USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 663 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.67 (180deg=-0.745) USER MOD Single : A 2 SER OG : rot 47:sc= 0.291 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.126) USER MOD Single : A 14 MET CE :methyl -122:sc= -6.9! (180deg=-16.1!) USER MOD Single : A 18 LYS NZ :NH3+ -114:sc= 1.5 (180deg=-0.963) USER MOD Single : A 20 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.049) USER MOD Single : A 21 LYS NZ :NH3+ -131:sc= -0.346 (180deg=-2.83!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : A 28 THR OG1 : rot -15:sc= 0.782 USER MOD Single : A 30 SER OG : rot -97:sc= 1.29 USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= -0.0463 (180deg=-0.412) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 30:sc= 0.356 USER MOD Single : A 47 MET CE :methyl -142:sc= -0.207 (180deg=-1.98!) USER MOD Single : A 48 MET CE :methyl -163:sc= -2.77! (180deg=-2.86!) USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00955 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 121:sc= 0.939 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.623 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.3) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.209 -2.454 0.128 1.00 13.02 N ATOM 2 CA MET A 1 0.409 -1.353 -0.396 1.00 72.25 C ATOM 3 C MET A 1 0.601 -1.211 -1.903 1.00 24.01 C ATOM 4 O MET A 1 -0.340 -0.897 -2.632 1.00 3.25 O ATOM 5 CB MET A 1 0.782 -0.045 0.303 1.00 41.31 C ATOM 6 CG MET A 1 2.282 0.169 0.432 1.00 35.24 C ATOM 7 SD MET A 1 2.693 1.645 1.382 1.00 4.21 S ATOM 8 CE MET A 1 3.054 2.805 0.066 1.00 54.04 C ATOM 0 H1 MET A 1 1.156 -2.458 1.167 1.00 13.02 H new ATOM 0 H2 MET A 1 0.843 -3.355 -0.241 1.00 13.02 H new ATOM 0 H3 MET A 1 2.199 -2.335 -0.168 1.00 13.02 H new ATOM 0 HA MET A 1 -0.640 -1.574 -0.200 1.00 72.25 H new ATOM 0 HB2 MET A 1 0.351 0.789 -0.250 1.00 41.31 H new ATOM 0 HB3 MET A 1 0.335 -0.033 1.297 1.00 41.31 H new ATOM 0 HG2 MET A 1 2.730 -0.702 0.910 1.00 35.24 H new ATOM 0 HG3 MET A 1 2.721 0.248 -0.563 1.00 35.24 H new ATOM 0 HE1 MET A 1 3.326 3.769 0.495 1.00 54.04 H new ATOM 0 HE2 MET A 1 3.882 2.428 -0.534 1.00 54.04 H new ATOM 0 HE3 MET A 1 2.174 2.924 -0.565 1.00 54.04 H new ATOM 18 N SER A 2 1.826 -1.444 -2.363 1.00 65.01 N ATOM 19 CA SER A 2 2.143 -1.338 -3.783 1.00 11.34 C ATOM 20 C SER A 2 2.363 -2.718 -4.395 1.00 2.41 C ATOM 21 O SER A 2 3.500 -3.149 -4.591 1.00 33.53 O ATOM 22 CB SER A 2 3.388 -0.472 -3.986 1.00 21.43 C ATOM 23 OG SER A 2 4.462 -0.927 -3.180 1.00 52.31 O ATOM 0 H SER A 2 2.615 -1.707 -1.773 1.00 65.01 H new ATOM 0 HA SER A 2 1.297 -0.868 -4.285 1.00 11.34 H new ATOM 0 HB2 SER A 2 3.682 -0.493 -5.035 1.00 21.43 H new ATOM 0 HB3 SER A 2 3.158 0.565 -3.740 1.00 21.43 H new ATOM 0 HG SER A 2 4.550 -1.899 -3.270 1.00 52.31 H new ATOM 29 N THR A 3 1.267 -3.407 -4.696 1.00 14.51 N ATOM 30 CA THR A 3 1.338 -4.738 -5.285 1.00 10.23 C ATOM 31 C THR A 3 0.739 -4.752 -6.686 1.00 50.24 C ATOM 32 O THR A 3 -0.323 -4.176 -6.925 1.00 40.25 O ATOM 33 CB THR A 3 0.605 -5.777 -4.415 1.00 40.31 C ATOM 34 OG1 THR A 3 -0.565 -5.191 -3.834 1.00 12.11 O ATOM 35 CG2 THR A 3 1.516 -6.301 -3.315 1.00 53.21 C ATOM 0 H THR A 3 0.319 -3.065 -4.541 1.00 14.51 H new ATOM 0 HA THR A 3 2.394 -5.002 -5.342 1.00 10.23 H new ATOM 0 HB THR A 3 0.314 -6.612 -5.052 1.00 40.31 H new ATOM 0 HG1 THR A 3 -1.026 -5.858 -3.284 1.00 12.11 H new ATOM 0 HG21 THR A 3 0.977 -7.033 -2.714 1.00 53.21 H new ATOM 0 HG22 THR A 3 2.392 -6.772 -3.761 1.00 53.21 H new ATOM 0 HG23 THR A 3 1.833 -5.474 -2.680 1.00 53.21 H new ATOM 43 N THR A 4 1.426 -5.414 -7.612 1.00 71.30 N ATOM 44 CA THR A 4 0.962 -5.503 -8.991 1.00 32.03 C ATOM 45 C THR A 4 0.772 -4.117 -9.597 1.00 75.50 C ATOM 46 O THR A 4 -0.267 -3.826 -10.190 1.00 35.22 O ATOM 47 CB THR A 4 -0.365 -6.280 -9.088 1.00 65.20 C ATOM 48 OG1 THR A 4 -0.308 -7.450 -8.265 1.00 34.34 O ATOM 49 CG2 THR A 4 -0.653 -6.680 -10.527 1.00 51.01 C ATOM 0 H THR A 4 2.306 -5.897 -7.432 1.00 71.30 H new ATOM 0 HA THR A 4 1.730 -6.039 -9.549 1.00 32.03 H new ATOM 0 HB THR A 4 -1.168 -5.630 -8.740 1.00 65.20 H new ATOM 0 HG1 THR A 4 -1.156 -7.938 -8.331 1.00 34.34 H new ATOM 0 HG21 THR A 4 -1.595 -7.227 -10.571 1.00 51.01 H new ATOM 0 HG22 THR A 4 -0.724 -5.786 -11.146 1.00 51.01 H new ATOM 0 HG23 THR A 4 0.153 -7.314 -10.897 1.00 51.01 H new ATOM 57 N ASP A 5 1.781 -3.267 -9.446 1.00 13.04 N ATOM 58 CA ASP A 5 1.725 -1.911 -9.980 1.00 70.43 C ATOM 59 C ASP A 5 2.819 -1.692 -11.021 1.00 21.15 C ATOM 60 O ASP A 5 2.625 -0.972 -12.000 1.00 14.31 O ATOM 61 CB ASP A 5 1.865 -0.889 -8.852 1.00 12.24 C ATOM 62 CG ASP A 5 2.109 0.515 -9.369 1.00 42.01 C ATOM 63 OD1 ASP A 5 3.254 0.807 -9.775 1.00 52.21 O ATOM 64 OD2 ASP A 5 1.156 1.321 -9.369 1.00 12.30 O ATOM 0 H ASP A 5 2.648 -3.493 -8.958 1.00 13.04 H new ATOM 0 HA ASP A 5 0.757 -1.777 -10.462 1.00 70.43 H new ATOM 0 HB2 ASP A 5 0.960 -0.897 -8.244 1.00 12.24 H new ATOM 0 HB3 ASP A 5 2.689 -1.181 -8.201 1.00 12.24 H new ATOM 69 N LYS A 6 3.971 -2.317 -10.801 1.00 32.20 N ATOM 70 CA LYS A 6 5.097 -2.192 -11.718 1.00 41.44 C ATOM 71 C LYS A 6 4.924 -3.112 -12.922 1.00 72.50 C ATOM 72 O LYS A 6 5.615 -2.967 -13.931 1.00 33.01 O ATOM 73 CB LYS A 6 6.407 -2.518 -10.998 1.00 2.22 C ATOM 74 CG LYS A 6 7.121 -1.294 -10.449 1.00 73.25 C ATOM 75 CD LYS A 6 7.998 -0.641 -11.504 1.00 63.11 C ATOM 76 CE LYS A 6 9.217 0.024 -10.882 1.00 34.33 C ATOM 77 NZ LYS A 6 10.305 0.229 -11.877 1.00 1.52 N ATOM 0 H LYS A 6 4.149 -2.916 -9.995 1.00 32.20 H new ATOM 0 HA LYS A 6 5.131 -1.162 -12.072 1.00 41.44 H new ATOM 0 HB2 LYS A 6 6.200 -3.205 -10.178 1.00 2.22 H new ATOM 0 HB3 LYS A 6 7.072 -3.037 -11.689 1.00 2.22 H new ATOM 0 HG2 LYS A 6 6.386 -0.574 -10.089 1.00 73.25 H new ATOM 0 HG3 LYS A 6 7.732 -1.581 -9.593 1.00 73.25 H new ATOM 0 HD2 LYS A 6 8.320 -1.391 -12.226 1.00 63.11 H new ATOM 0 HD3 LYS A 6 7.418 0.101 -12.053 1.00 63.11 H new ATOM 0 HE2 LYS A 6 8.929 0.985 -10.456 1.00 34.33 H new ATOM 0 HE3 LYS A 6 9.587 -0.590 -10.061 1.00 34.33 H new ATOM 0 HZ1 LYS A 6 11.117 0.684 -11.414 1.00 1.52 H new ATOM 0 HZ2 LYS A 6 10.598 -0.690 -12.265 1.00 1.52 H new ATOM 0 HZ3 LYS A 6 9.961 0.836 -12.648 1.00 1.52 H new ATOM 91 N ILE A 7 3.997 -4.058 -12.809 1.00 62.11 N ATOM 92 CA ILE A 7 3.732 -5.000 -13.889 1.00 63.15 C ATOM 93 C ILE A 7 3.018 -4.318 -15.051 1.00 42.52 C ATOM 94 O ILE A 7 3.178 -4.709 -16.207 1.00 24.14 O ATOM 95 CB ILE A 7 2.880 -6.188 -13.404 1.00 42.24 C ATOM 96 CG1 ILE A 7 3.433 -6.735 -12.087 1.00 34.52 C ATOM 97 CG2 ILE A 7 2.842 -7.279 -14.463 1.00 73.44 C ATOM 98 CD1 ILE A 7 2.647 -7.909 -11.543 1.00 43.45 C ATOM 0 H ILE A 7 3.417 -4.192 -11.980 1.00 62.11 H new ATOM 0 HA ILE A 7 4.699 -5.371 -14.228 1.00 63.15 H new ATOM 0 HB ILE A 7 1.861 -5.840 -13.232 1.00 42.24 H new ATOM 0 HG12 ILE A 7 4.469 -7.039 -12.236 1.00 34.52 H new ATOM 0 HG13 ILE A 7 3.439 -5.937 -11.345 1.00 34.52 H new ATOM 0 HG21 ILE A 7 2.236 -8.112 -14.106 1.00 73.44 H new ATOM 0 HG22 ILE A 7 2.407 -6.881 -15.380 1.00 73.44 H new ATOM 0 HG23 ILE A 7 3.855 -7.627 -14.663 1.00 73.44 H new ATOM 0 HD11 ILE A 7 3.095 -8.245 -10.608 1.00 43.45 H new ATOM 0 HD12 ILE A 7 1.616 -7.604 -11.362 1.00 43.45 H new ATOM 0 HD13 ILE A 7 2.663 -8.724 -12.267 1.00 43.45 H new ATOM 110 N GLU A 8 2.231 -3.294 -14.736 1.00 2.34 N ATOM 111 CA GLU A 8 1.493 -2.556 -15.754 1.00 44.12 C ATOM 112 C GLU A 8 2.446 -1.802 -16.677 1.00 4.40 C ATOM 113 O GLU A 8 2.231 -1.734 -17.887 1.00 15.34 O ATOM 114 CB GLU A 8 0.518 -1.576 -15.099 1.00 55.15 C ATOM 115 CG GLU A 8 -0.596 -1.116 -16.025 1.00 41.33 C ATOM 116 CD GLU A 8 -1.729 -0.436 -15.282 1.00 34.22 C ATOM 117 OE1 GLU A 8 -2.482 -1.141 -14.576 1.00 42.24 O ATOM 118 OE2 GLU A 8 -1.864 0.799 -15.405 1.00 74.11 O ATOM 0 H GLU A 8 2.088 -2.957 -13.784 1.00 2.34 H new ATOM 0 HA GLU A 8 0.929 -3.274 -16.350 1.00 44.12 H new ATOM 0 HB2 GLU A 8 0.077 -2.047 -14.220 1.00 55.15 H new ATOM 0 HB3 GLU A 8 1.072 -0.705 -14.749 1.00 55.15 H new ATOM 0 HG2 GLU A 8 -0.187 -0.428 -16.765 1.00 41.33 H new ATOM 0 HG3 GLU A 8 -0.988 -1.975 -16.570 1.00 41.33 H new ATOM 125 N GLN A 9 3.500 -1.236 -16.096 1.00 33.51 N ATOM 126 CA GLN A 9 4.485 -0.486 -16.866 1.00 31.04 C ATOM 127 C GLN A 9 5.590 -1.404 -17.378 1.00 31.03 C ATOM 128 O GLN A 9 6.302 -1.068 -18.324 1.00 5.02 O ATOM 129 CB GLN A 9 5.088 0.630 -16.011 1.00 40.21 C ATOM 130 CG GLN A 9 5.818 1.690 -16.821 1.00 72.41 C ATOM 131 CD GLN A 9 5.940 3.008 -16.082 1.00 73.24 C ATOM 132 OE1 GLN A 9 6.802 3.171 -15.219 1.00 0.32 O ATOM 133 NE2 GLN A 9 5.075 3.958 -16.419 1.00 33.51 N ATOM 0 H GLN A 9 3.693 -1.283 -15.096 1.00 33.51 H new ATOM 0 HA GLN A 9 3.979 -0.044 -17.724 1.00 31.04 H new ATOM 0 HB2 GLN A 9 4.293 1.106 -15.437 1.00 40.21 H new ATOM 0 HB3 GLN A 9 5.781 0.192 -15.293 1.00 40.21 H new ATOM 0 HG2 GLN A 9 6.814 1.326 -17.074 1.00 72.41 H new ATOM 0 HG3 GLN A 9 5.289 1.852 -17.760 1.00 72.41 H new ATOM 0 HE21 GLN A 9 4.377 3.779 -17.141 1.00 33.51 H new ATOM 0 HE22 GLN A 9 5.109 4.866 -15.956 1.00 33.51 H new ATOM 142 N LYS A 10 5.728 -2.565 -16.746 1.00 74.03 N ATOM 143 CA LYS A 10 6.745 -3.533 -17.138 1.00 21.33 C ATOM 144 C LYS A 10 6.226 -4.453 -18.239 1.00 4.33 C ATOM 145 O LYS A 10 7.006 -5.049 -18.982 1.00 31.23 O ATOM 146 CB LYS A 10 7.180 -4.364 -15.928 1.00 44.41 C ATOM 147 CG LYS A 10 7.973 -5.606 -16.296 1.00 51.15 C ATOM 148 CD LYS A 10 8.440 -6.356 -15.061 1.00 21.25 C ATOM 149 CE LYS A 10 7.265 -6.854 -14.233 1.00 12.40 C ATOM 150 NZ LYS A 10 7.300 -6.320 -12.843 1.00 54.22 N ATOM 0 H LYS A 10 5.148 -2.858 -15.960 1.00 74.03 H new ATOM 0 HA LYS A 10 7.604 -2.984 -17.523 1.00 21.33 H new ATOM 0 HB2 LYS A 10 7.783 -3.741 -15.268 1.00 44.41 H new ATOM 0 HB3 LYS A 10 6.295 -4.662 -15.365 1.00 44.41 H new ATOM 0 HG2 LYS A 10 7.357 -6.263 -16.910 1.00 51.15 H new ATOM 0 HG3 LYS A 10 8.836 -5.322 -16.898 1.00 51.15 H new ATOM 0 HD2 LYS A 10 9.060 -7.201 -15.360 1.00 21.25 H new ATOM 0 HD3 LYS A 10 9.065 -5.703 -14.452 1.00 21.25 H new ATOM 0 HE2 LYS A 10 6.332 -6.558 -14.712 1.00 12.40 H new ATOM 0 HE3 LYS A 10 7.277 -7.944 -14.204 1.00 12.40 H new ATOM 0 HZ1 LYS A 10 6.636 -6.855 -12.249 1.00 54.22 H new ATOM 0 HZ2 LYS A 10 8.262 -6.415 -12.459 1.00 54.22 H new ATOM 0 HZ3 LYS A 10 7.027 -5.316 -12.850 1.00 54.22 H new ATOM 164 N VAL A 11 4.905 -4.562 -18.339 1.00 4.30 N ATOM 165 CA VAL A 11 4.283 -5.406 -19.351 1.00 74.41 C ATOM 166 C VAL A 11 4.785 -5.053 -20.747 1.00 30.25 C ATOM 167 O VAL A 11 4.849 -5.909 -21.629 1.00 72.43 O ATOM 168 CB VAL A 11 2.748 -5.278 -19.322 1.00 60.42 C ATOM 169 CG1 VAL A 11 2.318 -3.900 -19.802 1.00 32.45 C ATOM 170 CG2 VAL A 11 2.107 -6.370 -20.166 1.00 52.31 C ATOM 0 H VAL A 11 4.245 -4.076 -17.731 1.00 4.30 H new ATOM 0 HA VAL A 11 4.560 -6.434 -19.118 1.00 74.41 H new ATOM 0 HB VAL A 11 2.409 -5.400 -18.293 1.00 60.42 H new ATOM 0 HG11 VAL A 11 1.231 -3.828 -19.775 1.00 32.45 H new ATOM 0 HG12 VAL A 11 2.749 -3.138 -19.153 1.00 32.45 H new ATOM 0 HG13 VAL A 11 2.666 -3.745 -20.823 1.00 32.45 H new ATOM 0 HG21 VAL A 11 1.023 -6.265 -20.134 1.00 52.31 H new ATOM 0 HG22 VAL A 11 2.450 -6.282 -21.197 1.00 52.31 H new ATOM 0 HG23 VAL A 11 2.388 -7.347 -19.772 1.00 52.31 H new ATOM 180 N ILE A 12 5.141 -3.788 -20.938 1.00 52.44 N ATOM 181 CA ILE A 12 5.639 -3.322 -22.226 1.00 43.44 C ATOM 182 C ILE A 12 6.846 -4.137 -22.677 1.00 24.45 C ATOM 183 O ILE A 12 6.977 -4.473 -23.853 1.00 74.11 O ATOM 184 CB ILE A 12 6.031 -1.833 -22.173 1.00 53.05 C ATOM 185 CG1 ILE A 12 6.562 -1.374 -23.533 1.00 24.31 C ATOM 186 CG2 ILE A 12 7.068 -1.596 -21.086 1.00 32.42 C ATOM 187 CD1 ILE A 12 7.113 0.035 -23.522 1.00 74.34 C ATOM 0 H ILE A 12 5.094 -3.067 -20.218 1.00 52.44 H new ATOM 0 HA ILE A 12 4.828 -3.451 -22.943 1.00 43.44 H new ATOM 0 HB ILE A 12 5.143 -1.247 -21.934 1.00 53.05 H new ATOM 0 HG12 ILE A 12 7.345 -2.059 -23.858 1.00 24.31 H new ATOM 0 HG13 ILE A 12 5.759 -1.436 -24.267 1.00 24.31 H new ATOM 0 HG21 ILE A 12 7.334 -0.539 -21.061 1.00 32.42 H new ATOM 0 HG22 ILE A 12 6.656 -1.889 -20.120 1.00 32.42 H new ATOM 0 HG23 ILE A 12 7.958 -2.190 -21.296 1.00 32.42 H new ATOM 0 HD11 ILE A 12 7.471 0.293 -24.518 1.00 74.34 H new ATOM 0 HD12 ILE A 12 6.327 0.731 -23.227 1.00 74.34 H new ATOM 0 HD13 ILE A 12 7.938 0.098 -22.812 1.00 74.34 H new ATOM 199 N GLU A 13 7.726 -4.454 -21.731 1.00 73.11 N ATOM 200 CA GLU A 13 8.922 -5.232 -22.031 1.00 40.01 C ATOM 201 C GLU A 13 8.586 -6.714 -22.173 1.00 1.23 C ATOM 202 O GLU A 13 9.304 -7.463 -22.835 1.00 32.05 O ATOM 203 CB GLU A 13 9.972 -5.038 -20.935 1.00 34.23 C ATOM 204 CG GLU A 13 11.347 -5.563 -21.309 1.00 63.25 C ATOM 205 CD GLU A 13 12.380 -5.318 -20.227 1.00 21.35 C ATOM 206 OE1 GLU A 13 12.982 -4.224 -20.218 1.00 61.13 O ATOM 207 OE2 GLU A 13 12.587 -6.220 -19.388 1.00 34.10 O ATOM 0 H GLU A 13 7.633 -4.184 -20.752 1.00 73.11 H new ATOM 0 HA GLU A 13 9.327 -4.877 -22.979 1.00 40.01 H new ATOM 0 HB2 GLU A 13 10.049 -3.976 -20.702 1.00 34.23 H new ATOM 0 HB3 GLU A 13 9.635 -5.540 -20.028 1.00 34.23 H new ATOM 0 HG2 GLU A 13 11.281 -6.633 -21.508 1.00 63.25 H new ATOM 0 HG3 GLU A 13 11.674 -5.087 -22.233 1.00 63.25 H new ATOM 214 N MET A 14 7.490 -7.129 -21.545 1.00 45.43 N ATOM 215 CA MET A 14 7.059 -8.520 -21.602 1.00 33.44 C ATOM 216 C MET A 14 6.516 -8.866 -22.985 1.00 15.44 C ATOM 217 O MET A 14 7.061 -9.722 -23.681 1.00 2.22 O ATOM 218 CB MET A 14 5.991 -8.789 -20.540 1.00 14.23 C ATOM 219 CG MET A 14 5.594 -10.252 -20.433 1.00 74.23 C ATOM 220 SD MET A 14 6.730 -11.208 -19.410 1.00 12.51 S ATOM 221 CE MET A 14 7.610 -12.139 -20.661 1.00 21.53 C ATOM 0 H MET A 14 6.885 -6.522 -20.992 1.00 45.43 H new ATOM 0 HA MET A 14 7.926 -9.151 -21.404 1.00 33.44 H new ATOM 0 HB2 MET A 14 6.360 -8.450 -19.572 1.00 14.23 H new ATOM 0 HB3 MET A 14 5.105 -8.197 -20.769 1.00 14.23 H new ATOM 0 HG2 MET A 14 4.589 -10.322 -20.016 1.00 74.23 H new ATOM 0 HG3 MET A 14 5.556 -10.688 -21.431 1.00 74.23 H new ATOM 0 HE1 MET A 14 7.496 -13.206 -20.468 1.00 21.53 H new ATOM 0 HE2 MET A 14 7.203 -11.903 -21.644 1.00 21.53 H new ATOM 0 HE3 MET A 14 8.667 -11.876 -20.633 1.00 21.53 H new ATOM 231 N VAL A 15 5.437 -8.194 -23.377 1.00 24.14 N ATOM 232 CA VAL A 15 4.821 -8.429 -24.677 1.00 20.42 C ATOM 233 C VAL A 15 5.824 -8.222 -25.806 1.00 60.31 C ATOM 234 O VAL A 15 5.669 -8.771 -26.896 1.00 73.44 O ATOM 235 CB VAL A 15 3.613 -7.501 -24.901 1.00 73.04 C ATOM 236 CG1 VAL A 15 3.006 -7.737 -26.276 1.00 44.34 C ATOM 237 CG2 VAL A 15 2.574 -7.706 -23.809 1.00 52.23 C ATOM 0 H VAL A 15 4.972 -7.483 -22.812 1.00 24.14 H new ATOM 0 HA VAL A 15 4.480 -9.464 -24.684 1.00 20.42 H new ATOM 0 HB VAL A 15 3.957 -6.468 -24.854 1.00 73.04 H new ATOM 0 HG11 VAL A 15 2.154 -7.072 -26.416 1.00 44.34 H new ATOM 0 HG12 VAL A 15 3.754 -7.535 -27.043 1.00 44.34 H new ATOM 0 HG13 VAL A 15 2.675 -8.773 -26.355 1.00 44.34 H new ATOM 0 HG21 VAL A 15 1.727 -7.042 -23.983 1.00 52.23 H new ATOM 0 HG22 VAL A 15 2.232 -8.741 -23.822 1.00 52.23 H new ATOM 0 HG23 VAL A 15 3.017 -7.482 -22.839 1.00 52.23 H new ATOM 247 N ALA A 16 6.854 -7.426 -25.537 1.00 32.41 N ATOM 248 CA ALA A 16 7.884 -7.148 -26.530 1.00 23.45 C ATOM 249 C ALA A 16 8.833 -8.333 -26.683 1.00 13.33 C ATOM 250 O ALA A 16 9.478 -8.492 -27.718 1.00 73.43 O ATOM 251 CB ALA A 16 8.659 -5.895 -26.149 1.00 71.34 C ATOM 0 H ALA A 16 6.997 -6.963 -24.640 1.00 32.41 H new ATOM 0 HA ALA A 16 7.394 -6.982 -27.489 1.00 23.45 H new ATOM 0 HB1 ALA A 16 9.425 -5.699 -26.899 1.00 71.34 H new ATOM 0 HB2 ALA A 16 7.976 -5.047 -26.097 1.00 71.34 H new ATOM 0 HB3 ALA A 16 9.131 -6.041 -25.177 1.00 71.34 H new ATOM 257 N GLU A 17 8.912 -9.159 -25.645 1.00 23.44 N ATOM 258 CA GLU A 17 9.784 -10.328 -25.665 1.00 31.31 C ATOM 259 C GLU A 17 8.976 -11.606 -25.877 1.00 43.51 C ATOM 260 O GLU A 17 9.524 -12.647 -26.239 1.00 33.31 O ATOM 261 CB GLU A 17 10.576 -10.424 -24.360 1.00 4.25 C ATOM 262 CG GLU A 17 11.968 -11.008 -24.534 1.00 2.02 C ATOM 263 CD GLU A 17 12.748 -11.056 -23.234 1.00 35.51 C ATOM 264 OE1 GLU A 17 12.255 -11.680 -22.271 1.00 31.34 O ATOM 265 OE2 GLU A 17 13.849 -10.471 -23.180 1.00 0.03 O ATOM 0 H GLU A 17 8.384 -9.041 -24.781 1.00 23.44 H new ATOM 0 HA GLU A 17 10.480 -10.216 -26.496 1.00 31.31 H new ATOM 0 HB2 GLU A 17 10.661 -9.429 -23.922 1.00 4.25 H new ATOM 0 HB3 GLU A 17 10.020 -11.038 -23.652 1.00 4.25 H new ATOM 0 HG2 GLU A 17 11.887 -12.016 -24.942 1.00 2.02 H new ATOM 0 HG3 GLU A 17 12.519 -10.413 -25.262 1.00 2.02 H new ATOM 272 N LYS A 18 7.670 -11.517 -25.649 1.00 23.52 N ATOM 273 CA LYS A 18 6.785 -12.664 -25.815 1.00 20.02 C ATOM 274 C LYS A 18 6.651 -13.039 -27.287 1.00 70.22 C ATOM 275 O LYS A 18 6.945 -14.169 -27.680 1.00 35.33 O ATOM 276 CB LYS A 18 5.405 -12.358 -25.228 1.00 22.32 C ATOM 277 CG LYS A 18 4.441 -13.529 -25.299 1.00 73.44 C ATOM 278 CD LYS A 18 3.510 -13.413 -26.495 1.00 21.10 C ATOM 279 CE LYS A 18 2.188 -12.767 -26.111 1.00 51.53 C ATOM 280 NZ LYS A 18 2.264 -11.280 -26.157 1.00 13.04 N ATOM 0 H LYS A 18 7.201 -10.662 -25.349 1.00 23.52 H new ATOM 0 HA LYS A 18 7.221 -13.508 -25.281 1.00 20.02 H new ATOM 0 HB2 LYS A 18 5.521 -12.056 -24.187 1.00 22.32 H new ATOM 0 HB3 LYS A 18 4.973 -11.510 -25.759 1.00 22.32 H new ATOM 0 HG2 LYS A 18 5.003 -14.461 -25.363 1.00 73.44 H new ATOM 0 HG3 LYS A 18 3.853 -13.574 -24.382 1.00 73.44 H new ATOM 0 HD2 LYS A 18 3.991 -12.824 -27.276 1.00 21.10 H new ATOM 0 HD3 LYS A 18 3.325 -14.403 -26.911 1.00 21.10 H new ATOM 0 HE2 LYS A 18 1.405 -13.112 -26.787 1.00 51.53 H new ATOM 0 HE3 LYS A 18 1.906 -13.086 -25.107 1.00 51.53 H new ATOM 0 HZ1 LYS A 18 2.156 -10.897 -25.196 1.00 13.04 H new ATOM 0 HZ2 LYS A 18 3.185 -10.991 -26.543 1.00 13.04 H new ATOM 0 HZ3 LYS A 18 1.504 -10.912 -26.764 1.00 13.04 H new ATOM 294 N LEU A 19 6.208 -12.085 -28.098 1.00 54.01 N ATOM 295 CA LEU A 19 6.036 -12.315 -29.528 1.00 43.14 C ATOM 296 C LEU A 19 6.980 -11.432 -30.339 1.00 21.13 C ATOM 297 O LEU A 19 6.753 -11.187 -31.523 1.00 22.13 O ATOM 298 CB LEU A 19 4.588 -12.044 -29.939 1.00 11.23 C ATOM 299 CG LEU A 19 3.914 -13.128 -30.780 1.00 63.51 C ATOM 300 CD1 LEU A 19 4.784 -13.496 -31.973 1.00 13.24 C ATOM 301 CD2 LEU A 19 3.623 -14.358 -29.931 1.00 52.45 C ATOM 0 H LEU A 19 5.961 -11.145 -27.790 1.00 54.01 H new ATOM 0 HA LEU A 19 6.276 -13.358 -29.734 1.00 43.14 H new ATOM 0 HB2 LEU A 19 3.997 -11.894 -29.035 1.00 11.23 H new ATOM 0 HB3 LEU A 19 4.559 -11.109 -30.498 1.00 11.23 H new ATOM 0 HG LEU A 19 2.968 -12.736 -31.153 1.00 63.51 H new ATOM 0 HD11 LEU A 19 4.288 -14.269 -32.560 1.00 13.24 H new ATOM 0 HD12 LEU A 19 4.942 -12.614 -32.594 1.00 13.24 H new ATOM 0 HD13 LEU A 19 5.746 -13.869 -31.621 1.00 13.24 H new ATOM 0 HD21 LEU A 19 3.143 -15.119 -30.546 1.00 52.45 H new ATOM 0 HD22 LEU A 19 4.556 -14.752 -29.529 1.00 52.45 H new ATOM 0 HD23 LEU A 19 2.961 -14.085 -29.110 1.00 52.45 H new ATOM 313 N ASN A 20 8.041 -10.959 -29.692 1.00 73.03 N ATOM 314 CA ASN A 20 9.020 -10.105 -30.353 1.00 44.35 C ATOM 315 C ASN A 20 8.347 -8.884 -30.973 1.00 3.41 C ATOM 316 O ASN A 20 8.370 -8.699 -32.190 1.00 0.41 O ATOM 317 CB ASN A 20 9.768 -10.891 -31.432 1.00 41.12 C ATOM 318 CG ASN A 20 11.166 -10.356 -31.673 1.00 43.33 C ATOM 319 OD1 ASN A 20 11.543 -10.060 -32.808 1.00 31.25 O ATOM 320 ND2 ASN A 20 11.944 -10.229 -30.604 1.00 55.31 N ATOM 0 H ASN A 20 8.244 -11.153 -28.711 1.00 73.03 H new ATOM 0 HA ASN A 20 9.732 -9.763 -29.602 1.00 44.35 H new ATOM 0 HB2 ASN A 20 9.829 -11.939 -31.138 1.00 41.12 H new ATOM 0 HB3 ASN A 20 9.202 -10.853 -32.363 1.00 41.12 H new ATOM 0 HD21 ASN A 20 12.895 -9.874 -30.705 1.00 55.31 H new ATOM 0 HD22 ASN A 20 11.590 -10.486 -29.682 1.00 55.31 H new ATOM 327 N LYS A 21 7.749 -8.052 -30.127 1.00 31.01 N ATOM 328 CA LYS A 21 7.070 -6.847 -30.589 1.00 5.11 C ATOM 329 C LYS A 21 7.835 -5.596 -30.167 1.00 63.43 C ATOM 330 O LYS A 21 8.050 -5.360 -28.978 1.00 54.23 O ATOM 331 CB LYS A 21 5.644 -6.796 -30.036 1.00 43.02 C ATOM 332 CG LYS A 21 4.613 -6.343 -31.055 1.00 50.21 C ATOM 333 CD LYS A 21 3.661 -7.468 -31.423 1.00 60.44 C ATOM 334 CE LYS A 21 2.275 -6.939 -31.759 1.00 43.03 C ATOM 335 NZ LYS A 21 2.101 -6.730 -33.223 1.00 61.34 N ATOM 0 H LYS A 21 7.721 -8.190 -29.117 1.00 31.01 H new ATOM 0 HA LYS A 21 7.030 -6.878 -31.678 1.00 5.11 H new ATOM 0 HB2 LYS A 21 5.370 -7.785 -29.669 1.00 43.02 H new ATOM 0 HB3 LYS A 21 5.619 -6.121 -29.181 1.00 43.02 H new ATOM 0 HG2 LYS A 21 4.047 -5.503 -30.652 1.00 50.21 H new ATOM 0 HG3 LYS A 21 5.119 -5.986 -31.952 1.00 50.21 H new ATOM 0 HD2 LYS A 21 4.058 -8.018 -32.276 1.00 60.44 H new ATOM 0 HD3 LYS A 21 3.591 -8.173 -30.594 1.00 60.44 H new ATOM 0 HE2 LYS A 21 1.522 -7.640 -31.400 1.00 43.03 H new ATOM 0 HE3 LYS A 21 2.109 -5.998 -31.235 1.00 43.03 H new ATOM 0 HZ1 LYS A 21 1.707 -5.783 -33.394 1.00 61.34 H new ATOM 0 HZ2 LYS A 21 3.023 -6.812 -33.697 1.00 61.34 H new ATOM 0 HZ3 LYS A 21 1.451 -7.449 -33.601 1.00 61.34 H new ATOM 349 N ASP A 22 8.243 -4.799 -31.148 1.00 51.14 N ATOM 350 CA ASP A 22 8.982 -3.571 -30.879 1.00 14.24 C ATOM 351 C ASP A 22 8.192 -2.655 -29.949 1.00 10.21 C ATOM 352 O ASP A 22 6.965 -2.732 -29.878 1.00 42.33 O ATOM 353 CB ASP A 22 9.297 -2.842 -32.186 1.00 33.30 C ATOM 354 CG ASP A 22 10.629 -2.120 -32.140 1.00 32.02 C ATOM 355 OD1 ASP A 22 11.575 -2.658 -31.527 1.00 12.14 O ATOM 356 OD2 ASP A 22 10.726 -1.017 -32.717 1.00 73.34 O ATOM 0 H ASP A 22 8.074 -4.981 -32.137 1.00 51.14 H new ATOM 0 HA ASP A 22 9.917 -3.839 -30.388 1.00 14.24 H new ATOM 0 HB2 ASP A 22 9.304 -3.560 -33.006 1.00 33.30 H new ATOM 0 HB3 ASP A 22 8.505 -2.124 -32.398 1.00 33.30 H new ATOM 361 N LYS A 23 8.904 -1.789 -29.236 1.00 15.53 N ATOM 362 CA LYS A 23 8.271 -0.857 -28.310 1.00 12.23 C ATOM 363 C LYS A 23 7.217 -0.014 -29.021 1.00 32.30 C ATOM 364 O LYS A 23 6.198 0.348 -28.433 1.00 70.23 O ATOM 365 CB LYS A 23 9.322 0.054 -27.672 1.00 44.34 C ATOM 366 CG LYS A 23 9.955 -0.530 -26.421 1.00 43.23 C ATOM 367 CD LYS A 23 10.996 -1.583 -26.762 1.00 71.14 C ATOM 368 CE LYS A 23 12.266 -0.954 -27.313 1.00 42.35 C ATOM 369 NZ LYS A 23 13.241 -1.982 -27.771 1.00 41.04 N ATOM 0 H LYS A 23 9.920 -1.713 -29.282 1.00 15.53 H new ATOM 0 HA LYS A 23 7.780 -1.438 -27.529 1.00 12.23 H new ATOM 0 HB2 LYS A 23 10.104 0.259 -28.403 1.00 44.34 H new ATOM 0 HB3 LYS A 23 8.860 1.009 -27.423 1.00 44.34 H new ATOM 0 HG2 LYS A 23 10.419 0.267 -25.841 1.00 43.23 H new ATOM 0 HG3 LYS A 23 9.181 -0.972 -25.793 1.00 43.23 H new ATOM 0 HD2 LYS A 23 11.234 -2.163 -25.870 1.00 71.14 H new ATOM 0 HD3 LYS A 23 10.586 -2.278 -27.495 1.00 71.14 H new ATOM 0 HE2 LYS A 23 12.014 -0.296 -28.145 1.00 42.35 H new ATOM 0 HE3 LYS A 23 12.727 -0.333 -26.544 1.00 42.35 H new ATOM 0 HZ1 LYS A 23 14.093 -1.513 -28.139 1.00 41.04 H new ATOM 0 HZ2 LYS A 23 13.501 -2.594 -26.972 1.00 41.04 H new ATOM 0 HZ3 LYS A 23 12.811 -2.558 -28.522 1.00 41.04 H new ATOM 383 N ALA A 24 7.468 0.293 -30.289 1.00 64.02 N ATOM 384 CA ALA A 24 6.539 1.090 -31.081 1.00 64.41 C ATOM 385 C ALA A 24 5.289 0.290 -31.429 1.00 33.40 C ATOM 386 O ALA A 24 4.253 0.859 -31.774 1.00 73.21 O ATOM 387 CB ALA A 24 7.219 1.588 -32.348 1.00 13.21 C ATOM 0 H ALA A 24 8.307 0.002 -30.790 1.00 64.02 H new ATOM 0 HA ALA A 24 6.234 1.949 -30.483 1.00 64.41 H new ATOM 0 HB1 ALA A 24 6.514 2.182 -32.930 1.00 13.21 H new ATOM 0 HB2 ALA A 24 8.078 2.203 -32.082 1.00 13.21 H new ATOM 0 HB3 ALA A 24 7.552 0.736 -32.941 1.00 13.21 H new ATOM 393 N ILE A 25 5.393 -1.032 -31.337 1.00 15.23 N ATOM 394 CA ILE A 25 4.269 -1.909 -31.642 1.00 0.05 C ATOM 395 C ILE A 25 3.463 -2.226 -30.387 1.00 13.24 C ATOM 396 O ILE A 25 2.266 -2.506 -30.460 1.00 52.11 O ATOM 397 CB ILE A 25 4.742 -3.228 -32.281 1.00 11.12 C ATOM 398 CG1 ILE A 25 5.811 -2.952 -33.340 1.00 25.14 C ATOM 399 CG2 ILE A 25 3.564 -3.973 -32.891 1.00 41.22 C ATOM 400 CD1 ILE A 25 5.297 -2.173 -34.530 1.00 33.41 C ATOM 0 H ILE A 25 6.244 -1.519 -31.054 1.00 15.23 H new ATOM 0 HA ILE A 25 3.637 -1.376 -32.352 1.00 0.05 H new ATOM 0 HB ILE A 25 5.180 -3.855 -31.504 1.00 11.12 H new ATOM 0 HG12 ILE A 25 6.631 -2.399 -32.881 1.00 25.14 H new ATOM 0 HG13 ILE A 25 6.221 -3.901 -33.687 1.00 25.14 H new ATOM 0 HG21 ILE A 25 3.914 -4.903 -33.339 1.00 41.22 H new ATOM 0 HG22 ILE A 25 2.833 -4.197 -32.114 1.00 41.22 H new ATOM 0 HG23 ILE A 25 3.099 -3.353 -33.658 1.00 41.22 H new ATOM 0 HD11 ILE A 25 6.109 -2.014 -35.239 1.00 33.41 H new ATOM 0 HD12 ILE A 25 4.497 -2.733 -35.014 1.00 33.41 H new ATOM 0 HD13 ILE A 25 4.914 -1.209 -34.196 1.00 33.41 H new ATOM 412 N ILE A 26 4.126 -2.178 -29.236 1.00 53.22 N ATOM 413 CA ILE A 26 3.470 -2.457 -27.965 1.00 12.32 C ATOM 414 C ILE A 26 2.194 -1.635 -27.812 1.00 63.03 C ATOM 415 O ILE A 26 2.236 -0.405 -27.761 1.00 64.23 O ATOM 416 CB ILE A 26 4.402 -2.163 -26.774 1.00 74.12 C ATOM 417 CG1 ILE A 26 5.637 -3.064 -26.831 1.00 41.12 C ATOM 418 CG2 ILE A 26 3.659 -2.356 -25.460 1.00 40.34 C ATOM 419 CD1 ILE A 26 5.309 -4.541 -26.817 1.00 44.55 C ATOM 0 H ILE A 26 5.117 -1.949 -29.158 1.00 53.22 H new ATOM 0 HA ILE A 26 3.218 -3.518 -27.966 1.00 12.32 H new ATOM 0 HB ILE A 26 4.729 -1.125 -26.835 1.00 74.12 H new ATOM 0 HG12 ILE A 26 6.203 -2.834 -27.734 1.00 41.12 H new ATOM 0 HG13 ILE A 26 6.283 -2.835 -25.983 1.00 41.12 H new ATOM 0 HG21 ILE A 26 4.331 -2.145 -24.628 1.00 40.34 H new ATOM 0 HG22 ILE A 26 2.807 -1.677 -25.420 1.00 40.34 H new ATOM 0 HG23 ILE A 26 3.306 -3.385 -25.389 1.00 40.34 H new ATOM 0 HD11 ILE A 26 6.232 -5.119 -26.860 1.00 44.55 H new ATOM 0 HD12 ILE A 26 4.770 -4.785 -25.902 1.00 44.55 H new ATOM 0 HD13 ILE A 26 4.689 -4.784 -27.680 1.00 44.55 H new ATOM 431 N THR A 27 1.059 -2.323 -27.738 1.00 51.21 N ATOM 432 CA THR A 27 -0.229 -1.658 -27.591 1.00 14.44 C ATOM 433 C THR A 27 -1.239 -2.562 -26.893 1.00 63.42 C ATOM 434 O THR A 27 -1.089 -3.785 -26.882 1.00 12.22 O ATOM 435 CB THR A 27 -0.799 -1.228 -28.956 1.00 14.04 C ATOM 436 OG1 THR A 27 -2.167 -0.830 -28.812 1.00 13.42 O ATOM 437 CG2 THR A 27 -0.700 -2.362 -29.965 1.00 5.22 C ATOM 0 H THR A 27 1.006 -3.341 -27.778 1.00 51.21 H new ATOM 0 HA THR A 27 -0.058 -0.771 -26.981 1.00 14.44 H new ATOM 0 HB THR A 27 -0.212 -0.385 -29.321 1.00 14.04 H new ATOM 0 HG1 THR A 27 -2.522 -0.556 -29.684 1.00 13.42 H new ATOM 0 HG21 THR A 27 -1.109 -2.035 -30.921 1.00 5.22 H new ATOM 0 HG22 THR A 27 0.345 -2.644 -30.094 1.00 5.22 H new ATOM 0 HG23 THR A 27 -1.265 -3.221 -29.604 1.00 5.22 H new ATOM 445 N THR A 28 -2.269 -1.955 -26.312 1.00 24.11 N ATOM 446 CA THR A 28 -3.303 -2.706 -25.612 1.00 21.03 C ATOM 447 C THR A 28 -4.180 -3.477 -26.591 1.00 34.31 C ATOM 448 O THR A 28 -4.974 -4.329 -26.190 1.00 21.10 O ATOM 449 CB THR A 28 -4.193 -1.779 -24.763 1.00 10.23 C ATOM 450 OG1 THR A 28 -5.301 -2.515 -24.232 1.00 3.43 O ATOM 451 CG2 THR A 28 -4.704 -0.611 -25.593 1.00 35.04 C ATOM 0 H THR A 28 -2.409 -0.945 -26.313 1.00 24.11 H new ATOM 0 HA THR A 28 -2.792 -3.409 -24.954 1.00 21.03 H new ATOM 0 HB THR A 28 -3.592 -1.386 -23.943 1.00 10.23 H new ATOM 0 HG1 THR A 28 -5.385 -3.368 -24.708 1.00 3.43 H new ATOM 0 HG21 THR A 28 -5.330 0.030 -24.972 1.00 35.04 H new ATOM 0 HG22 THR A 28 -3.859 -0.036 -25.971 1.00 35.04 H new ATOM 0 HG23 THR A 28 -5.290 -0.989 -26.431 1.00 35.04 H new ATOM 459 N ASP A 29 -4.032 -3.174 -27.876 1.00 35.33 N ATOM 460 CA ASP A 29 -4.811 -3.841 -28.913 1.00 61.11 C ATOM 461 C ASP A 29 -3.902 -4.622 -29.857 1.00 31.42 C ATOM 462 O ASP A 29 -4.269 -4.903 -30.998 1.00 34.14 O ATOM 463 CB ASP A 29 -5.629 -2.819 -29.703 1.00 50.53 C ATOM 464 CG ASP A 29 -6.798 -2.272 -28.907 1.00 23.21 C ATOM 465 OD1 ASP A 29 -7.855 -2.936 -28.874 1.00 24.33 O ATOM 466 OD2 ASP A 29 -6.656 -1.180 -28.318 1.00 22.15 O ATOM 0 H ASP A 29 -3.380 -2.471 -28.224 1.00 35.33 H new ATOM 0 HA ASP A 29 -5.490 -4.542 -28.428 1.00 61.11 H new ATOM 0 HB2 ASP A 29 -4.982 -1.995 -30.005 1.00 50.53 H new ATOM 0 HB3 ASP A 29 -6.001 -3.284 -30.616 1.00 50.53 H new ATOM 471 N SER A 30 -2.714 -4.970 -29.373 1.00 43.22 N ATOM 472 CA SER A 30 -1.750 -5.714 -30.175 1.00 70.51 C ATOM 473 C SER A 30 -2.354 -7.024 -30.673 1.00 54.34 C ATOM 474 O SER A 30 -2.915 -7.797 -29.896 1.00 42.23 O ATOM 475 CB SER A 30 -0.488 -6.000 -29.359 1.00 20.21 C ATOM 476 OG SER A 30 -0.795 -6.159 -27.984 1.00 44.35 O ATOM 0 H SER A 30 -2.396 -4.749 -28.429 1.00 43.22 H new ATOM 0 HA SER A 30 -1.485 -5.104 -31.039 1.00 70.51 H new ATOM 0 HB2 SER A 30 -0.005 -6.903 -29.734 1.00 20.21 H new ATOM 0 HB3 SER A 30 0.223 -5.183 -29.484 1.00 20.21 H new ATOM 0 HG SER A 30 -0.639 -5.313 -27.514 1.00 44.35 H new ATOM 482 N ARG A 31 -2.236 -7.265 -31.975 1.00 31.10 N ATOM 483 CA ARG A 31 -2.771 -8.480 -32.579 1.00 13.55 C ATOM 484 C ARG A 31 -1.665 -9.284 -33.254 1.00 42.04 C ATOM 485 O ARG A 31 -1.811 -9.724 -34.395 1.00 30.31 O ATOM 486 CB ARG A 31 -3.859 -8.132 -33.597 1.00 3.11 C ATOM 487 CG ARG A 31 -5.155 -7.653 -32.964 1.00 72.42 C ATOM 488 CD ARG A 31 -6.064 -8.819 -32.607 1.00 20.13 C ATOM 489 NE ARG A 31 -6.921 -9.208 -33.724 1.00 3.32 N ATOM 490 CZ ARG A 31 -7.559 -10.371 -33.791 1.00 2.14 C ATOM 491 NH1 ARG A 31 -7.438 -11.255 -32.810 1.00 4.55 N ATOM 492 NH2 ARG A 31 -8.320 -10.652 -34.840 1.00 55.11 N ATOM 0 H ARG A 31 -1.775 -6.635 -32.632 1.00 31.10 H new ATOM 0 HA ARG A 31 -3.206 -9.089 -31.787 1.00 13.55 H new ATOM 0 HB2 ARG A 31 -3.484 -7.358 -34.267 1.00 3.11 H new ATOM 0 HB3 ARG A 31 -4.066 -9.010 -34.209 1.00 3.11 H new ATOM 0 HG2 ARG A 31 -4.932 -7.076 -32.067 1.00 72.42 H new ATOM 0 HG3 ARG A 31 -5.672 -6.984 -33.652 1.00 72.42 H new ATOM 0 HD2 ARG A 31 -5.457 -9.671 -32.302 1.00 20.13 H new ATOM 0 HD3 ARG A 31 -6.684 -8.547 -31.753 1.00 20.13 H new ATOM 0 HE ARG A 31 -7.036 -8.550 -34.495 1.00 3.32 H new ATOM 0 HH11 ARG A 31 -6.854 -11.043 -32.001 1.00 4.55 H new ATOM 0 HH12 ARG A 31 -7.929 -12.147 -32.864 1.00 4.55 H new ATOM 0 HH21 ARG A 31 -8.416 -9.975 -35.597 1.00 55.11 H new ATOM 0 HH22 ARG A 31 -8.809 -11.545 -34.890 1.00 55.11 H new ATOM 506 N PHE A 32 -0.558 -9.471 -32.543 1.00 61.44 N ATOM 507 CA PHE A 32 0.574 -10.221 -33.075 1.00 22.43 C ATOM 508 C PHE A 32 0.119 -11.561 -33.647 1.00 0.32 C ATOM 509 O PHE A 32 0.690 -12.059 -34.617 1.00 62.40 O ATOM 510 CB PHE A 32 1.620 -10.450 -31.981 1.00 40.04 C ATOM 511 CG PHE A 32 1.026 -10.811 -30.650 1.00 22.21 C ATOM 512 CD1 PHE A 32 0.584 -12.101 -30.400 1.00 44.45 C ATOM 513 CD2 PHE A 32 0.910 -9.862 -29.648 1.00 1.43 C ATOM 514 CE1 PHE A 32 0.037 -12.435 -29.176 1.00 71.34 C ATOM 515 CE2 PHE A 32 0.364 -10.191 -28.421 1.00 52.44 C ATOM 516 CZ PHE A 32 -0.072 -11.480 -28.185 1.00 54.52 C ATOM 0 H PHE A 32 -0.421 -9.114 -31.598 1.00 61.44 H new ATOM 0 HA PHE A 32 1.020 -9.635 -33.879 1.00 22.43 H new ATOM 0 HB2 PHE A 32 2.296 -11.245 -32.296 1.00 40.04 H new ATOM 0 HB3 PHE A 32 2.221 -9.547 -31.869 1.00 40.04 H new ATOM 0 HD1 PHE A 32 0.668 -12.853 -31.170 1.00 44.45 H new ATOM 0 HD2 PHE A 32 1.250 -8.853 -29.827 1.00 1.43 H new ATOM 0 HE1 PHE A 32 -0.305 -13.443 -28.994 1.00 71.34 H new ATOM 0 HE2 PHE A 32 0.279 -9.441 -27.648 1.00 52.44 H new ATOM 0 HZ PHE A 32 -0.497 -11.740 -27.227 1.00 54.52 H new ATOM 526 N ILE A 33 -0.912 -12.137 -33.039 1.00 21.45 N ATOM 527 CA ILE A 33 -1.444 -13.418 -33.487 1.00 72.01 C ATOM 528 C ILE A 33 -1.840 -13.364 -34.959 1.00 12.33 C ATOM 529 O ILE A 33 -1.549 -14.282 -35.724 1.00 22.22 O ATOM 530 CB ILE A 33 -2.668 -13.842 -32.653 1.00 65.42 C ATOM 531 CG1 ILE A 33 -3.252 -15.149 -33.194 1.00 21.14 C ATOM 532 CG2 ILE A 33 -3.719 -12.743 -32.659 1.00 34.24 C ATOM 533 CD1 ILE A 33 -2.260 -16.291 -33.215 1.00 34.31 C ATOM 0 H ILE A 33 -1.396 -11.737 -32.235 1.00 21.45 H new ATOM 0 HA ILE A 33 -0.651 -14.154 -33.353 1.00 72.01 H new ATOM 0 HB ILE A 33 -2.349 -14.007 -31.624 1.00 65.42 H new ATOM 0 HG12 ILE A 33 -4.109 -15.434 -32.584 1.00 21.14 H new ATOM 0 HG13 ILE A 33 -3.622 -14.981 -34.205 1.00 21.14 H new ATOM 0 HG21 ILE A 33 -4.578 -13.057 -32.066 1.00 34.24 H new ATOM 0 HG22 ILE A 33 -3.297 -11.833 -32.232 1.00 34.24 H new ATOM 0 HG23 ILE A 33 -4.037 -12.549 -33.683 1.00 34.24 H new ATOM 0 HD11 ILE A 33 -2.743 -17.185 -33.610 1.00 34.31 H new ATOM 0 HD12 ILE A 33 -1.413 -16.026 -33.848 1.00 34.31 H new ATOM 0 HD13 ILE A 33 -1.908 -16.486 -32.202 1.00 34.31 H new ATOM 545 N GLU A 34 -2.505 -12.280 -35.348 1.00 5.25 N ATOM 546 CA GLU A 34 -2.939 -12.106 -36.728 1.00 54.44 C ATOM 547 C GLU A 34 -1.881 -11.367 -37.543 1.00 72.20 C ATOM 548 O GLU A 34 -1.403 -11.870 -38.560 1.00 4.02 O ATOM 549 CB GLU A 34 -4.263 -11.339 -36.777 1.00 22.21 C ATOM 550 CG GLU A 34 -4.936 -11.373 -38.138 1.00 74.45 C ATOM 551 CD GLU A 34 -5.749 -12.635 -38.356 1.00 12.03 C ATOM 552 OE1 GLU A 34 -6.640 -12.916 -37.527 1.00 12.12 O ATOM 553 OE2 GLU A 34 -5.494 -13.341 -39.353 1.00 75.14 O ATOM 0 H GLU A 34 -2.754 -11.510 -34.727 1.00 5.25 H new ATOM 0 HA GLU A 34 -3.083 -13.095 -37.163 1.00 54.44 H new ATOM 0 HB2 GLU A 34 -4.943 -11.757 -36.034 1.00 22.21 H new ATOM 0 HB3 GLU A 34 -4.083 -10.301 -36.496 1.00 22.21 H new ATOM 0 HG2 GLU A 34 -5.587 -10.504 -38.239 1.00 74.45 H new ATOM 0 HG3 GLU A 34 -4.177 -11.295 -38.916 1.00 74.45 H new ATOM 560 N ASP A 35 -1.522 -10.172 -37.089 1.00 44.31 N ATOM 561 CA ASP A 35 -0.520 -9.363 -37.774 1.00 61.14 C ATOM 562 C ASP A 35 0.765 -10.156 -37.988 1.00 64.41 C ATOM 563 O ASP A 35 1.245 -10.291 -39.115 1.00 12.52 O ATOM 564 CB ASP A 35 -0.224 -8.094 -36.974 1.00 45.12 C ATOM 565 CG ASP A 35 0.289 -6.965 -37.847 1.00 72.43 C ATOM 566 OD1 ASP A 35 -0.086 -6.920 -39.037 1.00 52.54 O ATOM 567 OD2 ASP A 35 1.065 -6.128 -37.341 1.00 24.52 O ATOM 0 H ASP A 35 -1.910 -9.741 -36.249 1.00 44.31 H new ATOM 0 HA ASP A 35 -0.919 -9.083 -38.749 1.00 61.14 H new ATOM 0 HB2 ASP A 35 -1.131 -7.771 -36.463 1.00 45.12 H new ATOM 0 HB3 ASP A 35 0.514 -8.318 -36.204 1.00 45.12 H new ATOM 572 N LEU A 36 1.319 -10.679 -36.900 1.00 25.51 N ATOM 573 CA LEU A 36 2.551 -11.459 -36.968 1.00 34.15 C ATOM 574 C LEU A 36 2.257 -12.909 -37.340 1.00 3.03 C ATOM 575 O LEU A 36 3.171 -13.720 -37.491 1.00 3.13 O ATOM 576 CB LEU A 36 3.287 -11.403 -35.628 1.00 30.51 C ATOM 577 CG LEU A 36 4.712 -10.850 -35.668 1.00 14.54 C ATOM 578 CD1 LEU A 36 4.750 -9.434 -35.112 1.00 32.54 C ATOM 579 CD2 LEU A 36 5.658 -11.755 -34.892 1.00 53.23 C ATOM 0 H LEU A 36 0.935 -10.578 -35.960 1.00 25.51 H new ATOM 0 HA LEU A 36 3.185 -11.026 -37.742 1.00 34.15 H new ATOM 0 HB2 LEU A 36 2.701 -10.794 -34.940 1.00 30.51 H new ATOM 0 HB3 LEU A 36 3.321 -12.410 -35.212 1.00 30.51 H new ATOM 0 HG LEU A 36 5.041 -10.820 -36.707 1.00 14.54 H new ATOM 0 HD11 LEU A 36 5.772 -9.056 -35.148 1.00 32.54 H new ATOM 0 HD12 LEU A 36 4.104 -8.791 -35.710 1.00 32.54 H new ATOM 0 HD13 LEU A 36 4.401 -9.439 -34.079 1.00 32.54 H new ATOM 0 HD21 LEU A 36 6.667 -11.346 -34.932 1.00 53.23 H new ATOM 0 HD22 LEU A 36 5.332 -11.817 -33.854 1.00 53.23 H new ATOM 0 HD23 LEU A 36 5.653 -12.751 -35.334 1.00 53.23 H new ATOM 591 N LYS A 37 0.976 -13.229 -37.488 1.00 42.43 N ATOM 592 CA LYS A 37 0.561 -14.580 -37.847 1.00 13.54 C ATOM 593 C LYS A 37 1.207 -15.610 -36.926 1.00 1.31 C ATOM 594 O LYS A 37 1.802 -16.582 -37.389 1.00 23.45 O ATOM 595 CB LYS A 37 0.928 -14.879 -39.302 1.00 34.02 C ATOM 596 CG LYS A 37 -0.100 -15.732 -40.025 1.00 52.00 C ATOM 597 CD LYS A 37 -0.115 -17.156 -39.495 1.00 74.02 C ATOM 598 CE LYS A 37 1.139 -17.915 -39.901 1.00 12.02 C ATOM 599 NZ LYS A 37 1.248 -18.057 -41.379 1.00 55.22 N ATOM 0 H LYS A 37 0.207 -12.571 -37.365 1.00 42.43 H new ATOM 0 HA LYS A 37 -0.521 -14.644 -37.732 1.00 13.54 H new ATOM 0 HB2 LYS A 37 1.049 -13.938 -39.838 1.00 34.02 H new ATOM 0 HB3 LYS A 37 1.892 -15.387 -39.328 1.00 34.02 H new ATOM 0 HG2 LYS A 37 -1.089 -15.289 -39.908 1.00 52.00 H new ATOM 0 HG3 LYS A 37 0.120 -15.742 -41.092 1.00 52.00 H new ATOM 0 HD2 LYS A 37 -0.196 -17.140 -38.408 1.00 74.02 H new ATOM 0 HD3 LYS A 37 -0.995 -17.677 -39.873 1.00 74.02 H new ATOM 0 HE2 LYS A 37 2.018 -17.394 -39.521 1.00 12.02 H new ATOM 0 HE3 LYS A 37 1.130 -18.903 -39.441 1.00 12.02 H new ATOM 0 HZ1 LYS A 37 1.908 -18.828 -41.606 1.00 55.22 H new ATOM 0 HZ2 LYS A 37 0.312 -18.274 -41.777 1.00 55.22 H new ATOM 0 HZ3 LYS A 37 1.600 -17.168 -41.788 1.00 55.22 H new ATOM 613 N ALA A 38 1.085 -15.390 -35.621 1.00 14.20 N ATOM 614 CA ALA A 38 1.654 -16.301 -34.636 1.00 71.10 C ATOM 615 C ALA A 38 1.026 -17.687 -34.743 1.00 10.45 C ATOM 616 O ALA A 38 -0.140 -17.878 -34.397 1.00 30.40 O ATOM 617 CB ALA A 38 1.470 -15.743 -33.233 1.00 5.15 C ATOM 0 H ALA A 38 0.597 -14.588 -35.222 1.00 14.20 H new ATOM 0 HA ALA A 38 2.720 -16.397 -34.840 1.00 71.10 H new ATOM 0 HB1 ALA A 38 1.900 -16.434 -32.507 1.00 5.15 H new ATOM 0 HB2 ALA A 38 1.971 -14.778 -33.157 1.00 5.15 H new ATOM 0 HB3 ALA A 38 0.407 -15.617 -33.028 1.00 5.15 H new ATOM 623 N ASP A 39 1.806 -18.649 -35.223 1.00 54.22 N ATOM 624 CA ASP A 39 1.326 -20.018 -35.375 1.00 14.50 C ATOM 625 C ASP A 39 1.030 -20.644 -34.016 1.00 0.44 C ATOM 626 O ASP A 39 1.521 -20.179 -32.987 1.00 44.11 O ATOM 627 CB ASP A 39 2.356 -20.862 -36.126 1.00 4.21 C ATOM 628 CG ASP A 39 2.828 -20.198 -37.405 1.00 11.44 C ATOM 629 OD1 ASP A 39 3.516 -19.159 -37.315 1.00 65.32 O ATOM 630 OD2 ASP A 39 2.509 -20.716 -38.495 1.00 22.54 O ATOM 0 H ASP A 39 2.773 -18.507 -35.514 1.00 54.22 H new ATOM 0 HA ASP A 39 0.401 -19.991 -35.951 1.00 14.50 H new ATOM 0 HB2 ASP A 39 3.213 -21.046 -35.478 1.00 4.21 H new ATOM 0 HB3 ASP A 39 1.922 -21.833 -36.363 1.00 4.21 H new ATOM 635 N SER A 40 0.223 -21.700 -34.019 1.00 43.01 N ATOM 636 CA SER A 40 -0.142 -22.387 -32.786 1.00 1.12 C ATOM 637 C SER A 40 1.077 -23.051 -32.153 1.00 32.24 C ATOM 638 O SER A 40 1.407 -22.794 -30.994 1.00 42.22 O ATOM 639 CB SER A 40 -1.222 -23.435 -33.061 1.00 53.54 C ATOM 640 OG SER A 40 -1.535 -24.165 -31.888 1.00 73.22 O ATOM 0 H SER A 40 -0.191 -22.098 -34.862 1.00 43.01 H new ATOM 0 HA SER A 40 -0.534 -21.646 -32.089 1.00 1.12 H new ATOM 0 HB2 SER A 40 -2.120 -22.946 -33.439 1.00 53.54 H new ATOM 0 HB3 SER A 40 -0.880 -24.119 -33.838 1.00 53.54 H new ATOM 0 HG SER A 40 -2.229 -24.827 -32.090 1.00 73.22 H new ATOM 646 N LEU A 41 1.742 -23.907 -32.921 1.00 34.45 N ATOM 647 CA LEU A 41 2.925 -24.610 -32.436 1.00 72.13 C ATOM 648 C LEU A 41 3.995 -23.624 -31.979 1.00 12.11 C ATOM 649 O LEU A 41 4.811 -23.936 -31.112 1.00 64.42 O ATOM 650 CB LEU A 41 3.487 -25.518 -33.532 1.00 32.14 C ATOM 651 CG LEU A 41 4.276 -24.822 -34.641 1.00 72.11 C ATOM 652 CD1 LEU A 41 5.025 -25.842 -35.484 1.00 73.52 C ATOM 653 CD2 LEU A 41 3.349 -23.986 -35.511 1.00 74.12 C ATOM 0 H LEU A 41 1.482 -24.131 -33.882 1.00 34.45 H new ATOM 0 HA LEU A 41 2.631 -25.220 -31.582 1.00 72.13 H new ATOM 0 HB2 LEU A 41 4.134 -26.261 -33.065 1.00 32.14 H new ATOM 0 HB3 LEU A 41 2.658 -26.059 -33.988 1.00 32.14 H new ATOM 0 HG LEU A 41 5.006 -24.157 -34.179 1.00 72.11 H new ATOM 0 HD11 LEU A 41 5.581 -25.328 -36.268 1.00 73.52 H new ATOM 0 HD12 LEU A 41 5.718 -26.397 -34.852 1.00 73.52 H new ATOM 0 HD13 LEU A 41 4.314 -26.533 -35.937 1.00 73.52 H new ATOM 0 HD21 LEU A 41 3.928 -23.498 -36.295 1.00 74.12 H new ATOM 0 HD22 LEU A 41 2.596 -24.631 -35.964 1.00 74.12 H new ATOM 0 HD23 LEU A 41 2.858 -23.230 -34.898 1.00 74.12 H new ATOM 665 N ASP A 42 3.983 -22.432 -32.565 1.00 72.04 N ATOM 666 CA ASP A 42 4.950 -21.398 -32.216 1.00 20.11 C ATOM 667 C ASP A 42 4.541 -20.683 -30.932 1.00 51.22 C ATOM 668 O ASP A 42 5.351 -20.506 -30.021 1.00 53.14 O ATOM 669 CB ASP A 42 5.084 -20.388 -33.357 1.00 33.22 C ATOM 670 CG ASP A 42 5.613 -21.019 -34.630 1.00 33.33 C ATOM 671 OD1 ASP A 42 6.126 -22.155 -34.559 1.00 63.21 O ATOM 672 OD2 ASP A 42 5.514 -20.377 -35.696 1.00 51.03 O ATOM 0 H ASP A 42 3.314 -22.158 -33.284 1.00 72.04 H new ATOM 0 HA ASP A 42 5.915 -21.878 -32.052 1.00 20.11 H new ATOM 0 HB2 ASP A 42 4.112 -19.937 -33.555 1.00 33.22 H new ATOM 0 HB3 ASP A 42 5.752 -19.583 -33.049 1.00 33.22 H new ATOM 677 N THR A 43 3.278 -20.272 -30.866 1.00 42.22 N ATOM 678 CA THR A 43 2.762 -19.574 -29.696 1.00 12.32 C ATOM 679 C THR A 43 2.958 -20.402 -28.431 1.00 15.20 C ATOM 680 O THR A 43 3.037 -19.860 -27.328 1.00 74.22 O ATOM 681 CB THR A 43 1.265 -19.244 -29.853 1.00 44.33 C ATOM 682 OG1 THR A 43 0.599 -20.307 -30.544 1.00 45.41 O ATOM 683 CG2 THR A 43 1.076 -17.940 -30.614 1.00 71.33 C ATOM 0 H THR A 43 2.594 -20.411 -31.610 1.00 42.22 H new ATOM 0 HA THR A 43 3.324 -18.644 -29.609 1.00 12.32 H new ATOM 0 HB THR A 43 0.833 -19.132 -28.858 1.00 44.33 H new ATOM 0 HG1 THR A 43 1.050 -21.155 -30.352 1.00 45.41 H new ATOM 0 HG21 THR A 43 0.012 -17.727 -30.713 1.00 71.33 H new ATOM 0 HG22 THR A 43 1.559 -17.128 -30.070 1.00 71.33 H new ATOM 0 HG23 THR A 43 1.522 -18.029 -31.605 1.00 71.33 H new ATOM 691 N VAL A 44 3.036 -21.718 -28.597 1.00 72.33 N ATOM 692 CA VAL A 44 3.224 -22.622 -27.468 1.00 43.44 C ATOM 693 C VAL A 44 4.525 -22.318 -26.733 1.00 14.23 C ATOM 694 O VAL A 44 4.543 -22.201 -25.508 1.00 20.20 O ATOM 695 CB VAL A 44 3.236 -24.093 -27.923 1.00 63.21 C ATOM 696 CG1 VAL A 44 3.434 -25.019 -26.732 1.00 42.42 C ATOM 697 CG2 VAL A 44 1.952 -24.432 -28.664 1.00 52.22 C ATOM 0 H VAL A 44 2.972 -22.183 -29.503 1.00 72.33 H new ATOM 0 HA VAL A 44 2.383 -22.466 -26.793 1.00 43.44 H new ATOM 0 HB VAL A 44 4.072 -24.236 -28.607 1.00 63.21 H new ATOM 0 HG11 VAL A 44 3.440 -26.054 -27.073 1.00 42.42 H new ATOM 0 HG12 VAL A 44 4.384 -24.791 -26.248 1.00 42.42 H new ATOM 0 HG13 VAL A 44 2.621 -24.876 -26.021 1.00 42.42 H new ATOM 0 HG21 VAL A 44 1.978 -25.475 -28.978 1.00 52.22 H new ATOM 0 HG22 VAL A 44 1.099 -24.273 -28.005 1.00 52.22 H new ATOM 0 HG23 VAL A 44 1.858 -23.791 -29.541 1.00 52.22 H new ATOM 707 N GLU A 45 5.610 -22.190 -27.489 1.00 64.42 N ATOM 708 CA GLU A 45 6.916 -21.900 -26.908 1.00 32.21 C ATOM 709 C GLU A 45 7.081 -20.403 -26.662 1.00 21.35 C ATOM 710 O GLU A 45 7.720 -19.989 -25.693 1.00 50.45 O ATOM 711 CB GLU A 45 8.031 -22.403 -27.827 1.00 22.24 C ATOM 712 CG GLU A 45 9.419 -21.953 -27.402 1.00 31.20 C ATOM 713 CD GLU A 45 10.514 -22.857 -27.934 1.00 72.15 C ATOM 714 OE1 GLU A 45 10.202 -23.754 -28.745 1.00 54.34 O ATOM 715 OE2 GLU A 45 11.683 -22.667 -27.540 1.00 24.13 O ATOM 0 H GLU A 45 5.611 -22.282 -28.505 1.00 64.42 H new ATOM 0 HA GLU A 45 6.983 -22.418 -25.951 1.00 32.21 H new ATOM 0 HB2 GLU A 45 8.004 -23.492 -27.855 1.00 22.24 H new ATOM 0 HB3 GLU A 45 7.840 -22.054 -28.842 1.00 22.24 H new ATOM 0 HG2 GLU A 45 9.590 -20.936 -27.753 1.00 31.20 H new ATOM 0 HG3 GLU A 45 9.471 -21.927 -26.314 1.00 31.20 H new ATOM 722 N LEU A 46 6.502 -19.597 -27.544 1.00 74.12 N ATOM 723 CA LEU A 46 6.584 -18.146 -27.424 1.00 42.42 C ATOM 724 C LEU A 46 5.881 -17.663 -26.160 1.00 13.21 C ATOM 725 O LEU A 46 6.484 -16.999 -25.317 1.00 54.45 O ATOM 726 CB LEU A 46 5.966 -17.477 -28.653 1.00 13.51 C ATOM 727 CG LEU A 46 6.699 -17.696 -29.977 1.00 12.52 C ATOM 728 CD1 LEU A 46 5.859 -17.194 -31.141 1.00 42.42 C ATOM 729 CD2 LEU A 46 8.054 -17.004 -29.957 1.00 1.33 C ATOM 0 H LEU A 46 5.970 -19.924 -28.351 1.00 74.12 H new ATOM 0 HA LEU A 46 7.637 -17.871 -27.359 1.00 42.42 H new ATOM 0 HB2 LEU A 46 4.944 -17.838 -28.763 1.00 13.51 H new ATOM 0 HB3 LEU A 46 5.907 -16.405 -28.467 1.00 13.51 H new ATOM 0 HG LEU A 46 6.862 -18.766 -30.108 1.00 12.52 H new ATOM 0 HD11 LEU A 46 6.397 -17.358 -32.075 1.00 42.42 H new ATOM 0 HD12 LEU A 46 4.913 -17.735 -31.167 1.00 42.42 H new ATOM 0 HD13 LEU A 46 5.665 -16.129 -31.017 1.00 42.42 H new ATOM 0 HD21 LEU A 46 8.562 -17.170 -30.907 1.00 1.33 H new ATOM 0 HD22 LEU A 46 7.914 -15.934 -29.803 1.00 1.33 H new ATOM 0 HD23 LEU A 46 8.659 -17.411 -29.146 1.00 1.33 H new ATOM 741 N MET A 47 4.602 -18.003 -26.034 1.00 22.34 N ATOM 742 CA MET A 47 3.818 -17.607 -24.870 1.00 34.11 C ATOM 743 C MET A 47 4.376 -18.237 -23.598 1.00 33.42 C ATOM 744 O MET A 47 4.285 -17.658 -22.516 1.00 2.10 O ATOM 745 CB MET A 47 2.354 -18.012 -25.053 1.00 54.45 C ATOM 746 CG MET A 47 1.677 -17.326 -26.229 1.00 74.02 C ATOM 747 SD MET A 47 -0.115 -17.531 -26.216 1.00 23.35 S ATOM 748 CE MET A 47 -0.251 -19.317 -26.259 1.00 11.32 C ATOM 0 H MET A 47 4.087 -18.551 -26.723 1.00 22.34 H new ATOM 0 HA MET A 47 3.879 -16.523 -24.774 1.00 34.11 H new ATOM 0 HB2 MET A 47 2.299 -19.092 -25.192 1.00 54.45 H new ATOM 0 HB3 MET A 47 1.804 -17.779 -24.141 1.00 54.45 H new ATOM 0 HG2 MET A 47 1.917 -16.263 -26.212 1.00 74.02 H new ATOM 0 HG3 MET A 47 2.078 -17.728 -27.159 1.00 74.02 H new ATOM 0 HE1 MET A 47 -1.092 -19.603 -26.890 1.00 11.32 H new ATOM 0 HE2 MET A 47 0.667 -19.742 -26.664 1.00 11.32 H new ATOM 0 HE3 MET A 47 -0.411 -19.694 -25.249 1.00 11.32 H new ATOM 758 N MET A 48 4.952 -19.427 -23.736 1.00 0.12 N ATOM 759 CA MET A 48 5.525 -20.135 -22.597 1.00 3.42 C ATOM 760 C MET A 48 6.493 -19.238 -21.831 1.00 31.13 C ATOM 761 O MET A 48 6.570 -19.298 -20.604 1.00 41.10 O ATOM 762 CB MET A 48 6.246 -21.400 -23.066 1.00 4.25 C ATOM 763 CG MET A 48 7.060 -22.076 -21.974 1.00 10.53 C ATOM 764 SD MET A 48 6.035 -22.694 -20.626 1.00 33.14 S ATOM 765 CE MET A 48 7.142 -22.484 -19.234 1.00 25.11 C ATOM 0 H MET A 48 5.034 -19.921 -24.625 1.00 0.12 H new ATOM 0 HA MET A 48 4.711 -20.416 -21.929 1.00 3.42 H new ATOM 0 HB2 MET A 48 5.510 -22.107 -23.449 1.00 4.25 H new ATOM 0 HB3 MET A 48 6.906 -21.146 -23.895 1.00 4.25 H new ATOM 0 HG2 MET A 48 7.623 -22.903 -22.406 1.00 10.53 H new ATOM 0 HG3 MET A 48 7.787 -21.368 -21.577 1.00 10.53 H new ATOM 0 HE1 MET A 48 6.789 -23.083 -18.395 1.00 25.11 H new ATOM 0 HE2 MET A 48 8.145 -22.807 -19.514 1.00 25.11 H new ATOM 0 HE3 MET A 48 7.167 -21.433 -18.944 1.00 25.11 H new ATOM 775 N ALA A 49 7.229 -18.408 -22.562 1.00 62.25 N ATOM 776 CA ALA A 49 8.190 -17.499 -21.951 1.00 42.52 C ATOM 777 C ALA A 49 7.525 -16.631 -20.888 1.00 23.12 C ATOM 778 O ALA A 49 8.164 -16.226 -19.916 1.00 33.12 O ATOM 779 CB ALA A 49 8.842 -16.627 -23.014 1.00 52.25 C ATOM 0 H ALA A 49 7.178 -18.346 -23.579 1.00 62.25 H new ATOM 0 HA ALA A 49 8.960 -18.098 -21.465 1.00 42.52 H new ATOM 0 HB1 ALA A 49 9.558 -15.953 -22.543 1.00 52.25 H new ATOM 0 HB2 ALA A 49 9.360 -17.259 -23.736 1.00 52.25 H new ATOM 0 HB3 ALA A 49 8.077 -16.044 -23.526 1.00 52.25 H new ATOM 785 N ILE A 50 6.241 -16.349 -21.079 1.00 60.20 N ATOM 786 CA ILE A 50 5.491 -15.530 -20.135 1.00 54.15 C ATOM 787 C ILE A 50 5.379 -16.217 -18.779 1.00 2.35 C ATOM 788 O ILE A 50 5.180 -15.562 -17.756 1.00 24.23 O ATOM 789 CB ILE A 50 4.076 -15.221 -20.659 1.00 52.35 C ATOM 790 CG1 ILE A 50 4.154 -14.475 -21.993 1.00 51.21 C ATOM 791 CG2 ILE A 50 3.298 -14.407 -19.636 1.00 70.00 C ATOM 792 CD1 ILE A 50 4.798 -13.111 -21.886 1.00 4.44 C ATOM 0 H ILE A 50 5.698 -16.675 -21.879 1.00 60.20 H new ATOM 0 HA ILE A 50 6.041 -14.596 -20.022 1.00 54.15 H new ATOM 0 HB ILE A 50 3.551 -16.163 -20.821 1.00 52.35 H new ATOM 0 HG12 ILE A 50 4.717 -15.079 -22.705 1.00 51.21 H new ATOM 0 HG13 ILE A 50 3.148 -14.362 -22.396 1.00 51.21 H new ATOM 0 HG21 ILE A 50 2.300 -14.197 -20.021 1.00 70.00 H new ATOM 0 HG22 ILE A 50 3.217 -14.972 -18.707 1.00 70.00 H new ATOM 0 HG23 ILE A 50 3.819 -13.468 -19.446 1.00 70.00 H new ATOM 0 HD11 ILE A 50 4.819 -12.641 -22.869 1.00 4.44 H new ATOM 0 HD12 ILE A 50 4.223 -12.490 -21.199 1.00 4.44 H new ATOM 0 HD13 ILE A 50 5.817 -13.218 -21.513 1.00 4.44 H new ATOM 804 N GLU A 51 5.511 -17.540 -18.778 1.00 55.43 N ATOM 805 CA GLU A 51 5.425 -18.315 -17.546 1.00 44.32 C ATOM 806 C GLU A 51 6.759 -18.307 -16.805 1.00 45.12 C ATOM 807 O GLU A 51 6.808 -18.096 -15.593 1.00 41.13 O ATOM 808 CB GLU A 51 5.007 -19.755 -17.851 1.00 44.32 C ATOM 809 CG GLU A 51 3.561 -19.887 -18.299 1.00 4.15 C ATOM 810 CD GLU A 51 3.190 -21.312 -18.658 1.00 31.52 C ATOM 811 OE1 GLU A 51 3.466 -22.221 -17.847 1.00 4.32 O ATOM 812 OE2 GLU A 51 2.622 -21.519 -19.751 1.00 21.41 O ATOM 0 H GLU A 51 5.678 -18.097 -19.616 1.00 55.43 H new ATOM 0 HA GLU A 51 4.671 -17.853 -16.908 1.00 44.32 H new ATOM 0 HB2 GLU A 51 5.657 -20.156 -18.628 1.00 44.32 H new ATOM 0 HB3 GLU A 51 5.160 -20.365 -16.961 1.00 44.32 H new ATOM 0 HG2 GLU A 51 2.904 -19.534 -17.504 1.00 4.15 H new ATOM 0 HG3 GLU A 51 3.392 -19.243 -19.162 1.00 4.15 H new ATOM 819 N VAL A 52 7.841 -18.539 -17.543 1.00 33.12 N ATOM 820 CA VAL A 52 9.176 -18.558 -16.957 1.00 71.53 C ATOM 821 C VAL A 52 9.672 -17.145 -16.673 1.00 32.22 C ATOM 822 O VAL A 52 10.599 -16.949 -15.888 1.00 41.02 O ATOM 823 CB VAL A 52 10.184 -19.268 -17.881 1.00 34.21 C ATOM 824 CG1 VAL A 52 9.890 -20.759 -17.946 1.00 61.30 C ATOM 825 CG2 VAL A 52 10.158 -18.650 -19.271 1.00 24.42 C ATOM 0 H VAL A 52 7.819 -18.716 -18.547 1.00 33.12 H new ATOM 0 HA VAL A 52 9.102 -19.109 -16.019 1.00 71.53 H new ATOM 0 HB VAL A 52 11.184 -19.137 -17.468 1.00 34.21 H new ATOM 0 HG11 VAL A 52 10.612 -21.244 -18.603 1.00 61.30 H new ATOM 0 HG12 VAL A 52 9.963 -21.188 -16.947 1.00 61.30 H new ATOM 0 HG13 VAL A 52 8.884 -20.915 -18.335 1.00 61.30 H new ATOM 0 HG21 VAL A 52 10.876 -19.163 -19.911 1.00 24.42 H new ATOM 0 HG22 VAL A 52 9.159 -18.749 -19.695 1.00 24.42 H new ATOM 0 HG23 VAL A 52 10.421 -17.594 -19.205 1.00 24.42 H new ATOM 835 N GLU A 53 9.047 -16.164 -17.316 1.00 51.11 N ATOM 836 CA GLU A 53 9.426 -14.768 -17.132 1.00 12.11 C ATOM 837 C GLU A 53 8.801 -14.197 -15.862 1.00 74.51 C ATOM 838 O GLU A 53 9.499 -13.673 -14.995 1.00 24.04 O ATOM 839 CB GLU A 53 8.997 -13.936 -18.343 1.00 25.04 C ATOM 840 CG GLU A 53 9.975 -14.003 -19.504 1.00 3.23 C ATOM 841 CD GLU A 53 10.953 -12.844 -19.511 1.00 13.54 C ATOM 842 OE1 GLU A 53 10.535 -11.714 -19.180 1.00 32.03 O ATOM 843 OE2 GLU A 53 12.135 -13.065 -19.847 1.00 34.21 O ATOM 0 H GLU A 53 8.277 -16.310 -17.968 1.00 51.11 H new ATOM 0 HA GLU A 53 10.511 -14.723 -17.035 1.00 12.11 H new ATOM 0 HB2 GLU A 53 8.020 -14.280 -18.682 1.00 25.04 H new ATOM 0 HB3 GLU A 53 8.881 -12.897 -18.036 1.00 25.04 H new ATOM 0 HG2 GLU A 53 10.529 -14.940 -19.454 1.00 3.23 H new ATOM 0 HG3 GLU A 53 9.420 -14.011 -20.442 1.00 3.23 H new ATOM 850 N TYR A 54 7.480 -14.303 -15.761 1.00 24.30 N ATOM 851 CA TYR A 54 6.760 -13.796 -14.600 1.00 13.25 C ATOM 852 C TYR A 54 6.833 -14.783 -13.439 1.00 33.22 C ATOM 853 O TYR A 54 6.716 -14.401 -12.275 1.00 42.03 O ATOM 854 CB TYR A 54 5.299 -13.522 -14.959 1.00 55.25 C ATOM 855 CG TYR A 54 5.061 -12.136 -15.515 1.00 4.54 C ATOM 856 CD1 TYR A 54 5.504 -11.008 -14.834 1.00 22.25 C ATOM 857 CD2 TYR A 54 4.394 -11.953 -16.719 1.00 52.23 C ATOM 858 CE1 TYR A 54 5.289 -9.740 -15.336 1.00 42.53 C ATOM 859 CE2 TYR A 54 4.176 -10.688 -17.230 1.00 72.14 C ATOM 860 CZ TYR A 54 4.625 -9.585 -16.535 1.00 41.33 C ATOM 861 OH TYR A 54 4.409 -8.323 -17.040 1.00 75.13 O ATOM 0 H TYR A 54 6.887 -14.735 -16.469 1.00 24.30 H new ATOM 0 HA TYR A 54 7.233 -12.864 -14.291 1.00 13.25 H new ATOM 0 HB2 TYR A 54 4.969 -14.259 -15.691 1.00 55.25 H new ATOM 0 HB3 TYR A 54 4.684 -13.658 -14.070 1.00 55.25 H new ATOM 0 HD1 TYR A 54 6.026 -11.126 -13.896 1.00 22.25 H new ATOM 0 HD2 TYR A 54 4.039 -12.814 -17.265 1.00 52.23 H new ATOM 0 HE1 TYR A 54 5.639 -8.874 -14.793 1.00 42.53 H new ATOM 0 HE2 TYR A 54 3.657 -10.564 -18.169 1.00 72.14 H new ATOM 0 HH TYR A 54 3.929 -8.389 -17.892 1.00 75.13 H new ATOM 871 N GLY A 55 7.027 -16.057 -13.766 1.00 23.45 N ATOM 872 CA GLY A 55 7.113 -17.081 -12.741 1.00 23.24 C ATOM 873 C GLY A 55 5.758 -17.659 -12.383 1.00 63.12 C ATOM 874 O GLY A 55 5.552 -18.126 -11.263 1.00 34.52 O ATOM 0 H GLY A 55 7.126 -16.398 -14.722 1.00 23.45 H new ATOM 0 HA2 GLY A 55 7.766 -17.882 -13.086 1.00 23.24 H new ATOM 0 HA3 GLY A 55 7.572 -16.658 -11.847 1.00 23.24 H new ATOM 878 N ILE A 56 4.833 -17.626 -13.336 1.00 32.01 N ATOM 879 CA ILE A 56 3.491 -18.150 -13.115 1.00 72.11 C ATOM 880 C ILE A 56 3.122 -19.183 -14.175 1.00 44.52 C ATOM 881 O ILE A 56 3.925 -19.500 -15.053 1.00 4.31 O ATOM 882 CB ILE A 56 2.439 -17.025 -13.123 1.00 32.33 C ATOM 883 CG1 ILE A 56 2.617 -16.139 -14.358 1.00 34.45 C ATOM 884 CG2 ILE A 56 2.540 -16.197 -11.851 1.00 0.23 C ATOM 885 CD1 ILE A 56 1.497 -15.141 -14.551 1.00 72.02 C ATOM 0 H ILE A 56 4.988 -17.242 -14.268 1.00 32.01 H new ATOM 0 HA ILE A 56 3.496 -18.625 -12.134 1.00 72.11 H new ATOM 0 HB ILE A 56 1.447 -17.475 -13.162 1.00 32.33 H new ATOM 0 HG12 ILE A 56 3.562 -15.602 -14.277 1.00 34.45 H new ATOM 0 HG13 ILE A 56 2.685 -16.772 -15.243 1.00 34.45 H new ATOM 0 HG21 ILE A 56 1.790 -15.406 -11.871 1.00 0.23 H new ATOM 0 HG22 ILE A 56 2.369 -16.837 -10.986 1.00 0.23 H new ATOM 0 HG23 ILE A 56 3.533 -15.754 -11.783 1.00 0.23 H new ATOM 0 HD11 ILE A 56 1.689 -14.547 -15.445 1.00 72.02 H new ATOM 0 HD12 ILE A 56 0.552 -15.672 -14.664 1.00 72.02 H new ATOM 0 HD13 ILE A 56 1.442 -14.484 -13.683 1.00 72.02 H new ATOM 897 N ASP A 57 1.903 -19.702 -14.088 1.00 71.04 N ATOM 898 CA ASP A 57 1.426 -20.697 -15.042 1.00 41.01 C ATOM 899 C ASP A 57 0.198 -20.188 -15.790 1.00 35.13 C ATOM 900 O ASP A 57 -0.703 -19.597 -15.193 1.00 72.03 O ATOM 901 CB ASP A 57 1.095 -22.006 -14.323 1.00 42.14 C ATOM 902 CG ASP A 57 2.317 -22.880 -14.121 1.00 70.44 C ATOM 903 OD1 ASP A 57 3.404 -22.327 -13.856 1.00 25.41 O ATOM 904 OD2 ASP A 57 2.186 -24.118 -14.230 1.00 11.22 O ATOM 0 H ASP A 57 1.227 -19.451 -13.367 1.00 71.04 H new ATOM 0 HA ASP A 57 2.220 -20.880 -15.766 1.00 41.01 H new ATOM 0 HB2 ASP A 57 0.648 -21.782 -13.355 1.00 42.14 H new ATOM 0 HB3 ASP A 57 0.350 -22.555 -14.899 1.00 42.14 H new ATOM 909 N ILE A 58 0.169 -20.421 -17.098 1.00 12.45 N ATOM 910 CA ILE A 58 -0.949 -19.986 -17.926 1.00 1.31 C ATOM 911 C ILE A 58 -1.263 -21.012 -19.009 1.00 24.20 C ATOM 912 O ILE A 58 -0.651 -21.031 -20.077 1.00 64.11 O ATOM 913 CB ILE A 58 -0.662 -18.626 -18.590 1.00 63.34 C ATOM 914 CG1 ILE A 58 -0.449 -17.548 -17.526 1.00 31.33 C ATOM 915 CG2 ILE A 58 -1.801 -18.241 -19.522 1.00 40.01 C ATOM 916 CD1 ILE A 58 1.003 -17.343 -17.155 1.00 41.34 C ATOM 0 H ILE A 58 0.907 -20.908 -17.607 1.00 12.45 H new ATOM 0 HA ILE A 58 -1.810 -19.884 -17.265 1.00 1.31 H new ATOM 0 HB ILE A 58 0.251 -18.712 -19.180 1.00 63.34 H new ATOM 0 HG12 ILE A 58 -0.859 -16.605 -17.888 1.00 31.33 H new ATOM 0 HG13 ILE A 58 -1.010 -17.817 -16.631 1.00 31.33 H new ATOM 0 HG21 ILE A 58 -1.584 -17.278 -19.984 1.00 40.01 H new ATOM 0 HG22 ILE A 58 -1.908 -18.999 -20.298 1.00 40.01 H new ATOM 0 HG23 ILE A 58 -2.728 -18.170 -18.953 1.00 40.01 H new ATOM 0 HD11 ILE A 58 1.078 -16.564 -16.396 1.00 41.34 H new ATOM 0 HD12 ILE A 58 1.413 -18.273 -16.762 1.00 41.34 H new ATOM 0 HD13 ILE A 58 1.566 -17.043 -18.039 1.00 41.34 H new ATOM 928 N PRO A 59 -2.241 -21.887 -18.730 1.00 3.40 N ATOM 929 CA PRO A 59 -2.660 -22.931 -19.669 1.00 32.31 C ATOM 930 C PRO A 59 -3.382 -22.362 -20.885 1.00 55.31 C ATOM 931 O PRO A 59 -3.821 -21.211 -20.876 1.00 32.41 O ATOM 932 CB PRO A 59 -3.612 -23.794 -18.837 1.00 73.32 C ATOM 933 CG PRO A 59 -4.133 -22.878 -17.785 1.00 3.55 C ATOM 934 CD PRO A 59 -3.013 -21.922 -17.477 1.00 22.54 C ATOM 0 HA PRO A 59 -1.810 -23.479 -20.075 1.00 32.31 H new ATOM 0 HB2 PRO A 59 -4.420 -24.194 -19.449 1.00 73.32 H new ATOM 0 HB3 PRO A 59 -3.093 -24.646 -18.398 1.00 73.32 H new ATOM 0 HG2 PRO A 59 -5.017 -22.344 -18.135 1.00 3.55 H new ATOM 0 HG3 PRO A 59 -4.428 -23.434 -16.895 1.00 3.55 H new ATOM 0 HD2 PRO A 59 -3.389 -20.935 -17.209 1.00 22.54 H new ATOM 0 HD3 PRO A 59 -2.406 -22.270 -16.641 1.00 22.54 H new ATOM 942 N ASP A 60 -3.503 -23.173 -21.930 1.00 21.44 N ATOM 943 CA ASP A 60 -4.174 -22.750 -23.153 1.00 61.44 C ATOM 944 C ASP A 60 -5.539 -22.144 -22.843 1.00 20.40 C ATOM 945 O ASP A 60 -5.954 -21.170 -23.471 1.00 30.20 O ATOM 946 CB ASP A 60 -4.333 -23.934 -24.109 1.00 21.45 C ATOM 947 CG ASP A 60 -3.058 -24.239 -24.871 1.00 12.52 C ATOM 948 OD1 ASP A 60 -1.970 -24.149 -24.266 1.00 2.24 O ATOM 949 OD2 ASP A 60 -3.149 -24.565 -26.073 1.00 30.51 O ATOM 0 H ASP A 60 -3.145 -24.128 -21.954 1.00 21.44 H new ATOM 0 HA ASP A 60 -3.558 -21.988 -23.630 1.00 61.44 H new ATOM 0 HB2 ASP A 60 -4.634 -24.816 -23.544 1.00 21.45 H new ATOM 0 HB3 ASP A 60 -5.134 -23.720 -24.817 1.00 21.45 H new ATOM 954 N ASP A 61 -6.232 -22.728 -21.872 1.00 15.13 N ATOM 955 CA ASP A 61 -7.551 -22.246 -21.478 1.00 11.42 C ATOM 956 C ASP A 61 -7.496 -20.773 -21.084 1.00 3.04 C ATOM 957 O ASP A 61 -8.414 -20.008 -21.375 1.00 73.15 O ATOM 958 CB ASP A 61 -8.096 -23.077 -20.315 1.00 64.44 C ATOM 959 CG ASP A 61 -8.775 -24.350 -20.782 1.00 51.33 C ATOM 960 OD1 ASP A 61 -8.835 -24.574 -22.009 1.00 54.31 O ATOM 961 OD2 ASP A 61 -9.247 -25.121 -19.921 1.00 14.02 O ATOM 0 H ASP A 61 -5.903 -23.536 -21.343 1.00 15.13 H new ATOM 0 HA ASP A 61 -8.219 -22.351 -22.333 1.00 11.42 H new ATOM 0 HB2 ASP A 61 -7.279 -23.331 -19.639 1.00 64.44 H new ATOM 0 HB3 ASP A 61 -8.806 -22.478 -19.745 1.00 64.44 H new ATOM 966 N GLU A 62 -6.413 -20.384 -20.418 1.00 44.12 N ATOM 967 CA GLU A 62 -6.239 -19.003 -19.983 1.00 34.24 C ATOM 968 C GLU A 62 -5.204 -18.286 -20.845 1.00 75.40 C ATOM 969 O GLU A 62 -4.750 -17.193 -20.508 1.00 70.51 O ATOM 970 CB GLU A 62 -5.815 -18.958 -18.513 1.00 45.04 C ATOM 971 CG GLU A 62 -6.669 -19.826 -17.606 1.00 32.54 C ATOM 972 CD GLU A 62 -8.082 -19.297 -17.453 1.00 21.22 C ATOM 973 OE1 GLU A 62 -8.254 -18.061 -17.429 1.00 44.34 O ATOM 974 OE2 GLU A 62 -9.016 -20.121 -17.357 1.00 11.42 O ATOM 0 H GLU A 62 -5.644 -21.005 -20.168 1.00 44.12 H new ATOM 0 HA GLU A 62 -7.195 -18.491 -20.094 1.00 34.24 H new ATOM 0 HB2 GLU A 62 -4.776 -19.277 -18.434 1.00 45.04 H new ATOM 0 HB3 GLU A 62 -5.860 -17.927 -18.162 1.00 45.04 H new ATOM 0 HG2 GLU A 62 -6.706 -20.839 -18.008 1.00 32.54 H new ATOM 0 HG3 GLU A 62 -6.201 -19.890 -16.624 1.00 32.54 H new ATOM 981 N ALA A 63 -4.836 -18.911 -21.959 1.00 15.20 N ATOM 982 CA ALA A 63 -3.857 -18.333 -22.871 1.00 1.04 C ATOM 983 C ALA A 63 -4.411 -17.089 -23.556 1.00 15.44 C ATOM 984 O ALA A 63 -3.673 -16.335 -24.191 1.00 11.01 O ATOM 985 CB ALA A 63 -3.429 -19.362 -23.907 1.00 0.33 C ATOM 0 H ALA A 63 -5.201 -19.817 -22.251 1.00 15.20 H new ATOM 0 HA ALA A 63 -2.985 -18.036 -22.288 1.00 1.04 H new ATOM 0 HB1 ALA A 63 -2.698 -18.917 -24.582 1.00 0.33 H new ATOM 0 HB2 ALA A 63 -2.984 -20.221 -23.405 1.00 0.33 H new ATOM 0 HB3 ALA A 63 -4.299 -19.687 -24.478 1.00 0.33 H new ATOM 991 N THR A 64 -5.718 -16.878 -23.423 1.00 64.25 N ATOM 992 CA THR A 64 -6.372 -15.726 -24.031 1.00 65.22 C ATOM 993 C THR A 64 -6.738 -14.684 -22.981 1.00 24.24 C ATOM 994 O THR A 64 -7.169 -13.579 -23.311 1.00 31.34 O ATOM 995 CB THR A 64 -7.645 -16.140 -24.793 1.00 21.13 C ATOM 996 OG1 THR A 64 -8.645 -16.586 -23.870 1.00 25.33 O ATOM 997 CG2 THR A 64 -7.342 -17.245 -25.793 1.00 61.33 C ATOM 0 H THR A 64 -6.344 -17.490 -22.899 1.00 64.25 H new ATOM 0 HA THR A 64 -5.661 -15.294 -24.735 1.00 65.22 H new ATOM 0 HB THR A 64 -8.015 -15.271 -25.337 1.00 21.13 H new ATOM 0 HG1 THR A 64 -9.452 -16.846 -24.362 1.00 25.33 H new ATOM 0 HG21 THR A 64 -8.256 -17.521 -26.319 1.00 61.33 H new ATOM 0 HG22 THR A 64 -6.602 -16.892 -26.512 1.00 61.33 H new ATOM 0 HG23 THR A 64 -6.950 -18.115 -25.266 1.00 61.33 H new ATOM 1005 N LYS A 65 -6.562 -15.042 -21.713 1.00 12.10 N ATOM 1006 CA LYS A 65 -6.872 -14.137 -20.612 1.00 70.33 C ATOM 1007 C LYS A 65 -5.671 -13.260 -20.274 1.00 64.41 C ATOM 1008 O LYS A 65 -5.693 -12.511 -19.297 1.00 62.30 O ATOM 1009 CB LYS A 65 -7.301 -14.932 -19.377 1.00 25.22 C ATOM 1010 CG LYS A 65 -8.717 -15.473 -19.463 1.00 13.13 C ATOM 1011 CD LYS A 65 -9.740 -14.351 -19.514 1.00 53.53 C ATOM 1012 CE LYS A 65 -11.101 -14.813 -19.015 1.00 4.11 C ATOM 1013 NZ LYS A 65 -12.141 -13.760 -19.184 1.00 25.42 N ATOM 0 H LYS A 65 -6.206 -15.953 -21.422 1.00 12.10 H new ATOM 0 HA LYS A 65 -7.693 -13.492 -20.925 1.00 70.33 H new ATOM 0 HB2 LYS A 65 -6.611 -15.764 -19.233 1.00 25.22 H new ATOM 0 HB3 LYS A 65 -7.218 -14.294 -18.497 1.00 25.22 H new ATOM 0 HG2 LYS A 65 -8.816 -16.097 -20.351 1.00 13.13 H new ATOM 0 HG3 LYS A 65 -8.917 -16.110 -18.602 1.00 13.13 H new ATOM 0 HD2 LYS A 65 -9.394 -13.514 -18.907 1.00 53.53 H new ATOM 0 HD3 LYS A 65 -9.831 -13.987 -20.537 1.00 53.53 H new ATOM 0 HE2 LYS A 65 -11.401 -15.710 -19.557 1.00 4.11 H new ATOM 0 HE3 LYS A 65 -11.028 -15.086 -17.962 1.00 4.11 H new ATOM 0 HZ1 LYS A 65 -13.054 -14.114 -18.832 1.00 25.42 H new ATOM 0 HZ2 LYS A 65 -11.868 -12.913 -18.647 1.00 25.42 H new ATOM 0 HZ3 LYS A 65 -12.229 -13.517 -20.191 1.00 25.42 H new ATOM 1027 N ILE A 66 -4.625 -13.358 -21.088 1.00 41.10 N ATOM 1028 CA ILE A 66 -3.416 -12.571 -20.876 1.00 32.44 C ATOM 1029 C ILE A 66 -2.792 -12.153 -22.203 1.00 33.13 C ATOM 1030 O ILE A 66 -1.643 -11.713 -22.250 1.00 55.12 O ATOM 1031 CB ILE A 66 -2.373 -13.353 -20.055 1.00 13.55 C ATOM 1032 CG1 ILE A 66 -1.586 -14.302 -20.960 1.00 51.11 C ATOM 1033 CG2 ILE A 66 -3.052 -14.124 -18.932 1.00 52.53 C ATOM 1034 CD1 ILE A 66 -2.464 -15.188 -21.815 1.00 73.05 C ATOM 0 H ILE A 66 -4.590 -13.974 -21.900 1.00 41.10 H new ATOM 0 HA ILE A 66 -3.712 -11.681 -20.320 1.00 32.44 H new ATOM 0 HB ILE A 66 -1.675 -12.643 -19.611 1.00 13.55 H new ATOM 0 HG12 ILE A 66 -0.934 -13.716 -21.608 1.00 51.11 H new ATOM 0 HG13 ILE A 66 -0.942 -14.929 -20.343 1.00 51.11 H new ATOM 0 HG21 ILE A 66 -2.302 -14.671 -18.361 1.00 52.53 H new ATOM 0 HG22 ILE A 66 -3.571 -13.427 -18.274 1.00 52.53 H new ATOM 0 HG23 ILE A 66 -3.770 -14.827 -19.355 1.00 52.53 H new ATOM 0 HD11 ILE A 66 -1.839 -15.834 -22.431 1.00 73.05 H new ATOM 0 HD12 ILE A 66 -3.098 -15.800 -21.173 1.00 73.05 H new ATOM 0 HD13 ILE A 66 -3.090 -14.569 -22.458 1.00 73.05 H new ATOM 1046 N LYS A 67 -3.558 -12.292 -23.280 1.00 2.12 N ATOM 1047 CA LYS A 67 -3.083 -11.926 -24.609 1.00 1.21 C ATOM 1048 C LYS A 67 -2.975 -10.411 -24.750 1.00 53.21 C ATOM 1049 O LYS A 67 -1.944 -9.888 -25.173 1.00 42.51 O ATOM 1050 CB LYS A 67 -4.023 -12.483 -25.680 1.00 60.03 C ATOM 1051 CG LYS A 67 -3.305 -12.965 -26.929 1.00 4.03 C ATOM 1052 CD LYS A 67 -4.089 -12.631 -28.187 1.00 25.40 C ATOM 1053 CE LYS A 67 -4.951 -13.802 -28.633 1.00 64.33 C ATOM 1054 NZ LYS A 67 -6.381 -13.611 -28.264 1.00 45.32 N ATOM 0 H LYS A 67 -4.511 -12.656 -23.258 1.00 2.12 H new ATOM 0 HA LYS A 67 -2.091 -12.357 -24.745 1.00 1.21 H new ATOM 0 HB2 LYS A 67 -4.593 -13.310 -25.257 1.00 60.03 H new ATOM 0 HB3 LYS A 67 -4.741 -11.711 -25.959 1.00 60.03 H new ATOM 0 HG2 LYS A 67 -2.318 -12.506 -26.982 1.00 4.03 H new ATOM 0 HG3 LYS A 67 -3.153 -14.043 -26.869 1.00 4.03 H new ATOM 0 HD2 LYS A 67 -4.721 -11.762 -28.003 1.00 25.40 H new ATOM 0 HD3 LYS A 67 -3.399 -12.360 -28.986 1.00 25.40 H new ATOM 0 HE2 LYS A 67 -4.868 -13.923 -29.713 1.00 64.33 H new ATOM 0 HE3 LYS A 67 -4.579 -14.720 -28.179 1.00 64.33 H new ATOM 0 HZ1 LYS A 67 -6.935 -14.430 -28.585 1.00 45.32 H new ATOM 0 HZ2 LYS A 67 -6.464 -13.521 -27.231 1.00 45.32 H new ATOM 0 HZ3 LYS A 67 -6.744 -12.748 -28.717 1.00 45.32 H new ATOM 1068 N THR A 68 -4.047 -9.710 -24.392 1.00 3.10 N ATOM 1069 CA THR A 68 -4.072 -8.255 -24.478 1.00 74.34 C ATOM 1070 C THR A 68 -3.435 -7.620 -23.248 1.00 61.01 C ATOM 1071 O THR A 68 -3.529 -8.153 -22.142 1.00 54.13 O ATOM 1072 CB THR A 68 -5.511 -7.727 -24.628 1.00 15.33 C ATOM 1073 OG1 THR A 68 -6.425 -8.594 -23.947 1.00 10.03 O ATOM 1074 CG2 THR A 68 -5.900 -7.623 -26.095 1.00 35.23 C ATOM 0 H THR A 68 -4.909 -10.127 -24.040 1.00 3.10 H new ATOM 0 HA THR A 68 -3.498 -7.980 -25.363 1.00 74.34 H new ATOM 0 HB THR A 68 -5.557 -6.732 -24.185 1.00 15.33 H new ATOM 0 HG1 THR A 68 -6.902 -8.089 -23.256 1.00 10.03 H new ATOM 0 HG21 THR A 68 -6.920 -7.248 -26.175 1.00 35.23 H new ATOM 0 HG22 THR A 68 -5.221 -6.939 -26.604 1.00 35.23 H new ATOM 0 HG23 THR A 68 -5.838 -8.608 -26.559 1.00 35.23 H new ATOM 1082 N VAL A 69 -2.786 -6.477 -23.447 1.00 24.30 N ATOM 1083 CA VAL A 69 -2.134 -5.768 -22.353 1.00 3.13 C ATOM 1084 C VAL A 69 -3.105 -5.518 -21.204 1.00 44.22 C ATOM 1085 O VAL A 69 -2.705 -5.458 -20.042 1.00 23.15 O ATOM 1086 CB VAL A 69 -1.554 -4.421 -22.823 1.00 55.53 C ATOM 1087 CG1 VAL A 69 -0.758 -3.762 -21.707 1.00 32.31 C ATOM 1088 CG2 VAL A 69 -0.692 -4.615 -24.061 1.00 70.22 C ATOM 0 H VAL A 69 -2.698 -6.023 -24.356 1.00 24.30 H new ATOM 0 HA VAL A 69 -1.320 -6.404 -22.005 1.00 3.13 H new ATOM 0 HB VAL A 69 -2.381 -3.761 -23.084 1.00 55.53 H new ATOM 0 HG11 VAL A 69 -0.356 -2.812 -22.059 1.00 32.31 H new ATOM 0 HG12 VAL A 69 -1.409 -3.586 -20.851 1.00 32.31 H new ATOM 0 HG13 VAL A 69 0.063 -4.415 -21.411 1.00 32.31 H new ATOM 0 HG21 VAL A 69 -0.290 -3.653 -24.379 1.00 70.22 H new ATOM 0 HG22 VAL A 69 0.130 -5.293 -23.830 1.00 70.22 H new ATOM 0 HG23 VAL A 69 -1.297 -5.039 -24.863 1.00 70.22 H new ATOM 1098 N SER A 70 -4.383 -5.373 -21.538 1.00 41.21 N ATOM 1099 CA SER A 70 -5.412 -5.126 -20.535 1.00 2.32 C ATOM 1100 C SER A 70 -5.781 -6.415 -19.807 1.00 12.43 C ATOM 1101 O SER A 70 -6.128 -6.396 -18.626 1.00 2.25 O ATOM 1102 CB SER A 70 -6.656 -4.521 -21.188 1.00 11.01 C ATOM 1103 OG SER A 70 -7.563 -4.040 -20.210 1.00 64.44 O ATOM 0 H SER A 70 -4.731 -5.422 -22.496 1.00 41.21 H new ATOM 0 HA SER A 70 -5.013 -4.420 -19.807 1.00 2.32 H new ATOM 0 HB2 SER A 70 -6.363 -3.705 -21.849 1.00 11.01 H new ATOM 0 HB3 SER A 70 -7.148 -5.272 -21.806 1.00 11.01 H new ATOM 0 HG SER A 70 -8.349 -3.657 -20.653 1.00 64.44 H new ATOM 1109 N ASP A 71 -5.704 -7.532 -20.520 1.00 73.43 N ATOM 1110 CA ASP A 71 -6.029 -8.832 -19.943 1.00 51.34 C ATOM 1111 C ASP A 71 -4.836 -9.402 -19.182 1.00 72.05 C ATOM 1112 O ASP A 71 -4.997 -10.229 -18.285 1.00 1.02 O ATOM 1113 CB ASP A 71 -6.464 -9.806 -21.039 1.00 41.14 C ATOM 1114 CG ASP A 71 -7.893 -9.573 -21.487 1.00 74.12 C ATOM 1115 OD1 ASP A 71 -8.175 -8.484 -22.029 1.00 70.12 O ATOM 1116 OD2 ASP A 71 -8.731 -10.480 -21.295 1.00 1.32 O ATOM 0 H ASP A 71 -5.419 -7.565 -21.499 1.00 73.43 H new ATOM 0 HA ASP A 71 -6.852 -8.695 -19.242 1.00 51.34 H new ATOM 0 HB2 ASP A 71 -5.797 -9.706 -21.895 1.00 41.14 H new ATOM 0 HB3 ASP A 71 -6.363 -10.828 -20.674 1.00 41.14 H new ATOM 1121 N VAL A 72 -3.639 -8.955 -19.548 1.00 61.23 N ATOM 1122 CA VAL A 72 -2.418 -9.421 -18.901 1.00 15.25 C ATOM 1123 C VAL A 72 -2.421 -9.081 -17.414 1.00 73.23 C ATOM 1124 O VAL A 72 -2.460 -9.971 -16.564 1.00 73.11 O ATOM 1125 CB VAL A 72 -1.167 -8.806 -19.554 1.00 64.11 C ATOM 1126 CG1 VAL A 72 0.091 -9.252 -18.824 1.00 11.04 C ATOM 1127 CG2 VAL A 72 -1.098 -9.179 -21.027 1.00 43.33 C ATOM 0 H VAL A 72 -3.489 -8.271 -20.289 1.00 61.23 H new ATOM 0 HA VAL A 72 -2.387 -10.504 -19.024 1.00 15.25 H new ATOM 0 HB VAL A 72 -1.236 -7.721 -19.480 1.00 64.11 H new ATOM 0 HG11 VAL A 72 0.965 -8.807 -19.300 1.00 11.04 H new ATOM 0 HG12 VAL A 72 0.041 -8.930 -17.784 1.00 11.04 H new ATOM 0 HG13 VAL A 72 0.169 -10.338 -18.865 1.00 11.04 H new ATOM 0 HG21 VAL A 72 -0.208 -8.736 -21.473 1.00 43.33 H new ATOM 0 HG22 VAL A 72 -1.052 -10.264 -21.126 1.00 43.33 H new ATOM 0 HG23 VAL A 72 -1.985 -8.805 -21.539 1.00 43.33 H new ATOM 1137 N ILE A 73 -2.380 -7.789 -17.108 1.00 51.24 N ATOM 1138 CA ILE A 73 -2.380 -7.332 -15.724 1.00 45.43 C ATOM 1139 C ILE A 73 -3.704 -7.650 -15.040 1.00 33.34 C ATOM 1140 O ILE A 73 -3.772 -7.765 -13.816 1.00 2.44 O ATOM 1141 CB ILE A 73 -2.118 -5.817 -15.632 1.00 53.40 C ATOM 1142 CG1 ILE A 73 -0.916 -5.431 -16.496 1.00 2.21 C ATOM 1143 CG2 ILE A 73 -1.891 -5.406 -14.185 1.00 14.51 C ATOM 1144 CD1 ILE A 73 0.351 -6.175 -16.135 1.00 10.40 C ATOM 0 H ILE A 73 -2.346 -7.040 -17.800 1.00 51.24 H new ATOM 0 HA ILE A 73 -1.575 -7.863 -15.216 1.00 45.43 H new ATOM 0 HB ILE A 73 -2.995 -5.288 -16.006 1.00 53.40 H new ATOM 0 HG12 ILE A 73 -1.154 -5.622 -17.542 1.00 2.21 H new ATOM 0 HG13 ILE A 73 -0.739 -4.360 -16.400 1.00 2.21 H new ATOM 0 HG21 ILE A 73 -1.707 -4.333 -14.136 1.00 14.51 H new ATOM 0 HG22 ILE A 73 -2.774 -5.650 -13.595 1.00 14.51 H new ATOM 0 HG23 ILE A 73 -1.029 -5.940 -13.786 1.00 14.51 H new ATOM 0 HD11 ILE A 73 1.162 -5.851 -16.788 1.00 10.40 H new ATOM 0 HD12 ILE A 73 0.614 -5.964 -15.098 1.00 10.40 H new ATOM 0 HD13 ILE A 73 0.192 -7.246 -16.258 1.00 10.40 H new ATOM 1156 N LYS A 74 -4.757 -7.795 -15.838 1.00 3.33 N ATOM 1157 CA LYS A 74 -6.081 -8.104 -15.311 1.00 4.35 C ATOM 1158 C LYS A 74 -6.132 -9.530 -14.772 1.00 14.22 C ATOM 1159 O LYS A 74 -6.564 -9.762 -13.642 1.00 44.40 O ATOM 1160 CB LYS A 74 -7.141 -7.919 -16.398 1.00 71.44 C ATOM 1161 CG LYS A 74 -8.526 -8.383 -15.982 1.00 53.02 C ATOM 1162 CD LYS A 74 -8.795 -9.810 -16.431 1.00 10.32 C ATOM 1163 CE LYS A 74 -9.460 -10.624 -15.332 1.00 13.45 C ATOM 1164 NZ LYS A 74 -10.946 -10.579 -15.430 1.00 5.44 N ATOM 0 H LYS A 74 -4.719 -7.703 -16.853 1.00 3.33 H new ATOM 0 HA LYS A 74 -6.288 -7.417 -14.491 1.00 4.35 H new ATOM 0 HB2 LYS A 74 -7.187 -6.865 -16.673 1.00 71.44 H new ATOM 0 HB3 LYS A 74 -6.835 -8.468 -17.289 1.00 71.44 H new ATOM 0 HG2 LYS A 74 -8.622 -8.317 -14.898 1.00 53.02 H new ATOM 0 HG3 LYS A 74 -9.277 -7.719 -16.409 1.00 53.02 H new ATOM 0 HD2 LYS A 74 -9.433 -9.800 -17.315 1.00 10.32 H new ATOM 0 HD3 LYS A 74 -7.857 -10.285 -16.720 1.00 10.32 H new ATOM 0 HE2 LYS A 74 -9.123 -11.659 -15.392 1.00 13.45 H new ATOM 0 HE3 LYS A 74 -9.149 -10.244 -14.359 1.00 13.45 H new ATOM 0 HZ1 LYS A 74 -11.362 -11.146 -14.664 1.00 5.44 H new ATOM 0 HZ2 LYS A 74 -11.270 -9.594 -15.347 1.00 5.44 H new ATOM 0 HZ3 LYS A 74 -11.245 -10.966 -16.348 1.00 5.44 H new ATOM 1178 N TYR A 75 -5.689 -10.481 -15.586 1.00 34.31 N ATOM 1179 CA TYR A 75 -5.686 -11.885 -15.191 1.00 13.20 C ATOM 1180 C TYR A 75 -4.505 -12.190 -14.275 1.00 32.41 C ATOM 1181 O TYR A 75 -4.680 -12.700 -13.168 1.00 0.14 O ATOM 1182 CB TYR A 75 -5.633 -12.784 -16.427 1.00 73.12 C ATOM 1183 CG TYR A 75 -5.546 -14.258 -16.101 1.00 12.23 C ATOM 1184 CD1 TYR A 75 -6.685 -14.986 -15.778 1.00 23.21 C ATOM 1185 CD2 TYR A 75 -4.326 -14.922 -16.114 1.00 2.31 C ATOM 1186 CE1 TYR A 75 -6.610 -16.333 -15.478 1.00 50.31 C ATOM 1187 CE2 TYR A 75 -4.242 -16.268 -15.817 1.00 21.21 C ATOM 1188 CZ TYR A 75 -5.387 -16.969 -15.499 1.00 64.35 C ATOM 1189 OH TYR A 75 -5.307 -18.310 -15.202 1.00 20.43 O ATOM 0 H TYR A 75 -5.327 -10.306 -16.523 1.00 34.31 H new ATOM 0 HA TYR A 75 -6.608 -12.085 -14.644 1.00 13.20 H new ATOM 0 HB2 TYR A 75 -6.521 -12.606 -17.033 1.00 73.12 H new ATOM 0 HB3 TYR A 75 -4.772 -12.503 -17.033 1.00 73.12 H new ATOM 0 HD1 TYR A 75 -7.645 -14.491 -15.761 1.00 23.21 H new ATOM 0 HD2 TYR A 75 -3.427 -14.376 -16.361 1.00 2.31 H new ATOM 0 HE1 TYR A 75 -7.505 -16.884 -15.228 1.00 50.31 H new ATOM 0 HE2 TYR A 75 -3.285 -16.769 -15.834 1.00 21.21 H new ATOM 0 HH TYR A 75 -4.374 -18.604 -15.263 1.00 20.43 H new ATOM 1199 N ILE A 76 -3.303 -11.875 -14.745 1.00 52.11 N ATOM 1200 CA ILE A 76 -2.093 -12.114 -13.969 1.00 1.43 C ATOM 1201 C ILE A 76 -2.230 -11.563 -12.553 1.00 75.32 C ATOM 1202 O ILE A 76 -1.611 -12.068 -11.616 1.00 14.40 O ATOM 1203 CB ILE A 76 -0.860 -11.477 -14.637 1.00 53.24 C ATOM 1204 CG1 ILE A 76 -0.580 -12.148 -15.984 1.00 4.25 C ATOM 1205 CG2 ILE A 76 0.352 -11.582 -13.724 1.00 34.32 C ATOM 1206 CD1 ILE A 76 0.630 -11.587 -16.698 1.00 0.33 C ATOM 0 H ILE A 76 -3.141 -11.454 -15.660 1.00 52.11 H new ATOM 0 HA ILE A 76 -1.955 -13.194 -13.925 1.00 1.43 H new ATOM 0 HB ILE A 76 -1.065 -10.421 -14.814 1.00 53.24 H new ATOM 0 HG12 ILE A 76 -0.435 -13.217 -15.825 1.00 4.25 H new ATOM 0 HG13 ILE A 76 -1.454 -12.036 -16.625 1.00 4.25 H new ATOM 0 HG21 ILE A 76 1.215 -11.127 -14.211 1.00 34.32 H new ATOM 0 HG22 ILE A 76 0.148 -11.063 -12.788 1.00 34.32 H new ATOM 0 HG23 ILE A 76 0.563 -12.631 -13.518 1.00 34.32 H new ATOM 0 HD11 ILE A 76 0.768 -12.109 -17.645 1.00 0.33 H new ATOM 0 HD12 ILE A 76 0.480 -10.524 -16.888 1.00 0.33 H new ATOM 0 HD13 ILE A 76 1.515 -11.723 -16.076 1.00 0.33 H new ATOM 1218 N LYS A 77 -3.048 -10.526 -12.404 1.00 62.43 N ATOM 1219 CA LYS A 77 -3.271 -9.908 -11.103 1.00 3.02 C ATOM 1220 C LYS A 77 -3.684 -10.950 -10.069 1.00 33.32 C ATOM 1221 O LYS A 77 -2.948 -11.224 -9.122 1.00 1.43 O ATOM 1222 CB LYS A 77 -4.346 -8.824 -11.208 1.00 4.33 C ATOM 1223 CG LYS A 77 -5.026 -8.512 -9.886 1.00 73.12 C ATOM 1224 CD LYS A 77 -5.473 -7.061 -9.817 1.00 65.32 C ATOM 1225 CE LYS A 77 -6.591 -6.775 -10.807 1.00 13.40 C ATOM 1226 NZ LYS A 77 -6.812 -5.313 -10.986 1.00 50.14 N ATOM 0 H LYS A 77 -3.568 -10.096 -13.169 1.00 62.43 H new ATOM 0 HA LYS A 77 -2.335 -9.453 -10.780 1.00 3.02 H new ATOM 0 HB2 LYS A 77 -3.894 -7.912 -11.599 1.00 4.33 H new ATOM 0 HB3 LYS A 77 -5.100 -9.140 -11.929 1.00 4.33 H new ATOM 0 HG2 LYS A 77 -5.888 -9.166 -9.756 1.00 73.12 H new ATOM 0 HG3 LYS A 77 -4.341 -8.722 -9.065 1.00 73.12 H new ATOM 0 HD2 LYS A 77 -5.812 -6.831 -8.807 1.00 65.32 H new ATOM 0 HD3 LYS A 77 -4.626 -6.408 -10.025 1.00 65.32 H new ATOM 0 HE2 LYS A 77 -6.349 -7.226 -11.769 1.00 13.40 H new ATOM 0 HE3 LYS A 77 -7.513 -7.242 -10.459 1.00 13.40 H new ATOM 0 HZ1 LYS A 77 -7.582 -5.159 -11.668 1.00 50.14 H new ATOM 0 HZ2 LYS A 77 -7.068 -4.886 -10.073 1.00 50.14 H new ATOM 0 HZ3 LYS A 77 -5.940 -4.871 -11.342 1.00 50.14 H new ATOM 1240 N GLU A 78 -4.866 -11.529 -10.259 1.00 21.34 N ATOM 1241 CA GLU A 78 -5.376 -12.542 -9.342 1.00 25.13 C ATOM 1242 C GLU A 78 -4.549 -13.822 -9.431 1.00 13.01 C ATOM 1243 O GLU A 78 -4.568 -14.650 -8.520 1.00 61.12 O ATOM 1244 CB GLU A 78 -6.843 -12.847 -9.648 1.00 73.23 C ATOM 1245 CG GLU A 78 -7.796 -11.743 -9.223 1.00 32.04 C ATOM 1246 CD GLU A 78 -9.245 -12.192 -9.218 1.00 24.12 C ATOM 1247 OE1 GLU A 78 -9.485 -13.417 -9.192 1.00 20.43 O ATOM 1248 OE2 GLU A 78 -10.137 -11.319 -9.240 1.00 71.23 O ATOM 0 H GLU A 78 -5.488 -11.314 -11.039 1.00 21.34 H new ATOM 0 HA GLU A 78 -5.298 -12.150 -8.328 1.00 25.13 H new ATOM 0 HB2 GLU A 78 -6.954 -13.019 -10.719 1.00 73.23 H new ATOM 0 HB3 GLU A 78 -7.125 -13.772 -9.146 1.00 73.23 H new ATOM 0 HG2 GLU A 78 -7.523 -11.397 -8.226 1.00 32.04 H new ATOM 0 HG3 GLU A 78 -7.685 -10.893 -9.897 1.00 32.04 H new ATOM 1255 N ARG A 79 -3.826 -13.976 -10.535 1.00 22.40 N ATOM 1256 CA ARG A 79 -2.994 -15.155 -10.745 1.00 32.42 C ATOM 1257 C ARG A 79 -1.755 -15.112 -9.856 1.00 2.32 C ATOM 1258 O ARG A 79 -1.267 -16.147 -9.404 1.00 34.43 O ATOM 1259 CB ARG A 79 -2.578 -15.258 -12.213 1.00 52.44 C ATOM 1260 CG ARG A 79 -2.517 -16.685 -12.731 1.00 72.32 C ATOM 1261 CD ARG A 79 -1.181 -17.337 -12.411 1.00 34.53 C ATOM 1262 NE ARG A 79 -1.316 -18.771 -12.169 1.00 33.40 N ATOM 1263 CZ ARG A 79 -0.422 -19.491 -11.500 1.00 74.32 C ATOM 1264 NH1 ARG A 79 0.665 -18.914 -11.009 1.00 2.31 N ATOM 1265 NH2 ARG A 79 -0.616 -20.792 -11.321 1.00 41.23 N ATOM 0 H ARG A 79 -3.799 -13.299 -11.298 1.00 22.40 H new ATOM 0 HA ARG A 79 -3.581 -16.034 -10.479 1.00 32.42 H new ATOM 0 HB2 ARG A 79 -3.281 -14.690 -12.822 1.00 52.44 H new ATOM 0 HB3 ARG A 79 -1.600 -14.793 -12.338 1.00 52.44 H new ATOM 0 HG2 ARG A 79 -3.324 -17.269 -12.288 1.00 72.32 H new ATOM 0 HG3 ARG A 79 -2.676 -16.689 -13.809 1.00 72.32 H new ATOM 0 HD2 ARG A 79 -0.490 -17.172 -13.238 1.00 34.53 H new ATOM 0 HD3 ARG A 79 -0.746 -16.860 -11.532 1.00 34.53 H new ATOM 0 HE ARG A 79 -2.142 -19.246 -12.534 1.00 33.40 H new ATOM 0 HH11 ARG A 79 0.817 -17.915 -11.144 1.00 2.31 H new ATOM 0 HH12 ARG A 79 1.350 -19.469 -10.496 1.00 2.31 H new ATOM 0 HH21 ARG A 79 -1.452 -21.240 -11.697 1.00 41.23 H new ATOM 0 HH22 ARG A 79 0.071 -21.344 -10.807 1.00 41.23 H new ATOM 1279 N GLN A 80 -1.251 -13.907 -9.611 1.00 1.53 N ATOM 1280 CA GLN A 80 -0.068 -13.729 -8.777 1.00 42.21 C ATOM 1281 C GLN A 80 -0.327 -14.212 -7.354 1.00 12.31 C ATOM 1282 O GLN A 80 -1.315 -13.828 -6.728 1.00 53.11 O ATOM 1283 CB GLN A 80 0.354 -12.259 -8.761 1.00 2.44 C ATOM 1284 CG GLN A 80 1.206 -11.857 -9.954 1.00 55.51 C ATOM 1285 CD GLN A 80 2.587 -12.480 -9.922 1.00 71.32 C ATOM 1286 OE1 GLN A 80 3.054 -12.929 -8.875 1.00 2.41 O ATOM 1287 NE2 GLN A 80 3.249 -12.513 -11.073 1.00 11.42 N ATOM 0 H GLN A 80 -1.643 -13.040 -9.978 1.00 1.53 H new ATOM 0 HA GLN A 80 0.738 -14.326 -9.202 1.00 42.21 H new ATOM 0 HB2 GLN A 80 -0.539 -11.634 -8.736 1.00 2.44 H new ATOM 0 HB3 GLN A 80 0.909 -12.059 -7.845 1.00 2.44 H new ATOM 0 HG2 GLN A 80 0.700 -12.152 -10.873 1.00 55.51 H new ATOM 0 HG3 GLN A 80 1.302 -10.771 -9.978 1.00 55.51 H new ATOM 0 HE21 GLN A 80 2.824 -12.129 -11.917 1.00 11.42 H new ATOM 0 HE22 GLN A 80 4.183 -12.922 -11.113 1.00 11.42 H new ATOM 1296 N SER A 81 0.567 -15.056 -6.849 1.00 14.25 N ATOM 1297 CA SER A 81 0.432 -15.595 -5.500 1.00 41.32 C ATOM 1298 C SER A 81 0.618 -14.498 -4.456 1.00 22.21 C ATOM 1299 O SER A 81 -0.031 -14.506 -3.411 1.00 64.11 O ATOM 1300 CB SER A 81 1.452 -16.712 -5.271 1.00 12.24 C ATOM 1301 OG SER A 81 1.506 -17.589 -6.382 1.00 31.40 O ATOM 0 H SER A 81 1.392 -15.381 -7.353 1.00 14.25 H new ATOM 0 HA SER A 81 -0.573 -16.004 -5.397 1.00 41.32 H new ATOM 0 HB2 SER A 81 2.437 -16.279 -5.097 1.00 12.24 H new ATOM 0 HB3 SER A 81 1.187 -17.272 -4.374 1.00 12.24 H new ATOM 0 HG SER A 81 2.166 -18.293 -6.211 1.00 31.40 H new TER 1307 SER A 81