USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 837 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+ -120:sc= 0.939 (180deg=-0.279) USER MOD Single : A 3 LYS NZ :NH3+ 138:sc= -0.304 (180deg=-1.17!) USER MOD Single : A 4 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 138:sc= 0.366 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0873 USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= 0.912 (180deg=0.499) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 86:sc= 0.581 USER MOD Single : A 46 SER OG : rot -29:sc= 0.391 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.978 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.944 K(o=-0.94,f=-2.4!) USER MOD Single : A 63 GLN : amide:sc= -0.986 K(o=-0.99,f=-0.36) USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0405) USER MOD Single : A 69 TYR OH : rot -94:sc= 0.916 USER MOD Single : A 76 THR OG1 : rot -89:sc= -1.83 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.962 K(o=-0.96,f=-0.33) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= -0.132 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-2.3) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.185 K(o=-0.18,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.604 -6.864 -1.066 1.00 0.00 N ATOM 2 CA MET A 1 2.261 -5.505 -1.559 1.00 0.00 C ATOM 3 C MET A 1 0.773 -5.392 -1.876 1.00 0.00 C ATOM 4 O MET A 1 0.006 -6.330 -1.661 1.00 0.00 O ATOM 5 CB MET A 1 3.089 -5.217 -2.813 1.00 0.00 C ATOM 6 CG MET A 1 2.967 -6.288 -3.886 1.00 0.00 C ATOM 7 SD MET A 1 4.253 -7.546 -3.759 1.00 0.00 S ATOM 8 CE MET A 1 3.774 -8.656 -5.080 1.00 0.00 C ATOM 0 H1 MET A 1 3.002 -6.795 -0.108 1.00 0.00 H new ATOM 0 H2 MET A 1 1.746 -7.452 -1.043 1.00 0.00 H new ATOM 0 H3 MET A 1 3.304 -7.297 -1.702 1.00 0.00 H new ATOM 0 HA MET A 1 2.488 -4.776 -0.781 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.778 -4.260 -3.231 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.137 -5.116 -2.530 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.989 -6.764 -3.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.018 -5.820 -4.869 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.476 -9.488 -5.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.771 -9.038 -4.889 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.783 -8.118 -6.028 1.00 0.00 H new ATOM 20 N VAL A 2 0.374 -4.235 -2.393 1.00 0.00 N ATOM 21 CA VAL A 2 -1.019 -3.995 -2.745 1.00 0.00 C ATOM 22 C VAL A 2 -1.136 -3.551 -4.197 1.00 0.00 C ATOM 23 O VAL A 2 -0.258 -2.865 -4.718 1.00 0.00 O ATOM 24 CB VAL A 2 -1.651 -2.923 -1.830 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.134 -2.748 -2.132 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.441 -3.281 -0.366 1.00 0.00 C ATOM 0 H VAL A 2 0.997 -3.449 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.557 -4.933 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.154 -1.974 -2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.552 -1.987 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.260 -2.438 -3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.652 -3.693 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.893 -2.515 0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.907 -4.244 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.373 -3.341 -0.156 1.00 0.00 H new ATOM 36 N LYS A 3 -2.221 -3.950 -4.851 1.00 0.00 N ATOM 37 CA LYS A 3 -2.434 -3.591 -6.243 1.00 0.00 C ATOM 38 C LYS A 3 -3.904 -3.312 -6.497 1.00 0.00 C ATOM 39 O LYS A 3 -4.761 -4.175 -6.303 1.00 0.00 O ATOM 40 CB LYS A 3 -1.944 -4.709 -7.175 1.00 0.00 C ATOM 41 CG LYS A 3 -2.094 -6.109 -6.598 1.00 0.00 C ATOM 42 CD LYS A 3 -0.817 -6.569 -5.917 1.00 0.00 C ATOM 43 CE LYS A 3 -0.749 -8.086 -5.826 1.00 0.00 C ATOM 44 NZ LYS A 3 -0.910 -8.731 -7.159 1.00 0.00 N ATOM 0 H LYS A 3 -2.961 -4.519 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.860 -2.688 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.496 -4.653 -8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.894 -4.536 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.915 -6.122 -5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.355 -6.806 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.046 -6.198 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.762 -6.141 -4.916 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.207 -8.381 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.528 -8.444 -5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.231 -9.514 -7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.878 -9.099 -7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.733 -8.031 -7.907 1.00 0.00 H new ATOM 58 N GLN A 4 -4.188 -2.091 -6.924 1.00 0.00 N ATOM 59 CA GLN A 4 -5.552 -1.687 -7.203 1.00 0.00 C ATOM 60 C GLN A 4 -6.028 -2.332 -8.501 1.00 0.00 C ATOM 61 O GLN A 4 -5.365 -2.237 -9.533 1.00 0.00 O ATOM 62 CB GLN A 4 -5.645 -0.163 -7.290 1.00 0.00 C ATOM 63 CG GLN A 4 -7.038 0.348 -7.623 1.00 0.00 C ATOM 64 CD GLN A 4 -7.563 1.331 -6.593 1.00 0.00 C ATOM 65 OE1 GLN A 4 -7.073 2.456 -6.485 1.00 0.00 O ATOM 66 NE2 GLN A 4 -8.565 0.911 -5.829 1.00 0.00 N ATOM 0 H GLN A 4 -3.490 -1.365 -7.084 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.197 -2.022 -6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.328 0.266 -6.339 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -4.947 0.192 -8.048 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.020 0.828 -8.601 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.723 -0.497 -7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.941 -0.029 -5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.959 1.529 -5.119 1.00 0.00 H new ATOM 75 N ILE A 5 -7.174 -2.992 -8.438 1.00 0.00 N ATOM 76 CA ILE A 5 -7.740 -3.663 -9.602 1.00 0.00 C ATOM 77 C ILE A 5 -8.858 -2.814 -10.213 1.00 0.00 C ATOM 78 O ILE A 5 -9.945 -2.698 -9.648 1.00 0.00 O ATOM 79 CB ILE A 5 -8.247 -5.080 -9.218 1.00 0.00 C ATOM 80 CG1 ILE A 5 -7.145 -6.124 -9.442 1.00 0.00 C ATOM 81 CG2 ILE A 5 -9.494 -5.465 -10.001 1.00 0.00 C ATOM 82 CD1 ILE A 5 -5.759 -5.665 -9.028 1.00 0.00 C ATOM 0 H ILE A 5 -7.734 -3.078 -7.590 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.961 -3.782 -10.355 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.509 -5.056 -8.160 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.397 -7.027 -8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.126 -6.394 -10.498 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.817 -6.463 -9.703 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.289 -4.749 -9.793 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.270 -5.459 -11.068 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.040 -6.461 -9.219 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.482 -4.780 -9.602 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.758 -5.423 -7.965 1.00 0.00 H new ATOM 94 N GLU A 6 -8.577 -2.218 -11.372 1.00 0.00 N ATOM 95 CA GLU A 6 -9.551 -1.376 -12.058 1.00 0.00 C ATOM 96 C GLU A 6 -10.287 -2.131 -13.163 1.00 0.00 C ATOM 97 O GLU A 6 -10.860 -1.517 -14.064 1.00 0.00 O ATOM 98 CB GLU A 6 -8.870 -0.131 -12.637 1.00 0.00 C ATOM 99 CG GLU A 6 -8.899 1.071 -11.705 1.00 0.00 C ATOM 100 CD GLU A 6 -8.609 2.375 -12.422 1.00 0.00 C ATOM 101 OE1 GLU A 6 -9.288 2.664 -13.428 1.00 0.00 O ATOM 102 OE2 GLU A 6 -7.703 3.110 -11.974 1.00 0.00 O ATOM 0 H GLU A 6 -7.682 -2.304 -11.854 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.291 -1.072 -11.317 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.833 -0.371 -12.873 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.357 0.136 -13.575 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.878 1.133 -11.229 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.167 0.927 -10.911 1.00 0.00 H new ATOM 109 N SER A 7 -10.271 -3.456 -13.099 1.00 0.00 N ATOM 110 CA SER A 7 -10.940 -4.270 -14.109 1.00 0.00 C ATOM 111 C SER A 7 -11.296 -5.652 -13.561 1.00 0.00 C ATOM 112 O SER A 7 -10.710 -6.113 -12.580 1.00 0.00 O ATOM 113 CB SER A 7 -10.054 -4.409 -15.348 1.00 0.00 C ATOM 114 OG SER A 7 -10.835 -4.467 -16.530 1.00 0.00 O ATOM 0 H SER A 7 -9.806 -3.989 -12.364 1.00 0.00 H new ATOM 0 HA SER A 7 -11.866 -3.767 -14.386 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.366 -3.565 -15.404 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.446 -5.310 -15.265 1.00 0.00 H new ATOM 0 HG SER A 7 -10.245 -4.554 -17.308 1.00 0.00 H new ATOM 120 N LYS A 8 -12.251 -6.313 -14.209 1.00 0.00 N ATOM 121 CA LYS A 8 -12.679 -7.644 -13.792 1.00 0.00 C ATOM 122 C LYS A 8 -11.611 -8.686 -14.116 1.00 0.00 C ATOM 123 O LYS A 8 -11.522 -9.722 -13.456 1.00 0.00 O ATOM 124 CB LYS A 8 -14.003 -8.008 -14.473 1.00 0.00 C ATOM 125 CG LYS A 8 -14.500 -9.408 -14.145 1.00 0.00 C ATOM 126 CD LYS A 8 -14.602 -10.274 -15.393 1.00 0.00 C ATOM 127 CE LYS A 8 -15.624 -9.725 -16.376 1.00 0.00 C ATOM 128 NZ LYS A 8 -16.979 -10.298 -16.147 1.00 0.00 N ATOM 0 H LYS A 8 -12.743 -5.948 -15.025 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.827 -7.635 -12.712 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.763 -7.285 -14.178 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.881 -7.920 -15.553 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.823 -9.877 -13.431 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.476 -9.345 -13.665 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.627 -10.332 -15.876 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.878 -11.290 -15.110 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.669 -8.640 -16.285 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.304 -9.946 -17.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.693 -9.546 -16.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.168 -11.036 -16.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.024 -10.713 -15.194 1.00 0.00 H new ATOM 142 N THR A 9 -10.800 -8.406 -15.134 1.00 0.00 N ATOM 143 CA THR A 9 -9.737 -9.320 -15.539 1.00 0.00 C ATOM 144 C THR A 9 -8.528 -9.183 -14.624 1.00 0.00 C ATOM 145 O THR A 9 -7.811 -10.153 -14.373 1.00 0.00 O ATOM 146 CB THR A 9 -9.315 -9.051 -16.983 1.00 0.00 C ATOM 147 OG1 THR A 9 -10.446 -8.865 -17.814 1.00 0.00 O ATOM 148 CG2 THR A 9 -8.485 -10.170 -17.575 1.00 0.00 C ATOM 0 H THR A 9 -10.859 -7.554 -15.692 1.00 0.00 H new ATOM 0 HA THR A 9 -10.126 -10.335 -15.464 1.00 0.00 H new ATOM 0 HB THR A 9 -8.707 -8.147 -16.945 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.152 -8.693 -18.733 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.216 -9.920 -18.601 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.578 -10.302 -16.985 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.062 -11.095 -17.566 1.00 0.00 H new ATOM 156 N ALA A 10 -8.300 -7.968 -14.135 1.00 0.00 N ATOM 157 CA ALA A 10 -7.172 -7.705 -13.255 1.00 0.00 C ATOM 158 C ALA A 10 -7.323 -8.470 -11.950 1.00 0.00 C ATOM 159 O ALA A 10 -6.352 -8.999 -11.414 1.00 0.00 O ATOM 160 CB ALA A 10 -7.042 -6.212 -12.987 1.00 0.00 C ATOM 0 H ALA A 10 -8.881 -7.154 -14.334 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.263 -8.047 -13.750 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.193 -6.033 -12.327 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.887 -5.685 -13.929 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.953 -5.847 -12.513 1.00 0.00 H new ATOM 166 N PHE A 11 -8.554 -8.551 -11.451 1.00 0.00 N ATOM 167 CA PHE A 11 -8.816 -9.269 -10.211 1.00 0.00 C ATOM 168 C PHE A 11 -8.353 -10.716 -10.339 1.00 0.00 C ATOM 169 O PHE A 11 -7.720 -11.259 -9.434 1.00 0.00 O ATOM 170 CB PHE A 11 -10.308 -9.201 -9.860 1.00 0.00 C ATOM 171 CG PHE A 11 -10.593 -9.463 -8.408 1.00 0.00 C ATOM 172 CD1 PHE A 11 -9.809 -8.883 -7.421 1.00 0.00 C ATOM 173 CD2 PHE A 11 -11.634 -10.292 -8.028 1.00 0.00 C ATOM 174 CE1 PHE A 11 -10.058 -9.127 -6.087 1.00 0.00 C ATOM 175 CE2 PHE A 11 -11.889 -10.538 -6.691 1.00 0.00 C ATOM 176 CZ PHE A 11 -11.097 -9.955 -5.720 1.00 0.00 C ATOM 0 H PHE A 11 -9.377 -8.132 -11.883 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.257 -8.798 -9.403 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.691 -8.216 -10.126 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.849 -9.928 -10.466 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.994 -8.232 -7.701 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.254 -10.752 -8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.439 -8.669 -5.330 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.706 -11.185 -6.406 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.292 -10.148 -4.675 1.00 0.00 H new ATOM 186 N GLN A 12 -8.642 -11.325 -11.486 1.00 0.00 N ATOM 187 CA GLN A 12 -8.220 -12.696 -11.739 1.00 0.00 C ATOM 188 C GLN A 12 -6.697 -12.756 -11.832 1.00 0.00 C ATOM 189 O GLN A 12 -6.065 -13.652 -11.274 1.00 0.00 O ATOM 190 CB GLN A 12 -8.852 -13.238 -13.025 1.00 0.00 C ATOM 191 CG GLN A 12 -10.344 -12.965 -13.135 1.00 0.00 C ATOM 192 CD GLN A 12 -11.184 -14.208 -12.908 1.00 0.00 C ATOM 193 OE1 GLN A 12 -12.111 -14.490 -13.668 1.00 0.00 O ATOM 194 NE2 GLN A 12 -10.867 -14.955 -11.857 1.00 0.00 N ATOM 0 H GLN A 12 -9.163 -10.893 -12.249 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.556 -13.320 -10.911 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.346 -12.795 -13.883 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.684 -14.314 -13.077 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.625 -12.204 -12.407 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.563 -12.558 -14.122 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.091 -14.683 -11.254 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.400 -15.800 -11.653 1.00 0.00 H new ATOM 203 N GLU A 13 -6.117 -11.791 -12.547 1.00 0.00 N ATOM 204 CA GLU A 13 -4.668 -11.726 -12.725 1.00 0.00 C ATOM 205 C GLU A 13 -3.945 -11.590 -11.387 1.00 0.00 C ATOM 206 O GLU A 13 -2.959 -12.284 -11.135 1.00 0.00 O ATOM 207 CB GLU A 13 -4.293 -10.556 -13.640 1.00 0.00 C ATOM 208 CG GLU A 13 -4.404 -10.881 -15.121 1.00 0.00 C ATOM 209 CD GLU A 13 -3.852 -9.779 -16.006 1.00 0.00 C ATOM 210 OE1 GLU A 13 -3.993 -8.593 -15.639 1.00 0.00 O ATOM 211 OE2 GLU A 13 -3.279 -10.101 -17.069 1.00 0.00 O ATOM 0 H GLU A 13 -6.631 -11.043 -13.013 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.352 -12.661 -13.188 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.938 -9.707 -13.414 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.271 -10.247 -13.420 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.869 -11.808 -15.326 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.450 -11.054 -15.373 1.00 0.00 H new ATOM 218 N ALA A 14 -4.436 -10.700 -10.527 1.00 0.00 N ATOM 219 CA ALA A 14 -3.823 -10.495 -9.218 1.00 0.00 C ATOM 220 C ALA A 14 -3.963 -11.744 -8.357 1.00 0.00 C ATOM 221 O ALA A 14 -3.098 -12.045 -7.535 1.00 0.00 O ATOM 222 CB ALA A 14 -4.447 -9.296 -8.518 1.00 0.00 C ATOM 0 H ALA A 14 -5.250 -10.114 -10.711 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.762 -10.296 -9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.978 -9.159 -7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.296 -8.402 -9.123 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.515 -9.468 -8.385 1.00 0.00 H new ATOM 228 N LEU A 15 -5.056 -12.471 -8.560 1.00 0.00 N ATOM 229 CA LEU A 15 -5.312 -13.695 -7.809 1.00 0.00 C ATOM 230 C LEU A 15 -4.304 -14.777 -8.189 1.00 0.00 C ATOM 231 O LEU A 15 -3.843 -15.546 -7.341 1.00 0.00 O ATOM 232 CB LEU A 15 -6.738 -14.184 -8.069 1.00 0.00 C ATOM 233 CG LEU A 15 -7.804 -13.589 -7.146 1.00 0.00 C ATOM 234 CD1 LEU A 15 -9.196 -13.915 -7.661 1.00 0.00 C ATOM 235 CD2 LEU A 15 -7.627 -14.101 -5.723 1.00 0.00 C ATOM 0 H LEU A 15 -5.780 -12.234 -9.239 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.202 -13.480 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.003 -13.953 -9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.758 -15.269 -7.970 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.685 -12.506 -7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.941 -13.484 -6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.321 -13.498 -8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.325 -14.997 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.394 -13.667 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.718 -15.187 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.642 -13.816 -5.354 1.00 0.00 H new ATOM 247 N ASP A 16 -3.953 -14.818 -9.472 1.00 0.00 N ATOM 248 CA ASP A 16 -2.991 -15.794 -9.969 1.00 0.00 C ATOM 249 C ASP A 16 -1.642 -15.600 -9.289 1.00 0.00 C ATOM 250 O ASP A 16 -0.918 -16.561 -9.028 1.00 0.00 O ATOM 251 CB ASP A 16 -2.838 -15.666 -11.487 1.00 0.00 C ATOM 252 CG ASP A 16 -4.045 -16.194 -12.238 1.00 0.00 C ATOM 253 OD1 ASP A 16 -4.604 -17.226 -11.812 1.00 0.00 O ATOM 254 OD2 ASP A 16 -4.431 -15.576 -13.253 1.00 0.00 O ATOM 0 H ASP A 16 -4.321 -14.187 -10.184 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.361 -16.793 -9.737 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.682 -14.619 -11.746 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.949 -16.209 -11.807 1.00 0.00 H new ATOM 259 N ALA A 17 -1.320 -14.346 -8.987 1.00 0.00 N ATOM 260 CA ALA A 17 -0.071 -14.019 -8.317 1.00 0.00 C ATOM 261 C ALA A 17 -0.146 -14.357 -6.829 1.00 0.00 C ATOM 262 O ALA A 17 0.877 -14.560 -6.176 1.00 0.00 O ATOM 263 CB ALA A 17 0.264 -12.549 -8.512 1.00 0.00 C ATOM 0 H ALA A 17 -1.909 -13.540 -9.197 1.00 0.00 H new ATOM 0 HA ALA A 17 0.722 -14.620 -8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.201 -12.319 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.366 -12.337 -9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.534 -11.935 -8.095 1.00 0.00 H new ATOM 269 N ALA A 18 -1.369 -14.422 -6.302 1.00 0.00 N ATOM 270 CA ALA A 18 -1.579 -14.738 -4.895 1.00 0.00 C ATOM 271 C ALA A 18 -1.184 -16.175 -4.592 1.00 0.00 C ATOM 272 O ALA A 18 -0.649 -16.458 -3.520 1.00 0.00 O ATOM 273 CB ALA A 18 -3.025 -14.489 -4.495 1.00 0.00 C ATOM 0 H ALA A 18 -2.226 -14.260 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.940 -14.079 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.158 -14.732 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.273 -13.440 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.682 -15.116 -5.097 1.00 0.00 H new ATOM 279 N GLY A 19 -1.428 -17.089 -5.533 1.00 0.00 N ATOM 280 CA GLY A 19 -1.063 -18.476 -5.318 1.00 0.00 C ATOM 281 C GLY A 19 -1.740 -19.089 -4.111 1.00 0.00 C ATOM 282 O GLY A 19 -2.968 -19.110 -4.020 1.00 0.00 O ATOM 0 H GLY A 19 -1.868 -16.893 -6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.321 -19.055 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.018 -18.546 -5.195 1.00 0.00 H new ATOM 286 N ASP A 20 -0.936 -19.593 -3.185 1.00 0.00 N ATOM 287 CA ASP A 20 -1.460 -20.215 -1.977 1.00 0.00 C ATOM 288 C ASP A 20 -1.524 -19.215 -0.826 1.00 0.00 C ATOM 289 O ASP A 20 -1.882 -19.575 0.295 1.00 0.00 O ATOM 290 CB ASP A 20 -0.594 -21.411 -1.579 1.00 0.00 C ATOM 291 CG ASP A 20 -0.867 -22.635 -2.431 1.00 0.00 C ATOM 292 OD1 ASP A 20 -1.806 -23.390 -2.101 1.00 0.00 O ATOM 293 OD2 ASP A 20 -0.140 -22.840 -3.426 1.00 0.00 O ATOM 0 H ASP A 20 0.082 -19.583 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.472 -20.559 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.458 -21.139 -1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.775 -21.654 -0.532 1.00 0.00 H new ATOM 298 N LYS A 21 -1.194 -17.957 -1.109 1.00 0.00 N ATOM 299 CA LYS A 21 -1.232 -16.918 -0.097 1.00 0.00 C ATOM 300 C LYS A 21 -2.666 -16.485 0.146 1.00 0.00 C ATOM 301 O LYS A 21 -3.493 -16.514 -0.765 1.00 0.00 O ATOM 302 CB LYS A 21 -0.401 -15.712 -0.538 1.00 0.00 C ATOM 303 CG LYS A 21 1.089 -15.995 -0.626 1.00 0.00 C ATOM 304 CD LYS A 21 1.727 -15.257 -1.792 1.00 0.00 C ATOM 305 CE LYS A 21 3.244 -15.313 -1.719 1.00 0.00 C ATOM 306 NZ LYS A 21 3.880 -14.444 -2.746 1.00 0.00 N ATOM 0 H LYS A 21 -0.898 -17.638 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.812 -17.318 0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.756 -15.374 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.565 -14.893 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.573 -15.696 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.251 -17.067 -0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.390 -15.696 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.399 -14.218 -1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.572 -15.002 -0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.577 -16.342 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.915 -14.510 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.588 -14.756 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.583 -13.458 -2.599 1.00 0.00 H new ATOM 320 N LEU A 22 -2.957 -16.060 1.363 1.00 0.00 N ATOM 321 CA LEU A 22 -4.294 -15.600 1.693 1.00 0.00 C ATOM 322 C LEU A 22 -4.491 -14.197 1.133 1.00 0.00 C ATOM 323 O LEU A 22 -3.622 -13.338 1.278 1.00 0.00 O ATOM 324 CB LEU A 22 -4.518 -15.618 3.209 1.00 0.00 C ATOM 325 CG LEU A 22 -5.819 -14.966 3.687 1.00 0.00 C ATOM 326 CD1 LEU A 22 -6.996 -15.411 2.827 1.00 0.00 C ATOM 327 CD2 LEU A 22 -6.073 -15.299 5.149 1.00 0.00 C ATOM 0 H LEU A 22 -2.290 -16.024 2.134 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.026 -16.272 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.504 -16.653 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.680 -15.113 3.689 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.715 -13.885 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.909 -14.935 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.819 -15.123 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.103 -16.494 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.001 -14.828 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.153 -16.380 5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.247 -14.928 5.756 1.00 0.00 H new ATOM 339 N VAL A 23 -5.613 -13.978 0.466 1.00 0.00 N ATOM 340 CA VAL A 23 -5.884 -12.685 -0.142 1.00 0.00 C ATOM 341 C VAL A 23 -7.036 -11.960 0.531 1.00 0.00 C ATOM 342 O VAL A 23 -8.200 -12.333 0.387 1.00 0.00 O ATOM 343 CB VAL A 23 -6.189 -12.828 -1.646 1.00 0.00 C ATOM 344 CG1 VAL A 23 -6.133 -11.472 -2.332 1.00 0.00 C ATOM 345 CG2 VAL A 23 -5.219 -13.800 -2.302 1.00 0.00 C ATOM 0 H VAL A 23 -6.347 -14.674 0.332 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.979 -12.092 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.197 -13.228 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.351 -11.592 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.870 -10.806 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.138 -11.044 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.452 -13.886 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.200 -13.433 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.309 -14.778 -1.830 1.00 0.00 H new ATOM 355 N VAL A 24 -6.703 -10.891 1.243 1.00 0.00 N ATOM 356 CA VAL A 24 -7.706 -10.080 1.902 1.00 0.00 C ATOM 357 C VAL A 24 -7.878 -8.800 1.107 1.00 0.00 C ATOM 358 O VAL A 24 -6.945 -8.013 0.962 1.00 0.00 O ATOM 359 CB VAL A 24 -7.342 -9.752 3.366 1.00 0.00 C ATOM 360 CG1 VAL A 24 -6.024 -8.997 3.447 1.00 0.00 C ATOM 361 CG2 VAL A 24 -8.460 -8.955 4.025 1.00 0.00 C ATOM 0 H VAL A 24 -5.744 -10.569 1.376 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.636 -10.647 1.937 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.222 -10.692 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.793 -8.779 4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.228 -9.607 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.105 -8.063 2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.188 -8.732 5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.613 -8.023 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.380 -9.539 4.011 1.00 0.00 H new ATOM 371 N VAL A 25 -9.068 -8.617 0.563 1.00 0.00 N ATOM 372 CA VAL A 25 -9.354 -7.453 -0.257 1.00 0.00 C ATOM 373 C VAL A 25 -10.531 -6.654 0.289 1.00 0.00 C ATOM 374 O VAL A 25 -11.265 -7.120 1.162 1.00 0.00 O ATOM 375 CB VAL A 25 -9.630 -7.875 -1.713 1.00 0.00 C ATOM 376 CG1 VAL A 25 -8.331 -8.179 -2.435 1.00 0.00 C ATOM 377 CG2 VAL A 25 -10.533 -9.091 -1.756 1.00 0.00 C ATOM 0 H VAL A 25 -9.852 -9.260 0.674 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.474 -6.810 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.130 -7.046 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.546 -8.475 -3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.700 -7.290 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.812 -8.990 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.715 -9.372 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.053 -9.919 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.481 -8.858 -1.271 1.00 0.00 H new ATOM 387 N ASP A 26 -10.702 -5.445 -0.226 1.00 0.00 N ATOM 388 CA ASP A 26 -11.783 -4.577 0.216 1.00 0.00 C ATOM 389 C ASP A 26 -12.517 -3.952 -0.962 1.00 0.00 C ATOM 390 O ASP A 26 -11.897 -3.412 -1.877 1.00 0.00 O ATOM 391 CB ASP A 26 -11.242 -3.479 1.130 1.00 0.00 C ATOM 392 CG ASP A 26 -12.350 -2.716 1.833 1.00 0.00 C ATOM 393 OD1 ASP A 26 -13.502 -2.771 1.356 1.00 0.00 O ATOM 394 OD2 ASP A 26 -12.063 -2.065 2.859 1.00 0.00 O ATOM 0 H ASP A 26 -10.106 -5.043 -0.950 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.493 -5.192 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.580 -3.922 1.874 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.641 -2.784 0.543 1.00 0.00 H new ATOM 399 N PHE A 27 -13.846 -3.994 -0.909 1.00 0.00 N ATOM 400 CA PHE A 27 -14.679 -3.404 -1.953 1.00 0.00 C ATOM 401 C PHE A 27 -15.145 -2.021 -1.507 1.00 0.00 C ATOM 402 O PHE A 27 -15.918 -1.899 -0.554 1.00 0.00 O ATOM 403 CB PHE A 27 -15.882 -4.300 -2.252 1.00 0.00 C ATOM 404 CG PHE A 27 -15.636 -5.220 -3.411 1.00 0.00 C ATOM 405 CD1 PHE A 27 -14.931 -6.401 -3.236 1.00 0.00 C ATOM 406 CD2 PHE A 27 -16.079 -4.890 -4.683 1.00 0.00 C ATOM 407 CE1 PHE A 27 -14.674 -7.237 -4.307 1.00 0.00 C ATOM 408 CE2 PHE A 27 -15.829 -5.724 -5.758 1.00 0.00 C ATOM 409 CZ PHE A 27 -15.125 -6.899 -5.570 1.00 0.00 C ATOM 0 H PHE A 27 -14.370 -4.432 -0.152 1.00 0.00 H new ATOM 0 HA PHE A 27 -14.092 -3.310 -2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -16.121 -4.890 -1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -16.751 -3.678 -2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.578 -6.671 -2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -16.626 -3.971 -4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -14.122 -8.153 -4.157 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.183 -5.458 -6.743 1.00 0.00 H new ATOM 0 HZ PHE A 27 -14.928 -7.552 -6.408 1.00 0.00 H new ATOM 419 N SER A 28 -14.653 -0.982 -2.173 1.00 0.00 N ATOM 420 CA SER A 28 -15.000 0.388 -1.810 1.00 0.00 C ATOM 421 C SER A 28 -15.706 1.126 -2.947 1.00 0.00 C ATOM 422 O SER A 28 -16.118 0.528 -3.941 1.00 0.00 O ATOM 423 CB SER A 28 -13.733 1.147 -1.408 1.00 0.00 C ATOM 424 OG SER A 28 -12.897 0.345 -0.591 1.00 0.00 O ATOM 0 H SER A 28 -14.015 -1.061 -2.965 1.00 0.00 H new ATOM 0 HA SER A 28 -15.694 0.342 -0.971 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.189 1.452 -2.302 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.004 2.057 -0.873 1.00 0.00 H new ATOM 0 HG SER A 28 -12.094 0.851 -0.349 1.00 0.00 H new ATOM 430 N ALA A 29 -15.822 2.440 -2.781 1.00 0.00 N ATOM 431 CA ALA A 29 -16.452 3.304 -3.772 1.00 0.00 C ATOM 432 C ALA A 29 -15.868 4.708 -3.686 1.00 0.00 C ATOM 433 O ALA A 29 -15.411 5.128 -2.622 1.00 0.00 O ATOM 434 CB ALA A 29 -17.964 3.337 -3.575 1.00 0.00 C ATOM 0 H ALA A 29 -15.482 2.935 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.250 2.902 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -18.414 3.987 -4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -18.367 2.329 -3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.193 3.718 -2.580 1.00 0.00 H new ATOM 440 N THR A 30 -15.918 5.452 -4.783 1.00 0.00 N ATOM 441 CA THR A 30 -15.420 6.823 -4.783 1.00 0.00 C ATOM 442 C THR A 30 -16.385 7.714 -4.010 1.00 0.00 C ATOM 443 O THR A 30 -15.981 8.658 -3.329 1.00 0.00 O ATOM 444 CB THR A 30 -15.260 7.340 -6.215 1.00 0.00 C ATOM 445 OG1 THR A 30 -16.119 6.646 -7.101 1.00 0.00 O ATOM 446 CG2 THR A 30 -13.848 7.207 -6.744 1.00 0.00 C ATOM 0 H THR A 30 -16.294 5.134 -5.676 1.00 0.00 H new ATOM 0 HA THR A 30 -14.442 6.843 -4.302 1.00 0.00 H new ATOM 0 HB THR A 30 -15.516 8.398 -6.169 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.002 6.993 -8.010 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.803 7.591 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.167 7.776 -6.111 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.555 6.157 -6.739 1.00 0.00 H new ATOM 454 N TRP A 31 -17.670 7.397 -4.144 1.00 0.00 N ATOM 455 CA TRP A 31 -18.742 8.147 -3.495 1.00 0.00 C ATOM 456 C TRP A 31 -19.027 7.636 -2.080 1.00 0.00 C ATOM 457 O TRP A 31 -20.028 8.014 -1.469 1.00 0.00 O ATOM 458 CB TRP A 31 -20.013 8.025 -4.341 1.00 0.00 C ATOM 459 CG TRP A 31 -20.538 6.621 -4.396 1.00 0.00 C ATOM 460 CD1 TRP A 31 -20.143 5.622 -5.243 1.00 0.00 C ATOM 461 CD2 TRP A 31 -21.546 6.057 -3.551 1.00 0.00 C ATOM 462 NE1 TRP A 31 -20.845 4.472 -4.968 1.00 0.00 N ATOM 463 CE2 TRP A 31 -21.712 4.716 -3.940 1.00 0.00 C ATOM 464 CE3 TRP A 31 -22.325 6.557 -2.505 1.00 0.00 C ATOM 465 CZ2 TRP A 31 -22.621 3.868 -3.316 1.00 0.00 C ATOM 466 CZ3 TRP A 31 -23.228 5.713 -1.888 1.00 0.00 C ATOM 467 CH2 TRP A 31 -23.369 4.382 -2.296 1.00 0.00 C ATOM 0 H TRP A 31 -17.998 6.612 -4.706 1.00 0.00 H new ATOM 0 HA TRP A 31 -18.426 9.187 -3.414 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -20.782 8.680 -3.931 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -19.805 8.371 -5.354 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -19.392 5.722 -6.013 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -20.736 3.581 -5.453 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -22.223 7.583 -2.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -22.731 2.840 -3.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -23.835 6.087 -1.077 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -24.085 3.748 -1.794 1.00 0.00 H new ATOM 478 N CYS A 32 -18.157 6.774 -1.561 1.00 0.00 N ATOM 479 CA CYS A 32 -18.340 6.227 -0.222 1.00 0.00 C ATOM 480 C CYS A 32 -17.629 7.071 0.827 1.00 0.00 C ATOM 481 O CYS A 32 -16.680 7.793 0.524 1.00 0.00 O ATOM 482 CB CYS A 32 -17.836 4.783 -0.160 1.00 0.00 C ATOM 483 SG CYS A 32 -18.400 3.861 1.305 1.00 0.00 S ATOM 0 H CYS A 32 -17.323 6.441 -2.045 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.408 6.243 -0.003 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -18.164 4.256 -1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -16.746 4.789 -0.175 1.00 0.00 H new ATOM 488 N GLY A 33 -18.094 6.962 2.068 1.00 0.00 N ATOM 489 CA GLY A 33 -17.493 7.709 3.155 1.00 0.00 C ATOM 490 C GLY A 33 -16.722 6.819 4.113 1.00 0.00 C ATOM 491 O GLY A 33 -15.505 6.953 4.238 1.00 0.00 O ATOM 0 H GLY A 33 -18.878 6.368 2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.822 8.464 2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.273 8.238 3.703 1.00 0.00 H new ATOM 495 N PRO A 34 -17.406 5.896 4.812 1.00 0.00 N ATOM 496 CA PRO A 34 -16.757 4.987 5.763 1.00 0.00 C ATOM 497 C PRO A 34 -15.767 4.045 5.084 1.00 0.00 C ATOM 498 O PRO A 34 -14.863 3.511 5.726 1.00 0.00 O ATOM 499 CB PRO A 34 -17.919 4.184 6.365 1.00 0.00 C ATOM 500 CG PRO A 34 -19.151 4.954 6.025 1.00 0.00 C ATOM 501 CD PRO A 34 -18.857 5.667 4.737 1.00 0.00 C ATOM 0 HA PRO A 34 -16.176 5.537 6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -17.958 3.177 5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -17.807 4.079 7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -20.008 4.289 5.915 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -19.397 5.663 6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -19.126 5.063 3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.410 6.603 4.658 1.00 0.00 H new ATOM 509 N CYS A 35 -15.950 3.839 3.782 1.00 0.00 N ATOM 510 CA CYS A 35 -15.078 2.956 3.017 1.00 0.00 C ATOM 511 C CYS A 35 -13.625 3.420 3.091 1.00 0.00 C ATOM 512 O CYS A 35 -12.711 2.610 3.238 1.00 0.00 O ATOM 513 CB CYS A 35 -15.533 2.901 1.559 1.00 0.00 C ATOM 514 SG CYS A 35 -17.207 2.219 1.327 1.00 0.00 S ATOM 0 H CYS A 35 -16.695 4.272 3.236 1.00 0.00 H new ATOM 0 HA CYS A 35 -15.142 1.958 3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.501 3.907 1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.825 2.298 0.991 1.00 0.00 H new ATOM 519 N LYS A 36 -13.425 4.728 2.997 1.00 0.00 N ATOM 520 CA LYS A 36 -12.088 5.311 3.061 1.00 0.00 C ATOM 521 C LYS A 36 -11.469 5.137 4.450 1.00 0.00 C ATOM 522 O LYS A 36 -10.264 5.315 4.627 1.00 0.00 O ATOM 523 CB LYS A 36 -12.140 6.797 2.693 1.00 0.00 C ATOM 524 CG LYS A 36 -11.976 7.059 1.203 1.00 0.00 C ATOM 525 CD LYS A 36 -13.309 7.360 0.539 1.00 0.00 C ATOM 526 CE LYS A 36 -13.855 8.709 0.975 1.00 0.00 C ATOM 527 NZ LYS A 36 -14.554 9.410 -0.137 1.00 0.00 N ATOM 0 H LYS A 36 -14.174 5.409 2.876 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.460 4.784 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.092 7.212 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.356 7.325 3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.296 7.898 1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.520 6.190 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.188 7.348 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.026 6.578 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.545 8.570 1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.038 9.331 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.612 10.426 0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.026 9.270 -1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.514 9.023 -0.242 1.00 0.00 H new ATOM 541 N MET A 37 -12.301 4.799 5.432 1.00 0.00 N ATOM 542 CA MET A 37 -11.834 4.616 6.803 1.00 0.00 C ATOM 543 C MET A 37 -10.995 3.347 6.952 1.00 0.00 C ATOM 544 O MET A 37 -10.136 3.267 7.831 1.00 0.00 O ATOM 545 CB MET A 37 -13.020 4.575 7.767 1.00 0.00 C ATOM 546 CG MET A 37 -13.924 5.792 7.663 1.00 0.00 C ATOM 547 SD MET A 37 -13.057 7.333 8.029 1.00 0.00 S ATOM 548 CE MET A 37 -14.037 7.958 9.392 1.00 0.00 C ATOM 0 H MET A 37 -13.301 4.646 5.304 1.00 0.00 H new ATOM 0 HA MET A 37 -11.198 5.467 7.048 1.00 0.00 H new ATOM 0 HB2 MET A 37 -13.607 3.678 7.571 1.00 0.00 H new ATOM 0 HB3 MET A 37 -12.646 4.495 8.788 1.00 0.00 H new ATOM 0 HG2 MET A 37 -14.342 5.845 6.658 1.00 0.00 H new ATOM 0 HG3 MET A 37 -14.761 5.678 8.351 1.00 0.00 H new ATOM 0 HE1 MET A 37 -13.625 8.909 9.730 1.00 0.00 H new ATOM 0 HE2 MET A 37 -15.066 8.104 9.063 1.00 0.00 H new ATOM 0 HE3 MET A 37 -14.017 7.241 10.213 1.00 0.00 H new ATOM 558 N ILE A 38 -11.238 2.358 6.096 1.00 0.00 N ATOM 559 CA ILE A 38 -10.496 1.099 6.158 1.00 0.00 C ATOM 560 C ILE A 38 -9.169 1.196 5.401 1.00 0.00 C ATOM 561 O ILE A 38 -8.236 0.442 5.671 1.00 0.00 O ATOM 562 CB ILE A 38 -11.313 -0.069 5.564 1.00 0.00 C ATOM 563 CG1 ILE A 38 -12.769 -0.021 6.046 1.00 0.00 C ATOM 564 CG2 ILE A 38 -10.673 -1.402 5.923 1.00 0.00 C ATOM 565 CD1 ILE A 38 -12.958 -0.444 7.490 1.00 0.00 C ATOM 0 H ILE A 38 -11.938 2.402 5.355 1.00 0.00 H new ATOM 0 HA ILE A 38 -10.302 0.907 7.213 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.314 0.034 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.148 0.994 5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.373 -0.666 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.261 -2.215 5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.660 -1.439 5.523 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.639 -1.509 7.007 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.014 -0.382 7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.612 -1.470 7.617 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.383 0.215 8.140 1.00 0.00 H new ATOM 577 N LYS A 39 -9.099 2.120 4.444 1.00 0.00 N ATOM 578 CA LYS A 39 -7.895 2.310 3.632 1.00 0.00 C ATOM 579 C LYS A 39 -6.622 2.409 4.475 1.00 0.00 C ATOM 580 O LYS A 39 -5.697 1.614 4.301 1.00 0.00 O ATOM 581 CB LYS A 39 -8.035 3.563 2.761 1.00 0.00 C ATOM 582 CG LYS A 39 -7.612 3.347 1.315 1.00 0.00 C ATOM 583 CD LYS A 39 -8.124 4.456 0.409 1.00 0.00 C ATOM 584 CE LYS A 39 -7.503 5.797 0.764 1.00 0.00 C ATOM 585 NZ LYS A 39 -8.036 6.898 -0.085 1.00 0.00 N ATOM 0 H LYS A 39 -9.865 2.752 4.210 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.799 1.426 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.073 3.896 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.434 4.364 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.525 3.302 1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.990 2.387 0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.898 4.213 -0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.209 4.523 0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.697 6.021 1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.421 5.739 0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.587 7.796 0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.828 6.698 -1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.065 6.971 0.047 1.00 0.00 H new ATOM 599 N PRO A 40 -6.539 3.391 5.392 1.00 0.00 N ATOM 600 CA PRO A 40 -5.354 3.579 6.235 1.00 0.00 C ATOM 601 C PRO A 40 -4.934 2.302 6.952 1.00 0.00 C ATOM 602 O PRO A 40 -3.748 1.978 7.013 1.00 0.00 O ATOM 603 CB PRO A 40 -5.782 4.653 7.249 1.00 0.00 C ATOM 604 CG PRO A 40 -7.260 4.792 7.091 1.00 0.00 C ATOM 605 CD PRO A 40 -7.569 4.400 5.675 1.00 0.00 C ATOM 0 HA PRO A 40 -4.486 3.866 5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.523 4.357 8.266 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.277 5.599 7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.789 4.151 7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.578 5.815 7.290 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.575 3.991 5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.503 5.249 4.995 1.00 0.00 H new ATOM 613 N PHE A 41 -5.903 1.596 7.523 1.00 0.00 N ATOM 614 CA PHE A 41 -5.618 0.376 8.275 1.00 0.00 C ATOM 615 C PHE A 41 -5.423 -0.834 7.361 1.00 0.00 C ATOM 616 O PHE A 41 -4.676 -1.752 7.700 1.00 0.00 O ATOM 617 CB PHE A 41 -6.754 0.092 9.257 1.00 0.00 C ATOM 618 CG PHE A 41 -7.242 1.312 9.986 1.00 0.00 C ATOM 619 CD1 PHE A 41 -6.438 1.950 10.916 1.00 0.00 C ATOM 620 CD2 PHE A 41 -8.506 1.822 9.738 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.885 3.075 11.583 1.00 0.00 C ATOM 622 CE2 PHE A 41 -8.958 2.945 10.403 1.00 0.00 C ATOM 623 CZ PHE A 41 -8.147 3.573 11.327 1.00 0.00 C ATOM 0 H PHE A 41 -6.891 1.845 7.481 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.686 0.540 8.815 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.588 -0.354 8.715 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.417 -0.645 9.986 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.451 1.564 11.122 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.145 1.336 9.016 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.247 3.564 12.304 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -9.946 3.332 10.200 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.499 4.451 11.848 1.00 0.00 H new ATOM 633 N PHE A 42 -6.080 -0.839 6.205 1.00 0.00 N ATOM 634 CA PHE A 42 -5.944 -1.953 5.271 1.00 0.00 C ATOM 635 C PHE A 42 -4.526 -2.009 4.717 1.00 0.00 C ATOM 636 O PHE A 42 -3.916 -3.075 4.639 1.00 0.00 O ATOM 637 CB PHE A 42 -6.942 -1.820 4.118 1.00 0.00 C ATOM 638 CG PHE A 42 -7.346 -3.136 3.512 1.00 0.00 C ATOM 639 CD1 PHE A 42 -8.162 -4.010 4.210 1.00 0.00 C ATOM 640 CD2 PHE A 42 -6.914 -3.497 2.243 1.00 0.00 C ATOM 641 CE1 PHE A 42 -8.543 -5.219 3.657 1.00 0.00 C ATOM 642 CE2 PHE A 42 -7.291 -4.705 1.685 1.00 0.00 C ATOM 643 CZ PHE A 42 -8.107 -5.566 2.393 1.00 0.00 C ATOM 0 H PHE A 42 -6.704 -0.095 5.895 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.155 -2.875 5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.834 -1.307 4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.505 -1.192 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.505 -3.744 5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.276 -2.827 1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.180 -5.891 4.213 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.948 -4.975 0.697 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.404 -6.509 1.959 1.00 0.00 H new ATOM 653 N HIS A 43 -4.017 -0.849 4.320 1.00 0.00 N ATOM 654 CA HIS A 43 -2.678 -0.753 3.755 1.00 0.00 C ATOM 655 C HIS A 43 -1.599 -1.065 4.791 1.00 0.00 C ATOM 656 O HIS A 43 -0.606 -1.721 4.476 1.00 0.00 O ATOM 657 CB HIS A 43 -2.457 0.638 3.158 1.00 0.00 C ATOM 658 CG HIS A 43 -1.958 0.602 1.748 1.00 0.00 C ATOM 659 ND1 HIS A 43 -2.742 0.865 0.645 1.00 0.00 N ATOM 660 CD2 HIS A 43 -0.722 0.315 1.268 1.00 0.00 C ATOM 661 CE1 HIS A 43 -1.974 0.731 -0.446 1.00 0.00 C ATOM 662 NE2 HIS A 43 -0.739 0.400 -0.123 1.00 0.00 N ATOM 0 H HIS A 43 -4.513 0.040 4.379 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.598 -1.500 2.965 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.394 1.193 3.191 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.742 1.182 3.776 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.139 0.061 1.869 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.322 0.875 -1.458 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.042 0.239 -0.759 1.00 0.00 H new ATOM 670 N SER A 44 -1.784 -0.593 6.023 1.00 0.00 N ATOM 671 CA SER A 44 -0.807 -0.834 7.082 1.00 0.00 C ATOM 672 C SER A 44 -0.660 -2.328 7.357 1.00 0.00 C ATOM 673 O SER A 44 0.453 -2.838 7.503 1.00 0.00 O ATOM 674 CB SER A 44 -1.221 -0.108 8.363 1.00 0.00 C ATOM 675 OG SER A 44 -1.135 1.298 8.204 1.00 0.00 O ATOM 0 H SER A 44 -2.595 -0.046 6.311 1.00 0.00 H new ATOM 0 HA SER A 44 0.155 -0.447 6.748 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.241 -0.385 8.628 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.581 -0.424 9.187 1.00 0.00 H new ATOM 0 HG SER A 44 -1.966 1.634 7.807 1.00 0.00 H new ATOM 681 N LEU A 45 -1.788 -3.026 7.423 1.00 0.00 N ATOM 682 CA LEU A 45 -1.773 -4.460 7.678 1.00 0.00 C ATOM 683 C LEU A 45 -0.978 -5.172 6.591 1.00 0.00 C ATOM 684 O LEU A 45 -0.214 -6.097 6.867 1.00 0.00 O ATOM 685 CB LEU A 45 -3.202 -5.008 7.725 1.00 0.00 C ATOM 686 CG LEU A 45 -4.039 -4.551 8.923 1.00 0.00 C ATOM 687 CD1 LEU A 45 -5.514 -4.492 8.552 1.00 0.00 C ATOM 688 CD2 LEU A 45 -3.824 -5.478 10.109 1.00 0.00 C ATOM 0 H LEU A 45 -2.718 -2.625 7.304 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.299 -4.639 8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.716 -4.714 6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.156 -6.097 7.729 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.715 -3.550 9.207 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.094 -4.165 9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.655 -3.787 7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.851 -5.481 8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.427 -5.138 10.951 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.120 -6.491 9.837 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.771 -5.471 10.390 1.00 0.00 H new ATOM 700 N SER A 46 -1.158 -4.722 5.355 1.00 0.00 N ATOM 701 CA SER A 46 -0.456 -5.296 4.214 1.00 0.00 C ATOM 702 C SER A 46 1.056 -5.287 4.427 1.00 0.00 C ATOM 703 O SER A 46 1.771 -6.130 3.887 1.00 0.00 O ATOM 704 CB SER A 46 -0.798 -4.511 2.947 1.00 0.00 C ATOM 705 OG SER A 46 -2.144 -4.069 2.966 1.00 0.00 O ATOM 0 H SER A 46 -1.788 -3.956 5.117 1.00 0.00 H new ATOM 0 HA SER A 46 -0.779 -6.332 4.108 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.132 -3.653 2.857 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.631 -5.138 2.071 1.00 0.00 H new ATOM 0 HG SER A 46 -2.686 -4.693 3.493 1.00 0.00 H new ATOM 711 N GLU A 47 1.543 -4.324 5.211 1.00 0.00 N ATOM 712 CA GLU A 47 2.975 -4.210 5.478 1.00 0.00 C ATOM 713 C GLU A 47 3.395 -5.060 6.673 1.00 0.00 C ATOM 714 O GLU A 47 4.572 -5.384 6.827 1.00 0.00 O ATOM 715 CB GLU A 47 3.357 -2.748 5.717 1.00 0.00 C ATOM 716 CG GLU A 47 3.779 -2.014 4.456 1.00 0.00 C ATOM 717 CD GLU A 47 2.599 -1.458 3.683 1.00 0.00 C ATOM 718 OE1 GLU A 47 2.114 -0.367 4.047 1.00 0.00 O ATOM 719 OE2 GLU A 47 2.162 -2.114 2.715 1.00 0.00 O ATOM 0 H GLU A 47 0.969 -3.616 5.669 1.00 0.00 H new ATOM 0 HA GLU A 47 3.503 -4.582 4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.509 -2.228 6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.172 -2.708 6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.451 -1.198 4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.341 -2.694 3.815 1.00 0.00 H new ATOM 726 N LYS A 48 2.433 -5.429 7.512 1.00 0.00 N ATOM 727 CA LYS A 48 2.727 -6.251 8.683 1.00 0.00 C ATOM 728 C LYS A 48 2.492 -7.723 8.367 1.00 0.00 C ATOM 729 O LYS A 48 3.022 -8.608 9.037 1.00 0.00 O ATOM 730 CB LYS A 48 1.852 -5.827 9.865 1.00 0.00 C ATOM 731 CG LYS A 48 2.195 -6.539 11.164 1.00 0.00 C ATOM 732 CD LYS A 48 1.079 -6.398 12.187 1.00 0.00 C ATOM 733 CE LYS A 48 0.166 -7.615 12.189 1.00 0.00 C ATOM 734 NZ LYS A 48 0.315 -8.420 13.434 1.00 0.00 N ATOM 0 H LYS A 48 1.451 -5.175 7.406 1.00 0.00 H new ATOM 0 HA LYS A 48 3.774 -6.108 8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.952 -4.752 10.013 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.807 -6.019 9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.376 -7.595 10.965 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.119 -6.129 11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.509 -6.263 13.179 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.495 -5.504 11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.870 -7.292 12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.391 -8.239 11.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.324 -9.240 13.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.298 -8.750 13.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.075 -7.832 14.258 1.00 0.00 H new ATOM 748 N TYR A 49 1.698 -7.973 7.330 1.00 0.00 N ATOM 749 CA TYR A 49 1.387 -9.331 6.907 1.00 0.00 C ATOM 750 C TYR A 49 2.279 -9.750 5.742 1.00 0.00 C ATOM 751 O TYR A 49 1.984 -9.451 4.585 1.00 0.00 O ATOM 752 CB TYR A 49 -0.081 -9.425 6.493 1.00 0.00 C ATOM 753 CG TYR A 49 -1.012 -9.715 7.646 1.00 0.00 C ATOM 754 CD1 TYR A 49 -1.425 -8.701 8.501 1.00 0.00 C ATOM 755 CD2 TYR A 49 -1.472 -11.005 7.887 1.00 0.00 C ATOM 756 CE1 TYR A 49 -2.270 -8.961 9.562 1.00 0.00 C ATOM 757 CE2 TYR A 49 -2.316 -11.274 8.948 1.00 0.00 C ATOM 758 CZ TYR A 49 -2.713 -10.249 9.782 1.00 0.00 C ATOM 759 OH TYR A 49 -3.553 -10.512 10.839 1.00 0.00 O ATOM 0 H TYR A 49 1.257 -7.247 6.765 1.00 0.00 H new ATOM 0 HA TYR A 49 1.570 -10.003 7.745 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.379 -8.488 6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.190 -10.208 5.742 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.079 -7.692 8.333 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.165 -11.809 7.235 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.582 -8.160 10.216 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.663 -12.282 9.123 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.772 -11.467 10.853 1.00 0.00 H new ATOM 769 N SER A 50 3.367 -10.447 6.054 1.00 0.00 N ATOM 770 CA SER A 50 4.297 -10.912 5.031 1.00 0.00 C ATOM 771 C SER A 50 3.915 -12.314 4.569 1.00 0.00 C ATOM 772 O SER A 50 4.759 -13.208 4.485 1.00 0.00 O ATOM 773 CB SER A 50 5.727 -10.906 5.573 1.00 0.00 C ATOM 774 OG SER A 50 6.655 -10.544 4.565 1.00 0.00 O ATOM 0 H SER A 50 3.626 -10.702 7.007 1.00 0.00 H new ATOM 0 HA SER A 50 4.244 -10.236 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.800 -10.207 6.406 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.975 -11.893 5.962 1.00 0.00 H new ATOM 0 HG SER A 50 7.561 -10.546 4.938 1.00 0.00 H new ATOM 780 N ASN A 51 2.635 -12.495 4.273 1.00 0.00 N ATOM 781 CA ASN A 51 2.124 -13.780 3.819 1.00 0.00 C ATOM 782 C ASN A 51 0.886 -13.594 2.948 1.00 0.00 C ATOM 783 O ASN A 51 0.726 -14.255 1.921 1.00 0.00 O ATOM 784 CB ASN A 51 1.788 -14.662 5.024 1.00 0.00 C ATOM 785 CG ASN A 51 1.515 -16.099 4.633 1.00 0.00 C ATOM 786 OD1 ASN A 51 0.999 -16.374 3.550 1.00 0.00 O ATOM 787 ND2 ASN A 51 1.868 -17.029 5.513 1.00 0.00 N ATOM 0 H ASN A 51 1.928 -11.763 4.340 1.00 0.00 H new ATOM 0 HA ASN A 51 2.895 -14.266 3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.615 -14.633 5.733 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.915 -14.256 5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.714 -18.015 5.302 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.293 -16.757 6.399 1.00 0.00 H new ATOM 794 N VAL A 52 0.007 -12.693 3.378 1.00 0.00 N ATOM 795 CA VAL A 52 -1.232 -12.417 2.660 1.00 0.00 C ATOM 796 C VAL A 52 -1.073 -11.251 1.697 1.00 0.00 C ATOM 797 O VAL A 52 -0.238 -10.372 1.898 1.00 0.00 O ATOM 798 CB VAL A 52 -2.377 -12.085 3.636 1.00 0.00 C ATOM 799 CG1 VAL A 52 -2.499 -13.160 4.697 1.00 0.00 C ATOM 800 CG2 VAL A 52 -2.163 -10.723 4.283 1.00 0.00 C ATOM 0 H VAL A 52 0.132 -12.139 4.225 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.472 -13.320 2.099 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.306 -12.050 3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.313 -12.909 5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.706 -14.119 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.566 -13.227 5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.985 -10.512 4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.223 -10.726 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.128 -9.955 3.511 1.00 0.00 H new ATOM 810 N ILE A 53 -1.891 -11.250 0.653 1.00 0.00 N ATOM 811 CA ILE A 53 -1.854 -10.190 -0.340 1.00 0.00 C ATOM 812 C ILE A 53 -3.050 -9.258 -0.180 1.00 0.00 C ATOM 813 O ILE A 53 -4.200 -9.655 -0.379 1.00 0.00 O ATOM 814 CB ILE A 53 -1.791 -10.768 -1.780 1.00 0.00 C ATOM 815 CG1 ILE A 53 -1.158 -9.753 -2.727 1.00 0.00 C ATOM 816 CG2 ILE A 53 -3.163 -11.191 -2.287 1.00 0.00 C ATOM 817 CD1 ILE A 53 0.348 -9.667 -2.595 1.00 0.00 C ATOM 0 H ILE A 53 -2.588 -11.973 0.474 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.945 -9.611 -0.176 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.170 -11.663 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.411 -10.018 -3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.589 -8.770 -2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.071 -11.589 -3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.573 -11.959 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.829 -10.328 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.733 -8.927 -3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.608 -9.373 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.789 -10.639 -2.815 1.00 0.00 H new ATOM 829 N PHE A 54 -2.765 -8.015 0.193 1.00 0.00 N ATOM 830 CA PHE A 54 -3.799 -7.008 0.398 1.00 0.00 C ATOM 831 C PHE A 54 -3.974 -6.190 -0.876 1.00 0.00 C ATOM 832 O PHE A 54 -3.057 -5.475 -1.274 1.00 0.00 O ATOM 833 CB PHE A 54 -3.374 -6.037 1.510 1.00 0.00 C ATOM 834 CG PHE A 54 -3.741 -6.419 2.923 1.00 0.00 C ATOM 835 CD1 PHE A 54 -3.218 -7.549 3.543 1.00 0.00 C ATOM 836 CD2 PHE A 54 -4.596 -5.603 3.649 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.550 -7.849 4.855 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.931 -5.902 4.953 1.00 0.00 C ATOM 839 CZ PHE A 54 -4.408 -7.025 5.558 1.00 0.00 C ATOM 0 H PHE A 54 -1.817 -7.679 0.361 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.725 -7.516 0.667 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.292 -5.917 1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.813 -5.063 1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.548 -8.198 2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.006 -4.718 3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.138 -8.728 5.328 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.603 -5.257 5.500 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.668 -7.260 6.579 1.00 0.00 H new ATOM 849 N LEU A 55 -5.144 -6.254 -1.504 1.00 0.00 N ATOM 850 CA LEU A 55 -5.365 -5.466 -2.707 1.00 0.00 C ATOM 851 C LEU A 55 -6.648 -4.661 -2.617 1.00 0.00 C ATOM 852 O LEU A 55 -7.455 -4.847 -1.706 1.00 0.00 O ATOM 853 CB LEU A 55 -5.307 -6.324 -3.974 1.00 0.00 C ATOM 854 CG LEU A 55 -6.633 -6.704 -4.633 1.00 0.00 C ATOM 855 CD1 LEU A 55 -6.882 -5.828 -5.852 1.00 0.00 C ATOM 856 CD2 LEU A 55 -6.612 -8.170 -5.038 1.00 0.00 C ATOM 0 H LEU A 55 -5.934 -6.828 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.545 -4.752 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.705 -5.793 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.776 -7.245 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.440 -6.547 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.829 -6.107 -6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.922 -4.782 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.074 -5.966 -6.570 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.561 -8.432 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.799 -8.341 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.461 -8.790 -4.154 1.00 0.00 H new ATOM 868 N GLU A 56 -6.793 -3.716 -3.532 1.00 0.00 N ATOM 869 CA GLU A 56 -7.933 -2.819 -3.519 1.00 0.00 C ATOM 870 C GLU A 56 -8.816 -2.935 -4.751 1.00 0.00 C ATOM 871 O GLU A 56 -8.379 -2.667 -5.869 1.00 0.00 O ATOM 872 CB GLU A 56 -7.398 -1.400 -3.439 1.00 0.00 C ATOM 873 CG GLU A 56 -8.158 -0.493 -2.488 1.00 0.00 C ATOM 874 CD GLU A 56 -7.711 -0.657 -1.049 1.00 0.00 C ATOM 875 OE1 GLU A 56 -6.546 -0.322 -0.748 1.00 0.00 O ATOM 876 OE2 GLU A 56 -8.525 -1.120 -0.223 1.00 0.00 O ATOM 0 H GLU A 56 -6.134 -3.552 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.554 -3.086 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.353 -1.436 -3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.420 -0.960 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.020 0.545 -2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.224 -0.707 -2.561 1.00 0.00 H new ATOM 883 N VAL A 57 -10.074 -3.301 -4.540 1.00 0.00 N ATOM 884 CA VAL A 57 -11.015 -3.407 -5.643 1.00 0.00 C ATOM 885 C VAL A 57 -12.132 -2.384 -5.500 1.00 0.00 C ATOM 886 O VAL A 57 -12.887 -2.397 -4.533 1.00 0.00 O ATOM 887 CB VAL A 57 -11.642 -4.807 -5.754 1.00 0.00 C ATOM 888 CG1 VAL A 57 -12.144 -5.025 -7.169 1.00 0.00 C ATOM 889 CG2 VAL A 57 -10.647 -5.890 -5.363 1.00 0.00 C ATOM 0 H VAL A 57 -10.462 -3.527 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.441 -3.215 -6.549 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.481 -4.870 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.589 -6.017 -7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.894 -4.271 -7.409 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.311 -4.944 -7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.120 -6.868 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.781 -5.844 -6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.326 -5.734 -4.333 1.00 0.00 H new ATOM 899 N ASP A 58 -12.226 -1.491 -6.473 1.00 0.00 N ATOM 900 CA ASP A 58 -13.250 -0.461 -6.465 1.00 0.00 C ATOM 901 C ASP A 58 -14.397 -0.884 -7.372 1.00 0.00 C ATOM 902 O ASP A 58 -14.197 -1.137 -8.558 1.00 0.00 O ATOM 903 CB ASP A 58 -12.661 0.868 -6.929 1.00 0.00 C ATOM 904 CG ASP A 58 -13.684 1.986 -6.937 1.00 0.00 C ATOM 905 OD1 ASP A 58 -14.700 1.866 -6.221 1.00 0.00 O ATOM 906 OD2 ASP A 58 -13.467 2.986 -7.655 1.00 0.00 O ATOM 0 H ASP A 58 -11.603 -1.460 -7.280 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.628 -0.331 -5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.833 1.142 -6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.250 0.749 -7.931 1.00 0.00 H new ATOM 911 N VAL A 59 -15.589 -0.998 -6.802 1.00 0.00 N ATOM 912 CA VAL A 59 -16.750 -1.431 -7.562 1.00 0.00 C ATOM 913 C VAL A 59 -17.072 -0.475 -8.708 1.00 0.00 C ATOM 914 O VAL A 59 -17.776 -0.842 -9.649 1.00 0.00 O ATOM 915 CB VAL A 59 -17.987 -1.589 -6.655 1.00 0.00 C ATOM 916 CG1 VAL A 59 -18.407 -0.246 -6.075 1.00 0.00 C ATOM 917 CG2 VAL A 59 -19.134 -2.231 -7.420 1.00 0.00 C ATOM 0 H VAL A 59 -15.775 -0.797 -5.820 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.497 -2.402 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.721 -2.246 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -19.281 -0.382 -5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -17.589 0.167 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -18.652 0.440 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.997 -2.334 -6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.399 -1.605 -8.272 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.829 -3.215 -7.775 1.00 0.00 H new ATOM 927 N ASP A 60 -16.549 0.745 -8.638 1.00 0.00 N ATOM 928 CA ASP A 60 -16.780 1.722 -9.692 1.00 0.00 C ATOM 929 C ASP A 60 -16.075 1.280 -10.970 1.00 0.00 C ATOM 930 O ASP A 60 -16.594 1.449 -12.073 1.00 0.00 O ATOM 931 CB ASP A 60 -16.280 3.104 -9.265 1.00 0.00 C ATOM 932 CG ASP A 60 -17.057 4.233 -9.918 1.00 0.00 C ATOM 933 OD1 ASP A 60 -18.304 4.204 -9.866 1.00 0.00 O ATOM 934 OD2 ASP A 60 -16.417 5.146 -10.481 1.00 0.00 O ATOM 0 H ASP A 60 -15.967 1.077 -7.869 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.852 1.788 -9.879 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.356 3.195 -8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -15.225 3.199 -9.520 1.00 0.00 H new ATOM 939 N ASP A 61 -14.891 0.699 -10.802 1.00 0.00 N ATOM 940 CA ASP A 61 -14.102 0.210 -11.929 1.00 0.00 C ATOM 941 C ASP A 61 -14.291 -1.293 -12.099 1.00 0.00 C ATOM 942 O ASP A 61 -14.292 -1.813 -13.215 1.00 0.00 O ATOM 943 CB ASP A 61 -12.623 0.532 -11.720 1.00 0.00 C ATOM 944 CG ASP A 61 -12.374 2.017 -11.544 1.00 0.00 C ATOM 945 OD1 ASP A 61 -12.463 2.757 -12.546 1.00 0.00 O ATOM 946 OD2 ASP A 61 -12.093 2.441 -10.404 1.00 0.00 O ATOM 0 H ASP A 61 -14.455 0.555 -9.891 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.447 0.710 -12.834 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.258 -0.001 -10.842 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.051 0.169 -12.574 1.00 0.00 H new ATOM 951 N ALA A 62 -14.453 -1.981 -10.975 1.00 0.00 N ATOM 952 CA ALA A 62 -14.653 -3.421 -10.978 1.00 0.00 C ATOM 953 C ALA A 62 -16.141 -3.743 -10.919 1.00 0.00 C ATOM 954 O ALA A 62 -16.584 -4.563 -10.113 1.00 0.00 O ATOM 955 CB ALA A 62 -13.915 -4.055 -9.808 1.00 0.00 C ATOM 0 H ALA A 62 -14.449 -1.560 -10.046 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.249 -3.835 -11.902 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.072 -5.134 -9.820 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.849 -3.842 -9.892 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.295 -3.644 -8.873 1.00 0.00 H new ATOM 961 N GLN A 63 -16.907 -3.068 -11.769 1.00 0.00 N ATOM 962 CA GLN A 63 -18.352 -3.251 -11.820 1.00 0.00 C ATOM 963 C GLN A 63 -18.738 -4.629 -12.357 1.00 0.00 C ATOM 964 O GLN A 63 -19.909 -5.002 -12.318 1.00 0.00 O ATOM 965 CB GLN A 63 -18.987 -2.158 -12.683 1.00 0.00 C ATOM 966 CG GLN A 63 -20.478 -1.979 -12.447 1.00 0.00 C ATOM 967 CD GLN A 63 -20.811 -1.745 -10.987 1.00 0.00 C ATOM 968 OE1 GLN A 63 -21.453 -2.576 -10.344 1.00 0.00 O ATOM 969 NE2 GLN A 63 -20.383 -0.604 -10.457 1.00 0.00 N ATOM 0 H GLN A 63 -16.548 -2.385 -12.436 1.00 0.00 H new ATOM 0 HA GLN A 63 -18.728 -3.179 -10.799 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -18.481 -1.213 -12.486 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -18.821 -2.395 -13.734 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -20.837 -1.136 -13.038 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -21.007 -2.864 -12.800 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -19.854 0.056 -11.027 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -20.583 -0.388 -9.480 1.00 0.00 H new ATOM 978 N ASP A 64 -17.764 -5.385 -12.862 1.00 0.00 N ATOM 979 CA ASP A 64 -18.048 -6.712 -13.401 1.00 0.00 C ATOM 980 C ASP A 64 -17.754 -7.804 -12.378 1.00 0.00 C ATOM 981 O ASP A 64 -18.334 -8.888 -12.443 1.00 0.00 O ATOM 982 CB ASP A 64 -17.242 -6.967 -14.678 1.00 0.00 C ATOM 983 CG ASP A 64 -18.065 -6.735 -15.930 1.00 0.00 C ATOM 984 OD1 ASP A 64 -18.143 -5.574 -16.382 1.00 0.00 O ATOM 985 OD2 ASP A 64 -18.633 -7.715 -16.456 1.00 0.00 O ATOM 0 H ASP A 64 -16.784 -5.105 -12.909 1.00 0.00 H new ATOM 0 HA ASP A 64 -19.111 -6.742 -13.641 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -16.370 -6.313 -14.692 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -16.872 -7.992 -14.673 1.00 0.00 H new ATOM 990 N VAL A 65 -16.862 -7.526 -11.432 1.00 0.00 N ATOM 991 CA VAL A 65 -16.530 -8.515 -10.417 1.00 0.00 C ATOM 992 C VAL A 65 -17.624 -8.597 -9.356 1.00 0.00 C ATOM 993 O VAL A 65 -18.062 -9.692 -9.003 1.00 0.00 O ATOM 994 CB VAL A 65 -15.153 -8.262 -9.754 1.00 0.00 C ATOM 995 CG1 VAL A 65 -14.028 -8.631 -10.712 1.00 0.00 C ATOM 996 CG2 VAL A 65 -15.008 -6.822 -9.298 1.00 0.00 C ATOM 0 H VAL A 65 -16.365 -6.639 -11.348 1.00 0.00 H new ATOM 0 HA VAL A 65 -16.462 -9.472 -10.934 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.089 -8.897 -8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.067 -8.448 -10.232 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -14.106 -9.686 -10.976 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.105 -8.024 -11.614 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.030 -6.683 -8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -15.103 -6.157 -10.156 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -15.787 -6.590 -8.571 1.00 0.00 H new ATOM 1006 N ALA A 66 -18.059 -7.450 -8.823 1.00 0.00 N ATOM 1007 CA ALA A 66 -19.089 -7.440 -7.784 1.00 0.00 C ATOM 1008 C ALA A 66 -20.311 -8.277 -8.168 1.00 0.00 C ATOM 1009 O ALA A 66 -20.642 -9.244 -7.483 1.00 0.00 O ATOM 1010 CB ALA A 66 -19.518 -6.006 -7.525 1.00 0.00 C ATOM 0 H ALA A 66 -17.717 -6.527 -9.092 1.00 0.00 H new ATOM 0 HA ALA A 66 -18.660 -7.884 -6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.286 -5.990 -6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -18.658 -5.423 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.918 -5.575 -8.443 1.00 0.00 H new ATOM 1016 N PRO A 67 -20.994 -7.929 -9.272 1.00 0.00 N ATOM 1017 CA PRO A 67 -22.169 -8.671 -9.740 1.00 0.00 C ATOM 1018 C PRO A 67 -21.907 -10.172 -9.797 1.00 0.00 C ATOM 1019 O PRO A 67 -22.823 -10.981 -9.647 1.00 0.00 O ATOM 1020 CB PRO A 67 -22.422 -8.116 -11.152 1.00 0.00 C ATOM 1021 CG PRO A 67 -21.240 -7.254 -11.465 1.00 0.00 C ATOM 1022 CD PRO A 67 -20.697 -6.793 -10.150 1.00 0.00 C ATOM 0 HA PRO A 67 -23.020 -8.547 -9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -22.522 -8.923 -11.878 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -23.347 -7.540 -11.187 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -20.488 -7.813 -12.022 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -21.531 -6.406 -12.085 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -19.628 -6.588 -10.201 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -21.181 -5.878 -9.809 1.00 0.00 H new ATOM 1030 N LYS A 68 -20.645 -10.532 -10.002 1.00 0.00 N ATOM 1031 CA LYS A 68 -20.250 -11.932 -10.068 1.00 0.00 C ATOM 1032 C LYS A 68 -20.266 -12.569 -8.681 1.00 0.00 C ATOM 1033 O LYS A 68 -20.469 -13.775 -8.547 1.00 0.00 O ATOM 1034 CB LYS A 68 -18.855 -12.067 -10.682 1.00 0.00 C ATOM 1035 CG LYS A 68 -18.724 -13.247 -11.631 1.00 0.00 C ATOM 1036 CD LYS A 68 -17.853 -12.906 -12.831 1.00 0.00 C ATOM 1037 CE LYS A 68 -17.529 -14.142 -13.654 1.00 0.00 C ATOM 1038 NZ LYS A 68 -18.756 -14.770 -14.216 1.00 0.00 N ATOM 0 H LYS A 68 -19.878 -9.872 -10.125 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.970 -12.453 -10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.612 -11.150 -11.219 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.122 -12.171 -9.882 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.296 -14.097 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.713 -13.551 -11.973 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -18.364 -12.175 -13.457 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.928 -12.442 -12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.855 -13.871 -14.466 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.003 -14.866 -13.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.488 -15.548 -14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.341 -15.143 -13.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.298 -14.059 -14.748 1.00 0.00 H new ATOM 1052 N TYR A 69 -20.050 -11.751 -7.649 1.00 0.00 N ATOM 1053 CA TYR A 69 -20.029 -12.229 -6.262 1.00 0.00 C ATOM 1054 C TYR A 69 -21.260 -11.761 -5.486 1.00 0.00 C ATOM 1055 O TYR A 69 -21.478 -12.164 -4.344 1.00 0.00 O ATOM 1056 CB TYR A 69 -18.782 -11.702 -5.561 1.00 0.00 C ATOM 1057 CG TYR A 69 -17.486 -12.257 -6.108 1.00 0.00 C ATOM 1058 CD1 TYR A 69 -17.228 -13.622 -6.093 1.00 0.00 C ATOM 1059 CD2 TYR A 69 -16.524 -11.413 -6.648 1.00 0.00 C ATOM 1060 CE1 TYR A 69 -16.047 -14.129 -6.602 1.00 0.00 C ATOM 1061 CE2 TYR A 69 -15.341 -11.911 -7.158 1.00 0.00 C ATOM 1062 CZ TYR A 69 -15.107 -13.270 -7.133 1.00 0.00 C ATOM 1063 OH TYR A 69 -13.930 -13.771 -7.640 1.00 0.00 O ATOM 0 H TYR A 69 -19.886 -10.749 -7.747 1.00 0.00 H new ATOM 0 HA TYR A 69 -20.027 -13.319 -6.287 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.763 -10.615 -5.644 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -18.847 -11.940 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -17.961 -14.297 -5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -16.704 -10.348 -6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -15.861 -15.193 -6.584 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.604 -11.240 -7.574 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.240 -13.751 -6.945 1.00 0.00 H new ATOM 1073 N GLY A 70 -22.059 -10.918 -6.121 1.00 0.00 N ATOM 1074 CA GLY A 70 -23.264 -10.409 -5.490 1.00 0.00 C ATOM 1075 C GLY A 70 -22.980 -9.550 -4.269 1.00 0.00 C ATOM 1076 O GLY A 70 -23.693 -9.636 -3.269 1.00 0.00 O ATOM 0 H GLY A 70 -21.896 -10.574 -7.067 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -23.827 -9.823 -6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.896 -11.248 -5.198 1.00 0.00 H new ATOM 1080 N ILE A 71 -21.948 -8.712 -4.346 1.00 0.00 N ATOM 1081 CA ILE A 71 -21.595 -7.832 -3.233 1.00 0.00 C ATOM 1082 C ILE A 71 -22.530 -6.627 -3.176 1.00 0.00 C ATOM 1083 O ILE A 71 -22.197 -5.549 -3.670 1.00 0.00 O ATOM 1084 CB ILE A 71 -20.139 -7.332 -3.344 1.00 0.00 C ATOM 1085 CG1 ILE A 71 -19.175 -8.514 -3.454 1.00 0.00 C ATOM 1086 CG2 ILE A 71 -19.783 -6.465 -2.143 1.00 0.00 C ATOM 1087 CD1 ILE A 71 -17.775 -8.114 -3.868 1.00 0.00 C ATOM 0 H ILE A 71 -21.344 -8.624 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 71 -21.697 -8.419 -2.320 1.00 0.00 H new ATOM 0 HB ILE A 71 -20.048 -6.728 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -19.129 -9.026 -2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -19.569 -9.228 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -18.753 -6.120 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.452 -5.605 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -19.889 -7.049 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -17.145 -9.002 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -17.809 -7.629 -4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -17.362 -7.423 -3.133 1.00 0.00 H new ATOM 1099 N ARG A 72 -23.710 -6.819 -2.596 1.00 0.00 N ATOM 1100 CA ARG A 72 -24.696 -5.747 -2.507 1.00 0.00 C ATOM 1101 C ARG A 72 -24.489 -4.884 -1.261 1.00 0.00 C ATOM 1102 O ARG A 72 -25.207 -5.021 -0.270 1.00 0.00 O ATOM 1103 CB ARG A 72 -26.107 -6.337 -2.507 1.00 0.00 C ATOM 1104 CG ARG A 72 -27.205 -5.302 -2.690 1.00 0.00 C ATOM 1105 CD ARG A 72 -28.583 -5.945 -2.683 1.00 0.00 C ATOM 1106 NE ARG A 72 -29.063 -6.184 -1.325 1.00 0.00 N ATOM 1107 CZ ARG A 72 -30.210 -6.798 -1.040 1.00 0.00 C ATOM 1108 NH1 ARG A 72 -30.987 -7.249 -2.015 1.00 0.00 N ATOM 1109 NH2 ARG A 72 -30.575 -6.965 0.225 1.00 0.00 N ATOM 0 H ARG A 72 -24.007 -7.703 -2.182 1.00 0.00 H new ATOM 0 HA ARG A 72 -24.567 -5.104 -3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.181 -7.077 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -26.270 -6.864 -1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -27.144 -4.561 -1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -27.054 -4.772 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -29.287 -5.301 -3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.546 -6.889 -3.227 1.00 0.00 H new ATOM 0 HE ARG A 72 -28.486 -5.862 -0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.707 -7.126 -2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -31.865 -7.719 -1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -29.977 -6.623 0.978 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -31.453 -7.435 0.445 1.00 0.00 H new ATOM 1123 N GLY A 73 -23.508 -3.987 -1.332 1.00 0.00 N ATOM 1124 CA GLY A 73 -23.229 -3.101 -0.212 1.00 0.00 C ATOM 1125 C GLY A 73 -21.749 -2.822 -0.018 1.00 0.00 C ATOM 1126 O GLY A 73 -20.898 -3.526 -0.559 1.00 0.00 O ATOM 0 H GLY A 73 -22.902 -3.857 -2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -23.752 -2.157 -0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -23.630 -3.543 0.700 1.00 0.00 H new ATOM 1130 N ILE A 74 -21.449 -1.782 0.763 1.00 0.00 N ATOM 1131 CA ILE A 74 -20.068 -1.391 1.042 1.00 0.00 C ATOM 1132 C ILE A 74 -19.950 -0.766 2.434 1.00 0.00 C ATOM 1133 O ILE A 74 -20.932 -0.244 2.961 1.00 0.00 O ATOM 1134 CB ILE A 74 -19.555 -0.382 -0.003 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -20.525 0.793 -0.129 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -19.367 -1.064 -1.350 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -20.061 1.859 -1.096 1.00 0.00 C ATOM 0 H ILE A 74 -22.149 -1.194 1.215 1.00 0.00 H new ATOM 0 HA ILE A 74 -19.461 -2.295 0.996 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.590 0.001 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -21.496 0.419 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -20.668 1.243 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.004 -0.338 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.642 -1.872 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -20.320 -1.471 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -20.798 2.661 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -19.104 2.261 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -19.946 1.424 -2.089 1.00 0.00 H new ATOM 1149 N PRO A 75 -18.753 -0.801 3.060 1.00 0.00 N ATOM 1150 CA PRO A 75 -17.542 -1.405 2.491 1.00 0.00 C ATOM 1151 C PRO A 75 -17.458 -2.906 2.749 1.00 0.00 C ATOM 1152 O PRO A 75 -17.374 -3.342 3.898 1.00 0.00 O ATOM 1153 CB PRO A 75 -16.430 -0.692 3.258 1.00 0.00 C ATOM 1154 CG PRO A 75 -17.016 -0.446 4.606 1.00 0.00 C ATOM 1155 CD PRO A 75 -18.494 -0.228 4.395 1.00 0.00 C ATOM 0 HA PRO A 75 -17.499 -1.297 1.407 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -15.532 -1.306 3.320 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -16.145 0.241 2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -16.839 -1.294 5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -16.558 0.425 5.075 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -19.085 -0.726 5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -18.750 0.831 4.431 1.00 0.00 H new ATOM 1163 N THR A 76 -17.474 -3.696 1.683 1.00 0.00 N ATOM 1164 CA THR A 76 -17.388 -5.144 1.813 1.00 0.00 C ATOM 1165 C THR A 76 -15.940 -5.626 1.856 1.00 0.00 C ATOM 1166 O THR A 76 -15.104 -5.187 1.067 1.00 0.00 O ATOM 1167 CB THR A 76 -18.125 -5.832 0.662 1.00 0.00 C ATOM 1168 OG1 THR A 76 -18.998 -4.927 0.014 1.00 0.00 O ATOM 1169 CG2 THR A 76 -18.944 -7.024 1.107 1.00 0.00 C ATOM 0 H THR A 76 -17.545 -3.360 0.723 1.00 0.00 H new ATOM 0 HA THR A 76 -17.862 -5.410 2.758 1.00 0.00 H new ATOM 0 HB THR A 76 -17.345 -6.180 -0.016 1.00 0.00 H new ATOM 0 HG1 THR A 76 -19.875 -4.949 0.451 1.00 0.00 H new ATOM 0 HG21 THR A 76 -19.441 -7.467 0.244 1.00 0.00 H new ATOM 0 HG22 THR A 76 -18.289 -7.764 1.567 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.692 -6.701 1.831 1.00 0.00 H new ATOM 1177 N LEU A 77 -15.664 -6.561 2.754 1.00 0.00 N ATOM 1178 CA LEU A 77 -14.335 -7.138 2.868 1.00 0.00 C ATOM 1179 C LEU A 77 -14.382 -8.558 2.324 1.00 0.00 C ATOM 1180 O LEU A 77 -15.199 -9.372 2.758 1.00 0.00 O ATOM 1181 CB LEU A 77 -13.848 -7.125 4.325 1.00 0.00 C ATOM 1182 CG LEU A 77 -12.545 -6.354 4.571 1.00 0.00 C ATOM 1183 CD1 LEU A 77 -12.743 -4.869 4.313 1.00 0.00 C ATOM 1184 CD2 LEU A 77 -12.049 -6.585 5.992 1.00 0.00 C ATOM 0 H LEU A 77 -16.345 -6.936 3.415 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.627 -6.543 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.630 -6.693 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.710 -8.155 4.654 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.792 -6.725 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.807 -4.340 4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.052 -4.717 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.512 -4.483 4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.124 -6.031 6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.803 -6.242 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.865 -7.648 6.145 1.00 0.00 H new ATOM 1196 N LEU A 78 -13.531 -8.842 1.346 1.00 0.00 N ATOM 1197 CA LEU A 78 -13.517 -10.156 0.720 1.00 0.00 C ATOM 1198 C LEU A 78 -12.190 -10.877 0.945 1.00 0.00 C ATOM 1199 O LEU A 78 -11.114 -10.297 0.791 1.00 0.00 O ATOM 1200 CB LEU A 78 -13.779 -10.016 -0.789 1.00 0.00 C ATOM 1201 CG LEU A 78 -15.253 -9.939 -1.225 1.00 0.00 C ATOM 1202 CD1 LEU A 78 -15.387 -10.289 -2.700 1.00 0.00 C ATOM 1203 CD2 LEU A 78 -16.130 -10.860 -0.386 1.00 0.00 C ATOM 0 H LEU A 78 -12.847 -8.185 0.972 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.304 -10.752 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.271 -9.118 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.317 -10.863 -1.296 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.593 -8.915 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.435 -10.230 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.803 -9.587 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.019 -11.301 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.165 -10.781 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.790 -11.889 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.064 -10.569 0.662 1.00 0.00 H new ATOM 1215 N LEU A 79 -12.283 -12.152 1.301 1.00 0.00 N ATOM 1216 CA LEU A 79 -11.108 -12.975 1.538 1.00 0.00 C ATOM 1217 C LEU A 79 -11.039 -14.082 0.497 1.00 0.00 C ATOM 1218 O LEU A 79 -11.958 -14.895 0.389 1.00 0.00 O ATOM 1219 CB LEU A 79 -11.162 -13.593 2.939 1.00 0.00 C ATOM 1220 CG LEU A 79 -10.433 -12.819 4.039 1.00 0.00 C ATOM 1221 CD1 LEU A 79 -8.926 -12.932 3.868 1.00 0.00 C ATOM 1222 CD2 LEU A 79 -10.866 -11.363 4.047 1.00 0.00 C ATOM 0 H LEU A 79 -13.169 -12.640 1.432 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.221 -12.347 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.208 -13.699 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.742 -14.597 2.888 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.700 -13.259 5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.427 -12.374 4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.631 -13.980 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.638 -12.523 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.336 -10.830 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.634 -10.909 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.939 -11.304 4.227 1.00 0.00 H new ATOM 1234 N PHE A 80 -9.955 -14.114 -0.266 1.00 0.00 N ATOM 1235 CA PHE A 80 -9.788 -15.124 -1.303 1.00 0.00 C ATOM 1236 C PHE A 80 -8.664 -16.089 -0.954 1.00 0.00 C ATOM 1237 O PHE A 80 -7.677 -15.714 -0.320 1.00 0.00 O ATOM 1238 CB PHE A 80 -9.505 -14.453 -2.648 1.00 0.00 C ATOM 1239 CG PHE A 80 -10.739 -13.929 -3.327 1.00 0.00 C ATOM 1240 CD1 PHE A 80 -11.185 -12.643 -3.069 1.00 0.00 C ATOM 1241 CD2 PHE A 80 -11.452 -14.718 -4.220 1.00 0.00 C ATOM 1242 CE1 PHE A 80 -12.320 -12.150 -3.686 1.00 0.00 C ATOM 1243 CE2 PHE A 80 -12.589 -14.228 -4.841 1.00 0.00 C ATOM 1244 CZ PHE A 80 -13.023 -12.943 -4.572 1.00 0.00 C ATOM 0 H PHE A 80 -9.180 -13.455 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.714 -15.694 -1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.807 -13.630 -2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.014 -15.169 -3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.640 -12.018 -2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.117 -15.723 -4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.657 -11.146 -3.475 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -13.136 -14.849 -5.535 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.910 -12.560 -5.054 1.00 0.00 H new ATOM 1254 N LYS A 81 -8.828 -17.338 -1.369 1.00 0.00 N ATOM 1255 CA LYS A 81 -7.840 -18.376 -1.104 1.00 0.00 C ATOM 1256 C LYS A 81 -7.801 -19.376 -2.254 1.00 0.00 C ATOM 1257 O LYS A 81 -8.746 -20.138 -2.455 1.00 0.00 O ATOM 1258 CB LYS A 81 -8.175 -19.093 0.204 1.00 0.00 C ATOM 1259 CG LYS A 81 -6.952 -19.475 1.018 1.00 0.00 C ATOM 1260 CD LYS A 81 -7.190 -19.269 2.504 1.00 0.00 C ATOM 1261 CE LYS A 81 -5.880 -19.138 3.264 1.00 0.00 C ATOM 1262 NZ LYS A 81 -5.141 -20.430 3.321 1.00 0.00 N ATOM 0 H LYS A 81 -9.642 -17.659 -1.894 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.858 -17.911 -1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.816 -18.450 0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.747 -19.993 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.699 -20.518 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.099 -18.877 0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.792 -18.373 2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.761 -20.108 2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.256 -18.383 2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.081 -18.789 4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.254 -20.299 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.726 -21.144 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.927 -20.750 2.355 1.00 0.00 H new ATOM 1276 N ASN A 82 -6.708 -19.368 -3.009 1.00 0.00 N ATOM 1277 CA ASN A 82 -6.566 -20.277 -4.139 1.00 0.00 C ATOM 1278 C ASN A 82 -7.656 -20.005 -5.174 1.00 0.00 C ATOM 1279 O ASN A 82 -8.279 -20.931 -5.695 1.00 0.00 O ATOM 1280 CB ASN A 82 -6.643 -21.733 -3.670 1.00 0.00 C ATOM 1281 CG ASN A 82 -5.923 -21.967 -2.354 1.00 0.00 C ATOM 1282 OD1 ASN A 82 -6.523 -22.422 -1.380 1.00 0.00 O ATOM 1283 ND2 ASN A 82 -4.630 -21.660 -2.315 1.00 0.00 N ATOM 0 H ASN A 82 -5.913 -18.747 -2.860 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.591 -20.109 -4.596 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.689 -22.020 -3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.212 -22.379 -4.435 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.098 -21.799 -1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.170 -21.285 -3.144 1.00 0.00 H new ATOM 1290 N GLY A 83 -7.857 -18.728 -5.490 1.00 0.00 N ATOM 1291 CA GLY A 83 -8.847 -18.352 -6.481 1.00 0.00 C ATOM 1292 C GLY A 83 -10.284 -18.481 -5.997 1.00 0.00 C ATOM 1293 O GLY A 83 -11.216 -18.234 -6.762 1.00 0.00 O ATOM 0 H GLY A 83 -7.350 -17.946 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.668 -17.321 -6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.715 -18.974 -7.366 1.00 0.00 H new ATOM 1297 N GLU A 84 -10.476 -18.888 -4.745 1.00 0.00 N ATOM 1298 CA GLU A 84 -11.822 -19.061 -4.208 1.00 0.00 C ATOM 1299 C GLU A 84 -12.027 -18.266 -2.920 1.00 0.00 C ATOM 1300 O GLU A 84 -11.159 -18.231 -2.049 1.00 0.00 O ATOM 1301 CB GLU A 84 -12.097 -20.545 -3.957 1.00 0.00 C ATOM 1302 CG GLU A 84 -13.570 -20.913 -4.021 1.00 0.00 C ATOM 1303 CD GLU A 84 -13.885 -22.180 -3.251 1.00 0.00 C ATOM 1304 OE1 GLU A 84 -13.129 -22.509 -2.313 1.00 0.00 O ATOM 1305 OE2 GLU A 84 -14.890 -22.844 -3.585 1.00 0.00 O ATOM 0 H GLU A 84 -9.725 -19.102 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.525 -18.678 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.552 -21.136 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.706 -20.817 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.164 -20.091 -3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.864 -21.042 -5.063 1.00 0.00 H new ATOM 1312 N VAL A 85 -13.201 -17.649 -2.803 1.00 0.00 N ATOM 1313 CA VAL A 85 -13.543 -16.862 -1.621 1.00 0.00 C ATOM 1314 C VAL A 85 -13.708 -17.771 -0.400 1.00 0.00 C ATOM 1315 O VAL A 85 -14.560 -18.660 -0.395 1.00 0.00 O ATOM 1316 CB VAL A 85 -14.839 -16.056 -1.832 1.00 0.00 C ATOM 1317 CG1 VAL A 85 -16.004 -16.979 -2.157 1.00 0.00 C ATOM 1318 CG2 VAL A 85 -15.147 -15.209 -0.605 1.00 0.00 C ATOM 0 H VAL A 85 -13.932 -17.679 -3.514 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.724 -16.164 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.691 -15.388 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.908 -16.387 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.784 -17.535 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -16.156 -17.677 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.066 -14.647 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.271 -15.857 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.325 -14.516 -0.426 1.00 0.00 H new ATOM 1328 N ALA A 86 -12.888 -17.557 0.627 1.00 0.00 N ATOM 1329 CA ALA A 86 -12.959 -18.378 1.834 1.00 0.00 C ATOM 1330 C ALA A 86 -13.451 -17.589 3.042 1.00 0.00 C ATOM 1331 O ALA A 86 -13.383 -18.064 4.176 1.00 0.00 O ATOM 1332 CB ALA A 86 -11.604 -19.009 2.121 1.00 0.00 C ATOM 0 H ALA A 86 -12.173 -16.830 0.649 1.00 0.00 H new ATOM 0 HA ALA A 86 -13.689 -19.166 1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.670 -19.618 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -11.309 -19.636 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.861 -18.225 2.266 1.00 0.00 H new ATOM 1338 N ALA A 87 -13.952 -16.390 2.792 1.00 0.00 N ATOM 1339 CA ALA A 87 -14.465 -15.536 3.858 1.00 0.00 C ATOM 1340 C ALA A 87 -15.119 -14.279 3.290 1.00 0.00 C ATOM 1341 O ALA A 87 -14.618 -13.688 2.335 1.00 0.00 O ATOM 1342 CB ALA A 87 -13.349 -15.176 4.826 1.00 0.00 C ATOM 0 H ALA A 87 -14.016 -15.983 1.859 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.231 -16.089 4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.745 -14.539 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.940 -16.086 5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.561 -14.645 4.292 1.00 0.00 H new ATOM 1348 N THR A 88 -16.229 -13.860 3.892 1.00 0.00 N ATOM 1349 CA THR A 88 -16.928 -12.661 3.440 1.00 0.00 C ATOM 1350 C THR A 88 -17.364 -11.801 4.621 1.00 0.00 C ATOM 1351 O THR A 88 -18.075 -12.270 5.512 1.00 0.00 O ATOM 1352 CB THR A 88 -18.147 -13.035 2.594 1.00 0.00 C ATOM 1353 OG1 THR A 88 -19.037 -11.938 2.481 1.00 0.00 O ATOM 1354 CG2 THR A 88 -18.932 -14.205 3.150 1.00 0.00 C ATOM 0 H THR A 88 -16.661 -14.329 4.688 1.00 0.00 H new ATOM 0 HA THR A 88 -16.234 -12.084 2.829 1.00 0.00 H new ATOM 0 HB THR A 88 -17.743 -13.320 1.623 1.00 0.00 H new ATOM 0 HG1 THR A 88 -19.808 -12.198 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 88 -19.782 -14.415 2.500 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.289 -15.083 3.201 1.00 0.00 H new ATOM 0 HG23 THR A 88 -19.291 -13.960 4.149 1.00 0.00 H new ATOM 1362 N LYS A 89 -16.946 -10.538 4.619 1.00 0.00 N ATOM 1363 CA LYS A 89 -17.301 -9.608 5.682 1.00 0.00 C ATOM 1364 C LYS A 89 -17.935 -8.347 5.093 1.00 0.00 C ATOM 1365 O LYS A 89 -17.498 -7.850 4.055 1.00 0.00 O ATOM 1366 CB LYS A 89 -16.062 -9.244 6.503 1.00 0.00 C ATOM 1367 CG LYS A 89 -16.245 -9.437 8.000 1.00 0.00 C ATOM 1368 CD LYS A 89 -16.944 -8.244 8.628 1.00 0.00 C ATOM 1369 CE LYS A 89 -17.086 -8.407 10.133 1.00 0.00 C ATOM 1370 NZ LYS A 89 -17.732 -7.222 10.759 1.00 0.00 N ATOM 0 H LYS A 89 -16.359 -10.136 3.889 1.00 0.00 H new ATOM 0 HA LYS A 89 -18.026 -10.089 6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.222 -9.852 6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.800 -8.204 6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.826 -10.340 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.273 -9.582 8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.381 -7.336 8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.930 -8.122 8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.676 -9.298 10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.102 -8.561 10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.811 -7.371 11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.156 -6.375 10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.681 -7.090 10.354 1.00 0.00 H new ATOM 1384 N VAL A 90 -18.971 -7.844 5.751 1.00 0.00 N ATOM 1385 CA VAL A 90 -19.675 -6.653 5.284 1.00 0.00 C ATOM 1386 C VAL A 90 -19.635 -5.533 6.320 1.00 0.00 C ATOM 1387 O VAL A 90 -19.662 -5.791 7.524 1.00 0.00 O ATOM 1388 CB VAL A 90 -21.142 -6.972 4.947 1.00 0.00 C ATOM 1389 CG1 VAL A 90 -21.801 -5.789 4.258 1.00 0.00 C ATOM 1390 CG2 VAL A 90 -21.233 -8.221 4.083 1.00 0.00 C ATOM 0 H VAL A 90 -19.345 -8.242 6.612 1.00 0.00 H new ATOM 0 HA VAL A 90 -19.161 -6.319 4.383 1.00 0.00 H new ATOM 0 HB VAL A 90 -21.676 -7.163 5.878 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -22.838 -6.034 4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -21.771 -4.921 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -21.268 -5.562 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -22.278 -8.430 3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -20.684 -8.062 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -20.802 -9.067 4.619 1.00 0.00 H new ATOM 1400 N GLY A 91 -19.584 -4.287 5.852 1.00 0.00 N ATOM 1401 CA GLY A 91 -19.549 -3.158 6.759 1.00 0.00 C ATOM 1402 C GLY A 91 -18.167 -2.877 7.306 1.00 0.00 C ATOM 1403 O GLY A 91 -17.280 -3.729 7.258 1.00 0.00 O ATOM 0 H GLY A 91 -19.566 -4.043 4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -19.915 -2.272 6.240 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -20.230 -3.345 7.589 1.00 0.00 H new ATOM 1407 N ALA A 92 -17.988 -1.663 7.821 1.00 0.00 N ATOM 1408 CA ALA A 92 -16.708 -1.237 8.375 1.00 0.00 C ATOM 1409 C ALA A 92 -16.395 -1.957 9.680 1.00 0.00 C ATOM 1410 O ALA A 92 -17.293 -2.292 10.451 1.00 0.00 O ATOM 1411 CB ALA A 92 -16.712 0.269 8.595 1.00 0.00 C ATOM 0 H ALA A 92 -18.720 -0.954 7.866 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.929 -1.496 7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -15.752 0.579 9.009 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -16.877 0.775 7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.509 0.533 9.290 1.00 0.00 H new ATOM 1417 N LEU A 93 -15.109 -2.184 9.921 1.00 0.00 N ATOM 1418 CA LEU A 93 -14.664 -2.858 11.132 1.00 0.00 C ATOM 1419 C LEU A 93 -13.366 -2.241 11.644 1.00 0.00 C ATOM 1420 O LEU A 93 -12.577 -1.700 10.869 1.00 0.00 O ATOM 1421 CB LEU A 93 -14.471 -4.353 10.873 1.00 0.00 C ATOM 1422 CG LEU A 93 -13.823 -4.704 9.532 1.00 0.00 C ATOM 1423 CD1 LEU A 93 -12.996 -5.973 9.661 1.00 0.00 C ATOM 1424 CD2 LEU A 93 -14.882 -4.867 8.454 1.00 0.00 C ATOM 0 H LEU A 93 -14.355 -1.910 9.291 1.00 0.00 H new ATOM 0 HA LEU A 93 -15.433 -2.732 11.894 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.859 -4.768 11.674 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.443 -4.843 10.928 1.00 0.00 H new ATOM 0 HG LEU A 93 -13.162 -3.887 9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.541 -6.210 8.699 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.214 -5.823 10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.639 -6.797 9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -14.402 -5.116 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -15.567 -5.667 8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -15.437 -3.935 8.345 1.00 0.00 H new ATOM 1436 N SER A 94 -13.154 -2.317 12.954 1.00 0.00 N ATOM 1437 CA SER A 94 -11.953 -1.760 13.563 1.00 0.00 C ATOM 1438 C SER A 94 -10.704 -2.501 13.095 1.00 0.00 C ATOM 1439 O SER A 94 -10.785 -3.441 12.303 1.00 0.00 O ATOM 1440 CB SER A 94 -12.054 -1.816 15.087 1.00 0.00 C ATOM 1441 OG SER A 94 -10.877 -1.314 15.697 1.00 0.00 O ATOM 0 H SER A 94 -13.797 -2.758 13.612 1.00 0.00 H new ATOM 0 HA SER A 94 -11.871 -0.719 13.249 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.915 -1.235 15.419 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.222 -2.845 15.406 1.00 0.00 H new ATOM 0 HG SER A 94 -10.969 -1.360 16.672 1.00 0.00 H new ATOM 1447 N LYS A 95 -9.547 -2.066 13.588 1.00 0.00 N ATOM 1448 CA LYS A 95 -8.274 -2.677 13.218 1.00 0.00 C ATOM 1449 C LYS A 95 -8.108 -4.053 13.858 1.00 0.00 C ATOM 1450 O LYS A 95 -7.460 -4.933 13.292 1.00 0.00 O ATOM 1451 CB LYS A 95 -7.110 -1.774 13.628 1.00 0.00 C ATOM 1452 CG LYS A 95 -5.750 -2.318 13.218 1.00 0.00 C ATOM 1453 CD LYS A 95 -4.802 -1.203 12.813 1.00 0.00 C ATOM 1454 CE LYS A 95 -3.610 -1.743 12.042 1.00 0.00 C ATOM 1455 NZ LYS A 95 -2.654 -0.663 11.673 1.00 0.00 N ATOM 0 H LYS A 95 -9.465 -1.291 14.246 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.272 -2.801 12.135 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.249 -0.789 13.181 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.128 -1.639 14.709 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.318 -2.881 14.045 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.871 -3.014 12.387 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.334 -0.475 12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.454 -0.678 13.703 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.097 -2.492 12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.958 -2.244 11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.854 -1.072 11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.137 0.039 11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.302 -0.201 12.536 1.00 0.00 H new ATOM 1469 N GLY A 96 -8.672 -4.226 15.049 1.00 0.00 N ATOM 1470 CA GLY A 96 -8.556 -5.496 15.732 1.00 0.00 C ATOM 1471 C GLY A 96 -9.487 -6.550 15.169 1.00 0.00 C ATOM 1472 O GLY A 96 -9.177 -7.741 15.201 1.00 0.00 O ATOM 0 H GLY A 96 -9.203 -3.513 15.549 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.528 -5.850 15.660 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.771 -5.355 16.791 1.00 0.00 H new ATOM 1476 N GLN A 97 -10.627 -6.115 14.643 1.00 0.00 N ATOM 1477 CA GLN A 97 -11.596 -7.039 14.065 1.00 0.00 C ATOM 1478 C GLN A 97 -11.137 -7.502 12.685 1.00 0.00 C ATOM 1479 O GLN A 97 -11.390 -8.638 12.284 1.00 0.00 O ATOM 1480 CB GLN A 97 -12.972 -6.381 13.979 1.00 0.00 C ATOM 1481 CG GLN A 97 -13.403 -5.719 15.277 1.00 0.00 C ATOM 1482 CD GLN A 97 -14.675 -4.907 15.132 1.00 0.00 C ATOM 1483 OE1 GLN A 97 -15.195 -4.732 14.030 1.00 0.00 O ATOM 1484 NE2 GLN A 97 -15.184 -4.409 16.252 1.00 0.00 N ATOM 0 H GLN A 97 -10.902 -5.133 14.605 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.670 -7.913 14.713 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -12.961 -5.635 13.185 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.710 -7.133 13.700 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.552 -6.485 16.038 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.602 -5.070 15.631 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.719 -4.580 17.144 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.040 -3.856 16.221 1.00 0.00 H new ATOM 1493 N LEU A 98 -10.448 -6.621 11.971 1.00 0.00 N ATOM 1494 CA LEU A 98 -9.933 -6.955 10.649 1.00 0.00 C ATOM 1495 C LEU A 98 -8.779 -7.944 10.789 1.00 0.00 C ATOM 1496 O LEU A 98 -8.751 -8.986 10.134 1.00 0.00 O ATOM 1497 CB LEU A 98 -9.478 -5.694 9.904 1.00 0.00 C ATOM 1498 CG LEU A 98 -9.867 -5.636 8.423 1.00 0.00 C ATOM 1499 CD1 LEU A 98 -9.577 -4.258 7.845 1.00 0.00 C ATOM 1500 CD2 LEU A 98 -9.135 -6.711 7.632 1.00 0.00 C ATOM 0 H LEU A 98 -10.233 -5.674 12.283 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.730 -7.415 10.064 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.897 -4.823 10.408 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.394 -5.617 9.982 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.938 -5.823 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.860 -4.238 6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.150 -3.507 8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.513 -4.041 7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.426 -6.652 6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.059 -6.558 7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.395 -7.693 8.026 1.00 0.00 H new ATOM 1512 N LYS A 99 -7.826 -7.601 11.655 1.00 0.00 N ATOM 1513 CA LYS A 99 -6.660 -8.445 11.902 1.00 0.00 C ATOM 1514 C LYS A 99 -7.071 -9.808 12.459 1.00 0.00 C ATOM 1515 O LYS A 99 -6.533 -10.837 12.050 1.00 0.00 O ATOM 1516 CB LYS A 99 -5.698 -7.750 12.874 1.00 0.00 C ATOM 1517 CG LYS A 99 -4.243 -8.167 12.699 1.00 0.00 C ATOM 1518 CD LYS A 99 -3.394 -7.752 13.894 1.00 0.00 C ATOM 1519 CE LYS A 99 -3.560 -8.714 15.059 1.00 0.00 C ATOM 1520 NZ LYS A 99 -2.849 -8.240 16.279 1.00 0.00 N ATOM 0 H LYS A 99 -7.840 -6.739 12.200 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.154 -8.605 10.950 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.776 -6.671 12.739 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.009 -7.967 13.896 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.187 -9.248 12.569 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.841 -7.716 11.792 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.345 -7.713 13.600 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.674 -6.747 14.209 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.620 -8.835 15.281 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.180 -9.695 14.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.988 -8.925 17.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.833 -8.149 16.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.229 -7.315 16.565 1.00 0.00 H new ATOM 1534 N GLU A 100 -8.030 -9.817 13.385 1.00 0.00 N ATOM 1535 CA GLU A 100 -8.496 -11.071 13.972 1.00 0.00 C ATOM 1536 C GLU A 100 -9.091 -11.973 12.893 1.00 0.00 C ATOM 1537 O GLU A 100 -8.861 -13.183 12.883 1.00 0.00 O ATOM 1538 CB GLU A 100 -9.506 -10.811 15.106 1.00 0.00 C ATOM 1539 CG GLU A 100 -10.947 -10.614 14.655 1.00 0.00 C ATOM 1540 CD GLU A 100 -11.769 -11.885 14.751 1.00 0.00 C ATOM 1541 OE1 GLU A 100 -12.172 -12.249 15.876 1.00 0.00 O ATOM 1542 OE2 GLU A 100 -12.015 -12.516 13.701 1.00 0.00 O ATOM 0 H GLU A 100 -8.494 -8.981 13.741 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.641 -11.585 14.411 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.471 -11.649 15.802 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.190 -9.925 15.657 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.411 -9.839 15.265 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.956 -10.257 13.625 1.00 0.00 H new ATOM 1549 N PHE A 101 -9.825 -11.370 11.961 1.00 0.00 N ATOM 1550 CA PHE A 101 -10.429 -12.106 10.854 1.00 0.00 C ATOM 1551 C PHE A 101 -9.354 -12.754 9.988 1.00 0.00 C ATOM 1552 O PHE A 101 -9.472 -13.911 9.577 1.00 0.00 O ATOM 1553 CB PHE A 101 -11.280 -11.154 10.008 1.00 0.00 C ATOM 1554 CG PHE A 101 -12.172 -11.846 9.014 1.00 0.00 C ATOM 1555 CD1 PHE A 101 -12.938 -12.938 9.388 1.00 0.00 C ATOM 1556 CD2 PHE A 101 -12.240 -11.401 7.704 1.00 0.00 C ATOM 1557 CE1 PHE A 101 -13.756 -13.573 8.472 1.00 0.00 C ATOM 1558 CE2 PHE A 101 -13.057 -12.031 6.784 1.00 0.00 C ATOM 1559 CZ PHE A 101 -13.815 -13.119 7.168 1.00 0.00 C ATOM 0 H PHE A 101 -10.016 -10.368 11.951 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.062 -12.894 11.261 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.896 -10.547 10.672 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.619 -10.471 9.474 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -12.896 -13.297 10.406 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -11.648 -10.552 7.398 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -14.349 -14.423 8.775 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -13.102 -11.673 5.766 1.00 0.00 H new ATOM 0 HZ PHE A 101 -14.453 -13.614 6.451 1.00 0.00 H new ATOM 1569 N LEU A 102 -8.294 -11.996 9.729 1.00 0.00 N ATOM 1570 CA LEU A 102 -7.186 -12.483 8.920 1.00 0.00 C ATOM 1571 C LEU A 102 -6.452 -13.595 9.651 1.00 0.00 C ATOM 1572 O LEU A 102 -6.292 -14.694 9.128 1.00 0.00 O ATOM 1573 CB LEU A 102 -6.225 -11.337 8.592 1.00 0.00 C ATOM 1574 CG LEU A 102 -6.401 -10.733 7.198 1.00 0.00 C ATOM 1575 CD1 LEU A 102 -5.518 -9.505 7.028 1.00 0.00 C ATOM 1576 CD2 LEU A 102 -6.092 -11.768 6.128 1.00 0.00 C ATOM 0 H LEU A 102 -8.180 -11.041 10.069 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.583 -12.882 7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.355 -10.549 9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.202 -11.700 8.689 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.440 -10.422 7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.659 -9.091 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.789 -8.756 7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.473 -9.787 7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.222 -11.322 5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.063 -12.110 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.769 -12.615 6.235 1.00 0.00 H new ATOM 1588 N ASP A 103 -6.022 -13.307 10.873 1.00 0.00 N ATOM 1589 CA ASP A 103 -5.314 -14.289 11.686 1.00 0.00 C ATOM 1590 C ASP A 103 -6.093 -15.602 11.744 1.00 0.00 C ATOM 1591 O ASP A 103 -5.509 -16.685 11.751 1.00 0.00 O ATOM 1592 CB ASP A 103 -5.099 -13.745 13.101 1.00 0.00 C ATOM 1593 CG ASP A 103 -3.763 -14.159 13.686 1.00 0.00 C ATOM 1594 OD1 ASP A 103 -2.804 -14.335 12.906 1.00 0.00 O ATOM 1595 OD2 ASP A 103 -3.677 -14.307 14.923 1.00 0.00 O ATOM 0 H ASP A 103 -6.151 -12.401 11.324 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.344 -14.481 11.227 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.162 -12.657 13.082 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.901 -14.099 13.749 1.00 0.00 H new ATOM 1600 N ALA A 104 -7.418 -15.490 11.791 1.00 0.00 N ATOM 1601 CA ALA A 104 -8.293 -16.657 11.855 1.00 0.00 C ATOM 1602 C ALA A 104 -8.372 -17.407 10.524 1.00 0.00 C ATOM 1603 O ALA A 104 -8.750 -18.578 10.493 1.00 0.00 O ATOM 1604 CB ALA A 104 -9.686 -16.243 12.303 1.00 0.00 C ATOM 0 H ALA A 104 -7.911 -14.597 11.786 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.859 -17.341 12.584 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.330 -17.121 12.347 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -9.629 -15.785 13.290 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -10.098 -15.526 11.593 1.00 0.00 H new ATOM 1610 N ASN A 105 -8.039 -16.734 9.422 1.00 0.00 N ATOM 1611 CA ASN A 105 -8.106 -17.362 8.101 1.00 0.00 C ATOM 1612 C ASN A 105 -6.713 -17.634 7.533 1.00 0.00 C ATOM 1613 O ASN A 105 -6.530 -18.544 6.724 1.00 0.00 O ATOM 1614 CB ASN A 105 -8.895 -16.474 7.137 1.00 0.00 C ATOM 1615 CG ASN A 105 -9.780 -17.276 6.204 1.00 0.00 C ATOM 1616 OD1 ASN A 105 -10.178 -18.397 6.520 1.00 0.00 O ATOM 1617 ND2 ASN A 105 -10.093 -16.705 5.045 1.00 0.00 N ATOM 0 H ASN A 105 -7.723 -15.764 9.416 1.00 0.00 H new ATOM 0 HA ASN A 105 -8.614 -18.319 8.216 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.510 -15.779 7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.200 -15.875 6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -10.685 -17.198 4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.741 -15.774 4.824 1.00 0.00 H new ATOM 1624 N LEU A 106 -5.740 -16.839 7.956 1.00 0.00 N ATOM 1625 CA LEU A 106 -4.365 -16.982 7.494 1.00 0.00 C ATOM 1626 C LEU A 106 -3.684 -18.168 8.182 1.00 0.00 C ATOM 1627 O LEU A 106 -3.546 -19.240 7.593 1.00 0.00 O ATOM 1628 CB LEU A 106 -3.593 -15.682 7.753 1.00 0.00 C ATOM 1629 CG LEU A 106 -2.153 -15.642 7.235 1.00 0.00 C ATOM 1630 CD1 LEU A 106 -1.223 -16.383 8.182 1.00 0.00 C ATOM 1631 CD2 LEU A 106 -2.062 -16.224 5.830 1.00 0.00 C ATOM 0 H LEU A 106 -5.879 -16.081 8.625 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.370 -17.178 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.144 -14.859 7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.577 -15.500 8.828 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.840 -14.599 7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.204 -16.343 7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.257 -15.915 9.166 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.540 -17.423 8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.029 -16.184 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.400 -17.260 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.692 -15.645 5.155 1.00 0.00 H new ATOM 1643 N VAL A 107 -3.272 -17.969 9.435 1.00 0.00 N ATOM 1644 CA VAL A 107 -2.616 -19.016 10.218 1.00 0.00 C ATOM 1645 C VAL A 107 -1.595 -19.798 9.388 1.00 0.00 C ATOM 1646 O VAL A 107 -0.538 -19.221 9.057 1.00 0.00 O ATOM 1647 CB VAL A 107 -3.655 -19.987 10.830 1.00 0.00 C ATOM 1648 CG1 VAL A 107 -4.573 -20.552 9.756 1.00 0.00 C ATOM 1649 CG2 VAL A 107 -2.968 -21.105 11.603 1.00 0.00 C ATOM 0 H VAL A 107 -3.383 -17.085 9.932 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.081 -18.516 11.025 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.268 -19.422 11.532 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.293 -21.231 10.213 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.104 -19.736 9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.980 -21.094 9.019 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.720 -21.773 12.023 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.319 -21.666 10.931 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.372 -20.677 12.409 1.00 0.00 H new TER 1659 VAL A 107