USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 713 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 45 LYS NZ :NH3+ -127:sc= 1.25 (180deg=0.814) USER MOD Set 1.2: A 59 MET CE :methyl 174:sc= -0.901 (180deg=-0.947) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 2.39 (180deg=2.25) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.19) USER MOD Single : A 29 GLN : amide:sc= 0.343 X(o=0.34,f=-0.028) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -84:sc= 1.33 USER MOD Single : A 35 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.0059) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 148:sc= 1.27 (180deg=0.876) USER MOD Single : A 40 MET CE :methyl -119:sc= 0 (180deg=-0.482) USER MOD Single : A 41 THR OG1 : rot -101:sc= 0.0303 USER MOD Single : A 42 THR OG1 : rot 133:sc= -2.84! USER MOD Single : A 43 HIS : no HD1:sc= 0.0164 K(o=0.016,f=-0.62) USER MOD Single : A 46 LYS NZ :NH3+ 152:sc= 2.81 (180deg=1.85) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 2.36 (180deg=2.05) USER MOD Single : A 50 SER OG : rot 83:sc= 1.22 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 81:sc= -0.984! USER MOD Single : A 53 GLN : amide:sc= -0.0153 K(o=-0.015,f=-1.4) USER MOD Single : A 55 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.5) USER MOD Single : A 60 ASN : amide:sc= -0.0115 X(o=-0.012,f=0) USER MOD Single : A 61 SER OG : rot -78:sc= 1.31 USER MOD Single : A 69 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.8) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.539! C(o=-0.54!,f=-6.9!) USER MOD Single : A 76 THR OG1 : rot -63:sc= 1.2 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 150:sc= 1.28 USER MOD Single : A 92 GLN : amide:sc= 1.14 K(o=1.1,f=-0.00073) USER MOD Single : A 94 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.2!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00648 USER MOD Single : B 357 ASN : amide:sc= 0.922 K(o=0.92,f=-0.0015) USER MOD Single : B 358 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 2.147 5.814 9.909 1.00 10.00 N ATOM 2 CA TYR A 21 2.539 5.230 8.605 1.00 10.00 C ATOM 3 C TYR A 21 1.366 4.466 8.012 1.00 10.00 C ATOM 4 O TYR A 21 0.757 3.637 8.684 1.00 10.00 O ATOM 5 CB TYR A 21 3.739 4.287 8.767 1.00 10.00 C ATOM 6 CG TYR A 21 5.083 4.983 8.862 1.00 10.00 C ATOM 7 CD1 TYR A 21 6.064 4.769 7.901 1.00 10.00 C ATOM 8 CD2 TYR A 21 5.372 5.847 9.910 1.00 10.00 C ATOM 9 CE1 TYR A 21 7.294 5.396 7.984 1.00 10.00 C ATOM 10 CE2 TYR A 21 6.598 6.478 9.999 1.00 10.00 C ATOM 11 CZ TYR A 21 7.555 6.251 9.035 1.00 10.00 C ATOM 12 OH TYR A 21 8.775 6.881 9.124 1.00 10.00 O ATOM 0 HA TYR A 21 2.825 6.042 7.936 1.00 10.00 H new ATOM 0 HB2 TYR A 21 3.592 3.685 9.664 1.00 10.00 H new ATOM 0 HB3 TYR A 21 3.760 3.599 7.922 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.863 4.102 7.076 1.00 10.00 H new ATOM 0 HD2 TYR A 21 4.625 6.029 10.669 1.00 10.00 H new ATOM 0 HE1 TYR A 21 8.046 5.217 7.230 1.00 10.00 H new ATOM 0 HE2 TYR A 21 6.805 7.147 10.821 1.00 10.00 H new ATOM 0 HH TYR A 21 8.793 7.448 9.923 1.00 10.00 H new ATOM 22 N ILE A 22 1.056 4.746 6.755 1.00 10.00 N ATOM 23 CA ILE A 22 -0.054 4.087 6.080 1.00 10.00 C ATOM 24 C ILE A 22 0.305 2.645 5.743 1.00 10.00 C ATOM 25 O ILE A 22 1.181 2.387 4.918 1.00 10.00 O ATOM 26 CB ILE A 22 -0.455 4.833 4.785 1.00 10.00 C ATOM 27 CG1 ILE A 22 -0.876 6.273 5.100 1.00 10.00 C ATOM 28 CG2 ILE A 22 -1.577 4.096 4.064 1.00 10.00 C ATOM 29 CD1 ILE A 22 -2.156 6.380 5.900 1.00 10.00 C ATOM 0 H ILE A 22 1.557 5.425 6.181 1.00 10.00 H new ATOM 0 HA ILE A 22 -0.903 4.101 6.764 1.00 10.00 H new ATOM 0 HB ILE A 22 0.414 4.864 4.127 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -0.073 6.763 5.651 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.998 6.818 4.164 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -1.844 4.637 3.156 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.244 3.092 3.803 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.448 4.031 4.717 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -2.385 7.430 6.081 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.973 5.921 5.343 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -2.033 5.866 6.853 1.00 10.00 H new ATOM 41 N LYS A 23 -0.355 1.707 6.395 1.00 10.00 N ATOM 42 CA LYS A 23 -0.100 0.302 6.147 1.00 10.00 C ATOM 43 C LYS A 23 -1.129 -0.253 5.166 1.00 10.00 C ATOM 44 O LYS A 23 -2.269 -0.546 5.536 1.00 10.00 O ATOM 45 CB LYS A 23 -0.128 -0.479 7.460 1.00 10.00 C ATOM 46 CG LYS A 23 0.151 -1.963 7.302 1.00 10.00 C ATOM 47 CD LYS A 23 -0.365 -2.748 8.495 1.00 10.00 C ATOM 48 CE LYS A 23 -1.765 -3.294 8.251 1.00 10.00 C ATOM 49 NZ LYS A 23 -2.693 -2.261 7.716 1.00 10.00 N ATOM 0 H LYS A 23 -1.070 1.892 7.099 1.00 10.00 H new ATOM 0 HA LYS A 23 0.890 0.194 5.705 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.608 -0.052 8.141 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.105 -0.351 7.926 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.321 -2.330 6.390 1.00 10.00 H new ATOM 0 HG3 LYS A 23 1.223 -2.125 7.193 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.315 -3.573 8.708 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.374 -2.106 9.376 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.710 -4.127 7.550 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.165 -3.689 9.185 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.628 -2.686 7.551 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.782 -1.485 8.403 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.319 -1.889 6.820 1.00 10.00 H new ATOM 63 N LEU A 24 -0.718 -0.384 3.915 1.00 10.00 N ATOM 64 CA LEU A 24 -1.589 -0.895 2.864 1.00 10.00 C ATOM 65 C LEU A 24 -1.602 -2.417 2.880 1.00 10.00 C ATOM 66 O LEU A 24 -0.671 -3.047 3.391 1.00 10.00 O ATOM 67 CB LEU A 24 -1.114 -0.400 1.494 1.00 10.00 C ATOM 68 CG LEU A 24 -1.068 1.119 1.321 1.00 10.00 C ATOM 69 CD1 LEU A 24 -0.379 1.483 0.015 1.00 10.00 C ATOM 70 CD2 LEU A 24 -2.469 1.704 1.362 1.00 10.00 C ATOM 0 H LEU A 24 0.221 -0.142 3.599 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.599 -0.528 3.047 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -0.117 -0.799 1.309 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -1.771 -0.815 0.730 1.00 10.00 H new ATOM 0 HG LEU A 24 -0.495 1.542 2.146 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.354 2.567 -0.093 1.00 10.00 H new ATOM 0 HD12 LEU A 24 0.640 1.096 0.021 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -0.928 1.047 -0.820 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -2.415 2.786 1.237 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -3.066 1.275 0.557 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -2.932 1.472 2.321 1.00 10.00 H new ATOM 82 N LYS A 25 -2.653 -3.004 2.326 1.00 10.00 N ATOM 83 CA LYS A 25 -2.765 -4.451 2.274 1.00 10.00 C ATOM 84 C LYS A 25 -2.879 -4.930 0.833 1.00 10.00 C ATOM 85 O LYS A 25 -3.898 -4.715 0.172 1.00 10.00 O ATOM 86 CB LYS A 25 -3.970 -4.939 3.083 1.00 10.00 C ATOM 87 CG LYS A 25 -3.970 -6.446 3.304 1.00 10.00 C ATOM 88 CD LYS A 25 -5.136 -6.895 4.168 1.00 10.00 C ATOM 89 CE LYS A 25 -4.955 -8.337 4.617 1.00 10.00 C ATOM 90 NZ LYS A 25 -5.965 -8.755 5.623 1.00 10.00 N ATOM 0 H LYS A 25 -3.436 -2.502 1.908 1.00 10.00 H new ATOM 0 HA LYS A 25 -1.860 -4.870 2.715 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -3.979 -4.436 4.050 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -4.887 -4.653 2.567 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -4.016 -6.954 2.341 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -3.034 -6.743 3.776 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -5.219 -6.246 5.040 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -6.067 -6.798 3.609 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -5.019 -8.994 3.750 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -3.957 -8.460 5.037 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -5.755 -9.722 5.944 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -5.935 -8.106 6.435 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -6.912 -8.730 5.195 1.00 10.00 H new ATOM 104 N VAL A 26 -1.824 -5.564 0.347 1.00 10.00 N ATOM 105 CA VAL A 26 -1.814 -6.088 -1.010 1.00 10.00 C ATOM 106 C VAL A 26 -2.287 -7.531 -0.991 1.00 10.00 C ATOM 107 O VAL A 26 -1.787 -8.342 -0.208 1.00 10.00 O ATOM 108 CB VAL A 26 -0.413 -6.017 -1.661 1.00 10.00 C ATOM 109 CG1 VAL A 26 -0.515 -6.153 -3.173 1.00 10.00 C ATOM 110 CG2 VAL A 26 0.304 -4.727 -1.279 1.00 10.00 C ATOM 0 H VAL A 26 -0.964 -5.728 0.871 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.483 -5.468 -1.607 1.00 10.00 H new ATOM 0 HB VAL A 26 0.177 -6.852 -1.283 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.482 -6.100 -3.611 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -0.971 -7.111 -3.422 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -1.129 -5.345 -3.570 1.00 10.00 H new ATOM 0 HG21 VAL A 26 1.286 -4.703 -1.750 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.281 -3.872 -1.617 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.420 -4.682 -0.196 1.00 10.00 H new ATOM 120 N ILE A 27 -3.266 -7.842 -1.825 1.00 10.00 N ATOM 121 CA ILE A 27 -3.809 -9.189 -1.887 1.00 10.00 C ATOM 122 C ILE A 27 -3.369 -9.899 -3.162 1.00 10.00 C ATOM 123 O ILE A 27 -3.605 -9.414 -4.270 1.00 10.00 O ATOM 124 CB ILE A 27 -5.355 -9.184 -1.815 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.843 -8.418 -0.577 1.00 10.00 C ATOM 126 CG2 ILE A 27 -5.896 -10.607 -1.801 1.00 10.00 C ATOM 127 CD1 ILE A 27 -5.363 -9.001 0.740 1.00 10.00 C ATOM 0 H ILE A 27 -3.701 -7.180 -2.468 1.00 10.00 H new ATOM 0 HA ILE A 27 -3.419 -9.726 -1.022 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.731 -8.677 -2.703 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -5.508 -7.383 -0.648 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -6.933 -8.401 -0.579 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.985 -10.582 -1.750 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -5.587 -11.123 -2.710 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -5.504 -11.137 -0.933 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -5.750 -8.403 1.565 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.720 -10.026 0.836 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.273 -8.992 0.766 1.00 10.00 H new ATOM 139 N GLY A 28 -2.716 -11.037 -2.992 1.00 10.00 N ATOM 140 CA GLY A 28 -2.263 -11.813 -4.125 1.00 10.00 C ATOM 141 C GLY A 28 -3.184 -12.983 -4.409 1.00 10.00 C ATOM 142 O GLY A 28 -4.035 -13.327 -3.583 1.00 10.00 O ATOM 0 H GLY A 28 -2.490 -11.439 -2.082 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -2.207 -11.173 -5.005 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -1.255 -12.182 -3.934 1.00 10.00 H new ATOM 146 N GLN A 29 -3.002 -13.608 -5.570 1.00 10.00 N ATOM 147 CA GLN A 29 -3.816 -14.752 -5.982 1.00 10.00 C ATOM 148 C GLN A 29 -3.575 -15.955 -5.066 1.00 10.00 C ATOM 149 O GLN A 29 -4.365 -16.898 -5.030 1.00 10.00 O ATOM 150 CB GLN A 29 -3.493 -15.118 -7.440 1.00 10.00 C ATOM 151 CG GLN A 29 -4.320 -16.270 -7.995 1.00 10.00 C ATOM 152 CD GLN A 29 -5.805 -15.960 -8.043 1.00 10.00 C ATOM 153 OE1 GLN A 29 -6.305 -15.429 -9.034 1.00 10.00 O ATOM 154 NE2 GLN A 29 -6.518 -16.290 -6.976 1.00 10.00 N ATOM 0 H GLN A 29 -2.290 -13.339 -6.249 1.00 10.00 H new ATOM 0 HA GLN A 29 -4.868 -14.477 -5.904 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -3.649 -14.239 -8.066 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -2.437 -15.377 -7.512 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -3.971 -16.510 -8.999 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -4.158 -17.156 -7.381 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -6.064 -16.729 -6.175 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.521 -16.105 -6.956 1.00 10.00 H new ATOM 163 N ASP A 30 -2.491 -15.901 -4.311 1.00 10.00 N ATOM 164 CA ASP A 30 -2.123 -16.974 -3.397 1.00 10.00 C ATOM 165 C ASP A 30 -2.689 -16.730 -2.001 1.00 10.00 C ATOM 166 O ASP A 30 -2.227 -17.326 -1.024 1.00 10.00 O ATOM 167 CB ASP A 30 -0.598 -17.122 -3.336 1.00 10.00 C ATOM 168 CG ASP A 30 0.132 -15.828 -3.008 1.00 10.00 C ATOM 169 OD1 ASP A 30 -0.469 -14.740 -3.141 1.00 10.00 O ATOM 170 OD2 ASP A 30 1.324 -15.899 -2.642 1.00 10.00 O ATOM 0 H ASP A 30 -1.841 -15.115 -4.313 1.00 10.00 H new ATOM 0 HA ASP A 30 -2.553 -17.901 -3.776 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -0.345 -17.871 -2.586 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -0.240 -17.497 -4.295 1.00 10.00 H new ATOM 175 N SER A 31 -3.693 -15.855 -1.921 1.00 10.00 N ATOM 176 CA SER A 31 -4.347 -15.523 -0.656 1.00 10.00 C ATOM 177 C SER A 31 -3.338 -14.980 0.355 1.00 10.00 C ATOM 178 O SER A 31 -3.355 -15.337 1.535 1.00 10.00 O ATOM 179 CB SER A 31 -5.064 -16.753 -0.094 1.00 10.00 C ATOM 180 OG SER A 31 -5.803 -17.413 -1.109 1.00 10.00 O ATOM 0 H SER A 31 -4.073 -15.359 -2.727 1.00 10.00 H new ATOM 0 HA SER A 31 -5.085 -14.743 -0.845 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.335 -17.440 0.336 1.00 10.00 H new ATOM 0 HB3 SER A 31 -5.733 -16.453 0.712 1.00 10.00 H new ATOM 0 HG SER A 31 -6.252 -18.197 -0.729 1.00 10.00 H new ATOM 186 N SER A 32 -2.459 -14.120 -0.126 1.00 10.00 N ATOM 187 CA SER A 32 -1.437 -13.518 0.706 1.00 10.00 C ATOM 188 C SER A 32 -1.920 -12.207 1.316 1.00 10.00 C ATOM 189 O SER A 32 -2.756 -11.509 0.737 1.00 10.00 O ATOM 190 CB SER A 32 -0.184 -13.271 -0.133 1.00 10.00 C ATOM 191 OG SER A 32 -0.532 -12.800 -1.425 1.00 10.00 O ATOM 0 H SER A 32 -2.434 -13.821 -1.101 1.00 10.00 H new ATOM 0 HA SER A 32 -1.209 -14.203 1.523 1.00 10.00 H new ATOM 0 HB2 SER A 32 0.456 -12.543 0.365 1.00 10.00 H new ATOM 0 HB3 SER A 32 0.390 -14.194 -0.219 1.00 10.00 H new ATOM 0 HG SER A 32 -0.737 -13.562 -2.007 1.00 10.00 H new ATOM 197 N GLU A 33 -1.419 -11.892 2.501 1.00 10.00 N ATOM 198 CA GLU A 33 -1.768 -10.653 3.171 1.00 10.00 C ATOM 199 C GLU A 33 -0.516 -9.797 3.329 1.00 10.00 C ATOM 200 O GLU A 33 0.184 -9.876 4.340 1.00 10.00 O ATOM 201 CB GLU A 33 -2.402 -10.909 4.541 1.00 10.00 C ATOM 202 CG GLU A 33 -3.706 -11.690 4.490 1.00 10.00 C ATOM 203 CD GLU A 33 -4.266 -11.966 5.872 1.00 10.00 C ATOM 204 OE1 GLU A 33 -4.870 -11.045 6.469 1.00 10.00 O ATOM 205 OE2 GLU A 33 -4.108 -13.100 6.367 1.00 10.00 O ATOM 0 H GLU A 33 -0.767 -12.482 3.018 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.504 -10.130 2.561 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -1.690 -11.453 5.162 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.584 -9.951 5.029 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.439 -11.131 3.908 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -3.541 -12.635 3.972 1.00 10.00 H new ATOM 212 N ILE A 34 -0.218 -9.008 2.312 1.00 10.00 N ATOM 213 CA ILE A 34 0.958 -8.154 2.339 1.00 10.00 C ATOM 214 C ILE A 34 0.708 -6.900 3.168 1.00 10.00 C ATOM 215 O ILE A 34 -0.177 -6.105 2.849 1.00 10.00 O ATOM 216 CB ILE A 34 1.383 -7.734 0.918 1.00 10.00 C ATOM 217 CG1 ILE A 34 1.593 -8.962 0.020 1.00 10.00 C ATOM 218 CG2 ILE A 34 2.645 -6.883 0.967 1.00 10.00 C ATOM 219 CD1 ILE A 34 2.692 -9.896 0.487 1.00 10.00 C ATOM 0 H ILE A 34 -0.772 -8.940 1.458 1.00 10.00 H new ATOM 0 HA ILE A 34 1.759 -8.737 2.794 1.00 10.00 H new ATOM 0 HB ILE A 34 0.580 -7.136 0.488 1.00 10.00 H new ATOM 0 HG12 ILE A 34 0.658 -9.520 -0.037 1.00 10.00 H new ATOM 0 HG13 ILE A 34 1.825 -8.624 -0.990 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.930 -6.596 -0.045 1.00 10.00 H new ATOM 0 HG22 ILE A 34 2.457 -5.987 1.559 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.453 -7.456 1.423 1.00 10.00 H new ATOM 0 HD11 ILE A 34 2.773 -10.736 -0.203 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.639 -9.357 0.517 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.455 -10.267 1.484 1.00 10.00 H new ATOM 231 N HIS A 35 1.483 -6.735 4.230 1.00 10.00 N ATOM 232 CA HIS A 35 1.368 -5.567 5.088 1.00 10.00 C ATOM 233 C HIS A 35 2.498 -4.599 4.760 1.00 10.00 C ATOM 234 O HIS A 35 3.587 -4.671 5.337 1.00 10.00 O ATOM 235 CB HIS A 35 1.417 -5.965 6.570 1.00 10.00 C ATOM 236 CG HIS A 35 0.096 -6.411 7.125 1.00 10.00 C ATOM 237 ND1 HIS A 35 -0.065 -6.667 8.466 1.00 10.00 N ATOM 238 CD2 HIS A 35 -1.084 -6.623 6.491 1.00 10.00 C ATOM 239 CE1 HIS A 35 -1.328 -7.023 8.619 1.00 10.00 C ATOM 240 NE2 HIS A 35 -1.987 -7.010 7.451 1.00 10.00 N ATOM 0 H HIS A 35 2.201 -7.399 4.518 1.00 10.00 H new ATOM 0 HA HIS A 35 0.407 -5.085 4.908 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.143 -6.768 6.696 1.00 10.00 H new ATOM 0 HB3 HIS A 35 1.776 -5.116 7.152 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -1.277 -6.509 5.434 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -1.774 -7.291 9.566 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -2.969 -7.243 7.304 1.00 10.00 H new ATOM 248 N PHE A 36 2.241 -3.712 3.812 1.00 10.00 N ATOM 249 CA PHE A 36 3.241 -2.746 3.387 1.00 10.00 C ATOM 250 C PHE A 36 3.115 -1.455 4.176 1.00 10.00 C ATOM 251 O PHE A 36 2.103 -0.758 4.091 1.00 10.00 O ATOM 252 CB PHE A 36 3.105 -2.460 1.887 1.00 10.00 C ATOM 253 CG PHE A 36 4.423 -2.310 1.175 1.00 10.00 C ATOM 254 CD1 PHE A 36 5.500 -1.694 1.796 1.00 10.00 C ATOM 255 CD2 PHE A 36 4.584 -2.784 -0.116 1.00 10.00 C ATOM 256 CE1 PHE A 36 6.710 -1.557 1.144 1.00 10.00 C ATOM 257 CE2 PHE A 36 5.793 -2.649 -0.774 1.00 10.00 C ATOM 258 CZ PHE A 36 6.856 -2.036 -0.143 1.00 10.00 C ATOM 0 H PHE A 36 1.349 -3.641 3.323 1.00 10.00 H new ATOM 0 HA PHE A 36 4.226 -3.173 3.578 1.00 10.00 H new ATOM 0 HB2 PHE A 36 2.542 -3.269 1.422 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.524 -1.548 1.752 1.00 10.00 H new ATOM 0 HD1 PHE A 36 5.391 -1.317 2.802 1.00 10.00 H new ATOM 0 HD2 PHE A 36 3.756 -3.265 -0.615 1.00 10.00 H new ATOM 0 HE1 PHE A 36 7.540 -1.076 1.640 1.00 10.00 H new ATOM 0 HE2 PHE A 36 5.905 -3.023 -1.781 1.00 10.00 H new ATOM 0 HZ PHE A 36 7.801 -1.931 -0.655 1.00 10.00 H new ATOM 268 N LYS A 37 4.144 -1.141 4.942 1.00 10.00 N ATOM 269 CA LYS A 37 4.158 0.066 5.743 1.00 10.00 C ATOM 270 C LYS A 37 4.767 1.207 4.937 1.00 10.00 C ATOM 271 O LYS A 37 5.989 1.327 4.841 1.00 10.00 O ATOM 272 CB LYS A 37 4.954 -0.167 7.029 1.00 10.00 C ATOM 273 CG LYS A 37 4.856 0.978 8.022 1.00 10.00 C ATOM 274 CD LYS A 37 5.735 0.739 9.242 1.00 10.00 C ATOM 275 CE LYS A 37 5.199 -0.385 10.116 1.00 10.00 C ATOM 276 NZ LYS A 37 6.053 -0.616 11.313 1.00 10.00 N ATOM 0 H LYS A 37 4.986 -1.711 5.025 1.00 10.00 H new ATOM 0 HA LYS A 37 3.136 0.332 6.014 1.00 10.00 H new ATOM 0 HB2 LYS A 37 4.599 -1.081 7.505 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.002 -0.327 6.774 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.152 1.908 7.536 1.00 10.00 H new ATOM 0 HG3 LYS A 37 3.820 1.099 8.338 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.747 0.496 8.918 1.00 10.00 H new ATOM 0 HD3 LYS A 37 5.799 1.656 9.828 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.185 -0.144 10.435 1.00 10.00 H new ATOM 0 HE3 LYS A 37 5.139 -1.303 9.531 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 5.652 -1.390 11.881 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 7.014 -0.871 11.009 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 6.090 0.251 11.886 1.00 10.00 H new ATOM 290 N VAL A 38 3.912 2.028 4.347 1.00 10.00 N ATOM 291 CA VAL A 38 4.367 3.151 3.539 1.00 10.00 C ATOM 292 C VAL A 38 4.282 4.453 4.332 1.00 10.00 C ATOM 293 O VAL A 38 3.714 4.492 5.426 1.00 10.00 O ATOM 294 CB VAL A 38 3.559 3.278 2.221 1.00 10.00 C ATOM 295 CG1 VAL A 38 3.364 1.912 1.577 1.00 10.00 C ATOM 296 CG2 VAL A 38 2.213 3.955 2.452 1.00 10.00 C ATOM 0 H VAL A 38 2.898 1.938 4.412 1.00 10.00 H new ATOM 0 HA VAL A 38 5.407 2.960 3.276 1.00 10.00 H new ATOM 0 HB VAL A 38 4.135 3.906 1.542 1.00 10.00 H new ATOM 0 HG11 VAL A 38 2.795 2.023 0.654 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.336 1.473 1.353 1.00 10.00 H new ATOM 0 HG13 VAL A 38 2.821 1.261 2.262 1.00 10.00 H new ATOM 0 HG21 VAL A 38 1.675 4.027 1.507 1.00 10.00 H new ATOM 0 HG22 VAL A 38 1.627 3.368 3.160 1.00 10.00 H new ATOM 0 HG23 VAL A 38 2.373 4.955 2.855 1.00 10.00 H new ATOM 306 N LYS A 39 4.848 5.514 3.781 1.00 10.00 N ATOM 307 CA LYS A 39 4.839 6.808 4.440 1.00 10.00 C ATOM 308 C LYS A 39 4.181 7.854 3.548 1.00 10.00 C ATOM 309 O LYS A 39 4.371 7.852 2.329 1.00 10.00 O ATOM 310 CB LYS A 39 6.270 7.224 4.783 1.00 10.00 C ATOM 311 CG LYS A 39 6.362 8.224 5.924 1.00 10.00 C ATOM 312 CD LYS A 39 7.801 8.619 6.202 1.00 10.00 C ATOM 313 CE LYS A 39 7.875 9.857 7.079 1.00 10.00 C ATOM 314 NZ LYS A 39 9.208 10.507 7.004 1.00 10.00 N ATOM 0 H LYS A 39 5.320 5.504 2.877 1.00 10.00 H new ATOM 0 HA LYS A 39 4.262 6.732 5.362 1.00 10.00 H new ATOM 0 HB2 LYS A 39 6.844 6.335 5.044 1.00 10.00 H new ATOM 0 HB3 LYS A 39 6.736 7.655 3.896 1.00 10.00 H new ATOM 0 HG2 LYS A 39 5.781 9.113 5.678 1.00 10.00 H new ATOM 0 HG3 LYS A 39 5.921 7.793 6.823 1.00 10.00 H new ATOM 0 HD2 LYS A 39 8.319 7.794 6.690 1.00 10.00 H new ATOM 0 HD3 LYS A 39 8.317 8.807 5.260 1.00 10.00 H new ATOM 0 HE2 LYS A 39 7.107 10.567 6.772 1.00 10.00 H new ATOM 0 HE3 LYS A 39 7.661 9.584 8.112 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 9.100 11.535 7.123 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 9.819 10.133 7.758 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 9.639 10.309 6.079 1.00 10.00 H new ATOM 328 N MET A 40 3.406 8.741 4.157 1.00 10.00 N ATOM 329 CA MET A 40 2.714 9.791 3.421 1.00 10.00 C ATOM 330 C MET A 40 3.672 10.940 3.095 1.00 10.00 C ATOM 331 O MET A 40 3.645 11.989 3.739 1.00 10.00 O ATOM 332 CB MET A 40 1.515 10.302 4.230 1.00 10.00 C ATOM 333 CG MET A 40 0.652 11.315 3.491 1.00 10.00 C ATOM 334 SD MET A 40 -0.172 10.617 2.046 1.00 10.00 S ATOM 335 CE MET A 40 -1.415 9.586 2.823 1.00 10.00 C ATOM 0 H MET A 40 3.240 8.754 5.163 1.00 10.00 H new ATOM 0 HA MET A 40 2.349 9.375 2.482 1.00 10.00 H new ATOM 0 HB2 MET A 40 0.895 9.452 4.516 1.00 10.00 H new ATOM 0 HB3 MET A 40 1.879 10.755 5.152 1.00 10.00 H new ATOM 0 HG2 MET A 40 -0.099 11.712 4.174 1.00 10.00 H new ATOM 0 HG3 MET A 40 1.273 12.154 3.178 1.00 10.00 H new ATOM 0 HE1 MET A 40 -1.256 8.546 2.537 1.00 10.00 H new ATOM 0 HE2 MET A 40 -1.340 9.680 3.906 1.00 10.00 H new ATOM 0 HE3 MET A 40 -2.406 9.904 2.499 1.00 10.00 H new ATOM 345 N THR A 41 4.542 10.707 2.113 1.00 10.00 N ATOM 346 CA THR A 41 5.523 11.699 1.675 1.00 10.00 C ATOM 347 C THR A 41 6.324 11.167 0.486 1.00 10.00 C ATOM 348 O THR A 41 6.586 11.891 -0.477 1.00 10.00 O ATOM 349 CB THR A 41 6.492 12.110 2.820 1.00 10.00 C ATOM 350 OG1 THR A 41 7.659 12.762 2.297 1.00 10.00 O ATOM 351 CG2 THR A 41 6.920 10.910 3.646 1.00 10.00 C ATOM 0 H THR A 41 4.587 9.827 1.599 1.00 10.00 H new ATOM 0 HA THR A 41 4.968 12.588 1.374 1.00 10.00 H new ATOM 0 HB THR A 41 5.948 12.803 3.462 1.00 10.00 H new ATOM 0 HG1 THR A 41 8.407 12.129 2.279 1.00 10.00 H new ATOM 0 HG21 THR A 41 7.596 11.235 4.436 1.00 10.00 H new ATOM 0 HG22 THR A 41 6.041 10.442 4.090 1.00 10.00 H new ATOM 0 HG23 THR A 41 7.430 10.190 3.005 1.00 10.00 H new ATOM 359 N THR A 42 6.700 9.899 0.561 1.00 10.00 N ATOM 360 CA THR A 42 7.461 9.256 -0.494 1.00 10.00 C ATOM 361 C THR A 42 6.560 8.904 -1.673 1.00 10.00 C ATOM 362 O THR A 42 5.376 8.606 -1.497 1.00 10.00 O ATOM 363 CB THR A 42 8.114 7.977 0.040 1.00 10.00 C ATOM 364 OG1 THR A 42 8.123 8.028 1.468 1.00 10.00 O ATOM 365 CG2 THR A 42 9.535 7.827 -0.482 1.00 10.00 C ATOM 0 H THR A 42 6.486 9.291 1.352 1.00 10.00 H new ATOM 0 HA THR A 42 8.230 9.951 -0.832 1.00 10.00 H new ATOM 0 HB THR A 42 7.540 7.116 -0.303 1.00 10.00 H new ATOM 0 HG1 THR A 42 7.802 7.175 1.828 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.973 6.911 -0.086 1.00 10.00 H new ATOM 0 HG22 THR A 42 9.520 7.781 -1.571 1.00 10.00 H new ATOM 0 HG23 THR A 42 10.132 8.682 -0.163 1.00 10.00 H new ATOM 373 N HIS A 43 7.119 8.952 -2.868 1.00 10.00 N ATOM 374 CA HIS A 43 6.375 8.627 -4.075 1.00 10.00 C ATOM 375 C HIS A 43 6.204 7.119 -4.177 1.00 10.00 C ATOM 376 O HIS A 43 7.030 6.358 -3.668 1.00 10.00 O ATOM 377 CB HIS A 43 7.105 9.158 -5.315 1.00 10.00 C ATOM 378 CG HIS A 43 7.797 10.465 -5.082 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.130 10.516 -4.757 1.00 10.00 N ATOM 380 CD2 HIS A 43 7.298 11.725 -5.102 1.00 10.00 C ATOM 381 CE1 HIS A 43 9.412 11.793 -4.580 1.00 10.00 C ATOM 382 NE2 HIS A 43 8.335 12.564 -4.779 1.00 10.00 N ATOM 0 H HIS A 43 8.091 9.214 -3.031 1.00 10.00 H new ATOM 0 HA HIS A 43 5.394 9.100 -4.024 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.838 8.420 -5.640 1.00 10.00 H new ATOM 0 HB3 HIS A 43 6.388 9.274 -6.128 1.00 10.00 H new ATOM 0 HD2 HIS A 43 6.282 12.013 -5.328 1.00 10.00 H new ATOM 0 HE1 HIS A 43 10.388 12.169 -4.309 1.00 10.00 H new ATOM 0 HE2 HIS A 43 8.293 13.580 -4.705 1.00 10.00 H new ATOM 390 N LEU A 44 5.149 6.686 -4.853 1.00 10.00 N ATOM 391 CA LEU A 44 4.874 5.263 -5.007 1.00 10.00 C ATOM 392 C LEU A 44 5.894 4.597 -5.926 1.00 10.00 C ATOM 393 O LEU A 44 5.887 3.380 -6.095 1.00 10.00 O ATOM 394 CB LEU A 44 3.449 5.048 -5.519 1.00 10.00 C ATOM 395 CG LEU A 44 2.355 5.277 -4.470 1.00 10.00 C ATOM 396 CD1 LEU A 44 0.993 5.388 -5.133 1.00 10.00 C ATOM 397 CD2 LEU A 44 2.357 4.152 -3.447 1.00 10.00 C ATOM 0 H LEU A 44 4.469 7.299 -5.304 1.00 10.00 H new ATOM 0 HA LEU A 44 4.962 4.793 -4.028 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.274 5.718 -6.360 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.363 4.030 -5.899 1.00 10.00 H new ATOM 0 HG LEU A 44 2.564 6.215 -3.955 1.00 10.00 H new ATOM 0 HD11 LEU A 44 0.230 5.550 -4.372 1.00 10.00 H new ATOM 0 HD12 LEU A 44 0.995 6.226 -5.830 1.00 10.00 H new ATOM 0 HD13 LEU A 44 0.776 4.467 -5.674 1.00 10.00 H new ATOM 0 HD21 LEU A 44 1.575 4.330 -2.709 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.173 3.203 -3.950 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.325 4.116 -2.947 1.00 10.00 H new ATOM 409 N LYS A 45 6.779 5.405 -6.507 1.00 10.00 N ATOM 410 CA LYS A 45 7.831 4.900 -7.380 1.00 10.00 C ATOM 411 C LYS A 45 8.734 3.958 -6.593 1.00 10.00 C ATOM 412 O LYS A 45 9.011 2.833 -7.018 1.00 10.00 O ATOM 413 CB LYS A 45 8.656 6.068 -7.940 1.00 10.00 C ATOM 414 CG LYS A 45 9.922 5.639 -8.669 1.00 10.00 C ATOM 415 CD LYS A 45 9.618 5.093 -10.052 1.00 10.00 C ATOM 416 CE LYS A 45 10.864 4.524 -10.711 1.00 10.00 C ATOM 417 NZ LYS A 45 10.592 4.046 -12.090 1.00 10.00 N ATOM 0 H LYS A 45 6.786 6.418 -6.386 1.00 10.00 H new ATOM 0 HA LYS A 45 7.379 4.359 -8.211 1.00 10.00 H new ATOM 0 HB2 LYS A 45 8.033 6.644 -8.624 1.00 10.00 H new ATOM 0 HB3 LYS A 45 8.929 6.733 -7.120 1.00 10.00 H new ATOM 0 HG2 LYS A 45 10.598 6.490 -8.755 1.00 10.00 H new ATOM 0 HG3 LYS A 45 10.439 4.879 -8.083 1.00 10.00 H new ATOM 0 HD2 LYS A 45 8.857 4.316 -9.979 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.205 5.886 -10.675 1.00 10.00 H new ATOM 0 HE2 LYS A 45 11.641 5.288 -10.738 1.00 10.00 H new ATOM 0 HE3 LYS A 45 11.248 3.700 -10.110 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 10.917 3.063 -12.187 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.570 4.093 -12.278 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 11.098 4.647 -12.772 1.00 10.00 H new ATOM 431 N LYS A 46 9.157 4.424 -5.420 1.00 10.00 N ATOM 432 CA LYS A 46 10.019 3.650 -4.539 1.00 10.00 C ATOM 433 C LYS A 46 9.304 2.381 -4.081 1.00 10.00 C ATOM 434 O LYS A 46 9.915 1.326 -3.922 1.00 10.00 O ATOM 435 CB LYS A 46 10.423 4.500 -3.327 1.00 10.00 C ATOM 436 CG LYS A 46 11.353 3.791 -2.352 1.00 10.00 C ATOM 437 CD LYS A 46 12.798 3.806 -2.836 1.00 10.00 C ATOM 438 CE LYS A 46 13.520 5.084 -2.426 1.00 10.00 C ATOM 439 NZ LYS A 46 13.846 5.106 -0.973 1.00 10.00 N ATOM 0 H LYS A 46 8.911 5.345 -5.057 1.00 10.00 H new ATOM 0 HA LYS A 46 10.918 3.363 -5.085 1.00 10.00 H new ATOM 0 HB2 LYS A 46 10.909 5.409 -3.680 1.00 10.00 H new ATOM 0 HB3 LYS A 46 9.522 4.807 -2.795 1.00 10.00 H new ATOM 0 HG2 LYS A 46 11.292 4.272 -1.376 1.00 10.00 H new ATOM 0 HG3 LYS A 46 11.024 2.760 -2.220 1.00 10.00 H new ATOM 0 HD2 LYS A 46 13.326 2.944 -2.429 1.00 10.00 H new ATOM 0 HD3 LYS A 46 12.819 3.709 -3.922 1.00 10.00 H new ATOM 0 HE2 LYS A 46 14.439 5.181 -3.004 1.00 10.00 H new ATOM 0 HE3 LYS A 46 12.897 5.945 -2.670 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 14.692 5.690 -0.816 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 13.046 5.507 -0.444 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 14.028 4.137 -0.643 1.00 10.00 H new ATOM 453 N LEU A 47 7.999 2.496 -3.886 1.00 10.00 N ATOM 454 CA LEU A 47 7.184 1.372 -3.446 1.00 10.00 C ATOM 455 C LEU A 47 7.098 0.301 -4.529 1.00 10.00 C ATOM 456 O LEU A 47 7.288 -0.887 -4.257 1.00 10.00 O ATOM 457 CB LEU A 47 5.770 1.847 -3.081 1.00 10.00 C ATOM 458 CG LEU A 47 5.595 2.434 -1.675 1.00 10.00 C ATOM 459 CD1 LEU A 47 6.093 1.462 -0.623 1.00 10.00 C ATOM 460 CD2 LEU A 47 6.307 3.772 -1.545 1.00 10.00 C ATOM 0 H LEU A 47 7.478 3.362 -4.026 1.00 10.00 H new ATOM 0 HA LEU A 47 7.659 0.941 -2.565 1.00 10.00 H new ATOM 0 HB2 LEU A 47 5.463 2.600 -3.807 1.00 10.00 H new ATOM 0 HB3 LEU A 47 5.087 1.004 -3.188 1.00 10.00 H new ATOM 0 HG LEU A 47 4.530 2.603 -1.514 1.00 10.00 H new ATOM 0 HD11 LEU A 47 5.960 1.898 0.367 1.00 10.00 H new ATOM 0 HD12 LEU A 47 5.527 0.533 -0.690 1.00 10.00 H new ATOM 0 HD13 LEU A 47 7.150 1.256 -0.789 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.165 4.163 -0.538 1.00 10.00 H new ATOM 0 HD22 LEU A 47 7.372 3.638 -1.735 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.895 4.475 -2.269 1.00 10.00 H new ATOM 472 N LYS A 48 6.825 0.734 -5.757 1.00 10.00 N ATOM 473 CA LYS A 48 6.693 -0.179 -6.889 1.00 10.00 C ATOM 474 C LYS A 48 7.975 -0.967 -7.144 1.00 10.00 C ATOM 475 O LYS A 48 7.925 -2.179 -7.365 1.00 10.00 O ATOM 476 CB LYS A 48 6.291 0.587 -8.155 1.00 10.00 C ATOM 477 CG LYS A 48 4.863 1.114 -8.128 1.00 10.00 C ATOM 478 CD LYS A 48 4.512 1.855 -9.411 1.00 10.00 C ATOM 479 CE LYS A 48 4.299 0.901 -10.577 1.00 10.00 C ATOM 480 NZ LYS A 48 3.892 1.614 -11.814 1.00 10.00 N ATOM 0 H LYS A 48 6.690 1.717 -5.994 1.00 10.00 H new ATOM 0 HA LYS A 48 5.909 -0.893 -6.634 1.00 10.00 H new ATOM 0 HB2 LYS A 48 6.975 1.424 -8.294 1.00 10.00 H new ATOM 0 HB3 LYS A 48 6.410 -0.068 -9.018 1.00 10.00 H new ATOM 0 HG2 LYS A 48 4.171 0.284 -7.986 1.00 10.00 H new ATOM 0 HG3 LYS A 48 4.738 1.782 -7.276 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.608 2.444 -9.254 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.311 2.555 -9.656 1.00 10.00 H new ATOM 0 HE2 LYS A 48 5.219 0.347 -10.764 1.00 10.00 H new ATOM 0 HE3 LYS A 48 3.535 0.170 -10.312 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 3.906 0.953 -12.616 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 2.931 1.995 -11.695 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.554 2.395 -11.998 1.00 10.00 H new ATOM 494 N GLU A 49 9.121 -0.295 -7.102 1.00 10.00 N ATOM 495 CA GLU A 49 10.392 -0.962 -7.360 1.00 10.00 C ATOM 496 C GLU A 49 10.776 -1.906 -6.219 1.00 10.00 C ATOM 497 O GLU A 49 11.229 -3.024 -6.459 1.00 10.00 O ATOM 498 CB GLU A 49 11.509 0.056 -7.618 1.00 10.00 C ATOM 499 CG GLU A 49 11.746 1.038 -6.483 1.00 10.00 C ATOM 500 CD GLU A 49 12.958 1.915 -6.718 1.00 10.00 C ATOM 501 OE1 GLU A 49 14.044 1.370 -7.006 1.00 10.00 O ATOM 502 OE2 GLU A 49 12.834 3.155 -6.612 1.00 10.00 O ATOM 0 H GLU A 49 9.196 0.701 -6.894 1.00 10.00 H new ATOM 0 HA GLU A 49 10.263 -1.563 -8.260 1.00 10.00 H new ATOM 0 HB2 GLU A 49 12.436 -0.483 -7.813 1.00 10.00 H new ATOM 0 HB3 GLU A 49 11.270 0.617 -8.522 1.00 10.00 H new ATOM 0 HG2 GLU A 49 10.864 1.667 -6.361 1.00 10.00 H new ATOM 0 HG3 GLU A 49 11.875 0.487 -5.551 1.00 10.00 H new ATOM 509 N SER A 50 10.571 -1.466 -4.982 1.00 10.00 N ATOM 510 CA SER A 50 10.908 -2.283 -3.822 1.00 10.00 C ATOM 511 C SER A 50 10.053 -3.547 -3.769 1.00 10.00 C ATOM 512 O SER A 50 10.511 -4.598 -3.317 1.00 10.00 O ATOM 513 CB SER A 50 10.749 -1.471 -2.537 1.00 10.00 C ATOM 514 OG SER A 50 11.538 -0.292 -2.585 1.00 10.00 O ATOM 0 H SER A 50 10.175 -0.553 -4.757 1.00 10.00 H new ATOM 0 HA SER A 50 11.950 -2.590 -3.915 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.701 -1.207 -2.396 1.00 10.00 H new ATOM 0 HB3 SER A 50 11.044 -2.077 -1.680 1.00 10.00 H new ATOM 0 HG SER A 50 11.056 0.404 -3.079 1.00 10.00 H new ATOM 520 N TYR A 51 8.815 -3.449 -4.245 1.00 10.00 N ATOM 521 CA TYR A 51 7.915 -4.596 -4.254 1.00 10.00 C ATOM 522 C TYR A 51 8.399 -5.638 -5.255 1.00 10.00 C ATOM 523 O TYR A 51 8.270 -6.842 -5.026 1.00 10.00 O ATOM 524 CB TYR A 51 6.485 -4.170 -4.596 1.00 10.00 C ATOM 525 CG TYR A 51 5.468 -5.267 -4.375 1.00 10.00 C ATOM 526 CD1 TYR A 51 4.964 -5.527 -3.106 1.00 10.00 C ATOM 527 CD2 TYR A 51 5.014 -6.048 -5.432 1.00 10.00 C ATOM 528 CE1 TYR A 51 4.038 -6.528 -2.897 1.00 10.00 C ATOM 529 CE2 TYR A 51 4.087 -7.052 -5.230 1.00 10.00 C ATOM 530 CZ TYR A 51 3.603 -7.288 -3.962 1.00 10.00 C ATOM 531 OH TYR A 51 2.680 -8.285 -3.756 1.00 10.00 O ATOM 0 H TYR A 51 8.415 -2.592 -4.627 1.00 10.00 H new ATOM 0 HA TYR A 51 7.914 -5.032 -3.255 1.00 10.00 H new ATOM 0 HB2 TYR A 51 6.215 -3.306 -3.989 1.00 10.00 H new ATOM 0 HB3 TYR A 51 6.447 -3.852 -5.638 1.00 10.00 H new ATOM 0 HD1 TYR A 51 5.303 -4.935 -2.269 1.00 10.00 H new ATOM 0 HD2 TYR A 51 5.392 -5.867 -6.427 1.00 10.00 H new ATOM 0 HE1 TYR A 51 3.656 -6.715 -1.904 1.00 10.00 H new ATOM 0 HE2 TYR A 51 3.743 -7.649 -6.062 1.00 10.00 H new ATOM 0 HH TYR A 51 2.478 -8.725 -4.608 1.00 10.00 H new ATOM 541 N CYS A 52 8.968 -5.170 -6.360 1.00 10.00 N ATOM 542 CA CYS A 52 9.487 -6.061 -7.386 1.00 10.00 C ATOM 543 C CYS A 52 10.616 -6.914 -6.812 1.00 10.00 C ATOM 544 O CYS A 52 10.707 -8.114 -7.077 1.00 10.00 O ATOM 545 CB CYS A 52 9.982 -5.254 -8.590 1.00 10.00 C ATOM 546 SG CYS A 52 8.709 -4.231 -9.371 1.00 10.00 S ATOM 0 H CYS A 52 9.081 -4.178 -6.567 1.00 10.00 H new ATOM 0 HA CYS A 52 8.686 -6.720 -7.721 1.00 10.00 H new ATOM 0 HB2 CYS A 52 10.803 -4.612 -8.270 1.00 10.00 H new ATOM 0 HB3 CYS A 52 10.386 -5.942 -9.333 1.00 10.00 H new ATOM 0 HG CYS A 52 8.563 -3.130 -8.696 1.00 10.00 H new ATOM 552 N GLN A 53 11.453 -6.288 -5.989 1.00 10.00 N ATOM 553 CA GLN A 53 12.568 -6.979 -5.353 1.00 10.00 C ATOM 554 C GLN A 53 12.054 -8.005 -4.352 1.00 10.00 C ATOM 555 O GLN A 53 12.675 -9.043 -4.135 1.00 10.00 O ATOM 556 CB GLN A 53 13.478 -5.982 -4.637 1.00 10.00 C ATOM 557 CG GLN A 53 13.924 -4.818 -5.506 1.00 10.00 C ATOM 558 CD GLN A 53 14.609 -3.729 -4.707 1.00 10.00 C ATOM 559 OE1 GLN A 53 14.326 -3.539 -3.523 1.00 10.00 O ATOM 560 NE2 GLN A 53 15.514 -3.006 -5.346 1.00 10.00 N ATOM 0 H GLN A 53 11.379 -5.300 -5.747 1.00 10.00 H new ATOM 0 HA GLN A 53 13.139 -7.489 -6.129 1.00 10.00 H new ATOM 0 HB2 GLN A 53 12.956 -5.591 -3.764 1.00 10.00 H new ATOM 0 HB3 GLN A 53 14.360 -6.508 -4.272 1.00 10.00 H new ATOM 0 HG2 GLN A 53 14.604 -5.183 -6.275 1.00 10.00 H new ATOM 0 HG3 GLN A 53 13.058 -4.399 -6.019 1.00 10.00 H new ATOM 0 HE21 GLN A 53 15.719 -3.196 -6.327 1.00 10.00 H new ATOM 0 HE22 GLN A 53 16.007 -2.258 -4.858 1.00 10.00 H new ATOM 569 N ARG A 54 10.903 -7.712 -3.757 1.00 10.00 N ATOM 570 CA ARG A 54 10.298 -8.601 -2.773 1.00 10.00 C ATOM 571 C ARG A 54 9.814 -9.894 -3.421 1.00 10.00 C ATOM 572 O ARG A 54 9.791 -10.949 -2.785 1.00 10.00 O ATOM 573 CB ARG A 54 9.126 -7.903 -2.075 1.00 10.00 C ATOM 574 CG ARG A 54 8.678 -8.597 -0.799 1.00 10.00 C ATOM 575 CD ARG A 54 9.779 -8.580 0.247 1.00 10.00 C ATOM 576 NE ARG A 54 9.269 -8.811 1.595 1.00 10.00 N ATOM 577 CZ ARG A 54 9.955 -8.540 2.701 1.00 10.00 C ATOM 578 NH1 ARG A 54 11.196 -8.073 2.622 1.00 10.00 N ATOM 579 NH2 ARG A 54 9.406 -8.757 3.887 1.00 10.00 N ATOM 0 H ARG A 54 10.369 -6.863 -3.940 1.00 10.00 H new ATOM 0 HA ARG A 54 11.061 -8.850 -2.036 1.00 10.00 H new ATOM 0 HB2 ARG A 54 9.412 -6.878 -1.840 1.00 10.00 H new ATOM 0 HB3 ARG A 54 8.283 -7.849 -2.764 1.00 10.00 H new ATOM 0 HG2 ARG A 54 7.790 -8.103 -0.405 1.00 10.00 H new ATOM 0 HG3 ARG A 54 8.398 -9.627 -1.020 1.00 10.00 H new ATOM 0 HD2 ARG A 54 10.518 -9.344 0.005 1.00 10.00 H new ATOM 0 HD3 ARG A 54 10.292 -7.619 0.215 1.00 10.00 H new ATOM 0 HE ARG A 54 8.332 -9.203 1.694 1.00 10.00 H new ATOM 0 HH11 ARG A 54 11.627 -7.921 1.710 1.00 10.00 H new ATOM 0 HH12 ARG A 54 11.718 -7.867 3.473 1.00 10.00 H new ATOM 0 HH21 ARG A 54 8.459 -9.131 3.950 1.00 10.00 H new ATOM 0 HH22 ARG A 54 9.930 -8.550 4.737 1.00 10.00 H new ATOM 593 N GLN A 55 9.429 -9.808 -4.687 1.00 10.00 N ATOM 594 CA GLN A 55 8.943 -10.975 -5.410 1.00 10.00 C ATOM 595 C GLN A 55 10.041 -11.589 -6.275 1.00 10.00 C ATOM 596 O GLN A 55 9.843 -12.636 -6.891 1.00 10.00 O ATOM 597 CB GLN A 55 7.736 -10.606 -6.274 1.00 10.00 C ATOM 598 CG GLN A 55 6.448 -10.432 -5.483 1.00 10.00 C ATOM 599 CD GLN A 55 6.134 -11.629 -4.604 1.00 10.00 C ATOM 600 OE1 GLN A 55 6.488 -11.658 -3.427 1.00 10.00 O ATOM 601 NE2 GLN A 55 5.476 -12.630 -5.170 1.00 10.00 N ATOM 0 H GLN A 55 9.444 -8.946 -5.233 1.00 10.00 H new ATOM 0 HA GLN A 55 8.637 -11.718 -4.673 1.00 10.00 H new ATOM 0 HB2 GLN A 55 7.952 -9.681 -6.808 1.00 10.00 H new ATOM 0 HB3 GLN A 55 7.588 -11.381 -7.026 1.00 10.00 H new ATOM 0 HG2 GLN A 55 6.526 -9.540 -4.861 1.00 10.00 H new ATOM 0 HG3 GLN A 55 5.621 -10.267 -6.174 1.00 10.00 H new ATOM 0 HE21 GLN A 55 5.199 -12.569 -6.150 1.00 10.00 H new ATOM 0 HE22 GLN A 55 5.246 -13.462 -4.626 1.00 10.00 H new ATOM 610 N GLY A 56 11.194 -10.933 -6.318 1.00 10.00 N ATOM 611 CA GLY A 56 12.305 -11.431 -7.107 1.00 10.00 C ATOM 612 C GLY A 56 12.072 -11.282 -8.598 1.00 10.00 C ATOM 613 O GLY A 56 12.452 -12.151 -9.385 1.00 10.00 O ATOM 0 H GLY A 56 11.380 -10.063 -5.819 1.00 10.00 H new ATOM 0 HA2 GLY A 56 13.213 -10.895 -6.829 1.00 10.00 H new ATOM 0 HA3 GLY A 56 12.471 -12.482 -6.872 1.00 10.00 H new ATOM 617 N VAL A 57 11.435 -10.186 -8.983 1.00 10.00 N ATOM 618 CA VAL A 57 11.145 -9.911 -10.384 1.00 10.00 C ATOM 619 C VAL A 57 11.581 -8.495 -10.740 1.00 10.00 C ATOM 620 O VAL A 57 11.636 -7.633 -9.867 1.00 10.00 O ATOM 621 CB VAL A 57 9.638 -10.075 -10.703 1.00 10.00 C ATOM 622 CG1 VAL A 57 9.232 -11.541 -10.676 1.00 10.00 C ATOM 623 CG2 VAL A 57 8.787 -9.266 -9.733 1.00 10.00 C ATOM 0 H VAL A 57 11.106 -9.466 -8.339 1.00 10.00 H new ATOM 0 HA VAL A 57 11.701 -10.635 -10.980 1.00 10.00 H new ATOM 0 HB VAL A 57 9.466 -9.693 -11.709 1.00 10.00 H new ATOM 0 HG11 VAL A 57 8.170 -11.629 -10.903 1.00 10.00 H new ATOM 0 HG12 VAL A 57 9.809 -12.092 -11.419 1.00 10.00 H new ATOM 0 HG13 VAL A 57 9.427 -11.954 -9.686 1.00 10.00 H new ATOM 0 HG21 VAL A 57 7.733 -9.397 -9.977 1.00 10.00 H new ATOM 0 HG22 VAL A 57 8.969 -9.610 -8.715 1.00 10.00 H new ATOM 0 HG23 VAL A 57 9.049 -8.211 -9.812 1.00 10.00 H new ATOM 633 N PRO A 58 11.923 -8.239 -12.009 1.00 10.00 N ATOM 634 CA PRO A 58 12.345 -6.907 -12.452 1.00 10.00 C ATOM 635 C PRO A 58 11.182 -5.923 -12.444 1.00 10.00 C ATOM 636 O PRO A 58 10.023 -6.331 -12.487 1.00 10.00 O ATOM 637 CB PRO A 58 12.838 -7.143 -13.880 1.00 10.00 C ATOM 638 CG PRO A 58 12.131 -8.372 -14.334 1.00 10.00 C ATOM 639 CD PRO A 58 11.935 -9.220 -13.111 1.00 10.00 C ATOM 0 HA PRO A 58 13.103 -6.473 -11.800 1.00 10.00 H new ATOM 0 HB2 PRO A 58 12.606 -6.294 -14.523 1.00 10.00 H new ATOM 0 HB3 PRO A 58 13.919 -7.277 -13.907 1.00 10.00 H new ATOM 0 HG2 PRO A 58 11.174 -8.123 -14.792 1.00 10.00 H new ATOM 0 HG3 PRO A 58 12.716 -8.902 -15.085 1.00 10.00 H new ATOM 0 HD2 PRO A 58 11.002 -9.782 -13.158 1.00 10.00 H new ATOM 0 HD3 PRO A 58 12.739 -9.946 -12.993 1.00 10.00 H new ATOM 647 N MET A 59 11.484 -4.636 -12.384 1.00 10.00 N ATOM 648 CA MET A 59 10.439 -3.620 -12.381 1.00 10.00 C ATOM 649 C MET A 59 9.710 -3.604 -13.723 1.00 10.00 C ATOM 650 O MET A 59 10.244 -4.084 -14.723 1.00 10.00 O ATOM 651 CB MET A 59 11.025 -2.238 -12.081 1.00 10.00 C ATOM 652 CG MET A 59 10.009 -1.270 -11.497 1.00 10.00 C ATOM 653 SD MET A 59 10.683 0.378 -11.222 1.00 10.00 S ATOM 654 CE MET A 59 9.318 1.147 -10.358 1.00 10.00 C ATOM 0 H MET A 59 12.435 -4.270 -12.337 1.00 10.00 H new ATOM 0 HA MET A 59 9.725 -3.868 -11.596 1.00 10.00 H new ATOM 0 HB2 MET A 59 11.856 -2.346 -11.384 1.00 10.00 H new ATOM 0 HB3 MET A 59 11.433 -1.816 -13.000 1.00 10.00 H new ATOM 0 HG2 MET A 59 9.154 -1.199 -12.170 1.00 10.00 H new ATOM 0 HG3 MET A 59 9.639 -1.667 -10.552 1.00 10.00 H new ATOM 0 HE1 MET A 59 9.614 2.140 -10.021 1.00 10.00 H new ATOM 0 HE2 MET A 59 8.464 1.231 -11.030 1.00 10.00 H new ATOM 0 HE3 MET A 59 9.044 0.538 -9.496 1.00 10.00 H new ATOM 664 N ASN A 60 8.478 -3.083 -13.714 1.00 10.00 N ATOM 665 CA ASN A 60 7.634 -2.973 -14.915 1.00 10.00 C ATOM 666 C ASN A 60 6.975 -4.311 -15.261 1.00 10.00 C ATOM 667 O ASN A 60 6.136 -4.382 -16.158 1.00 10.00 O ATOM 668 CB ASN A 60 8.433 -2.442 -16.118 1.00 10.00 C ATOM 669 CG ASN A 60 7.569 -1.720 -17.137 1.00 10.00 C ATOM 670 OD1 ASN A 60 7.297 -0.526 -16.999 1.00 10.00 O ATOM 671 ND2 ASN A 60 7.150 -2.427 -18.177 1.00 10.00 N ATOM 0 H ASN A 60 8.033 -2.723 -12.870 1.00 10.00 H new ATOM 0 HA ASN A 60 6.846 -2.255 -14.687 1.00 10.00 H new ATOM 0 HB2 ASN A 60 9.207 -1.763 -15.761 1.00 10.00 H new ATOM 0 HB3 ASN A 60 8.940 -3.275 -16.606 1.00 10.00 H new ATOM 0 HD21 ASN A 60 6.581 -1.984 -18.899 1.00 10.00 H new ATOM 0 HD22 ASN A 60 7.396 -3.414 -18.255 1.00 10.00 H new ATOM 678 N SER A 61 7.337 -5.365 -14.539 1.00 10.00 N ATOM 679 CA SER A 61 6.763 -6.685 -14.787 1.00 10.00 C ATOM 680 C SER A 61 5.403 -6.821 -14.110 1.00 10.00 C ATOM 681 O SER A 61 4.567 -7.622 -14.528 1.00 10.00 O ATOM 682 CB SER A 61 7.704 -7.779 -14.280 1.00 10.00 C ATOM 683 OG SER A 61 7.876 -7.691 -12.877 1.00 10.00 O ATOM 0 H SER A 61 8.020 -5.334 -13.782 1.00 10.00 H new ATOM 0 HA SER A 61 6.630 -6.798 -15.863 1.00 10.00 H new ATOM 0 HB2 SER A 61 7.302 -8.758 -14.540 1.00 10.00 H new ATOM 0 HB3 SER A 61 8.671 -7.690 -14.775 1.00 10.00 H new ATOM 0 HG SER A 61 8.509 -6.972 -12.669 1.00 10.00 H new ATOM 689 N LEU A 62 5.186 -6.031 -13.069 1.00 10.00 N ATOM 690 CA LEU A 62 3.935 -6.071 -12.329 1.00 10.00 C ATOM 691 C LEU A 62 3.226 -4.726 -12.388 1.00 10.00 C ATOM 692 O LEU A 62 3.865 -3.671 -12.365 1.00 10.00 O ATOM 693 CB LEU A 62 4.194 -6.450 -10.868 1.00 10.00 C ATOM 694 CG LEU A 62 4.914 -7.784 -10.645 1.00 10.00 C ATOM 695 CD1 LEU A 62 5.202 -7.992 -9.166 1.00 10.00 C ATOM 696 CD2 LEU A 62 4.089 -8.940 -11.192 1.00 10.00 C ATOM 0 H LEU A 62 5.862 -5.353 -12.718 1.00 10.00 H new ATOM 0 HA LEU A 62 3.296 -6.824 -12.790 1.00 10.00 H new ATOM 0 HB2 LEU A 62 4.783 -5.658 -10.406 1.00 10.00 H new ATOM 0 HB3 LEU A 62 3.238 -6.482 -10.345 1.00 10.00 H new ATOM 0 HG LEU A 62 5.861 -7.754 -11.183 1.00 10.00 H new ATOM 0 HD11 LEU A 62 5.714 -8.944 -9.025 1.00 10.00 H new ATOM 0 HD12 LEU A 62 5.835 -7.183 -8.801 1.00 10.00 H new ATOM 0 HD13 LEU A 62 4.264 -7.998 -8.610 1.00 10.00 H new ATOM 0 HD21 LEU A 62 4.619 -9.877 -11.023 1.00 10.00 H new ATOM 0 HD22 LEU A 62 3.125 -8.972 -10.684 1.00 10.00 H new ATOM 0 HD23 LEU A 62 3.931 -8.800 -12.261 1.00 10.00 H new ATOM 708 N ARG A 63 1.905 -4.769 -12.464 1.00 10.00 N ATOM 709 CA ARG A 63 1.100 -3.559 -12.508 1.00 10.00 C ATOM 710 C ARG A 63 0.211 -3.474 -11.273 1.00 10.00 C ATOM 711 O ARG A 63 -0.492 -4.427 -10.933 1.00 10.00 O ATOM 712 CB ARG A 63 0.247 -3.503 -13.785 1.00 10.00 C ATOM 713 CG ARG A 63 -0.669 -4.705 -13.984 1.00 10.00 C ATOM 714 CD ARG A 63 -1.511 -4.560 -15.242 1.00 10.00 C ATOM 715 NE ARG A 63 -2.405 -5.699 -15.445 1.00 10.00 N ATOM 716 CZ ARG A 63 -2.299 -6.570 -16.450 1.00 10.00 C ATOM 717 NH1 ARG A 63 -1.354 -6.435 -17.372 1.00 10.00 N ATOM 718 NH2 ARG A 63 -3.152 -7.578 -16.539 1.00 10.00 N ATOM 0 H ARG A 63 1.366 -5.634 -12.497 1.00 10.00 H new ATOM 0 HA ARG A 63 1.776 -2.704 -12.519 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -0.361 -2.598 -13.762 1.00 10.00 H new ATOM 0 HB3 ARG A 63 0.910 -3.420 -14.647 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -0.070 -5.614 -14.048 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -1.322 -4.814 -13.118 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -2.100 -3.645 -15.179 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -0.855 -4.457 -16.106 1.00 10.00 H new ATOM 0 HE ARG A 63 -3.160 -5.837 -14.773 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -0.696 -5.657 -17.318 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -1.285 -7.109 -18.135 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -3.887 -7.687 -15.841 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -3.074 -8.246 -17.306 1.00 10.00 H new ATOM 732 N PHE A 64 0.270 -2.343 -10.593 1.00 10.00 N ATOM 733 CA PHE A 64 -0.531 -2.129 -9.398 1.00 10.00 C ATOM 734 C PHE A 64 -1.861 -1.498 -9.769 1.00 10.00 C ATOM 735 O PHE A 64 -1.900 -0.483 -10.467 1.00 10.00 O ATOM 736 CB PHE A 64 0.215 -1.229 -8.411 1.00 10.00 C ATOM 737 CG PHE A 64 1.375 -1.898 -7.730 1.00 10.00 C ATOM 738 CD1 PHE A 64 2.607 -1.988 -8.356 1.00 10.00 C ATOM 739 CD2 PHE A 64 1.232 -2.433 -6.460 1.00 10.00 C ATOM 740 CE1 PHE A 64 3.676 -2.598 -7.729 1.00 10.00 C ATOM 741 CE2 PHE A 64 2.296 -3.047 -5.830 1.00 10.00 C ATOM 742 CZ PHE A 64 3.520 -3.129 -6.466 1.00 10.00 C ATOM 0 H PHE A 64 0.866 -1.555 -10.848 1.00 10.00 H new ATOM 0 HA PHE A 64 -0.714 -3.094 -8.924 1.00 10.00 H new ATOM 0 HB2 PHE A 64 0.577 -0.348 -8.941 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -0.486 -0.879 -7.653 1.00 10.00 H new ATOM 0 HD1 PHE A 64 2.734 -1.576 -9.346 1.00 10.00 H new ATOM 0 HD2 PHE A 64 0.278 -2.369 -5.958 1.00 10.00 H new ATOM 0 HE1 PHE A 64 4.632 -2.659 -8.227 1.00 10.00 H new ATOM 0 HE2 PHE A 64 2.172 -3.463 -4.841 1.00 10.00 H new ATOM 0 HZ PHE A 64 4.354 -3.608 -5.974 1.00 10.00 H new ATOM 752 N LEU A 65 -2.945 -2.098 -9.302 1.00 10.00 N ATOM 753 CA LEU A 65 -4.279 -1.597 -9.590 1.00 10.00 C ATOM 754 C LEU A 65 -4.923 -1.034 -8.332 1.00 10.00 C ATOM 755 O LEU A 65 -4.920 -1.675 -7.275 1.00 10.00 O ATOM 756 CB LEU A 65 -5.160 -2.708 -10.164 1.00 10.00 C ATOM 757 CG LEU A 65 -4.607 -3.407 -11.405 1.00 10.00 C ATOM 758 CD1 LEU A 65 -5.543 -4.523 -11.838 1.00 10.00 C ATOM 759 CD2 LEU A 65 -4.401 -2.413 -12.541 1.00 10.00 C ATOM 0 H LEU A 65 -2.926 -2.935 -8.720 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.186 -0.801 -10.328 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -5.323 -3.456 -9.389 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.134 -2.286 -10.409 1.00 10.00 H new ATOM 0 HG LEU A 65 -3.638 -3.839 -11.154 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -5.139 -5.014 -12.723 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -5.639 -5.250 -11.032 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -6.523 -4.106 -12.070 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -4.007 -2.934 -13.413 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -5.354 -1.949 -12.795 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -3.695 -1.644 -12.228 1.00 10.00 H new ATOM 771 N PHE A 66 -5.467 0.166 -8.457 1.00 10.00 N ATOM 772 CA PHE A 66 -6.125 0.836 -7.353 1.00 10.00 C ATOM 773 C PHE A 66 -7.339 1.608 -7.861 1.00 10.00 C ATOM 774 O PHE A 66 -7.208 2.513 -8.686 1.00 10.00 O ATOM 775 CB PHE A 66 -5.148 1.782 -6.649 1.00 10.00 C ATOM 776 CG PHE A 66 -5.645 2.282 -5.323 1.00 10.00 C ATOM 777 CD1 PHE A 66 -5.639 1.457 -4.210 1.00 10.00 C ATOM 778 CD2 PHE A 66 -6.118 3.578 -5.190 1.00 10.00 C ATOM 779 CE1 PHE A 66 -6.095 1.917 -2.989 1.00 10.00 C ATOM 780 CE2 PHE A 66 -6.572 4.043 -3.974 1.00 10.00 C ATOM 781 CZ PHE A 66 -6.562 3.210 -2.871 1.00 10.00 C ATOM 0 H PHE A 66 -5.464 0.700 -9.326 1.00 10.00 H new ATOM 0 HA PHE A 66 -6.460 0.088 -6.635 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -4.199 1.266 -6.501 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -4.950 2.635 -7.298 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -5.274 0.444 -4.297 1.00 10.00 H new ATOM 0 HD2 PHE A 66 -6.131 4.232 -6.050 1.00 10.00 H new ATOM 0 HE1 PHE A 66 -6.086 1.265 -2.128 1.00 10.00 H new ATOM 0 HE2 PHE A 66 -6.935 5.056 -3.883 1.00 10.00 H new ATOM 0 HZ PHE A 66 -6.919 3.571 -1.918 1.00 10.00 H new ATOM 791 N GLU A 67 -8.516 1.214 -7.384 1.00 10.00 N ATOM 792 CA GLU A 67 -9.782 1.850 -7.759 1.00 10.00 C ATOM 793 C GLU A 67 -10.053 1.739 -9.260 1.00 10.00 C ATOM 794 O GLU A 67 -10.709 2.600 -9.850 1.00 10.00 O ATOM 795 CB GLU A 67 -9.794 3.316 -7.321 1.00 10.00 C ATOM 796 CG GLU A 67 -9.814 3.490 -5.810 1.00 10.00 C ATOM 797 CD GLU A 67 -11.057 2.903 -5.174 1.00 10.00 C ATOM 798 OE1 GLU A 67 -11.111 1.672 -4.982 1.00 10.00 O ATOM 799 OE2 GLU A 67 -11.988 3.673 -4.865 1.00 10.00 O ATOM 0 H GLU A 67 -8.623 0.443 -6.725 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.581 1.319 -7.242 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -8.915 3.817 -7.726 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.667 3.809 -7.749 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -8.932 3.015 -5.381 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -9.753 4.551 -5.569 1.00 10.00 H new ATOM 806 N GLY A 68 -9.550 0.673 -9.871 1.00 10.00 N ATOM 807 CA GLY A 68 -9.762 0.464 -11.292 1.00 10.00 C ATOM 808 C GLY A 68 -8.713 1.144 -12.148 1.00 10.00 C ATOM 809 O GLY A 68 -8.707 0.998 -13.372 1.00 10.00 O ATOM 0 H GLY A 68 -8.999 -0.050 -9.409 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -9.758 -0.606 -11.502 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -10.748 0.839 -11.567 1.00 10.00 H new ATOM 813 N GLN A 69 -7.831 1.896 -11.512 1.00 10.00 N ATOM 814 CA GLN A 69 -6.777 2.595 -12.225 1.00 10.00 C ATOM 815 C GLN A 69 -5.423 2.010 -11.864 1.00 10.00 C ATOM 816 O GLN A 69 -5.267 1.402 -10.808 1.00 10.00 O ATOM 817 CB GLN A 69 -6.820 4.089 -11.904 1.00 10.00 C ATOM 818 CG GLN A 69 -8.073 4.775 -12.420 1.00 10.00 C ATOM 819 CD GLN A 69 -8.094 6.260 -12.131 1.00 10.00 C ATOM 820 OE1 GLN A 69 -7.588 6.718 -11.106 1.00 10.00 O ATOM 821 NE2 GLN A 69 -8.671 7.024 -13.041 1.00 10.00 N ATOM 0 H GLN A 69 -7.824 2.038 -10.502 1.00 10.00 H new ATOM 0 HA GLN A 69 -6.934 2.469 -13.296 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -6.758 4.224 -10.824 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -5.944 4.573 -12.337 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -8.150 4.618 -13.496 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -8.948 4.310 -11.967 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -9.078 6.603 -13.876 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -8.709 8.035 -12.908 1.00 10.00 H new ATOM 830 N ARG A 70 -4.451 2.177 -12.739 1.00 10.00 N ATOM 831 CA ARG A 70 -3.124 1.647 -12.483 1.00 10.00 C ATOM 832 C ARG A 70 -2.226 2.716 -11.877 1.00 10.00 C ATOM 833 O ARG A 70 -2.211 3.866 -12.327 1.00 10.00 O ATOM 834 CB ARG A 70 -2.500 1.082 -13.762 1.00 10.00 C ATOM 835 CG ARG A 70 -2.413 2.078 -14.905 1.00 10.00 C ATOM 836 CD ARG A 70 -1.880 1.422 -16.165 1.00 10.00 C ATOM 837 NE ARG A 70 -0.503 0.967 -16.007 1.00 10.00 N ATOM 838 CZ ARG A 70 -0.011 -0.131 -16.582 1.00 10.00 C ATOM 839 NH1 ARG A 70 -0.782 -0.898 -17.343 1.00 10.00 N ATOM 840 NH2 ARG A 70 1.258 -0.463 -16.397 1.00 10.00 N ATOM 0 H ARG A 70 -4.552 2.671 -13.626 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.221 0.831 -11.767 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -1.498 0.719 -13.534 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -3.084 0.222 -14.088 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -3.399 2.499 -15.100 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.764 2.906 -14.621 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.513 0.575 -16.428 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -1.935 2.129 -16.992 1.00 10.00 H new ATOM 0 HE ARG A 70 0.121 1.522 -15.421 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -1.760 -0.649 -17.492 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -0.397 -1.736 -17.779 1.00 10.00 H new ATOM 0 HH21 ARG A 70 1.858 0.121 -15.815 1.00 10.00 H new ATOM 0 HH22 ARG A 70 1.635 -1.303 -16.837 1.00 10.00 H new ATOM 854 N ILE A 71 -1.497 2.328 -10.844 1.00 10.00 N ATOM 855 CA ILE A 71 -0.588 3.231 -10.160 1.00 10.00 C ATOM 856 C ILE A 71 0.626 3.521 -11.033 1.00 10.00 C ATOM 857 O ILE A 71 1.403 2.617 -11.354 1.00 10.00 O ATOM 858 CB ILE A 71 -0.124 2.640 -8.808 1.00 10.00 C ATOM 859 CG1 ILE A 71 -1.304 2.517 -7.841 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.985 3.482 -8.195 1.00 10.00 C ATOM 861 CD1 ILE A 71 -1.965 3.836 -7.505 1.00 10.00 C ATOM 0 H ILE A 71 -1.518 1.384 -10.458 1.00 10.00 H new ATOM 0 HA ILE A 71 -1.126 4.159 -9.966 1.00 10.00 H new ATOM 0 HB ILE A 71 0.275 1.643 -8.995 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -2.048 1.850 -8.275 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.957 2.051 -6.919 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.292 3.044 -7.245 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.837 3.511 -8.874 1.00 10.00 H new ATOM 0 HG23 ILE A 71 0.621 4.496 -8.026 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -2.791 3.664 -6.815 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -1.236 4.500 -7.040 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -2.344 4.296 -8.418 1.00 10.00 H new ATOM 873 N ALA A 72 0.772 4.778 -11.424 1.00 10.00 N ATOM 874 CA ALA A 72 1.884 5.199 -12.256 1.00 10.00 C ATOM 875 C ALA A 72 3.142 5.351 -11.413 1.00 10.00 C ATOM 876 O ALA A 72 3.078 5.383 -10.183 1.00 10.00 O ATOM 877 CB ALA A 72 1.547 6.502 -12.967 1.00 10.00 C ATOM 0 H ALA A 72 0.127 5.528 -11.175 1.00 10.00 H new ATOM 0 HA ALA A 72 2.069 4.436 -13.012 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.390 6.806 -13.588 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.668 6.357 -13.595 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.342 7.277 -12.228 1.00 10.00 H new ATOM 883 N ASP A 73 4.281 5.470 -12.077 1.00 10.00 N ATOM 884 CA ASP A 73 5.568 5.598 -11.393 1.00 10.00 C ATOM 885 C ASP A 73 5.784 7.009 -10.853 1.00 10.00 C ATOM 886 O ASP A 73 6.885 7.359 -10.427 1.00 10.00 O ATOM 887 CB ASP A 73 6.710 5.211 -12.336 1.00 10.00 C ATOM 888 CG ASP A 73 6.930 3.711 -12.393 1.00 10.00 C ATOM 889 OD1 ASP A 73 5.944 2.972 -12.587 1.00 10.00 O ATOM 890 OD2 ASP A 73 8.087 3.272 -12.240 1.00 10.00 O ATOM 0 H ASP A 73 4.345 5.481 -13.095 1.00 10.00 H new ATOM 0 HA ASP A 73 5.559 4.917 -10.542 1.00 10.00 H new ATOM 0 HB2 ASP A 73 6.492 5.582 -13.338 1.00 10.00 H new ATOM 0 HB3 ASP A 73 7.629 5.698 -12.009 1.00 10.00 H new ATOM 895 N ASN A 74 4.731 7.816 -10.867 1.00 10.00 N ATOM 896 CA ASN A 74 4.806 9.182 -10.363 1.00 10.00 C ATOM 897 C ASN A 74 3.615 9.479 -9.459 1.00 10.00 C ATOM 898 O ASN A 74 3.363 10.628 -9.096 1.00 10.00 O ATOM 899 CB ASN A 74 4.861 10.189 -11.519 1.00 10.00 C ATOM 900 CG ASN A 74 3.578 10.234 -12.329 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.339 9.377 -13.176 1.00 10.00 O ATOM 902 ND2 ASN A 74 2.752 11.237 -12.079 1.00 10.00 N ATOM 0 H ASN A 74 3.813 7.548 -11.222 1.00 10.00 H new ATOM 0 HA ASN A 74 5.722 9.281 -9.781 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.066 11.182 -11.119 1.00 10.00 H new ATOM 0 HB3 ASN A 74 5.691 9.933 -12.177 1.00 10.00 H new ATOM 0 HD21 ASN A 74 1.878 11.320 -12.599 1.00 10.00 H new ATOM 0 HD22 ASN A 74 2.989 11.927 -11.367 1.00 10.00 H new ATOM 909 N HIS A 75 2.888 8.429 -9.093 1.00 10.00 N ATOM 910 CA HIS A 75 1.720 8.566 -8.229 1.00 10.00 C ATOM 911 C HIS A 75 2.143 8.642 -6.767 1.00 10.00 C ATOM 912 O HIS A 75 3.189 8.111 -6.381 1.00 10.00 O ATOM 913 CB HIS A 75 0.760 7.387 -8.430 1.00 10.00 C ATOM 914 CG HIS A 75 -0.409 7.695 -9.311 1.00 10.00 C ATOM 915 ND1 HIS A 75 -0.700 6.923 -10.411 1.00 10.00 N ATOM 916 CD2 HIS A 75 -1.332 8.680 -9.208 1.00 10.00 C ATOM 917 CE1 HIS A 75 -1.785 7.450 -10.945 1.00 10.00 C ATOM 918 NE2 HIS A 75 -2.203 8.514 -10.252 1.00 10.00 N ATOM 0 H HIS A 75 3.087 7.471 -9.382 1.00 10.00 H new ATOM 0 HA HIS A 75 1.207 9.489 -8.497 1.00 10.00 H new ATOM 0 HB2 HIS A 75 1.313 6.551 -8.857 1.00 10.00 H new ATOM 0 HB3 HIS A 75 0.392 7.062 -7.457 1.00 10.00 H new ATOM 0 HD2 HIS A 75 -1.374 9.448 -8.450 1.00 10.00 H new ATOM 0 HE1 HIS A 75 -2.274 7.070 -11.830 1.00 10.00 H new ATOM 0 HE2 HIS A 75 -3.017 9.093 -10.461 1.00 10.00 H new ATOM 926 N THR A 76 1.340 9.316 -5.963 1.00 10.00 N ATOM 927 CA THR A 76 1.610 9.455 -4.542 1.00 10.00 C ATOM 928 C THR A 76 0.409 8.970 -3.732 1.00 10.00 C ATOM 929 O THR A 76 -0.718 9.004 -4.221 1.00 10.00 O ATOM 930 CB THR A 76 1.920 10.923 -4.172 1.00 10.00 C ATOM 931 OG1 THR A 76 0.893 11.789 -4.676 1.00 10.00 O ATOM 932 CG2 THR A 76 3.270 11.354 -4.730 1.00 10.00 C ATOM 0 H THR A 76 0.487 9.780 -6.274 1.00 10.00 H new ATOM 0 HA THR A 76 2.483 8.847 -4.306 1.00 10.00 H new ATOM 0 HB THR A 76 1.954 10.995 -3.085 1.00 10.00 H new ATOM 0 HG1 THR A 76 0.881 11.747 -5.655 1.00 10.00 H new ATOM 0 HG21 THR A 76 3.463 12.391 -4.455 1.00 10.00 H new ATOM 0 HG22 THR A 76 4.054 10.718 -4.319 1.00 10.00 H new ATOM 0 HG23 THR A 76 3.261 11.262 -5.816 1.00 10.00 H new ATOM 940 N PRO A 77 0.624 8.510 -2.488 1.00 10.00 N ATOM 941 CA PRO A 77 -0.466 8.027 -1.625 1.00 10.00 C ATOM 942 C PRO A 77 -1.424 9.147 -1.211 1.00 10.00 C ATOM 943 O PRO A 77 -2.511 8.895 -0.689 1.00 10.00 O ATOM 944 CB PRO A 77 0.267 7.464 -0.402 1.00 10.00 C ATOM 945 CG PRO A 77 1.592 8.144 -0.393 1.00 10.00 C ATOM 946 CD PRO A 77 1.940 8.397 -1.832 1.00 10.00 C ATOM 0 HA PRO A 77 -1.093 7.295 -2.134 1.00 10.00 H new ATOM 0 HB2 PRO A 77 -0.285 7.666 0.516 1.00 10.00 H new ATOM 0 HB3 PRO A 77 0.380 6.382 -0.474 1.00 10.00 H new ATOM 0 HG2 PRO A 77 1.547 9.078 0.167 1.00 10.00 H new ATOM 0 HG3 PRO A 77 2.347 7.521 0.087 1.00 10.00 H new ATOM 0 HD2 PRO A 77 2.527 9.308 -1.949 1.00 10.00 H new ATOM 0 HD3 PRO A 77 2.530 7.582 -2.252 1.00 10.00 H new ATOM 954 N LYS A 78 -1.008 10.384 -1.455 1.00 10.00 N ATOM 955 CA LYS A 78 -1.811 11.549 -1.113 1.00 10.00 C ATOM 956 C LYS A 78 -2.956 11.726 -2.107 1.00 10.00 C ATOM 957 O LYS A 78 -4.062 12.129 -1.732 1.00 10.00 O ATOM 958 CB LYS A 78 -0.926 12.802 -1.071 1.00 10.00 C ATOM 959 CG LYS A 78 -1.685 14.102 -0.830 1.00 10.00 C ATOM 960 CD LYS A 78 -2.485 14.075 0.467 1.00 10.00 C ATOM 961 CE LYS A 78 -1.586 13.990 1.689 1.00 10.00 C ATOM 962 NZ LYS A 78 -2.344 14.223 2.948 1.00 10.00 N ATOM 0 H LYS A 78 -0.113 10.606 -1.891 1.00 10.00 H new ATOM 0 HA LYS A 78 -2.246 11.397 -0.125 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -0.181 12.679 -0.285 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.385 12.881 -2.014 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.979 14.932 -0.801 1.00 10.00 H new ATOM 0 HG3 LYS A 78 -2.360 14.286 -1.666 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -3.101 14.972 0.532 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -3.164 13.222 0.456 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -1.113 13.008 1.725 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.786 14.726 1.604 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -1.697 14.157 3.760 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -2.774 15.169 2.924 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -3.091 13.505 3.041 1.00 10.00 H new ATOM 976 N GLU A 79 -2.698 11.411 -3.369 1.00 10.00 N ATOM 977 CA GLU A 79 -3.713 11.540 -4.404 1.00 10.00 C ATOM 978 C GLU A 79 -4.479 10.228 -4.544 1.00 10.00 C ATOM 979 O GLU A 79 -4.093 9.222 -3.944 1.00 10.00 O ATOM 980 CB GLU A 79 -3.075 11.947 -5.737 1.00 10.00 C ATOM 981 CG GLU A 79 -2.179 10.885 -6.342 1.00 10.00 C ATOM 982 CD GLU A 79 -1.208 11.454 -7.352 1.00 10.00 C ATOM 983 OE1 GLU A 79 -1.657 11.977 -8.392 1.00 10.00 O ATOM 984 OE2 GLU A 79 0.014 11.368 -7.113 1.00 10.00 O ATOM 0 H GLU A 79 -1.797 11.065 -3.700 1.00 10.00 H new ATOM 0 HA GLU A 79 -4.414 12.323 -4.117 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.866 12.188 -6.448 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.493 12.856 -5.587 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.622 10.388 -5.547 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.795 10.125 -6.823 1.00 10.00 H new ATOM 991 N LEU A 80 -5.572 10.258 -5.313 1.00 10.00 N ATOM 992 CA LEU A 80 -6.428 9.086 -5.543 1.00 10.00 C ATOM 993 C LEU A 80 -7.247 8.752 -4.295 1.00 10.00 C ATOM 994 O LEU A 80 -8.465 8.576 -4.368 1.00 10.00 O ATOM 995 CB LEU A 80 -5.606 7.867 -5.988 1.00 10.00 C ATOM 996 CG LEU A 80 -5.797 7.444 -7.448 1.00 10.00 C ATOM 997 CD1 LEU A 80 -4.685 6.498 -7.874 1.00 10.00 C ATOM 998 CD2 LEU A 80 -7.158 6.785 -7.636 1.00 10.00 C ATOM 0 H LEU A 80 -5.891 11.098 -5.796 1.00 10.00 H new ATOM 0 HA LEU A 80 -7.116 9.339 -6.350 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -4.550 8.083 -5.825 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -5.862 7.024 -5.347 1.00 10.00 H new ATOM 0 HG LEU A 80 -5.754 8.334 -8.076 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -4.834 6.206 -8.914 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -3.722 6.999 -7.772 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -4.701 5.610 -7.242 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -7.279 6.490 -8.678 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -7.226 5.903 -6.999 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -7.944 7.490 -7.365 1.00 10.00 H new ATOM 1010 N GLY A 81 -6.577 8.671 -3.155 1.00 10.00 N ATOM 1011 CA GLY A 81 -7.254 8.373 -1.912 1.00 10.00 C ATOM 1012 C GLY A 81 -6.794 7.069 -1.301 1.00 10.00 C ATOM 1013 O GLY A 81 -7.490 6.060 -1.390 1.00 10.00 O ATOM 0 H GLY A 81 -5.570 8.808 -3.070 1.00 10.00 H new ATOM 0 HA2 GLY A 81 -7.081 9.183 -1.204 1.00 10.00 H new ATOM 0 HA3 GLY A 81 -8.329 8.329 -2.089 1.00 10.00 H new ATOM 1017 N MET A 82 -5.614 7.085 -0.695 1.00 10.00 N ATOM 1018 CA MET A 82 -5.067 5.893 -0.056 1.00 10.00 C ATOM 1019 C MET A 82 -5.150 6.029 1.455 1.00 10.00 C ATOM 1020 O MET A 82 -4.643 6.997 2.027 1.00 10.00 O ATOM 1021 CB MET A 82 -3.615 5.662 -0.480 1.00 10.00 C ATOM 1022 CG MET A 82 -3.478 4.872 -1.769 1.00 10.00 C ATOM 1023 SD MET A 82 -1.760 4.558 -2.217 1.00 10.00 S ATOM 1024 CE MET A 82 -1.972 3.451 -3.607 1.00 10.00 C ATOM 0 H MET A 82 -5.017 7.909 -0.632 1.00 10.00 H new ATOM 0 HA MET A 82 -5.658 5.034 -0.374 1.00 10.00 H new ATOM 0 HB2 MET A 82 -3.122 6.627 -0.601 1.00 10.00 H new ATOM 0 HB3 MET A 82 -3.092 5.134 0.317 1.00 10.00 H new ATOM 0 HG2 MET A 82 -4.001 3.921 -1.664 1.00 10.00 H new ATOM 0 HG3 MET A 82 -3.966 5.417 -2.577 1.00 10.00 H new ATOM 0 HE1 MET A 82 -0.995 3.165 -3.997 1.00 10.00 H new ATOM 0 HE2 MET A 82 -2.508 2.559 -3.283 1.00 10.00 H new ATOM 0 HE3 MET A 82 -2.542 3.953 -4.389 1.00 10.00 H new ATOM 1034 N GLU A 83 -5.799 5.072 2.098 1.00 10.00 N ATOM 1035 CA GLU A 83 -5.956 5.103 3.542 1.00 10.00 C ATOM 1036 C GLU A 83 -5.379 3.859 4.206 1.00 10.00 C ATOM 1037 O GLU A 83 -4.859 2.964 3.543 1.00 10.00 O ATOM 1038 CB GLU A 83 -7.434 5.246 3.907 1.00 10.00 C ATOM 1039 CG GLU A 83 -7.809 6.651 4.346 1.00 10.00 C ATOM 1040 CD GLU A 83 -6.931 7.155 5.473 1.00 10.00 C ATOM 1041 OE1 GLU A 83 -6.635 6.365 6.400 1.00 10.00 O ATOM 1042 OE2 GLU A 83 -6.529 8.338 5.435 1.00 10.00 O ATOM 0 H GLU A 83 -6.225 4.265 1.643 1.00 10.00 H new ATOM 0 HA GLU A 83 -5.400 5.965 3.912 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -8.043 4.966 3.047 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -7.673 4.546 4.708 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -7.729 7.328 3.496 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -8.851 6.663 4.667 1.00 10.00 H new ATOM 1049 N GLU A 84 -5.465 3.827 5.529 1.00 10.00 N ATOM 1050 CA GLU A 84 -4.973 2.701 6.311 1.00 10.00 C ATOM 1051 C GLU A 84 -5.827 1.469 6.042 1.00 10.00 C ATOM 1052 O GLU A 84 -7.053 1.573 5.959 1.00 10.00 O ATOM 1053 CB GLU A 84 -5.005 3.060 7.801 1.00 10.00 C ATOM 1054 CG GLU A 84 -4.610 1.927 8.734 1.00 10.00 C ATOM 1055 CD GLU A 84 -3.191 1.450 8.522 1.00 10.00 C ATOM 1056 OE1 GLU A 84 -2.297 2.298 8.307 1.00 10.00 O ATOM 1057 OE2 GLU A 84 -2.961 0.225 8.588 1.00 10.00 O ATOM 0 H GLU A 84 -5.875 4.576 6.087 1.00 10.00 H new ATOM 0 HA GLU A 84 -3.946 2.479 6.022 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -4.337 3.904 7.972 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -6.010 3.392 8.060 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -4.725 2.258 9.766 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -5.293 1.090 8.589 1.00 10.00 H new ATOM 1064 N GLU A 85 -5.172 0.317 5.892 1.00 10.00 N ATOM 1065 CA GLU A 85 -5.860 -0.948 5.628 1.00 10.00 C ATOM 1066 C GLU A 85 -6.551 -0.924 4.270 1.00 10.00 C ATOM 1067 O GLU A 85 -7.552 -1.608 4.062 1.00 10.00 O ATOM 1068 CB GLU A 85 -6.885 -1.251 6.729 1.00 10.00 C ATOM 1069 CG GLU A 85 -6.262 -1.644 8.054 1.00 10.00 C ATOM 1070 CD GLU A 85 -5.915 -3.113 8.120 1.00 10.00 C ATOM 1071 OE1 GLU A 85 -4.965 -3.541 7.432 1.00 10.00 O ATOM 1072 OE2 GLU A 85 -6.584 -3.846 8.874 1.00 10.00 O ATOM 0 H GLU A 85 -4.157 0.234 5.949 1.00 10.00 H new ATOM 0 HA GLU A 85 -5.107 -1.736 5.620 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -7.513 -0.373 6.880 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -7.538 -2.056 6.392 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -5.360 -1.054 8.216 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -6.952 -1.401 8.862 1.00 10.00 H new ATOM 1079 N ASP A 86 -6.016 -0.136 3.348 1.00 10.00 N ATOM 1080 CA ASP A 86 -6.592 -0.039 2.015 1.00 10.00 C ATOM 1081 C ASP A 86 -6.220 -1.261 1.189 1.00 10.00 C ATOM 1082 O ASP A 86 -5.100 -1.772 1.291 1.00 10.00 O ATOM 1083 CB ASP A 86 -6.129 1.233 1.308 1.00 10.00 C ATOM 1084 CG ASP A 86 -7.255 1.896 0.545 1.00 10.00 C ATOM 1085 OD1 ASP A 86 -8.068 1.174 -0.073 1.00 10.00 O ATOM 1086 OD2 ASP A 86 -7.336 3.141 0.569 1.00 10.00 O ATOM 0 H ASP A 86 -5.189 0.442 3.497 1.00 10.00 H new ATOM 0 HA ASP A 86 -7.676 0.004 2.118 1.00 10.00 H new ATOM 0 HB2 ASP A 86 -5.728 1.931 2.043 1.00 10.00 H new ATOM 0 HB3 ASP A 86 -5.318 0.992 0.621 1.00 10.00 H new ATOM 1091 N VAL A 87 -7.161 -1.725 0.380 1.00 10.00 N ATOM 1092 CA VAL A 87 -6.942 -2.898 -0.453 1.00 10.00 C ATOM 1093 C VAL A 87 -6.406 -2.512 -1.825 1.00 10.00 C ATOM 1094 O VAL A 87 -7.039 -1.758 -2.569 1.00 10.00 O ATOM 1095 CB VAL A 87 -8.237 -3.722 -0.636 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -7.946 -5.018 -1.380 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -8.885 -4.012 0.708 1.00 10.00 C ATOM 0 H VAL A 87 -8.086 -1.306 0.283 1.00 10.00 H new ATOM 0 HA VAL A 87 -6.203 -3.509 0.066 1.00 10.00 H new ATOM 0 HB VAL A 87 -8.935 -3.133 -1.231 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -8.870 -5.584 -1.499 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -7.532 -4.789 -2.362 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -7.228 -5.610 -0.812 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -9.795 -4.593 0.556 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -8.193 -4.579 1.331 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -9.133 -3.073 1.203 1.00 10.00 H new ATOM 1107 N ILE A 88 -5.233 -3.030 -2.146 1.00 10.00 N ATOM 1108 CA ILE A 88 -4.599 -2.779 -3.425 1.00 10.00 C ATOM 1109 C ILE A 88 -4.183 -4.113 -4.043 1.00 10.00 C ATOM 1110 O ILE A 88 -3.786 -5.036 -3.329 1.00 10.00 O ATOM 1111 CB ILE A 88 -3.380 -1.833 -3.277 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.710 -1.587 -4.632 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -2.380 -2.394 -2.274 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.645 -0.513 -4.595 1.00 10.00 C ATOM 0 H ILE A 88 -4.695 -3.636 -1.526 1.00 10.00 H new ATOM 0 HA ILE A 88 -5.311 -2.279 -4.082 1.00 10.00 H new ATOM 0 HB ILE A 88 -3.740 -0.876 -2.900 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.263 -2.518 -4.981 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -3.472 -1.306 -5.359 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -1.533 -1.714 -2.186 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -2.861 -2.502 -1.302 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.030 -3.368 -2.616 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.214 -0.393 -5.589 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -2.090 0.430 -4.276 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.862 -0.801 -3.893 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.306 -4.234 -5.356 1.00 10.00 N ATOM 1127 CA GLU A 89 -3.959 -5.476 -6.027 1.00 10.00 C ATOM 1128 C GLU A 89 -2.838 -5.269 -7.037 1.00 10.00 C ATOM 1129 O GLU A 89 -2.656 -4.172 -7.568 1.00 10.00 O ATOM 1130 CB GLU A 89 -5.191 -6.063 -6.720 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.296 -6.459 -5.757 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.488 -7.073 -6.454 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.550 -6.420 -6.515 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.373 -8.215 -6.941 1.00 10.00 O ATOM 0 H GLU A 89 -4.641 -3.494 -5.973 1.00 10.00 H new ATOM 0 HA GLU A 89 -3.604 -6.177 -5.271 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -5.582 -5.333 -7.429 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -4.891 -6.938 -7.297 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -5.901 -7.168 -5.030 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -6.620 -5.579 -5.201 1.00 10.00 H new ATOM 1141 N VAL A 90 -2.090 -6.330 -7.295 1.00 10.00 N ATOM 1142 CA VAL A 90 -0.989 -6.289 -8.240 1.00 10.00 C ATOM 1143 C VAL A 90 -1.025 -7.529 -9.133 1.00 10.00 C ATOM 1144 O VAL A 90 -1.230 -8.644 -8.651 1.00 10.00 O ATOM 1145 CB VAL A 90 0.376 -6.185 -7.513 1.00 10.00 C ATOM 1146 CG1 VAL A 90 0.606 -7.379 -6.597 1.00 10.00 C ATOM 1147 CG2 VAL A 90 1.512 -6.045 -8.514 1.00 10.00 C ATOM 0 H VAL A 90 -2.229 -7.240 -6.856 1.00 10.00 H new ATOM 0 HA VAL A 90 -1.103 -5.398 -8.858 1.00 10.00 H new ATOM 0 HB VAL A 90 0.355 -5.289 -6.893 1.00 10.00 H new ATOM 0 HG11 VAL A 90 1.571 -7.277 -6.102 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -0.184 -7.420 -5.847 1.00 10.00 H new ATOM 0 HG13 VAL A 90 0.596 -8.296 -7.186 1.00 10.00 H new ATOM 0 HG21 VAL A 90 2.460 -5.974 -7.981 1.00 10.00 H new ATOM 0 HG22 VAL A 90 1.529 -6.916 -9.169 1.00 10.00 H new ATOM 0 HG23 VAL A 90 1.363 -5.145 -9.110 1.00 10.00 H new ATOM 1157 N TYR A 91 -0.865 -7.329 -10.434 1.00 10.00 N ATOM 1158 CA TYR A 91 -0.892 -8.432 -11.387 1.00 10.00 C ATOM 1159 C TYR A 91 0.260 -8.318 -12.373 1.00 10.00 C ATOM 1160 O TYR A 91 0.879 -7.262 -12.491 1.00 10.00 O ATOM 1161 CB TYR A 91 -2.228 -8.456 -12.135 1.00 10.00 C ATOM 1162 CG TYR A 91 -3.401 -8.837 -11.259 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -3.587 -10.154 -10.858 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -4.314 -7.884 -10.826 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -4.649 -10.509 -10.051 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -5.380 -8.234 -10.017 1.00 10.00 C ATOM 1167 CZ TYR A 91 -5.541 -9.547 -9.633 1.00 10.00 C ATOM 1168 OH TYR A 91 -6.598 -9.901 -8.826 1.00 10.00 O ATOM 0 H TYR A 91 -0.715 -6.412 -10.855 1.00 10.00 H new ATOM 0 HA TYR A 91 -0.782 -9.365 -10.834 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -2.411 -7.472 -12.567 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -2.159 -9.161 -12.964 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -2.890 -10.912 -11.183 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -4.190 -6.854 -11.126 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -4.780 -11.537 -9.749 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -6.082 -7.482 -9.688 1.00 10.00 H new ATOM 0 HH TYR A 91 -6.835 -9.146 -8.247 1.00 10.00 H new ATOM 1178 N GLN A 92 0.540 -9.406 -13.076 1.00 10.00 N ATOM 1179 CA GLN A 92 1.621 -9.430 -14.051 1.00 10.00 C ATOM 1180 C GLN A 92 1.238 -8.633 -15.291 1.00 10.00 C ATOM 1181 O GLN A 92 0.128 -8.773 -15.811 1.00 10.00 O ATOM 1182 CB GLN A 92 1.959 -10.871 -14.444 1.00 10.00 C ATOM 1183 CG GLN A 92 3.220 -10.992 -15.288 1.00 10.00 C ATOM 1184 CD GLN A 92 3.103 -12.060 -16.358 1.00 10.00 C ATOM 1185 OE1 GLN A 92 3.384 -13.232 -16.116 1.00 10.00 O ATOM 1186 NE2 GLN A 92 2.694 -11.663 -17.552 1.00 10.00 N ATOM 0 H GLN A 92 0.032 -10.286 -12.989 1.00 10.00 H new ATOM 0 HA GLN A 92 2.500 -8.974 -13.595 1.00 10.00 H new ATOM 0 HB2 GLN A 92 2.079 -11.467 -13.539 1.00 10.00 H new ATOM 0 HB3 GLN A 92 1.120 -11.295 -14.996 1.00 10.00 H new ATOM 0 HG2 GLN A 92 3.431 -10.032 -15.759 1.00 10.00 H new ATOM 0 HG3 GLN A 92 4.066 -11.222 -14.640 1.00 10.00 H new ATOM 0 HE21 GLN A 92 2.470 -10.681 -17.714 1.00 10.00 H new ATOM 0 HE22 GLN A 92 2.603 -12.339 -18.311 1.00 10.00 H new ATOM 1195 N GLU A 93 2.162 -7.803 -15.755 1.00 10.00 N ATOM 1196 CA GLU A 93 1.940 -6.978 -16.932 1.00 10.00 C ATOM 1197 C GLU A 93 1.946 -7.816 -18.201 1.00 10.00 C ATOM 1198 O GLU A 93 2.406 -8.959 -18.200 1.00 10.00 O ATOM 1199 CB GLU A 93 3.004 -5.885 -17.026 1.00 10.00 C ATOM 1200 CG GLU A 93 2.544 -4.550 -16.473 1.00 10.00 C ATOM 1201 CD GLU A 93 1.490 -3.892 -17.342 1.00 10.00 C ATOM 1202 OE1 GLU A 93 0.482 -4.552 -17.674 1.00 10.00 O ATOM 1203 OE2 GLU A 93 1.662 -2.710 -17.696 1.00 10.00 O ATOM 0 H GLU A 93 3.081 -7.684 -15.328 1.00 10.00 H new ATOM 0 HA GLU A 93 0.959 -6.514 -16.832 1.00 10.00 H new ATOM 0 HB2 GLU A 93 3.894 -6.207 -16.485 1.00 10.00 H new ATOM 0 HB3 GLU A 93 3.293 -5.758 -18.069 1.00 10.00 H new ATOM 0 HG2 GLU A 93 2.144 -4.695 -15.470 1.00 10.00 H new ATOM 0 HG3 GLU A 93 3.402 -3.884 -16.381 1.00 10.00 H new ATOM 1210 N GLN A 94 1.443 -7.235 -19.285 1.00 10.00 N ATOM 1211 CA GLN A 94 1.388 -7.923 -20.568 1.00 10.00 C ATOM 1212 C GLN A 94 2.792 -8.134 -21.121 1.00 10.00 C ATOM 1213 O GLN A 94 3.081 -9.161 -21.730 1.00 10.00 O ATOM 1214 CB GLN A 94 0.550 -7.126 -21.570 1.00 10.00 C ATOM 1215 CG GLN A 94 -0.055 -7.984 -22.670 1.00 10.00 C ATOM 1216 CD GLN A 94 -1.410 -8.548 -22.287 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -2.192 -7.900 -21.589 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -1.693 -9.762 -22.722 1.00 10.00 N ATOM 0 H GLN A 94 1.067 -6.287 -19.300 1.00 10.00 H new ATOM 0 HA GLN A 94 0.920 -8.895 -20.412 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -0.251 -6.615 -21.036 1.00 10.00 H new ATOM 0 HB3 GLN A 94 1.174 -6.355 -22.022 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -0.156 -7.388 -23.577 1.00 10.00 H new ATOM 0 HG3 GLN A 94 0.624 -8.804 -22.902 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -1.020 -10.267 -23.298 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -2.585 -10.195 -22.482 1.00 10.00 H new ATOM 1227 N THR A 95 3.665 -7.160 -20.897 1.00 10.00 N ATOM 1228 CA THR A 95 5.039 -7.240 -21.369 1.00 10.00 C ATOM 1229 C THR A 95 5.831 -8.273 -20.574 1.00 10.00 C ATOM 1230 O THR A 95 6.765 -8.890 -21.086 1.00 10.00 O ATOM 1231 CB THR A 95 5.742 -5.875 -21.254 1.00 10.00 C ATOM 1232 OG1 THR A 95 5.517 -5.325 -19.950 1.00 10.00 O ATOM 1233 CG2 THR A 95 5.229 -4.907 -22.308 1.00 10.00 C ATOM 0 H THR A 95 3.444 -6.303 -20.390 1.00 10.00 H new ATOM 0 HA THR A 95 5.003 -7.541 -22.416 1.00 10.00 H new ATOM 0 HB THR A 95 6.810 -6.025 -21.413 1.00 10.00 H new ATOM 0 HG1 THR A 95 5.967 -4.457 -19.879 1.00 10.00 H new ATOM 0 HG21 THR A 95 5.742 -3.951 -22.204 1.00 10.00 H new ATOM 0 HG22 THR A 95 5.420 -5.315 -23.301 1.00 10.00 H new ATOM 0 HG23 THR A 95 4.157 -4.760 -22.176 1.00 10.00 H new ATOM 1241 N GLY A 96 5.452 -8.445 -19.313 1.00 10.00 N ATOM 1242 CA GLY A 96 6.136 -9.388 -18.451 1.00 10.00 C ATOM 1243 C GLY A 96 7.404 -8.794 -17.870 1.00 10.00 C ATOM 1244 O GLY A 96 8.165 -9.476 -17.186 1.00 10.00 O ATOM 0 H GLY A 96 4.680 -7.946 -18.872 1.00 10.00 H new ATOM 0 HA2 GLY A 96 5.471 -9.691 -17.642 1.00 10.00 H new ATOM 0 HA3 GLY A 96 6.380 -10.287 -19.016 1.00 10.00 H new ATOM 1248 N GLY A 97 7.618 -7.514 -18.141 1.00 10.00 N ATOM 1249 CA GLY A 97 8.790 -6.828 -17.652 1.00 10.00 C ATOM 1250 C GLY A 97 9.009 -5.533 -18.396 1.00 10.00 C ATOM 1251 O GLY A 97 10.168 -5.080 -18.487 1.00 10.00 O ATOM 0 H GLY A 97 6.990 -6.935 -18.698 1.00 10.00 H new ATOM 0 HA2 GLY A 97 8.679 -6.625 -16.587 1.00 10.00 H new ATOM 0 HA3 GLY A 97 9.664 -7.469 -17.765 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -4.277 -17.377 6.641 1.00 10.00 N ATOM 1257 CA ASN B 357 -3.794 -16.031 7.030 1.00 10.00 C ATOM 1258 C ASN B 357 -2.284 -15.945 6.947 1.00 10.00 C ATOM 1259 O ASN B 357 -1.581 -16.452 7.819 1.00 10.00 O ATOM 1260 CB ASN B 357 -4.222 -15.682 8.463 1.00 10.00 C ATOM 1261 CG ASN B 357 -5.686 -15.341 8.553 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -6.486 -16.150 9.021 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -6.044 -14.161 8.079 1.00 10.00 N ATOM 0 HA ASN B 357 -4.239 -15.323 6.331 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -4.006 -16.524 9.120 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -3.632 -14.839 8.821 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -7.025 -13.883 8.090 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -5.339 -13.528 7.702 1.00 10.00 H new ATOM 1270 N ASN B 358 -1.771 -15.338 5.887 1.00 10.00 N ATOM 1271 CA ASN B 358 -0.331 -15.163 5.755 1.00 10.00 C ATOM 1272 C ASN B 358 -0.021 -13.685 5.679 1.00 10.00 C ATOM 1273 O ASN B 358 -0.449 -13.027 4.741 1.00 10.00 O ATOM 1274 CB ASN B 358 0.145 -15.814 4.455 1.00 10.00 C ATOM 1275 CG ASN B 358 1.658 -15.791 4.288 1.00 10.00 C ATOM 1276 OD1 ASN B 358 2.415 -15.732 5.258 1.00 10.00 O ATOM 1277 ND2 ASN B 358 2.108 -15.841 3.044 1.00 10.00 N ATOM 0 H ASN B 358 -2.321 -14.962 5.115 1.00 10.00 H new ATOM 0 HA ASN B 358 0.168 -15.619 6.610 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -0.201 -16.847 4.427 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -0.315 -15.301 3.610 1.00 10.00 H new ATOM 0 HD21 ASN B 358 3.112 -15.831 2.864 1.00 10.00 H new ATOM 0 HD22 ASN B 358 1.451 -15.889 2.265 1.00 10.00 H new ATOM 1284 N ARG B 359 0.759 -13.173 6.618 1.00 10.00 N ATOM 1285 CA ARG B 359 1.098 -11.760 6.586 1.00 10.00 C ATOM 1286 C ARG B 359 2.586 -11.533 6.641 1.00 10.00 C ATOM 1287 O ARG B 359 3.288 -12.072 7.500 1.00 10.00 O ATOM 1288 CB ARG B 359 0.379 -10.948 7.677 1.00 10.00 C ATOM 1289 CG ARG B 359 0.123 -11.675 8.991 1.00 10.00 C ATOM 1290 CD ARG B 359 -0.697 -10.801 9.934 1.00 10.00 C ATOM 1291 NE ARG B 359 -1.059 -11.500 11.163 1.00 10.00 N ATOM 1292 CZ ARG B 359 -0.345 -11.457 12.284 1.00 10.00 C ATOM 1293 NH1 ARG B 359 0.763 -10.728 12.345 1.00 10.00 N ATOM 1294 NH2 ARG B 359 -0.734 -12.146 13.350 1.00 10.00 N ATOM 0 H ARG B 359 1.161 -13.700 7.394 1.00 10.00 H new ATOM 0 HA ARG B 359 0.738 -11.392 5.625 1.00 10.00 H new ATOM 0 HB2 ARG B 359 0.970 -10.056 7.887 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.578 -10.610 7.279 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -0.405 -12.609 8.800 1.00 10.00 H new ATOM 0 HG3 ARG B 359 1.072 -11.936 9.460 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -0.128 -9.905 10.182 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -1.603 -10.472 9.425 1.00 10.00 H new ATOM 0 HE ARG B 359 -1.914 -12.057 11.162 1.00 10.00 H new ATOM 0 HH11 ARG B 359 1.070 -10.198 11.530 1.00 10.00 H new ATOM 0 HH12 ARG B 359 1.307 -10.698 13.207 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -1.583 -12.710 13.311 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -0.184 -12.111 14.208 1.00 10.00 H new ATOM 1308 N ASP B 360 3.047 -10.730 5.713 1.00 10.00 N ATOM 1309 CA ASP B 360 4.435 -10.357 5.638 1.00 10.00 C ATOM 1310 C ASP B 360 4.501 -8.844 5.728 1.00 10.00 C ATOM 1311 O ASP B 360 3.742 -8.156 5.041 1.00 10.00 O ATOM 1312 CB ASP B 360 5.087 -10.851 4.343 1.00 10.00 C ATOM 1313 CG ASP B 360 6.569 -10.526 4.282 1.00 10.00 C ATOM 1314 OD1 ASP B 360 7.024 -9.942 3.272 1.00 10.00 O ATOM 1315 OD2 ASP B 360 7.294 -10.867 5.238 1.00 10.00 O ATOM 0 H ASP B 360 2.465 -10.316 4.985 1.00 10.00 H new ATOM 0 HA ASP B 360 4.987 -10.820 6.456 1.00 10.00 H new ATOM 0 HB2 ASP B 360 4.950 -11.929 4.259 1.00 10.00 H new ATOM 0 HB3 ASP B 360 4.583 -10.398 3.489 1.00 10.00 H new ATOM 1320 N PRO B 361 5.379 -8.291 6.569 1.00 10.00 N ATOM 1321 CA PRO B 361 5.493 -6.860 6.721 1.00 10.00 C ATOM 1322 C PRO B 361 6.755 -6.309 6.075 1.00 10.00 C ATOM 1323 O PRO B 361 7.869 -6.804 6.265 1.00 10.00 O ATOM 1324 CB PRO B 361 5.577 -6.724 8.246 1.00 10.00 C ATOM 1325 CG PRO B 361 6.157 -8.025 8.738 1.00 10.00 C ATOM 1326 CD PRO B 361 6.195 -8.982 7.563 1.00 10.00 C ATOM 0 HA PRO B 361 4.677 -6.312 6.250 1.00 10.00 H new ATOM 0 HB2 PRO B 361 6.208 -5.882 8.530 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.592 -6.545 8.678 1.00 10.00 H new ATOM 0 HG2 PRO B 361 7.159 -7.871 9.139 1.00 10.00 H new ATOM 0 HG3 PRO B 361 5.550 -8.434 9.546 1.00 10.00 H new ATOM 0 HD2 PRO B 361 7.212 -9.149 7.208 1.00 10.00 H new ATOM 0 HD3 PRO B 361 5.782 -9.958 7.820 1.00 10.00 H new ATOM 1334 N ILE B 362 6.540 -5.280 5.271 1.00 10.00 N ATOM 1335 CA ILE B 362 7.600 -4.628 4.527 1.00 10.00 C ATOM 1336 C ILE B 362 7.722 -3.168 4.930 1.00 10.00 C ATOM 1337 O ILE B 362 6.718 -2.473 5.101 1.00 10.00 O ATOM 1338 CB ILE B 362 7.357 -4.716 3.007 1.00 10.00 C ATOM 1339 CG1 ILE B 362 6.845 -6.113 2.638 1.00 10.00 C ATOM 1340 CG2 ILE B 362 8.633 -4.383 2.241 1.00 10.00 C ATOM 1341 CD1 ILE B 362 6.357 -6.220 1.212 1.00 10.00 C ATOM 0 H ILE B 362 5.618 -4.873 5.117 1.00 10.00 H new ATOM 0 HA ILE B 362 8.527 -5.149 4.765 1.00 10.00 H new ATOM 0 HB ILE B 362 6.598 -3.985 2.728 1.00 10.00 H new ATOM 0 HG12 ILE B 362 7.644 -6.837 2.795 1.00 10.00 H new ATOM 0 HG13 ILE B 362 6.033 -6.383 3.313 1.00 10.00 H new ATOM 0 HG21 ILE B 362 8.442 -4.450 1.170 1.00 10.00 H new ATOM 0 HG22 ILE B 362 8.953 -3.371 2.490 1.00 10.00 H new ATOM 0 HG23 ILE B 362 9.417 -5.089 2.515 1.00 10.00 H new ATOM 0 HD11 ILE B 362 6.010 -7.236 1.021 1.00 10.00 H new ATOM 0 HD12 ILE B 362 5.536 -5.520 1.055 1.00 10.00 H new ATOM 0 HD13 ILE B 362 7.173 -5.981 0.529 1.00 10.00 H new ATOM 1353 N VAL B 363 8.953 -2.720 5.097 1.00 10.00 N ATOM 1354 CA VAL B 363 9.234 -1.354 5.494 1.00 10.00 C ATOM 1355 C VAL B 363 9.932 -0.631 4.350 1.00 10.00 C ATOM 1356 O VAL B 363 10.844 -1.165 3.721 1.00 10.00 O ATOM 1357 CB VAL B 363 10.096 -1.292 6.775 1.00 10.00 C ATOM 1358 CG1 VAL B 363 10.338 0.148 7.212 1.00 10.00 C ATOM 1359 CG2 VAL B 363 9.428 -2.075 7.893 1.00 10.00 C ATOM 0 H VAL B 363 9.785 -3.293 4.961 1.00 10.00 H new ATOM 0 HA VAL B 363 8.288 -0.863 5.720 1.00 10.00 H new ATOM 0 HB VAL B 363 11.064 -1.741 6.552 1.00 10.00 H new ATOM 0 HG11 VAL B 363 10.947 0.156 8.116 1.00 10.00 H new ATOM 0 HG12 VAL B 363 10.857 0.686 6.419 1.00 10.00 H new ATOM 0 HG13 VAL B 363 9.383 0.632 7.414 1.00 10.00 H new ATOM 0 HG21 VAL B 363 10.044 -2.025 8.791 1.00 10.00 H new ATOM 0 HG22 VAL B 363 8.447 -1.647 8.101 1.00 10.00 H new ATOM 0 HG23 VAL B 363 9.313 -3.116 7.590 1.00 10.00 H new ATOM 1369 N ILE B 364 9.475 0.581 4.096 1.00 10.00 N ATOM 1370 CA ILE B 364 9.957 1.402 2.999 1.00 10.00 C ATOM 1371 C ILE B 364 10.709 2.613 3.529 1.00 10.00 C ATOM 1372 O ILE B 364 10.370 3.162 4.580 1.00 10.00 O ATOM 1373 CB ILE B 364 8.808 1.852 2.055 1.00 10.00 C ATOM 1374 CG1 ILE B 364 9.376 2.318 0.707 1.00 10.00 C ATOM 1375 CG2 ILE B 364 7.960 2.953 2.682 1.00 10.00 C ATOM 1376 CD1 ILE B 364 9.941 1.194 -0.135 1.00 10.00 C ATOM 0 H ILE B 364 8.748 1.030 4.653 1.00 10.00 H new ATOM 0 HA ILE B 364 10.639 0.786 2.412 1.00 10.00 H new ATOM 0 HB ILE B 364 8.161 0.991 1.890 1.00 10.00 H new ATOM 0 HG12 ILE B 364 8.589 2.821 0.145 1.00 10.00 H new ATOM 0 HG13 ILE B 364 10.159 3.054 0.887 1.00 10.00 H new ATOM 0 HG21 ILE B 364 7.168 3.240 1.991 1.00 10.00 H new ATOM 0 HG22 ILE B 364 7.518 2.588 3.609 1.00 10.00 H new ATOM 0 HG23 ILE B 364 8.587 3.819 2.895 1.00 10.00 H new ATOM 0 HD11 ILE B 364 10.324 1.598 -1.072 1.00 10.00 H new ATOM 0 HD12 ILE B 364 10.751 0.705 0.407 1.00 10.00 H new ATOM 0 HD13 ILE B 364 9.156 0.468 -0.347 1.00 10.00 H new HETATM 1388 N SEP B 365 11.745 3.008 2.808 1.00 10.00 N HETATM 1389 CA SEP B 365 12.586 4.106 3.225 1.00 10.00 C HETATM 1390 CB SEP B 365 14.054 3.723 3.016 1.00 10.00 C HETATM 1391 OG SEP B 365 14.175 2.587 2.161 1.00 10.00 O HETATM 1392 C SEP B 365 12.239 5.346 2.413 1.00 10.00 C HETATM 1393 O SEP B 365 12.102 5.308 1.186 1.00 10.00 O HETATM 1394 P SEP B 365 15.199 2.611 0.930 1.00 10.00 P HETATM 1395 O1P SEP B 365 16.079 1.432 0.858 1.00 10.00 O HETATM 1396 O2P SEP B 365 15.917 3.884 0.752 1.00 10.00 O HETATM 1397 O3P SEP B 365 14.279 2.492 -0.369 1.00 10.00 O HETATM 0 HB3 SEP B 365 14.594 4.565 2.584 1.00 10.00 H new HETATM 0 HB2 SEP B 365 14.517 3.507 3.979 1.00 10.00 H new HETATM 0 HA SEP B 365 12.422 4.321 4.281 1.00 10.00 H new HETATM 0 H SEP B 365 12.166 2.153 2.444 1.00 10.00 H new ATOM 1402 N ASP B 366 12.073 6.439 3.147 1.00 10.00 N ATOM 1403 CA ASP B 366 11.631 7.712 2.599 1.00 10.00 C ATOM 1404 C ASP B 366 12.682 8.805 2.737 1.00 10.00 C ATOM 1405 O ASP B 366 13.289 8.967 3.796 1.00 10.00 O ATOM 1406 CB ASP B 366 10.357 8.121 3.347 1.00 10.00 C ATOM 1407 CG ASP B 366 10.158 9.623 3.465 1.00 10.00 C ATOM 1408 OD1 ASP B 366 10.398 10.173 4.570 1.00 10.00 O ATOM 1409 OD2 ASP B 366 9.727 10.245 2.473 1.00 10.00 O ATOM 0 H ASP B 366 12.244 6.465 4.152 1.00 10.00 H new ATOM 0 HA ASP B 366 11.449 7.590 1.531 1.00 10.00 H new ATOM 0 HB2 ASP B 366 9.495 7.691 2.836 1.00 10.00 H new ATOM 0 HB3 ASP B 366 10.382 7.690 4.348 1.00 10.00 H new HETATM 1414 N SEP B 367 12.917 9.516 1.642 1.00 10.00 N HETATM 1415 CA SEP B 367 13.875 10.612 1.619 1.00 10.00 C HETATM 1416 CB SEP B 367 14.520 10.707 0.242 1.00 10.00 C HETATM 1417 OG SEP B 367 15.399 9.615 0.015 1.00 10.00 O HETATM 1418 C SEP B 367 13.192 11.943 1.951 1.00 10.00 C HETATM 1419 O SEP B 367 12.506 12.525 1.109 1.00 10.00 O HETATM 1420 P SEP B 367 14.911 8.350 -0.829 1.00 10.00 P HETATM 1421 O1P SEP B 367 15.573 7.092 -0.439 1.00 10.00 O HETATM 1422 O2P SEP B 367 13.451 8.235 -0.975 1.00 10.00 O HETATM 1423 O3P SEP B 367 15.437 8.632 -2.312 1.00 10.00 O HETATM 0 HB3 SEP B 367 13.746 10.721 -0.526 1.00 10.00 H new HETATM 0 HB2 SEP B 367 15.070 11.644 0.158 1.00 10.00 H new HETATM 0 HA SEP B 367 14.638 10.412 2.372 1.00 10.00 H new HETATM 0 H SEP B 367 12.769 8.950 0.806 1.00 10.00 H new ATOM 1428 N PRO B 368 13.366 12.442 3.183 1.00 10.00 N ATOM 1429 CA PRO B 368 12.767 13.693 3.618 1.00 10.00 C ATOM 1430 C PRO B 368 13.661 14.890 3.310 1.00 10.00 C ATOM 1431 O PRO B 368 13.516 15.473 2.218 1.00 10.00 O ATOM 1432 CB PRO B 368 12.623 13.502 5.137 1.00 10.00 C ATOM 1433 CG PRO B 368 13.373 12.247 5.479 1.00 10.00 C ATOM 1434 CD PRO B 368 14.147 11.844 4.259 1.00 10.00 C ATOM 0 HA PRO B 368 11.825 13.901 3.111 1.00 10.00 H new ATOM 0 HB2 PRO B 368 13.030 14.357 5.676 1.00 10.00 H new ATOM 0 HB3 PRO B 368 11.574 13.417 5.420 1.00 10.00 H new ATOM 0 HG2 PRO B 368 14.044 12.418 6.321 1.00 10.00 H new ATOM 0 HG3 PRO B 368 12.684 11.456 5.776 1.00 10.00 H new ATOM 0 HD2 PRO B 368 15.168 12.225 4.281 1.00 10.00 H new ATOM 0 HD3 PRO B 368 14.214 10.761 4.159 1.00 10.00 H new TER 1442 PRO B 368