USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=15 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 Set 1.1: A 49 ASN : amide:sc= 0 X(o=-2.2,f=-2.6) USER MOD Set 1.2: A 52 MET CE :methyl -154:sc= -2.24! (180deg=-3.09) USER MOD Set 2.1: A 8 GLN : amide:sc= -0.426 K(o=1.5,f=0.07!) USER MOD Set 2.2: A 73 SER OG : rot 85:sc= 1.91 USER MOD Single : A 1 SER N :NH3+ 140:sc= 0.554 (180deg=0.0906) USER MOD Single : A 1 SER OG : rot 180:sc= 0.224 USER MOD Single : A 2 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -27:sc= -0.525! 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= -2.36! K(o=-2.4!,f=-1.5) USER MOD Single : A 24 ASN : amide:sc= -10.7! C(o=-11!,f=-11!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.389 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 100:sc= -0.435 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.137 USER MOD Single : A 53 ASN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 60 ASN : amide:sc= -8.07! C(o=-8.1!,f=-9.8!) USER MOD Single : A 61 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-3.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0525 K(o=-0.053,f=-1.2) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -22.060 -1.092 -19.373 1.00 0.00 N ATOM 2 CA SER A 1 -20.844 -1.568 -18.652 1.00 0.00 C ATOM 3 C SER A 1 -20.038 -2.517 -19.543 1.00 0.00 C ATOM 4 O SER A 1 -19.764 -3.643 -19.177 1.00 0.00 O ATOM 5 CB SER A 1 -21.374 -2.304 -17.424 1.00 0.00 C ATOM 6 OG SER A 1 -22.572 -1.679 -16.981 1.00 0.00 O ATOM 0 H1 SER A 1 -22.865 -1.063 -18.715 1.00 0.00 H new ATOM 0 H2 SER A 1 -21.888 -0.139 -19.752 1.00 0.00 H new ATOM 0 H3 SER A 1 -22.276 -1.742 -20.156 1.00 0.00 H new ATOM 0 HA SER A 1 -20.179 -0.749 -18.379 1.00 0.00 H new ATOM 0 HB2 SER A 1 -21.564 -3.350 -17.667 1.00 0.00 H new ATOM 0 HB3 SER A 1 -20.629 -2.292 -16.629 1.00 0.00 H new ATOM 0 HG SER A 1 -22.915 -2.151 -16.194 1.00 0.00 H new ATOM 14 N SER A 2 -19.659 -2.072 -20.710 1.00 0.00 N ATOM 15 CA SER A 2 -18.872 -2.950 -21.623 1.00 0.00 C ATOM 16 C SER A 2 -17.531 -3.315 -20.981 1.00 0.00 C ATOM 17 O SER A 2 -17.291 -4.453 -20.627 1.00 0.00 O ATOM 18 CB SER A 2 -18.653 -2.115 -22.883 1.00 0.00 C ATOM 19 OG SER A 2 -19.910 -1.673 -23.378 1.00 0.00 O ATOM 0 H SER A 2 -19.860 -1.139 -21.071 1.00 0.00 H new ATOM 0 HA SER A 2 -19.385 -3.887 -21.839 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.016 -1.259 -22.660 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.139 -2.707 -23.640 1.00 0.00 H new ATOM 0 HG SER A 2 -19.773 -1.135 -24.186 1.00 0.00 H new ATOM 25 N ASN A 3 -16.657 -2.360 -20.827 1.00 0.00 N ATOM 26 CA ASN A 3 -15.332 -2.653 -20.207 1.00 0.00 C ATOM 27 C ASN A 3 -14.921 -1.513 -19.271 1.00 0.00 C ATOM 28 O ASN A 3 -13.816 -1.015 -19.333 1.00 0.00 O ATOM 29 CB ASN A 3 -14.360 -2.758 -21.383 1.00 0.00 C ATOM 30 CG ASN A 3 -14.144 -4.230 -21.738 1.00 0.00 C ATOM 31 OD1 ASN A 3 -13.275 -4.878 -21.188 1.00 0.00 O ATOM 32 ND2 ASN A 3 -14.902 -4.789 -22.640 1.00 0.00 N ATOM 0 H ASN A 3 -16.802 -1.389 -21.103 1.00 0.00 H new ATOM 0 HA ASN A 3 -15.349 -3.564 -19.608 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -14.755 -2.220 -22.244 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -13.409 -2.292 -21.125 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.766 -5.770 -22.884 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -15.631 -4.245 -23.102 1.00 0.00 H new ATOM 39 N LEU A 4 -15.805 -1.097 -18.404 1.00 0.00 N ATOM 40 CA LEU A 4 -15.466 0.009 -17.467 1.00 0.00 C ATOM 41 C LEU A 4 -16.008 -0.305 -16.073 1.00 0.00 C ATOM 42 O LEU A 4 -16.353 -1.429 -15.770 1.00 0.00 O ATOM 43 CB LEU A 4 -16.160 1.243 -18.044 1.00 0.00 C ATOM 44 CG LEU A 4 -17.588 0.883 -18.456 1.00 0.00 C ATOM 45 CD1 LEU A 4 -18.525 2.045 -18.122 1.00 0.00 C ATOM 46 CD2 LEU A 4 -17.632 0.611 -19.961 1.00 0.00 C ATOM 0 H LEU A 4 -16.747 -1.476 -18.305 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.390 0.156 -17.369 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.175 2.043 -17.304 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.605 1.615 -18.905 1.00 0.00 H new ATOM 0 HG LEU A 4 -17.907 -0.008 -17.915 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -19.543 1.788 -18.416 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -18.495 2.240 -17.050 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -18.206 2.937 -18.662 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -18.650 0.354 -20.255 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.312 1.502 -20.501 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.965 -0.217 -20.201 1.00 0.00 H new ATOM 58 N THR A 5 -16.094 0.680 -15.225 1.00 0.00 N ATOM 59 CA THR A 5 -16.629 0.434 -13.855 1.00 0.00 C ATOM 60 C THR A 5 -16.023 -0.846 -13.270 1.00 0.00 C ATOM 61 O THR A 5 -14.844 -1.104 -13.412 1.00 0.00 O ATOM 62 CB THR A 5 -18.140 0.276 -14.050 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.417 -1.029 -14.541 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.644 1.318 -15.053 1.00 0.00 C ATOM 0 H THR A 5 -15.818 1.643 -15.419 1.00 0.00 H new ATOM 0 HA THR A 5 -16.387 1.240 -13.163 1.00 0.00 H new ATOM 0 HB THR A 5 -18.646 0.423 -13.096 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.640 -1.364 -15.035 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.719 1.202 -15.189 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.432 2.318 -14.676 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.140 1.176 -16.009 1.00 0.00 H new ATOM 72 N GLU A 6 -16.820 -1.649 -12.614 1.00 0.00 N ATOM 73 CA GLU A 6 -16.293 -2.913 -12.021 1.00 0.00 C ATOM 74 C GLU A 6 -15.305 -3.576 -12.983 1.00 0.00 C ATOM 75 O GLU A 6 -14.381 -4.251 -12.574 1.00 0.00 O ATOM 76 CB GLU A 6 -17.527 -3.794 -11.820 1.00 0.00 C ATOM 77 CG GLU A 6 -17.978 -4.368 -13.166 1.00 0.00 C ATOM 78 CD GLU A 6 -17.186 -5.642 -13.470 1.00 0.00 C ATOM 79 OE1 GLU A 6 -16.591 -6.179 -12.550 1.00 0.00 O ATOM 80 OE2 GLU A 6 -17.190 -6.058 -14.616 1.00 0.00 O ATOM 0 H GLU A 6 -17.815 -1.483 -12.463 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.756 -2.744 -11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.298 -4.604 -11.127 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.333 -3.211 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.045 -4.588 -13.140 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.823 -3.634 -13.957 1.00 0.00 H new ATOM 87 N GLU A 7 -15.490 -3.377 -14.257 1.00 0.00 N ATOM 88 CA GLU A 7 -14.558 -3.983 -15.247 1.00 0.00 C ATOM 89 C GLU A 7 -13.213 -3.263 -15.178 1.00 0.00 C ATOM 90 O GLU A 7 -12.167 -3.880 -15.106 1.00 0.00 O ATOM 91 CB GLU A 7 -15.220 -3.762 -16.608 1.00 0.00 C ATOM 92 CG GLU A 7 -14.700 -4.803 -17.602 1.00 0.00 C ATOM 93 CD GLU A 7 -15.876 -5.599 -18.170 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.919 -5.004 -18.388 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.715 -6.790 -18.376 1.00 0.00 O ATOM 0 H GLU A 7 -16.246 -2.821 -14.656 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.374 -5.041 -15.061 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.303 -3.841 -16.515 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.004 -2.757 -16.971 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.157 -4.311 -18.409 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.998 -5.474 -17.108 1.00 0.00 H new ATOM 102 N GLN A 8 -13.232 -1.958 -15.179 1.00 0.00 N ATOM 103 CA GLN A 8 -11.951 -1.203 -15.093 1.00 0.00 C ATOM 104 C GLN A 8 -11.373 -1.366 -13.687 1.00 0.00 C ATOM 105 O GLN A 8 -10.204 -1.638 -13.510 1.00 0.00 O ATOM 106 CB GLN A 8 -12.315 0.259 -15.394 1.00 0.00 C ATOM 107 CG GLN A 8 -12.713 0.994 -14.107 1.00 0.00 C ATOM 108 CD GLN A 8 -12.927 2.477 -14.412 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.882 2.888 -15.555 1.00 0.00 O ATOM 110 NE2 GLN A 8 -13.159 3.306 -13.431 1.00 0.00 N ATOM 0 H GLN A 8 -14.074 -1.385 -15.235 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.195 -1.558 -15.793 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.467 0.762 -15.859 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.137 0.295 -16.108 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.625 0.561 -13.696 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.935 0.875 -13.353 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.197 2.963 -12.471 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.302 4.297 -13.624 1.00 0.00 H new ATOM 119 N ILE A 9 -12.197 -1.214 -12.686 1.00 0.00 N ATOM 120 CA ILE A 9 -11.713 -1.373 -11.289 1.00 0.00 C ATOM 121 C ILE A 9 -11.017 -2.722 -11.136 1.00 0.00 C ATOM 122 O ILE A 9 -9.837 -2.794 -10.866 1.00 0.00 O ATOM 123 CB ILE A 9 -12.973 -1.329 -10.428 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.635 0.043 -10.560 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.598 -1.581 -8.969 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.143 -0.097 -10.347 1.00 0.00 C ATOM 0 H ILE A 9 -13.187 -0.986 -12.778 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.997 -0.602 -11.005 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.670 -2.098 -10.761 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.216 0.733 -9.828 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.433 0.463 -11.545 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.496 -1.550 -8.352 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.129 -2.561 -8.878 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.901 -0.812 -8.634 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.616 0.881 -10.441 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.555 -0.773 -11.096 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.334 -0.498 -9.352 1.00 0.00 H new ATOM 138 N ALA A 10 -11.739 -3.796 -11.311 1.00 0.00 N ATOM 139 CA ALA A 10 -11.112 -5.141 -11.178 1.00 0.00 C ATOM 140 C ALA A 10 -9.751 -5.153 -11.879 1.00 0.00 C ATOM 141 O ALA A 10 -8.754 -5.568 -11.320 1.00 0.00 O ATOM 142 CB ALA A 10 -12.080 -6.102 -11.870 1.00 0.00 C ATOM 0 H ALA A 10 -12.733 -3.800 -11.540 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.941 -5.418 -10.138 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.687 -7.117 -11.814 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.050 -6.061 -11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.194 -5.814 -12.915 1.00 0.00 H new ATOM 148 N GLU A 11 -9.704 -4.688 -13.098 1.00 0.00 N ATOM 149 CA GLU A 11 -8.406 -4.662 -13.833 1.00 0.00 C ATOM 150 C GLU A 11 -7.411 -3.768 -13.092 1.00 0.00 C ATOM 151 O GLU A 11 -6.248 -4.094 -12.951 1.00 0.00 O ATOM 152 CB GLU A 11 -8.739 -4.077 -15.206 1.00 0.00 C ATOM 153 CG GLU A 11 -8.491 -5.132 -16.285 1.00 0.00 C ATOM 154 CD GLU A 11 -8.857 -4.558 -17.655 1.00 0.00 C ATOM 155 OE1 GLU A 11 -9.368 -3.451 -17.694 1.00 0.00 O ATOM 156 OE2 GLU A 11 -8.618 -5.235 -18.642 1.00 0.00 O ATOM 0 H GLU A 11 -10.505 -4.326 -13.616 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.952 -5.649 -13.915 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.779 -3.753 -15.232 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.126 -3.196 -15.396 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.445 -5.438 -16.275 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.086 -6.022 -16.081 1.00 0.00 H new ATOM 163 N PHE A 12 -7.863 -2.643 -12.611 1.00 0.00 N ATOM 164 CA PHE A 12 -6.952 -1.728 -11.872 1.00 0.00 C ATOM 165 C PHE A 12 -6.455 -2.414 -10.598 1.00 0.00 C ATOM 166 O PHE A 12 -5.272 -2.447 -10.321 1.00 0.00 O ATOM 167 CB PHE A 12 -7.809 -0.506 -11.536 1.00 0.00 C ATOM 168 CG PHE A 12 -8.061 0.288 -12.797 1.00 0.00 C ATOM 169 CD1 PHE A 12 -7.001 0.565 -13.669 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.350 0.747 -13.096 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.229 1.300 -14.837 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.577 1.484 -14.265 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.517 1.760 -15.135 1.00 0.00 C ATOM 0 H PHE A 12 -8.826 -2.318 -12.699 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.070 -1.453 -12.450 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.755 -0.821 -11.095 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.304 0.115 -10.796 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.007 0.211 -13.440 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.169 0.533 -12.425 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.411 1.513 -15.509 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.571 1.839 -14.495 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.692 2.328 -16.037 1.00 0.00 H new ATOM 183 N LYS A 13 -7.348 -2.975 -9.829 1.00 0.00 N ATOM 184 CA LYS A 13 -6.926 -3.673 -8.583 1.00 0.00 C ATOM 185 C LYS A 13 -5.693 -4.524 -8.875 1.00 0.00 C ATOM 186 O LYS A 13 -4.674 -4.404 -8.223 1.00 0.00 O ATOM 187 CB LYS A 13 -8.114 -4.557 -8.198 1.00 0.00 C ATOM 188 CG LYS A 13 -9.121 -3.737 -7.390 1.00 0.00 C ATOM 189 CD LYS A 13 -9.965 -4.676 -6.524 1.00 0.00 C ATOM 190 CE LYS A 13 -11.003 -3.860 -5.750 1.00 0.00 C ATOM 191 NZ LYS A 13 -11.889 -4.873 -5.111 1.00 0.00 N ATOM 0 H LYS A 13 -8.352 -2.980 -10.010 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.665 -2.984 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.590 -4.956 -9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.771 -5.410 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.598 -3.016 -6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.764 -3.167 -8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.462 -5.417 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.325 -5.222 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.528 -3.223 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.567 -3.206 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.628 -4.390 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.332 -5.460 -5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.326 -5.477 -4.479 1.00 0.00 H new ATOM 205 N GLU A 14 -5.771 -5.375 -9.863 1.00 0.00 N ATOM 206 CA GLU A 14 -4.591 -6.216 -10.203 1.00 0.00 C ATOM 207 C GLU A 14 -3.374 -5.315 -10.412 1.00 0.00 C ATOM 208 O GLU A 14 -2.297 -5.579 -9.913 1.00 0.00 O ATOM 209 CB GLU A 14 -4.968 -6.927 -11.504 1.00 0.00 C ATOM 210 CG GLU A 14 -4.091 -8.167 -11.681 1.00 0.00 C ATOM 211 CD GLU A 14 -4.509 -9.238 -10.671 1.00 0.00 C ATOM 212 OE1 GLU A 14 -5.690 -9.314 -10.374 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.641 -9.962 -10.212 1.00 0.00 O ATOM 0 H GLU A 14 -6.596 -5.522 -10.445 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.340 -6.929 -9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.020 -7.213 -11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.838 -6.253 -12.350 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.188 -8.552 -12.696 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.042 -7.907 -11.538 1.00 0.00 H new ATOM 220 N ALA A 15 -3.542 -4.243 -11.138 1.00 0.00 N ATOM 221 CA ALA A 15 -2.400 -3.314 -11.370 1.00 0.00 C ATOM 222 C ALA A 15 -1.986 -2.665 -10.048 1.00 0.00 C ATOM 223 O ALA A 15 -0.821 -2.619 -9.708 1.00 0.00 O ATOM 224 CB ALA A 15 -2.932 -2.260 -12.341 1.00 0.00 C ATOM 0 H ALA A 15 -4.420 -3.971 -11.580 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.523 -3.824 -11.770 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.146 -1.538 -12.561 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.249 -2.744 -13.265 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.781 -1.746 -11.891 1.00 0.00 H new ATOM 230 N PHE A 16 -2.932 -2.170 -9.296 1.00 0.00 N ATOM 231 CA PHE A 16 -2.585 -1.533 -7.994 1.00 0.00 C ATOM 232 C PHE A 16 -1.611 -2.428 -7.228 1.00 0.00 C ATOM 233 O PHE A 16 -0.472 -2.071 -6.999 1.00 0.00 O ATOM 234 CB PHE A 16 -3.907 -1.414 -7.235 1.00 0.00 C ATOM 235 CG PHE A 16 -3.623 -1.028 -5.803 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.319 0.300 -5.483 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.658 -2.000 -4.795 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.052 0.658 -4.156 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.390 -1.642 -3.468 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.087 -0.313 -3.149 1.00 0.00 C ATOM 0 H PHE A 16 -3.926 -2.179 -9.526 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.107 -0.562 -8.123 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.545 -0.666 -7.706 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.446 -2.361 -7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.290 1.049 -6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.892 -3.025 -5.041 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.819 1.683 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.417 -2.391 -2.691 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.880 -0.037 -2.126 1.00 0.00 H new ATOM 250 N ALA A 17 -2.048 -3.594 -6.837 1.00 0.00 N ATOM 251 CA ALA A 17 -1.142 -4.513 -6.093 1.00 0.00 C ATOM 252 C ALA A 17 0.230 -4.537 -6.770 1.00 0.00 C ATOM 253 O ALA A 17 1.253 -4.415 -6.125 1.00 0.00 O ATOM 254 CB ALA A 17 -1.809 -5.887 -6.179 1.00 0.00 C ATOM 0 H ALA A 17 -2.990 -3.949 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.989 -4.205 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.199 -6.621 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.797 -5.841 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.906 -6.179 -7.225 1.00 0.00 H new ATOM 260 N LEU A 18 0.259 -4.685 -8.067 1.00 0.00 N ATOM 261 CA LEU A 18 1.566 -4.706 -8.781 1.00 0.00 C ATOM 262 C LEU A 18 2.455 -3.574 -8.262 1.00 0.00 C ATOM 263 O LEU A 18 3.639 -3.748 -8.049 1.00 0.00 O ATOM 264 CB LEU A 18 1.218 -4.485 -10.254 1.00 0.00 C ATOM 265 CG LEU A 18 2.369 -4.981 -11.131 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.870 -6.106 -12.041 1.00 0.00 C ATOM 267 CD2 LEU A 18 2.889 -3.826 -11.989 1.00 0.00 C ATOM 0 H LEU A 18 -0.564 -4.792 -8.661 1.00 0.00 H new ATOM 0 HA LEU A 18 2.110 -5.639 -8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.300 -5.017 -10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.035 -3.427 -10.440 1.00 0.00 H new ATOM 0 HG LEU A 18 3.173 -5.356 -10.497 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.690 -6.459 -12.666 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.498 -6.929 -11.431 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.066 -5.732 -12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.709 -4.178 -12.614 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.084 -3.452 -12.622 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.244 -3.024 -11.342 1.00 0.00 H new ATOM 279 N PHE A 19 1.890 -2.417 -8.050 1.00 0.00 N ATOM 280 CA PHE A 19 2.697 -1.275 -7.536 1.00 0.00 C ATOM 281 C PHE A 19 3.068 -1.518 -6.071 1.00 0.00 C ATOM 282 O PHE A 19 4.221 -1.451 -5.693 1.00 0.00 O ATOM 283 CB PHE A 19 1.784 -0.052 -7.661 1.00 0.00 C ATOM 284 CG PHE A 19 1.378 0.148 -9.104 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.132 -0.425 -10.137 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.246 0.913 -9.409 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.752 -0.234 -11.471 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.134 1.104 -10.742 1.00 0.00 C ATOM 289 CZ PHE A 19 0.620 0.530 -11.774 1.00 0.00 C ATOM 0 H PHE A 19 0.904 -2.213 -8.211 1.00 0.00 H new ATOM 0 HA PHE A 19 3.628 -1.143 -8.087 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.898 -0.185 -7.041 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.299 0.835 -7.294 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.007 -1.014 -9.904 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.335 1.357 -8.614 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.333 -0.677 -12.266 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.008 1.694 -10.975 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.327 0.677 -12.803 1.00 0.00 H new ATOM 299 N ASP A 20 2.099 -1.806 -5.246 1.00 0.00 N ATOM 300 CA ASP A 20 2.394 -2.059 -3.807 1.00 0.00 C ATOM 301 C ASP A 20 3.240 -3.326 -3.661 1.00 0.00 C ATOM 302 O ASP A 20 3.013 -4.316 -4.329 1.00 0.00 O ATOM 303 CB ASP A 20 1.026 -2.248 -3.149 1.00 0.00 C ATOM 304 CG ASP A 20 1.213 -2.701 -1.701 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.327 -2.615 -1.212 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.238 -3.126 -1.103 1.00 0.00 O ATOM 0 H ASP A 20 1.115 -1.877 -5.506 1.00 0.00 H new ATOM 0 HA ASP A 20 2.956 -1.245 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.464 -1.314 -3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.445 -2.987 -3.700 1.00 0.00 H new ATOM 311 N LYS A 21 4.217 -3.306 -2.795 1.00 0.00 N ATOM 312 CA LYS A 21 5.076 -4.511 -2.613 1.00 0.00 C ATOM 313 C LYS A 21 4.696 -5.245 -1.323 1.00 0.00 C ATOM 314 O LYS A 21 5.369 -6.163 -0.899 1.00 0.00 O ATOM 315 CB LYS A 21 6.502 -3.969 -2.520 1.00 0.00 C ATOM 316 CG LYS A 21 6.947 -3.466 -3.895 1.00 0.00 C ATOM 317 CD LYS A 21 7.797 -4.538 -4.581 1.00 0.00 C ATOM 318 CE LYS A 21 7.298 -4.747 -6.012 1.00 0.00 C ATOM 319 NZ LYS A 21 8.128 -5.860 -6.549 1.00 0.00 N ATOM 0 H LYS A 21 4.457 -2.508 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 21 4.962 -5.225 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.548 -3.159 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.177 -4.750 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.076 -3.231 -4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.520 -2.545 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.844 -4.236 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.740 -5.473 -4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.238 -5.002 -6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.417 -3.842 -6.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.845 -6.063 -7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.131 -5.586 -6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.989 -6.710 -5.966 1.00 0.00 H new ATOM 333 N ASP A 22 3.624 -4.846 -0.697 1.00 0.00 N ATOM 334 CA ASP A 22 3.204 -5.521 0.566 1.00 0.00 C ATOM 335 C ASP A 22 1.760 -6.019 0.447 1.00 0.00 C ATOM 336 O ASP A 22 1.288 -6.783 1.265 1.00 0.00 O ATOM 337 CB ASP A 22 3.309 -4.441 1.641 1.00 0.00 C ATOM 338 CG ASP A 22 4.657 -3.727 1.520 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.669 -4.407 1.543 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.652 -2.512 1.408 1.00 0.00 O ATOM 0 H ASP A 22 3.020 -4.083 -1.004 1.00 0.00 H new ATOM 0 HA ASP A 22 3.821 -6.390 0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.495 -3.724 1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.210 -4.887 2.630 1.00 0.00 H new ATOM 345 N ASN A 23 1.057 -5.590 -0.564 1.00 0.00 N ATOM 346 CA ASN A 23 -0.357 -6.038 -0.734 1.00 0.00 C ATOM 347 C ASN A 23 -1.206 -5.564 0.447 1.00 0.00 C ATOM 348 O ASN A 23 -2.241 -6.127 0.745 1.00 0.00 O ATOM 349 CB ASN A 23 -0.303 -7.564 -0.761 1.00 0.00 C ATOM 350 CG ASN A 23 0.913 -8.031 -1.566 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.867 -8.090 -2.779 1.00 0.00 O ATOM 352 ND2 ASN A 23 2.006 -8.368 -0.938 1.00 0.00 N ATOM 0 H ASN A 23 1.398 -4.949 -1.280 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.804 -5.631 -1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.247 -7.952 0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.217 -7.961 -1.204 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.821 -8.681 -1.465 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.045 -8.319 0.080 1.00 0.00 H new ATOM 359 N ASN A 24 -0.781 -4.530 1.120 1.00 0.00 N ATOM 360 CA ASN A 24 -1.572 -4.021 2.278 1.00 0.00 C ATOM 361 C ASN A 24 -2.689 -3.098 1.783 1.00 0.00 C ATOM 362 O ASN A 24 -3.278 -2.357 2.545 1.00 0.00 O ATOM 363 CB ASN A 24 -0.577 -3.234 3.134 1.00 0.00 C ATOM 364 CG ASN A 24 0.738 -4.010 3.245 1.00 0.00 C ATOM 365 OD1 ASN A 24 1.784 -3.426 3.450 1.00 0.00 O ATOM 366 ND2 ASN A 24 0.729 -5.308 3.118 1.00 0.00 N ATOM 0 H ASN A 24 0.077 -4.016 0.920 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.041 -4.828 2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.396 -2.255 2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.993 -3.062 4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.600 -5.834 3.191 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.149 -5.798 2.946 1.00 0.00 H new ATOM 373 N GLY A 25 -2.977 -3.130 0.511 1.00 0.00 N ATOM 374 CA GLY A 25 -4.047 -2.246 -0.030 1.00 0.00 C ATOM 375 C GLY A 25 -3.556 -0.798 -0.018 1.00 0.00 C ATOM 376 O GLY A 25 -4.301 0.124 -0.284 1.00 0.00 O ATOM 0 H GLY A 25 -2.519 -3.729 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.305 -2.547 -1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.952 -2.341 0.570 1.00 0.00 H new ATOM 380 N SER A 26 -2.303 -0.593 0.292 1.00 0.00 N ATOM 381 CA SER A 26 -1.758 0.792 0.325 1.00 0.00 C ATOM 382 C SER A 26 -0.389 0.830 -0.360 1.00 0.00 C ATOM 383 O SER A 26 0.321 -0.155 -0.401 1.00 0.00 O ATOM 384 CB SER A 26 -1.626 1.126 1.810 1.00 0.00 C ATOM 385 OG SER A 26 -0.370 1.751 2.042 1.00 0.00 O ATOM 0 H SER A 26 -1.634 -1.327 0.524 1.00 0.00 H new ATOM 0 HA SER A 26 -2.396 1.505 -0.197 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.436 1.786 2.119 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.709 0.218 2.407 1.00 0.00 H new ATOM 0 HG SER A 26 -0.283 1.968 2.994 1.00 0.00 H new ATOM 391 N ILE A 27 -0.016 1.956 -0.903 1.00 0.00 N ATOM 392 CA ILE A 27 1.305 2.047 -1.588 1.00 0.00 C ATOM 393 C ILE A 27 2.114 3.226 -1.041 1.00 0.00 C ATOM 394 O ILE A 27 1.635 4.340 -0.968 1.00 0.00 O ATOM 395 CB ILE A 27 0.966 2.271 -3.061 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.459 0.966 -3.672 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.216 2.734 -3.811 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.416 1.282 -4.885 1.00 0.00 C ATOM 0 H ILE A 27 -0.566 2.815 -0.902 1.00 0.00 H new ATOM 0 HA ILE A 27 1.910 1.154 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 27 0.192 3.035 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.300 0.339 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.112 0.403 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.972 2.893 -4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.576 3.667 -3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.992 1.973 -3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.779 0.353 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.264 1.892 -4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.171 1.827 -5.625 1.00 0.00 H new ATOM 410 N SER A 28 3.339 2.988 -0.661 1.00 0.00 N ATOM 411 CA SER A 28 4.182 4.093 -0.124 1.00 0.00 C ATOM 412 C SER A 28 5.049 4.683 -1.241 1.00 0.00 C ATOM 413 O SER A 28 4.793 4.477 -2.412 1.00 0.00 O ATOM 414 CB SER A 28 5.057 3.442 0.946 1.00 0.00 C ATOM 415 OG SER A 28 5.069 4.263 2.106 1.00 0.00 O ATOM 0 H SER A 28 3.793 2.075 -0.699 1.00 0.00 H new ATOM 0 HA SER A 28 3.585 4.909 0.282 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.675 2.451 1.192 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.072 3.308 0.571 1.00 0.00 H new ATOM 0 HG SER A 28 5.628 3.847 2.795 1.00 0.00 H new ATOM 421 N SER A 29 6.070 5.414 -0.889 1.00 0.00 N ATOM 422 CA SER A 29 6.950 6.015 -1.932 1.00 0.00 C ATOM 423 C SER A 29 7.600 4.916 -2.779 1.00 0.00 C ATOM 424 O SER A 29 7.087 4.527 -3.809 1.00 0.00 O ATOM 425 CB SER A 29 8.013 6.790 -1.153 1.00 0.00 C ATOM 426 OG SER A 29 8.542 5.960 -0.129 1.00 0.00 O ATOM 0 H SER A 29 6.333 5.621 0.074 1.00 0.00 H new ATOM 0 HA SER A 29 6.397 6.656 -2.618 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.809 7.112 -1.824 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.578 7.690 -0.719 1.00 0.00 H new ATOM 0 HG SER A 29 9.225 6.453 0.371 1.00 0.00 H new ATOM 432 N SER A 30 8.727 4.417 -2.353 1.00 0.00 N ATOM 433 CA SER A 30 9.412 3.347 -3.134 1.00 0.00 C ATOM 434 C SER A 30 8.402 2.289 -3.588 1.00 0.00 C ATOM 435 O SER A 30 8.485 1.768 -4.682 1.00 0.00 O ATOM 436 CB SER A 30 10.425 2.737 -2.166 1.00 0.00 C ATOM 437 OG SER A 30 11.739 2.954 -2.663 1.00 0.00 O ATOM 0 H SER A 30 9.204 4.703 -1.498 1.00 0.00 H new ATOM 0 HA SER A 30 9.889 3.736 -4.034 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.318 3.187 -1.179 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.239 1.669 -2.052 1.00 0.00 H new ATOM 0 HG SER A 30 12.391 2.565 -2.043 1.00 0.00 H new ATOM 443 N GLU A 31 7.448 1.968 -2.757 1.00 0.00 N ATOM 444 CA GLU A 31 6.436 0.943 -3.145 1.00 0.00 C ATOM 445 C GLU A 31 5.938 1.201 -4.570 1.00 0.00 C ATOM 446 O GLU A 31 6.250 0.470 -5.488 1.00 0.00 O ATOM 447 CB GLU A 31 5.296 1.109 -2.139 1.00 0.00 C ATOM 448 CG GLU A 31 5.652 0.383 -0.841 1.00 0.00 C ATOM 449 CD GLU A 31 4.369 -0.088 -0.151 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.524 -0.645 -0.831 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.254 0.118 1.046 1.00 0.00 O ATOM 0 H GLU A 31 7.325 2.370 -1.828 1.00 0.00 H new ATOM 0 HA GLU A 31 6.847 -0.067 -3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.123 2.167 -1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.371 0.706 -2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.297 -0.469 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.209 1.048 -0.181 1.00 0.00 H new ATOM 458 N LEU A 32 5.164 2.234 -4.762 1.00 0.00 N ATOM 459 CA LEU A 32 4.647 2.534 -6.129 1.00 0.00 C ATOM 460 C LEU A 32 5.809 2.649 -7.119 1.00 0.00 C ATOM 461 O LEU A 32 5.654 2.418 -8.301 1.00 0.00 O ATOM 462 CB LEU A 32 3.921 3.873 -5.995 1.00 0.00 C ATOM 463 CG LEU A 32 2.543 3.776 -6.654 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.820 5.117 -6.524 1.00 0.00 C ATOM 465 CD2 LEU A 32 2.711 3.430 -8.136 1.00 0.00 C ATOM 0 H LEU A 32 4.867 2.883 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 32 3.988 1.750 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.815 4.137 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.505 4.664 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 32 1.958 2.999 -6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.839 5.048 -6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.701 5.366 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.404 5.894 -7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.730 3.361 -8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.295 4.208 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.227 2.475 -8.230 1.00 0.00 H new ATOM 477 N ALA A 33 6.971 3.007 -6.645 1.00 0.00 N ATOM 478 CA ALA A 33 8.140 3.138 -7.562 1.00 0.00 C ATOM 479 C ALA A 33 8.635 1.754 -7.991 1.00 0.00 C ATOM 480 O ALA A 33 9.109 1.569 -9.095 1.00 0.00 O ATOM 481 CB ALA A 33 9.208 3.858 -6.738 1.00 0.00 C ATOM 0 H ALA A 33 7.162 3.214 -5.665 1.00 0.00 H new ATOM 0 HA ALA A 33 7.892 3.682 -8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.104 3.994 -7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.831 4.831 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.451 3.263 -5.858 1.00 0.00 H new ATOM 487 N THR A 34 8.531 0.782 -7.128 1.00 0.00 N ATOM 488 CA THR A 34 8.997 -0.589 -7.487 1.00 0.00 C ATOM 489 C THR A 34 8.365 -1.035 -8.808 1.00 0.00 C ATOM 490 O THR A 34 8.880 -1.895 -9.494 1.00 0.00 O ATOM 491 CB THR A 34 8.526 -1.481 -6.338 1.00 0.00 C ATOM 492 OG1 THR A 34 8.295 -0.684 -5.186 1.00 0.00 O ATOM 493 CG2 THR A 34 9.598 -2.529 -6.030 1.00 0.00 C ATOM 0 H THR A 34 8.144 0.877 -6.189 1.00 0.00 H new ATOM 0 HA THR A 34 10.078 -0.635 -7.622 1.00 0.00 H new ATOM 0 HB THR A 34 7.602 -1.984 -6.623 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.335 -0.506 -5.098 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.261 -3.164 -5.211 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.774 -3.141 -6.915 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.524 -2.029 -5.745 1.00 0.00 H new ATOM 501 N VAL A 35 7.251 -0.458 -9.168 1.00 0.00 N ATOM 502 CA VAL A 35 6.588 -0.852 -10.445 1.00 0.00 C ATOM 503 C VAL A 35 7.605 -0.862 -11.589 1.00 0.00 C ATOM 504 O VAL A 35 7.415 -1.515 -12.595 1.00 0.00 O ATOM 505 CB VAL A 35 5.521 0.218 -10.683 1.00 0.00 C ATOM 506 CG1 VAL A 35 6.195 1.532 -11.083 1.00 0.00 C ATOM 507 CG2 VAL A 35 4.587 -0.237 -11.805 1.00 0.00 C ATOM 0 H VAL A 35 6.772 0.268 -8.635 1.00 0.00 H new ATOM 0 HA VAL A 35 6.158 -1.852 -10.396 1.00 0.00 H new ATOM 0 HB VAL A 35 4.947 0.368 -9.769 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.434 2.294 -11.253 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.862 1.856 -10.284 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.769 1.383 -11.997 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.826 0.524 -11.976 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.162 -0.387 -12.719 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.106 -1.173 -11.521 1.00 0.00 H new ATOM 517 N MET A 36 8.684 -0.143 -11.442 1.00 0.00 N ATOM 518 CA MET A 36 9.712 -0.115 -12.522 1.00 0.00 C ATOM 519 C MET A 36 10.304 -1.513 -12.722 1.00 0.00 C ATOM 520 O MET A 36 10.930 -1.795 -13.725 1.00 0.00 O ATOM 521 CB MET A 36 10.784 0.857 -12.026 1.00 0.00 C ATOM 522 CG MET A 36 10.806 2.094 -12.925 1.00 0.00 C ATOM 523 SD MET A 36 12.449 2.852 -12.868 1.00 0.00 S ATOM 524 CE MET A 36 12.628 3.136 -14.645 1.00 0.00 C ATOM 0 H MET A 36 8.898 0.425 -10.623 1.00 0.00 H new ATOM 0 HA MET A 36 9.296 0.195 -13.481 1.00 0.00 H new ATOM 0 HB2 MET A 36 10.578 1.147 -10.996 1.00 0.00 H new ATOM 0 HB3 MET A 36 11.760 0.372 -12.032 1.00 0.00 H new ATOM 0 HG2 MET A 36 10.557 1.817 -13.949 1.00 0.00 H new ATOM 0 HG3 MET A 36 10.052 2.809 -12.596 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.591 3.606 -14.843 1.00 0.00 H new ATOM 0 HE2 MET A 36 12.574 2.184 -15.173 1.00 0.00 H new ATOM 0 HE3 MET A 36 11.827 3.789 -14.992 1.00 0.00 H new ATOM 534 N ARG A 37 10.111 -2.390 -11.775 1.00 0.00 N ATOM 535 CA ARG A 37 10.662 -3.769 -11.911 1.00 0.00 C ATOM 536 C ARG A 37 10.357 -4.322 -13.305 1.00 0.00 C ATOM 537 O ARG A 37 11.197 -4.927 -13.941 1.00 0.00 O ATOM 538 CB ARG A 37 9.946 -4.589 -10.839 1.00 0.00 C ATOM 539 CG ARG A 37 10.848 -5.741 -10.390 1.00 0.00 C ATOM 540 CD ARG A 37 12.020 -5.184 -9.578 1.00 0.00 C ATOM 541 NE ARG A 37 12.155 -6.108 -8.418 1.00 0.00 N ATOM 542 CZ ARG A 37 13.009 -7.093 -8.463 1.00 0.00 C ATOM 543 NH1 ARG A 37 14.262 -6.857 -8.745 1.00 0.00 N ATOM 544 NH2 ARG A 37 12.611 -8.313 -8.229 1.00 0.00 N ATOM 0 H ARG A 37 9.596 -2.212 -10.913 1.00 0.00 H new ATOM 0 HA ARG A 37 11.745 -3.797 -11.788 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.696 -3.956 -9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.007 -4.980 -11.232 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.279 -6.450 -9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.219 -6.286 -11.258 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.934 -5.158 -10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.824 -4.163 -9.250 1.00 0.00 H new ATOM 0 HE ARG A 37 11.579 -5.971 -7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.572 -5.903 -8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.930 -7.627 -8.780 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.632 -8.497 -8.011 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.279 -9.083 -8.264 1.00 0.00 H new ATOM 558 N SER A 38 9.161 -4.120 -13.785 1.00 0.00 N ATOM 559 CA SER A 38 8.803 -4.634 -15.138 1.00 0.00 C ATOM 560 C SER A 38 9.340 -3.693 -16.219 1.00 0.00 C ATOM 561 O SER A 38 9.292 -3.992 -17.395 1.00 0.00 O ATOM 562 CB SER A 38 7.276 -4.661 -15.160 1.00 0.00 C ATOM 563 OG SER A 38 6.793 -5.025 -13.873 1.00 0.00 O ATOM 0 H SER A 38 8.416 -3.621 -13.299 1.00 0.00 H new ATOM 0 HA SER A 38 9.230 -5.618 -15.333 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.888 -3.683 -15.443 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.924 -5.372 -15.907 1.00 0.00 H new ATOM 0 HG SER A 38 5.813 -5.041 -13.884 1.00 0.00 H new ATOM 569 N LEU A 39 9.853 -2.557 -15.829 1.00 0.00 N ATOM 570 CA LEU A 39 10.392 -1.599 -16.838 1.00 0.00 C ATOM 571 C LEU A 39 11.753 -1.063 -16.388 1.00 0.00 C ATOM 572 O LEU A 39 12.128 0.049 -16.703 1.00 0.00 O ATOM 573 CB LEU A 39 9.363 -0.469 -16.898 1.00 0.00 C ATOM 574 CG LEU A 39 8.915 -0.263 -18.345 1.00 0.00 C ATOM 575 CD1 LEU A 39 10.134 0.027 -19.223 1.00 0.00 C ATOM 576 CD2 LEU A 39 8.217 -1.530 -18.846 1.00 0.00 C ATOM 0 H LEU A 39 9.922 -2.251 -14.858 1.00 0.00 H new ATOM 0 HA LEU A 39 10.543 -2.066 -17.811 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.505 -0.711 -16.271 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.795 0.452 -16.505 1.00 0.00 H new ATOM 0 HG LEU A 39 8.225 0.579 -18.394 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.813 0.174 -20.254 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.633 0.928 -18.867 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.826 -0.814 -19.174 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.897 -1.385 -19.878 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.909 -2.371 -18.795 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.348 -1.737 -18.222 1.00 0.00 H new ATOM 588 N GLY A 40 12.498 -1.846 -15.657 1.00 0.00 N ATOM 589 CA GLY A 40 13.836 -1.379 -15.192 1.00 0.00 C ATOM 590 C GLY A 40 13.738 -0.913 -13.739 1.00 0.00 C ATOM 591 O GLY A 40 13.595 0.261 -13.461 1.00 0.00 O ATOM 0 H GLY A 40 12.239 -2.787 -15.362 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.564 -2.185 -15.278 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.188 -0.563 -15.824 1.00 0.00 H new ATOM 595 N LEU A 41 13.815 -1.823 -12.808 1.00 0.00 N ATOM 596 CA LEU A 41 13.725 -1.431 -11.372 1.00 0.00 C ATOM 597 C LEU A 41 14.744 -0.334 -11.055 1.00 0.00 C ATOM 598 O LEU A 41 15.904 -0.602 -10.812 1.00 0.00 O ATOM 599 CB LEU A 41 14.052 -2.703 -10.589 1.00 0.00 C ATOM 600 CG LEU A 41 14.225 -2.358 -9.109 1.00 0.00 C ATOM 601 CD1 LEU A 41 12.857 -2.084 -8.484 1.00 0.00 C ATOM 602 CD2 LEU A 41 14.889 -3.533 -8.387 1.00 0.00 C ATOM 0 H LEU A 41 13.936 -2.821 -12.979 1.00 0.00 H new ATOM 0 HA LEU A 41 12.742 -1.036 -11.117 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.253 -3.435 -10.712 1.00 0.00 H new ATOM 0 HB3 LEU A 41 14.964 -3.158 -10.977 1.00 0.00 H new ATOM 0 HG LEU A 41 14.851 -1.471 -9.014 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.981 -1.838 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.383 -1.248 -8.998 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.230 -2.970 -8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 41 15.013 -3.289 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.263 -4.420 -8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 41 15.865 -3.728 -8.831 1.00 0.00 H new ATOM 614 N SER A 42 14.320 0.899 -11.054 1.00 0.00 N ATOM 615 CA SER A 42 15.263 2.014 -10.750 1.00 0.00 C ATOM 616 C SER A 42 14.525 3.354 -10.787 1.00 0.00 C ATOM 617 O SER A 42 14.872 4.233 -11.552 1.00 0.00 O ATOM 618 CB SER A 42 16.318 1.951 -11.853 1.00 0.00 C ATOM 619 OG SER A 42 17.608 2.127 -11.280 1.00 0.00 O ATOM 0 H SER A 42 13.361 1.184 -11.251 1.00 0.00 H new ATOM 0 HA SER A 42 15.706 1.923 -9.758 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.264 0.992 -12.369 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.129 2.725 -12.597 1.00 0.00 H new ATOM 0 HG SER A 42 18.288 2.085 -11.985 1.00 0.00 H new ATOM 625 N PRO A 43 13.525 3.464 -9.957 1.00 0.00 N ATOM 626 CA PRO A 43 12.724 4.705 -9.891 1.00 0.00 C ATOM 627 C PRO A 43 13.437 5.750 -9.028 1.00 0.00 C ATOM 628 O PRO A 43 13.653 5.551 -7.850 1.00 0.00 O ATOM 629 CB PRO A 43 11.426 4.253 -9.234 1.00 0.00 C ATOM 630 CG PRO A 43 11.781 3.036 -8.434 1.00 0.00 C ATOM 631 CD PRO A 43 13.050 2.451 -9.009 1.00 0.00 C ATOM 0 HA PRO A 43 12.565 5.170 -10.864 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.017 5.036 -8.596 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.668 4.023 -9.982 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.923 3.298 -7.386 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.973 2.305 -8.473 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.788 2.260 -8.230 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.859 1.500 -9.507 1.00 0.00 H new ATOM 639 N SER A 44 13.803 6.861 -9.605 1.00 0.00 N ATOM 640 CA SER A 44 14.499 7.914 -8.811 1.00 0.00 C ATOM 641 C SER A 44 13.526 8.551 -7.817 1.00 0.00 C ATOM 642 O SER A 44 12.386 8.811 -8.141 1.00 0.00 O ATOM 643 CB SER A 44 14.966 8.944 -9.839 1.00 0.00 C ATOM 644 OG SER A 44 14.940 8.361 -11.136 1.00 0.00 O ATOM 0 H SER A 44 13.651 7.086 -10.588 1.00 0.00 H new ATOM 0 HA SER A 44 15.331 7.513 -8.232 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.321 9.822 -9.810 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.974 9.282 -9.600 1.00 0.00 H new ATOM 0 HG SER A 44 15.238 9.020 -11.797 1.00 0.00 H new ATOM 650 N GLU A 45 13.971 8.793 -6.609 1.00 0.00 N ATOM 651 CA GLU A 45 13.080 9.410 -5.577 1.00 0.00 C ATOM 652 C GLU A 45 12.121 10.413 -6.220 1.00 0.00 C ATOM 653 O GLU A 45 10.977 10.532 -5.828 1.00 0.00 O ATOM 654 CB GLU A 45 14.029 10.121 -4.612 1.00 0.00 C ATOM 655 CG GLU A 45 14.857 11.155 -5.378 1.00 0.00 C ATOM 656 CD GLU A 45 16.064 11.570 -4.536 1.00 0.00 C ATOM 657 OE1 GLU A 45 16.022 11.363 -3.334 1.00 0.00 O ATOM 658 OE2 GLU A 45 17.011 12.087 -5.106 1.00 0.00 O ATOM 0 H GLU A 45 14.918 8.589 -6.291 1.00 0.00 H new ATOM 0 HA GLU A 45 12.462 8.666 -5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.461 10.609 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.687 9.396 -4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.190 10.738 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.245 12.027 -5.610 1.00 0.00 H new ATOM 665 N ALA A 46 12.570 11.130 -7.214 1.00 0.00 N ATOM 666 CA ALA A 46 11.672 12.111 -7.883 1.00 0.00 C ATOM 667 C ALA A 46 10.456 11.382 -8.456 1.00 0.00 C ATOM 668 O ALA A 46 9.325 11.691 -8.136 1.00 0.00 O ATOM 669 CB ALA A 46 12.513 12.722 -9.004 1.00 0.00 C ATOM 0 H ALA A 46 13.517 11.079 -7.590 1.00 0.00 H new ATOM 0 HA ALA A 46 11.300 12.875 -7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.918 13.458 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.390 13.208 -8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.831 11.937 -9.690 1.00 0.00 H new ATOM 675 N GLU A 47 10.681 10.404 -9.291 1.00 0.00 N ATOM 676 CA GLU A 47 9.541 9.642 -9.874 1.00 0.00 C ATOM 677 C GLU A 47 8.917 8.750 -8.797 1.00 0.00 C ATOM 678 O GLU A 47 7.737 8.461 -8.819 1.00 0.00 O ATOM 679 CB GLU A 47 10.160 8.792 -10.985 1.00 0.00 C ATOM 680 CG GLU A 47 10.832 9.704 -12.012 1.00 0.00 C ATOM 681 CD GLU A 47 9.848 10.015 -13.141 1.00 0.00 C ATOM 682 OE1 GLU A 47 8.950 10.810 -12.916 1.00 0.00 O ATOM 683 OE2 GLU A 47 10.009 9.452 -14.211 1.00 0.00 O ATOM 0 H GLU A 47 11.606 10.100 -9.595 1.00 0.00 H new ATOM 0 HA GLU A 47 8.752 10.291 -10.255 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.890 8.101 -10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.391 8.189 -11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.158 10.628 -11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.723 9.222 -12.414 1.00 0.00 H new ATOM 690 N VAL A 48 9.706 8.323 -7.851 1.00 0.00 N ATOM 691 CA VAL A 48 9.175 7.459 -6.759 1.00 0.00 C ATOM 692 C VAL A 48 8.198 8.263 -5.903 1.00 0.00 C ATOM 693 O VAL A 48 7.014 7.996 -5.864 1.00 0.00 O ATOM 694 CB VAL A 48 10.403 7.074 -5.931 1.00 0.00 C ATOM 695 CG1 VAL A 48 10.022 6.000 -4.913 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.497 6.532 -6.849 1.00 0.00 C ATOM 0 H VAL A 48 10.701 8.536 -7.787 1.00 0.00 H new ATOM 0 HA VAL A 48 8.644 6.585 -7.136 1.00 0.00 H new ATOM 0 HB VAL A 48 10.771 7.958 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.899 5.728 -4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.246 6.385 -4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.649 5.119 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.369 6.259 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.127 5.652 -7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.776 7.297 -7.573 1.00 0.00 H new ATOM 706 N ASN A 49 8.700 9.253 -5.224 1.00 0.00 N ATOM 707 CA ASN A 49 7.829 10.100 -4.366 1.00 0.00 C ATOM 708 C ASN A 49 6.750 10.777 -5.219 1.00 0.00 C ATOM 709 O ASN A 49 5.622 10.938 -4.797 1.00 0.00 O ATOM 710 CB ASN A 49 8.795 11.128 -3.766 1.00 0.00 C ATOM 711 CG ASN A 49 8.049 12.419 -3.415 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.072 12.394 -2.694 1.00 0.00 O ATOM 713 ND2 ASN A 49 8.472 13.555 -3.898 1.00 0.00 N ATOM 0 H ASN A 49 9.686 9.514 -5.227 1.00 0.00 H new ATOM 0 HA ASN A 49 7.299 9.538 -3.597 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.265 10.717 -2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.594 11.343 -4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.982 14.420 -3.670 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.292 13.578 -4.504 1.00 0.00 H new ATOM 720 N ASP A 50 7.088 11.173 -6.416 1.00 0.00 N ATOM 721 CA ASP A 50 6.079 11.837 -7.293 1.00 0.00 C ATOM 722 C ASP A 50 4.952 10.859 -7.633 1.00 0.00 C ATOM 723 O ASP A 50 3.788 11.206 -7.604 1.00 0.00 O ATOM 724 CB ASP A 50 6.847 12.232 -8.554 1.00 0.00 C ATOM 725 CG ASP A 50 5.889 12.888 -9.550 1.00 0.00 C ATOM 726 OD1 ASP A 50 4.954 13.534 -9.105 1.00 0.00 O ATOM 727 OD2 ASP A 50 6.107 12.735 -10.741 1.00 0.00 O ATOM 0 H ASP A 50 8.016 11.066 -6.825 1.00 0.00 H new ATOM 0 HA ASP A 50 5.617 12.700 -6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.653 12.921 -8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.308 11.352 -9.002 1.00 0.00 H new ATOM 732 N LEU A 51 5.287 9.639 -7.951 1.00 0.00 N ATOM 733 CA LEU A 51 4.230 8.643 -8.290 1.00 0.00 C ATOM 734 C LEU A 51 3.249 8.504 -7.124 1.00 0.00 C ATOM 735 O LEU A 51 2.049 8.583 -7.298 1.00 0.00 O ATOM 736 CB LEU A 51 4.981 7.330 -8.521 1.00 0.00 C ATOM 737 CG LEU A 51 5.336 7.199 -10.003 1.00 0.00 C ATOM 738 CD1 LEU A 51 6.497 6.217 -10.165 1.00 0.00 C ATOM 739 CD2 LEU A 51 4.119 6.680 -10.773 1.00 0.00 C ATOM 0 H LEU A 51 6.244 9.289 -7.991 1.00 0.00 H new ATOM 0 HA LEU A 51 3.648 8.936 -9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.887 7.306 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.366 6.487 -8.208 1.00 0.00 H new ATOM 0 HG LEU A 51 5.628 8.174 -10.395 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.750 6.124 -11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.364 6.584 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.206 5.242 -9.774 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.370 6.586 -11.830 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.829 5.705 -10.381 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.290 7.379 -10.658 1.00 0.00 H new ATOM 751 N MET A 52 3.749 8.299 -5.936 1.00 0.00 N ATOM 752 CA MET A 52 2.841 8.159 -4.761 1.00 0.00 C ATOM 753 C MET A 52 2.142 9.491 -4.475 1.00 0.00 C ATOM 754 O MET A 52 1.018 9.528 -4.015 1.00 0.00 O ATOM 755 CB MET A 52 3.755 7.771 -3.598 1.00 0.00 C ATOM 756 CG MET A 52 3.012 7.970 -2.276 1.00 0.00 C ATOM 757 SD MET A 52 3.250 9.670 -1.699 1.00 0.00 S ATOM 758 CE MET A 52 4.992 9.509 -1.235 1.00 0.00 C ATOM 0 H MET A 52 4.745 8.222 -5.728 1.00 0.00 H new ATOM 0 HA MET A 52 2.059 7.418 -4.927 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.068 6.732 -3.699 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.660 8.379 -3.614 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.950 7.765 -2.409 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.381 7.266 -1.530 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.231 10.237 -0.459 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.177 8.503 -0.858 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.619 9.690 -2.108 1.00 0.00 H new ATOM 768 N ASN A 53 2.800 10.585 -4.744 1.00 0.00 N ATOM 769 CA ASN A 53 2.175 11.915 -4.488 1.00 0.00 C ATOM 770 C ASN A 53 1.228 12.282 -5.634 1.00 0.00 C ATOM 771 O ASN A 53 0.128 12.751 -5.417 1.00 0.00 O ATOM 772 CB ASN A 53 3.344 12.897 -4.420 1.00 0.00 C ATOM 773 CG ASN A 53 2.812 14.308 -4.160 1.00 0.00 C ATOM 774 OD1 ASN A 53 2.718 14.735 -3.027 1.00 0.00 O ATOM 775 ND2 ASN A 53 2.458 15.054 -5.169 1.00 0.00 N ATOM 0 H ASN A 53 3.744 10.616 -5.130 1.00 0.00 H new ATOM 0 HA ASN A 53 1.584 11.925 -3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.032 12.605 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.906 12.875 -5.354 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.102 15.996 -5.007 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.537 14.696 -6.121 1.00 0.00 H new ATOM 782 N GLU A 54 1.646 12.073 -6.853 1.00 0.00 N ATOM 783 CA GLU A 54 0.769 12.412 -8.010 1.00 0.00 C ATOM 784 C GLU A 54 -0.554 11.649 -7.906 1.00 0.00 C ATOM 785 O GLU A 54 -1.598 12.144 -8.280 1.00 0.00 O ATOM 786 CB GLU A 54 1.552 11.964 -9.244 1.00 0.00 C ATOM 787 CG GLU A 54 1.090 12.769 -10.461 1.00 0.00 C ATOM 788 CD GLU A 54 1.533 14.225 -10.308 1.00 0.00 C ATOM 789 OE1 GLU A 54 2.655 14.525 -10.684 1.00 0.00 O ATOM 790 OE2 GLU A 54 0.743 15.015 -9.819 1.00 0.00 O ATOM 0 H GLU A 54 2.556 11.683 -7.098 1.00 0.00 H new ATOM 0 HA GLU A 54 0.523 13.473 -8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.620 12.109 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.398 10.899 -9.419 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.510 12.344 -11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.005 12.716 -10.555 1.00 0.00 H new ATOM 797 N ILE A 55 -0.517 10.447 -7.398 1.00 0.00 N ATOM 798 CA ILE A 55 -1.773 9.653 -7.269 1.00 0.00 C ATOM 799 C ILE A 55 -2.390 9.867 -5.883 1.00 0.00 C ATOM 800 O ILE A 55 -3.552 9.588 -5.660 1.00 0.00 O ATOM 801 CB ILE A 55 -1.340 8.198 -7.449 1.00 0.00 C ATOM 802 CG1 ILE A 55 -2.574 7.324 -7.686 1.00 0.00 C ATOM 803 CG2 ILE A 55 -0.612 7.718 -6.192 1.00 0.00 C ATOM 804 CD1 ILE A 55 -2.319 6.392 -8.873 1.00 0.00 C ATOM 0 H ILE A 55 0.328 9.981 -7.067 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.527 9.945 -8.000 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.670 8.125 -8.306 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.796 6.740 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.444 7.950 -7.882 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.305 6.681 -6.323 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.268 8.338 -6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.280 7.793 -5.334 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.198 5.769 -9.042 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.118 6.985 -9.765 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.460 5.756 -8.659 1.00 0.00 H new ATOM 816 N ASP A 56 -1.621 10.360 -4.951 1.00 0.00 N ATOM 817 CA ASP A 56 -2.164 10.592 -3.582 1.00 0.00 C ATOM 818 C ASP A 56 -3.319 11.595 -3.634 1.00 0.00 C ATOM 819 O ASP A 56 -3.118 12.781 -3.804 1.00 0.00 O ATOM 820 CB ASP A 56 -0.993 11.166 -2.784 1.00 0.00 C ATOM 821 CG ASP A 56 -0.711 10.271 -1.576 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.664 9.804 -0.975 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.453 10.069 -1.271 1.00 0.00 O ATOM 0 H ASP A 56 -0.641 10.612 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.556 9.679 -3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.107 11.233 -3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.226 12.178 -2.454 1.00 0.00 H new ATOM 828 N VAL A 57 -4.529 11.126 -3.493 1.00 0.00 N ATOM 829 CA VAL A 57 -5.697 12.052 -3.537 1.00 0.00 C ATOM 830 C VAL A 57 -5.612 13.072 -2.399 1.00 0.00 C ATOM 831 O VAL A 57 -6.048 14.198 -2.527 1.00 0.00 O ATOM 832 CB VAL A 57 -6.920 11.154 -3.360 1.00 0.00 C ATOM 833 CG1 VAL A 57 -7.081 10.264 -4.592 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.734 10.275 -2.122 1.00 0.00 C ATOM 0 H VAL A 57 -4.759 10.143 -3.349 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.737 12.619 -4.467 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.809 11.773 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.954 9.623 -4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.213 10.887 -5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.191 9.646 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.607 9.634 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.845 9.657 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.618 10.907 -1.241 1.00 0.00 H new ATOM 844 N ASP A 58 -5.052 12.686 -1.287 1.00 0.00 N ATOM 845 CA ASP A 58 -4.939 13.634 -0.140 1.00 0.00 C ATOM 846 C ASP A 58 -3.469 13.971 0.125 1.00 0.00 C ATOM 847 O ASP A 58 -3.152 14.987 0.711 1.00 0.00 O ATOM 848 CB ASP A 58 -5.545 12.893 1.054 1.00 0.00 C ATOM 849 CG ASP A 58 -5.027 11.454 1.081 1.00 0.00 C ATOM 850 OD1 ASP A 58 -3.839 11.268 0.879 1.00 0.00 O ATOM 851 OD2 ASP A 58 -5.830 10.563 1.305 1.00 0.00 O ATOM 0 H ASP A 58 -4.667 11.756 -1.121 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.451 14.577 -0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.283 13.402 1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.633 12.897 0.984 1.00 0.00 H new ATOM 856 N GLY A 59 -2.569 13.130 -0.307 1.00 0.00 N ATOM 857 CA GLY A 59 -1.121 13.407 -0.083 1.00 0.00 C ATOM 858 C GLY A 59 -0.703 12.906 1.301 1.00 0.00 C ATOM 859 O GLY A 59 -0.412 13.681 2.191 1.00 0.00 O ATOM 0 H GLY A 59 -2.773 12.264 -0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.525 12.916 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.929 14.477 -0.165 1.00 0.00 H new ATOM 863 N ASN A 60 -0.664 11.616 1.489 1.00 0.00 N ATOM 864 CA ASN A 60 -0.258 11.065 2.815 1.00 0.00 C ATOM 865 C ASN A 60 1.015 10.228 2.665 1.00 0.00 C ATOM 866 O ASN A 60 1.226 9.270 3.381 1.00 0.00 O ATOM 867 CB ASN A 60 -1.425 10.182 3.256 1.00 0.00 C ATOM 868 CG ASN A 60 -2.727 10.980 3.189 1.00 0.00 C ATOM 869 OD1 ASN A 60 -3.795 10.411 3.075 1.00 0.00 O ATOM 870 ND2 ASN A 60 -2.686 12.283 3.258 1.00 0.00 N ATOM 0 H ASN A 60 -0.896 10.918 0.782 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.046 11.850 3.541 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.492 9.303 2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.259 9.823 4.272 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.550 12.823 3.216 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.790 12.761 3.354 1.00 0.00 H new ATOM 877 N HIS A 61 1.859 10.578 1.731 1.00 0.00 N ATOM 878 CA HIS A 61 3.116 9.798 1.523 1.00 0.00 C ATOM 879 C HIS A 61 2.781 8.399 0.996 1.00 0.00 C ATOM 880 O HIS A 61 3.641 7.551 0.865 1.00 0.00 O ATOM 881 CB HIS A 61 3.779 9.712 2.902 1.00 0.00 C ATOM 882 CG HIS A 61 3.679 11.043 3.597 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.383 12.213 2.914 1.00 0.00 N ATOM 884 CD2 HIS A 61 3.830 11.405 4.912 1.00 0.00 C ATOM 885 CE1 HIS A 61 3.366 13.214 3.813 1.00 0.00 C ATOM 886 NE2 HIS A 61 3.632 12.777 5.047 1.00 0.00 N ATOM 0 H HIS A 61 1.733 11.371 1.102 1.00 0.00 H new ATOM 0 HA HIS A 61 3.775 10.268 0.793 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.295 8.941 3.501 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.825 9.424 2.796 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.067 10.728 5.720 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.162 14.246 3.567 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.680 13.329 5.903 1.00 0.00 H new ATOM 894 N GLN A 62 1.536 8.157 0.689 1.00 0.00 N ATOM 895 CA GLN A 62 1.135 6.821 0.165 1.00 0.00 C ATOM 896 C GLN A 62 -0.309 6.871 -0.334 1.00 0.00 C ATOM 897 O GLN A 62 -1.062 7.763 0.003 1.00 0.00 O ATOM 898 CB GLN A 62 1.256 5.859 1.348 1.00 0.00 C ATOM 899 CG GLN A 62 0.739 6.533 2.622 1.00 0.00 C ATOM 900 CD GLN A 62 0.225 5.467 3.592 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.940 5.457 3.940 1.00 0.00 O ATOM 902 NE2 GLN A 62 1.049 4.562 4.044 1.00 0.00 N ATOM 0 H GLN A 62 0.776 8.831 0.779 1.00 0.00 H new ATOM 0 HA GLN A 62 1.759 6.506 -0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.686 4.951 1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.296 5.560 1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.536 7.111 3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.060 7.233 2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.026 4.571 3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.716 3.846 4.689 1.00 0.00 H new ATOM 911 N ILE A 63 -0.700 5.925 -1.137 1.00 0.00 N ATOM 912 CA ILE A 63 -2.093 5.924 -1.658 1.00 0.00 C ATOM 913 C ILE A 63 -2.701 4.523 -1.561 1.00 0.00 C ATOM 914 O ILE A 63 -2.004 3.529 -1.567 1.00 0.00 O ATOM 915 CB ILE A 63 -1.961 6.348 -3.118 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.362 5.200 -3.931 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.052 7.574 -3.220 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.489 4.287 -4.421 1.00 0.00 C ATOM 0 H ILE A 63 -0.116 5.152 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.746 6.588 -1.092 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.947 6.597 -3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.802 5.593 -4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.659 4.634 -3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.961 7.873 -4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.481 8.394 -2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.066 7.330 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.066 3.467 -5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.030 3.885 -3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.174 4.859 -5.047 1.00 0.00 H new ATOM 930 N GLU A 64 -4.000 4.440 -1.488 1.00 0.00 N ATOM 931 CA GLU A 64 -4.662 3.109 -1.408 1.00 0.00 C ATOM 932 C GLU A 64 -5.240 2.749 -2.777 1.00 0.00 C ATOM 933 O GLU A 64 -5.254 3.559 -3.681 1.00 0.00 O ATOM 934 CB GLU A 64 -5.778 3.277 -0.376 1.00 0.00 C ATOM 935 CG GLU A 64 -5.201 3.878 0.907 1.00 0.00 C ATOM 936 CD GLU A 64 -6.332 4.494 1.736 1.00 0.00 C ATOM 937 OE1 GLU A 64 -6.764 5.582 1.394 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.744 3.866 2.696 1.00 0.00 O ATOM 0 H GLU A 64 -4.633 5.239 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.975 2.312 -1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.561 3.924 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.239 2.313 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.690 3.107 1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.459 4.638 0.663 1.00 0.00 H new ATOM 945 N PHE A 65 -5.716 1.547 -2.946 1.00 0.00 N ATOM 946 CA PHE A 65 -6.283 1.169 -4.270 1.00 0.00 C ATOM 947 C PHE A 65 -7.196 2.282 -4.788 1.00 0.00 C ATOM 948 O PHE A 65 -6.851 2.998 -5.706 1.00 0.00 O ATOM 949 CB PHE A 65 -7.089 -0.104 -4.028 1.00 0.00 C ATOM 950 CG PHE A 65 -7.873 -0.409 -5.278 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.196 -0.699 -6.468 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.271 -0.384 -5.254 1.00 0.00 C ATOM 953 CE1 PHE A 65 -7.918 -0.964 -7.634 1.00 0.00 C ATOM 954 CE2 PHE A 65 -9.993 -0.652 -6.422 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.317 -0.941 -7.611 1.00 0.00 C ATOM 0 H PHE A 65 -5.737 0.817 -2.233 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.502 1.015 -5.014 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.425 -0.933 -3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.761 0.027 -3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.116 -0.718 -6.485 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.792 -0.158 -4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.397 -1.187 -8.553 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.073 -0.636 -6.405 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.875 -1.147 -8.513 1.00 0.00 H new ATOM 965 N SER A 66 -8.360 2.423 -4.206 1.00 0.00 N ATOM 966 CA SER A 66 -9.314 3.485 -4.651 1.00 0.00 C ATOM 967 C SER A 66 -8.556 4.741 -5.094 1.00 0.00 C ATOM 968 O SER A 66 -8.855 5.327 -6.115 1.00 0.00 O ATOM 969 CB SER A 66 -10.172 3.784 -3.423 1.00 0.00 C ATOM 970 OG SER A 66 -10.672 5.111 -3.511 1.00 0.00 O ATOM 0 H SER A 66 -8.693 1.843 -3.436 1.00 0.00 H new ATOM 0 HA SER A 66 -9.913 3.165 -5.503 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.998 3.075 -3.361 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.581 3.665 -2.515 1.00 0.00 H new ATOM 0 HG SER A 66 -11.224 5.305 -2.725 1.00 0.00 H new ATOM 976 N GLU A 67 -7.568 5.153 -4.345 1.00 0.00 N ATOM 977 CA GLU A 67 -6.792 6.360 -4.747 1.00 0.00 C ATOM 978 C GLU A 67 -6.132 6.101 -6.101 1.00 0.00 C ATOM 979 O GLU A 67 -6.190 6.916 -7.002 1.00 0.00 O ATOM 980 CB GLU A 67 -5.739 6.543 -3.653 1.00 0.00 C ATOM 981 CG GLU A 67 -6.433 6.759 -2.307 1.00 0.00 C ATOM 982 CD GLU A 67 -5.454 7.401 -1.321 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.840 8.389 -1.686 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.337 6.894 -0.218 1.00 0.00 O ATOM 0 H GLU A 67 -7.267 4.709 -3.478 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.413 7.250 -4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.093 5.666 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.101 7.396 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.307 7.398 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.789 5.807 -1.913 1.00 0.00 H new ATOM 991 N PHE A 68 -5.523 4.957 -6.257 1.00 0.00 N ATOM 992 CA PHE A 68 -4.878 4.625 -7.557 1.00 0.00 C ATOM 993 C PHE A 68 -5.919 4.737 -8.673 1.00 0.00 C ATOM 994 O PHE A 68 -5.623 5.157 -9.774 1.00 0.00 O ATOM 995 CB PHE A 68 -4.388 3.180 -7.388 1.00 0.00 C ATOM 996 CG PHE A 68 -4.322 2.477 -8.725 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.531 2.997 -9.757 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.047 1.295 -8.927 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.467 2.335 -10.990 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.980 0.633 -10.158 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.190 1.154 -11.190 1.00 0.00 C ATOM 0 H PHE A 68 -5.445 4.237 -5.538 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.057 5.292 -7.820 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.403 3.177 -6.921 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.059 2.639 -6.720 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.971 3.907 -9.603 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.658 0.894 -8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.859 2.737 -11.787 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.537 -0.279 -10.312 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.139 0.644 -12.141 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.141 4.376 -8.387 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.212 4.470 -9.418 1.00 0.00 C ATOM 1013 C LEU A 69 -8.496 5.939 -9.734 1.00 0.00 C ATOM 1014 O LEU A 69 -8.483 6.356 -10.875 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.436 3.813 -8.780 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.481 2.335 -9.166 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.870 2.204 -10.638 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.104 1.708 -8.945 1.00 0.00 C ATOM 0 H LEU A 69 -7.444 4.019 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.935 3.985 -10.354 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.393 3.915 -7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.345 4.314 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.218 1.821 -8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.902 1.150 -10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.852 2.650 -10.796 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.134 2.718 -11.256 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.136 0.654 -9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.367 2.222 -9.562 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.826 1.801 -7.895 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.744 6.730 -8.725 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.022 8.174 -8.963 1.00 0.00 C ATOM 1032 C ALA A 70 -8.025 8.732 -9.981 1.00 0.00 C ATOM 1033 O ALA A 70 -8.382 9.475 -10.873 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.832 8.841 -7.600 1.00 0.00 C ATOM 0 H ALA A 70 -8.766 6.438 -7.748 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.021 8.349 -9.363 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.019 9.911 -7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.530 8.409 -6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.811 8.679 -7.255 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.776 8.375 -9.855 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.756 8.879 -10.818 1.00 0.00 C ATOM 1042 C LEU A 71 -5.720 7.989 -12.063 1.00 0.00 C ATOM 1043 O LEU A 71 -5.270 8.396 -13.115 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.427 8.801 -10.064 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.508 9.929 -10.535 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -3.815 11.202 -9.745 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.050 9.526 -10.305 1.00 0.00 C ATOM 0 H LEU A 71 -6.418 7.756 -9.127 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.973 9.892 -11.158 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.600 8.882 -8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.954 7.835 -10.238 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.673 10.113 -11.597 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.160 12.006 -10.081 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.854 11.489 -9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.650 11.020 -8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.393 10.329 -10.640 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.886 9.343 -9.243 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.830 8.619 -10.868 1.00 0.00 H new ATOM 1059 N MET A 72 -6.195 6.777 -11.953 1.00 0.00 N ATOM 1060 CA MET A 72 -6.186 5.866 -13.134 1.00 0.00 C ATOM 1061 C MET A 72 -7.272 6.281 -14.129 1.00 0.00 C ATOM 1062 O MET A 72 -7.002 6.921 -15.127 1.00 0.00 O ATOM 1063 CB MET A 72 -6.484 4.476 -12.571 1.00 0.00 C ATOM 1064 CG MET A 72 -5.311 3.545 -12.878 1.00 0.00 C ATOM 1065 SD MET A 72 -5.061 3.458 -14.668 1.00 0.00 S ATOM 1066 CE MET A 72 -3.438 2.659 -14.632 1.00 0.00 C ATOM 0 H MET A 72 -6.588 6.380 -11.100 1.00 0.00 H new ATOM 0 HA MET A 72 -5.235 5.894 -13.666 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.645 4.534 -11.495 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.401 4.082 -13.010 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.407 3.910 -12.391 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.509 2.550 -12.479 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.085 2.506 -15.652 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.732 3.293 -14.095 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.518 1.696 -14.127 1.00 0.00 H new ATOM 1076 N SER A 73 -8.499 5.923 -13.867 1.00 0.00 N ATOM 1077 CA SER A 73 -9.601 6.298 -14.799 1.00 0.00 C ATOM 1078 C SER A 73 -10.207 7.642 -14.386 1.00 0.00 C ATOM 1079 O SER A 73 -11.210 7.699 -13.702 1.00 0.00 O ATOM 1080 CB SER A 73 -10.633 5.180 -14.661 1.00 0.00 C ATOM 1081 OG SER A 73 -10.219 4.061 -15.434 1.00 0.00 O ATOM 0 H SER A 73 -8.787 5.387 -13.048 1.00 0.00 H new ATOM 0 HA SER A 73 -9.254 6.408 -15.827 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.739 4.894 -13.614 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.610 5.528 -14.997 1.00 0.00 H new ATOM 0 HG SER A 73 -9.604 3.509 -14.907 1.00 0.00 H new ATOM 1087 N ARG A 74 -9.606 8.725 -14.798 1.00 0.00 N ATOM 1088 CA ARG A 74 -10.150 10.065 -14.429 1.00 0.00 C ATOM 1089 C ARG A 74 -11.122 10.557 -15.504 1.00 0.00 C ATOM 1090 O ARG A 74 -12.173 11.088 -15.208 1.00 0.00 O ATOM 1091 CB ARG A 74 -8.926 10.979 -14.351 1.00 0.00 C ATOM 1092 CG ARG A 74 -9.258 12.206 -13.498 1.00 0.00 C ATOM 1093 CD ARG A 74 -8.748 13.467 -14.196 1.00 0.00 C ATOM 1094 NE ARG A 74 -9.145 14.589 -13.301 1.00 0.00 N ATOM 1095 CZ ARG A 74 -10.408 14.831 -13.079 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -11.077 15.602 -13.890 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -11.002 14.300 -12.045 1.00 0.00 N ATOM 0 H ARG A 74 -8.764 8.741 -15.373 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.703 10.043 -13.490 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.083 10.440 -13.919 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.626 11.289 -15.352 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.335 12.274 -13.343 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.800 12.112 -12.513 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.667 13.434 -14.331 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.190 13.576 -15.186 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.430 15.168 -12.861 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.613 16.016 -14.698 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.064 15.791 -13.716 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.479 13.696 -11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.989 14.489 -11.871 1.00 0.00 H new ATOM 1111 N GLN A 75 -10.777 10.385 -16.752 1.00 0.00 N ATOM 1112 CA GLN A 75 -11.683 10.843 -17.844 1.00 0.00 C ATOM 1113 C GLN A 75 -11.341 10.122 -19.151 1.00 0.00 C ATOM 1114 O GLN A 75 -10.653 9.121 -19.158 1.00 0.00 O ATOM 1115 CB GLN A 75 -11.418 12.343 -17.974 1.00 0.00 C ATOM 1116 CG GLN A 75 -12.690 13.118 -17.622 1.00 0.00 C ATOM 1117 CD GLN A 75 -12.606 14.530 -18.206 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -12.154 14.714 -19.319 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -13.025 15.542 -17.497 1.00 0.00 N ATOM 0 H GLN A 75 -9.909 9.948 -17.062 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.730 10.631 -17.629 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.604 12.638 -17.311 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.104 12.581 -18.990 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.565 12.601 -18.017 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.811 13.167 -16.540 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.404 15.388 -16.563 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.973 16.487 -17.877 1.00 0.00 H new ATOM 1128 N LEU A 76 -11.817 10.624 -20.258 1.00 0.00 N ATOM 1129 CA LEU A 76 -11.519 9.967 -21.564 1.00 0.00 C ATOM 1130 C LEU A 76 -10.488 10.786 -22.344 1.00 0.00 C ATOM 1131 O LEU A 76 -10.738 11.910 -22.731 1.00 0.00 O ATOM 1132 CB LEU A 76 -12.855 9.937 -22.306 1.00 0.00 C ATOM 1133 CG LEU A 76 -12.790 8.908 -23.435 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -14.146 8.215 -23.574 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -12.442 9.613 -24.748 1.00 0.00 C ATOM 0 H LEU A 76 -12.399 11.460 -20.315 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.101 8.968 -21.439 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.660 9.685 -21.616 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.080 10.923 -22.712 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.025 8.166 -23.206 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.099 7.482 -24.379 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -14.395 7.713 -22.639 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.912 8.956 -23.803 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.395 8.880 -25.553 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -13.207 10.355 -24.976 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.475 10.107 -24.651 1.00 0.00 H new ATOM 1147 N LYS A 77 -9.331 10.231 -22.579 1.00 0.00 N ATOM 1148 CA LYS A 77 -8.285 10.979 -23.334 1.00 0.00 C ATOM 1149 C LYS A 77 -7.065 10.085 -23.574 1.00 0.00 C ATOM 1150 O LYS A 77 -6.973 9.516 -24.649 1.00 0.00 O ATOM 1151 CB LYS A 77 -7.916 12.160 -22.437 1.00 0.00 C ATOM 1152 CG LYS A 77 -7.502 11.644 -21.058 1.00 0.00 C ATOM 1153 CD LYS A 77 -6.056 12.057 -20.771 1.00 0.00 C ATOM 1154 CE LYS A 77 -5.954 12.607 -19.347 1.00 0.00 C ATOM 1155 NZ LYS A 77 -4.537 13.040 -19.203 1.00 0.00 N ATOM 1156 OXT LYS A 77 -6.243 9.986 -22.678 1.00 0.00 O ATOM 0 H LYS A 77 -9.064 9.293 -22.281 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.637 11.306 -24.313 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.101 12.729 -22.884 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.764 12.838 -22.344 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.165 12.047 -20.293 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.596 10.559 -21.021 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.392 11.201 -20.890 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.733 12.812 -21.488 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.639 13.441 -19.196 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.211 11.846 -18.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.388 13.430 -18.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.908 12.224 -19.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.323 13.770 -19.913 1.00 0.00 H new TER 1170 LYS A 77 HETATM 1171 CA CA A 101 2.020 -1.545 1.360 1.00 0.00 CA HETATM 1172 CA CA A 102 -3.550 8.812 0.774 1.00 0.00 CA