USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 2 THR OG1 : rot -100:sc= -1.31! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= -0.0571 (180deg=-0.52) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= -0.343 (180deg=-1.54!) USER MOD Single : A 22 SER OG : rot 61:sc= 0.946 USER MOD Single : A 24 SER OG : rot 180:sc= -0.359 USER MOD Single : A 28 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.5) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc=-0.000782 (180deg=-0.0669) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= -0.401 (180deg=-1.7!) USER MOD Single : A 48 MET CE :methyl -111:sc= -4.52! (180deg=-11.4!) USER MOD Single : A 52 ASN : amide:sc= -0.254 K(o=-0.25,f=-2.5!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0696 USER MOD Single : A 60 MET CE :methyl -163:sc= -3.69! (180deg=-4.12!) USER MOD Single : A 62 MET CE :methyl -122:sc= -1.55 (180deg=-4.59!) USER MOD Single : A 66 THR OG1 : rot 89:sc= 1.01 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -121:sc= -0.359 (180deg=-2.18!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.316 17.744 0.283 1.00 0.00 N ATOM 2 CA MET A 1 0.373 18.663 0.981 1.00 0.00 C ATOM 3 C MET A 1 -0.231 19.640 -0.030 1.00 0.00 C ATOM 4 O MET A 1 -0.029 20.835 0.048 1.00 0.00 O ATOM 5 CB MET A 1 1.126 19.446 2.060 1.00 0.00 C ATOM 6 CG MET A 1 0.673 18.976 3.443 1.00 0.00 C ATOM 7 SD MET A 1 1.974 19.320 4.653 1.00 0.00 S ATOM 8 CE MET A 1 0.890 19.778 6.027 1.00 0.00 C ATOM 0 H1 MET A 1 1.726 17.080 0.970 1.00 0.00 H new ATOM 0 H2 MET A 1 0.804 17.212 -0.449 1.00 0.00 H new ATOM 0 H3 MET A 1 2.077 18.298 -0.160 1.00 0.00 H new ATOM 0 HA MET A 1 -0.424 18.081 1.444 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.200 19.298 1.948 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.937 20.514 1.948 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.248 19.485 3.728 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.454 17.908 3.422 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.494 20.034 6.897 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.283 20.637 5.741 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.239 18.939 6.272 1.00 0.00 H new ATOM 20 N THR A 2 -0.973 19.139 -0.981 1.00 0.00 N ATOM 21 CA THR A 2 -1.589 20.041 -1.997 1.00 0.00 C ATOM 22 C THR A 2 -2.526 19.231 -2.895 1.00 0.00 C ATOM 23 O THR A 2 -2.166 18.190 -3.407 1.00 0.00 O ATOM 24 CB THR A 2 -0.488 20.676 -2.850 1.00 0.00 C ATOM 25 OG1 THR A 2 0.781 20.330 -2.314 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.650 22.197 -2.843 1.00 0.00 C ATOM 0 H THR A 2 -1.179 18.147 -1.098 1.00 0.00 H new ATOM 0 HA THR A 2 -2.155 20.824 -1.493 1.00 0.00 H new ATOM 0 HB THR A 2 -0.562 20.310 -3.874 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.126 21.077 -1.781 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.134 22.649 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.625 22.461 -3.253 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.575 22.566 -1.820 1.00 0.00 H new ATOM 34 N PHE A 3 -3.728 19.700 -3.087 1.00 0.00 N ATOM 35 CA PHE A 3 -4.691 18.959 -3.949 1.00 0.00 C ATOM 36 C PHE A 3 -5.201 17.728 -3.196 1.00 0.00 C ATOM 37 O PHE A 3 -4.434 16.907 -2.738 1.00 0.00 O ATOM 38 CB PHE A 3 -3.989 18.516 -5.236 1.00 0.00 C ATOM 39 CG PHE A 3 -3.110 19.634 -5.743 1.00 0.00 C ATOM 40 CD1 PHE A 3 -3.623 20.933 -5.855 1.00 0.00 C ATOM 41 CD2 PHE A 3 -1.782 19.373 -6.101 1.00 0.00 C ATOM 42 CE1 PHE A 3 -2.808 21.969 -6.325 1.00 0.00 C ATOM 43 CE2 PHE A 3 -0.968 20.410 -6.570 1.00 0.00 C ATOM 44 CZ PHE A 3 -1.481 21.707 -6.684 1.00 0.00 C ATOM 0 H PHE A 3 -4.085 20.566 -2.683 1.00 0.00 H new ATOM 0 HA PHE A 3 -5.530 19.608 -4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -3.390 17.625 -5.047 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -4.728 18.249 -5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -4.647 21.135 -5.579 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.386 18.372 -6.015 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.203 22.971 -6.411 1.00 0.00 H new ATOM 0 HE2 PHE A 3 0.057 20.209 -6.844 1.00 0.00 H new ATOM 0 HZ PHE A 3 -0.853 22.506 -7.049 1.00 0.00 H new ATOM 54 N ILE A 4 -6.493 17.595 -3.063 1.00 0.00 N ATOM 55 CA ILE A 4 -7.048 16.417 -2.335 1.00 0.00 C ATOM 56 C ILE A 4 -7.602 15.407 -3.342 1.00 0.00 C ATOM 57 O ILE A 4 -7.509 15.592 -4.539 1.00 0.00 O ATOM 58 CB ILE A 4 -8.169 16.875 -1.400 1.00 0.00 C ATOM 59 CG1 ILE A 4 -7.858 18.281 -0.880 1.00 0.00 C ATOM 60 CG2 ILE A 4 -8.277 15.908 -0.220 1.00 0.00 C ATOM 61 CD1 ILE A 4 -8.547 19.317 -1.768 1.00 0.00 C ATOM 0 H ILE A 4 -7.187 18.249 -3.426 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.257 15.948 -1.750 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.113 16.889 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.201 18.383 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.781 18.449 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.076 16.234 0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.499 14.907 -0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.333 15.893 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.326 20.318 -1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.183 19.219 -2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.624 19.153 -1.749 1.00 0.00 H new ATOM 73 N THR A 5 -8.176 14.335 -2.865 1.00 0.00 N ATOM 74 CA THR A 5 -8.731 13.310 -3.793 1.00 0.00 C ATOM 75 C THR A 5 -7.624 12.830 -4.732 1.00 0.00 C ATOM 76 O THR A 5 -7.436 13.361 -5.809 1.00 0.00 O ATOM 77 CB THR A 5 -9.867 13.921 -4.615 1.00 0.00 C ATOM 78 OG1 THR A 5 -10.314 15.117 -3.989 1.00 0.00 O ATOM 79 CG2 THR A 5 -11.025 12.927 -4.707 1.00 0.00 C ATOM 0 H THR A 5 -8.284 14.126 -1.873 1.00 0.00 H new ATOM 0 HA THR A 5 -9.116 12.468 -3.218 1.00 0.00 H new ATOM 0 HB THR A 5 -9.507 14.149 -5.618 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.041 15.510 -4.516 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.834 13.364 -5.293 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.681 12.012 -5.189 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.387 12.696 -3.705 1.00 0.00 H new ATOM 87 N LYS A 6 -6.885 11.833 -4.332 1.00 0.00 N ATOM 88 CA LYS A 6 -5.787 11.327 -5.203 1.00 0.00 C ATOM 89 C LYS A 6 -5.491 9.877 -4.875 1.00 0.00 C ATOM 90 O LYS A 6 -4.670 9.576 -4.031 1.00 0.00 O ATOM 91 CB LYS A 6 -4.529 12.169 -4.977 1.00 0.00 C ATOM 92 CG LYS A 6 -4.629 13.468 -5.780 1.00 0.00 C ATOM 93 CD LYS A 6 -3.310 14.235 -5.671 1.00 0.00 C ATOM 94 CE LYS A 6 -3.249 15.303 -6.766 1.00 0.00 C ATOM 95 NZ LYS A 6 -3.076 14.642 -8.090 1.00 0.00 N ATOM 0 H LYS A 6 -6.993 11.347 -3.442 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.095 11.401 -6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.415 12.393 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.645 11.609 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.849 13.247 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.450 14.079 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.228 14.701 -4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.469 13.549 -5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.162 15.898 -6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.421 15.987 -6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.607 15.298 -8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.493 13.788 -7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.007 14.378 -8.470 1.00 0.00 H new ATOM 109 N THR A 7 -6.130 8.965 -5.556 1.00 0.00 N ATOM 110 CA THR A 7 -5.842 7.538 -5.286 1.00 0.00 C ATOM 111 C THR A 7 -6.360 7.179 -3.882 1.00 0.00 C ATOM 112 O THR A 7 -6.417 8.027 -3.013 1.00 0.00 O ATOM 113 CB THR A 7 -4.325 7.384 -5.354 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.816 8.259 -6.353 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.932 5.950 -5.698 1.00 0.00 C ATOM 0 H THR A 7 -6.828 9.147 -6.277 1.00 0.00 H new ATOM 0 HA THR A 7 -6.327 6.878 -6.005 1.00 0.00 H new ATOM 0 HB THR A 7 -3.907 7.631 -4.378 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.842 8.168 -6.402 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.846 5.870 -5.740 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.316 5.274 -4.934 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.353 5.680 -6.666 1.00 0.00 H new ATOM 123 N PRO A 8 -6.728 5.935 -3.704 1.00 0.00 N ATOM 124 CA PRO A 8 -7.253 5.434 -2.420 1.00 0.00 C ATOM 125 C PRO A 8 -6.099 5.227 -1.434 1.00 0.00 C ATOM 126 O PRO A 8 -4.958 5.439 -1.782 1.00 0.00 O ATOM 127 CB PRO A 8 -7.930 4.112 -2.806 1.00 0.00 C ATOM 128 CG PRO A 8 -7.303 3.666 -4.144 1.00 0.00 C ATOM 129 CD PRO A 8 -6.644 4.911 -4.761 1.00 0.00 C ATOM 0 HA PRO A 8 -7.945 6.115 -1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.774 3.358 -2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.007 4.244 -2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.567 2.878 -3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.063 3.260 -4.811 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.609 4.714 -5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.165 5.229 -5.664 1.00 0.00 H new ATOM 137 N PRO A 9 -6.426 4.828 -0.231 1.00 0.00 N ATOM 138 CA PRO A 9 -5.414 4.607 0.820 1.00 0.00 C ATOM 139 C PRO A 9 -4.537 3.395 0.498 1.00 0.00 C ATOM 140 O PRO A 9 -4.973 2.431 -0.098 1.00 0.00 O ATOM 141 CB PRO A 9 -6.246 4.403 2.090 1.00 0.00 C ATOM 142 CG PRO A 9 -7.658 3.991 1.622 1.00 0.00 C ATOM 143 CD PRO A 9 -7.815 4.544 0.192 1.00 0.00 C ATOM 0 HA PRO A 9 -4.713 5.436 0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.806 3.633 2.723 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.284 5.318 2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.772 2.907 1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.422 4.399 2.283 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.294 3.819 -0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.430 5.444 0.176 1.00 0.00 H new ATOM 151 N ALA A 10 -3.287 3.462 0.877 1.00 0.00 N ATOM 152 CA ALA A 10 -2.340 2.347 0.591 1.00 0.00 C ATOM 153 C ALA A 10 -3.030 0.996 0.781 1.00 0.00 C ATOM 154 O ALA A 10 -3.121 0.209 -0.138 1.00 0.00 O ATOM 155 CB ALA A 10 -1.148 2.440 1.546 1.00 0.00 C ATOM 0 H ALA A 10 -2.879 4.251 1.378 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.002 2.429 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.453 1.626 1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.642 3.395 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.500 2.365 2.575 1.00 0.00 H new ATOM 161 N ALA A 11 -3.503 0.714 1.965 1.00 0.00 N ATOM 162 CA ALA A 11 -4.173 -0.598 2.206 1.00 0.00 C ATOM 163 C ALA A 11 -5.082 -0.943 1.023 1.00 0.00 C ATOM 164 O ALA A 11 -4.885 -1.935 0.349 1.00 0.00 O ATOM 165 CB ALA A 11 -5.008 -0.516 3.485 1.00 0.00 C ATOM 0 H ALA A 11 -3.455 1.333 2.774 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.415 -1.374 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.498 -1.474 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.359 -0.279 4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.763 0.263 3.377 1.00 0.00 H new ATOM 171 N VAL A 12 -6.072 -0.137 0.761 1.00 0.00 N ATOM 172 CA VAL A 12 -6.983 -0.431 -0.382 1.00 0.00 C ATOM 173 C VAL A 12 -6.170 -0.480 -1.678 1.00 0.00 C ATOM 174 O VAL A 12 -6.079 -1.502 -2.328 1.00 0.00 O ATOM 175 CB VAL A 12 -8.044 0.665 -0.487 1.00 0.00 C ATOM 176 CG1 VAL A 12 -9.046 0.302 -1.584 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.775 0.793 0.849 1.00 0.00 C ATOM 0 H VAL A 12 -6.290 0.710 1.286 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.471 -1.392 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.565 1.613 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.802 1.083 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.525 0.209 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.526 -0.645 -1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.532 1.574 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.254 -0.155 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.061 1.051 1.631 1.00 0.00 H new ATOM 187 N LEU A 13 -5.575 0.619 -2.056 1.00 0.00 N ATOM 188 CA LEU A 13 -4.764 0.634 -3.304 1.00 0.00 C ATOM 189 C LEU A 13 -3.888 -0.615 -3.346 1.00 0.00 C ATOM 190 O LEU A 13 -3.590 -1.144 -4.398 1.00 0.00 O ATOM 191 CB LEU A 13 -3.891 1.895 -3.321 1.00 0.00 C ATOM 192 CG LEU A 13 -2.697 1.714 -4.262 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.606 2.912 -5.205 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.414 1.617 -3.435 1.00 0.00 C ATOM 0 H LEU A 13 -5.616 1.506 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.417 0.641 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.486 2.751 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.537 2.112 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.826 0.803 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.756 2.784 -5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.522 2.984 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.475 3.824 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.561 1.488 -4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.286 2.530 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.480 0.764 -2.760 1.00 0.00 H new ATOM 206 N LEU A 14 -3.477 -1.091 -2.210 1.00 0.00 N ATOM 207 CA LEU A 14 -2.625 -2.311 -2.182 1.00 0.00 C ATOM 208 C LEU A 14 -3.466 -3.497 -2.646 1.00 0.00 C ATOM 209 O LEU A 14 -3.077 -4.238 -3.527 1.00 0.00 O ATOM 210 CB LEU A 14 -2.112 -2.549 -0.761 1.00 0.00 C ATOM 211 CG LEU A 14 -0.825 -1.750 -0.552 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.847 -1.090 0.830 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.379 -2.689 -0.649 1.00 0.00 C ATOM 0 H LEU A 14 -3.693 -0.690 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.767 -2.188 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.865 -2.245 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.925 -3.611 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.750 -0.979 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.071 -0.521 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.704 -0.420 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.924 -1.859 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.297 -2.120 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.302 -3.460 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.397 -3.156 -1.633 1.00 0.00 H new ATOM 225 N LYS A 15 -4.631 -3.669 -2.083 1.00 0.00 N ATOM 226 CA LYS A 15 -5.497 -4.791 -2.526 1.00 0.00 C ATOM 227 C LYS A 15 -5.716 -4.642 -4.031 1.00 0.00 C ATOM 228 O LYS A 15 -5.779 -5.604 -4.763 1.00 0.00 O ATOM 229 CB LYS A 15 -6.841 -4.731 -1.798 1.00 0.00 C ATOM 230 CG LYS A 15 -7.696 -5.930 -2.213 1.00 0.00 C ATOM 231 CD LYS A 15 -9.029 -5.896 -1.464 1.00 0.00 C ATOM 232 CE LYS A 15 -10.026 -6.824 -2.158 1.00 0.00 C ATOM 233 NZ LYS A 15 -10.693 -6.093 -3.273 1.00 0.00 N ATOM 0 H LYS A 15 -5.016 -3.084 -1.341 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.026 -5.748 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.684 -4.738 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.357 -3.801 -2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.871 -5.909 -3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.168 -6.858 -1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.885 -6.207 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.419 -4.878 -1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.512 -7.705 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.770 -7.176 -1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.371 -6.724 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.196 -5.266 -2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.977 -5.778 -3.959 1.00 0.00 H new ATOM 247 N LYS A 16 -5.811 -3.434 -4.503 1.00 0.00 N ATOM 248 CA LYS A 16 -5.991 -3.239 -5.962 1.00 0.00 C ATOM 249 C LYS A 16 -4.669 -3.547 -6.649 1.00 0.00 C ATOM 250 O LYS A 16 -4.606 -4.258 -7.632 1.00 0.00 O ATOM 251 CB LYS A 16 -6.408 -1.795 -6.249 1.00 0.00 C ATOM 252 CG LYS A 16 -7.918 -1.734 -6.490 1.00 0.00 C ATOM 253 CD LYS A 16 -8.626 -1.328 -5.195 1.00 0.00 C ATOM 254 CE LYS A 16 -10.083 -0.971 -5.496 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.133 0.014 -6.614 1.00 0.00 N ATOM 0 H LYS A 16 -5.772 -2.580 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.771 -3.902 -6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.138 -1.154 -5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.875 -1.419 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.142 -1.017 -7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.283 -2.704 -6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.583 -2.144 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.118 -0.476 -4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.641 -1.869 -5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.557 -0.553 -4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.995 0.589 -6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.298 0.633 -6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.140 -0.492 -7.523 1.00 0.00 H new ATOM 269 N ALA A 17 -3.613 -3.014 -6.122 1.00 0.00 N ATOM 270 CA ALA A 17 -2.267 -3.259 -6.713 1.00 0.00 C ATOM 271 C ALA A 17 -1.902 -4.744 -6.589 1.00 0.00 C ATOM 272 O ALA A 17 -2.068 -5.514 -7.514 1.00 0.00 O ATOM 273 CB ALA A 17 -1.227 -2.418 -5.971 1.00 0.00 C ATOM 0 H ALA A 17 -3.618 -2.412 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.283 -2.981 -7.767 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.241 -2.595 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.479 -1.362 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.218 -2.697 -4.917 1.00 0.00 H new ATOM 279 N ALA A 18 -1.390 -5.145 -5.454 1.00 0.00 N ATOM 280 CA ALA A 18 -0.992 -6.575 -5.268 1.00 0.00 C ATOM 281 C ALA A 18 -2.224 -7.448 -5.003 1.00 0.00 C ATOM 282 O ALA A 18 -2.214 -8.635 -5.260 1.00 0.00 O ATOM 283 CB ALA A 18 -0.034 -6.680 -4.079 1.00 0.00 C ATOM 0 H ALA A 18 -1.230 -4.544 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.503 -6.925 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.259 -7.720 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.853 -6.076 -4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.531 -6.319 -3.179 1.00 0.00 H new ATOM 289 N GLY A 19 -3.280 -6.880 -4.489 1.00 0.00 N ATOM 290 CA GLY A 19 -4.499 -7.692 -4.209 1.00 0.00 C ATOM 291 C GLY A 19 -4.112 -9.029 -3.576 1.00 0.00 C ATOM 292 O GLY A 19 -4.822 -10.008 -3.698 1.00 0.00 O ATOM 0 H GLY A 19 -3.352 -5.891 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.164 -7.144 -3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.049 -7.865 -5.134 1.00 0.00 H new ATOM 296 N ILE A 20 -3.002 -9.076 -2.887 1.00 0.00 N ATOM 297 CA ILE A 20 -2.570 -10.345 -2.229 1.00 0.00 C ATOM 298 C ILE A 20 -2.841 -11.538 -3.151 1.00 0.00 C ATOM 299 O ILE A 20 -3.090 -11.386 -4.330 1.00 0.00 O ATOM 300 CB ILE A 20 -3.335 -10.524 -0.911 1.00 0.00 C ATOM 301 CG1 ILE A 20 -4.839 -10.387 -1.160 1.00 0.00 C ATOM 302 CG2 ILE A 20 -2.888 -9.454 0.087 1.00 0.00 C ATOM 303 CD1 ILE A 20 -5.600 -10.685 0.133 1.00 0.00 C ATOM 0 H ILE A 20 -2.372 -8.285 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.500 -10.294 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.125 -11.514 -0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.071 -9.380 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.152 -11.075 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.431 -9.580 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.818 -9.553 0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.096 -8.465 -0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.671 -10.587 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.377 -11.701 0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.295 -9.980 0.906 1.00 0.00 H new ATOM 315 N GLU A 21 -2.781 -12.726 -2.618 1.00 0.00 N ATOM 316 CA GLU A 21 -3.026 -13.936 -3.452 1.00 0.00 C ATOM 317 C GLU A 21 -4.527 -14.216 -3.522 1.00 0.00 C ATOM 318 O GLU A 21 -5.070 -14.500 -4.571 1.00 0.00 O ATOM 319 CB GLU A 21 -2.324 -15.134 -2.813 1.00 0.00 C ATOM 320 CG GLU A 21 -2.996 -15.468 -1.477 1.00 0.00 C ATOM 321 CD GLU A 21 -2.190 -16.553 -0.765 1.00 0.00 C ATOM 322 OE1 GLU A 21 -1.267 -16.205 -0.048 1.00 0.00 O ATOM 323 OE2 GLU A 21 -2.509 -17.717 -0.949 1.00 0.00 O ATOM 0 H GLU A 21 -2.572 -12.912 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.640 -13.769 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.370 -15.994 -3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.269 -14.909 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.057 -14.576 -0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.017 -15.809 -1.646 1.00 0.00 H new ATOM 330 N SER A 22 -5.197 -14.144 -2.407 1.00 0.00 N ATOM 331 CA SER A 22 -6.660 -14.409 -2.387 1.00 0.00 C ATOM 332 C SER A 22 -7.096 -14.612 -0.941 1.00 0.00 C ATOM 333 O SER A 22 -7.884 -15.483 -0.628 1.00 0.00 O ATOM 334 CB SER A 22 -6.969 -15.667 -3.198 1.00 0.00 C ATOM 335 OG SER A 22 -7.291 -15.296 -4.534 1.00 0.00 O ATOM 0 H SER A 22 -4.789 -13.911 -1.501 1.00 0.00 H new ATOM 0 HA SER A 22 -7.196 -13.567 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.110 -16.338 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.801 -16.209 -2.748 1.00 0.00 H new ATOM 0 HG SER A 22 -6.525 -14.840 -4.941 1.00 0.00 H new ATOM 341 N GLY A 23 -6.583 -13.807 -0.059 1.00 0.00 N ATOM 342 CA GLY A 23 -6.952 -13.933 1.375 1.00 0.00 C ATOM 343 C GLY A 23 -6.008 -14.913 2.071 1.00 0.00 C ATOM 344 O GLY A 23 -6.422 -15.709 2.890 1.00 0.00 O ATOM 0 H GLY A 23 -5.919 -13.062 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.900 -12.958 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.981 -14.280 1.465 1.00 0.00 H new ATOM 348 N SER A 24 -4.743 -14.860 1.754 1.00 0.00 N ATOM 349 CA SER A 24 -3.774 -15.789 2.405 1.00 0.00 C ATOM 350 C SER A 24 -3.890 -17.175 1.788 1.00 0.00 C ATOM 351 O SER A 24 -2.912 -17.761 1.369 1.00 0.00 O ATOM 352 CB SER A 24 -4.076 -15.881 3.900 1.00 0.00 C ATOM 353 OG SER A 24 -4.467 -14.600 4.382 1.00 0.00 O ATOM 0 H SER A 24 -4.339 -14.216 1.074 1.00 0.00 H new ATOM 0 HA SER A 24 -2.764 -15.408 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.870 -16.607 4.078 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.196 -16.232 4.439 1.00 0.00 H new ATOM 0 HG SER A 24 -4.663 -14.657 5.341 1.00 0.00 H new ATOM 359 N GLY A 25 -5.068 -17.725 1.755 1.00 0.00 N ATOM 360 CA GLY A 25 -5.224 -19.090 1.192 1.00 0.00 C ATOM 361 C GLY A 25 -4.286 -20.039 1.944 1.00 0.00 C ATOM 362 O GLY A 25 -4.019 -21.142 1.513 1.00 0.00 O ATOM 0 H GLY A 25 -5.927 -17.290 2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.257 -19.424 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.988 -19.090 0.128 1.00 0.00 H new ATOM 366 N GLU A 26 -3.781 -19.604 3.070 1.00 0.00 N ATOM 367 CA GLU A 26 -2.854 -20.452 3.868 1.00 0.00 C ATOM 368 C GLU A 26 -2.174 -19.554 4.902 1.00 0.00 C ATOM 369 O GLU A 26 -0.986 -19.310 4.826 1.00 0.00 O ATOM 370 CB GLU A 26 -1.798 -21.076 2.953 1.00 0.00 C ATOM 371 CG GLU A 26 -1.236 -20.006 2.014 1.00 0.00 C ATOM 372 CD GLU A 26 0.128 -20.452 1.487 1.00 0.00 C ATOM 373 OE1 GLU A 26 0.159 -21.364 0.678 1.00 0.00 O ATOM 374 OE2 GLU A 26 1.120 -19.876 1.904 1.00 0.00 O ATOM 0 H GLU A 26 -3.975 -18.687 3.472 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.403 -21.256 4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.995 -21.509 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.238 -21.888 2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.922 -19.840 1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.141 -19.058 2.543 1.00 0.00 H new ATOM 381 N PRO A 27 -2.963 -19.070 5.827 1.00 0.00 N ATOM 382 CA PRO A 27 -2.486 -18.164 6.884 1.00 0.00 C ATOM 383 C PRO A 27 -1.694 -18.924 7.946 1.00 0.00 C ATOM 384 O PRO A 27 -1.770 -20.132 8.053 1.00 0.00 O ATOM 385 CB PRO A 27 -3.776 -17.582 7.469 1.00 0.00 C ATOM 386 CG PRO A 27 -4.903 -18.579 7.115 1.00 0.00 C ATOM 387 CD PRO A 27 -4.403 -19.391 5.907 1.00 0.00 C ATOM 0 HA PRO A 27 -1.808 -17.397 6.508 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.692 -17.458 8.549 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.983 -16.597 7.050 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.122 -19.233 7.959 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.826 -18.052 6.873 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.566 -20.459 6.050 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.926 -19.109 4.993 1.00 0.00 H new ATOM 395 N ASN A 28 -0.932 -18.217 8.729 1.00 0.00 N ATOM 396 CA ASN A 28 -0.123 -18.881 9.788 1.00 0.00 C ATOM 397 C ASN A 28 0.414 -17.822 10.753 1.00 0.00 C ATOM 398 O ASN A 28 0.319 -17.960 11.957 1.00 0.00 O ATOM 399 CB ASN A 28 1.049 -19.621 9.140 1.00 0.00 C ATOM 400 CG ASN A 28 0.654 -21.076 8.872 1.00 0.00 C ATOM 401 OD1 ASN A 28 0.674 -21.524 7.744 1.00 0.00 O ATOM 402 ND2 ASN A 28 0.296 -21.837 9.870 1.00 0.00 N ATOM 0 H ASN A 28 -0.833 -17.203 8.682 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.745 -19.590 10.334 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.329 -19.132 8.207 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.921 -19.585 9.793 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.033 -22.808 9.702 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.279 -21.461 10.818 1.00 0.00 H new ATOM 409 N ARG A 29 0.977 -16.763 10.235 1.00 0.00 N ATOM 410 CA ARG A 29 1.519 -15.696 11.124 1.00 0.00 C ATOM 411 C ARG A 29 1.461 -14.348 10.401 1.00 0.00 C ATOM 412 O ARG A 29 2.350 -13.528 10.524 1.00 0.00 O ATOM 413 CB ARG A 29 2.973 -16.018 11.481 1.00 0.00 C ATOM 414 CG ARG A 29 3.111 -16.146 12.999 1.00 0.00 C ATOM 415 CD ARG A 29 3.753 -14.877 13.563 1.00 0.00 C ATOM 416 NE ARG A 29 2.970 -14.405 14.742 1.00 0.00 N ATOM 417 CZ ARG A 29 3.189 -14.922 15.921 1.00 0.00 C ATOM 418 NH1 ARG A 29 2.630 -16.052 16.253 1.00 0.00 N ATOM 419 NH2 ARG A 29 3.968 -14.307 16.769 1.00 0.00 N ATOM 0 H ARG A 29 1.085 -16.591 9.235 1.00 0.00 H new ATOM 0 HA ARG A 29 0.922 -15.647 12.035 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.280 -16.946 10.998 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.632 -15.233 11.111 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.132 -16.303 13.452 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.720 -17.015 13.247 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.784 -15.077 13.854 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.783 -14.101 12.798 1.00 0.00 H new ATOM 0 HE ARG A 29 2.263 -13.678 14.627 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.021 -16.533 15.592 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.802 -16.455 17.174 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.406 -13.423 16.511 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.139 -14.711 17.690 1.00 0.00 H new ATOM 433 N ASN A 30 0.423 -14.110 9.645 1.00 0.00 N ATOM 434 CA ASN A 30 0.312 -12.816 8.914 1.00 0.00 C ATOM 435 C ASN A 30 1.468 -12.697 7.920 1.00 0.00 C ATOM 436 O ASN A 30 2.554 -12.274 8.264 1.00 0.00 O ATOM 437 CB ASN A 30 0.376 -11.656 9.911 1.00 0.00 C ATOM 438 CG ASN A 30 -0.688 -11.853 10.994 1.00 0.00 C ATOM 439 OD1 ASN A 30 -0.394 -12.343 12.065 1.00 0.00 O ATOM 440 ND2 ASN A 30 -1.918 -11.488 10.758 1.00 0.00 N ATOM 0 H ASN A 30 -0.353 -14.756 9.502 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.637 -12.780 8.379 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.366 -11.606 10.364 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.214 -10.710 9.395 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.634 -11.614 11.474 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.164 -11.076 9.858 1.00 0.00 H new ATOM 447 N LYS A 31 1.246 -13.068 6.689 1.00 0.00 N ATOM 448 CA LYS A 31 2.336 -12.976 5.680 1.00 0.00 C ATOM 449 C LYS A 31 1.942 -13.757 4.427 1.00 0.00 C ATOM 450 O LYS A 31 2.360 -14.880 4.227 1.00 0.00 O ATOM 451 CB LYS A 31 3.616 -13.573 6.264 1.00 0.00 C ATOM 452 CG LYS A 31 4.568 -12.448 6.670 1.00 0.00 C ATOM 453 CD LYS A 31 5.914 -12.646 5.974 1.00 0.00 C ATOM 454 CE LYS A 31 6.903 -13.284 6.949 1.00 0.00 C ATOM 455 NZ LYS A 31 6.510 -14.700 7.195 1.00 0.00 N ATOM 0 H LYS A 31 0.359 -13.430 6.340 1.00 0.00 H new ATOM 0 HA LYS A 31 2.502 -11.931 5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.379 -14.192 7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.095 -14.221 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.144 -11.482 6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.703 -12.443 7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.792 -13.281 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.299 -11.688 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.913 -13.241 6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.915 -12.730 7.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.236 -15.166 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.598 -14.725 7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.422 -15.199 6.287 1.00 0.00 H new ATOM 469 N VAL A 32 1.136 -13.176 3.581 1.00 0.00 N ATOM 470 CA VAL A 32 0.717 -13.894 2.345 1.00 0.00 C ATOM 471 C VAL A 32 0.974 -13.020 1.116 1.00 0.00 C ATOM 472 O VAL A 32 0.687 -13.406 0.000 1.00 0.00 O ATOM 473 CB VAL A 32 -0.772 -14.233 2.433 1.00 0.00 C ATOM 474 CG1 VAL A 32 -1.073 -14.856 3.796 1.00 0.00 C ATOM 475 CG2 VAL A 32 -1.597 -12.956 2.265 1.00 0.00 C ATOM 0 H VAL A 32 0.751 -12.238 3.692 1.00 0.00 H new ATOM 0 HA VAL A 32 1.296 -14.813 2.252 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.030 -14.940 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.134 -15.098 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.486 -15.766 3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.814 -14.149 4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.658 -13.197 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.338 -12.249 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.383 -12.510 1.294 1.00 0.00 H new ATOM 485 N ALA A 33 1.514 -11.851 1.307 1.00 0.00 N ATOM 486 CA ALA A 33 1.787 -10.962 0.141 1.00 0.00 C ATOM 487 C ALA A 33 3.070 -10.168 0.390 1.00 0.00 C ATOM 488 O ALA A 33 3.039 -9.055 0.870 1.00 0.00 O ATOM 489 CB ALA A 33 0.616 -9.995 -0.050 1.00 0.00 C ATOM 0 H ALA A 33 1.778 -11.471 2.216 1.00 0.00 H new ATOM 0 HA ALA A 33 1.906 -11.569 -0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.816 -9.345 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.298 -10.561 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.495 -9.389 0.848 1.00 0.00 H new ATOM 495 N THR A 34 4.201 -10.730 0.068 1.00 0.00 N ATOM 496 CA THR A 34 5.479 -10.001 0.294 1.00 0.00 C ATOM 497 C THR A 34 5.997 -9.428 -1.026 1.00 0.00 C ATOM 498 O THR A 34 6.582 -10.125 -1.832 1.00 0.00 O ATOM 499 CB THR A 34 6.517 -10.964 0.872 1.00 0.00 C ATOM 500 OG1 THR A 34 5.860 -11.949 1.657 1.00 0.00 O ATOM 501 CG2 THR A 34 7.507 -10.189 1.741 1.00 0.00 C ATOM 0 H THR A 34 4.296 -11.660 -0.341 1.00 0.00 H new ATOM 0 HA THR A 34 5.305 -9.183 0.993 1.00 0.00 H new ATOM 0 HB THR A 34 7.057 -11.449 0.059 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.523 -12.568 2.027 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.246 -10.877 2.152 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.010 -9.435 1.135 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.972 -9.702 2.556 1.00 0.00 H new ATOM 509 N ILE A 35 5.800 -8.158 -1.243 1.00 0.00 N ATOM 510 CA ILE A 35 6.296 -7.523 -2.504 1.00 0.00 C ATOM 511 C ILE A 35 7.560 -6.727 -2.192 1.00 0.00 C ATOM 512 O ILE A 35 7.755 -6.272 -1.089 1.00 0.00 O ATOM 513 CB ILE A 35 5.237 -6.580 -3.082 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.384 -6.002 -1.951 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.337 -7.351 -4.049 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.322 -5.071 -2.537 1.00 0.00 C ATOM 0 H ILE A 35 5.317 -7.528 -0.603 1.00 0.00 H new ATOM 0 HA ILE A 35 6.509 -8.302 -3.236 1.00 0.00 H new ATOM 0 HB ILE A 35 5.734 -5.768 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.908 -6.808 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.014 -5.456 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.584 -6.679 -4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.940 -7.759 -4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.845 -8.165 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.714 -4.659 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.808 -4.258 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.685 -5.631 -3.222 1.00 0.00 H new ATOM 528 N LYS A 36 8.424 -6.546 -3.144 1.00 0.00 N ATOM 529 CA LYS A 36 9.663 -5.773 -2.860 1.00 0.00 C ATOM 530 C LYS A 36 9.364 -4.277 -2.974 1.00 0.00 C ATOM 531 O LYS A 36 8.256 -3.877 -3.273 1.00 0.00 O ATOM 532 CB LYS A 36 10.750 -6.161 -3.860 1.00 0.00 C ATOM 533 CG LYS A 36 12.112 -6.158 -3.165 1.00 0.00 C ATOM 534 CD LYS A 36 13.157 -6.783 -4.090 1.00 0.00 C ATOM 535 CE LYS A 36 14.141 -7.608 -3.260 1.00 0.00 C ATOM 536 NZ LYS A 36 14.071 -9.035 -3.682 1.00 0.00 N ATOM 0 H LYS A 36 8.331 -6.895 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 36 10.010 -5.997 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.543 -7.149 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.756 -5.461 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.400 -5.138 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.057 -6.717 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.670 -7.416 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.689 -6.003 -4.636 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.154 -7.228 -3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.903 -7.519 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.740 -9.597 -3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.106 -9.394 -3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.318 -9.112 -4.689 1.00 0.00 H new ATOM 550 N ARG A 37 10.342 -3.443 -2.737 1.00 0.00 N ATOM 551 CA ARG A 37 10.106 -1.975 -2.830 1.00 0.00 C ATOM 552 C ARG A 37 9.636 -1.617 -4.238 1.00 0.00 C ATOM 553 O ARG A 37 9.134 -0.540 -4.477 1.00 0.00 O ATOM 554 CB ARG A 37 11.401 -1.221 -2.513 1.00 0.00 C ATOM 555 CG ARG A 37 12.444 -1.507 -3.595 1.00 0.00 C ATOM 556 CD ARG A 37 13.577 -0.483 -3.492 1.00 0.00 C ATOM 557 NE ARG A 37 13.727 0.231 -4.792 1.00 0.00 N ATOM 558 CZ ARG A 37 14.762 1.000 -4.999 1.00 0.00 C ATOM 559 NH1 ARG A 37 14.930 2.078 -4.281 1.00 0.00 N ATOM 560 NH2 ARG A 37 15.629 0.692 -5.925 1.00 0.00 N ATOM 0 H ARG A 37 11.292 -3.716 -2.484 1.00 0.00 H new ATOM 0 HA ARG A 37 9.339 -1.690 -2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.205 -0.150 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.781 -1.526 -1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.839 -2.516 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.983 -1.458 -4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.364 0.231 -2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.510 -0.983 -3.231 1.00 0.00 H new ATOM 0 HE ARG A 37 13.021 0.119 -5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.253 2.320 -3.558 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.739 2.678 -4.443 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.498 -0.149 -6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.437 1.293 -6.087 1.00 0.00 H new ATOM 574 N ASP A 38 9.791 -2.512 -5.169 1.00 0.00 N ATOM 575 CA ASP A 38 9.352 -2.225 -6.562 1.00 0.00 C ATOM 576 C ASP A 38 7.854 -1.902 -6.570 1.00 0.00 C ATOM 577 O ASP A 38 7.409 -0.976 -7.223 1.00 0.00 O ATOM 578 CB ASP A 38 9.617 -3.451 -7.439 1.00 0.00 C ATOM 579 CG ASP A 38 10.481 -3.047 -8.635 1.00 0.00 C ATOM 580 OD1 ASP A 38 9.919 -2.621 -9.630 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.691 -3.172 -8.535 1.00 0.00 O ATOM 0 H ASP A 38 10.204 -3.434 -5.026 1.00 0.00 H new ATOM 0 HA ASP A 38 9.907 -1.372 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.120 -4.224 -6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.674 -3.874 -7.785 1.00 0.00 H new ATOM 586 N LYS A 39 7.072 -2.656 -5.845 1.00 0.00 N ATOM 587 CA LYS A 39 5.607 -2.397 -5.811 1.00 0.00 C ATOM 588 C LYS A 39 5.321 -1.252 -4.853 1.00 0.00 C ATOM 589 O LYS A 39 4.605 -0.323 -5.170 1.00 0.00 O ATOM 590 CB LYS A 39 4.902 -3.637 -5.295 1.00 0.00 C ATOM 591 CG LYS A 39 4.623 -4.596 -6.455 1.00 0.00 C ATOM 592 CD LYS A 39 5.569 -5.796 -6.362 1.00 0.00 C ATOM 593 CE LYS A 39 6.547 -5.771 -7.539 1.00 0.00 C ATOM 594 NZ LYS A 39 7.730 -6.618 -7.217 1.00 0.00 N ATOM 0 H LYS A 39 7.387 -3.441 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 39 5.257 -2.145 -6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.518 -4.130 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.967 -3.359 -4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.587 -4.932 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.761 -4.083 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.117 -5.768 -5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.997 -6.724 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.057 -6.138 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.863 -4.748 -7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.396 -6.602 -8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.201 -6.248 -6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.420 -7.596 -7.044 1.00 0.00 H new ATOM 608 N VAL A 40 5.890 -1.300 -3.685 1.00 0.00 N ATOM 609 CA VAL A 40 5.665 -0.203 -2.717 1.00 0.00 C ATOM 610 C VAL A 40 6.297 1.054 -3.304 1.00 0.00 C ATOM 611 O VAL A 40 6.033 2.161 -2.878 1.00 0.00 O ATOM 612 CB VAL A 40 6.333 -0.547 -1.385 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.267 0.664 -0.453 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.605 -1.729 -0.739 1.00 0.00 C ATOM 0 H VAL A 40 6.500 -2.051 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 40 4.600 -0.053 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 40 7.375 -0.814 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.743 0.419 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.786 1.505 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.225 0.932 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.081 -1.975 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.563 -1.463 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.653 -2.592 -1.403 1.00 0.00 H new ATOM 624 N ARG A 41 7.115 0.882 -4.308 1.00 0.00 N ATOM 625 CA ARG A 41 7.752 2.060 -4.959 1.00 0.00 C ATOM 626 C ARG A 41 6.700 2.762 -5.812 1.00 0.00 C ATOM 627 O ARG A 41 6.339 3.897 -5.567 1.00 0.00 O ATOM 628 CB ARG A 41 8.912 1.606 -5.851 1.00 0.00 C ATOM 629 CG ARG A 41 9.343 2.759 -6.762 1.00 0.00 C ATOM 630 CD ARG A 41 10.812 2.581 -7.149 1.00 0.00 C ATOM 631 NE ARG A 41 11.438 3.918 -7.351 1.00 0.00 N ATOM 632 CZ ARG A 41 11.072 4.665 -8.356 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.031 5.443 -8.244 1.00 0.00 N ATOM 634 NH2 ARG A 41 11.746 4.632 -9.473 1.00 0.00 N ATOM 0 H ARG A 41 7.369 -0.023 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 41 8.141 2.737 -4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.752 1.282 -5.236 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.608 0.749 -6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.720 2.782 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.203 3.712 -6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.341 2.034 -6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.890 1.990 -8.061 1.00 0.00 H new ATOM 0 HE ARG A 41 12.153 4.249 -6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.504 5.467 -7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.744 6.027 -9.029 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.559 4.022 -9.560 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.460 5.216 -10.259 1.00 0.00 H new ATOM 648 N GLU A 42 6.191 2.085 -6.805 1.00 0.00 N ATOM 649 CA GLU A 42 5.142 2.701 -7.663 1.00 0.00 C ATOM 650 C GLU A 42 3.923 2.986 -6.793 1.00 0.00 C ATOM 651 O GLU A 42 3.206 3.948 -6.986 1.00 0.00 O ATOM 652 CB GLU A 42 4.752 1.736 -8.784 1.00 0.00 C ATOM 653 CG GLU A 42 5.695 1.923 -9.974 1.00 0.00 C ATOM 654 CD GLU A 42 5.672 3.385 -10.423 1.00 0.00 C ATOM 655 OE1 GLU A 42 4.747 3.754 -11.129 1.00 0.00 O ATOM 656 OE2 GLU A 42 6.578 4.112 -10.053 1.00 0.00 O ATOM 0 H GLU A 42 6.456 1.133 -7.058 1.00 0.00 H new ATOM 0 HA GLU A 42 5.518 3.622 -8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.802 0.708 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.722 1.917 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.709 1.633 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.392 1.275 -10.796 1.00 0.00 H new ATOM 663 N ILE A 43 3.693 2.140 -5.831 1.00 0.00 N ATOM 664 CA ILE A 43 2.532 2.319 -4.923 1.00 0.00 C ATOM 665 C ILE A 43 2.775 3.527 -4.014 1.00 0.00 C ATOM 666 O ILE A 43 1.907 4.355 -3.822 1.00 0.00 O ATOM 667 CB ILE A 43 2.382 1.052 -4.077 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.761 -0.059 -4.931 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.484 1.330 -2.866 1.00 0.00 C ATOM 670 CD1 ILE A 43 0.444 0.432 -5.536 1.00 0.00 C ATOM 0 H ILE A 43 4.269 1.321 -5.634 1.00 0.00 H new ATOM 0 HA ILE A 43 1.623 2.491 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 43 3.365 0.739 -3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.450 -0.350 -5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.584 -0.945 -4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.384 0.422 -2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.929 2.116 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.500 1.649 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.005 -0.360 -6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.246 0.701 -4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.634 1.305 -6.161 1.00 0.00 H new ATOM 682 N ALA A 44 3.949 3.635 -3.454 1.00 0.00 N ATOM 683 CA ALA A 44 4.244 4.790 -2.560 1.00 0.00 C ATOM 684 C ALA A 44 4.156 6.090 -3.362 1.00 0.00 C ATOM 685 O ALA A 44 3.538 7.049 -2.942 1.00 0.00 O ATOM 686 CB ALA A 44 5.653 4.639 -1.980 1.00 0.00 C ATOM 0 H ALA A 44 4.716 2.974 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 44 3.519 4.816 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.870 5.484 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.714 3.713 -1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.380 4.613 -2.792 1.00 0.00 H new ATOM 692 N GLU A 45 4.768 6.131 -4.515 1.00 0.00 N ATOM 693 CA GLU A 45 4.715 7.370 -5.341 1.00 0.00 C ATOM 694 C GLU A 45 3.260 7.707 -5.657 1.00 0.00 C ATOM 695 O GLU A 45 2.884 8.858 -5.754 1.00 0.00 O ATOM 696 CB GLU A 45 5.482 7.150 -6.647 1.00 0.00 C ATOM 697 CG GLU A 45 6.874 7.774 -6.538 1.00 0.00 C ATOM 698 CD GLU A 45 7.070 8.790 -7.665 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.955 8.398 -8.815 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.331 9.941 -7.360 1.00 0.00 O ATOM 0 H GLU A 45 5.301 5.361 -4.919 1.00 0.00 H new ATOM 0 HA GLU A 45 5.169 8.193 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.566 6.083 -6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.937 7.595 -7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.990 8.262 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.637 6.998 -6.597 1.00 0.00 H new ATOM 707 N LEU A 46 2.439 6.711 -5.814 1.00 0.00 N ATOM 708 CA LEU A 46 1.003 6.970 -6.120 1.00 0.00 C ATOM 709 C LEU A 46 0.352 7.667 -4.926 1.00 0.00 C ATOM 710 O LEU A 46 -0.056 8.807 -5.008 1.00 0.00 O ATOM 711 CB LEU A 46 0.290 5.646 -6.399 1.00 0.00 C ATOM 712 CG LEU A 46 0.046 5.504 -7.902 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.370 4.067 -8.220 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.069 6.461 -8.330 1.00 0.00 C ATOM 0 H LEU A 46 2.698 5.727 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 46 0.925 7.608 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.893 4.813 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.657 5.611 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 46 0.962 5.745 -8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.544 3.967 -9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.422 3.383 -7.915 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.285 3.825 -7.680 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.244 6.360 -9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.984 6.219 -7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.775 7.486 -8.105 1.00 0.00 H new ATOM 726 N LYS A 47 0.251 6.991 -3.813 1.00 0.00 N ATOM 727 CA LYS A 47 -0.366 7.619 -2.608 1.00 0.00 C ATOM 728 C LYS A 47 0.652 8.525 -1.900 1.00 0.00 C ATOM 729 O LYS A 47 0.469 8.899 -0.761 1.00 0.00 O ATOM 730 CB LYS A 47 -0.829 6.524 -1.643 1.00 0.00 C ATOM 731 CG LYS A 47 -1.670 7.147 -0.523 1.00 0.00 C ATOM 732 CD LYS A 47 -3.153 6.960 -0.836 1.00 0.00 C ATOM 733 CE LYS A 47 -3.938 8.176 -0.347 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.427 7.926 1.038 1.00 0.00 N ATOM 0 H LYS A 47 0.569 6.030 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.219 8.221 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.415 5.777 -2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.034 6.009 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.427 6.680 0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.439 8.208 -0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.295 6.831 -1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.526 6.056 -0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.305 9.063 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.780 8.371 -1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.509 8.830 1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.358 7.465 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.755 7.308 1.537 1.00 0.00 H new ATOM 748 N MET A 48 1.729 8.876 -2.544 1.00 0.00 N ATOM 749 CA MET A 48 2.739 9.737 -1.869 1.00 0.00 C ATOM 750 C MET A 48 2.176 11.149 -1.658 1.00 0.00 C ATOM 751 O MET A 48 2.184 11.651 -0.551 1.00 0.00 O ATOM 752 CB MET A 48 4.005 9.811 -2.727 1.00 0.00 C ATOM 753 CG MET A 48 5.224 9.444 -1.877 1.00 0.00 C ATOM 754 SD MET A 48 6.032 10.956 -1.297 1.00 0.00 S ATOM 755 CE MET A 48 7.468 10.165 -0.530 1.00 0.00 C ATOM 0 H MET A 48 1.953 8.606 -3.502 1.00 0.00 H new ATOM 0 HA MET A 48 2.981 9.305 -0.898 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.922 9.131 -3.575 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.122 10.815 -3.134 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.918 8.834 -1.027 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.923 8.847 -2.463 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.408 10.273 0.553 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.482 9.106 -0.789 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.381 10.638 -0.892 1.00 0.00 H new ATOM 765 N PRO A 49 1.697 11.748 -2.717 1.00 0.00 N ATOM 766 CA PRO A 49 1.118 13.100 -2.659 1.00 0.00 C ATOM 767 C PRO A 49 -0.275 13.039 -2.030 1.00 0.00 C ATOM 768 O PRO A 49 -1.264 13.408 -2.632 1.00 0.00 O ATOM 769 CB PRO A 49 1.050 13.530 -4.127 1.00 0.00 C ATOM 770 CG PRO A 49 1.064 12.228 -4.960 1.00 0.00 C ATOM 771 CD PRO A 49 1.682 11.140 -4.061 1.00 0.00 C ATOM 0 HA PRO A 49 1.697 13.798 -2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.146 14.107 -4.322 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.896 14.166 -4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.055 11.952 -5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.648 12.357 -5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.089 10.225 -4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.687 10.875 -4.390 1.00 0.00 H new ATOM 779 N ASP A 50 -0.350 12.565 -0.816 1.00 0.00 N ATOM 780 CA ASP A 50 -1.663 12.462 -0.125 1.00 0.00 C ATOM 781 C ASP A 50 -1.500 11.600 1.129 1.00 0.00 C ATOM 782 O ASP A 50 -2.232 11.737 2.089 1.00 0.00 O ATOM 783 CB ASP A 50 -2.686 11.815 -1.063 1.00 0.00 C ATOM 784 CG ASP A 50 -3.767 12.837 -1.423 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.481 14.021 -1.361 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.864 12.416 -1.755 1.00 0.00 O ATOM 0 H ASP A 50 0.450 12.243 -0.271 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.012 13.456 0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.192 11.459 -1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.137 10.947 -0.583 1.00 0.00 H new ATOM 791 N LEU A 51 -0.540 10.712 1.128 1.00 0.00 N ATOM 792 CA LEU A 51 -0.325 9.842 2.318 1.00 0.00 C ATOM 793 C LEU A 51 0.615 10.540 3.301 1.00 0.00 C ATOM 794 O LEU A 51 1.452 9.916 3.920 1.00 0.00 O ATOM 795 CB LEU A 51 0.302 8.517 1.877 1.00 0.00 C ATOM 796 CG LEU A 51 0.216 7.504 3.020 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.179 6.877 3.042 1.00 0.00 C ATOM 798 CD2 LEU A 51 1.264 6.408 2.811 1.00 0.00 C ATOM 0 H LEU A 51 0.104 10.553 0.353 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.283 9.651 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.215 8.133 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.343 8.672 1.592 1.00 0.00 H new ATOM 0 HG LEU A 51 0.403 8.009 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.241 6.155 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.926 7.657 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.366 6.372 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.203 5.686 3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.078 5.903 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.259 6.854 2.795 1.00 0.00 H new ATOM 810 N ASN A 52 0.478 11.831 3.448 1.00 0.00 N ATOM 811 CA ASN A 52 1.362 12.575 4.392 1.00 0.00 C ATOM 812 C ASN A 52 2.793 12.045 4.279 1.00 0.00 C ATOM 813 O ASN A 52 3.517 11.967 5.251 1.00 0.00 O ATOM 814 CB ASN A 52 0.856 12.379 5.823 1.00 0.00 C ATOM 815 CG ASN A 52 1.465 13.447 6.733 1.00 0.00 C ATOM 816 OD1 ASN A 52 2.013 14.424 6.262 1.00 0.00 O ATOM 817 ND2 ASN A 52 1.392 13.300 8.028 1.00 0.00 N ATOM 0 H ASN A 52 -0.208 12.403 2.955 1.00 0.00 H new ATOM 0 HA ASN A 52 1.349 13.636 4.143 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.232 12.444 5.847 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.124 11.385 6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.795 14.005 8.645 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.932 12.480 8.423 1.00 0.00 H new ATOM 824 N ALA A 53 3.203 11.668 3.097 1.00 0.00 N ATOM 825 CA ALA A 53 4.583 11.131 2.924 1.00 0.00 C ATOM 826 C ALA A 53 5.567 12.278 2.693 1.00 0.00 C ATOM 827 O ALA A 53 5.194 13.431 2.631 1.00 0.00 O ATOM 828 CB ALA A 53 4.614 10.187 1.719 1.00 0.00 C ATOM 0 H ALA A 53 2.643 11.709 2.246 1.00 0.00 H new ATOM 0 HA ALA A 53 4.870 10.589 3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.622 9.793 1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.921 9.362 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.321 10.732 0.822 1.00 0.00 H new ATOM 834 N ALA A 54 6.828 11.963 2.566 1.00 0.00 N ATOM 835 CA ALA A 54 7.847 13.027 2.339 1.00 0.00 C ATOM 836 C ALA A 54 8.951 12.485 1.429 1.00 0.00 C ATOM 837 O ALA A 54 9.444 13.170 0.555 1.00 0.00 O ATOM 838 CB ALA A 54 8.454 13.445 3.681 1.00 0.00 C ATOM 0 H ALA A 54 7.197 11.013 2.610 1.00 0.00 H new ATOM 0 HA ALA A 54 7.376 13.890 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.199 14.223 3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.668 13.827 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.927 12.583 4.151 1.00 0.00 H new ATOM 844 N SER A 55 9.338 11.254 1.626 1.00 0.00 N ATOM 845 CA SER A 55 10.399 10.656 0.777 1.00 0.00 C ATOM 846 C SER A 55 10.063 9.187 0.529 1.00 0.00 C ATOM 847 O SER A 55 9.341 8.568 1.287 1.00 0.00 O ATOM 848 CB SER A 55 11.747 10.758 1.493 1.00 0.00 C ATOM 849 OG SER A 55 12.681 9.894 0.860 1.00 0.00 O ATOM 0 H SER A 55 8.960 10.636 2.344 1.00 0.00 H new ATOM 0 HA SER A 55 10.457 11.189 -0.172 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.109 11.786 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.636 10.486 2.543 1.00 0.00 H new ATOM 0 HG SER A 55 13.547 9.958 1.315 1.00 0.00 H new ATOM 855 N ILE A 56 10.572 8.627 -0.526 1.00 0.00 N ATOM 856 CA ILE A 56 10.277 7.197 -0.827 1.00 0.00 C ATOM 857 C ILE A 56 10.439 6.360 0.445 1.00 0.00 C ATOM 858 O ILE A 56 9.496 5.774 0.939 1.00 0.00 O ATOM 859 CB ILE A 56 11.242 6.680 -1.898 1.00 0.00 C ATOM 860 CG1 ILE A 56 11.456 7.755 -2.970 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.655 5.426 -2.549 1.00 0.00 C ATOM 862 CD1 ILE A 56 10.111 8.364 -3.369 1.00 0.00 C ATOM 0 H ILE A 56 11.181 9.095 -1.197 1.00 0.00 H new ATOM 0 HA ILE A 56 9.253 7.115 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 56 12.198 6.440 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.119 8.532 -2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.942 7.319 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.341 5.057 -3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.508 4.657 -1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.697 5.669 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.269 9.127 -4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.462 7.584 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.642 8.816 -2.495 1.00 0.00 H new ATOM 874 N GLU A 57 11.629 6.293 0.975 1.00 0.00 N ATOM 875 CA GLU A 57 11.855 5.488 2.210 1.00 0.00 C ATOM 876 C GLU A 57 10.865 5.908 3.299 1.00 0.00 C ATOM 877 O GLU A 57 10.347 5.087 4.031 1.00 0.00 O ATOM 878 CB GLU A 57 13.284 5.714 2.709 1.00 0.00 C ATOM 879 CG GLU A 57 13.763 4.475 3.466 1.00 0.00 C ATOM 880 CD GLU A 57 14.035 3.341 2.476 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.769 3.571 1.530 1.00 0.00 O ATOM 882 OE2 GLU A 57 13.504 2.262 2.683 1.00 0.00 O ATOM 0 H GLU A 57 12.456 6.762 0.606 1.00 0.00 H new ATOM 0 HA GLU A 57 11.707 4.433 1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.946 5.917 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.319 6.587 3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.669 4.707 4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.010 4.166 4.191 1.00 0.00 H new ATOM 889 N ALA A 58 10.599 7.180 3.421 1.00 0.00 N ATOM 890 CA ALA A 58 9.647 7.646 4.471 1.00 0.00 C ATOM 891 C ALA A 58 8.246 7.121 4.158 1.00 0.00 C ATOM 892 O ALA A 58 7.589 6.534 5.001 1.00 0.00 O ATOM 893 CB ALA A 58 9.623 9.175 4.495 1.00 0.00 C ATOM 0 H ALA A 58 10.999 7.917 2.840 1.00 0.00 H new ATOM 0 HA ALA A 58 9.967 7.271 5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.928 9.516 5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.622 9.551 4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.303 9.549 3.523 1.00 0.00 H new ATOM 899 N ALA A 59 7.781 7.318 2.955 1.00 0.00 N ATOM 900 CA ALA A 59 6.425 6.821 2.599 1.00 0.00 C ATOM 901 C ALA A 59 6.385 5.310 2.811 1.00 0.00 C ATOM 902 O ALA A 59 5.382 4.749 3.198 1.00 0.00 O ATOM 903 CB ALA A 59 6.127 7.147 1.134 1.00 0.00 C ATOM 0 H ALA A 59 8.280 7.800 2.207 1.00 0.00 H new ATOM 0 HA ALA A 59 5.675 7.302 3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.133 6.782 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.167 8.226 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.868 6.665 0.496 1.00 0.00 H new ATOM 909 N MET A 60 7.482 4.654 2.567 1.00 0.00 N ATOM 910 CA MET A 60 7.539 3.180 2.758 1.00 0.00 C ATOM 911 C MET A 60 7.247 2.854 4.222 1.00 0.00 C ATOM 912 O MET A 60 6.562 1.901 4.530 1.00 0.00 O ATOM 913 CB MET A 60 8.934 2.671 2.389 1.00 0.00 C ATOM 914 CG MET A 60 9.122 2.765 0.875 1.00 0.00 C ATOM 915 SD MET A 60 10.870 2.530 0.469 1.00 0.00 S ATOM 916 CE MET A 60 10.656 1.088 -0.600 1.00 0.00 C ATOM 0 H MET A 60 8.350 5.079 2.240 1.00 0.00 H new ATOM 0 HA MET A 60 6.799 2.697 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.696 3.261 2.899 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.056 1.639 2.719 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.517 2.009 0.375 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.781 3.736 0.515 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.614 0.585 -0.728 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.943 0.401 -0.145 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.282 1.408 -1.572 1.00 0.00 H new ATOM 926 N ARG A 61 7.754 3.644 5.129 1.00 0.00 N ATOM 927 CA ARG A 61 7.490 3.377 6.568 1.00 0.00 C ATOM 928 C ARG A 61 5.983 3.455 6.810 1.00 0.00 C ATOM 929 O ARG A 61 5.376 2.532 7.316 1.00 0.00 O ATOM 930 CB ARG A 61 8.203 4.421 7.430 1.00 0.00 C ATOM 931 CG ARG A 61 9.065 3.713 8.476 1.00 0.00 C ATOM 932 CD ARG A 61 8.866 4.378 9.839 1.00 0.00 C ATOM 933 NE ARG A 61 10.113 5.094 10.229 1.00 0.00 N ATOM 934 CZ ARG A 61 10.046 6.307 10.704 1.00 0.00 C ATOM 935 NH1 ARG A 61 9.989 7.325 9.887 1.00 0.00 N ATOM 936 NH2 ARG A 61 10.038 6.504 11.994 1.00 0.00 N ATOM 0 H ARG A 61 8.337 4.459 4.935 1.00 0.00 H new ATOM 0 HA ARG A 61 7.861 2.387 6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.824 5.062 6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.472 5.065 7.920 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.795 2.658 8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.115 3.758 8.188 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.031 5.077 9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.615 3.627 10.589 1.00 0.00 H new ATOM 0 HE ARG A 61 11.018 4.636 10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.997 7.171 8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.937 8.274 10.257 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.084 5.709 12.632 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.986 7.453 12.365 1.00 0.00 H new ATOM 950 N MET A 62 5.373 4.547 6.441 1.00 0.00 N ATOM 951 CA MET A 62 3.901 4.678 6.639 1.00 0.00 C ATOM 952 C MET A 62 3.177 3.751 5.659 1.00 0.00 C ATOM 953 O MET A 62 2.056 3.337 5.888 1.00 0.00 O ATOM 954 CB MET A 62 3.480 6.126 6.383 1.00 0.00 C ATOM 955 CG MET A 62 3.619 6.933 7.675 1.00 0.00 C ATOM 956 SD MET A 62 4.477 8.489 7.323 1.00 0.00 S ATOM 957 CE MET A 62 3.272 9.151 6.148 1.00 0.00 C ATOM 0 H MET A 62 5.828 5.353 6.012 1.00 0.00 H new ATOM 0 HA MET A 62 3.641 4.403 7.661 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.100 6.563 5.600 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.449 6.159 6.030 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.635 7.135 8.098 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.173 6.359 8.417 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.763 9.346 5.195 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.471 8.427 6.002 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.855 10.079 6.538 1.00 0.00 H new ATOM 967 N ILE A 63 3.810 3.427 4.566 1.00 0.00 N ATOM 968 CA ILE A 63 3.174 2.529 3.560 1.00 0.00 C ATOM 969 C ILE A 63 3.227 1.082 4.063 1.00 0.00 C ATOM 970 O ILE A 63 2.224 0.399 4.120 1.00 0.00 O ATOM 971 CB ILE A 63 3.931 2.667 2.226 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.357 3.851 1.446 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.777 1.394 1.387 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.941 3.514 0.975 1.00 0.00 C ATOM 0 H ILE A 63 4.748 3.748 4.324 1.00 0.00 H new ATOM 0 HA ILE A 63 2.130 2.805 3.410 1.00 0.00 H new ATOM 0 HB ILE A 63 4.989 2.827 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.340 4.741 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.992 4.078 0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.318 1.509 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.182 0.544 1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.721 1.221 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.532 4.358 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.971 2.635 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.309 3.308 1.839 1.00 0.00 H new ATOM 986 N GLU A 64 4.386 0.610 4.427 1.00 0.00 N ATOM 987 CA GLU A 64 4.497 -0.790 4.922 1.00 0.00 C ATOM 988 C GLU A 64 3.652 -0.953 6.186 1.00 0.00 C ATOM 989 O GLU A 64 2.847 -1.856 6.295 1.00 0.00 O ATOM 990 CB GLU A 64 5.960 -1.100 5.243 1.00 0.00 C ATOM 991 CG GLU A 64 6.275 -2.545 4.852 1.00 0.00 C ATOM 992 CD GLU A 64 7.089 -3.212 5.964 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.286 -2.579 6.988 1.00 0.00 O ATOM 994 OE2 GLU A 64 7.504 -4.343 5.770 1.00 0.00 O ATOM 0 H GLU A 64 5.261 1.133 4.403 1.00 0.00 H new ATOM 0 HA GLU A 64 4.138 -1.477 4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.614 -0.415 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.149 -0.950 6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.350 -3.097 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.833 -2.566 3.916 1.00 0.00 H new ATOM 1001 N GLY A 65 3.828 -0.085 7.146 1.00 0.00 N ATOM 1002 CA GLY A 65 3.034 -0.193 8.403 1.00 0.00 C ATOM 1003 C GLY A 65 1.548 -0.320 8.064 1.00 0.00 C ATOM 1004 O GLY A 65 0.762 -0.810 8.850 1.00 0.00 O ATOM 0 H GLY A 65 4.487 0.693 7.114 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.361 -1.059 8.978 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.201 0.685 9.027 1.00 0.00 H new ATOM 1008 N THR A 66 1.157 0.119 6.899 1.00 0.00 N ATOM 1009 CA THR A 66 -0.279 0.023 6.510 1.00 0.00 C ATOM 1010 C THR A 66 -0.569 -1.377 5.963 1.00 0.00 C ATOM 1011 O THR A 66 -1.473 -2.055 6.411 1.00 0.00 O ATOM 1012 CB THR A 66 -0.582 1.068 5.430 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.592 2.362 6.016 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.949 0.781 4.804 1.00 0.00 C ATOM 0 H THR A 66 1.769 0.540 6.200 1.00 0.00 H new ATOM 0 HA THR A 66 -0.906 0.207 7.382 1.00 0.00 H new ATOM 0 HB THR A 66 0.185 1.022 4.657 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.313 2.738 5.994 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.161 1.526 4.037 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.942 -0.212 4.354 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.719 0.825 5.575 1.00 0.00 H new ATOM 1022 N ALA A 67 0.190 -1.813 4.996 1.00 0.00 N ATOM 1023 CA ALA A 67 -0.038 -3.166 4.411 1.00 0.00 C ATOM 1024 C ALA A 67 -0.008 -4.231 5.513 1.00 0.00 C ATOM 1025 O ALA A 67 -0.667 -5.246 5.422 1.00 0.00 O ATOM 1026 CB ALA A 67 1.064 -3.467 3.395 1.00 0.00 C ATOM 0 H ALA A 67 0.962 -1.289 4.584 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.013 -3.183 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.902 -4.455 2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.043 -2.718 2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.034 -3.443 3.892 1.00 0.00 H new ATOM 1032 N ARG A 68 0.761 -4.015 6.545 1.00 0.00 N ATOM 1033 CA ARG A 68 0.835 -5.028 7.637 1.00 0.00 C ATOM 1034 C ARG A 68 -0.559 -5.270 8.220 1.00 0.00 C ATOM 1035 O ARG A 68 -0.826 -6.299 8.805 1.00 0.00 O ATOM 1036 CB ARG A 68 1.767 -4.525 8.740 1.00 0.00 C ATOM 1037 CG ARG A 68 3.205 -4.489 8.218 1.00 0.00 C ATOM 1038 CD ARG A 68 4.179 -4.468 9.398 1.00 0.00 C ATOM 1039 NE ARG A 68 5.578 -4.491 8.887 1.00 0.00 N ATOM 1040 CZ ARG A 68 6.241 -5.615 8.850 1.00 0.00 C ATOM 1041 NH1 ARG A 68 5.602 -6.754 8.897 1.00 0.00 N ATOM 1042 NH2 ARG A 68 7.543 -5.602 8.767 1.00 0.00 N ATOM 0 H ARG A 68 1.339 -3.185 6.680 1.00 0.00 H new ATOM 0 HA ARG A 68 1.221 -5.963 7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.461 -3.530 9.063 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.702 -5.177 9.611 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.397 -5.359 7.591 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.354 -3.608 7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.016 -3.576 10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.002 -5.328 10.045 1.00 0.00 H new ATOM 0 HE ARG A 68 6.018 -3.629 8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.584 -6.765 8.963 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.121 -7.632 8.868 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.043 -4.714 8.731 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.061 -6.480 8.738 1.00 0.00 H new ATOM 1056 N SER A 69 -1.454 -4.333 8.062 1.00 0.00 N ATOM 1057 CA SER A 69 -2.827 -4.523 8.610 1.00 0.00 C ATOM 1058 C SER A 69 -3.610 -5.481 7.706 1.00 0.00 C ATOM 1059 O SER A 69 -4.740 -5.829 7.986 1.00 0.00 O ATOM 1060 CB SER A 69 -3.545 -3.174 8.666 1.00 0.00 C ATOM 1061 OG SER A 69 -3.249 -2.536 9.902 1.00 0.00 O ATOM 0 H SER A 69 -1.295 -3.448 7.580 1.00 0.00 H new ATOM 0 HA SER A 69 -2.762 -4.942 9.614 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.228 -2.545 7.834 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.621 -3.317 8.566 1.00 0.00 H new ATOM 0 HG SER A 69 -3.706 -1.670 9.941 1.00 0.00 H new ATOM 1067 N MET A 70 -3.017 -5.908 6.624 1.00 0.00 N ATOM 1068 CA MET A 70 -3.725 -6.840 5.702 1.00 0.00 C ATOM 1069 C MET A 70 -2.891 -8.102 5.518 1.00 0.00 C ATOM 1070 O MET A 70 -3.387 -9.208 5.590 1.00 0.00 O ATOM 1071 CB MET A 70 -3.896 -6.176 4.340 1.00 0.00 C ATOM 1072 CG MET A 70 -4.862 -4.996 4.461 1.00 0.00 C ATOM 1073 SD MET A 70 -4.780 -3.996 2.954 1.00 0.00 S ATOM 1074 CE MET A 70 -5.645 -5.157 1.867 1.00 0.00 C ATOM 0 H MET A 70 -2.072 -5.651 6.339 1.00 0.00 H new ATOM 0 HA MET A 70 -4.698 -7.089 6.125 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.931 -5.832 3.968 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.277 -6.898 3.618 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.878 -5.358 4.616 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.605 -4.388 5.329 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.995 -5.431 1.036 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.912 -6.052 2.429 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.550 -4.688 1.481 1.00 0.00 H new ATOM 1084 N GLY A 71 -1.623 -7.940 5.272 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.751 -9.125 5.074 1.00 0.00 C ATOM 1086 C GLY A 71 0.196 -8.896 3.890 1.00 0.00 C ATOM 1087 O GLY A 71 0.914 -9.788 3.480 1.00 0.00 O ATOM 0 H GLY A 71 -1.154 -7.037 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.174 -9.316 5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.362 -10.009 4.894 1.00 0.00 H new ATOM 1091 N ILE A 72 0.213 -7.712 3.336 1.00 0.00 N ATOM 1092 CA ILE A 72 1.122 -7.442 2.187 1.00 0.00 C ATOM 1093 C ILE A 72 2.485 -6.999 2.724 1.00 0.00 C ATOM 1094 O ILE A 72 2.760 -5.824 2.860 1.00 0.00 O ATOM 1095 CB ILE A 72 0.527 -6.338 1.314 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.784 -6.826 0.696 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.514 -5.980 0.200 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.922 -5.895 1.117 1.00 0.00 C ATOM 0 H ILE A 72 -0.363 -6.923 3.630 1.00 0.00 H new ATOM 0 HA ILE A 72 1.240 -8.345 1.588 1.00 0.00 H new ATOM 0 HB ILE A 72 0.334 -5.457 1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.701 -6.848 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.994 -7.845 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.090 -5.193 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.448 -5.631 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.708 -6.861 -0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.857 -6.242 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.010 -5.896 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.711 -4.883 0.771 1.00 0.00 H new ATOM 1110 N VAL A 73 3.336 -7.933 3.037 1.00 0.00 N ATOM 1111 CA VAL A 73 4.677 -7.581 3.577 1.00 0.00 C ATOM 1112 C VAL A 73 5.533 -6.945 2.479 1.00 0.00 C ATOM 1113 O VAL A 73 5.153 -6.902 1.327 1.00 0.00 O ATOM 1114 CB VAL A 73 5.350 -8.856 4.080 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.615 -8.506 4.867 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.376 -9.604 4.991 1.00 0.00 C ATOM 0 H VAL A 73 3.159 -8.933 2.941 1.00 0.00 H new ATOM 0 HA VAL A 73 4.570 -6.867 4.394 1.00 0.00 H new ATOM 0 HB VAL A 73 5.623 -9.481 3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.088 -9.422 5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.308 -7.966 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.352 -7.880 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.847 -10.517 5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.109 -8.970 5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.476 -9.859 4.431 1.00 0.00 H new ATOM 1126 N VAL A 74 6.687 -6.451 2.836 1.00 0.00 N ATOM 1127 CA VAL A 74 7.575 -5.815 1.825 1.00 0.00 C ATOM 1128 C VAL A 74 9.029 -6.169 2.136 1.00 0.00 C ATOM 1129 O VAL A 74 9.455 -6.156 3.273 1.00 0.00 O ATOM 1130 CB VAL A 74 7.391 -4.297 1.868 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.425 -3.622 0.964 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.983 -3.947 1.380 1.00 0.00 C ATOM 0 H VAL A 74 7.053 -6.461 3.788 1.00 0.00 H new ATOM 0 HA VAL A 74 7.319 -6.179 0.830 1.00 0.00 H new ATOM 0 HB VAL A 74 7.526 -3.945 2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.289 -2.541 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.428 -3.872 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.296 -3.971 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.846 -2.866 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.853 -4.302 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.245 -4.423 2.026 1.00 0.00 H new ATOM 1142 N GLU A 75 9.792 -6.492 1.130 1.00 0.00 N ATOM 1143 CA GLU A 75 11.218 -6.857 1.359 1.00 0.00 C ATOM 1144 C GLU A 75 12.121 -5.729 0.861 1.00 0.00 C ATOM 1145 O GLU A 75 12.448 -5.651 -0.307 1.00 0.00 O ATOM 1146 CB GLU A 75 11.541 -8.144 0.596 1.00 0.00 C ATOM 1147 CG GLU A 75 12.133 -9.177 1.558 1.00 0.00 C ATOM 1148 CD GLU A 75 13.382 -8.598 2.224 1.00 0.00 C ATOM 1149 OE1 GLU A 75 14.437 -8.658 1.613 1.00 0.00 O ATOM 1150 OE2 GLU A 75 13.264 -8.105 3.334 1.00 0.00 O ATOM 0 H GLU A 75 9.489 -6.519 0.156 1.00 0.00 H new ATOM 0 HA GLU A 75 11.387 -7.012 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.638 -8.540 0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.247 -7.935 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.397 -9.448 2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.386 -10.089 1.018 1.00 0.00 H new ATOM 1157 N ASP A 76 12.531 -4.855 1.738 1.00 0.00 N ATOM 1158 CA ASP A 76 13.416 -3.735 1.316 1.00 0.00 C ATOM 1159 C ASP A 76 14.836 -4.265 1.108 1.00 0.00 C ATOM 1160 O ASP A 76 15.317 -4.970 1.979 1.00 0.00 O ATOM 1161 CB ASP A 76 13.427 -2.655 2.401 1.00 0.00 C ATOM 1162 CG ASP A 76 12.336 -1.625 2.105 1.00 0.00 C ATOM 1163 OD1 ASP A 76 11.651 -1.786 1.108 1.00 0.00 O ATOM 1164 OD2 ASP A 76 12.205 -0.692 2.879 1.00 0.00 O ATOM 1165 OXT ASP A 76 15.417 -3.957 0.081 1.00 0.00 O ATOM 0 H ASP A 76 12.291 -4.869 2.729 1.00 0.00 H new ATOM 0 HA ASP A 76 13.045 -3.307 0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.261 -3.106 3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.402 -2.169 2.435 1.00 0.00 H new TER 1170 ASP A 76