USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=18 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= -1.4 K(o=-2.6,f=-6.7!) USER MOD Set 1.2: A 53 ASN : amide:sc= -1.22 K(o=-2.6,f=-1.8!) USER MOD Set 2.1: A 28 SER OG : rot -135:sc= 0.0824 USER MOD Set 2.2: A 60 ASN : amide:sc= 0.0767 K(o=0.16,f=-2.2!) USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= -0.698 USER MOD Set 3.2: A 8 GLN : amide:sc= -1.93! C(o=-2.6!,f=-7.3!) USER MOD Single : A 1 SER N :NH3+ -144:sc= 0.163 (180deg=0.0328) USER MOD Single : A 1 SER OG : rot 36:sc= 0.756 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -1.63 K(o=-1.6,f=-0.011) 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= 0.959 K(o=0.96,f=-0.6) USER MOD Single : A 24 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.1) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 123:sc= 0.611 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -153:sc= -0.848 (180deg=-2.23) USER MOD Single : A 38 SER OG : rot 50:sc= -0.0767 USER MOD Single : A 42 SER OG : rot -90:sc= -1.24! USER MOD Single : A 44 SER OG : rot 180:sc= -0.499! USER MOD Single : A 52 MET CE :methyl -118:sc= -2.95! (180deg=-6!) USER MOD Single : A 61 HIS : no HE2:sc= -11.8! C(o=-12!,f=-13!) USER MOD Single : A 62 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.28) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -155:sc= -5.27! (180deg=-6.82!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.758 K(o=-0.76,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.688 -1.242 -23.437 1.00 0.00 N ATOM 2 CA SER A 1 -6.343 0.006 -22.697 1.00 0.00 C ATOM 3 C SER A 1 -6.895 -0.055 -21.270 1.00 0.00 C ATOM 4 O SER A 1 -8.086 0.052 -21.051 1.00 0.00 O ATOM 5 CB SER A 1 -7.012 1.131 -23.484 1.00 0.00 C ATOM 6 OG SER A 1 -8.387 0.821 -23.669 1.00 0.00 O ATOM 0 H1 SER A 1 -5.905 -1.497 -24.072 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.849 -2.014 -22.759 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.551 -1.087 -23.996 1.00 0.00 H new ATOM 0 HA SER A 1 -5.266 0.152 -22.614 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.909 2.075 -22.950 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.522 1.256 -24.450 1.00 0.00 H new ATOM 0 HG SER A 1 -8.729 0.364 -22.873 1.00 0.00 H new ATOM 14 N SER A 2 -6.040 -0.224 -20.299 1.00 0.00 N ATOM 15 CA SER A 2 -6.518 -0.292 -18.888 1.00 0.00 C ATOM 16 C SER A 2 -7.756 -1.187 -18.791 1.00 0.00 C ATOM 17 O SER A 2 -8.877 -0.728 -18.897 1.00 0.00 O ATOM 18 CB SER A 2 -6.869 1.149 -18.520 1.00 0.00 C ATOM 19 OG SER A 2 -5.720 1.969 -18.688 1.00 0.00 O ATOM 0 H SER A 2 -5.032 -0.318 -20.421 1.00 0.00 H new ATOM 0 HA SER A 2 -5.769 -0.714 -18.218 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.683 1.510 -19.149 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.218 1.199 -17.489 1.00 0.00 H new ATOM 0 HG SER A 2 -5.942 2.895 -18.455 1.00 0.00 H new ATOM 25 N ASN A 3 -7.564 -2.462 -18.592 1.00 0.00 N ATOM 26 CA ASN A 3 -8.730 -3.386 -18.488 1.00 0.00 C ATOM 27 C ASN A 3 -8.512 -4.391 -17.354 1.00 0.00 C ATOM 28 O ASN A 3 -7.660 -5.253 -17.431 1.00 0.00 O ATOM 29 CB ASN A 3 -8.787 -4.103 -19.837 1.00 0.00 C ATOM 30 CG ASN A 3 -10.219 -4.572 -20.106 1.00 0.00 C ATOM 31 OD1 ASN A 3 -10.598 -4.785 -21.241 1.00 0.00 O ATOM 32 ND2 ASN A 3 -11.035 -4.743 -19.103 1.00 0.00 N ATOM 0 H ASN A 3 -6.650 -2.905 -18.497 1.00 0.00 H new ATOM 0 HA ASN A 3 -9.657 -2.857 -18.267 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.457 -3.433 -20.631 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.108 -4.956 -19.837 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.991 -5.056 -19.271 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.717 -4.564 -18.151 1.00 0.00 H new ATOM 39 N LEU A 4 -9.274 -4.285 -16.301 1.00 0.00 N ATOM 40 CA LEU A 4 -9.109 -5.235 -15.162 1.00 0.00 C ATOM 41 C LEU A 4 -10.297 -6.197 -15.100 1.00 0.00 C ATOM 42 O LEU A 4 -11.303 -6.000 -15.751 1.00 0.00 O ATOM 43 CB LEU A 4 -9.065 -4.353 -13.914 1.00 0.00 C ATOM 44 CG LEU A 4 -7.926 -4.811 -13.003 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.594 -4.300 -13.554 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.142 -4.251 -11.596 1.00 0.00 C ATOM 0 H LEU A 4 -10.004 -3.583 -16.179 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.212 -5.846 -15.260 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.921 -3.311 -14.198 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.015 -4.410 -13.382 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.909 -5.900 -12.963 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.782 -4.627 -12.904 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.439 -4.698 -14.557 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.611 -3.211 -13.594 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.330 -4.577 -10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.159 -3.162 -11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.091 -4.614 -11.202 1.00 0.00 H new ATOM 58 N THR A 5 -10.189 -7.238 -14.320 1.00 0.00 N ATOM 59 CA THR A 5 -11.314 -8.213 -14.216 1.00 0.00 C ATOM 60 C THR A 5 -11.270 -8.928 -12.863 1.00 0.00 C ATOM 61 O THR A 5 -10.606 -8.494 -11.943 1.00 0.00 O ATOM 62 CB THR A 5 -11.083 -9.207 -15.356 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.210 -8.628 -16.317 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.420 -9.547 -16.017 1.00 0.00 C ATOM 0 H THR A 5 -9.371 -7.456 -13.750 1.00 0.00 H new ATOM 0 HA THR A 5 -12.288 -7.729 -14.288 1.00 0.00 H new ATOM 0 HB THR A 5 -10.635 -10.118 -14.960 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.060 -9.264 -17.047 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.255 -10.255 -16.829 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.088 -9.991 -15.279 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.871 -8.638 -16.415 1.00 0.00 H new ATOM 72 N GLU A 6 -11.972 -10.020 -12.735 1.00 0.00 N ATOM 73 CA GLU A 6 -11.970 -10.762 -11.441 1.00 0.00 C ATOM 74 C GLU A 6 -10.564 -11.280 -11.131 1.00 0.00 C ATOM 75 O GLU A 6 -9.890 -10.786 -10.247 1.00 0.00 O ATOM 76 CB GLU A 6 -12.937 -11.927 -11.650 1.00 0.00 C ATOM 77 CG GLU A 6 -14.227 -11.669 -10.869 1.00 0.00 C ATOM 78 CD GLU A 6 -15.427 -11.787 -11.810 1.00 0.00 C ATOM 79 OE1 GLU A 6 -15.632 -12.864 -12.344 1.00 0.00 O ATOM 80 OE2 GLU A 6 -16.121 -10.798 -11.981 1.00 0.00 O ATOM 0 H GLU A 6 -12.547 -10.431 -13.470 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.268 -10.131 -10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.159 -12.043 -12.711 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.478 -12.858 -11.317 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.320 -12.386 -10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.200 -10.676 -10.420 1.00 0.00 H new ATOM 87 N GLU A 7 -10.113 -12.270 -11.852 1.00 0.00 N ATOM 88 CA GLU A 7 -8.750 -12.818 -11.597 1.00 0.00 C ATOM 89 C GLU A 7 -7.748 -11.678 -11.405 1.00 0.00 C ATOM 90 O GLU A 7 -6.921 -11.709 -10.516 1.00 0.00 O ATOM 91 CB GLU A 7 -8.409 -13.628 -12.849 1.00 0.00 C ATOM 92 CG GLU A 7 -9.051 -15.013 -12.753 1.00 0.00 C ATOM 93 CD GLU A 7 -10.023 -15.208 -13.917 1.00 0.00 C ATOM 94 OE1 GLU A 7 -9.882 -14.505 -14.905 1.00 0.00 O ATOM 95 OE2 GLU A 7 -10.894 -16.055 -13.801 1.00 0.00 O ATOM 0 H GLU A 7 -10.629 -12.723 -12.606 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.712 -13.427 -10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.768 -13.110 -13.739 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.328 -13.723 -12.950 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.281 -15.784 -12.775 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.578 -15.116 -11.804 1.00 0.00 H new ATOM 102 N GLN A 8 -7.815 -10.670 -12.231 1.00 0.00 N ATOM 103 CA GLN A 8 -6.866 -9.529 -12.092 1.00 0.00 C ATOM 104 C GLN A 8 -6.868 -9.014 -10.650 1.00 0.00 C ATOM 105 O GLN A 8 -5.863 -9.047 -9.968 1.00 0.00 O ATOM 106 CB GLN A 8 -7.392 -8.456 -13.047 1.00 0.00 C ATOM 107 CG GLN A 8 -6.219 -7.812 -13.788 1.00 0.00 C ATOM 108 CD GLN A 8 -6.357 -8.078 -15.288 1.00 0.00 C ATOM 109 OE1 GLN A 8 -7.267 -7.585 -15.924 1.00 0.00 O ATOM 110 NE2 GLN A 8 -5.484 -8.843 -15.886 1.00 0.00 N ATOM 0 H GLN A 8 -8.485 -10.587 -12.995 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.840 -9.813 -12.326 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.087 -8.898 -13.760 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.944 -7.699 -12.491 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.200 -6.739 -13.598 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.276 -8.217 -13.421 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.719 -9.258 -15.353 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.567 -9.026 -16.886 1.00 0.00 H new ATOM 119 N ILE A 9 -7.991 -8.541 -10.181 1.00 0.00 N ATOM 120 CA ILE A 9 -8.056 -8.028 -8.784 1.00 0.00 C ATOM 121 C ILE A 9 -7.478 -9.065 -7.816 1.00 0.00 C ATOM 122 O ILE A 9 -6.839 -8.728 -6.839 1.00 0.00 O ATOM 123 CB ILE A 9 -9.545 -7.810 -8.510 1.00 0.00 C ATOM 124 CG1 ILE A 9 -10.089 -6.754 -9.474 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.734 -7.331 -7.070 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.569 -6.505 -9.177 1.00 0.00 C ATOM 0 H ILE A 9 -8.865 -8.488 -10.705 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.480 -7.112 -8.652 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.083 -8.747 -8.654 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.525 -5.827 -9.370 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.965 -7.088 -10.504 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.795 -7.176 -6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.345 -8.082 -6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.197 -6.393 -6.925 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.956 -5.753 -9.864 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.127 -7.433 -9.303 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.680 -6.152 -8.152 1.00 0.00 H new ATOM 138 N ALA A 10 -7.697 -10.322 -8.085 1.00 0.00 N ATOM 139 CA ALA A 10 -7.160 -11.382 -7.184 1.00 0.00 C ATOM 140 C ALA A 10 -5.630 -11.325 -7.157 1.00 0.00 C ATOM 141 O ALA A 10 -5.024 -11.130 -6.122 1.00 0.00 O ATOM 142 CB ALA A 10 -7.637 -12.700 -7.793 1.00 0.00 C ATOM 0 H ALA A 10 -8.224 -10.662 -8.889 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.501 -11.263 -6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.281 -13.532 -7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.726 -12.713 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.244 -12.796 -8.805 1.00 0.00 H new ATOM 148 N GLU A 11 -5.001 -11.491 -8.288 1.00 0.00 N ATOM 149 CA GLU A 11 -3.512 -11.444 -8.326 1.00 0.00 C ATOM 150 C GLU A 11 -3.008 -10.170 -7.644 1.00 0.00 C ATOM 151 O GLU A 11 -1.977 -10.164 -7.001 1.00 0.00 O ATOM 152 CB GLU A 11 -3.153 -11.435 -9.813 1.00 0.00 C ATOM 153 CG GLU A 11 -2.865 -12.863 -10.279 1.00 0.00 C ATOM 154 CD GLU A 11 -2.314 -12.834 -11.705 1.00 0.00 C ATOM 155 OE1 GLU A 11 -1.107 -12.733 -11.850 1.00 0.00 O ATOM 156 OE2 GLU A 11 -3.108 -12.914 -12.628 1.00 0.00 O ATOM 0 H GLU A 11 -5.453 -11.657 -9.187 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.058 -12.286 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.973 -11.011 -10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.281 -10.803 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.147 -13.337 -9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.777 -13.459 -10.242 1.00 0.00 H new ATOM 163 N PHE A 12 -3.731 -9.091 -7.776 1.00 0.00 N ATOM 164 CA PHE A 12 -3.294 -7.818 -7.132 1.00 0.00 C ATOM 165 C PHE A 12 -3.305 -7.969 -5.609 1.00 0.00 C ATOM 166 O PHE A 12 -2.378 -7.576 -4.930 1.00 0.00 O ATOM 167 CB PHE A 12 -4.321 -6.777 -7.575 1.00 0.00 C ATOM 168 CG PHE A 12 -3.973 -6.282 -8.959 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.797 -7.194 -10.006 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.828 -4.909 -9.194 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.476 -6.734 -11.288 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.507 -4.449 -10.477 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.331 -5.362 -11.523 1.00 0.00 C ATOM 0 H PHE A 12 -4.604 -9.035 -8.301 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.280 -7.536 -7.417 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.320 -7.213 -7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.336 -5.944 -6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.909 -8.253 -9.824 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.964 -4.205 -8.386 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.340 -7.438 -12.096 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.395 -3.390 -10.659 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.083 -5.007 -12.513 1.00 0.00 H new ATOM 183 N LYS A 13 -4.347 -8.539 -5.068 1.00 0.00 N ATOM 184 CA LYS A 13 -4.414 -8.715 -3.588 1.00 0.00 C ATOM 185 C LYS A 13 -3.194 -9.498 -3.097 1.00 0.00 C ATOM 186 O LYS A 13 -2.478 -9.062 -2.218 1.00 0.00 O ATOM 187 CB LYS A 13 -5.696 -9.511 -3.341 1.00 0.00 C ATOM 188 CG LYS A 13 -6.301 -9.100 -1.997 1.00 0.00 C ATOM 189 CD LYS A 13 -7.809 -9.357 -2.016 1.00 0.00 C ATOM 190 CE LYS A 13 -8.492 -8.476 -0.968 1.00 0.00 C ATOM 191 NZ LYS A 13 -8.786 -9.388 0.171 1.00 0.00 N ATOM 0 H LYS A 13 -5.153 -8.890 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.418 -7.763 -3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.410 -9.329 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.479 -10.579 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.835 -9.664 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.104 -8.045 -1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.212 -9.142 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.012 -10.408 -1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.844 -7.656 -0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.405 -8.030 -1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.256 -8.855 0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.410 -10.155 -0.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.898 -9.792 0.530 1.00 0.00 H new ATOM 205 N GLU A 14 -2.948 -10.648 -3.662 1.00 0.00 N ATOM 206 CA GLU A 14 -1.771 -11.454 -3.228 1.00 0.00 C ATOM 207 C GLU A 14 -0.509 -10.590 -3.251 1.00 0.00 C ATOM 208 O GLU A 14 0.330 -10.675 -2.376 1.00 0.00 O ATOM 209 CB GLU A 14 -1.667 -12.586 -4.251 1.00 0.00 C ATOM 210 CG GLU A 14 -1.911 -13.927 -3.557 1.00 0.00 C ATOM 211 CD GLU A 14 -3.400 -14.075 -3.241 1.00 0.00 C ATOM 212 OE1 GLU A 14 -4.026 -13.069 -2.946 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.891 -15.191 -3.299 1.00 0.00 O ATOM 0 H GLU A 14 -3.510 -11.064 -4.404 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.879 -11.834 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.397 -12.439 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.682 -12.580 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.581 -14.745 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.326 -13.985 -2.639 1.00 0.00 H new ATOM 220 N ALA A 15 -0.368 -9.757 -4.247 1.00 0.00 N ATOM 221 CA ALA A 15 0.839 -8.885 -4.326 1.00 0.00 C ATOM 222 C ALA A 15 0.786 -7.813 -3.233 1.00 0.00 C ATOM 223 O ALA A 15 1.545 -7.842 -2.285 1.00 0.00 O ATOM 224 CB ALA A 15 0.770 -8.241 -5.712 1.00 0.00 C ATOM 0 H ALA A 15 -1.036 -9.643 -5.009 1.00 0.00 H new ATOM 0 HA ALA A 15 1.764 -9.443 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.627 -7.581 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.784 -9.019 -6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.150 -7.664 -5.799 1.00 0.00 H new ATOM 230 N PHE A 16 -0.106 -6.869 -3.360 1.00 0.00 N ATOM 231 CA PHE A 16 -0.212 -5.795 -2.331 1.00 0.00 C ATOM 232 C PHE A 16 -0.075 -6.387 -0.925 1.00 0.00 C ATOM 233 O PHE A 16 0.685 -5.904 -0.110 1.00 0.00 O ATOM 234 CB PHE A 16 -1.606 -5.202 -2.530 1.00 0.00 C ATOM 235 CG PHE A 16 -1.788 -4.015 -1.614 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.343 -2.749 -2.013 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.404 -4.181 -0.369 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.513 -1.648 -1.165 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.574 -3.081 0.480 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.129 -1.814 0.082 1.00 0.00 C ATOM 0 H PHE A 16 -0.767 -6.795 -4.133 1.00 0.00 H new ATOM 0 HA PHE A 16 0.572 -5.045 -2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.737 -4.896 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.366 -5.955 -2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.869 -2.622 -2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.748 -5.158 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.169 -0.671 -1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.048 -3.209 1.442 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.261 -0.965 0.737 1.00 0.00 H new ATOM 250 N ALA A 17 -0.805 -7.429 -0.636 1.00 0.00 N ATOM 251 CA ALA A 17 -0.719 -8.049 0.718 1.00 0.00 C ATOM 252 C ALA A 17 0.638 -8.734 0.905 1.00 0.00 C ATOM 253 O ALA A 17 1.115 -8.893 2.011 1.00 0.00 O ATOM 254 CB ALA A 17 -1.848 -9.080 0.753 1.00 0.00 C ATOM 0 H ALA A 17 -1.458 -7.878 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.813 -7.311 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.852 -9.582 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.804 -8.578 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.694 -9.815 -0.037 1.00 0.00 H new ATOM 260 N LEU A 18 1.263 -9.142 -0.166 1.00 0.00 N ATOM 261 CA LEU A 18 2.587 -9.817 -0.042 1.00 0.00 C ATOM 262 C LEU A 18 3.585 -8.903 0.674 1.00 0.00 C ATOM 263 O LEU A 18 4.604 -9.346 1.166 1.00 0.00 O ATOM 264 CB LEU A 18 3.037 -10.080 -1.480 1.00 0.00 C ATOM 265 CG LEU A 18 3.385 -11.559 -1.644 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.322 -11.939 -3.124 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.798 -11.811 -1.114 1.00 0.00 C ATOM 0 H LEU A 18 0.915 -9.038 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 18 2.526 -10.737 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.246 -9.803 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.903 -9.463 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 18 2.672 -12.163 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.570 -12.994 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.316 -11.759 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.035 -11.335 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.048 -12.866 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.510 -11.206 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.844 -11.542 -0.059 1.00 0.00 H new ATOM 279 N PHE A 19 3.301 -7.631 0.740 1.00 0.00 N ATOM 280 CA PHE A 19 4.236 -6.693 1.426 1.00 0.00 C ATOM 281 C PHE A 19 3.500 -5.921 2.524 1.00 0.00 C ATOM 282 O PHE A 19 4.045 -5.023 3.136 1.00 0.00 O ATOM 283 CB PHE A 19 4.720 -5.740 0.332 1.00 0.00 C ATOM 284 CG PHE A 19 5.100 -6.531 -0.896 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.122 -6.870 -1.839 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.428 -6.926 -1.094 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.472 -7.603 -2.979 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.779 -7.659 -2.234 1.00 0.00 C ATOM 289 CZ PHE A 19 5.799 -7.998 -3.177 1.00 0.00 C ATOM 0 H PHE A 19 2.463 -7.200 0.349 1.00 0.00 H new ATOM 0 HA PHE A 19 5.064 -7.215 1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.936 -5.023 0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.576 -5.167 0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.097 -6.566 -1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.183 -6.665 -0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.717 -7.864 -3.706 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.804 -7.963 -2.387 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.069 -8.564 -4.056 1.00 0.00 H new ATOM 299 N ASP A 20 2.266 -6.262 2.776 1.00 0.00 N ATOM 300 CA ASP A 20 1.496 -5.546 3.834 1.00 0.00 C ATOM 301 C ASP A 20 1.929 -6.029 5.222 1.00 0.00 C ATOM 302 O ASP A 20 1.548 -7.094 5.664 1.00 0.00 O ATOM 303 CB ASP A 20 0.034 -5.905 3.571 1.00 0.00 C ATOM 304 CG ASP A 20 -0.808 -5.548 4.798 1.00 0.00 C ATOM 305 OD1 ASP A 20 -0.314 -4.816 5.639 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.934 -6.014 4.874 1.00 0.00 O ATOM 0 H ASP A 20 1.757 -7.005 2.296 1.00 0.00 H new ATOM 0 HA ASP A 20 1.661 -4.469 3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.332 -5.367 2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.057 -6.969 3.352 1.00 0.00 H new ATOM 311 N LYS A 21 2.721 -5.253 5.910 1.00 0.00 N ATOM 312 CA LYS A 21 3.175 -5.669 7.268 1.00 0.00 C ATOM 313 C LYS A 21 1.979 -5.782 8.215 1.00 0.00 C ATOM 314 O LYS A 21 1.875 -6.709 8.992 1.00 0.00 O ATOM 315 CB LYS A 21 4.121 -4.556 7.726 1.00 0.00 C ATOM 316 CG LYS A 21 4.692 -4.906 9.101 1.00 0.00 C ATOM 317 CD LYS A 21 6.218 -4.975 9.017 1.00 0.00 C ATOM 318 CE LYS A 21 6.796 -3.558 9.060 1.00 0.00 C ATOM 319 NZ LYS A 21 8.122 -3.704 9.724 1.00 0.00 N ATOM 0 H LYS A 21 3.073 -4.350 5.591 1.00 0.00 H new ATOM 0 HA LYS A 21 3.664 -6.643 7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.929 -4.432 7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.587 -3.607 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.391 -4.157 9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.292 -5.862 9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.612 -5.565 9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.520 -5.475 8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.900 -3.143 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.147 -2.883 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.581 -2.773 9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.991 -4.095 10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.721 -4.346 9.166 1.00 0.00 H new ATOM 333 N ASP A 22 1.074 -4.842 8.158 1.00 0.00 N ATOM 334 CA ASP A 22 -0.115 -4.897 9.056 1.00 0.00 C ATOM 335 C ASP A 22 -0.932 -6.161 8.775 1.00 0.00 C ATOM 336 O ASP A 22 -1.737 -6.583 9.582 1.00 0.00 O ATOM 337 CB ASP A 22 -0.927 -3.647 8.714 1.00 0.00 C ATOM 338 CG ASP A 22 -1.207 -2.855 9.993 1.00 0.00 C ATOM 339 OD1 ASP A 22 -0.324 -2.130 10.422 1.00 0.00 O ATOM 340 OD2 ASP A 22 -2.299 -2.986 10.521 1.00 0.00 O ATOM 0 H ASP A 22 1.107 -4.040 7.529 1.00 0.00 H new ATOM 0 HA ASP A 22 0.164 -4.927 10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.380 -3.028 8.003 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.865 -3.929 8.236 1.00 0.00 H new ATOM 345 N ASN A 23 -0.731 -6.768 7.639 1.00 0.00 N ATOM 346 CA ASN A 23 -1.497 -8.005 7.308 1.00 0.00 C ATOM 347 C ASN A 23 -3.001 -7.733 7.389 1.00 0.00 C ATOM 348 O ASN A 23 -3.785 -8.610 7.696 1.00 0.00 O ATOM 349 CB ASN A 23 -1.078 -9.025 8.367 1.00 0.00 C ATOM 350 CG ASN A 23 0.232 -9.691 7.944 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.236 -10.818 7.489 1.00 0.00 O ATOM 352 ND2 ASN A 23 1.354 -9.038 8.077 1.00 0.00 N ATOM 0 H ASN A 23 -0.070 -6.462 6.925 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.293 -8.360 6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.953 -8.533 9.332 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.857 -9.777 8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.234 -9.473 7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.351 -8.092 8.459 1.00 0.00 H new ATOM 359 N ASN A 24 -3.411 -6.524 7.117 1.00 0.00 N ATOM 360 CA ASN A 24 -4.865 -6.198 7.179 1.00 0.00 C ATOM 361 C ASN A 24 -5.345 -5.665 5.826 1.00 0.00 C ATOM 362 O ASN A 24 -6.524 -5.661 5.533 1.00 0.00 O ATOM 363 CB ASN A 24 -4.981 -5.117 8.253 1.00 0.00 C ATOM 364 CG ASN A 24 -4.542 -5.687 9.602 1.00 0.00 C ATOM 365 OD1 ASN A 24 -4.664 -6.872 9.843 1.00 0.00 O ATOM 366 ND2 ASN A 24 -4.030 -4.889 10.500 1.00 0.00 N ATOM 0 H ASN A 24 -2.803 -5.748 6.855 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.476 -7.071 7.411 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.361 -4.260 7.990 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.009 -4.760 8.315 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.733 -5.260 11.402 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.927 -3.894 10.299 1.00 0.00 H new ATOM 373 N GLY A 25 -4.440 -5.215 5.000 1.00 0.00 N ATOM 374 CA GLY A 25 -4.846 -4.683 3.668 1.00 0.00 C ATOM 375 C GLY A 25 -4.231 -3.298 3.461 1.00 0.00 C ATOM 376 O GLY A 25 -4.830 -2.425 2.866 1.00 0.00 O ATOM 0 H GLY A 25 -3.438 -5.193 5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.518 -5.360 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.933 -4.623 3.605 1.00 0.00 H new ATOM 380 N SER A 26 -3.039 -3.089 3.948 1.00 0.00 N ATOM 381 CA SER A 26 -2.387 -1.760 3.778 1.00 0.00 C ATOM 382 C SER A 26 -0.869 -1.926 3.668 1.00 0.00 C ATOM 383 O SER A 26 -0.279 -2.772 4.308 1.00 0.00 O ATOM 384 CB SER A 26 -2.750 -0.977 5.040 1.00 0.00 C ATOM 385 OG SER A 26 -2.609 -1.822 6.173 1.00 0.00 O ATOM 0 H SER A 26 -2.488 -3.781 4.456 1.00 0.00 H new ATOM 0 HA SER A 26 -2.717 -1.251 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.104 -0.105 5.139 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.774 -0.609 4.972 1.00 0.00 H new ATOM 0 HG SER A 26 -2.839 -1.323 6.984 1.00 0.00 H new ATOM 391 N ILE A 27 -0.233 -1.122 2.859 1.00 0.00 N ATOM 392 CA ILE A 27 1.246 -1.236 2.708 1.00 0.00 C ATOM 393 C ILE A 27 1.876 0.156 2.604 1.00 0.00 C ATOM 394 O ILE A 27 1.216 1.123 2.280 1.00 0.00 O ATOM 395 CB ILE A 27 1.453 -2.014 1.408 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.136 -1.109 0.214 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.522 -3.228 1.384 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.345 -1.884 -1.087 1.00 0.00 C ATOM 0 H ILE A 27 -0.673 -0.393 2.297 1.00 0.00 H new ATOM 0 HA ILE A 27 1.710 -1.733 3.560 1.00 0.00 H new ATOM 0 HB ILE A 27 2.489 -2.348 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.107 -0.755 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.778 -0.228 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.670 -3.782 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.745 -3.875 2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.514 -2.894 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.119 -1.238 -1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.381 -2.216 -1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.684 -2.751 -1.104 1.00 0.00 H new ATOM 410 N SER A 28 3.147 0.263 2.874 1.00 0.00 N ATOM 411 CA SER A 28 3.818 1.592 2.785 1.00 0.00 C ATOM 412 C SER A 28 4.139 1.920 1.324 1.00 0.00 C ATOM 413 O SER A 28 4.368 1.040 0.519 1.00 0.00 O ATOM 414 CB SER A 28 5.103 1.444 3.598 1.00 0.00 C ATOM 415 OG SER A 28 5.313 2.624 4.362 1.00 0.00 O ATOM 0 H SER A 28 3.751 -0.511 3.152 1.00 0.00 H new ATOM 0 HA SER A 28 3.191 2.400 3.163 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.033 0.578 4.256 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.950 1.271 2.934 1.00 0.00 H new ATOM 0 HG SER A 28 6.250 2.900 4.287 1.00 0.00 H new ATOM 421 N SER A 29 4.156 3.177 0.976 1.00 0.00 N ATOM 422 CA SER A 29 4.461 3.553 -0.434 1.00 0.00 C ATOM 423 C SER A 29 5.633 2.721 -0.960 1.00 0.00 C ATOM 424 O SER A 29 5.531 2.058 -1.973 1.00 0.00 O ATOM 425 CB SER A 29 4.836 5.033 -0.377 1.00 0.00 C ATOM 426 OG SER A 29 5.973 5.262 -1.199 1.00 0.00 O ATOM 0 H SER A 29 3.972 3.959 1.605 1.00 0.00 H new ATOM 0 HA SER A 29 3.619 3.372 -1.102 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.000 5.645 -0.715 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.051 5.326 0.651 1.00 0.00 H new ATOM 0 HG SER A 29 5.760 5.945 -1.869 1.00 0.00 H new ATOM 432 N SER A 30 6.747 2.750 -0.282 1.00 0.00 N ATOM 433 CA SER A 30 7.923 1.959 -0.745 1.00 0.00 C ATOM 434 C SER A 30 7.484 0.545 -1.133 1.00 0.00 C ATOM 435 O SER A 30 8.033 -0.062 -2.032 1.00 0.00 O ATOM 436 CB SER A 30 8.870 1.917 0.452 1.00 0.00 C ATOM 437 OG SER A 30 10.213 1.916 -0.011 1.00 0.00 O ATOM 0 H SER A 30 6.894 3.287 0.573 1.00 0.00 H new ATOM 0 HA SER A 30 8.398 2.398 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.697 2.778 1.098 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.679 1.026 1.050 1.00 0.00 H new ATOM 0 HG SER A 30 10.823 1.891 0.755 1.00 0.00 H new ATOM 443 N GLU A 31 6.498 0.015 -0.463 1.00 0.00 N ATOM 444 CA GLU A 31 6.023 -1.360 -0.793 1.00 0.00 C ATOM 445 C GLU A 31 5.152 -1.329 -2.052 1.00 0.00 C ATOM 446 O GLU A 31 5.177 -2.238 -2.858 1.00 0.00 O ATOM 447 CB GLU A 31 5.202 -1.798 0.420 1.00 0.00 C ATOM 448 CG GLU A 31 6.034 -1.622 1.692 1.00 0.00 C ATOM 449 CD GLU A 31 6.627 -2.971 2.105 1.00 0.00 C ATOM 450 OE1 GLU A 31 7.681 -3.313 1.595 1.00 0.00 O ATOM 451 OE2 GLU A 31 6.015 -3.638 2.923 1.00 0.00 O ATOM 0 H GLU A 31 6.000 0.474 0.299 1.00 0.00 H new ATOM 0 HA GLU A 31 6.846 -2.045 -0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.288 -1.207 0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.901 -2.840 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.832 -0.899 1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.412 -1.225 2.494 1.00 0.00 H new ATOM 458 N LEU A 32 4.382 -0.290 -2.227 1.00 0.00 N ATOM 459 CA LEU A 32 3.511 -0.205 -3.434 1.00 0.00 C ATOM 460 C LEU A 32 4.359 -0.337 -4.702 1.00 0.00 C ATOM 461 O LEU A 32 3.956 -0.953 -5.668 1.00 0.00 O ATOM 462 CB LEU A 32 2.863 1.178 -3.362 1.00 0.00 C ATOM 463 CG LEU A 32 2.120 1.462 -4.669 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.077 0.371 -4.912 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.423 2.820 -4.573 1.00 0.00 C ATOM 0 H LEU A 32 4.318 0.502 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 32 2.765 -1.000 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.171 1.224 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.624 1.939 -3.191 1.00 0.00 H new ATOM 0 HG LEU A 32 2.831 1.474 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.548 0.574 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.573 -0.597 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.366 0.357 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.893 3.024 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.713 2.807 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.166 3.599 -4.400 1.00 0.00 H new ATOM 477 N ALA A 33 5.532 0.235 -4.705 1.00 0.00 N ATOM 478 CA ALA A 33 6.404 0.135 -5.910 1.00 0.00 C ATOM 479 C ALA A 33 6.675 -1.336 -6.234 1.00 0.00 C ATOM 480 O ALA A 33 6.615 -1.753 -7.374 1.00 0.00 O ATOM 481 CB ALA A 33 7.700 0.848 -5.524 1.00 0.00 C ATOM 0 H ALA A 33 5.924 0.766 -3.927 1.00 0.00 H new ATOM 0 HA ALA A 33 5.946 0.580 -6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.396 0.817 -6.362 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.483 1.886 -5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.147 0.350 -4.663 1.00 0.00 H new ATOM 487 N THR A 34 6.965 -2.128 -5.238 1.00 0.00 N ATOM 488 CA THR A 34 7.232 -3.571 -5.491 1.00 0.00 C ATOM 489 C THR A 34 5.983 -4.237 -6.073 1.00 0.00 C ATOM 490 O THR A 34 5.975 -4.680 -7.205 1.00 0.00 O ATOM 491 CB THR A 34 7.565 -4.163 -4.120 1.00 0.00 C ATOM 492 OG1 THR A 34 8.835 -3.686 -3.697 1.00 0.00 O ATOM 493 CG2 THR A 34 7.595 -5.688 -4.220 1.00 0.00 C ATOM 0 H THR A 34 7.028 -1.838 -4.262 1.00 0.00 H new ATOM 0 HA THR A 34 8.042 -3.724 -6.205 1.00 0.00 H new ATOM 0 HB THR A 34 6.807 -3.863 -3.397 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.050 -4.063 -2.818 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.832 -6.112 -3.244 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.620 -6.050 -4.546 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.354 -5.990 -4.941 1.00 0.00 H new ATOM 501 N VAL A 35 4.925 -4.306 -5.311 1.00 0.00 N ATOM 502 CA VAL A 35 3.678 -4.936 -5.829 1.00 0.00 C ATOM 503 C VAL A 35 3.408 -4.447 -7.255 1.00 0.00 C ATOM 504 O VAL A 35 2.881 -5.164 -8.083 1.00 0.00 O ATOM 505 CB VAL A 35 2.571 -4.466 -4.885 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.857 -4.968 -3.469 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.521 -2.937 -4.880 1.00 0.00 C ATOM 0 H VAL A 35 4.871 -3.954 -4.355 1.00 0.00 H new ATOM 0 HA VAL A 35 3.744 -6.023 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 35 1.614 -4.862 -5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.067 -4.632 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.894 -6.057 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.814 -4.573 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.732 -2.601 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.479 -2.543 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.316 -2.576 -5.888 1.00 0.00 H new ATOM 517 N MET A 36 3.771 -3.226 -7.541 1.00 0.00 N ATOM 518 CA MET A 36 3.545 -2.674 -8.907 1.00 0.00 C ATOM 519 C MET A 36 4.280 -3.515 -9.953 1.00 0.00 C ATOM 520 O MET A 36 3.676 -4.092 -10.835 1.00 0.00 O ATOM 521 CB MET A 36 4.117 -1.256 -8.854 1.00 0.00 C ATOM 522 CG MET A 36 3.545 -0.428 -10.006 1.00 0.00 C ATOM 523 SD MET A 36 1.742 -0.355 -9.862 1.00 0.00 S ATOM 524 CE MET A 36 1.639 1.295 -9.125 1.00 0.00 C ATOM 0 H MET A 36 4.216 -2.585 -6.884 1.00 0.00 H new ATOM 0 HA MET A 36 2.492 -2.681 -9.187 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.871 -0.789 -7.900 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.204 -1.289 -8.922 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.963 0.579 -9.987 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.826 -0.872 -10.961 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.732 1.369 -8.525 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.509 1.465 -8.491 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.614 2.045 -9.915 1.00 0.00 H new ATOM 534 N ARG A 37 5.581 -3.588 -9.866 1.00 0.00 N ATOM 535 CA ARG A 37 6.351 -4.391 -10.860 1.00 0.00 C ATOM 536 C ARG A 37 6.100 -5.887 -10.649 1.00 0.00 C ATOM 537 O ARG A 37 6.340 -6.696 -11.524 1.00 0.00 O ATOM 538 CB ARG A 37 7.817 -4.050 -10.592 1.00 0.00 C ATOM 539 CG ARG A 37 8.697 -4.698 -11.663 1.00 0.00 C ATOM 540 CD ARG A 37 10.056 -5.058 -11.058 1.00 0.00 C ATOM 541 NE ARG A 37 11.019 -4.114 -11.691 1.00 0.00 N ATOM 542 CZ ARG A 37 11.777 -4.516 -12.673 1.00 0.00 C ATOM 543 NH1 ARG A 37 11.431 -5.558 -13.380 1.00 0.00 N ATOM 544 NH2 ARG A 37 12.881 -3.877 -12.950 1.00 0.00 N ATOM 0 H ARG A 37 6.143 -3.127 -9.151 1.00 0.00 H new ATOM 0 HA ARG A 37 6.059 -4.165 -11.886 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.957 -2.969 -10.597 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.109 -4.404 -9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.213 -5.593 -12.054 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.830 -4.015 -12.502 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.048 -4.946 -9.974 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.321 -6.094 -11.270 1.00 0.00 H new ATOM 0 HE ARG A 37 11.085 -3.153 -11.356 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.568 -6.057 -13.164 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.024 -5.873 -14.148 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.151 -3.063 -12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.474 -4.192 -13.718 1.00 0.00 H new ATOM 558 N SER A 38 5.624 -6.263 -9.494 1.00 0.00 N ATOM 559 CA SER A 38 5.364 -7.707 -9.225 1.00 0.00 C ATOM 560 C SER A 38 4.181 -8.203 -10.060 1.00 0.00 C ATOM 561 O SER A 38 4.133 -9.349 -10.463 1.00 0.00 O ATOM 562 CB SER A 38 5.036 -7.780 -7.734 1.00 0.00 C ATOM 563 OG SER A 38 6.052 -7.112 -6.997 1.00 0.00 O ATOM 0 H SER A 38 5.403 -5.632 -8.723 1.00 0.00 H new ATOM 0 HA SER A 38 6.217 -8.333 -9.487 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.067 -7.320 -7.540 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.964 -8.820 -7.416 1.00 0.00 H new ATOM 0 HG SER A 38 6.211 -6.227 -7.387 1.00 0.00 H new ATOM 569 N LEU A 39 3.224 -7.356 -10.320 1.00 0.00 N ATOM 570 CA LEU A 39 2.047 -7.793 -11.127 1.00 0.00 C ATOM 571 C LEU A 39 2.482 -8.137 -12.553 1.00 0.00 C ATOM 572 O LEU A 39 1.882 -8.965 -13.211 1.00 0.00 O ATOM 573 CB LEU A 39 1.092 -6.596 -11.131 1.00 0.00 C ATOM 574 CG LEU A 39 0.286 -6.571 -9.829 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.803 -5.501 -9.924 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.367 -7.937 -9.604 1.00 0.00 C ATOM 0 H LEU A 39 3.204 -6.384 -10.011 1.00 0.00 H new ATOM 0 HA LEU A 39 1.576 -8.685 -10.714 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.656 -5.669 -11.238 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.418 -6.660 -11.985 1.00 0.00 H new ATOM 0 HG LEU A 39 0.952 -6.343 -8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.377 -5.483 -8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.342 -4.526 -10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.467 -5.730 -10.758 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.940 -7.918 -8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.032 -8.164 -10.437 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.406 -8.703 -9.537 1.00 0.00 H new ATOM 588 N GLY A 40 3.520 -7.514 -13.039 1.00 0.00 N ATOM 589 CA GLY A 40 3.987 -7.814 -14.423 1.00 0.00 C ATOM 590 C GLY A 40 4.320 -6.509 -15.150 1.00 0.00 C ATOM 591 O GLY A 40 4.086 -6.371 -16.334 1.00 0.00 O ATOM 0 H GLY A 40 4.065 -6.811 -12.539 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.866 -8.457 -14.389 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.215 -8.358 -14.968 1.00 0.00 H new ATOM 595 N LEU A 41 4.867 -5.552 -14.453 1.00 0.00 N ATOM 596 CA LEU A 41 5.217 -4.258 -15.109 1.00 0.00 C ATOM 597 C LEU A 41 6.515 -3.703 -14.518 1.00 0.00 C ATOM 598 O LEU A 41 7.137 -4.317 -13.676 1.00 0.00 O ATOM 599 CB LEU A 41 4.042 -3.324 -14.808 1.00 0.00 C ATOM 600 CG LEU A 41 3.625 -3.477 -13.345 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.139 -2.129 -12.809 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.493 -4.502 -13.242 1.00 0.00 C ATOM 0 H LEU A 41 5.087 -5.608 -13.459 1.00 0.00 H new ATOM 0 HA LEU A 41 5.378 -4.369 -16.181 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.325 -2.291 -15.010 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.202 -3.558 -15.462 1.00 0.00 H new ATOM 0 HG LEU A 41 4.479 -3.816 -12.758 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.842 -2.238 -11.766 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.943 -1.397 -12.882 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.285 -1.790 -13.396 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.195 -4.612 -12.199 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.640 -4.162 -13.829 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.837 -5.463 -13.624 1.00 0.00 H new ATOM 614 N SER A 42 6.931 -2.545 -14.956 1.00 0.00 N ATOM 615 CA SER A 42 8.191 -1.955 -14.419 1.00 0.00 C ATOM 616 C SER A 42 8.262 -0.463 -14.754 1.00 0.00 C ATOM 617 O SER A 42 8.836 -0.077 -15.753 1.00 0.00 O ATOM 618 CB SER A 42 9.317 -2.714 -15.120 1.00 0.00 C ATOM 619 OG SER A 42 8.802 -3.918 -15.673 1.00 0.00 O ATOM 0 H SER A 42 6.454 -1.983 -15.661 1.00 0.00 H new ATOM 0 HA SER A 42 8.255 -2.041 -13.334 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.752 -2.097 -15.906 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.115 -2.938 -14.412 1.00 0.00 H new ATOM 0 HG SER A 42 8.876 -4.639 -15.013 1.00 0.00 H new ATOM 625 N PRO A 43 7.674 0.327 -13.898 1.00 0.00 N ATOM 626 CA PRO A 43 7.667 1.798 -14.095 1.00 0.00 C ATOM 627 C PRO A 43 9.063 2.377 -13.844 1.00 0.00 C ATOM 628 O PRO A 43 10.054 1.675 -13.898 1.00 0.00 O ATOM 629 CB PRO A 43 6.674 2.293 -13.047 1.00 0.00 C ATOM 630 CG PRO A 43 6.670 1.237 -11.989 1.00 0.00 C ATOM 631 CD PRO A 43 6.967 -0.071 -12.677 1.00 0.00 C ATOM 0 HA PRO A 43 7.394 2.095 -15.107 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.977 3.258 -12.641 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.681 2.426 -13.476 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.419 1.451 -11.226 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.704 1.198 -11.485 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.581 -0.720 -12.053 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.053 -0.619 -12.905 1.00 0.00 H new ATOM 639 N SER A 44 9.150 3.649 -13.569 1.00 0.00 N ATOM 640 CA SER A 44 10.484 4.267 -13.315 1.00 0.00 C ATOM 641 C SER A 44 10.373 5.338 -12.228 1.00 0.00 C ATOM 642 O SER A 44 9.330 5.529 -11.635 1.00 0.00 O ATOM 643 CB SER A 44 10.888 4.897 -14.648 1.00 0.00 C ATOM 644 OG SER A 44 11.919 5.849 -14.423 1.00 0.00 O ATOM 0 H SER A 44 8.357 4.287 -13.509 1.00 0.00 H new ATOM 0 HA SER A 44 11.217 3.539 -12.969 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.232 4.127 -15.338 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.027 5.379 -15.112 1.00 0.00 H new ATOM 0 HG SER A 44 12.182 6.254 -15.276 1.00 0.00 H new ATOM 650 N GLU A 45 11.442 6.038 -11.961 1.00 0.00 N ATOM 651 CA GLU A 45 11.398 7.096 -10.911 1.00 0.00 C ATOM 652 C GLU A 45 10.247 8.067 -11.190 1.00 0.00 C ATOM 653 O GLU A 45 9.373 8.261 -10.369 1.00 0.00 O ATOM 654 CB GLU A 45 12.743 7.814 -11.014 1.00 0.00 C ATOM 655 CG GLU A 45 13.676 7.310 -9.912 1.00 0.00 C ATOM 656 CD GLU A 45 13.736 5.782 -9.951 1.00 0.00 C ATOM 657 OE1 GLU A 45 12.748 5.161 -9.593 1.00 0.00 O ATOM 658 OE2 GLU A 45 14.768 5.259 -10.339 1.00 0.00 O ATOM 0 H GLU A 45 12.344 5.923 -12.424 1.00 0.00 H new ATOM 0 HA GLU A 45 11.233 6.684 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.189 7.635 -11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.601 8.891 -10.920 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.674 7.727 -10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.320 7.645 -8.938 1.00 0.00 H new ATOM 665 N ALA A 46 10.241 8.679 -12.344 1.00 0.00 N ATOM 666 CA ALA A 46 9.146 9.635 -12.672 1.00 0.00 C ATOM 667 C ALA A 46 7.789 9.027 -12.307 1.00 0.00 C ATOM 668 O ALA A 46 6.997 9.627 -11.608 1.00 0.00 O ATOM 669 CB ALA A 46 9.247 9.850 -14.183 1.00 0.00 C ATOM 0 H ALA A 46 10.946 8.558 -13.072 1.00 0.00 H new ATOM 0 HA ALA A 46 9.235 10.571 -12.120 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.471 10.545 -14.504 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.226 10.261 -14.427 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.116 8.897 -14.696 1.00 0.00 H new ATOM 675 N GLU A 47 7.517 7.838 -12.772 1.00 0.00 N ATOM 676 CA GLU A 47 6.213 7.192 -12.448 1.00 0.00 C ATOM 677 C GLU A 47 5.993 7.181 -10.933 1.00 0.00 C ATOM 678 O GLU A 47 4.888 7.339 -10.454 1.00 0.00 O ATOM 679 CB GLU A 47 6.335 5.765 -12.983 1.00 0.00 C ATOM 680 CG GLU A 47 4.974 5.070 -12.902 1.00 0.00 C ATOM 681 CD GLU A 47 4.671 4.382 -14.233 1.00 0.00 C ATOM 682 OE1 GLU A 47 5.570 4.300 -15.054 1.00 0.00 O ATOM 683 OE2 GLU A 47 3.546 3.946 -14.410 1.00 0.00 O ATOM 0 H GLU A 47 8.140 7.287 -13.362 1.00 0.00 H new ATOM 0 HA GLU A 47 5.368 7.721 -12.888 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.686 5.781 -14.015 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.073 5.210 -12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.975 4.338 -12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.196 5.797 -12.671 1.00 0.00 H new ATOM 690 N VAL A 48 7.039 6.998 -10.175 1.00 0.00 N ATOM 691 CA VAL A 48 6.892 6.979 -8.692 1.00 0.00 C ATOM 692 C VAL A 48 6.555 8.382 -8.178 1.00 0.00 C ATOM 693 O VAL A 48 5.590 8.576 -7.465 1.00 0.00 O ATOM 694 CB VAL A 48 8.254 6.528 -8.162 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.121 6.119 -6.695 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.749 5.333 -8.981 1.00 0.00 C ATOM 0 H VAL A 48 7.990 6.861 -10.519 1.00 0.00 H new ATOM 0 HA VAL A 48 6.089 6.318 -8.365 1.00 0.00 H new ATOM 0 HB VAL A 48 8.967 7.348 -8.247 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.092 5.798 -6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.768 6.969 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.409 5.299 -6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.720 5.011 -8.604 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.036 4.513 -8.896 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.844 5.623 -10.027 1.00 0.00 H new ATOM 706 N ASN A 49 7.341 9.359 -8.534 1.00 0.00 N ATOM 707 CA ASN A 49 7.065 10.748 -8.066 1.00 0.00 C ATOM 708 C ASN A 49 5.570 11.057 -8.185 1.00 0.00 C ATOM 709 O ASN A 49 4.966 11.605 -7.284 1.00 0.00 O ATOM 710 CB ASN A 49 7.875 11.649 -9.000 1.00 0.00 C ATOM 711 CG ASN A 49 7.954 13.058 -8.409 1.00 0.00 C ATOM 712 OD1 ASN A 49 6.944 13.655 -8.096 1.00 0.00 O ATOM 713 ND2 ASN A 49 9.121 13.618 -8.243 1.00 0.00 N ATOM 0 H ASN A 49 8.163 9.257 -9.129 1.00 0.00 H new ATOM 0 HA ASN A 49 7.338 10.895 -7.021 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.878 11.243 -9.135 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.409 11.682 -9.985 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.185 14.557 -7.850 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.969 13.116 -8.506 1.00 0.00 H new ATOM 720 N ASP A 50 4.969 10.709 -9.290 1.00 0.00 N ATOM 721 CA ASP A 50 3.513 10.982 -9.464 1.00 0.00 C ATOM 722 C ASP A 50 2.688 10.016 -8.610 1.00 0.00 C ATOM 723 O ASP A 50 1.837 10.420 -7.843 1.00 0.00 O ATOM 724 CB ASP A 50 3.241 10.751 -10.950 1.00 0.00 C ATOM 725 CG ASP A 50 2.139 11.700 -11.422 1.00 0.00 C ATOM 726 OD1 ASP A 50 2.361 12.899 -11.384 1.00 0.00 O ATOM 727 OD2 ASP A 50 1.091 11.212 -11.813 1.00 0.00 O ATOM 0 H ASP A 50 5.422 10.248 -10.079 1.00 0.00 H new ATOM 0 HA ASP A 50 3.242 11.991 -9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.151 10.918 -11.527 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.942 9.717 -11.119 1.00 0.00 H new ATOM 732 N LEU A 51 2.934 8.740 -8.736 1.00 0.00 N ATOM 733 CA LEU A 51 2.164 7.748 -7.932 1.00 0.00 C ATOM 734 C LEU A 51 2.210 8.123 -6.447 1.00 0.00 C ATOM 735 O LEU A 51 1.283 7.873 -5.705 1.00 0.00 O ATOM 736 CB LEU A 51 2.869 6.412 -8.170 1.00 0.00 C ATOM 737 CG LEU A 51 2.517 5.892 -9.565 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.381 4.672 -9.888 1.00 0.00 C ATOM 739 CD2 LEU A 51 1.039 5.494 -9.602 1.00 0.00 C ATOM 0 H LEU A 51 3.635 8.342 -9.361 1.00 0.00 H new ATOM 0 HA LEU A 51 1.113 7.710 -8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.948 6.536 -8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.566 5.689 -7.413 1.00 0.00 H new ATOM 0 HG LEU A 51 2.702 6.674 -10.302 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.130 4.301 -10.882 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.434 4.954 -9.861 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.196 3.890 -9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.787 5.123 -10.596 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.854 4.712 -8.865 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.422 6.363 -9.372 1.00 0.00 H new ATOM 751 N MET A 52 3.285 8.720 -6.010 1.00 0.00 N ATOM 752 CA MET A 52 3.391 9.110 -4.575 1.00 0.00 C ATOM 753 C MET A 52 2.789 10.501 -4.359 1.00 0.00 C ATOM 754 O MET A 52 2.116 10.752 -3.378 1.00 0.00 O ATOM 755 CB MET A 52 4.889 9.122 -4.276 1.00 0.00 C ATOM 756 CG MET A 52 5.423 7.688 -4.279 1.00 0.00 C ATOM 757 SD MET A 52 4.540 6.713 -3.036 1.00 0.00 S ATOM 758 CE MET A 52 3.416 5.863 -4.172 1.00 0.00 C ATOM 0 H MET A 52 4.095 8.955 -6.584 1.00 0.00 H new ATOM 0 HA MET A 52 2.851 8.425 -3.921 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.414 9.718 -5.022 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.073 9.588 -3.308 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.294 7.242 -5.265 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.492 7.686 -4.066 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.387 6.129 -3.932 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.639 6.162 -5.196 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.545 4.785 -4.073 1.00 0.00 H new ATOM 768 N ASN A 53 3.023 11.407 -5.268 1.00 0.00 N ATOM 769 CA ASN A 53 2.464 12.781 -5.114 1.00 0.00 C ATOM 770 C ASN A 53 0.934 12.734 -5.142 1.00 0.00 C ATOM 771 O ASN A 53 0.268 13.700 -4.824 1.00 0.00 O ATOM 772 CB ASN A 53 2.999 13.563 -6.313 1.00 0.00 C ATOM 773 CG ASN A 53 4.209 14.394 -5.883 1.00 0.00 C ATOM 774 OD1 ASN A 53 5.311 14.166 -6.339 1.00 0.00 O ATOM 775 ND2 ASN A 53 4.048 15.357 -5.015 1.00 0.00 N ATOM 0 H ASN A 53 3.577 11.256 -6.111 1.00 0.00 H new ATOM 0 HA ASN A 53 2.750 13.241 -4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.281 12.877 -7.111 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.221 14.214 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.848 15.917 -4.721 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.122 15.549 -4.632 1.00 0.00 H new ATOM 782 N GLU A 54 0.372 11.619 -5.521 1.00 0.00 N ATOM 783 CA GLU A 54 -1.115 11.512 -5.569 1.00 0.00 C ATOM 784 C GLU A 54 -1.630 10.730 -4.357 1.00 0.00 C ATOM 785 O GLU A 54 -2.809 10.468 -4.230 1.00 0.00 O ATOM 786 CB GLU A 54 -1.416 10.755 -6.863 1.00 0.00 C ATOM 787 CG GLU A 54 -2.750 11.235 -7.438 1.00 0.00 C ATOM 788 CD GLU A 54 -3.675 10.037 -7.653 1.00 0.00 C ATOM 789 OE1 GLU A 54 -3.252 9.096 -8.305 1.00 0.00 O ATOM 790 OE2 GLU A 54 -4.791 10.079 -7.162 1.00 0.00 O ATOM 0 H GLU A 54 0.877 10.778 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.600 12.488 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.617 10.918 -7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.456 9.683 -6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.215 11.949 -6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.585 11.754 -8.382 1.00 0.00 H new ATOM 797 N ILE A 55 -0.753 10.356 -3.465 1.00 0.00 N ATOM 798 CA ILE A 55 -1.194 9.592 -2.262 1.00 0.00 C ATOM 799 C ILE A 55 -0.123 9.660 -1.171 1.00 0.00 C ATOM 800 O ILE A 55 -0.420 9.844 -0.006 1.00 0.00 O ATOM 801 CB ILE A 55 -1.372 8.155 -2.750 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.952 7.302 -1.619 1.00 0.00 C ATOM 803 CG2 ILE A 55 -0.017 7.586 -3.172 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.867 5.823 -1.999 1.00 0.00 C ATOM 0 H ILE A 55 0.248 10.546 -3.517 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.111 9.993 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.052 8.143 -3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.403 7.483 -0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.989 7.582 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.145 6.561 -3.520 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.398 8.193 -3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.664 7.598 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.280 5.216 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.435 5.649 -2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.825 5.549 -2.162 1.00 0.00 H new ATOM 816 N ASP A 56 1.121 9.514 -1.536 1.00 0.00 N ATOM 817 CA ASP A 56 2.210 9.571 -0.518 1.00 0.00 C ATOM 818 C ASP A 56 1.957 10.719 0.462 1.00 0.00 C ATOM 819 O ASP A 56 1.840 10.516 1.654 1.00 0.00 O ATOM 820 CB ASP A 56 3.488 9.820 -1.319 1.00 0.00 C ATOM 821 CG ASP A 56 4.700 9.715 -0.391 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.560 9.131 0.670 1.00 0.00 O ATOM 823 OD2 ASP A 56 5.747 10.222 -0.759 1.00 0.00 O ATOM 0 H ASP A 56 1.431 9.358 -2.495 1.00 0.00 H new ATOM 0 HA ASP A 56 2.272 8.657 0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.571 9.093 -2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.454 10.807 -1.780 1.00 0.00 H new ATOM 828 N VAL A 57 1.873 11.924 -0.031 1.00 0.00 N ATOM 829 CA VAL A 57 1.628 13.085 0.874 1.00 0.00 C ATOM 830 C VAL A 57 2.696 13.133 1.971 1.00 0.00 C ATOM 831 O VAL A 57 3.690 13.822 1.853 1.00 0.00 O ATOM 832 CB VAL A 57 0.249 12.830 1.479 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.029 13.864 2.572 1.00 0.00 C ATOM 834 CG2 VAL A 57 -0.815 12.948 0.386 1.00 0.00 C ATOM 0 H VAL A 57 1.963 12.156 -1.020 1.00 0.00 H new ATOM 0 HA VAL A 57 1.671 14.038 0.346 1.00 0.00 H new ATOM 0 HB VAL A 57 0.221 11.829 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.013 13.682 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.729 13.783 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.001 14.865 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.800 12.766 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.786 13.949 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.618 12.213 -0.394 1.00 0.00 H new ATOM 844 N ASP A 58 2.498 12.408 3.037 1.00 0.00 N ATOM 845 CA ASP A 58 3.502 12.413 4.140 1.00 0.00 C ATOM 846 C ASP A 58 4.729 11.588 3.742 1.00 0.00 C ATOM 847 O ASP A 58 4.908 11.241 2.591 1.00 0.00 O ATOM 848 CB ASP A 58 2.787 11.772 5.330 1.00 0.00 C ATOM 849 CG ASP A 58 2.804 12.736 6.517 1.00 0.00 C ATOM 850 OD1 ASP A 58 2.281 13.830 6.373 1.00 0.00 O ATOM 851 OD2 ASP A 58 3.338 12.366 7.549 1.00 0.00 O ATOM 0 H ASP A 58 1.685 11.812 3.193 1.00 0.00 H new ATOM 0 HA ASP A 58 3.857 13.417 4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.759 11.528 5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.277 10.837 5.601 1.00 0.00 H new ATOM 856 N GLY A 59 5.573 11.272 4.685 1.00 0.00 N ATOM 857 CA GLY A 59 6.787 10.470 4.359 1.00 0.00 C ATOM 858 C GLY A 59 6.396 9.003 4.174 1.00 0.00 C ATOM 859 O GLY A 59 6.349 8.498 3.070 1.00 0.00 O ATOM 0 H GLY A 59 5.475 11.534 5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.254 10.850 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.523 10.563 5.158 1.00 0.00 H new ATOM 863 N ASN A 60 6.117 8.315 5.247 1.00 0.00 N ATOM 864 CA ASN A 60 5.728 6.880 5.131 1.00 0.00 C ATOM 865 C ASN A 60 4.254 6.699 5.502 1.00 0.00 C ATOM 866 O ASN A 60 3.917 6.432 6.638 1.00 0.00 O ATOM 867 CB ASN A 60 6.625 6.145 6.128 1.00 0.00 C ATOM 868 CG ASN A 60 7.827 5.549 5.393 1.00 0.00 C ATOM 869 OD1 ASN A 60 7.770 4.433 4.918 1.00 0.00 O ATOM 870 ND2 ASN A 60 8.920 6.254 5.277 1.00 0.00 N ATOM 0 H ASN A 60 6.141 8.683 6.198 1.00 0.00 H new ATOM 0 HA ASN A 60 5.849 6.501 4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.964 6.832 6.903 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.062 5.355 6.626 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.727 5.867 4.787 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.967 7.191 5.676 1.00 0.00 H new ATOM 877 N HIS A 61 3.371 6.842 4.550 1.00 0.00 N ATOM 878 CA HIS A 61 1.919 6.680 4.849 1.00 0.00 C ATOM 879 C HIS A 61 1.505 5.215 4.677 1.00 0.00 C ATOM 880 O HIS A 61 2.249 4.407 4.156 1.00 0.00 O ATOM 881 CB HIS A 61 1.204 7.563 3.827 1.00 0.00 C ATOM 882 CG HIS A 61 1.298 6.933 2.464 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.219 5.939 2.172 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.594 7.144 1.305 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.046 5.592 0.884 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.067 6.296 0.308 1.00 0.00 N ATOM 0 H HIS A 61 3.592 7.064 3.579 1.00 0.00 H new ATOM 0 HA HIS A 61 1.673 6.961 5.873 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.159 7.690 4.109 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.653 8.556 3.812 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.903 5.543 2.816 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.206 7.860 1.185 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.628 4.836 0.377 1.00 0.00 H new ATOM 894 N GLN A 62 0.324 4.868 5.110 1.00 0.00 N ATOM 895 CA GLN A 62 -0.136 3.457 4.970 1.00 0.00 C ATOM 896 C GLN A 62 -1.103 3.332 3.790 1.00 0.00 C ATOM 897 O GLN A 62 -2.254 3.715 3.874 1.00 0.00 O ATOM 898 CB GLN A 62 -0.851 3.142 6.284 1.00 0.00 C ATOM 899 CG GLN A 62 -1.933 4.192 6.543 1.00 0.00 C ATOM 900 CD GLN A 62 -1.523 5.068 7.728 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.212 4.566 8.791 1.00 0.00 O ATOM 902 NE2 GLN A 62 -1.508 6.365 7.590 1.00 0.00 N ATOM 0 H GLN A 62 -0.342 5.500 5.554 1.00 0.00 H new ATOM 0 HA GLN A 62 0.689 2.770 4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.297 2.149 6.238 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.135 3.132 7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.077 4.808 5.655 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.885 3.704 6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.769 6.786 6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.235 6.958 8.374 1.00 0.00 H new ATOM 911 N ILE A 63 -0.645 2.801 2.689 1.00 0.00 N ATOM 912 CA ILE A 63 -1.538 2.655 1.504 1.00 0.00 C ATOM 913 C ILE A 63 -2.599 1.583 1.770 1.00 0.00 C ATOM 914 O ILE A 63 -2.503 0.820 2.710 1.00 0.00 O ATOM 915 CB ILE A 63 -0.615 2.222 0.365 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.403 3.330 0.087 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.445 1.965 -0.895 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.305 2.913 -1.077 1.00 0.00 C ATOM 0 H ILE A 63 0.308 2.462 2.559 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.070 3.578 1.271 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.092 1.309 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.112 4.260 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.003 3.519 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.787 1.656 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.172 1.177 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.968 2.878 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.031 3.702 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.830 1.993 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.697 2.746 -1.967 1.00 0.00 H new ATOM 930 N GLU A 64 -3.610 1.521 0.947 1.00 0.00 N ATOM 931 CA GLU A 64 -4.676 0.499 1.153 1.00 0.00 C ATOM 932 C GLU A 64 -4.932 -0.263 -0.150 1.00 0.00 C ATOM 933 O GLU A 64 -5.138 0.325 -1.194 1.00 0.00 O ATOM 934 CB GLU A 64 -5.916 1.296 1.560 1.00 0.00 C ATOM 935 CG GLU A 64 -6.334 0.900 2.978 1.00 0.00 C ATOM 936 CD GLU A 64 -7.758 0.342 2.952 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.105 -0.300 1.975 1.00 0.00 O ATOM 938 OE2 GLU A 64 -8.478 0.567 3.911 1.00 0.00 O ATOM 0 H GLU A 64 -3.744 2.133 0.142 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.402 -0.240 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.705 2.365 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.731 1.103 0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.647 0.154 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.283 1.765 3.639 1.00 0.00 H new ATOM 945 N PHE A 65 -4.921 -1.566 -0.099 1.00 0.00 N ATOM 946 CA PHE A 65 -5.164 -2.362 -1.336 1.00 0.00 C ATOM 947 C PHE A 65 -6.321 -1.757 -2.136 1.00 0.00 C ATOM 948 O PHE A 65 -6.330 -1.785 -3.351 1.00 0.00 O ATOM 949 CB PHE A 65 -5.528 -3.762 -0.842 1.00 0.00 C ATOM 950 CG PHE A 65 -5.698 -4.685 -2.026 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.675 -4.803 -2.973 1.00 0.00 C ATOM 952 CD2 PHE A 65 -6.880 -5.420 -2.174 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.833 -5.658 -4.071 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.039 -6.276 -3.271 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.015 -6.394 -4.220 1.00 0.00 C ATOM 0 H PHE A 65 -4.754 -2.114 0.745 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.296 -2.376 -1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.748 -4.140 -0.181 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.449 -3.726 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.764 -4.235 -2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.669 -5.327 -1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.044 -5.750 -4.802 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.950 -6.845 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.137 -7.053 -5.067 1.00 0.00 H new ATOM 965 N SER A 66 -7.296 -1.210 -1.465 1.00 0.00 N ATOM 966 CA SER A 66 -8.451 -0.603 -2.187 1.00 0.00 C ATOM 967 C SER A 66 -7.984 0.595 -3.019 1.00 0.00 C ATOM 968 O SER A 66 -7.746 0.485 -4.205 1.00 0.00 O ATOM 969 CB SER A 66 -9.413 -0.152 -1.089 1.00 0.00 C ATOM 970 OG SER A 66 -10.574 -0.971 -1.117 1.00 0.00 O ATOM 0 H SER A 66 -7.344 -1.157 -0.448 1.00 0.00 H new ATOM 0 HA SER A 66 -8.921 -1.304 -2.877 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.929 -0.220 -0.115 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.687 0.893 -1.236 1.00 0.00 H new ATOM 0 HG SER A 66 -11.193 -0.686 -0.413 1.00 0.00 H new ATOM 976 N GLU A 67 -7.849 1.739 -2.405 1.00 0.00 N ATOM 977 CA GLU A 67 -7.397 2.942 -3.161 1.00 0.00 C ATOM 978 C GLU A 67 -6.216 2.582 -4.067 1.00 0.00 C ATOM 979 O GLU A 67 -6.084 3.091 -5.163 1.00 0.00 O ATOM 980 CB GLU A 67 -6.967 3.946 -2.091 1.00 0.00 C ATOM 981 CG GLU A 67 -5.970 3.284 -1.138 1.00 0.00 C ATOM 982 CD GLU A 67 -4.547 3.685 -1.529 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.283 3.775 -2.717 1.00 0.00 O ATOM 984 OE2 GLU A 67 -3.745 3.896 -0.634 1.00 0.00 O ATOM 0 H GLU A 67 -8.032 1.893 -1.413 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.180 3.345 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.513 4.820 -2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.837 4.297 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.176 3.587 -0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.078 2.200 -1.178 1.00 0.00 H new ATOM 991 N PHE A 68 -5.357 1.707 -3.620 1.00 0.00 N ATOM 992 CA PHE A 68 -4.187 1.314 -4.457 1.00 0.00 C ATOM 993 C PHE A 68 -4.652 0.944 -5.869 1.00 0.00 C ATOM 994 O PHE A 68 -4.250 1.548 -6.843 1.00 0.00 O ATOM 995 CB PHE A 68 -3.586 0.099 -3.749 1.00 0.00 C ATOM 996 CG PHE A 68 -2.663 -0.636 -4.693 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.987 0.065 -5.699 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.482 -2.018 -4.561 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.134 -0.616 -6.575 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.628 -2.699 -5.437 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.954 -1.998 -6.444 1.00 0.00 C ATOM 0 H PHE A 68 -5.414 1.247 -2.711 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.461 2.120 -4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.037 0.417 -2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.380 -0.566 -3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.124 1.132 -5.799 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.001 -2.559 -3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.615 -0.075 -7.352 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.489 -3.765 -5.336 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.295 -2.523 -7.120 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.492 -0.047 -5.985 1.00 0.00 N ATOM 1012 CA LEU A 69 -5.980 -0.457 -7.332 1.00 0.00 C ATOM 1013 C LEU A 69 -6.992 0.562 -7.863 1.00 0.00 C ATOM 1014 O LEU A 69 -6.902 1.011 -8.988 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.649 -1.815 -7.113 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.627 -2.932 -7.341 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.332 -2.603 -6.595 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.192 -4.253 -6.817 1.00 0.00 C ATOM 0 H LEU A 69 -5.862 -0.591 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.174 -0.512 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.050 -1.876 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.490 -1.932 -7.797 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.419 -3.020 -8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.606 -3.399 -6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.928 -1.661 -6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.539 -2.514 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.465 -5.049 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.400 -4.162 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.114 -4.490 -7.347 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.951 0.934 -7.060 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.963 1.927 -7.522 1.00 0.00 C ATOM 1032 C ALA A 70 -8.272 3.079 -8.255 1.00 0.00 C ATOM 1033 O ALA A 70 -8.856 3.734 -9.095 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.636 2.431 -6.244 1.00 0.00 C ATOM 0 H ALA A 70 -8.078 0.595 -6.107 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.682 1.493 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.397 3.168 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.102 1.594 -5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.889 2.890 -5.596 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.029 3.330 -7.943 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.298 4.437 -8.622 1.00 0.00 C ATOM 1042 C LEU A 71 -5.399 3.878 -9.727 1.00 0.00 C ATOM 1043 O LEU A 71 -5.263 4.459 -10.785 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.455 5.086 -7.523 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.350 5.437 -6.333 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -5.491 5.594 -5.077 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.080 6.752 -6.618 1.00 0.00 C ATOM 0 H LEU A 71 -6.489 2.816 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.974 5.150 -9.094 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.663 4.406 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.970 5.985 -7.905 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.078 4.641 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.129 5.844 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.968 4.659 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.763 6.391 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.719 7.005 -5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.351 7.547 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.691 6.642 -7.514 1.00 0.00 H new ATOM 1059 N MET A 72 -4.784 2.751 -9.488 1.00 0.00 N ATOM 1060 CA MET A 72 -3.894 2.153 -10.525 1.00 0.00 C ATOM 1061 C MET A 72 -4.696 1.823 -11.786 1.00 0.00 C ATOM 1062 O MET A 72 -4.169 1.794 -12.880 1.00 0.00 O ATOM 1063 CB MET A 72 -3.348 0.875 -9.887 1.00 0.00 C ATOM 1064 CG MET A 72 -1.864 1.058 -9.564 1.00 0.00 C ATOM 1065 SD MET A 72 -0.952 1.397 -11.090 1.00 0.00 S ATOM 1066 CE MET A 72 -1.542 -0.033 -12.029 1.00 0.00 C ATOM 0 H MET A 72 -4.859 2.219 -8.621 1.00 0.00 H new ATOM 0 HA MET A 72 -3.097 2.832 -10.826 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.903 0.644 -8.978 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.482 0.032 -10.565 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.733 1.879 -8.859 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.472 0.161 -9.085 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.815 -0.287 -12.801 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.669 -0.882 -11.357 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.497 0.207 -12.495 1.00 0.00 H new ATOM 1076 N SER A 73 -5.969 1.575 -11.643 1.00 0.00 N ATOM 1077 CA SER A 73 -6.805 1.248 -12.834 1.00 0.00 C ATOM 1078 C SER A 73 -6.839 2.437 -13.799 1.00 0.00 C ATOM 1079 O SER A 73 -7.289 2.324 -14.922 1.00 0.00 O ATOM 1080 CB SER A 73 -8.199 0.971 -12.276 1.00 0.00 C ATOM 1081 OG SER A 73 -8.933 2.187 -12.216 1.00 0.00 O ATOM 0 H SER A 73 -6.467 1.585 -10.753 1.00 0.00 H new ATOM 0 HA SER A 73 -6.414 0.397 -13.392 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.719 0.250 -12.907 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.124 0.529 -11.282 1.00 0.00 H new ATOM 0 HG SER A 73 -9.829 2.011 -11.860 1.00 0.00 H new ATOM 1087 N ARG A 74 -6.366 3.575 -13.370 1.00 0.00 N ATOM 1088 CA ARG A 74 -6.372 4.769 -14.263 1.00 0.00 C ATOM 1089 C ARG A 74 -5.369 4.581 -15.404 1.00 0.00 C ATOM 1090 O ARG A 74 -5.680 4.798 -16.559 1.00 0.00 O ATOM 1091 CB ARG A 74 -5.954 5.935 -13.367 1.00 0.00 C ATOM 1092 CG ARG A 74 -6.446 7.250 -13.978 1.00 0.00 C ATOM 1093 CD ARG A 74 -6.327 8.369 -12.940 1.00 0.00 C ATOM 1094 NE ARG A 74 -5.488 9.411 -13.594 1.00 0.00 N ATOM 1095 CZ ARG A 74 -4.466 9.918 -12.959 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -4.519 10.085 -11.667 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -3.391 10.258 -13.618 1.00 0.00 N ATOM 0 H ARG A 74 -5.976 3.730 -12.440 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.346 4.937 -14.722 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.371 5.807 -12.368 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.869 5.955 -13.260 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.858 7.495 -14.862 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.482 7.148 -14.302 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.307 8.763 -12.670 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.864 8.008 -12.021 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.712 9.728 -14.537 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.359 9.820 -11.152 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.721 10.481 -11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.350 10.127 -14.629 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.593 10.654 -13.122 1.00 0.00 H new ATOM 1111 N GLN A 75 -4.168 4.179 -15.091 1.00 0.00 N ATOM 1112 CA GLN A 75 -3.146 3.977 -16.158 1.00 0.00 C ATOM 1113 C GLN A 75 -2.556 2.567 -16.067 1.00 0.00 C ATOM 1114 O GLN A 75 -1.364 2.392 -15.913 1.00 0.00 O ATOM 1115 CB GLN A 75 -2.071 5.028 -15.880 1.00 0.00 C ATOM 1116 CG GLN A 75 -1.516 5.555 -17.206 1.00 0.00 C ATOM 1117 CD GLN A 75 -0.225 6.332 -16.947 1.00 0.00 C ATOM 1118 OE1 GLN A 75 0.594 6.484 -17.831 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -0.007 6.835 -15.762 1.00 0.00 N ATOM 0 H GLN A 75 -3.850 3.981 -14.142 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.567 4.079 -17.158 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.491 5.848 -15.298 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.268 4.593 -15.285 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.323 4.726 -17.887 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.250 6.200 -17.689 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.695 6.708 -15.019 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.851 7.355 -15.579 1.00 0.00 H new ATOM 1128 N LEU A 76 -3.382 1.562 -16.161 1.00 0.00 N ATOM 1129 CA LEU A 76 -2.867 0.164 -16.078 1.00 0.00 C ATOM 1130 C LEU A 76 -2.739 -0.435 -17.482 1.00 0.00 C ATOM 1131 O LEU A 76 -3.671 -1.012 -18.008 1.00 0.00 O ATOM 1132 CB LEU A 76 -3.914 -0.596 -15.264 1.00 0.00 C ATOM 1133 CG LEU A 76 -3.459 -2.043 -15.071 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -3.018 -2.251 -13.622 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -4.620 -2.988 -15.390 1.00 0.00 C ATOM 0 H LEU A 76 -4.390 1.647 -16.292 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.880 0.113 -15.619 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.056 -0.116 -14.296 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.876 -0.571 -15.776 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.623 -2.253 -15.739 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.694 -3.283 -13.485 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.192 -1.578 -13.393 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.853 -2.041 -12.954 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.297 -4.020 -15.253 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.455 -2.777 -14.722 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.936 -2.841 -16.423 1.00 0.00 H new ATOM 1147 N LYS A 77 -1.594 -0.302 -18.092 1.00 0.00 N ATOM 1148 CA LYS A 77 -1.408 -0.865 -19.460 1.00 0.00 C ATOM 1149 C LYS A 77 -0.284 -1.905 -19.456 1.00 0.00 C ATOM 1150 O LYS A 77 -0.121 -2.576 -20.463 1.00 0.00 O ATOM 1151 CB LYS A 77 -1.027 0.332 -20.332 1.00 0.00 C ATOM 1152 CG LYS A 77 -1.999 0.437 -21.509 1.00 0.00 C ATOM 1153 CD LYS A 77 -1.773 1.760 -22.243 1.00 0.00 C ATOM 1154 CE LYS A 77 -1.699 1.501 -23.750 1.00 0.00 C ATOM 1155 NZ LYS A 77 -1.389 2.828 -24.352 1.00 0.00 N ATOM 1156 OXT LYS A 77 0.394 -2.012 -18.447 1.00 0.00 O ATOM 0 H LYS A 77 -0.779 0.172 -17.703 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.304 -1.367 -19.825 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.054 1.248 -19.742 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.007 0.218 -20.698 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.851 -0.400 -22.192 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.027 0.379 -21.151 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.584 2.454 -22.022 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.851 2.227 -21.898 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.927 0.769 -23.988 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.641 1.105 -24.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.322 2.733 -25.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.145 3.502 -24.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.484 3.176 -23.977 1.00 0.00 H new TER 1170 LYS A 77