USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.89) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 20:sc= 0.323 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0259 X(o=-0.026,f=-0.1) USER MOD Single : A 20 HIS : no HD1:sc= -5.03! C(o=-5!,f=-9!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.2 USER MOD Single : A 35 SER OG : rot -140:sc= -1.52! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0922 X(o=-0.092,f=-0.092) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -58:sc= 0.985 USER MOD Single : A 58 LYS NZ :NH3+ 170:sc=-0.00231 (180deg=-0.113) USER MOD Single : A 60 CYS SG : rot 180:sc= -2.68! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.8!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -2.12! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.101 11.257 19.048 1.00 0.00 N ATOM 2 CA GLY A 1 -21.482 12.611 19.017 1.00 0.00 C ATOM 3 C GLY A 1 -19.972 12.555 18.888 1.00 0.00 C ATOM 4 O GLY A 1 -19.406 13.053 17.915 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.133 11.349 19.137 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.873 10.751 18.168 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.730 10.724 19.860 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.894 13.177 18.181 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.746 13.149 19.927 1.00 0.00 H new ATOM 10 N SER A 2 -19.318 11.947 19.873 1.00 0.00 N ATOM 11 CA SER A 2 -17.864 11.827 19.865 1.00 0.00 C ATOM 12 C SER A 2 -17.438 10.370 19.715 1.00 0.00 C ATOM 13 O SER A 2 -16.700 10.020 18.795 1.00 0.00 O ATOM 14 CB SER A 2 -17.275 12.411 21.151 1.00 0.00 C ATOM 15 OG SER A 2 -17.802 13.699 21.417 1.00 0.00 O ATOM 0 H SER A 2 -19.771 11.530 20.686 1.00 0.00 H new ATOM 0 HA SER A 2 -17.484 12.388 19.011 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.491 11.747 21.988 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.190 12.470 21.063 1.00 0.00 H new ATOM 0 HG SER A 2 -17.410 14.048 22.245 1.00 0.00 H new ATOM 21 N MET A 3 -17.905 9.525 20.629 1.00 0.00 N ATOM 22 CA MET A 3 -17.568 8.107 20.601 1.00 0.00 C ATOM 23 C MET A 3 -18.520 7.336 19.690 1.00 0.00 C ATOM 24 O MET A 3 -19.729 7.312 19.915 1.00 0.00 O ATOM 25 CB MET A 3 -17.607 7.523 22.015 1.00 0.00 C ATOM 26 CG MET A 3 -16.291 6.902 22.453 1.00 0.00 C ATOM 27 SD MET A 3 -15.203 8.085 23.270 1.00 0.00 S ATOM 28 CE MET A 3 -15.877 8.077 24.928 1.00 0.00 C ATOM 0 H MET A 3 -18.518 9.798 21.398 1.00 0.00 H new ATOM 0 HA MET A 3 -16.558 8.008 20.203 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.879 8.311 22.717 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.391 6.767 22.065 1.00 0.00 H new ATOM 0 HG2 MET A 3 -16.493 6.072 23.130 1.00 0.00 H new ATOM 0 HG3 MET A 3 -15.782 6.487 21.583 1.00 0.00 H new ATOM 0 HE1 MET A 3 -15.308 8.763 25.555 1.00 0.00 H new ATOM 0 HE2 MET A 3 -16.920 8.393 24.898 1.00 0.00 H new ATOM 0 HE3 MET A 3 -15.814 7.070 25.341 1.00 0.00 H new ATOM 38 N ILE A 4 -17.963 6.705 18.662 1.00 0.00 N ATOM 39 CA ILE A 4 -18.759 5.931 17.717 1.00 0.00 C ATOM 40 C ILE A 4 -18.063 4.622 17.361 1.00 0.00 C ATOM 41 O ILE A 4 -17.553 4.460 16.251 1.00 0.00 O ATOM 42 CB ILE A 4 -19.032 6.728 16.427 1.00 0.00 C ATOM 43 CG1 ILE A 4 -17.727 7.295 15.865 1.00 0.00 C ATOM 44 CG2 ILE A 4 -20.030 7.843 16.696 1.00 0.00 C ATOM 45 CD1 ILE A 4 -17.631 7.207 14.358 1.00 0.00 C ATOM 0 H ILE A 4 -16.963 6.714 18.462 1.00 0.00 H new ATOM 0 HA ILE A 4 -19.710 5.713 18.204 1.00 0.00 H new ATOM 0 HB ILE A 4 -19.461 6.055 15.685 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -17.633 8.338 16.167 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -16.887 6.759 16.307 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -20.213 8.397 15.776 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -20.966 7.415 17.054 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -19.627 8.517 17.452 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -16.681 7.627 14.029 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -17.693 6.163 14.050 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -18.451 7.767 13.908 1.00 0.00 H new ATOM 57 N HIS A 5 -18.044 3.691 18.308 1.00 0.00 N ATOM 58 CA HIS A 5 -17.409 2.397 18.096 1.00 0.00 C ATOM 59 C HIS A 5 -15.908 2.561 17.891 1.00 0.00 C ATOM 60 O HIS A 5 -15.462 3.489 17.214 1.00 0.00 O ATOM 61 CB HIS A 5 -18.026 1.690 16.886 1.00 0.00 C ATOM 62 CG HIS A 5 -18.305 0.239 17.120 1.00 0.00 C ATOM 63 ND1 HIS A 5 -17.975 -0.412 18.289 1.00 0.00 N ATOM 64 CD2 HIS A 5 -18.885 -0.692 16.325 1.00 0.00 C ATOM 65 CE1 HIS A 5 -18.338 -1.679 18.206 1.00 0.00 C ATOM 66 NE2 HIS A 5 -18.894 -1.874 17.025 1.00 0.00 N ATOM 0 H HIS A 5 -18.462 3.809 19.231 1.00 0.00 H new ATOM 0 HA HIS A 5 -17.576 1.788 18.985 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.956 2.192 16.617 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -17.352 1.790 16.035 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -19.268 -0.534 15.328 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -18.203 -2.427 18.973 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -19.270 -2.760 16.687 1.00 0.00 H new ATOM 74 N ARG A 6 -15.130 1.659 18.480 1.00 0.00 N ATOM 75 CA ARG A 6 -13.680 1.715 18.357 1.00 0.00 C ATOM 76 C ARG A 6 -13.036 0.433 18.878 1.00 0.00 C ATOM 77 O ARG A 6 -12.398 0.427 19.930 1.00 0.00 O ATOM 78 CB ARG A 6 -13.134 2.931 19.111 1.00 0.00 C ATOM 79 CG ARG A 6 -11.892 3.545 18.477 1.00 0.00 C ATOM 80 CD ARG A 6 -12.135 3.959 17.032 1.00 0.00 C ATOM 81 NE ARG A 6 -12.820 5.247 16.930 1.00 0.00 N ATOM 82 CZ ARG A 6 -13.517 5.634 15.863 1.00 0.00 C ATOM 83 NH1 ARG A 6 -13.627 4.837 14.807 1.00 0.00 N ATOM 84 NH2 ARG A 6 -14.104 6.823 15.850 1.00 0.00 N ATOM 0 H ARG A 6 -15.478 0.884 19.045 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.430 1.812 17.300 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.914 3.691 19.168 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -12.900 2.637 20.134 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.582 4.415 19.056 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.073 2.827 18.516 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.181 4.015 16.507 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.729 3.194 16.532 1.00 0.00 H new ATOM 0 HE ARG A 6 -12.761 5.886 17.722 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -13.176 3.922 14.809 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.162 5.140 13.993 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -14.022 7.441 16.657 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -14.638 7.119 15.033 1.00 0.00 H new ATOM 98 N MET A 7 -13.205 -0.650 18.125 1.00 0.00 N ATOM 99 CA MET A 7 -12.639 -1.942 18.496 1.00 0.00 C ATOM 100 C MET A 7 -11.348 -2.199 17.726 1.00 0.00 C ATOM 101 O MET A 7 -10.272 -2.312 18.313 1.00 0.00 O ATOM 102 CB MET A 7 -13.648 -3.061 18.220 1.00 0.00 C ATOM 103 CG MET A 7 -14.136 -3.765 19.476 1.00 0.00 C ATOM 104 SD MET A 7 -15.902 -4.128 19.429 1.00 0.00 S ATOM 105 CE MET A 7 -16.044 -5.306 20.770 1.00 0.00 C ATOM 0 H MET A 7 -13.731 -0.658 17.251 1.00 0.00 H new ATOM 0 HA MET A 7 -12.412 -1.927 19.562 1.00 0.00 H new ATOM 0 HB2 MET A 7 -14.505 -2.644 17.691 1.00 0.00 H new ATOM 0 HB3 MET A 7 -13.191 -3.795 17.557 1.00 0.00 H new ATOM 0 HG2 MET A 7 -13.582 -4.694 19.605 1.00 0.00 H new ATOM 0 HG3 MET A 7 -13.920 -3.142 20.344 1.00 0.00 H new ATOM 0 HE1 MET A 7 -17.082 -5.625 20.866 1.00 0.00 H new ATOM 0 HE2 MET A 7 -15.416 -6.172 20.561 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.721 -4.839 21.700 1.00 0.00 H new ATOM 115 N SER A 8 -11.469 -2.283 16.405 1.00 0.00 N ATOM 116 CA SER A 8 -10.321 -2.518 15.539 1.00 0.00 C ATOM 117 C SER A 8 -10.324 -1.532 14.375 1.00 0.00 C ATOM 118 O SER A 8 -11.328 -0.867 14.119 1.00 0.00 O ATOM 119 CB SER A 8 -10.339 -3.954 15.011 1.00 0.00 C ATOM 120 OG SER A 8 -11.527 -4.214 14.283 1.00 0.00 O ATOM 0 H SER A 8 -12.356 -2.191 15.910 1.00 0.00 H new ATOM 0 HA SER A 8 -9.412 -2.370 16.122 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.473 -4.121 14.371 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.259 -4.652 15.844 1.00 0.00 H new ATOM 0 HG SER A 8 -11.514 -5.137 13.955 1.00 0.00 H new ATOM 126 N ASN A 9 -9.201 -1.436 13.672 1.00 0.00 N ATOM 127 CA ASN A 9 -9.091 -0.522 12.540 1.00 0.00 C ATOM 128 C ASN A 9 -8.274 -1.136 11.407 1.00 0.00 C ATOM 129 O ASN A 9 -7.050 -1.241 11.495 1.00 0.00 O ATOM 130 CB ASN A 9 -8.459 0.799 12.984 1.00 0.00 C ATOM 131 CG ASN A 9 -8.841 1.954 12.078 1.00 0.00 C ATOM 132 OD1 ASN A 9 -9.891 2.572 12.251 1.00 0.00 O ATOM 133 ND2 ASN A 9 -7.987 2.253 11.105 1.00 0.00 N ATOM 0 H ASN A 9 -8.358 -1.977 13.864 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.097 -0.331 12.167 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.770 1.023 14.005 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.374 0.694 12.997 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.191 3.021 10.466 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.128 1.714 10.997 1.00 0.00 H new ATOM 140 N MET A 10 -8.962 -1.531 10.340 1.00 0.00 N ATOM 141 CA MET A 10 -8.308 -2.127 9.181 1.00 0.00 C ATOM 142 C MET A 10 -7.993 -1.062 8.137 1.00 0.00 C ATOM 143 O MET A 10 -8.868 -0.293 7.740 1.00 0.00 O ATOM 144 CB MET A 10 -9.201 -3.205 8.561 1.00 0.00 C ATOM 145 CG MET A 10 -9.491 -4.375 9.487 1.00 0.00 C ATOM 146 SD MET A 10 -10.713 -5.511 8.803 1.00 0.00 S ATOM 147 CE MET A 10 -10.376 -6.990 9.755 1.00 0.00 C ATOM 0 H MET A 10 -9.975 -1.449 10.255 1.00 0.00 H new ATOM 0 HA MET A 10 -7.376 -2.583 9.514 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.145 -2.751 8.259 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.724 -3.581 7.656 1.00 0.00 H new ATOM 0 HG2 MET A 10 -8.566 -4.917 9.683 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.848 -3.996 10.445 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.055 -7.785 9.445 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.346 -7.305 9.585 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.522 -6.782 10.815 1.00 0.00 H new ATOM 157 N ALA A 11 -6.742 -1.020 7.690 1.00 0.00 N ATOM 158 CA ALA A 11 -6.330 -0.047 6.688 1.00 0.00 C ATOM 159 C ALA A 11 -6.641 -0.544 5.283 1.00 0.00 C ATOM 160 O ALA A 11 -6.137 -1.582 4.857 1.00 0.00 O ATOM 161 CB ALA A 11 -4.847 0.261 6.817 1.00 0.00 C ATOM 0 H ALA A 11 -6.000 -1.645 8.005 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.895 0.869 6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.560 0.990 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.645 0.668 7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.272 -0.654 6.677 1.00 0.00 H new ATOM 167 N THR A 12 -7.469 0.208 4.568 1.00 0.00 N ATOM 168 CA THR A 12 -7.844 -0.144 3.206 1.00 0.00 C ATOM 169 C THR A 12 -7.822 1.094 2.318 1.00 0.00 C ATOM 170 O THR A 12 -8.412 2.120 2.655 1.00 0.00 O ATOM 171 CB THR A 12 -9.234 -0.786 3.181 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.220 0.131 3.620 1.00 0.00 O ATOM 173 CG2 THR A 12 -9.339 -2.023 4.047 1.00 0.00 C ATOM 0 H THR A 12 -7.895 1.069 4.912 1.00 0.00 H new ATOM 0 HA THR A 12 -7.122 -0.865 2.824 1.00 0.00 H new ATOM 0 HB THR A 12 -9.398 -1.074 2.143 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.876 1.045 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.349 -2.427 3.983 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.626 -2.771 3.700 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.117 -1.763 5.082 1.00 0.00 H new ATOM 181 N PHE A 13 -7.136 0.997 1.184 1.00 0.00 N ATOM 182 CA PHE A 13 -7.040 2.119 0.255 1.00 0.00 C ATOM 183 C PHE A 13 -8.049 1.969 -0.880 1.00 0.00 C ATOM 184 O PHE A 13 -8.475 0.864 -1.206 1.00 0.00 O ATOM 185 CB PHE A 13 -5.622 2.216 -0.319 1.00 0.00 C ATOM 186 CG PHE A 13 -5.455 3.309 -1.341 1.00 0.00 C ATOM 187 CD1 PHE A 13 -5.733 4.628 -1.018 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.027 3.015 -2.626 1.00 0.00 C ATOM 189 CE1 PHE A 13 -5.586 5.632 -1.958 1.00 0.00 C ATOM 190 CE2 PHE A 13 -4.879 4.015 -3.569 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.159 5.325 -3.235 1.00 0.00 C ATOM 0 H PHE A 13 -6.640 0.157 0.886 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.266 3.034 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.920 2.384 0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.358 1.262 -0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.068 4.874 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.806 1.992 -2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.805 6.656 -1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.544 3.772 -4.567 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.044 6.108 -3.970 1.00 0.00 H new ATOM 201 N SER A 14 -8.438 3.091 -1.467 1.00 0.00 N ATOM 202 CA SER A 14 -9.402 3.082 -2.558 1.00 0.00 C ATOM 203 C SER A 14 -8.722 3.362 -3.894 1.00 0.00 C ATOM 204 O SER A 14 -7.661 3.984 -3.946 1.00 0.00 O ATOM 205 CB SER A 14 -10.505 4.110 -2.302 1.00 0.00 C ATOM 206 OG SER A 14 -11.588 3.536 -1.586 1.00 0.00 O ATOM 0 H SER A 14 -8.102 4.018 -1.207 1.00 0.00 H new ATOM 0 HA SER A 14 -9.848 2.088 -2.605 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.099 4.950 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.863 4.506 -3.252 1.00 0.00 H new ATOM 0 HG SER A 14 -12.277 4.216 -1.435 1.00 0.00 H new ATOM 212 N LEU A 15 -9.347 2.899 -4.971 1.00 0.00 N ATOM 213 CA LEU A 15 -8.817 3.096 -6.316 1.00 0.00 C ATOM 214 C LEU A 15 -9.831 3.829 -7.189 1.00 0.00 C ATOM 215 O LEU A 15 -9.462 4.577 -8.095 1.00 0.00 O ATOM 216 CB LEU A 15 -8.479 1.748 -6.954 1.00 0.00 C ATOM 217 CG LEU A 15 -7.031 1.295 -6.814 1.00 0.00 C ATOM 218 CD1 LEU A 15 -6.920 -0.184 -7.134 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.124 2.107 -7.722 1.00 0.00 C ATOM 0 H LEU A 15 -10.226 2.382 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.911 3.698 -6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.123 0.987 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.724 1.797 -8.015 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.711 1.458 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.882 -0.501 -7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.543 -0.753 -6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.255 -0.361 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.095 1.767 -7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.435 1.976 -8.758 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.190 3.161 -7.454 1.00 0.00 H new ATOM 231 N GLY A 16 -11.112 3.598 -6.914 1.00 0.00 N ATOM 232 CA GLY A 16 -12.164 4.231 -7.685 1.00 0.00 C ATOM 233 C GLY A 16 -12.326 3.598 -9.052 1.00 0.00 C ATOM 234 O GLY A 16 -12.748 2.446 -9.166 1.00 0.00 O ATOM 0 H GLY A 16 -11.439 2.982 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.105 4.161 -7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.940 5.292 -7.801 1.00 0.00 H new ATOM 238 N LYS A 17 -11.979 4.348 -10.090 1.00 0.00 N ATOM 239 CA LYS A 17 -12.074 3.856 -11.457 1.00 0.00 C ATOM 240 C LYS A 17 -11.004 4.510 -12.327 1.00 0.00 C ATOM 241 O LYS A 17 -11.299 5.113 -13.358 1.00 0.00 O ATOM 242 CB LYS A 17 -13.473 4.120 -12.026 1.00 0.00 C ATOM 243 CG LYS A 17 -14.182 2.856 -12.490 1.00 0.00 C ATOM 244 CD LYS A 17 -15.633 2.824 -12.033 1.00 0.00 C ATOM 245 CE LYS A 17 -16.139 1.396 -11.881 1.00 0.00 C ATOM 246 NZ LYS A 17 -16.830 1.182 -10.578 1.00 0.00 N ATOM 0 H LYS A 17 -11.628 5.302 -10.010 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.906 2.779 -11.454 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.080 4.611 -11.265 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.392 4.812 -12.865 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.142 2.795 -13.578 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.659 1.982 -12.102 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.728 3.348 -11.082 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.254 3.356 -12.753 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.825 1.166 -12.697 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.301 0.704 -11.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.158 0.197 -10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.169 1.376 -9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -17.646 1.824 -10.508 1.00 0.00 H new ATOM 260 N HIS A 18 -9.755 4.388 -11.887 1.00 0.00 N ATOM 261 CA HIS A 18 -8.623 4.967 -12.600 1.00 0.00 C ATOM 262 C HIS A 18 -7.644 3.878 -13.038 1.00 0.00 C ATOM 263 O HIS A 18 -7.755 2.730 -12.608 1.00 0.00 O ATOM 264 CB HIS A 18 -7.923 5.986 -11.699 1.00 0.00 C ATOM 265 CG HIS A 18 -8.756 7.200 -11.426 1.00 0.00 C ATOM 266 ND1 HIS A 18 -9.652 7.717 -12.337 1.00 0.00 N ATOM 267 CD2 HIS A 18 -8.835 7.997 -10.333 1.00 0.00 C ATOM 268 CE1 HIS A 18 -10.245 8.777 -11.821 1.00 0.00 C ATOM 269 NE2 HIS A 18 -9.768 8.968 -10.604 1.00 0.00 N ATOM 0 H HIS A 18 -9.501 3.890 -11.034 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.987 5.469 -13.496 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.666 5.509 -10.753 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.987 6.293 -12.166 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.270 7.889 -9.419 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.992 9.384 -12.310 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.047 9.715 -9.969 1.00 0.00 H new ATOM 277 N PRO A 19 -6.670 4.216 -13.906 1.00 0.00 N ATOM 278 CA PRO A 19 -5.677 3.254 -14.399 1.00 0.00 C ATOM 279 C PRO A 19 -5.043 2.437 -13.276 1.00 0.00 C ATOM 280 O PRO A 19 -4.901 1.223 -13.395 1.00 0.00 O ATOM 281 CB PRO A 19 -4.622 4.135 -15.090 1.00 0.00 C ATOM 282 CG PRO A 19 -4.968 5.541 -14.723 1.00 0.00 C ATOM 283 CD PRO A 19 -6.449 5.548 -14.485 1.00 0.00 C ATOM 0 HA PRO A 19 -6.129 2.516 -15.062 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.617 3.879 -14.755 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.643 3.996 -16.171 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.427 5.857 -13.831 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.697 6.232 -15.521 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.749 6.344 -13.804 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.010 5.690 -15.409 1.00 0.00 H new ATOM 291 N HIS A 20 -4.675 3.116 -12.187 1.00 0.00 N ATOM 292 CA HIS A 20 -4.059 2.480 -11.016 1.00 0.00 C ATOM 293 C HIS A 20 -3.378 3.537 -10.147 1.00 0.00 C ATOM 294 O HIS A 20 -3.611 4.731 -10.326 1.00 0.00 O ATOM 295 CB HIS A 20 -3.057 1.391 -11.420 1.00 0.00 C ATOM 296 CG HIS A 20 -1.892 1.910 -12.185 1.00 0.00 C ATOM 297 ND1 HIS A 20 -1.086 2.917 -11.714 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.389 1.558 -13.392 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.141 3.167 -12.592 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.298 2.356 -13.621 1.00 0.00 N ATOM 0 H HIS A 20 -4.795 4.124 -12.090 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.850 1.997 -10.442 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.697 0.889 -10.522 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.571 0.641 -12.021 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.774 0.793 -14.050 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.634 3.912 -12.489 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.295 2.328 -14.450 1.00 0.00 H new ATOM 308 N VAL A 21 -2.531 3.105 -9.215 1.00 0.00 N ATOM 309 CA VAL A 21 -1.829 4.053 -8.344 1.00 0.00 C ATOM 310 C VAL A 21 -0.354 3.713 -8.209 1.00 0.00 C ATOM 311 O VAL A 21 0.028 2.547 -8.214 1.00 0.00 O ATOM 312 CB VAL A 21 -2.436 4.107 -6.934 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.805 4.773 -6.956 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.511 2.711 -6.339 1.00 0.00 C ATOM 0 H VAL A 21 -2.315 2.123 -9.043 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.942 5.025 -8.824 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.788 4.712 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.213 4.799 -5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.709 5.791 -7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.475 4.207 -7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.943 2.764 -5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.135 2.079 -6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.509 2.287 -6.279 1.00 0.00 H new ATOM 324 N GLU A 22 0.469 4.746 -8.062 1.00 0.00 N ATOM 325 CA GLU A 22 1.903 4.561 -7.903 1.00 0.00 C ATOM 326 C GLU A 22 2.250 4.274 -6.444 1.00 0.00 C ATOM 327 O GLU A 22 1.625 4.818 -5.536 1.00 0.00 O ATOM 328 CB GLU A 22 2.656 5.802 -8.389 1.00 0.00 C ATOM 329 CG GLU A 22 3.219 5.662 -9.794 1.00 0.00 C ATOM 330 CD GLU A 22 3.276 6.984 -10.534 1.00 0.00 C ATOM 331 OE1 GLU A 22 2.201 7.514 -10.886 1.00 0.00 O ATOM 332 OE2 GLU A 22 4.396 7.489 -10.763 1.00 0.00 O ATOM 0 H GLU A 22 0.165 5.720 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 22 2.207 3.706 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.983 6.659 -8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.473 6.014 -7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.221 5.237 -9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.606 4.960 -10.359 1.00 0.00 H new ATOM 339 N LEU A 23 3.236 3.406 -6.228 1.00 0.00 N ATOM 340 CA LEU A 23 3.661 3.031 -4.878 1.00 0.00 C ATOM 341 C LEU A 23 3.672 4.232 -3.931 1.00 0.00 C ATOM 342 O LEU A 23 3.344 4.106 -2.753 1.00 0.00 O ATOM 343 CB LEU A 23 5.054 2.396 -4.913 1.00 0.00 C ATOM 344 CG LEU A 23 5.097 0.945 -5.401 1.00 0.00 C ATOM 345 CD1 LEU A 23 5.529 0.885 -6.856 1.00 0.00 C ATOM 346 CD2 LEU A 23 6.034 0.116 -4.537 1.00 0.00 C ATOM 0 H LEU A 23 3.759 2.946 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 23 2.938 2.308 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.694 2.998 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.480 2.438 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 23 4.093 0.528 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.554 -0.154 -7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.821 1.443 -7.469 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.522 1.322 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.050 -0.912 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.039 0.534 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.685 0.130 -3.504 1.00 0.00 H new ATOM 358 N CYS A 24 4.052 5.393 -4.454 1.00 0.00 N ATOM 359 CA CYS A 24 4.108 6.610 -3.649 1.00 0.00 C ATOM 360 C CYS A 24 2.714 7.179 -3.406 1.00 0.00 C ATOM 361 O CYS A 24 2.431 7.718 -2.336 1.00 0.00 O ATOM 362 CB CYS A 24 4.989 7.659 -4.332 1.00 0.00 C ATOM 363 SG CYS A 24 5.514 9.002 -3.241 1.00 0.00 S ATOM 0 H CYS A 24 4.325 5.518 -5.429 1.00 0.00 H new ATOM 0 HA CYS A 24 4.542 6.351 -2.683 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.873 7.167 -4.738 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.444 8.082 -5.176 1.00 0.00 H new ATOM 0 HG CYS A 24 6.255 9.837 -3.907 1.00 0.00 H new ATOM 369 N ASP A 25 1.843 7.052 -4.401 1.00 0.00 N ATOM 370 CA ASP A 25 0.476 7.549 -4.289 1.00 0.00 C ATOM 371 C ASP A 25 -0.284 6.796 -3.201 1.00 0.00 C ATOM 372 O ASP A 25 -0.725 7.384 -2.214 1.00 0.00 O ATOM 373 CB ASP A 25 -0.253 7.400 -5.628 1.00 0.00 C ATOM 374 CG ASP A 25 0.486 8.075 -6.768 1.00 0.00 C ATOM 375 OD1 ASP A 25 1.425 8.851 -6.492 1.00 0.00 O ATOM 376 OD2 ASP A 25 0.124 7.829 -7.938 1.00 0.00 O ATOM 0 H ASP A 25 2.059 6.609 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 25 0.518 8.604 -4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.376 6.341 -5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.253 7.827 -5.544 1.00 0.00 H new ATOM 381 N LEU A 26 -0.432 5.492 -3.398 1.00 0.00 N ATOM 382 CA LEU A 26 -1.138 4.637 -2.447 1.00 0.00 C ATOM 383 C LEU A 26 -0.546 4.759 -1.044 1.00 0.00 C ATOM 384 O LEU A 26 -1.277 4.855 -0.058 1.00 0.00 O ATOM 385 CB LEU A 26 -1.066 3.181 -2.918 1.00 0.00 C ATOM 386 CG LEU A 26 -1.813 2.168 -2.047 1.00 0.00 C ATOM 387 CD1 LEU A 26 -2.188 0.942 -2.868 1.00 0.00 C ATOM 388 CD2 LEU A 26 -0.971 1.764 -0.845 1.00 0.00 C ATOM 0 H LEU A 26 -0.070 4.999 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.178 4.960 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.464 3.125 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.018 2.886 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.726 2.638 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.719 0.230 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.830 1.241 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.284 0.476 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.522 1.044 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.040 1.313 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.747 2.646 -0.245 1.00 0.00 H new ATOM 400 N LEU A 27 0.780 4.732 -0.965 1.00 0.00 N ATOM 401 CA LEU A 27 1.477 4.816 0.315 1.00 0.00 C ATOM 402 C LEU A 27 1.197 6.140 1.025 1.00 0.00 C ATOM 403 O LEU A 27 0.773 6.162 2.180 1.00 0.00 O ATOM 404 CB LEU A 27 2.986 4.650 0.102 1.00 0.00 C ATOM 405 CG LEU A 27 3.504 3.202 0.062 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.616 2.312 -0.801 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.938 3.168 -0.450 1.00 0.00 C ATOM 0 H LEU A 27 1.396 4.652 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 27 1.105 4.011 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.257 5.138 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.506 5.180 0.900 1.00 0.00 H new ATOM 0 HG LEU A 27 3.478 2.813 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.013 1.297 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.604 2.304 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.595 2.698 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.292 2.137 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.975 3.587 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.575 3.755 0.212 1.00 0.00 H new ATOM 419 N LYS A 28 1.446 7.243 0.328 1.00 0.00 N ATOM 420 CA LYS A 28 1.233 8.575 0.888 1.00 0.00 C ATOM 421 C LYS A 28 -0.226 8.790 1.292 1.00 0.00 C ATOM 422 O LYS A 28 -0.511 9.258 2.395 1.00 0.00 O ATOM 423 CB LYS A 28 1.654 9.640 -0.129 1.00 0.00 C ATOM 424 CG LYS A 28 1.700 11.050 0.437 1.00 0.00 C ATOM 425 CD LYS A 28 1.280 12.079 -0.601 1.00 0.00 C ATOM 426 CE LYS A 28 -0.233 12.166 -0.726 1.00 0.00 C ATOM 427 NZ LYS A 28 -0.756 13.471 -0.236 1.00 0.00 N ATOM 0 H LYS A 28 1.797 7.242 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 28 1.845 8.662 1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.638 9.384 -0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.961 9.619 -0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.043 11.117 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.709 11.272 0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.679 13.056 -0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.711 11.818 -1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.520 12.028 -1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.691 11.355 -0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.791 13.491 -0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.505 13.592 0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.338 14.244 -0.793 1.00 0.00 H new ATOM 441 N LEU A 29 -1.141 8.464 0.386 1.00 0.00 N ATOM 442 CA LEU A 29 -2.570 8.638 0.636 1.00 0.00 C ATOM 443 C LEU A 29 -3.035 7.861 1.868 1.00 0.00 C ATOM 444 O LEU A 29 -3.738 8.404 2.721 1.00 0.00 O ATOM 445 CB LEU A 29 -3.375 8.205 -0.590 1.00 0.00 C ATOM 446 CG LEU A 29 -3.377 9.208 -1.745 1.00 0.00 C ATOM 447 CD1 LEU A 29 -3.937 8.569 -3.008 1.00 0.00 C ATOM 448 CD2 LEU A 29 -4.177 10.447 -1.371 1.00 0.00 C ATOM 0 H LEU A 29 -0.919 8.077 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.742 9.697 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.977 7.257 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.405 8.022 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.348 9.509 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.930 9.298 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.323 7.712 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.960 8.238 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.169 11.151 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.205 10.162 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.731 10.917 -0.494 1.00 0.00 H new ATOM 460 N GLU A 30 -2.653 6.592 1.953 1.00 0.00 N ATOM 461 CA GLU A 30 -3.050 5.754 3.083 1.00 0.00 C ATOM 462 C GLU A 30 -2.336 6.169 4.367 1.00 0.00 C ATOM 463 O GLU A 30 -2.706 5.732 5.456 1.00 0.00 O ATOM 464 CB GLU A 30 -2.757 4.286 2.784 1.00 0.00 C ATOM 465 CG GLU A 30 -3.979 3.498 2.350 1.00 0.00 C ATOM 466 CD GLU A 30 -5.008 3.354 3.453 1.00 0.00 C ATOM 467 OE1 GLU A 30 -4.615 3.020 4.591 1.00 0.00 O ATOM 468 OE2 GLU A 30 -6.206 3.573 3.179 1.00 0.00 O ATOM 0 H GLU A 30 -2.073 6.121 1.259 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.122 5.888 3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.001 4.227 2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.332 3.821 3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.438 3.991 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.668 2.507 2.018 1.00 0.00 H new ATOM 475 N GLY A 31 -1.316 7.011 4.240 1.00 0.00 N ATOM 476 CA GLY A 31 -0.581 7.458 5.407 1.00 0.00 C ATOM 477 C GLY A 31 0.606 6.572 5.730 1.00 0.00 C ATOM 478 O GLY A 31 1.070 6.540 6.869 1.00 0.00 O ATOM 0 H GLY A 31 -0.986 7.390 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.233 8.478 5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.253 7.485 6.265 1.00 0.00 H new ATOM 482 N TRP A 32 1.107 5.854 4.727 1.00 0.00 N ATOM 483 CA TRP A 32 2.253 4.974 4.923 1.00 0.00 C ATOM 484 C TRP A 32 3.490 5.788 5.287 1.00 0.00 C ATOM 485 O TRP A 32 3.925 5.793 6.439 1.00 0.00 O ATOM 486 CB TRP A 32 2.525 4.151 3.661 1.00 0.00 C ATOM 487 CG TRP A 32 1.430 3.185 3.317 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.122 3.481 3.059 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.550 1.762 3.188 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.572 2.334 2.767 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.279 1.268 2.843 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.606 0.855 3.326 1.00 0.00 C ATOM 493 CZ2 TRP A 32 0.036 -0.083 2.635 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.358 -0.490 3.120 1.00 0.00 C ATOM 495 CH2 TRP A 32 1.081 -0.946 2.777 1.00 0.00 C ATOM 0 H TRP A 32 0.739 5.865 3.776 1.00 0.00 H new ATOM 0 HA TRP A 32 2.022 4.292 5.742 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.674 4.830 2.821 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.455 3.598 3.793 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.304 4.473 3.082 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.563 2.285 2.531 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.596 1.198 3.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.949 -0.438 2.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.164 -1.201 3.226 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.920 -2.003 2.622 1.00 0.00 H new ATOM 506 N SER A 33 4.047 6.482 4.298 1.00 0.00 N ATOM 507 CA SER A 33 5.229 7.309 4.513 1.00 0.00 C ATOM 508 C SER A 33 4.833 8.746 4.833 1.00 0.00 C ATOM 509 O SER A 33 3.826 9.248 4.334 1.00 0.00 O ATOM 510 CB SER A 33 6.133 7.288 3.278 1.00 0.00 C ATOM 511 OG SER A 33 7.348 7.974 3.526 1.00 0.00 O ATOM 0 H SER A 33 3.698 6.487 3.340 1.00 0.00 H new ATOM 0 HA SER A 33 5.775 6.897 5.361 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.345 6.257 2.995 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.616 7.749 2.437 1.00 0.00 H new ATOM 0 HG SER A 33 7.909 7.946 2.723 1.00 0.00 H new ATOM 517 N GLU A 34 5.634 9.405 5.662 1.00 0.00 N ATOM 518 CA GLU A 34 5.366 10.785 6.041 1.00 0.00 C ATOM 519 C GLU A 34 5.752 11.738 4.914 1.00 0.00 C ATOM 520 O GLU A 34 5.115 12.772 4.714 1.00 0.00 O ATOM 521 CB GLU A 34 6.136 11.141 7.313 1.00 0.00 C ATOM 522 CG GLU A 34 5.353 10.873 8.588 1.00 0.00 C ATOM 523 CD GLU A 34 5.660 11.876 9.681 1.00 0.00 C ATOM 524 OE1 GLU A 34 6.024 13.024 9.349 1.00 0.00 O ATOM 525 OE2 GLU A 34 5.535 11.514 10.870 1.00 0.00 O ATOM 0 H GLU A 34 6.473 9.006 6.083 1.00 0.00 H new ATOM 0 HA GLU A 34 4.298 10.888 6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.064 10.570 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.411 12.195 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.286 10.897 8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.581 9.869 8.946 1.00 0.00 H new ATOM 532 N SER A 35 6.796 11.375 4.177 1.00 0.00 N ATOM 533 CA SER A 35 7.269 12.189 3.064 1.00 0.00 C ATOM 534 C SER A 35 6.884 11.565 1.723 1.00 0.00 C ATOM 535 O SER A 35 6.704 12.269 0.730 1.00 0.00 O ATOM 536 CB SER A 35 8.786 12.374 3.149 1.00 0.00 C ATOM 537 OG SER A 35 9.318 11.713 4.286 1.00 0.00 O ATOM 0 H SER A 35 7.332 10.521 4.331 1.00 0.00 H new ATOM 0 HA SER A 35 6.790 13.166 3.131 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.254 11.984 2.245 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.024 13.437 3.198 1.00 0.00 H new ATOM 0 HG SER A 35 10.013 12.271 4.693 1.00 0.00 H new ATOM 543 N GLY A 36 6.764 10.240 1.702 1.00 0.00 N ATOM 544 CA GLY A 36 6.404 9.542 0.478 1.00 0.00 C ATOM 545 C GLY A 36 7.508 8.626 -0.012 1.00 0.00 C ATOM 546 O GLY A 36 7.404 7.404 0.093 1.00 0.00 O ATOM 0 H GLY A 36 6.910 9.636 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.500 8.957 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.170 10.271 -0.297 1.00 0.00 H new ATOM 550 N ALA A 37 8.572 9.220 -0.541 1.00 0.00 N ATOM 551 CA ALA A 37 9.708 8.456 -1.044 1.00 0.00 C ATOM 552 C ALA A 37 10.992 8.832 -0.306 1.00 0.00 C ATOM 553 O ALA A 37 12.052 8.253 -0.550 1.00 0.00 O ATOM 554 CB ALA A 37 9.872 8.679 -2.541 1.00 0.00 C ATOM 0 H ALA A 37 8.672 10.231 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 37 9.513 7.399 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.723 8.103 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.969 8.356 -3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.042 9.738 -2.735 1.00 0.00 H new ATOM 560 N GLN A 38 10.889 9.803 0.599 1.00 0.00 N ATOM 561 CA GLN A 38 12.035 10.260 1.379 1.00 0.00 C ATOM 562 C GLN A 38 12.730 9.088 2.063 1.00 0.00 C ATOM 563 O GLN A 38 13.895 8.798 1.791 1.00 0.00 O ATOM 564 CB GLN A 38 11.575 11.277 2.427 1.00 0.00 C ATOM 565 CG GLN A 38 12.653 11.679 3.423 1.00 0.00 C ATOM 566 CD GLN A 38 13.351 12.967 3.040 1.00 0.00 C ATOM 567 OE1 GLN A 38 13.639 13.206 1.867 1.00 0.00 O ATOM 568 NE2 GLN A 38 13.629 13.804 4.031 1.00 0.00 N ATOM 0 H GLN A 38 10.018 10.290 0.810 1.00 0.00 H new ATOM 0 HA GLN A 38 12.747 10.732 0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.217 12.171 1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.729 10.861 2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.206 11.793 4.410 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.390 10.879 3.497 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.372 13.564 4.988 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.100 14.687 3.836 1.00 0.00 H new ATOM 577 N ALA A 39 12.007 8.420 2.955 1.00 0.00 N ATOM 578 CA ALA A 39 12.552 7.281 3.686 1.00 0.00 C ATOM 579 C ALA A 39 12.671 6.040 2.798 1.00 0.00 C ATOM 580 O ALA A 39 12.846 4.930 3.299 1.00 0.00 O ATOM 581 CB ALA A 39 11.683 6.982 4.899 1.00 0.00 C ATOM 0 H ALA A 39 11.041 8.648 3.190 1.00 0.00 H new ATOM 0 HA ALA A 39 13.557 7.544 4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.095 6.131 5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.661 7.853 5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.670 6.748 4.572 1.00 0.00 H new ATOM 587 N LYS A 40 12.577 6.231 1.482 1.00 0.00 N ATOM 588 CA LYS A 40 12.674 5.125 0.537 1.00 0.00 C ATOM 589 C LYS A 40 11.462 4.204 0.645 1.00 0.00 C ATOM 590 O LYS A 40 11.482 3.079 0.148 1.00 0.00 O ATOM 591 CB LYS A 40 13.962 4.332 0.772 1.00 0.00 C ATOM 592 CG LYS A 40 15.190 5.211 0.955 1.00 0.00 C ATOM 593 CD LYS A 40 16.411 4.615 0.271 1.00 0.00 C ATOM 594 CE LYS A 40 17.307 5.697 -0.309 1.00 0.00 C ATOM 595 NZ LYS A 40 18.668 5.182 -0.627 1.00 0.00 N ATOM 0 H LYS A 40 12.434 7.143 1.049 1.00 0.00 H new ATOM 0 HA LYS A 40 12.696 5.544 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.838 3.706 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.126 3.663 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.992 6.203 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.393 5.337 2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.976 4.018 0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.092 3.941 -0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.851 6.099 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.387 6.520 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.247 5.951 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.114 4.821 0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.594 4.413 -1.324 1.00 0.00 H new ATOM 609 N ILE A 41 10.407 4.693 1.288 1.00 0.00 N ATOM 610 CA ILE A 41 9.184 3.920 1.455 1.00 0.00 C ATOM 611 C ILE A 41 8.605 3.514 0.099 1.00 0.00 C ATOM 612 O ILE A 41 7.831 2.562 -0.001 1.00 0.00 O ATOM 613 CB ILE A 41 8.135 4.724 2.259 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.718 5.125 3.615 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.848 3.929 2.451 1.00 0.00 C ATOM 616 CD1 ILE A 41 9.047 3.943 4.503 1.00 0.00 C ATOM 0 H ILE A 41 10.376 5.624 1.703 1.00 0.00 H new ATOM 0 HA ILE A 41 9.434 3.016 2.010 1.00 0.00 H new ATOM 0 HB ILE A 41 7.887 5.621 1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.623 5.711 3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.007 5.771 4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.134 4.524 3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.423 3.685 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.066 3.009 2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.456 4.301 5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.141 3.368 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.781 3.308 4.007 1.00 0.00 H new ATOM 628 N ALA A 42 8.995 4.238 -0.945 1.00 0.00 N ATOM 629 CA ALA A 42 8.522 3.948 -2.291 1.00 0.00 C ATOM 630 C ALA A 42 9.177 2.677 -2.839 1.00 0.00 C ATOM 631 O ALA A 42 8.556 1.608 -2.882 1.00 0.00 O ATOM 632 CB ALA A 42 8.791 5.133 -3.209 1.00 0.00 C ATOM 0 H ALA A 42 9.637 5.029 -0.884 1.00 0.00 H new ATOM 0 HA ALA A 42 7.446 3.778 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.433 4.904 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.271 6.013 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.862 5.332 -3.242 1.00 0.00 H new ATOM 638 N ILE A 43 10.439 2.798 -3.251 1.00 0.00 N ATOM 639 CA ILE A 43 11.184 1.661 -3.790 1.00 0.00 C ATOM 640 C ILE A 43 11.036 0.440 -2.887 1.00 0.00 C ATOM 641 O ILE A 43 10.838 -0.680 -3.363 1.00 0.00 O ATOM 642 CB ILE A 43 12.684 1.994 -3.954 1.00 0.00 C ATOM 643 CG1 ILE A 43 12.872 3.229 -4.839 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.436 0.805 -4.536 1.00 0.00 C ATOM 645 CD1 ILE A 43 12.371 3.045 -6.256 1.00 0.00 C ATOM 0 H ILE A 43 10.966 3.671 -3.222 1.00 0.00 H new ATOM 0 HA ILE A 43 10.765 1.439 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 43 13.093 2.213 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.351 4.072 -4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.931 3.486 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.490 1.059 -4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.335 -0.051 -3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.021 0.555 -5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.538 3.961 -6.823 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.909 2.223 -6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.305 2.818 -6.238 1.00 0.00 H new ATOM 657 N ALA A 44 11.119 0.665 -1.579 1.00 0.00 N ATOM 658 CA ALA A 44 10.978 -0.414 -0.612 1.00 0.00 C ATOM 659 C ALA A 44 9.633 -1.107 -0.783 1.00 0.00 C ATOM 660 O ALA A 44 9.577 -2.273 -1.174 1.00 0.00 O ATOM 661 CB ALA A 44 11.129 0.119 0.802 1.00 0.00 C ATOM 0 H ALA A 44 11.283 1.584 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 44 11.767 -1.145 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.021 -0.700 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.114 0.572 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.361 0.868 0.992 1.00 0.00 H new ATOM 667 N GLU A 45 8.549 -0.376 -0.489 1.00 0.00 N ATOM 668 CA GLU A 45 7.188 -0.910 -0.613 1.00 0.00 C ATOM 669 C GLU A 45 7.117 -1.938 -1.734 1.00 0.00 C ATOM 670 O GLU A 45 6.554 -3.020 -1.566 1.00 0.00 O ATOM 671 CB GLU A 45 6.195 0.225 -0.876 1.00 0.00 C ATOM 672 CG GLU A 45 4.772 -0.252 -1.136 1.00 0.00 C ATOM 673 CD GLU A 45 4.049 -0.640 0.137 1.00 0.00 C ATOM 674 OE1 GLU A 45 3.901 0.228 1.021 1.00 0.00 O ATOM 675 OE2 GLU A 45 3.633 -1.812 0.251 1.00 0.00 O ATOM 0 H GLU A 45 8.590 0.590 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 45 6.924 -1.400 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.192 0.898 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.537 0.803 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.214 0.537 -1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.797 -1.107 -1.811 1.00 0.00 H new ATOM 682 N GLY A 46 7.725 -1.603 -2.866 1.00 0.00 N ATOM 683 CA GLY A 46 7.747 -2.528 -3.983 1.00 0.00 C ATOM 684 C GLY A 46 8.454 -3.816 -3.605 1.00 0.00 C ATOM 685 O GLY A 46 7.818 -4.850 -3.401 1.00 0.00 O ATOM 0 H GLY A 46 8.199 -0.715 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.727 -2.747 -4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.252 -2.067 -4.832 1.00 0.00 H new ATOM 689 N GLN A 47 9.781 -3.744 -3.519 1.00 0.00 N ATOM 690 CA GLN A 47 10.616 -4.895 -3.170 1.00 0.00 C ATOM 691 C GLN A 47 10.105 -5.667 -1.944 1.00 0.00 C ATOM 692 O GLN A 47 10.592 -6.763 -1.661 1.00 0.00 O ATOM 693 CB GLN A 47 12.052 -4.429 -2.921 1.00 0.00 C ATOM 694 CG GLN A 47 13.087 -5.220 -3.699 1.00 0.00 C ATOM 695 CD GLN A 47 13.099 -6.690 -3.325 1.00 0.00 C ATOM 696 OE1 GLN A 47 13.633 -7.072 -2.284 1.00 0.00 O ATOM 697 NE2 GLN A 47 12.507 -7.522 -4.173 1.00 0.00 N ATOM 0 H GLN A 47 10.309 -2.888 -3.689 1.00 0.00 H new ATOM 0 HA GLN A 47 10.574 -5.583 -4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.135 -3.375 -3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.272 -4.507 -1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.887 -5.122 -4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.074 -4.795 -3.519 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.077 -7.161 -5.025 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.482 -8.522 -3.973 1.00 0.00 H new ATOM 706 N VAL A 48 9.147 -5.106 -1.208 1.00 0.00 N ATOM 707 CA VAL A 48 8.627 -5.776 -0.018 1.00 0.00 C ATOM 708 C VAL A 48 7.691 -6.940 -0.385 1.00 0.00 C ATOM 709 O VAL A 48 8.172 -8.024 -0.714 1.00 0.00 O ATOM 710 CB VAL A 48 7.920 -4.793 0.937 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.505 -5.508 2.216 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.826 -3.609 1.252 1.00 0.00 C ATOM 0 H VAL A 48 8.720 -4.202 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 48 9.489 -6.187 0.508 1.00 0.00 H new ATOM 0 HB VAL A 48 7.024 -4.414 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.007 -4.803 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.822 -6.322 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.389 -5.912 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.311 -2.926 1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.740 -3.966 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.076 -3.087 0.329 1.00 0.00 H new ATOM 722 N LYS A 49 6.367 -6.741 -0.336 1.00 0.00 N ATOM 723 CA LYS A 49 5.436 -7.822 -0.673 1.00 0.00 C ATOM 724 C LYS A 49 4.042 -7.289 -1.006 1.00 0.00 C ATOM 725 O LYS A 49 3.527 -6.403 -0.324 1.00 0.00 O ATOM 726 CB LYS A 49 5.336 -8.814 0.495 1.00 0.00 C ATOM 727 CG LYS A 49 6.257 -10.018 0.366 1.00 0.00 C ATOM 728 CD LYS A 49 5.988 -10.791 -0.912 1.00 0.00 C ATOM 729 CE LYS A 49 6.604 -12.181 -0.865 1.00 0.00 C ATOM 730 NZ LYS A 49 5.681 -13.180 -0.260 1.00 0.00 N ATOM 0 H LYS A 49 5.925 -5.860 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 49 5.827 -8.325 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.567 -8.291 1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.307 -9.164 0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.295 -9.686 0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.121 -10.675 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.912 -10.874 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.392 -10.242 -1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.867 -12.495 -1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.530 -12.148 -0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.140 -14.113 -0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.450 -12.895 0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.808 -13.231 -0.822 1.00 0.00 H new ATOM 744 N VAL A 50 3.420 -7.861 -2.041 1.00 0.00 N ATOM 745 CA VAL A 50 2.075 -7.471 -2.439 1.00 0.00 C ATOM 746 C VAL A 50 1.205 -8.718 -2.527 1.00 0.00 C ATOM 747 O VAL A 50 1.706 -9.803 -2.817 1.00 0.00 O ATOM 748 CB VAL A 50 2.060 -6.724 -3.791 1.00 0.00 C ATOM 749 CG1 VAL A 50 0.657 -6.247 -4.131 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.036 -5.554 -3.765 1.00 0.00 C ATOM 0 H VAL A 50 3.832 -8.596 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 50 1.685 -6.784 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 50 2.377 -7.419 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.672 -5.724 -5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.013 -7.104 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.304 -5.570 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.012 -5.039 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.751 -4.860 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.044 -5.925 -3.577 1.00 0.00 H new ATOM 760 N ASP A 51 -0.080 -8.575 -2.227 1.00 0.00 N ATOM 761 CA ASP A 51 -1.002 -9.711 -2.225 1.00 0.00 C ATOM 762 C ASP A 51 -0.823 -10.625 -3.433 1.00 0.00 C ATOM 763 O ASP A 51 -1.521 -10.489 -4.437 1.00 0.00 O ATOM 764 CB ASP A 51 -2.443 -9.214 -2.189 1.00 0.00 C ATOM 765 CG ASP A 51 -3.398 -10.234 -1.599 1.00 0.00 C ATOM 766 OD1 ASP A 51 -2.977 -10.991 -0.699 1.00 0.00 O ATOM 767 OD2 ASP A 51 -4.567 -10.274 -2.038 1.00 0.00 O ATOM 0 H ASP A 51 -0.511 -7.684 -1.981 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.773 -10.294 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.492 -8.295 -1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.763 -8.965 -3.201 1.00 0.00 H new ATOM 772 N GLY A 52 0.090 -11.585 -3.308 1.00 0.00 N ATOM 773 CA GLY A 52 0.312 -12.539 -4.375 1.00 0.00 C ATOM 774 C GLY A 52 1.541 -12.270 -5.225 1.00 0.00 C ATOM 775 O GLY A 52 2.003 -13.170 -5.926 1.00 0.00 O ATOM 0 H GLY A 52 0.679 -11.717 -2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.399 -13.535 -3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.565 -12.549 -5.022 1.00 0.00 H new ATOM 779 N ALA A 53 2.071 -11.046 -5.205 1.00 0.00 N ATOM 780 CA ALA A 53 3.235 -10.745 -6.031 1.00 0.00 C ATOM 781 C ALA A 53 4.174 -9.730 -5.391 1.00 0.00 C ATOM 782 O ALA A 53 3.738 -8.718 -4.850 1.00 0.00 O ATOM 783 CB ALA A 53 2.785 -10.256 -7.400 1.00 0.00 C ATOM 0 H ALA A 53 1.724 -10.269 -4.643 1.00 0.00 H new ATOM 0 HA ALA A 53 3.801 -11.671 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.659 -10.033 -8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.190 -11.030 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.183 -9.355 -7.285 1.00 0.00 H new ATOM 789 N VAL A 54 5.470 -10.002 -5.476 1.00 0.00 N ATOM 790 CA VAL A 54 6.477 -9.104 -4.930 1.00 0.00 C ATOM 791 C VAL A 54 7.211 -8.386 -6.058 1.00 0.00 C ATOM 792 O VAL A 54 7.994 -8.996 -6.788 1.00 0.00 O ATOM 793 CB VAL A 54 7.500 -9.864 -4.062 1.00 0.00 C ATOM 794 CG1 VAL A 54 8.249 -10.900 -4.887 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.467 -8.893 -3.402 1.00 0.00 C ATOM 0 H VAL A 54 5.848 -10.839 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 54 5.962 -8.377 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 54 6.957 -10.391 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.965 -11.423 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.540 -11.617 -5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.780 -10.404 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.181 -9.448 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.002 -8.334 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.912 -8.201 -2.769 1.00 0.00 H new ATOM 805 N GLU A 55 6.952 -7.093 -6.208 1.00 0.00 N ATOM 806 CA GLU A 55 7.590 -6.310 -7.259 1.00 0.00 C ATOM 807 C GLU A 55 8.712 -5.449 -6.689 1.00 0.00 C ATOM 808 O GLU A 55 9.097 -5.607 -5.533 1.00 0.00 O ATOM 809 CB GLU A 55 6.556 -5.431 -7.966 1.00 0.00 C ATOM 810 CG GLU A 55 5.300 -6.182 -8.378 1.00 0.00 C ATOM 811 CD GLU A 55 4.396 -5.365 -9.281 1.00 0.00 C ATOM 812 OE1 GLU A 55 4.786 -4.238 -9.651 1.00 0.00 O ATOM 813 OE2 GLU A 55 3.297 -5.853 -9.619 1.00 0.00 O ATOM 0 H GLU A 55 6.308 -6.566 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 55 8.023 -7.000 -7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.278 -4.609 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.012 -4.989 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.584 -7.101 -8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.747 -6.473 -7.485 1.00 0.00 H new ATOM 820 N THR A 56 9.236 -4.545 -7.508 1.00 0.00 N ATOM 821 CA THR A 56 10.318 -3.665 -7.076 1.00 0.00 C ATOM 822 C THR A 56 10.481 -2.481 -8.021 1.00 0.00 C ATOM 823 O THR A 56 11.582 -1.959 -8.192 1.00 0.00 O ATOM 824 CB THR A 56 11.633 -4.444 -6.985 1.00 0.00 C ATOM 825 OG1 THR A 56 12.706 -3.584 -6.635 1.00 0.00 O ATOM 826 CG2 THR A 56 12.010 -5.138 -8.276 1.00 0.00 C ATOM 0 H THR A 56 8.932 -4.401 -8.471 1.00 0.00 H new ATOM 0 HA THR A 56 10.059 -3.280 -6.090 1.00 0.00 H new ATOM 0 HB THR A 56 11.464 -5.200 -6.218 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.779 -2.866 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.951 -5.671 -8.141 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.228 -5.846 -8.550 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.122 -4.397 -9.068 1.00 0.00 H new ATOM 834 N ARG A 57 9.381 -2.059 -8.633 1.00 0.00 N ATOM 835 CA ARG A 57 9.410 -0.935 -9.558 1.00 0.00 C ATOM 836 C ARG A 57 9.087 0.370 -8.840 1.00 0.00 C ATOM 837 O ARG A 57 8.664 0.364 -7.684 1.00 0.00 O ATOM 838 CB ARG A 57 8.416 -1.165 -10.697 1.00 0.00 C ATOM 839 CG ARG A 57 8.555 -2.530 -11.352 1.00 0.00 C ATOM 840 CD ARG A 57 8.855 -2.415 -12.838 1.00 0.00 C ATOM 841 NE ARG A 57 7.822 -3.048 -13.653 1.00 0.00 N ATOM 842 CZ ARG A 57 7.559 -4.353 -13.635 1.00 0.00 C ATOM 843 NH1 ARG A 57 8.253 -5.167 -12.848 1.00 0.00 N ATOM 844 NH2 ARG A 57 6.600 -4.846 -14.406 1.00 0.00 N ATOM 0 H ARG A 57 8.460 -2.478 -8.505 1.00 0.00 H new ATOM 0 HA ARG A 57 10.416 -0.860 -9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.402 -1.056 -10.312 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.555 -0.392 -11.452 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.353 -3.089 -10.862 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.635 -3.097 -11.210 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.939 -1.363 -13.111 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.819 -2.877 -13.051 1.00 0.00 H new ATOM 0 HE ARG A 57 7.269 -2.456 -14.273 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.992 -4.793 -12.253 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.047 -6.166 -12.839 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.064 -4.226 -15.013 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.398 -5.846 -14.393 1.00 0.00 H new ATOM 858 N LYS A 58 9.284 1.487 -9.533 1.00 0.00 N ATOM 859 CA LYS A 58 9.008 2.797 -8.957 1.00 0.00 C ATOM 860 C LYS A 58 7.507 3.062 -8.922 1.00 0.00 C ATOM 861 O LYS A 58 6.976 3.553 -7.926 1.00 0.00 O ATOM 862 CB LYS A 58 9.717 3.892 -9.755 1.00 0.00 C ATOM 863 CG LYS A 58 9.901 5.185 -8.975 1.00 0.00 C ATOM 864 CD LYS A 58 11.337 5.682 -9.043 1.00 0.00 C ATOM 865 CE LYS A 58 11.738 6.047 -10.464 1.00 0.00 C ATOM 866 NZ LYS A 58 10.979 7.223 -10.973 1.00 0.00 N ATOM 0 H LYS A 58 9.633 1.511 -10.491 1.00 0.00 H new ATOM 0 HA LYS A 58 9.387 2.807 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.693 3.526 -10.072 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.145 4.100 -10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.232 5.948 -9.373 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.620 5.026 -7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.452 6.553 -8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.007 4.912 -8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.806 6.264 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.567 5.193 -11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.396 7.543 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.986 6.955 -11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.024 7.994 -10.276 1.00 0.00 H new ATOM 880 N ARG A 59 6.829 2.733 -10.017 1.00 0.00 N ATOM 881 CA ARG A 59 5.388 2.932 -10.112 1.00 0.00 C ATOM 882 C ARG A 59 4.647 1.615 -9.915 1.00 0.00 C ATOM 883 O ARG A 59 5.103 0.562 -10.361 1.00 0.00 O ATOM 884 CB ARG A 59 5.020 3.537 -11.468 1.00 0.00 C ATOM 885 CG ARG A 59 5.743 4.840 -11.772 1.00 0.00 C ATOM 886 CD ARG A 59 6.799 4.653 -12.851 1.00 0.00 C ATOM 887 NE ARG A 59 7.282 5.930 -13.370 1.00 0.00 N ATOM 888 CZ ARG A 59 7.941 6.062 -14.519 1.00 0.00 C ATOM 889 NH1 ARG A 59 8.201 4.999 -15.271 1.00 0.00 N ATOM 890 NH2 ARG A 59 8.341 7.262 -14.918 1.00 0.00 N ATOM 0 H ARG A 59 7.255 2.328 -10.851 1.00 0.00 H new ATOM 0 HA ARG A 59 5.090 3.622 -9.323 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.247 2.814 -12.252 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.945 3.713 -11.498 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.022 5.591 -12.094 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.212 5.217 -10.864 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.637 4.087 -12.444 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.382 4.064 -13.668 1.00 0.00 H new ATOM 0 HE ARG A 59 7.104 6.770 -12.820 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.895 4.074 -14.969 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.706 5.108 -16.150 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.144 8.082 -14.345 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.846 7.365 -15.798 1.00 0.00 H new ATOM 904 N CYS A 60 3.504 1.678 -9.239 1.00 0.00 N ATOM 905 CA CYS A 60 2.705 0.490 -8.980 1.00 0.00 C ATOM 906 C CYS A 60 1.544 0.395 -9.960 1.00 0.00 C ATOM 907 O CYS A 60 0.661 1.248 -9.977 1.00 0.00 O ATOM 908 CB CYS A 60 2.174 0.507 -7.545 1.00 0.00 C ATOM 909 SG CYS A 60 2.364 -1.063 -6.670 1.00 0.00 S ATOM 0 H CYS A 60 3.112 2.541 -8.861 1.00 0.00 H new ATOM 0 HA CYS A 60 3.344 -0.383 -9.112 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.692 1.287 -6.987 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.118 0.775 -7.563 1.00 0.00 H new ATOM 0 HG CYS A 60 1.888 -0.949 -5.466 1.00 0.00 H new ATOM 915 N LYS A 61 1.548 -0.646 -10.773 1.00 0.00 N ATOM 916 CA LYS A 61 0.488 -0.846 -11.745 1.00 0.00 C ATOM 917 C LYS A 61 -0.458 -1.936 -11.262 1.00 0.00 C ATOM 918 O LYS A 61 -0.387 -3.082 -11.703 1.00 0.00 O ATOM 919 CB LYS A 61 1.076 -1.199 -13.108 1.00 0.00 C ATOM 920 CG LYS A 61 1.778 -0.029 -13.780 1.00 0.00 C ATOM 921 CD LYS A 61 1.278 0.187 -15.197 1.00 0.00 C ATOM 922 CE LYS A 61 1.642 -0.980 -16.099 1.00 0.00 C ATOM 923 NZ LYS A 61 0.953 -0.900 -17.416 1.00 0.00 N ATOM 0 H LYS A 61 2.272 -1.365 -10.780 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.077 0.080 -11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.784 -2.019 -12.989 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.278 -1.558 -13.759 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.617 0.877 -13.195 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.853 -0.210 -13.797 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.196 0.316 -15.186 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.705 1.106 -15.599 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.721 -0.996 -16.254 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.377 -1.916 -15.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.228 -1.714 -18.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.077 -0.910 -17.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.226 -0.019 -17.898 1.00 0.00 H new ATOM 937 N ILE A 62 -1.338 -1.562 -10.341 1.00 0.00 N ATOM 938 CA ILE A 62 -2.299 -2.494 -9.771 1.00 0.00 C ATOM 939 C ILE A 62 -3.665 -1.846 -9.613 1.00 0.00 C ATOM 940 O ILE A 62 -3.770 -0.644 -9.366 1.00 0.00 O ATOM 941 CB ILE A 62 -1.842 -2.994 -8.387 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.405 -3.516 -8.444 1.00 0.00 C ATOM 943 CG2 ILE A 62 -2.783 -4.078 -7.876 1.00 0.00 C ATOM 944 CD1 ILE A 62 0.277 -3.554 -7.094 1.00 0.00 C ATOM 0 H ILE A 62 -1.405 -0.613 -9.972 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.365 -3.334 -10.462 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.871 -2.153 -7.694 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.408 -4.520 -8.869 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.176 -2.886 -9.118 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.446 -4.420 -6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.792 -3.674 -7.792 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.785 -4.916 -8.573 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.292 -3.934 -7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.312 -2.548 -6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.281 -4.207 -6.423 1.00 0.00 H new ATOM 956 N VAL A 63 -4.710 -2.653 -9.730 1.00 0.00 N ATOM 957 CA VAL A 63 -6.068 -2.160 -9.574 1.00 0.00 C ATOM 958 C VAL A 63 -6.986 -3.263 -9.051 1.00 0.00 C ATOM 959 O VAL A 63 -6.569 -4.412 -8.918 1.00 0.00 O ATOM 960 CB VAL A 63 -6.648 -1.602 -10.892 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.192 -0.167 -11.109 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.264 -2.478 -12.079 1.00 0.00 C ATOM 0 H VAL A 63 -4.642 -3.650 -9.932 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.019 -1.344 -8.853 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.735 -1.611 -10.812 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.610 0.210 -12.042 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.535 0.453 -10.281 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.104 -0.135 -11.160 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.687 -2.059 -12.992 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.178 -2.517 -12.167 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.652 -3.485 -11.928 1.00 0.00 H new ATOM 972 N ALA A 64 -8.240 -2.912 -8.768 1.00 0.00 N ATOM 973 CA ALA A 64 -9.223 -3.879 -8.273 1.00 0.00 C ATOM 974 C ALA A 64 -9.040 -4.171 -6.774 1.00 0.00 C ATOM 975 O ALA A 64 -8.817 -3.254 -5.984 1.00 0.00 O ATOM 976 CB ALA A 64 -9.165 -5.159 -9.103 1.00 0.00 C ATOM 0 H ALA A 64 -8.601 -1.964 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.214 -3.438 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.900 -5.871 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.385 -4.927 -10.145 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.168 -5.594 -9.031 1.00 0.00 H new ATOM 982 N GLY A 65 -9.162 -5.445 -6.382 1.00 0.00 N ATOM 983 CA GLY A 65 -9.035 -5.813 -4.985 1.00 0.00 C ATOM 984 C GLY A 65 -7.713 -6.477 -4.649 1.00 0.00 C ATOM 985 O GLY A 65 -7.617 -7.705 -4.619 1.00 0.00 O ATOM 0 H GLY A 65 -9.347 -6.225 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.150 -4.920 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.849 -6.488 -4.721 1.00 0.00 H new ATOM 989 N GLN A 66 -6.693 -5.666 -4.396 1.00 0.00 N ATOM 990 CA GLN A 66 -5.367 -6.184 -4.060 1.00 0.00 C ATOM 991 C GLN A 66 -4.901 -5.666 -2.698 1.00 0.00 C ATOM 992 O GLN A 66 -5.449 -4.700 -2.172 1.00 0.00 O ATOM 993 CB GLN A 66 -4.352 -5.786 -5.134 1.00 0.00 C ATOM 994 CG GLN A 66 -4.311 -6.737 -6.320 1.00 0.00 C ATOM 995 CD GLN A 66 -3.820 -8.121 -5.942 1.00 0.00 C ATOM 996 OE1 GLN A 66 -2.804 -8.267 -5.265 1.00 0.00 O ATOM 997 NE2 GLN A 66 -4.542 -9.145 -6.383 1.00 0.00 N ATOM 0 H GLN A 66 -6.756 -4.648 -4.416 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.437 -7.271 -4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.589 -4.784 -5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.360 -5.738 -4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.308 -6.815 -6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.661 -6.323 -7.091 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.378 -8.976 -6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.260 -10.100 -6.163 1.00 0.00 H new ATOM 1006 N THR A 67 -3.890 -6.324 -2.132 1.00 0.00 N ATOM 1007 CA THR A 67 -3.350 -5.939 -0.825 1.00 0.00 C ATOM 1008 C THR A 67 -1.878 -5.548 -0.928 1.00 0.00 C ATOM 1009 O THR A 67 -1.107 -6.185 -1.640 1.00 0.00 O ATOM 1010 CB THR A 67 -3.501 -7.087 0.181 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.801 -7.646 0.124 1.00 0.00 O ATOM 1012 CG2 THR A 67 -3.236 -6.673 1.612 1.00 0.00 C ATOM 0 H THR A 67 -3.427 -7.127 -2.557 1.00 0.00 H new ATOM 0 HA THR A 67 -3.919 -5.076 -0.478 1.00 0.00 H new ATOM 0 HB THR A 67 -2.748 -7.820 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.872 -8.377 0.773 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.361 -7.534 2.269 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.217 -6.295 1.699 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.939 -5.891 1.901 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.498 -4.502 -0.202 1.00 0.00 N ATOM 1021 CA VAL A 68 -0.117 -4.022 -0.196 1.00 0.00 C ATOM 1022 C VAL A 68 0.533 -4.295 1.154 1.00 0.00 C ATOM 1023 O VAL A 68 -0.085 -4.092 2.198 1.00 0.00 O ATOM 1024 CB VAL A 68 -0.026 -2.505 -0.494 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.924 -2.243 -1.653 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -1.400 -1.920 -0.780 1.00 0.00 C ATOM 0 H VAL A 68 -2.130 -3.966 0.394 1.00 0.00 H new ATOM 0 HA VAL A 68 0.408 -4.561 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 68 0.370 -2.010 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.974 -1.172 -1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.918 -2.613 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.562 -2.756 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.306 -0.854 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.835 -2.420 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.045 -2.067 0.086 1.00 0.00 H new ATOM 1036 N SER A 69 1.779 -4.759 1.136 1.00 0.00 N ATOM 1037 CA SER A 69 2.480 -5.056 2.379 1.00 0.00 C ATOM 1038 C SER A 69 3.884 -4.456 2.399 1.00 0.00 C ATOM 1039 O SER A 69 4.678 -4.672 1.479 1.00 0.00 O ATOM 1040 CB SER A 69 2.566 -6.568 2.595 1.00 0.00 C ATOM 1041 OG SER A 69 1.425 -7.055 3.278 1.00 0.00 O ATOM 0 H SER A 69 2.317 -4.935 0.287 1.00 0.00 H new ATOM 0 HA SER A 69 1.907 -4.602 3.188 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.658 -7.071 1.632 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.464 -6.806 3.166 1.00 0.00 H new ATOM 0 HG SER A 69 1.506 -8.024 3.401 1.00 0.00 H new ATOM 1047 N PHE A 70 4.185 -3.716 3.469 1.00 0.00 N ATOM 1048 CA PHE A 70 5.497 -3.097 3.635 1.00 0.00 C ATOM 1049 C PHE A 70 5.615 -2.395 4.992 1.00 0.00 C ATOM 1050 O PHE A 70 4.748 -1.609 5.375 1.00 0.00 O ATOM 1051 CB PHE A 70 5.784 -2.103 2.503 1.00 0.00 C ATOM 1052 CG PHE A 70 6.968 -1.216 2.778 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.091 -1.716 3.417 1.00 0.00 C ATOM 1054 CD2 PHE A 70 6.950 0.116 2.411 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.174 -0.904 3.684 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.031 0.932 2.674 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.144 0.423 3.312 1.00 0.00 C ATOM 0 H PHE A 70 3.535 -3.532 4.233 1.00 0.00 H new ATOM 0 HA PHE A 70 6.239 -3.895 3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.959 -2.655 1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.903 -1.482 2.342 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.119 -2.755 3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.082 0.522 1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.043 -1.307 4.183 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.006 1.971 2.380 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.989 1.063 3.519 1.00 0.00 H new ATOM 1067 N ALA A 71 6.703 -2.685 5.706 1.00 0.00 N ATOM 1068 CA ALA A 71 6.957 -2.088 7.016 1.00 0.00 C ATOM 1069 C ALA A 71 5.811 -2.361 7.983 1.00 0.00 C ATOM 1070 O ALA A 71 5.356 -1.466 8.696 1.00 0.00 O ATOM 1071 CB ALA A 71 7.198 -0.590 6.880 1.00 0.00 C ATOM 0 H ALA A 71 7.426 -3.334 5.396 1.00 0.00 H new ATOM 0 HA ALA A 71 7.854 -2.551 7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.385 -0.161 7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.062 -0.417 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.319 -0.119 6.440 1.00 0.00 H new ATOM 1077 N GLY A 72 5.344 -3.604 8.001 1.00 0.00 N ATOM 1078 CA GLY A 72 4.253 -3.970 8.884 1.00 0.00 C ATOM 1079 C GLY A 72 2.932 -3.363 8.466 1.00 0.00 C ATOM 1080 O GLY A 72 1.920 -3.548 9.143 1.00 0.00 O ATOM 0 H GLY A 72 5.701 -4.364 7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.158 -5.056 8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.490 -3.650 9.899 1.00 0.00 H new ATOM 1084 N HIS A 73 2.933 -2.625 7.362 1.00 0.00 N ATOM 1085 CA HIS A 73 1.720 -1.990 6.891 1.00 0.00 C ATOM 1086 C HIS A 73 1.012 -2.858 5.854 1.00 0.00 C ATOM 1087 O HIS A 73 1.363 -2.843 4.674 1.00 0.00 O ATOM 1088 CB HIS A 73 2.036 -0.617 6.289 1.00 0.00 C ATOM 1089 CG HIS A 73 2.654 0.344 7.255 1.00 0.00 C ATOM 1090 ND1 HIS A 73 2.477 0.265 8.620 1.00 0.00 N ATOM 1091 CD2 HIS A 73 3.455 1.418 7.046 1.00 0.00 C ATOM 1092 CE1 HIS A 73 3.139 1.244 9.209 1.00 0.00 C ATOM 1093 NE2 HIS A 73 3.742 1.959 8.276 1.00 0.00 N ATOM 0 H HIS A 73 3.756 -2.456 6.784 1.00 0.00 H new ATOM 0 HA HIS A 73 1.056 -1.863 7.746 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.710 -0.749 5.443 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.116 -0.182 5.899 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.803 1.781 6.090 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.180 1.429 10.272 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.326 2.779 8.442 1.00 0.00 H new ATOM 1101 N SER A 74 0.008 -3.603 6.302 1.00 0.00 N ATOM 1102 CA SER A 74 -0.764 -4.464 5.415 1.00 0.00 C ATOM 1103 C SER A 74 -2.108 -3.809 5.106 1.00 0.00 C ATOM 1104 O SER A 74 -3.019 -3.822 5.934 1.00 0.00 O ATOM 1105 CB SER A 74 -0.975 -5.842 6.048 1.00 0.00 C ATOM 1106 OG SER A 74 -0.164 -6.006 7.199 1.00 0.00 O ATOM 0 H SER A 74 -0.291 -3.628 7.277 1.00 0.00 H new ATOM 0 HA SER A 74 -0.210 -4.600 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.024 -5.964 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.740 -6.619 5.321 1.00 0.00 H new ATOM 0 HG SER A 74 -0.319 -6.893 7.585 1.00 0.00 H new ATOM 1112 N VAL A 75 -2.216 -3.215 3.922 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.438 -2.527 3.517 1.00 0.00 C ATOM 1114 C VAL A 75 -4.030 -3.135 2.251 1.00 0.00 C ATOM 1115 O VAL A 75 -3.304 -3.610 1.384 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.159 -1.033 3.264 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.439 -0.277 2.953 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.437 -0.417 4.451 1.00 0.00 C ATOM 0 H VAL A 75 -1.472 -3.196 3.225 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.153 -2.640 4.332 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.512 -0.954 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.208 0.774 2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.903 -0.698 2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.126 -0.363 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.248 0.638 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.055 -0.515 5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.489 -0.932 4.608 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.356 -3.106 2.147 1.00 0.00 N ATOM 1129 CA GLN A 76 -6.041 -3.654 0.983 1.00 0.00 C ATOM 1130 C GLN A 76 -6.690 -2.543 0.169 1.00 0.00 C ATOM 1131 O GLN A 76 -7.152 -1.544 0.720 1.00 0.00 O ATOM 1132 CB GLN A 76 -7.104 -4.665 1.421 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.536 -6.031 1.764 1.00 0.00 C ATOM 1134 CD GLN A 76 -6.353 -6.233 3.255 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -5.404 -5.723 3.850 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -7.262 -6.985 3.867 1.00 0.00 N ATOM 0 H GLN A 76 -5.975 -2.709 2.854 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.303 -4.159 0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.632 -4.271 2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.839 -4.776 0.624 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.200 -6.803 1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.575 -6.156 1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.033 -7.388 3.334 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.189 -7.159 4.869 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.712 -2.719 -1.149 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.293 -1.723 -2.038 1.00 0.00 C ATOM 1147 C VAL A 77 -8.437 -2.309 -2.854 1.00 0.00 C ATOM 1148 O VAL A 77 -8.400 -3.475 -3.238 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.252 -1.146 -3.017 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.802 0.099 -3.695 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -4.937 -0.845 -2.310 1.00 0.00 C ATOM 0 H VAL A 77 -6.335 -3.540 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.664 -0.925 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.049 -1.896 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.057 0.497 -4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.707 -0.157 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.037 0.850 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.223 -0.439 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.109 -0.117 -1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.537 -1.763 -1.879 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.445 -1.482 -3.124 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.601 -1.908 -3.905 1.00 0.00 C ATOM 1163 C VAL A 78 -10.875 -0.935 -5.050 1.00 0.00 C ATOM 1164 O VAL A 78 -10.470 0.225 -4.998 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.865 -2.018 -3.034 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.789 -3.239 -2.127 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -12.067 -0.747 -2.221 1.00 0.00 C ATOM 0 H VAL A 78 -9.483 -0.512 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.362 -2.892 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.726 -2.140 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.692 -3.298 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.701 -4.139 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.919 -3.155 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.966 -0.844 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.205 -0.588 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.176 0.103 -2.895 1.00 0.00 H new ATOM 1177 N ALA A 79 -11.566 -1.414 -6.079 1.00 0.00 N ATOM 1178 CA ALA A 79 -11.894 -0.582 -7.233 1.00 0.00 C ATOM 1179 C ALA A 79 -13.135 0.265 -6.963 1.00 0.00 C ATOM 1180 O ALA A 79 -13.960 0.418 -7.888 1.00 0.00 O ATOM 1181 CB ALA A 79 -12.096 -1.444 -8.470 1.00 0.00 C ATOM 1182 OXT ALA A 79 -13.270 0.768 -5.828 1.00 0.00 O ATOM 0 H ALA A 79 -11.910 -2.373 -6.138 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.057 0.093 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.340 -0.808 -9.321 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.181 -1.998 -8.681 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.912 -2.145 -8.296 1.00 0.00 H new TER 1188 ALA A 79