USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 571 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 SER N :NH3+ -119:sc= 0.0869 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.19) USER MOD Single : A 5 THR OG1 : rot -58:sc= -0.0456! USER MOD Single : A 8 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.075) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -3.94! K(o=-3.9!,f=-2.2) USER MOD Single : A 24 ASN : amide:sc= -11! C(o=-11!,f=-12!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0938 USER MOD Single : A 29 SER OG : rot 41:sc= -0.831 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 98:sc= 1.28 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -70:sc= 1.02 USER MOD Single : A 44 SER OG : rot 180:sc= -0.029 USER MOD Single : A 49 ASN : amide:sc= -0.944 K(o=-0.94,f=-3.4!) USER MOD Single : A 52 MET CE :methyl -162:sc= -6.1! (180deg=-7.11!) USER MOD Single : A 53 ASN : amide:sc= -0.0401 K(o=-0.04,f=-2.5!) USER MOD Single : A 60 ASN : amide:sc= -7.6! C(o=-7.6!,f=-14!) USER MOD Single : A 61 HIS : no HD1:sc= -1.89! C(o=-1.9!,f=-2.8!) USER MOD Single : A 62 GLN : amide:sc= -0.873 K(o=-0.87,f=-0.21) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -122:sc= -2.02 (180deg=-5.07!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 75 GLN : amide:sc= -2.03 K(o=-2,f=-2.7!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.876 -2.307 -27.129 1.00 0.00 N ATOM 2 CA SER A 1 -13.165 -2.979 -26.003 1.00 0.00 C ATOM 3 C SER A 1 -14.159 -3.773 -25.150 1.00 0.00 C ATOM 4 O SER A 1 -15.336 -3.833 -25.445 1.00 0.00 O ATOM 5 CB SER A 1 -12.549 -1.843 -25.190 1.00 0.00 C ATOM 6 OG SER A 1 -13.587 -1.042 -24.640 1.00 0.00 O ATOM 0 H1 SER A 1 -13.502 -2.657 -28.034 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.893 -2.516 -27.071 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.730 -1.279 -27.068 1.00 0.00 H new ATOM 0 HA SER A 1 -12.411 -3.685 -26.352 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.925 -2.248 -24.393 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.903 -1.236 -25.824 1.00 0.00 H new ATOM 0 HG SER A 1 -13.195 -0.313 -24.116 1.00 0.00 H new ATOM 14 N SER A 2 -13.694 -4.383 -24.094 1.00 0.00 N ATOM 15 CA SER A 2 -14.613 -5.172 -23.223 1.00 0.00 C ATOM 16 C SER A 2 -15.550 -4.234 -22.459 1.00 0.00 C ATOM 17 O SER A 2 -16.707 -4.085 -22.800 1.00 0.00 O ATOM 18 CB SER A 2 -13.695 -5.918 -22.255 1.00 0.00 C ATOM 19 OG SER A 2 -14.487 -6.665 -21.341 1.00 0.00 O ATOM 0 H SER A 2 -12.718 -4.370 -23.796 1.00 0.00 H new ATOM 0 HA SER A 2 -15.243 -5.853 -23.795 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.029 -6.583 -22.806 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.065 -5.211 -21.715 1.00 0.00 H new ATOM 0 HG SER A 2 -13.902 -7.147 -20.719 1.00 0.00 H new ATOM 25 N ASN A 3 -15.062 -3.603 -21.426 1.00 0.00 N ATOM 26 CA ASN A 3 -15.928 -2.676 -20.641 1.00 0.00 C ATOM 27 C ASN A 3 -15.122 -2.029 -19.511 1.00 0.00 C ATOM 28 O ASN A 3 -14.044 -2.471 -19.173 1.00 0.00 O ATOM 29 CB ASN A 3 -17.039 -3.559 -20.071 1.00 0.00 C ATOM 30 CG ASN A 3 -18.397 -3.041 -20.546 1.00 0.00 C ATOM 31 OD1 ASN A 3 -18.891 -2.049 -20.048 1.00 0.00 O ATOM 32 ND2 ASN A 3 -19.028 -3.676 -21.497 1.00 0.00 N ATOM 0 H ASN A 3 -14.102 -3.689 -21.091 1.00 0.00 H new ATOM 0 HA ASN A 3 -16.325 -1.865 -21.251 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -16.899 -4.591 -20.393 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -16.998 -3.556 -18.982 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -19.935 -3.339 -21.821 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -18.614 -4.509 -21.916 1.00 0.00 H new ATOM 39 N LEU A 4 -15.639 -0.983 -18.926 1.00 0.00 N ATOM 40 CA LEU A 4 -14.904 -0.307 -17.819 1.00 0.00 C ATOM 41 C LEU A 4 -15.601 -0.576 -16.482 1.00 0.00 C ATOM 42 O LEU A 4 -16.010 -1.684 -16.199 1.00 0.00 O ATOM 43 CB LEU A 4 -14.950 1.181 -18.168 1.00 0.00 C ATOM 44 CG LEU A 4 -14.457 1.386 -19.601 1.00 0.00 C ATOM 45 CD1 LEU A 4 -15.625 1.830 -20.483 1.00 0.00 C ATOM 46 CD2 LEU A 4 -13.370 2.462 -19.616 1.00 0.00 C ATOM 0 H LEU A 4 -16.539 -0.567 -19.167 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.880 -0.667 -17.717 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.968 1.558 -18.065 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.329 1.747 -17.474 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.048 0.450 -19.983 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -15.274 1.976 -21.505 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.401 1.065 -20.472 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.033 2.766 -20.102 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.018 2.609 -20.637 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.779 3.398 -19.235 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.538 2.147 -18.987 1.00 0.00 H new ATOM 58 N THR A 5 -15.742 0.426 -15.656 1.00 0.00 N ATOM 59 CA THR A 5 -16.419 0.219 -14.342 1.00 0.00 C ATOM 60 C THR A 5 -15.853 -1.022 -13.644 1.00 0.00 C ATOM 61 O THR A 5 -14.669 -1.286 -13.698 1.00 0.00 O ATOM 62 CB THR A 5 -17.903 0.016 -14.678 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.125 -1.341 -15.036 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.305 0.925 -15.843 1.00 0.00 C ATOM 0 H THR A 5 -15.419 1.377 -15.833 1.00 0.00 H new ATOM 0 HA THR A 5 -16.268 1.062 -13.667 1.00 0.00 H new ATOM 0 HB THR A 5 -18.505 0.268 -13.805 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.559 -1.574 -15.801 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.359 0.775 -16.075 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.139 1.966 -15.566 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.703 0.682 -16.719 1.00 0.00 H new ATOM 72 N GLU A 6 -16.691 -1.783 -12.993 1.00 0.00 N ATOM 73 CA GLU A 6 -16.204 -3.007 -12.293 1.00 0.00 C ATOM 74 C GLU A 6 -15.171 -3.732 -13.157 1.00 0.00 C ATOM 75 O GLU A 6 -14.272 -4.381 -12.660 1.00 0.00 O ATOM 76 CB GLU A 6 -17.452 -3.871 -12.102 1.00 0.00 C ATOM 77 CG GLU A 6 -17.834 -4.530 -13.429 1.00 0.00 C ATOM 78 CD GLU A 6 -18.993 -5.502 -13.202 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.693 -5.338 -12.217 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.161 -6.394 -14.017 1.00 0.00 O ATOM 0 H GLU A 6 -17.693 -1.610 -12.916 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.717 -2.779 -11.345 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.265 -4.634 -11.347 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.277 -3.259 -11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.120 -3.770 -14.156 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.977 -5.060 -13.844 1.00 0.00 H new ATOM 87 N GLU A 7 -15.290 -3.617 -14.449 1.00 0.00 N ATOM 88 CA GLU A 7 -14.315 -4.286 -15.352 1.00 0.00 C ATOM 89 C GLU A 7 -12.965 -3.578 -15.252 1.00 0.00 C ATOM 90 O GLU A 7 -11.933 -4.203 -15.092 1.00 0.00 O ATOM 91 CB GLU A 7 -14.901 -4.135 -16.756 1.00 0.00 C ATOM 92 CG GLU A 7 -14.810 -5.473 -17.494 1.00 0.00 C ATOM 93 CD GLU A 7 -15.829 -6.451 -16.907 1.00 0.00 C ATOM 94 OE1 GLU A 7 -17.012 -6.167 -16.998 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.410 -7.465 -16.377 1.00 0.00 O ATOM 0 H GLU A 7 -16.023 -3.087 -14.920 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.155 -5.334 -15.097 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.940 -3.811 -16.695 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.359 -3.366 -17.307 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.001 -5.327 -18.557 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.804 -5.882 -17.404 1.00 0.00 H new ATOM 102 N GLN A 8 -12.964 -2.276 -15.326 1.00 0.00 N ATOM 103 CA GLN A 8 -11.677 -1.535 -15.218 1.00 0.00 C ATOM 104 C GLN A 8 -11.183 -1.597 -13.771 1.00 0.00 C ATOM 105 O GLN A 8 -10.022 -1.840 -13.509 1.00 0.00 O ATOM 106 CB GLN A 8 -11.989 -0.093 -15.652 1.00 0.00 C ATOM 107 CG GLN A 8 -12.451 0.745 -14.453 1.00 0.00 C ATOM 108 CD GLN A 8 -12.759 2.175 -14.909 1.00 0.00 C ATOM 109 OE1 GLN A 8 -13.462 2.900 -14.235 1.00 0.00 O ATOM 110 NE2 GLN A 8 -12.260 2.615 -16.033 1.00 0.00 N ATOM 0 H GLN A 8 -13.793 -1.696 -15.456 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.890 -1.957 -15.843 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.102 0.358 -16.097 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.764 -0.098 -16.419 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.338 0.297 -14.005 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.677 0.757 -13.686 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.669 2.008 -16.601 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.461 3.566 -16.343 1.00 0.00 H new ATOM 119 N ILE A 9 -12.066 -1.399 -12.829 1.00 0.00 N ATOM 120 CA ILE A 9 -11.658 -1.464 -11.401 1.00 0.00 C ATOM 121 C ILE A 9 -10.976 -2.800 -11.126 1.00 0.00 C ATOM 122 O ILE A 9 -9.814 -2.855 -10.781 1.00 0.00 O ATOM 123 CB ILE A 9 -12.960 -1.364 -10.612 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.608 -0.002 -10.863 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.663 -1.523 -9.120 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.124 -0.125 -10.708 1.00 0.00 C ATOM 0 H ILE A 9 -13.052 -1.195 -12.990 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.957 -0.674 -11.130 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.641 -2.152 -10.933 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.218 0.734 -10.160 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.361 0.352 -11.864 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.592 -1.452 -8.554 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.203 -2.495 -8.942 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.981 -0.735 -8.799 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.588 0.845 -10.887 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.506 -0.848 -11.429 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.360 -0.460 -9.698 1.00 0.00 H new ATOM 138 N ALA A 10 -11.688 -3.882 -11.285 1.00 0.00 N ATOM 139 CA ALA A 10 -11.069 -5.215 -11.037 1.00 0.00 C ATOM 140 C ALA A 10 -9.679 -5.262 -11.675 1.00 0.00 C ATOM 141 O ALA A 10 -8.707 -5.645 -11.050 1.00 0.00 O ATOM 142 CB ALA A 10 -12.005 -6.220 -11.710 1.00 0.00 C ATOM 0 H ALA A 10 -12.666 -3.901 -11.574 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.946 -5.429 -9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.616 -7.229 -11.571 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.997 -6.149 -11.264 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.070 -6.000 -12.776 1.00 0.00 H new ATOM 148 N GLU A 11 -9.577 -4.860 -12.913 1.00 0.00 N ATOM 149 CA GLU A 11 -8.250 -4.869 -13.591 1.00 0.00 C ATOM 150 C GLU A 11 -7.282 -3.955 -12.837 1.00 0.00 C ATOM 151 O GLU A 11 -6.132 -4.288 -12.625 1.00 0.00 O ATOM 152 CB GLU A 11 -8.517 -4.329 -14.996 1.00 0.00 C ATOM 153 CG GLU A 11 -8.198 -5.413 -16.028 1.00 0.00 C ATOM 154 CD GLU A 11 -6.735 -5.836 -15.890 1.00 0.00 C ATOM 155 OE1 GLU A 11 -6.049 -5.263 -15.059 1.00 0.00 O ATOM 156 OE2 GLU A 11 -6.324 -6.724 -16.619 1.00 0.00 O ATOM 0 H GLU A 11 -10.354 -4.526 -13.483 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.801 -5.862 -13.621 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.558 -4.021 -15.087 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.906 -3.445 -15.180 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.851 -6.273 -15.881 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.386 -5.038 -17.034 1.00 0.00 H new ATOM 163 N PHE A 12 -7.743 -2.807 -12.423 1.00 0.00 N ATOM 164 CA PHE A 12 -6.857 -1.873 -11.674 1.00 0.00 C ATOM 165 C PHE A 12 -6.437 -2.514 -10.349 1.00 0.00 C ATOM 166 O PHE A 12 -5.271 -2.549 -10.009 1.00 0.00 O ATOM 167 CB PHE A 12 -7.710 -0.629 -11.429 1.00 0.00 C ATOM 168 CG PHE A 12 -7.872 0.131 -12.725 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.747 0.427 -13.504 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.142 0.538 -13.149 1.00 0.00 C ATOM 171 CE1 PHE A 12 -6.892 1.129 -14.706 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.287 1.241 -14.351 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.162 1.537 -15.129 1.00 0.00 C ATOM 0 H PHE A 12 -8.696 -2.475 -12.571 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.944 -1.632 -12.218 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.686 -0.915 -11.038 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.240 0.006 -10.678 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.767 0.113 -13.177 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.010 0.310 -12.549 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.024 1.356 -15.307 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.267 1.555 -14.678 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.274 2.080 -16.056 1.00 0.00 H new ATOM 183 N LYS A 13 -7.379 -3.027 -9.605 1.00 0.00 N ATOM 184 CA LYS A 13 -7.040 -3.676 -8.307 1.00 0.00 C ATOM 185 C LYS A 13 -5.788 -4.535 -8.482 1.00 0.00 C ATOM 186 O LYS A 13 -4.803 -4.360 -7.794 1.00 0.00 O ATOM 187 CB LYS A 13 -8.249 -4.549 -7.968 1.00 0.00 C ATOM 188 CG LYS A 13 -9.424 -3.658 -7.562 1.00 0.00 C ATOM 189 CD LYS A 13 -10.620 -4.533 -7.181 1.00 0.00 C ATOM 190 CE LYS A 13 -11.376 -3.887 -6.018 1.00 0.00 C ATOM 191 NZ LYS A 13 -12.638 -4.669 -5.897 1.00 0.00 N ATOM 0 H LYS A 13 -8.371 -3.024 -9.841 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.834 -2.954 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.522 -5.160 -8.828 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.001 -5.234 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.141 -3.025 -6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.692 -2.995 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.283 -4.653 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.280 -5.529 -6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.795 -3.930 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.581 -2.835 -6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.211 -4.285 -5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.173 -4.604 -6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.412 -5.665 -5.701 1.00 0.00 H new ATOM 205 N GLU A 14 -5.814 -5.452 -9.411 1.00 0.00 N ATOM 206 CA GLU A 14 -4.613 -6.304 -9.634 1.00 0.00 C ATOM 207 C GLU A 14 -3.396 -5.406 -9.861 1.00 0.00 C ATOM 208 O GLU A 14 -2.334 -5.622 -9.309 1.00 0.00 O ATOM 209 CB GLU A 14 -4.927 -7.117 -10.890 1.00 0.00 C ATOM 210 CG GLU A 14 -5.492 -8.481 -10.488 1.00 0.00 C ATOM 211 CD GLU A 14 -4.744 -9.584 -11.240 1.00 0.00 C ATOM 212 OE1 GLU A 14 -4.981 -9.729 -12.428 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.949 -10.265 -10.615 1.00 0.00 O ATOM 0 H GLU A 14 -6.609 -5.647 -10.020 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.390 -6.952 -8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.646 -6.583 -11.511 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.024 -7.247 -11.487 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.391 -8.626 -9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.557 -8.527 -10.717 1.00 0.00 H new ATOM 220 N ALA A 15 -3.550 -4.386 -10.664 1.00 0.00 N ATOM 221 CA ALA A 15 -2.414 -3.460 -10.919 1.00 0.00 C ATOM 222 C ALA A 15 -2.030 -2.746 -9.623 1.00 0.00 C ATOM 223 O ALA A 15 -0.878 -2.716 -9.238 1.00 0.00 O ATOM 224 CB ALA A 15 -2.939 -2.459 -11.950 1.00 0.00 C ATOM 0 H ALA A 15 -4.415 -4.156 -11.153 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.525 -3.978 -11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.156 -1.740 -12.191 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.235 -2.990 -12.855 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.801 -1.933 -11.540 1.00 0.00 H new ATOM 230 N PHE A 16 -2.987 -2.177 -8.939 1.00 0.00 N ATOM 231 CA PHE A 16 -2.669 -1.477 -7.664 1.00 0.00 C ATOM 232 C PHE A 16 -1.732 -2.343 -6.824 1.00 0.00 C ATOM 233 O PHE A 16 -0.617 -1.963 -6.524 1.00 0.00 O ATOM 234 CB PHE A 16 -4.009 -1.299 -6.949 1.00 0.00 C ATOM 235 CG PHE A 16 -3.755 -0.869 -5.525 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.443 0.466 -5.241 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.822 -1.807 -4.486 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.201 0.865 -3.922 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.581 -1.408 -3.166 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.269 -0.071 -2.885 1.00 0.00 C ATOM 0 H PHE A 16 -3.971 -2.167 -9.208 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.174 -0.520 -7.831 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.614 -0.554 -7.465 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.571 -2.233 -6.965 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.389 1.189 -6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.060 -2.838 -4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.962 1.895 -3.705 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.635 -2.130 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.081 0.237 -1.867 1.00 0.00 H new ATOM 250 N ALA A 17 -2.175 -3.513 -6.446 1.00 0.00 N ATOM 251 CA ALA A 17 -1.306 -4.407 -5.633 1.00 0.00 C ATOM 252 C ALA A 17 0.109 -4.410 -6.210 1.00 0.00 C ATOM 253 O ALA A 17 1.078 -4.201 -5.505 1.00 0.00 O ATOM 254 CB ALA A 17 -1.940 -5.794 -5.751 1.00 0.00 C ATOM 0 H ALA A 17 -3.099 -3.886 -6.665 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.231 -4.087 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.355 -6.512 -5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.958 -5.763 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.960 -6.097 -6.798 1.00 0.00 H new ATOM 260 N LEU A 18 0.237 -4.633 -7.490 1.00 0.00 N ATOM 261 CA LEU A 18 1.593 -4.634 -8.108 1.00 0.00 C ATOM 262 C LEU A 18 2.370 -3.402 -7.641 1.00 0.00 C ATOM 263 O LEU A 18 3.542 -3.475 -7.330 1.00 0.00 O ATOM 264 CB LEU A 18 1.343 -4.575 -9.616 1.00 0.00 C ATOM 265 CG LEU A 18 2.292 -5.539 -10.329 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.518 -6.780 -10.775 1.00 0.00 C ATOM 267 CD2 LEU A 18 2.894 -4.847 -11.555 1.00 0.00 C ATOM 0 H LEU A 18 -0.535 -4.814 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 18 2.180 -5.510 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.308 -4.839 -9.834 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.497 -3.560 -9.981 1.00 0.00 H new ATOM 0 HG LEU A 18 3.090 -5.834 -9.648 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.194 -7.467 -11.283 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.087 -7.273 -9.903 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.720 -6.486 -11.457 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.571 -5.533 -12.064 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.095 -4.553 -12.236 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.445 -3.961 -11.239 1.00 0.00 H new ATOM 279 N PHE A 19 1.720 -2.271 -7.579 1.00 0.00 N ATOM 280 CA PHE A 19 2.414 -1.034 -7.122 1.00 0.00 C ATOM 281 C PHE A 19 2.689 -1.122 -5.618 1.00 0.00 C ATOM 282 O PHE A 19 3.788 -0.876 -5.161 1.00 0.00 O ATOM 283 CB PHE A 19 1.436 0.104 -7.420 1.00 0.00 C ATOM 284 CG PHE A 19 1.203 0.196 -8.910 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.272 0.024 -9.797 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.082 0.454 -9.403 1.00 0.00 C ATOM 287 CE1 PHE A 19 2.056 0.111 -11.177 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.298 0.540 -10.784 1.00 0.00 C ATOM 289 CZ PHE A 19 0.772 0.368 -11.671 1.00 0.00 C ATOM 0 H PHE A 19 0.738 -2.151 -7.825 1.00 0.00 H new ATOM 0 HA PHE A 19 3.372 -0.885 -7.620 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.492 -0.070 -6.904 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.835 1.047 -7.045 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.263 -0.176 -9.417 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.907 0.587 -8.718 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.881 -0.020 -11.861 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.289 0.739 -11.165 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.606 0.434 -12.736 1.00 0.00 H new ATOM 299 N ASP A 20 1.696 -1.475 -4.848 1.00 0.00 N ATOM 300 CA ASP A 20 1.893 -1.585 -3.374 1.00 0.00 C ATOM 301 C ASP A 20 2.857 -2.732 -3.060 1.00 0.00 C ATOM 302 O ASP A 20 3.589 -2.695 -2.091 1.00 0.00 O ATOM 303 CB ASP A 20 0.497 -1.876 -2.814 1.00 0.00 C ATOM 304 CG ASP A 20 0.613 -2.480 -1.413 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.667 -2.342 -0.814 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.354 -3.071 -0.963 1.00 0.00 O ATOM 0 H ASP A 20 0.755 -1.692 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 20 2.324 -0.683 -2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.088 -0.957 -2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.033 -2.564 -3.473 1.00 0.00 H new ATOM 311 N LYS A 21 2.866 -3.751 -3.876 1.00 0.00 N ATOM 312 CA LYS A 21 3.785 -4.903 -3.632 1.00 0.00 C ATOM 313 C LYS A 21 3.390 -5.646 -2.351 1.00 0.00 C ATOM 314 O LYS A 21 3.127 -6.832 -2.369 1.00 0.00 O ATOM 315 CB LYS A 21 5.176 -4.281 -3.484 1.00 0.00 C ATOM 316 CG LYS A 21 6.058 -4.727 -4.653 1.00 0.00 C ATOM 317 CD LYS A 21 7.189 -5.613 -4.129 1.00 0.00 C ATOM 318 CE LYS A 21 7.386 -6.802 -5.073 1.00 0.00 C ATOM 319 NZ LYS A 21 7.480 -7.990 -4.180 1.00 0.00 N ATOM 0 H LYS A 21 2.276 -3.837 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 21 3.747 -5.632 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.100 -3.194 -3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.624 -4.586 -2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.462 -5.274 -5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.470 -3.857 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.112 -5.037 -4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.953 -5.967 -3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.552 -6.896 -5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.289 -6.685 -5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.616 -8.846 -4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.286 -7.875 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.603 -8.079 -3.628 1.00 0.00 H new ATOM 333 N ASP A 22 3.349 -4.963 -1.240 1.00 0.00 N ATOM 334 CA ASP A 22 2.974 -5.638 0.036 1.00 0.00 C ATOM 335 C ASP A 22 1.502 -6.054 0.003 1.00 0.00 C ATOM 336 O ASP A 22 1.052 -6.847 0.806 1.00 0.00 O ATOM 337 CB ASP A 22 3.211 -4.591 1.124 1.00 0.00 C ATOM 338 CG ASP A 22 4.559 -3.905 0.891 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.505 -4.601 0.561 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.622 -2.697 1.046 1.00 0.00 O ATOM 0 H ASP A 22 3.559 -3.968 -1.160 1.00 0.00 H new ATOM 0 HA ASP A 22 3.555 -6.544 0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.409 -3.853 1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.197 -5.063 2.106 1.00 0.00 H new ATOM 345 N ASN A 23 0.748 -5.525 -0.922 1.00 0.00 N ATOM 346 CA ASN A 23 -0.696 -5.890 -1.006 1.00 0.00 C ATOM 347 C ASN A 23 -1.424 -5.454 0.265 1.00 0.00 C ATOM 348 O ASN A 23 -2.556 -5.824 0.501 1.00 0.00 O ATOM 349 CB ASN A 23 -0.727 -7.412 -1.126 1.00 0.00 C ATOM 350 CG ASN A 23 0.394 -7.887 -2.057 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.931 -8.962 -1.879 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.769 -7.125 -3.047 1.00 0.00 N ATOM 0 H ASN A 23 1.069 -4.857 -1.623 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.187 -5.404 -1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.610 -7.865 -0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.694 -7.735 -1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.514 -7.432 -3.673 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.317 -6.223 -3.195 1.00 0.00 H new ATOM 359 N ASN A 24 -0.786 -4.665 1.086 1.00 0.00 N ATOM 360 CA ASN A 24 -1.450 -4.202 2.338 1.00 0.00 C ATOM 361 C ASN A 24 -2.611 -3.265 1.996 1.00 0.00 C ATOM 362 O ASN A 24 -3.345 -2.827 2.859 1.00 0.00 O ATOM 363 CB ASN A 24 -0.369 -3.446 3.112 1.00 0.00 C ATOM 364 CG ASN A 24 0.943 -4.230 3.067 1.00 0.00 C ATOM 365 OD1 ASN A 24 2.009 -3.660 3.194 1.00 0.00 O ATOM 366 ND2 ASN A 24 0.912 -5.522 2.888 1.00 0.00 N ATOM 0 H ASN A 24 0.164 -4.322 0.945 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.859 -5.030 2.917 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.226 -2.455 2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.682 -3.302 4.146 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.782 -6.053 2.855 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.018 -6.001 2.781 1.00 0.00 H new ATOM 373 N GLY A 25 -2.781 -2.952 0.740 1.00 0.00 N ATOM 374 CA GLY A 25 -3.890 -2.039 0.342 1.00 0.00 C ATOM 375 C GLY A 25 -3.366 -0.604 0.273 1.00 0.00 C ATOM 376 O GLY A 25 -4.097 0.319 -0.028 1.00 0.00 O ATOM 0 H GLY A 25 -2.200 -3.289 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.292 -2.338 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.707 -2.106 1.061 1.00 0.00 H new ATOM 380 N SER A 26 -2.105 -0.408 0.544 1.00 0.00 N ATOM 381 CA SER A 26 -1.535 0.968 0.488 1.00 0.00 C ATOM 382 C SER A 26 -0.247 0.963 -0.338 1.00 0.00 C ATOM 383 O SER A 26 0.516 0.018 -0.311 1.00 0.00 O ATOM 384 CB SER A 26 -1.244 1.338 1.942 1.00 0.00 C ATOM 385 OG SER A 26 0.053 1.913 2.031 1.00 0.00 O ATOM 0 H SER A 26 -1.444 -1.141 0.802 1.00 0.00 H new ATOM 0 HA SER A 26 -2.213 1.682 0.020 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.992 2.042 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.305 0.452 2.574 1.00 0.00 H new ATOM 0 HG SER A 26 0.241 2.153 2.962 1.00 0.00 H new ATOM 391 N ILE A 27 -0.001 2.010 -1.077 1.00 0.00 N ATOM 392 CA ILE A 27 1.234 2.060 -1.909 1.00 0.00 C ATOM 393 C ILE A 27 2.161 3.179 -1.425 1.00 0.00 C ATOM 394 O ILE A 27 1.720 4.257 -1.079 1.00 0.00 O ATOM 395 CB ILE A 27 0.739 2.353 -3.324 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.012 1.126 -3.875 1.00 0.00 C ATOM 397 CG2 ILE A 27 1.930 2.685 -4.225 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.736 1.511 -5.152 1.00 0.00 C ATOM 0 H ILE A 27 -0.601 2.832 -1.140 1.00 0.00 H new ATOM 0 HA ILE A 27 1.805 1.133 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 27 0.055 3.201 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.726 0.330 -4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.687 0.740 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.576 2.894 -5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.449 3.560 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.615 1.838 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.255 0.638 -5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.461 2.293 -4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.026 1.877 -5.893 1.00 0.00 H new ATOM 410 N SER A 28 3.441 2.931 -1.404 1.00 0.00 N ATOM 411 CA SER A 28 4.397 3.980 -0.948 1.00 0.00 C ATOM 412 C SER A 28 5.370 4.330 -2.077 1.00 0.00 C ATOM 413 O SER A 28 5.140 4.013 -3.227 1.00 0.00 O ATOM 414 CB SER A 28 5.143 3.352 0.229 1.00 0.00 C ATOM 415 OG SER A 28 5.754 4.379 1.000 1.00 0.00 O ATOM 0 H SER A 28 3.867 2.047 -1.683 1.00 0.00 H new ATOM 0 HA SER A 28 3.894 4.904 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.453 2.779 0.848 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.899 2.656 -0.134 1.00 0.00 H new ATOM 0 HG SER A 28 6.232 3.980 1.757 1.00 0.00 H new ATOM 421 N SER A 29 6.455 4.981 -1.758 1.00 0.00 N ATOM 422 CA SER A 29 7.440 5.350 -2.815 1.00 0.00 C ATOM 423 C SER A 29 8.269 4.128 -3.218 1.00 0.00 C ATOM 424 O SER A 29 8.621 3.956 -4.368 1.00 0.00 O ATOM 425 CB SER A 29 8.329 6.414 -2.174 1.00 0.00 C ATOM 426 OG SER A 29 7.917 7.699 -2.618 1.00 0.00 O ATOM 0 H SER A 29 6.702 5.273 -0.813 1.00 0.00 H new ATOM 0 HA SER A 29 6.955 5.715 -3.720 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.263 6.353 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.372 6.242 -2.440 1.00 0.00 H new ATOM 0 HG SER A 29 6.938 7.739 -2.640 1.00 0.00 H new ATOM 432 N SER A 30 8.587 3.278 -2.280 1.00 0.00 N ATOM 433 CA SER A 30 9.396 2.069 -2.610 1.00 0.00 C ATOM 434 C SER A 30 8.518 1.005 -3.273 1.00 0.00 C ATOM 435 O SER A 30 8.980 0.215 -4.072 1.00 0.00 O ATOM 436 CB SER A 30 9.924 1.567 -1.266 1.00 0.00 C ATOM 437 OG SER A 30 11.329 1.373 -1.357 1.00 0.00 O ATOM 0 H SER A 30 8.322 3.368 -1.299 1.00 0.00 H new ATOM 0 HA SER A 30 10.203 2.292 -3.308 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.695 2.287 -0.480 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.433 0.632 -0.995 1.00 0.00 H new ATOM 0 HG SER A 30 11.671 1.053 -0.496 1.00 0.00 H new ATOM 443 N GLU A 31 7.254 0.976 -2.948 1.00 0.00 N ATOM 444 CA GLU A 31 6.351 -0.041 -3.560 1.00 0.00 C ATOM 445 C GLU A 31 6.060 0.323 -5.019 1.00 0.00 C ATOM 446 O GLU A 31 6.130 -0.509 -5.902 1.00 0.00 O ATOM 447 CB GLU A 31 5.069 0.012 -2.728 1.00 0.00 C ATOM 448 CG GLU A 31 5.424 0.010 -1.239 1.00 0.00 C ATOM 449 CD GLU A 31 4.182 -0.339 -0.416 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.137 -0.541 -1.013 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.297 -0.398 0.797 1.00 0.00 O ATOM 0 H GLU A 31 6.808 1.611 -2.286 1.00 0.00 H new ATOM 0 HA GLU A 31 6.793 -1.038 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.499 0.908 -2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.435 -0.843 -2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.216 -0.713 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.805 0.988 -0.944 1.00 0.00 H new ATOM 458 N LEU A 32 5.734 1.559 -5.280 1.00 0.00 N ATOM 459 CA LEU A 32 5.442 1.973 -6.682 1.00 0.00 C ATOM 460 C LEU A 32 6.707 1.872 -7.538 1.00 0.00 C ATOM 461 O LEU A 32 6.671 1.412 -8.662 1.00 0.00 O ATOM 462 CB LEU A 32 4.978 3.426 -6.578 1.00 0.00 C ATOM 463 CG LEU A 32 3.480 3.508 -6.879 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.942 4.867 -6.427 1.00 0.00 C ATOM 465 CD2 LEU A 32 3.252 3.345 -8.383 1.00 0.00 C ATOM 0 H LEU A 32 5.657 2.300 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 32 4.690 1.339 -7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.180 3.813 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.535 4.047 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 32 2.959 2.714 -6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.875 4.925 -6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.104 4.984 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.464 5.661 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.185 3.403 -8.598 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.774 4.138 -8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.635 2.377 -8.706 1.00 0.00 H new ATOM 477 N ALA A 33 7.824 2.297 -7.014 1.00 0.00 N ATOM 478 CA ALA A 33 9.090 2.224 -7.800 1.00 0.00 C ATOM 479 C ALA A 33 9.427 0.765 -8.121 1.00 0.00 C ATOM 480 O ALA A 33 9.930 0.455 -9.182 1.00 0.00 O ATOM 481 CB ALA A 33 10.156 2.833 -6.889 1.00 0.00 C ATOM 0 H ALA A 33 7.916 2.691 -6.078 1.00 0.00 H new ATOM 0 HA ALA A 33 9.018 2.751 -8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.121 2.816 -7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.888 3.863 -6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.221 2.255 -5.967 1.00 0.00 H new ATOM 487 N THR A 34 9.154 -0.131 -7.212 1.00 0.00 N ATOM 488 CA THR A 34 9.460 -1.568 -7.466 1.00 0.00 C ATOM 489 C THR A 34 8.791 -2.030 -8.764 1.00 0.00 C ATOM 490 O THR A 34 9.245 -2.950 -9.415 1.00 0.00 O ATOM 491 CB THR A 34 8.875 -2.315 -6.267 1.00 0.00 C ATOM 492 OG1 THR A 34 9.712 -2.117 -5.136 1.00 0.00 O ATOM 493 CG2 THR A 34 8.789 -3.809 -6.585 1.00 0.00 C ATOM 0 H THR A 34 8.733 0.070 -6.305 1.00 0.00 H new ATOM 0 HA THR A 34 10.529 -1.749 -7.578 1.00 0.00 H new ATOM 0 HB THR A 34 7.876 -1.935 -6.053 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.348 -1.396 -4.582 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.372 -4.340 -5.729 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.148 -3.960 -7.453 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.786 -4.193 -6.799 1.00 0.00 H new ATOM 501 N VAL A 35 7.714 -1.398 -9.145 1.00 0.00 N ATOM 502 CA VAL A 35 7.018 -1.804 -10.400 1.00 0.00 C ATOM 503 C VAL A 35 7.615 -1.064 -11.599 1.00 0.00 C ATOM 504 O VAL A 35 7.228 -1.280 -12.730 1.00 0.00 O ATOM 505 CB VAL A 35 5.559 -1.397 -10.192 1.00 0.00 C ATOM 506 CG1 VAL A 35 4.827 -1.416 -11.535 1.00 0.00 C ATOM 507 CG2 VAL A 35 4.888 -2.382 -9.232 1.00 0.00 C ATOM 0 H VAL A 35 7.287 -0.620 -8.643 1.00 0.00 H new ATOM 0 HA VAL A 35 7.120 -2.870 -10.602 1.00 0.00 H new ATOM 0 HB VAL A 35 5.518 -0.392 -9.771 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.787 -1.126 -11.387 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.305 -0.716 -12.220 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.867 -2.420 -11.957 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.848 -2.093 -9.083 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.929 -3.386 -9.654 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.409 -2.369 -8.275 1.00 0.00 H new ATOM 517 N MET A 36 8.557 -0.192 -11.361 1.00 0.00 N ATOM 518 CA MET A 36 9.178 0.560 -12.489 1.00 0.00 C ATOM 519 C MET A 36 10.684 0.713 -12.257 1.00 0.00 C ATOM 520 O MET A 36 11.492 0.208 -13.009 1.00 0.00 O ATOM 521 CB MET A 36 8.493 1.927 -12.477 1.00 0.00 C ATOM 522 CG MET A 36 7.619 2.071 -13.725 1.00 0.00 C ATOM 523 SD MET A 36 8.455 3.131 -14.930 1.00 0.00 S ATOM 524 CE MET A 36 7.905 2.260 -16.418 1.00 0.00 C ATOM 0 H MET A 36 8.923 0.032 -10.436 1.00 0.00 H new ATOM 0 HA MET A 36 9.054 0.049 -13.444 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.884 2.032 -11.579 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.240 2.720 -12.450 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.424 1.091 -14.160 1.00 0.00 H new ATOM 0 HG3 MET A 36 6.653 2.499 -13.458 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.312 2.754 -17.300 1.00 0.00 H new ATOM 0 HE2 MET A 36 8.255 1.228 -16.386 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.816 2.273 -16.465 1.00 0.00 H new ATOM 534 N ARG A 37 11.066 1.407 -11.220 1.00 0.00 N ATOM 535 CA ARG A 37 12.520 1.591 -10.941 1.00 0.00 C ATOM 536 C ARG A 37 13.265 0.265 -11.123 1.00 0.00 C ATOM 537 O ARG A 37 14.317 0.212 -11.729 1.00 0.00 O ATOM 538 CB ARG A 37 12.589 2.050 -9.485 1.00 0.00 C ATOM 539 CG ARG A 37 14.052 2.167 -9.054 1.00 0.00 C ATOM 540 CD ARG A 37 14.128 2.796 -7.661 1.00 0.00 C ATOM 541 NE ARG A 37 15.568 3.119 -7.462 1.00 0.00 N ATOM 542 CZ ARG A 37 16.119 2.945 -6.293 1.00 0.00 C ATOM 543 NH1 ARG A 37 15.386 2.981 -5.214 1.00 0.00 N ATOM 544 NH2 ARG A 37 17.404 2.735 -6.202 1.00 0.00 N ATOM 0 H ARG A 37 10.436 1.854 -10.554 1.00 0.00 H new ATOM 0 HA ARG A 37 12.983 2.310 -11.617 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.088 3.011 -9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.066 1.340 -8.844 1.00 0.00 H new ATOM 0 HG2 ARG A 37 14.519 1.182 -9.045 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.605 2.776 -9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.510 3.692 -7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.769 2.107 -6.897 1.00 0.00 H new ATOM 0 HE ARG A 37 16.123 3.476 -8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.382 3.145 -5.285 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.817 2.845 -4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.977 2.707 -7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.835 2.599 -5.288 1.00 0.00 H new ATOM 558 N SER A 38 12.728 -0.804 -10.603 1.00 0.00 N ATOM 559 CA SER A 38 13.406 -2.123 -10.746 1.00 0.00 C ATOM 560 C SER A 38 12.848 -2.877 -11.957 1.00 0.00 C ATOM 561 O SER A 38 13.517 -3.697 -12.552 1.00 0.00 O ATOM 562 CB SER A 38 13.088 -2.875 -9.454 1.00 0.00 C ATOM 563 OG SER A 38 14.045 -3.909 -9.265 1.00 0.00 O ATOM 0 H SER A 38 11.849 -0.821 -10.085 1.00 0.00 H new ATOM 0 HA SER A 38 14.480 -2.020 -10.904 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.104 -2.189 -8.607 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.084 -3.297 -9.503 1.00 0.00 H new ATOM 0 HG SER A 38 13.845 -4.392 -8.436 1.00 0.00 H new ATOM 569 N LEU A 39 11.626 -2.604 -12.325 1.00 0.00 N ATOM 570 CA LEU A 39 11.027 -3.305 -13.497 1.00 0.00 C ATOM 571 C LEU A 39 10.725 -2.303 -14.615 1.00 0.00 C ATOM 572 O LEU A 39 9.690 -2.360 -15.248 1.00 0.00 O ATOM 573 CB LEU A 39 9.734 -3.925 -12.968 1.00 0.00 C ATOM 574 CG LEU A 39 9.426 -5.205 -13.745 1.00 0.00 C ATOM 575 CD1 LEU A 39 8.604 -6.152 -12.867 1.00 0.00 C ATOM 576 CD2 LEU A 39 8.627 -4.859 -15.003 1.00 0.00 C ATOM 0 H LEU A 39 11.017 -1.927 -11.866 1.00 0.00 H new ATOM 0 HA LEU A 39 11.697 -4.055 -13.917 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.833 -4.147 -11.905 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.911 -3.218 -13.071 1.00 0.00 H new ATOM 0 HG LEU A 39 10.360 -5.690 -14.028 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.385 -7.064 -13.422 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.171 -6.400 -11.970 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.670 -5.667 -12.583 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.407 -5.772 -15.557 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.693 -4.373 -14.719 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.210 -4.185 -15.631 1.00 0.00 H new ATOM 588 N GLY A 40 11.622 -1.388 -14.863 1.00 0.00 N ATOM 589 CA GLY A 40 11.385 -0.386 -15.940 1.00 0.00 C ATOM 590 C GLY A 40 12.086 0.925 -15.583 1.00 0.00 C ATOM 591 O GLY A 40 11.593 1.710 -14.797 1.00 0.00 O ATOM 0 H GLY A 40 12.508 -1.291 -14.367 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.760 -0.764 -16.891 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.315 -0.216 -16.064 1.00 0.00 H new ATOM 595 N LEU A 41 13.233 1.170 -16.155 1.00 0.00 N ATOM 596 CA LEU A 41 13.965 2.433 -15.849 1.00 0.00 C ATOM 597 C LEU A 41 14.201 2.557 -14.341 1.00 0.00 C ATOM 598 O LEU A 41 13.555 1.904 -13.546 1.00 0.00 O ATOM 599 CB LEU A 41 13.049 3.552 -16.344 1.00 0.00 C ATOM 600 CG LEU A 41 13.500 4.887 -15.747 1.00 0.00 C ATOM 601 CD1 LEU A 41 14.857 5.276 -16.337 1.00 0.00 C ATOM 602 CD2 LEU A 41 12.471 5.969 -16.083 1.00 0.00 C ATOM 0 H LEU A 41 13.695 0.551 -16.821 1.00 0.00 H new ATOM 0 HA LEU A 41 14.944 2.468 -16.326 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.075 3.602 -17.433 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.018 3.344 -16.059 1.00 0.00 H new ATOM 0 HG LEU A 41 13.587 4.790 -14.665 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.179 6.227 -15.912 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.591 4.506 -16.100 1.00 0.00 H new ATOM 0 HD13 LEU A 41 14.769 5.373 -17.419 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.791 6.920 -15.658 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.385 6.066 -17.165 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.503 5.693 -15.665 1.00 0.00 H new ATOM 614 N SER A 42 15.121 3.392 -13.941 1.00 0.00 N ATOM 615 CA SER A 42 15.398 3.559 -12.486 1.00 0.00 C ATOM 616 C SER A 42 15.487 5.046 -12.134 1.00 0.00 C ATOM 617 O SER A 42 16.561 5.613 -12.094 1.00 0.00 O ATOM 618 CB SER A 42 16.744 2.873 -12.257 1.00 0.00 C ATOM 619 OG SER A 42 17.385 3.460 -11.131 1.00 0.00 O ATOM 0 H SER A 42 15.693 3.966 -14.560 1.00 0.00 H new ATOM 0 HA SER A 42 14.612 3.131 -11.864 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.598 1.806 -12.091 1.00 0.00 H new ATOM 0 HB3 SER A 42 17.372 2.975 -13.142 1.00 0.00 H new ATOM 0 HG SER A 42 17.666 4.372 -11.353 1.00 0.00 H new ATOM 625 N PRO A 43 14.345 5.630 -11.893 1.00 0.00 N ATOM 626 CA PRO A 43 14.283 7.068 -11.543 1.00 0.00 C ATOM 627 C PRO A 43 14.750 7.288 -10.101 1.00 0.00 C ATOM 628 O PRO A 43 15.439 6.466 -9.530 1.00 0.00 O ATOM 629 CB PRO A 43 12.804 7.409 -11.693 1.00 0.00 C ATOM 630 CG PRO A 43 12.080 6.113 -11.501 1.00 0.00 C ATOM 631 CD PRO A 43 13.016 5.009 -11.924 1.00 0.00 C ATOM 0 HA PRO A 43 14.924 7.689 -12.168 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.493 8.147 -10.953 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.596 7.835 -12.675 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.785 5.988 -10.459 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.167 6.091 -12.096 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.959 4.157 -11.246 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.772 4.640 -12.920 1.00 0.00 H new ATOM 639 N SER A 44 14.381 8.391 -9.507 1.00 0.00 N ATOM 640 CA SER A 44 14.806 8.658 -8.103 1.00 0.00 C ATOM 641 C SER A 44 13.622 9.161 -7.275 1.00 0.00 C ATOM 642 O SER A 44 12.591 9.520 -7.808 1.00 0.00 O ATOM 643 CB SER A 44 15.881 9.739 -8.215 1.00 0.00 C ATOM 644 OG SER A 44 16.563 9.596 -9.454 1.00 0.00 O ATOM 0 H SER A 44 13.805 9.117 -9.932 1.00 0.00 H new ATOM 0 HA SER A 44 15.178 7.761 -7.607 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.427 10.728 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.585 9.655 -7.387 1.00 0.00 H new ATOM 0 HG SER A 44 17.252 10.289 -9.530 1.00 0.00 H new ATOM 650 N GLU A 45 13.766 9.179 -5.973 1.00 0.00 N ATOM 651 CA GLU A 45 12.659 9.651 -5.086 1.00 0.00 C ATOM 652 C GLU A 45 11.885 10.797 -5.745 1.00 0.00 C ATOM 653 O GLU A 45 10.671 10.791 -5.787 1.00 0.00 O ATOM 654 CB GLU A 45 13.354 10.138 -3.814 1.00 0.00 C ATOM 655 CG GLU A 45 14.484 11.101 -4.183 1.00 0.00 C ATOM 656 CD GLU A 45 15.423 11.269 -2.987 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.505 10.349 -2.190 1.00 0.00 O ATOM 658 OE2 GLU A 45 16.042 12.316 -2.887 1.00 0.00 O ATOM 0 H GLU A 45 14.611 8.884 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 45 11.934 8.862 -4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.636 10.637 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.753 9.290 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.036 10.718 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.072 12.067 -4.474 1.00 0.00 H new ATOM 665 N ALA A 46 12.573 11.776 -6.263 1.00 0.00 N ATOM 666 CA ALA A 46 11.866 12.912 -6.921 1.00 0.00 C ATOM 667 C ALA A 46 10.739 12.379 -7.807 1.00 0.00 C ATOM 668 O ALA A 46 9.590 12.746 -7.658 1.00 0.00 O ATOM 669 CB ALA A 46 12.933 13.608 -7.766 1.00 0.00 C ATOM 0 H ALA A 46 13.591 11.840 -6.260 1.00 0.00 H new ATOM 0 HA ALA A 46 11.413 13.594 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.489 14.458 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.739 13.957 -7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.333 12.906 -8.498 1.00 0.00 H new ATOM 675 N GLU A 47 11.059 11.507 -8.725 1.00 0.00 N ATOM 676 CA GLU A 47 10.008 10.941 -9.618 1.00 0.00 C ATOM 677 C GLU A 47 9.203 9.877 -8.867 1.00 0.00 C ATOM 678 O GLU A 47 8.001 9.773 -9.014 1.00 0.00 O ATOM 679 CB GLU A 47 10.777 10.312 -10.779 1.00 0.00 C ATOM 680 CG GLU A 47 11.705 11.356 -11.402 1.00 0.00 C ATOM 681 CD GLU A 47 10.919 12.209 -12.398 1.00 0.00 C ATOM 682 OE1 GLU A 47 9.719 12.339 -12.219 1.00 0.00 O ATOM 683 OE2 GLU A 47 11.529 12.717 -13.325 1.00 0.00 O ATOM 0 H GLU A 47 12.004 11.162 -8.895 1.00 0.00 H new ATOM 0 HA GLU A 47 9.300 11.695 -9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.357 9.459 -10.425 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.081 9.935 -11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.133 11.988 -10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.537 10.864 -11.906 1.00 0.00 H new ATOM 690 N VAL A 48 9.859 9.089 -8.061 1.00 0.00 N ATOM 691 CA VAL A 48 9.137 8.035 -7.291 1.00 0.00 C ATOM 692 C VAL A 48 8.104 8.686 -6.373 1.00 0.00 C ATOM 693 O VAL A 48 6.910 8.549 -6.558 1.00 0.00 O ATOM 694 CB VAL A 48 10.219 7.342 -6.463 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.647 6.084 -5.813 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.389 6.957 -7.365 1.00 0.00 C ATOM 0 H VAL A 48 10.866 9.129 -7.901 1.00 0.00 H new ATOM 0 HA VAL A 48 8.606 7.335 -7.936 1.00 0.00 H new ATOM 0 HB VAL A 48 10.566 8.025 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.422 5.594 -5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.815 6.356 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.294 5.403 -6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.159 6.463 -6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.040 6.279 -8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.805 7.854 -7.824 1.00 0.00 H new ATOM 706 N ASN A 49 8.564 9.403 -5.388 1.00 0.00 N ATOM 707 CA ASN A 49 7.629 10.082 -4.454 1.00 0.00 C ATOM 708 C ASN A 49 6.611 10.905 -5.251 1.00 0.00 C ATOM 709 O ASN A 49 5.440 10.947 -4.927 1.00 0.00 O ATOM 710 CB ASN A 49 8.540 10.975 -3.603 1.00 0.00 C ATOM 711 CG ASN A 49 7.786 12.227 -3.141 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.486 13.096 -3.935 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.468 12.356 -1.882 1.00 0.00 N ATOM 0 H ASN A 49 9.554 9.548 -5.189 1.00 0.00 H new ATOM 0 HA ASN A 49 7.049 9.395 -3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.898 10.419 -2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.418 11.265 -4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.968 13.186 -1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.720 11.626 -1.215 1.00 0.00 H new ATOM 720 N ASP A 50 7.045 11.554 -6.298 1.00 0.00 N ATOM 721 CA ASP A 50 6.099 12.364 -7.115 1.00 0.00 C ATOM 722 C ASP A 50 4.968 11.474 -7.634 1.00 0.00 C ATOM 723 O ASP A 50 3.819 11.867 -7.668 1.00 0.00 O ATOM 724 CB ASP A 50 6.935 12.902 -8.277 1.00 0.00 C ATOM 725 CG ASP A 50 7.524 14.261 -7.895 1.00 0.00 C ATOM 726 OD1 ASP A 50 8.083 14.361 -6.816 1.00 0.00 O ATOM 727 OD2 ASP A 50 7.407 15.179 -8.690 1.00 0.00 O ATOM 0 H ASP A 50 8.012 11.558 -6.622 1.00 0.00 H new ATOM 0 HA ASP A 50 5.639 13.169 -6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.735 12.202 -8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.317 12.999 -9.169 1.00 0.00 H new ATOM 732 N LEU A 51 5.285 10.272 -8.033 1.00 0.00 N ATOM 733 CA LEU A 51 4.229 9.352 -8.543 1.00 0.00 C ATOM 734 C LEU A 51 3.206 9.071 -7.440 1.00 0.00 C ATOM 735 O LEU A 51 2.022 9.282 -7.610 1.00 0.00 O ATOM 736 CB LEU A 51 4.970 8.071 -8.929 1.00 0.00 C ATOM 737 CG LEU A 51 4.653 7.715 -10.382 1.00 0.00 C ATOM 738 CD1 LEU A 51 5.398 8.670 -11.316 1.00 0.00 C ATOM 739 CD2 LEU A 51 5.099 6.278 -10.662 1.00 0.00 C ATOM 0 H LEU A 51 6.230 9.888 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 51 3.683 9.773 -9.387 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.044 8.208 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.673 7.255 -8.271 1.00 0.00 H new ATOM 0 HG LEU A 51 3.580 7.804 -10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.172 8.416 -12.352 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.083 9.694 -11.116 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.471 8.581 -11.147 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.874 6.022 -11.697 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.172 6.190 -10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.569 5.596 -9.997 1.00 0.00 H new ATOM 751 N MET A 52 3.656 8.602 -6.308 1.00 0.00 N ATOM 752 CA MET A 52 2.706 8.314 -5.194 1.00 0.00 C ATOM 753 C MET A 52 1.808 9.530 -4.948 1.00 0.00 C ATOM 754 O MET A 52 0.602 9.414 -4.855 1.00 0.00 O ATOM 755 CB MET A 52 3.594 8.044 -3.976 1.00 0.00 C ATOM 756 CG MET A 52 2.765 8.169 -2.695 1.00 0.00 C ATOM 757 SD MET A 52 2.762 9.894 -2.147 1.00 0.00 S ATOM 758 CE MET A 52 4.555 10.092 -2.010 1.00 0.00 C ATOM 0 H MET A 52 4.636 8.406 -6.106 1.00 0.00 H new ATOM 0 HA MET A 52 2.051 7.471 -5.412 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.028 7.046 -4.044 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.423 8.751 -3.954 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.744 7.831 -2.875 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.180 7.529 -1.916 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.779 10.961 -1.391 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.986 9.201 -1.554 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.982 10.234 -3.003 1.00 0.00 H new ATOM 768 N ASN A 53 2.387 10.695 -4.847 1.00 0.00 N ATOM 769 CA ASN A 53 1.568 11.918 -4.611 1.00 0.00 C ATOM 770 C ASN A 53 0.659 12.183 -5.813 1.00 0.00 C ATOM 771 O ASN A 53 -0.531 12.388 -5.670 1.00 0.00 O ATOM 772 CB ASN A 53 2.583 13.049 -4.445 1.00 0.00 C ATOM 773 CG ASN A 53 1.894 14.268 -3.827 1.00 0.00 C ATOM 774 OD1 ASN A 53 0.698 14.261 -3.614 1.00 0.00 O ATOM 775 ND2 ASN A 53 2.604 15.321 -3.527 1.00 0.00 N ATOM 0 H ASN A 53 3.392 10.853 -4.918 1.00 0.00 H new ATOM 0 HA ASN A 53 0.921 11.821 -3.739 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.406 12.723 -3.810 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.012 13.312 -5.412 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.155 16.138 -3.114 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.608 15.327 -3.706 1.00 0.00 H new ATOM 782 N GLU A 54 1.208 12.180 -6.997 1.00 0.00 N ATOM 783 CA GLU A 54 0.374 12.429 -8.206 1.00 0.00 C ATOM 784 C GLU A 54 -0.945 11.660 -8.103 1.00 0.00 C ATOM 785 O GLU A 54 -2.002 12.174 -8.415 1.00 0.00 O ATOM 786 CB GLU A 54 1.208 11.911 -9.378 1.00 0.00 C ATOM 787 CG GLU A 54 2.131 13.022 -9.879 1.00 0.00 C ATOM 788 CD GLU A 54 1.450 13.777 -11.023 1.00 0.00 C ATOM 789 OE1 GLU A 54 0.232 13.826 -11.029 1.00 0.00 O ATOM 790 OE2 GLU A 54 2.158 14.293 -11.871 1.00 0.00 O ATOM 0 H GLU A 54 2.198 12.016 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 54 0.120 13.482 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.796 11.048 -9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.554 11.576 -10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.366 13.708 -9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.075 12.598 -10.221 1.00 0.00 H new ATOM 797 N ILE A 55 -0.892 10.432 -7.664 1.00 0.00 N ATOM 798 CA ILE A 55 -2.142 9.630 -7.537 1.00 0.00 C ATOM 799 C ILE A 55 -2.704 9.754 -6.118 1.00 0.00 C ATOM 800 O ILE A 55 -3.824 9.369 -5.848 1.00 0.00 O ATOM 801 CB ILE A 55 -1.721 8.189 -7.821 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.115 8.101 -9.223 1.00 0.00 C ATOM 803 CG2 ILE A 55 -2.944 7.275 -7.738 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.243 6.847 -9.324 1.00 0.00 C ATOM 0 H ILE A 55 -0.037 9.949 -7.388 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.921 9.968 -8.221 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.981 7.875 -7.084 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.907 8.068 -9.972 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.518 8.990 -9.429 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.644 6.247 -7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.377 7.337 -6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.684 7.589 -8.475 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.189 6.784 -10.323 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.557 6.900 -8.585 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.853 5.964 -9.136 1.00 0.00 H new ATOM 816 N ASP A 56 -1.933 10.287 -5.210 1.00 0.00 N ATOM 817 CA ASP A 56 -2.424 10.434 -3.810 1.00 0.00 C ATOM 818 C ASP A 56 -3.611 11.398 -3.764 1.00 0.00 C ATOM 819 O ASP A 56 -3.888 12.105 -4.712 1.00 0.00 O ATOM 820 CB ASP A 56 -1.238 11.007 -3.033 1.00 0.00 C ATOM 821 CG ASP A 56 -1.496 10.866 -1.531 1.00 0.00 C ATOM 822 OD1 ASP A 56 -2.425 10.161 -1.174 1.00 0.00 O ATOM 823 OD2 ASP A 56 -0.759 11.465 -0.765 1.00 0.00 O ATOM 0 H ASP A 56 -0.986 10.627 -5.376 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.767 9.488 -3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.323 10.482 -3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.093 12.056 -3.291 1.00 0.00 H new ATOM 828 N VAL A 57 -4.313 11.430 -2.666 1.00 0.00 N ATOM 829 CA VAL A 57 -5.483 12.348 -2.554 1.00 0.00 C ATOM 830 C VAL A 57 -5.431 13.106 -1.225 1.00 0.00 C ATOM 831 O VAL A 57 -5.817 14.255 -1.138 1.00 0.00 O ATOM 832 CB VAL A 57 -6.708 11.435 -2.607 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.841 10.841 -4.010 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.544 10.303 -1.591 1.00 0.00 C ATOM 0 H VAL A 57 -4.128 10.860 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.501 13.097 -3.346 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.601 12.013 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.714 10.190 -4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.956 11.646 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.947 10.264 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.417 9.651 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.650 9.726 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.447 10.724 -0.590 1.00 0.00 H new ATOM 844 N ASP A 58 -4.952 12.473 -0.189 1.00 0.00 N ATOM 845 CA ASP A 58 -4.872 13.157 1.133 1.00 0.00 C ATOM 846 C ASP A 58 -3.448 13.663 1.380 1.00 0.00 C ATOM 847 O ASP A 58 -3.198 14.421 2.295 1.00 0.00 O ATOM 848 CB ASP A 58 -5.246 12.085 2.157 1.00 0.00 C ATOM 849 CG ASP A 58 -4.321 10.877 1.994 1.00 0.00 C ATOM 850 OD1 ASP A 58 -4.150 10.433 0.870 1.00 0.00 O ATOM 851 OD2 ASP A 58 -3.797 10.419 2.996 1.00 0.00 O ATOM 0 H ASP A 58 -4.612 11.511 -0.201 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.531 14.023 1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.162 12.487 3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.284 11.782 2.020 1.00 0.00 H new ATOM 856 N GLY A 59 -2.512 13.248 0.569 1.00 0.00 N ATOM 857 CA GLY A 59 -1.106 13.707 0.758 1.00 0.00 C ATOM 858 C GLY A 59 -0.502 13.023 1.986 1.00 0.00 C ATOM 859 O GLY A 59 -0.331 13.629 3.025 1.00 0.00 O ATOM 0 H GLY A 59 -2.660 12.612 -0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.515 13.474 -0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.080 14.790 0.883 1.00 0.00 H new ATOM 863 N ASN A 60 -0.177 11.764 1.875 1.00 0.00 N ATOM 864 CA ASN A 60 0.418 11.042 3.037 1.00 0.00 C ATOM 865 C ASN A 60 1.628 10.222 2.583 1.00 0.00 C ATOM 866 O ASN A 60 1.994 9.244 3.205 1.00 0.00 O ATOM 867 CB ASN A 60 -0.695 10.123 3.542 1.00 0.00 C ATOM 868 CG ASN A 60 -1.350 9.413 2.356 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.932 10.049 1.499 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.279 8.113 2.268 1.00 0.00 N ATOM 0 H ASN A 60 -0.297 11.204 1.031 1.00 0.00 H new ATOM 0 HA ASN A 60 0.768 11.722 3.813 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.288 9.390 4.238 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.439 10.702 4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.712 7.631 1.480 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.791 7.579 2.987 1.00 0.00 H new ATOM 877 N HIS A 61 2.248 10.612 1.502 1.00 0.00 N ATOM 878 CA HIS A 61 3.437 9.861 0.997 1.00 0.00 C ATOM 879 C HIS A 61 3.016 8.486 0.470 1.00 0.00 C ATOM 880 O HIS A 61 3.839 7.685 0.073 1.00 0.00 O ATOM 881 CB HIS A 61 4.371 9.711 2.203 1.00 0.00 C ATOM 882 CG HIS A 61 4.412 10.999 2.979 1.00 0.00 C ATOM 883 ND1 HIS A 61 4.103 12.221 2.402 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.725 11.272 4.289 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.235 13.165 3.352 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.611 12.640 4.522 1.00 0.00 N ATOM 0 H HIS A 61 1.982 11.423 0.943 1.00 0.00 H new ATOM 0 HA HIS A 61 3.924 10.382 0.173 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.025 8.900 2.844 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.374 9.446 1.867 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.015 10.537 5.026 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.059 14.218 3.189 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.779 13.135 5.398 1.00 0.00 H new ATOM 894 N GLN A 62 1.740 8.207 0.456 1.00 0.00 N ATOM 895 CA GLN A 62 1.264 6.886 -0.050 1.00 0.00 C ATOM 896 C GLN A 62 -0.186 7.000 -0.523 1.00 0.00 C ATOM 897 O GLN A 62 -0.910 7.894 -0.128 1.00 0.00 O ATOM 898 CB GLN A 62 1.354 5.936 1.146 1.00 0.00 C ATOM 899 CG GLN A 62 2.768 5.969 1.732 1.00 0.00 C ATOM 900 CD GLN A 62 2.911 4.859 2.776 1.00 0.00 C ATOM 901 OE1 GLN A 62 3.130 5.130 3.940 1.00 0.00 O ATOM 902 NE2 GLN A 62 2.799 3.613 2.406 1.00 0.00 N ATOM 0 H GLN A 62 1.005 8.838 0.774 1.00 0.00 H new ATOM 0 HA GLN A 62 1.857 6.534 -0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.629 6.225 1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.103 4.922 0.836 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.505 5.836 0.940 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.962 6.940 2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.615 3.386 1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.895 2.866 3.094 1.00 0.00 H new ATOM 911 N ILE A 63 -0.619 6.103 -1.363 1.00 0.00 N ATOM 912 CA ILE A 63 -2.020 6.161 -1.858 1.00 0.00 C ATOM 913 C ILE A 63 -2.669 4.776 -1.763 1.00 0.00 C ATOM 914 O ILE A 63 -2.006 3.762 -1.846 1.00 0.00 O ATOM 915 CB ILE A 63 -1.904 6.604 -3.314 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.400 5.439 -4.168 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.924 7.774 -3.420 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.583 4.555 -4.565 1.00 0.00 C ATOM 0 H ILE A 63 -0.061 5.331 -1.728 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.640 6.842 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.884 6.919 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.898 5.817 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.666 4.856 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.843 8.088 -4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.285 8.607 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.056 7.462 -3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.228 3.724 -5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.065 4.168 -3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.301 5.143 -5.137 1.00 0.00 H new ATOM 930 N GLU A 64 -3.962 4.728 -1.598 1.00 0.00 N ATOM 931 CA GLU A 64 -4.653 3.410 -1.507 1.00 0.00 C ATOM 932 C GLU A 64 -5.161 2.992 -2.887 1.00 0.00 C ATOM 933 O GLU A 64 -4.889 3.641 -3.878 1.00 0.00 O ATOM 934 CB GLU A 64 -5.823 3.640 -0.549 1.00 0.00 C ATOM 935 CG GLU A 64 -5.299 3.740 0.885 1.00 0.00 C ATOM 936 CD GLU A 64 -6.430 4.189 1.812 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.481 3.571 1.774 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.225 5.143 2.544 1.00 0.00 O ATOM 0 H GLU A 64 -4.570 5.543 -1.522 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.993 2.617 -1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.352 4.554 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.539 2.822 -0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.910 2.775 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.472 4.449 0.933 1.00 0.00 H new ATOM 945 N PHE A 65 -5.896 1.918 -2.967 1.00 0.00 N ATOM 946 CA PHE A 65 -6.412 1.476 -4.293 1.00 0.00 C ATOM 947 C PHE A 65 -7.379 2.519 -4.860 1.00 0.00 C ATOM 948 O PHE A 65 -7.074 3.195 -5.820 1.00 0.00 O ATOM 949 CB PHE A 65 -7.144 0.163 -4.028 1.00 0.00 C ATOM 950 CG PHE A 65 -7.935 -0.202 -5.257 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.267 -0.547 -6.437 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.334 -0.178 -5.224 1.00 0.00 C ATOM 953 CE1 PHE A 65 -7.999 -0.870 -7.584 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.065 -0.502 -6.370 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.398 -0.847 -7.550 1.00 0.00 C ATOM 0 H PHE A 65 -6.161 1.330 -2.177 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.610 1.353 -5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.431 -0.626 -3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.806 0.266 -3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.187 -0.564 -6.462 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.848 0.091 -4.313 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.485 -1.137 -8.496 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.145 -0.486 -6.345 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.963 -1.096 -8.436 1.00 0.00 H new ATOM 965 N SER A 66 -8.542 2.643 -4.274 1.00 0.00 N ATOM 966 CA SER A 66 -9.545 3.636 -4.768 1.00 0.00 C ATOM 967 C SER A 66 -8.849 4.901 -5.283 1.00 0.00 C ATOM 968 O SER A 66 -9.245 5.476 -6.278 1.00 0.00 O ATOM 969 CB SER A 66 -10.410 3.960 -3.551 1.00 0.00 C ATOM 970 OG SER A 66 -11.399 4.914 -3.918 1.00 0.00 O ATOM 0 H SER A 66 -8.843 2.095 -3.468 1.00 0.00 H new ATOM 0 HA SER A 66 -10.132 3.244 -5.599 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.884 3.053 -3.176 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.791 4.353 -2.745 1.00 0.00 H new ATOM 0 HG SER A 66 -11.957 5.123 -3.140 1.00 0.00 H new ATOM 976 N GLU A 67 -7.806 5.332 -4.624 1.00 0.00 N ATOM 977 CA GLU A 67 -7.085 6.549 -5.096 1.00 0.00 C ATOM 978 C GLU A 67 -6.402 6.238 -6.428 1.00 0.00 C ATOM 979 O GLU A 67 -6.468 7.005 -7.372 1.00 0.00 O ATOM 980 CB GLU A 67 -6.053 6.851 -4.008 1.00 0.00 C ATOM 981 CG GLU A 67 -6.744 6.870 -2.643 1.00 0.00 C ATOM 982 CD GLU A 67 -5.803 7.482 -1.603 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.720 7.894 -1.983 1.00 0.00 O ATOM 984 OE2 GLU A 67 -6.183 7.527 -0.444 1.00 0.00 O ATOM 0 H GLU A 67 -7.424 4.897 -3.784 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.746 7.401 -5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.266 6.097 -4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.577 7.812 -4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.667 7.448 -2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.019 5.857 -2.349 1.00 0.00 H new ATOM 991 N PHE A 68 -5.767 5.102 -6.517 1.00 0.00 N ATOM 992 CA PHE A 68 -5.099 4.714 -7.789 1.00 0.00 C ATOM 993 C PHE A 68 -6.120 4.776 -8.928 1.00 0.00 C ATOM 994 O PHE A 68 -5.803 5.141 -10.042 1.00 0.00 O ATOM 995 CB PHE A 68 -4.615 3.278 -7.544 1.00 0.00 C ATOM 996 CG PHE A 68 -4.497 2.529 -8.851 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.789 3.086 -9.921 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.093 1.269 -8.988 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.678 2.385 -11.129 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.983 0.568 -10.194 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.275 1.127 -11.264 1.00 0.00 C ATOM 0 H PHE A 68 -5.682 4.424 -5.760 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.273 5.368 -8.068 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.649 3.295 -7.039 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.311 2.761 -6.883 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.328 4.057 -9.816 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.638 0.838 -8.162 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.132 2.815 -11.955 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.444 -0.403 -10.299 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.189 0.587 -12.195 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.348 4.432 -8.648 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.399 4.480 -9.703 1.00 0.00 C ATOM 1013 C LEU A 69 -8.698 5.936 -10.067 1.00 0.00 C ATOM 1014 O LEU A 69 -8.947 6.265 -11.209 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.628 3.827 -9.069 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.605 2.321 -9.335 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.888 2.059 -10.814 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.228 1.762 -8.973 1.00 0.00 C ATOM 0 H LEU A 69 -7.669 4.119 -7.732 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.095 3.971 -10.618 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.640 4.017 -7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.538 4.265 -9.480 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.368 1.833 -8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.871 0.986 -11.003 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.869 2.458 -11.073 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.126 2.546 -11.422 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.210 0.689 -9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.466 2.250 -9.580 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.026 1.948 -7.918 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.676 6.809 -9.096 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.959 8.245 -9.375 1.00 0.00 C ATOM 1032 C ALA A 70 -7.982 8.785 -10.422 1.00 0.00 C ATOM 1033 O ALA A 70 -8.378 9.396 -11.395 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.755 8.954 -8.035 1.00 0.00 C ATOM 0 H ALA A 70 -8.474 6.589 -8.121 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.963 8.399 -9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.945 10.021 -8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.445 8.543 -7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.730 8.804 -7.696 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.709 8.568 -10.231 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.714 9.075 -11.221 1.00 0.00 C ATOM 1042 C LEU A 71 -5.550 8.079 -12.373 1.00 0.00 C ATOM 1043 O LEU A 71 -5.162 8.440 -13.466 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.408 9.212 -10.440 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.695 10.498 -10.863 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -4.068 11.629 -9.903 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.181 10.278 -10.826 1.00 0.00 C ATOM 0 H LEU A 71 -6.315 8.064 -9.436 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.024 10.021 -11.665 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.612 9.232 -9.369 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.768 8.350 -10.627 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.000 10.765 -11.875 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.560 12.545 -10.205 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.146 11.787 -9.928 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.764 11.362 -8.891 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.673 11.194 -11.127 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.877 10.010 -9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.914 9.473 -11.510 1.00 0.00 H new ATOM 1059 N MET A 72 -5.843 6.828 -12.139 1.00 0.00 N ATOM 1060 CA MET A 72 -5.702 5.817 -13.227 1.00 0.00 C ATOM 1061 C MET A 72 -6.871 5.929 -14.208 1.00 0.00 C ATOM 1062 O MET A 72 -6.726 6.429 -15.306 1.00 0.00 O ATOM 1063 CB MET A 72 -5.726 4.463 -12.517 1.00 0.00 C ATOM 1064 CG MET A 72 -5.571 3.344 -13.547 1.00 0.00 C ATOM 1065 SD MET A 72 -4.025 3.573 -14.460 1.00 0.00 S ATOM 1066 CE MET A 72 -3.541 1.832 -14.530 1.00 0.00 C ATOM 0 H MET A 72 -6.173 6.463 -11.245 1.00 0.00 H new ATOM 0 HA MET A 72 -4.788 5.958 -13.804 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.921 4.411 -11.784 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.662 4.343 -11.972 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.571 2.374 -13.049 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.416 3.349 -14.235 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.563 1.707 -14.066 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.275 1.229 -13.996 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.493 1.509 -15.570 1.00 0.00 H new ATOM 1076 N SER A 73 -8.028 5.467 -13.822 1.00 0.00 N ATOM 1077 CA SER A 73 -9.205 5.546 -14.735 1.00 0.00 C ATOM 1078 C SER A 73 -9.308 6.946 -15.345 1.00 0.00 C ATOM 1079 O SER A 73 -9.540 7.920 -14.654 1.00 0.00 O ATOM 1080 CB SER A 73 -10.414 5.258 -13.846 1.00 0.00 C ATOM 1081 OG SER A 73 -11.480 6.127 -14.208 1.00 0.00 O ATOM 0 H SER A 73 -8.210 5.038 -12.915 1.00 0.00 H new ATOM 0 HA SER A 73 -9.133 4.843 -15.565 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.723 4.219 -13.958 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.152 5.402 -12.798 1.00 0.00 H new ATOM 0 HG SER A 73 -12.258 5.944 -13.641 1.00 0.00 H new ATOM 1087 N ARG A 74 -9.137 7.056 -16.633 1.00 0.00 N ATOM 1088 CA ARG A 74 -9.225 8.394 -17.286 1.00 0.00 C ATOM 1089 C ARG A 74 -8.256 9.374 -16.620 1.00 0.00 C ATOM 1090 O ARG A 74 -8.575 10.002 -15.630 1.00 0.00 O ATOM 1091 CB ARG A 74 -10.671 8.844 -17.073 1.00 0.00 C ATOM 1092 CG ARG A 74 -11.239 9.381 -18.390 1.00 0.00 C ATOM 1093 CD ARG A 74 -11.806 10.784 -18.166 1.00 0.00 C ATOM 1094 NE ARG A 74 -13.261 10.660 -18.456 1.00 0.00 N ATOM 1095 CZ ARG A 74 -13.760 11.203 -19.533 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -13.096 11.157 -20.655 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -14.925 11.792 -19.488 1.00 0.00 N ATOM 0 H ARG A 74 -8.940 6.278 -17.262 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.960 8.355 -18.343 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.274 8.008 -16.718 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.713 9.616 -16.305 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.458 9.410 -19.150 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.020 8.716 -18.760 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.634 11.121 -17.144 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.332 11.511 -18.825 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.868 10.151 -17.813 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.187 10.697 -20.691 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.486 11.581 -21.496 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.445 11.828 -18.611 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.315 12.216 -20.330 1.00 0.00 H new ATOM 1111 N GLN A 75 -7.073 9.507 -17.154 1.00 0.00 N ATOM 1112 CA GLN A 75 -6.084 10.447 -16.550 1.00 0.00 C ATOM 1113 C GLN A 75 -6.033 11.749 -17.353 1.00 0.00 C ATOM 1114 O GLN A 75 -6.925 12.052 -18.121 1.00 0.00 O ATOM 1115 CB GLN A 75 -4.744 9.715 -16.630 1.00 0.00 C ATOM 1116 CG GLN A 75 -3.901 10.057 -15.399 1.00 0.00 C ATOM 1117 CD GLN A 75 -2.957 8.895 -15.087 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -3.388 7.767 -14.946 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -1.677 9.123 -14.972 1.00 0.00 N ATOM 0 H GLN A 75 -6.748 9.007 -17.981 1.00 0.00 H new ATOM 0 HA GLN A 75 -6.342 10.716 -15.526 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -4.908 8.639 -16.684 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.214 10.003 -17.538 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.328 10.967 -15.579 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.549 10.252 -14.544 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.315 10.069 -15.090 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.039 8.355 -14.764 1.00 0.00 H new ATOM 1128 N LEU A 76 -4.995 12.523 -17.182 1.00 0.00 N ATOM 1129 CA LEU A 76 -4.890 13.804 -17.936 1.00 0.00 C ATOM 1130 C LEU A 76 -6.238 14.529 -17.941 1.00 0.00 C ATOM 1131 O LEU A 76 -7.087 14.285 -17.108 1.00 0.00 O ATOM 1132 CB LEU A 76 -4.495 13.396 -19.356 1.00 0.00 C ATOM 1133 CG LEU A 76 -3.031 13.763 -19.605 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -2.889 15.285 -19.666 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -2.169 13.217 -18.465 1.00 0.00 C ATOM 0 H LEU A 76 -4.217 12.323 -16.554 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.166 14.486 -17.491 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.640 12.324 -19.491 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.135 13.898 -20.081 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.704 13.330 -20.550 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.846 15.546 -19.843 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.504 15.676 -20.477 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.216 15.719 -18.721 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.125 13.478 -18.641 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.497 13.651 -17.521 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.269 12.133 -18.420 1.00 0.00 H new ATOM 1147 N LYS A 77 -6.441 15.419 -18.874 1.00 0.00 N ATOM 1148 CA LYS A 77 -7.735 16.158 -18.930 1.00 0.00 C ATOM 1149 C LYS A 77 -8.530 15.739 -20.170 1.00 0.00 C ATOM 1150 O LYS A 77 -8.917 16.616 -20.925 1.00 0.00 O ATOM 1151 CB LYS A 77 -7.344 17.634 -19.017 1.00 0.00 C ATOM 1152 CG LYS A 77 -6.796 18.098 -17.666 1.00 0.00 C ATOM 1153 CD LYS A 77 -6.103 19.451 -17.834 1.00 0.00 C ATOM 1154 CE LYS A 77 -4.801 19.265 -18.617 1.00 0.00 C ATOM 1155 NZ LYS A 77 -3.822 20.171 -17.956 1.00 0.00 N ATOM 1156 OXT LYS A 77 -8.737 14.550 -20.343 1.00 0.00 O ATOM 0 H LYS A 77 -5.768 15.666 -19.599 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.366 15.954 -18.065 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.593 17.777 -19.794 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.210 18.235 -19.296 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.606 18.180 -16.942 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.092 17.363 -17.275 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.759 20.145 -18.359 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.893 19.888 -16.858 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.465 18.229 -18.584 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.932 19.524 -19.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.903 20.099 -18.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.165 21.151 -18.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.713 19.896 -16.959 1.00 0.00 H new TER 1170 LYS A 77 HETATM 1171 CA CA A 101 2.139 -1.460 1.446 1.00 0.00 CA HETATM 1172 CA CA A 102 -3.556 8.090 0.335 1.00 0.00 CA