USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0351 (180deg=-0.0664) USER MOD Single : A 8 ASN : amide:sc= -2.34! K(o=-2.3!,f=-0.016) USER MOD Single : A 13 THR OG1 : rot 101:sc= 1.27 USER MOD Single : A 19 CYS SG : rot 180:sc= -4.17! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -128:sc= 1.29 USER MOD Single : A 27 HIS : no HD1:sc= -0.377 K(o=-0.38,f=-0.92) USER MOD Single : A 28 LYS NZ :NH3+ 138:sc= 0.246 (180deg=-0.894!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.0234 (180deg=-0.231) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= -0.0114 (180deg=-0.145) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= -1.31 (180deg=-1.8) USER MOD Single : A 53 GLN : amide:sc= -2.61! C(o=-2.6!,f=-8.4!) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.09) USER MOD Single : A 56 SER OG : rot -35:sc= 1.07 USER MOD Single : A 65 LYS NZ :NH3+ -126:sc= 0.19 (180deg=-0.239) USER MOD Single : A 69 GLN : amide:sc= -0.103 K(o=-0.1,f=-1) USER MOD Single : A 70 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.78) USER MOD Single : A 72 SER OG : rot -120:sc= -1.37 USER MOD Single : A 79 SER OG : rot 57:sc= 0.011 USER MOD Single : A 83 THR OG1 : rot -150:sc= -1.13 USER MOD Single : A 84 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.08) USER MOD Single : A 88 LYS NZ :NH3+ 152:sc= 1.2 (180deg=1.15) USER MOD Single : A 92 SER OG : rot 55:sc= 0.289 USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= 1.29 (180deg=1.06) USER MOD Single : A 106 MET CE :methyl -117:sc= -1.55 (180deg=-6.67!) USER MOD Single : A 108 LYS NZ :NH3+ -167:sc= -0.0235 (180deg=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.825 8.573 -4.772 1.00 0.00 N ATOM 2 CA MET A 1 -19.393 7.392 -3.993 1.00 0.00 C ATOM 3 C MET A 1 -17.886 7.411 -3.808 1.00 0.00 C ATOM 4 O MET A 1 -17.161 7.968 -4.630 1.00 0.00 O ATOM 5 CB MET A 1 -19.810 6.098 -4.695 1.00 0.00 C ATOM 6 CG MET A 1 -21.315 5.904 -4.778 1.00 0.00 C ATOM 7 SD MET A 1 -22.090 5.811 -3.153 1.00 0.00 S ATOM 8 CE MET A 1 -23.809 5.590 -3.609 1.00 0.00 C ATOM 0 H1 MET A 1 -20.524 9.113 -4.224 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.002 9.176 -4.973 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.253 8.261 -5.667 1.00 0.00 H new ATOM 0 HA MET A 1 -19.877 7.431 -3.017 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.396 6.093 -5.703 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.372 5.251 -4.166 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.754 6.729 -5.340 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.530 4.991 -5.332 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.418 5.516 -2.708 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.141 6.443 -4.202 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.915 4.677 -4.195 1.00 0.00 H new ATOM 20 N ALA A 2 -17.422 6.814 -2.723 1.00 0.00 N ATOM 21 CA ALA A 2 -16.001 6.756 -2.430 1.00 0.00 C ATOM 22 C ALA A 2 -15.614 5.350 -2.006 1.00 0.00 C ATOM 23 O ALA A 2 -16.476 4.525 -1.701 1.00 0.00 O ATOM 24 CB ALA A 2 -15.646 7.755 -1.338 1.00 0.00 C ATOM 0 H ALA A 2 -18.014 6.360 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.445 7.016 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.578 7.701 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.900 8.762 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.206 7.519 -0.433 1.00 0.00 H new ATOM 30 N PHE A 3 -14.318 5.083 -1.981 1.00 0.00 N ATOM 31 CA PHE A 3 -13.808 3.772 -1.603 1.00 0.00 C ATOM 32 C PHE A 3 -13.644 3.689 -0.088 1.00 0.00 C ATOM 33 O PHE A 3 -12.591 3.282 0.412 1.00 0.00 O ATOM 34 CB PHE A 3 -12.472 3.506 -2.303 1.00 0.00 C ATOM 35 CG PHE A 3 -12.547 3.608 -3.802 1.00 0.00 C ATOM 36 CD1 PHE A 3 -12.390 4.832 -4.435 1.00 0.00 C ATOM 37 CD2 PHE A 3 -12.781 2.484 -4.577 1.00 0.00 C ATOM 38 CE1 PHE A 3 -12.464 4.931 -5.810 1.00 0.00 C ATOM 39 CE2 PHE A 3 -12.856 2.578 -5.954 1.00 0.00 C ATOM 40 CZ PHE A 3 -12.698 3.803 -6.570 1.00 0.00 C ATOM 0 H PHE A 3 -13.594 5.761 -2.220 1.00 0.00 H new ATOM 0 HA PHE A 3 -14.522 3.010 -1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -11.731 4.216 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -12.121 2.510 -2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.208 5.718 -3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -12.906 1.523 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -12.339 5.890 -6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.038 1.694 -6.547 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.757 3.879 -7.646 1.00 0.00 H new ATOM 50 N ALA A 4 -14.712 4.076 0.619 1.00 0.00 N ATOM 51 CA ALA A 4 -14.732 4.160 2.079 1.00 0.00 C ATOM 52 C ALA A 4 -13.862 5.310 2.579 1.00 0.00 C ATOM 53 O ALA A 4 -12.794 5.586 2.032 1.00 0.00 O ATOM 54 CB ALA A 4 -14.305 2.842 2.717 1.00 0.00 C ATOM 0 H ALA A 4 -15.596 4.342 0.185 1.00 0.00 H new ATOM 0 HA ALA A 4 -15.760 4.360 2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -14.331 2.938 3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.986 2.050 2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -13.292 2.595 2.398 1.00 0.00 H new ATOM 60 N GLY A 5 -14.330 5.974 3.633 1.00 0.00 N ATOM 61 CA GLY A 5 -13.591 7.083 4.219 1.00 0.00 C ATOM 62 C GLY A 5 -12.332 6.628 4.930 1.00 0.00 C ATOM 63 O GLY A 5 -11.658 7.419 5.594 1.00 0.00 O ATOM 0 H GLY A 5 -15.214 5.763 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.326 7.793 3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.233 7.611 4.924 1.00 0.00 H new ATOM 67 N ILE A 6 -12.034 5.341 4.806 1.00 0.00 N ATOM 68 CA ILE A 6 -10.758 4.796 5.233 1.00 0.00 C ATOM 69 C ILE A 6 -9.633 5.547 4.534 1.00 0.00 C ATOM 70 O ILE A 6 -8.594 5.846 5.125 1.00 0.00 O ATOM 71 CB ILE A 6 -10.670 3.291 4.894 1.00 0.00 C ATOM 72 CG1 ILE A 6 -11.711 2.511 5.701 1.00 0.00 C ATOM 73 CG2 ILE A 6 -9.267 2.755 5.151 1.00 0.00 C ATOM 74 CD1 ILE A 6 -11.772 1.040 5.356 1.00 0.00 C ATOM 0 H ILE A 6 -12.670 4.650 4.408 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.666 4.913 6.313 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.883 3.160 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.488 2.617 6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.693 2.955 5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.232 1.694 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.552 3.295 4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.012 2.892 6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.532 0.554 5.968 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.026 0.924 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.803 0.581 5.549 1.00 0.00 H new ATOM 86 N LEU A 7 -9.876 5.882 3.277 1.00 0.00 N ATOM 87 CA LEU A 7 -8.923 6.634 2.490 1.00 0.00 C ATOM 88 C LEU A 7 -9.582 7.879 1.929 1.00 0.00 C ATOM 89 O LEU A 7 -10.806 7.956 1.824 1.00 0.00 O ATOM 90 CB LEU A 7 -8.367 5.769 1.354 1.00 0.00 C ATOM 91 CG LEU A 7 -9.407 5.206 0.372 1.00 0.00 C ATOM 92 CD1 LEU A 7 -9.668 6.173 -0.775 1.00 0.00 C ATOM 93 CD2 LEU A 7 -8.958 3.858 -0.163 1.00 0.00 C ATOM 0 H LEU A 7 -10.734 5.641 2.780 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.095 6.932 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.646 6.362 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.820 4.934 1.792 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.342 5.074 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.408 5.744 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.043 7.116 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.740 6.351 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.706 3.474 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.006 3.971 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.839 3.159 0.665 1.00 0.00 H new ATOM 105 N ASN A 8 -8.772 8.861 1.598 1.00 0.00 N ATOM 106 CA ASN A 8 -9.246 10.038 0.904 1.00 0.00 C ATOM 107 C ASN A 8 -8.874 9.909 -0.560 1.00 0.00 C ATOM 108 O ASN A 8 -7.704 9.727 -0.894 1.00 0.00 O ATOM 109 CB ASN A 8 -8.616 11.309 1.485 1.00 0.00 C ATOM 110 CG ASN A 8 -9.184 11.713 2.836 1.00 0.00 C ATOM 111 OD1 ASN A 8 -9.241 12.898 3.160 1.00 0.00 O ATOM 112 ND2 ASN A 8 -9.596 10.741 3.639 1.00 0.00 N ATOM 0 H ASN A 8 -7.772 8.866 1.801 1.00 0.00 H new ATOM 0 HA ASN A 8 -10.327 10.115 1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.541 11.158 1.584 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.759 12.129 0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.975 10.966 4.559 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.534 9.769 3.337 1.00 0.00 H new ATOM 119 N ASP A 9 -9.866 9.991 -1.435 1.00 0.00 N ATOM 120 CA ASP A 9 -9.624 9.900 -2.874 1.00 0.00 C ATOM 121 C ASP A 9 -8.597 10.939 -3.301 1.00 0.00 C ATOM 122 O ASP A 9 -7.830 10.726 -4.232 1.00 0.00 O ATOM 123 CB ASP A 9 -10.926 10.095 -3.653 1.00 0.00 C ATOM 124 CG ASP A 9 -10.709 10.158 -5.154 1.00 0.00 C ATOM 125 OD1 ASP A 9 -10.446 9.108 -5.772 1.00 0.00 O ATOM 126 OD2 ASP A 9 -10.809 11.266 -5.728 1.00 0.00 O ATOM 0 H ASP A 9 -10.845 10.120 -1.178 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.235 8.906 -3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.608 9.276 -3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.408 11.014 -3.321 1.00 0.00 H new ATOM 131 N ALA A 10 -8.574 12.052 -2.585 1.00 0.00 N ATOM 132 CA ALA A 10 -7.636 13.128 -2.858 1.00 0.00 C ATOM 133 C ALA A 10 -6.222 12.777 -2.397 1.00 0.00 C ATOM 134 O ALA A 10 -5.245 13.171 -3.033 1.00 0.00 O ATOM 135 CB ALA A 10 -8.108 14.397 -2.172 1.00 0.00 C ATOM 0 H ALA A 10 -9.202 12.234 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.600 13.281 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.405 15.204 -2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.093 14.670 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.165 14.229 -1.096 1.00 0.00 H new ATOM 141 N ASP A 11 -6.109 12.027 -1.303 1.00 0.00 N ATOM 142 CA ASP A 11 -4.798 11.700 -0.742 1.00 0.00 C ATOM 143 C ASP A 11 -4.178 10.547 -1.507 1.00 0.00 C ATOM 144 O ASP A 11 -2.976 10.534 -1.781 1.00 0.00 O ATOM 145 CB ASP A 11 -4.903 11.391 0.764 1.00 0.00 C ATOM 146 CG ASP A 11 -4.980 9.927 1.120 1.00 0.00 C ATOM 147 OD1 ASP A 11 -3.920 9.319 1.308 1.00 0.00 O ATOM 148 OD2 ASP A 11 -6.099 9.402 1.282 1.00 0.00 O ATOM 0 H ASP A 11 -6.900 11.637 -0.791 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.145 12.567 -0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.039 11.825 1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.787 11.891 1.159 1.00 0.00 H new ATOM 153 N ILE A 12 -5.014 9.597 -1.863 1.00 0.00 N ATOM 154 CA ILE A 12 -4.612 8.508 -2.741 1.00 0.00 C ATOM 155 C ILE A 12 -4.150 9.058 -4.093 1.00 0.00 C ATOM 156 O ILE A 12 -3.086 8.687 -4.596 1.00 0.00 O ATOM 157 CB ILE A 12 -5.769 7.495 -2.922 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.682 6.380 -1.875 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.775 6.890 -4.319 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.611 6.864 -0.449 1.00 0.00 C ATOM 0 H ILE A 12 -5.986 9.552 -1.557 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.775 7.982 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.701 8.044 -2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.551 5.730 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.802 5.772 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.601 6.185 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.895 7.682 -5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.833 6.369 -4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.552 6.008 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.727 7.488 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.503 7.446 -0.218 1.00 0.00 H new ATOM 172 N THR A 13 -4.940 9.969 -4.657 1.00 0.00 N ATOM 173 CA THR A 13 -4.604 10.591 -5.933 1.00 0.00 C ATOM 174 C THR A 13 -3.323 11.419 -5.814 1.00 0.00 C ATOM 175 O THR A 13 -2.550 11.514 -6.761 1.00 0.00 O ATOM 176 CB THR A 13 -5.762 11.479 -6.442 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.941 10.683 -6.627 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.414 12.165 -7.753 1.00 0.00 C ATOM 0 H THR A 13 -5.817 10.292 -4.249 1.00 0.00 H new ATOM 0 HA THR A 13 -4.439 9.792 -6.656 1.00 0.00 H new ATOM 0 HB THR A 13 -5.939 12.249 -5.691 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.547 10.815 -5.869 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.254 12.779 -8.076 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.536 12.796 -7.612 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.201 11.412 -8.512 1.00 0.00 H new ATOM 186 N ALA A 14 -3.092 11.993 -4.637 1.00 0.00 N ATOM 187 CA ALA A 14 -1.898 12.793 -4.396 1.00 0.00 C ATOM 188 C ALA A 14 -0.631 11.958 -4.564 1.00 0.00 C ATOM 189 O ALA A 14 0.326 12.388 -5.206 1.00 0.00 O ATOM 190 CB ALA A 14 -1.948 13.413 -3.010 1.00 0.00 C ATOM 0 H ALA A 14 -3.718 11.918 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.872 13.593 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.049 14.007 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.827 14.053 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.004 12.624 -2.260 1.00 0.00 H new ATOM 196 N ALA A 15 -0.629 10.758 -3.997 1.00 0.00 N ATOM 197 CA ALA A 15 0.518 9.868 -4.121 1.00 0.00 C ATOM 198 C ALA A 15 0.647 9.341 -5.544 1.00 0.00 C ATOM 199 O ALA A 15 1.752 9.221 -6.069 1.00 0.00 O ATOM 200 CB ALA A 15 0.422 8.716 -3.134 1.00 0.00 C ATOM 0 H ALA A 15 -1.403 10.381 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 15 1.413 10.444 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.290 8.067 -3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.393 9.109 -2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.486 8.145 -3.328 1.00 0.00 H new ATOM 206 N LEU A 16 -0.487 9.049 -6.174 1.00 0.00 N ATOM 207 CA LEU A 16 -0.490 8.557 -7.548 1.00 0.00 C ATOM 208 C LEU A 16 -0.053 9.651 -8.520 1.00 0.00 C ATOM 209 O LEU A 16 0.418 9.365 -9.620 1.00 0.00 O ATOM 210 CB LEU A 16 -1.872 8.014 -7.928 1.00 0.00 C ATOM 211 CG LEU A 16 -2.291 6.751 -7.173 1.00 0.00 C ATOM 212 CD1 LEU A 16 -3.748 6.431 -7.442 1.00 0.00 C ATOM 213 CD2 LEU A 16 -1.410 5.577 -7.572 1.00 0.00 C ATOM 0 H LEU A 16 -1.413 9.144 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 16 0.228 7.739 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.615 8.791 -7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.883 7.803 -8.997 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.167 6.931 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.029 5.530 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.370 7.263 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.894 6.270 -8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.721 4.686 -7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.506 5.398 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.371 5.804 -7.333 1.00 0.00 H new ATOM 225 N ALA A 17 -0.208 10.900 -8.102 1.00 0.00 N ATOM 226 CA ALA A 17 0.274 12.033 -8.874 1.00 0.00 C ATOM 227 C ALA A 17 1.779 12.192 -8.694 1.00 0.00 C ATOM 228 O ALA A 17 2.484 12.644 -9.597 1.00 0.00 O ATOM 229 CB ALA A 17 -0.450 13.305 -8.459 1.00 0.00 C ATOM 0 H ALA A 17 -0.667 11.153 -7.227 1.00 0.00 H new ATOM 0 HA ALA A 17 0.068 11.849 -9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.077 14.144 -9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.520 13.188 -8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.272 13.496 -7.401 1.00 0.00 H new ATOM 235 N ALA A 18 2.269 11.798 -7.525 1.00 0.00 N ATOM 236 CA ALA A 18 3.691 11.860 -7.231 1.00 0.00 C ATOM 237 C ALA A 18 4.433 10.778 -8.000 1.00 0.00 C ATOM 238 O ALA A 18 5.588 10.949 -8.386 1.00 0.00 O ATOM 239 CB ALA A 18 3.932 11.716 -5.734 1.00 0.00 C ATOM 0 H ALA A 18 1.698 11.431 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 18 4.071 12.832 -7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.002 11.765 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.425 12.523 -5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.541 10.757 -5.393 1.00 0.00 H new ATOM 245 N CYS A 19 3.752 9.667 -8.233 1.00 0.00 N ATOM 246 CA CYS A 19 4.325 8.572 -8.998 1.00 0.00 C ATOM 247 C CYS A 19 3.803 8.585 -10.430 1.00 0.00 C ATOM 248 O CYS A 19 3.829 7.571 -11.117 1.00 0.00 O ATOM 249 CB CYS A 19 4.009 7.230 -8.332 1.00 0.00 C ATOM 250 SG CYS A 19 2.246 6.878 -8.158 1.00 0.00 S ATOM 0 H CYS A 19 2.801 9.500 -7.903 1.00 0.00 H new ATOM 0 HA CYS A 19 5.407 8.703 -9.023 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.470 6.432 -8.914 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.470 7.211 -7.344 1.00 0.00 H new ATOM 0 HG CYS A 19 2.089 5.721 -7.586 1.00 0.00 H new ATOM 256 N LYS A 20 3.326 9.741 -10.875 1.00 0.00 N ATOM 257 CA LYS A 20 2.806 9.882 -12.224 1.00 0.00 C ATOM 258 C LYS A 20 3.946 9.821 -13.236 1.00 0.00 C ATOM 259 O LYS A 20 3.789 9.304 -14.342 1.00 0.00 O ATOM 260 CB LYS A 20 2.046 11.203 -12.354 1.00 0.00 C ATOM 261 CG LYS A 20 1.351 11.379 -13.688 1.00 0.00 C ATOM 262 CD LYS A 20 0.598 12.701 -13.765 1.00 0.00 C ATOM 263 CE LYS A 20 1.534 13.896 -13.670 1.00 0.00 C ATOM 264 NZ LYS A 20 0.801 15.183 -13.786 1.00 0.00 N ATOM 0 H LYS A 20 3.290 10.595 -10.318 1.00 0.00 H new ATOM 0 HA LYS A 20 2.119 9.061 -12.428 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.304 11.265 -11.557 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.742 12.028 -12.206 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.088 11.333 -14.490 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.655 10.555 -13.847 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.044 12.748 -14.702 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.134 12.749 -12.959 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.066 13.866 -12.719 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.285 13.833 -14.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.474 15.973 -13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.313 15.223 -14.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.102 15.255 -13.019 1.00 0.00 H new ATOM 278 N ALA A 21 5.094 10.354 -12.841 1.00 0.00 N ATOM 279 CA ALA A 21 6.286 10.320 -13.672 1.00 0.00 C ATOM 280 C ALA A 21 6.954 8.952 -13.593 1.00 0.00 C ATOM 281 O ALA A 21 7.046 8.359 -12.516 1.00 0.00 O ATOM 282 CB ALA A 21 7.254 11.406 -13.235 1.00 0.00 C ATOM 0 H ALA A 21 5.224 10.818 -11.942 1.00 0.00 H new ATOM 0 HA ALA A 21 5.996 10.501 -14.707 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.145 11.374 -13.863 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.776 12.381 -13.333 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.537 11.244 -12.195 1.00 0.00 H new ATOM 288 N GLU A 22 7.415 8.452 -14.735 1.00 0.00 N ATOM 289 CA GLU A 22 8.068 7.151 -14.787 1.00 0.00 C ATOM 290 C GLU A 22 9.349 7.165 -13.959 1.00 0.00 C ATOM 291 O GLU A 22 10.170 8.075 -14.076 1.00 0.00 O ATOM 292 CB GLU A 22 8.366 6.745 -16.235 1.00 0.00 C ATOM 293 CG GLU A 22 9.314 7.684 -16.962 1.00 0.00 C ATOM 294 CD GLU A 22 9.662 7.193 -18.350 1.00 0.00 C ATOM 295 OE1 GLU A 22 10.289 6.118 -18.465 1.00 0.00 O ATOM 296 OE2 GLU A 22 9.319 7.881 -19.333 1.00 0.00 O ATOM 0 H GLU A 22 7.348 8.928 -15.635 1.00 0.00 H new ATOM 0 HA GLU A 22 7.389 6.412 -14.363 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.792 5.742 -16.239 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.428 6.695 -16.787 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.859 8.672 -17.033 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.228 7.795 -16.379 1.00 0.00 H new ATOM 303 N GLY A 23 9.502 6.164 -13.107 1.00 0.00 N ATOM 304 CA GLY A 23 10.642 6.118 -12.215 1.00 0.00 C ATOM 305 C GLY A 23 10.346 6.769 -10.882 1.00 0.00 C ATOM 306 O GLY A 23 11.003 6.485 -9.882 1.00 0.00 O ATOM 0 H GLY A 23 8.856 5.380 -13.017 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.935 5.080 -12.054 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.489 6.620 -12.683 1.00 0.00 H new ATOM 310 N SER A 24 9.337 7.631 -10.860 1.00 0.00 N ATOM 311 CA SER A 24 8.966 8.343 -9.647 1.00 0.00 C ATOM 312 C SER A 24 7.978 7.510 -8.832 1.00 0.00 C ATOM 313 O SER A 24 7.305 8.010 -7.931 1.00 0.00 O ATOM 314 CB SER A 24 8.369 9.711 -10.005 1.00 0.00 C ATOM 315 OG SER A 24 8.174 10.516 -8.853 1.00 0.00 O ATOM 0 H SER A 24 8.761 7.853 -11.672 1.00 0.00 H new ATOM 0 HA SER A 24 9.856 8.506 -9.039 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.031 10.226 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.417 9.570 -10.516 1.00 0.00 H new ATOM 0 HG SER A 24 7.250 10.842 -8.834 1.00 0.00 H new ATOM 321 N PHE A 25 7.897 6.228 -9.162 1.00 0.00 N ATOM 322 CA PHE A 25 7.048 5.304 -8.435 1.00 0.00 C ATOM 323 C PHE A 25 7.726 4.860 -7.154 1.00 0.00 C ATOM 324 O PHE A 25 8.562 3.954 -7.162 1.00 0.00 O ATOM 325 CB PHE A 25 6.714 4.078 -9.283 1.00 0.00 C ATOM 326 CG PHE A 25 5.786 4.361 -10.431 1.00 0.00 C ATOM 327 CD1 PHE A 25 6.277 4.834 -11.638 1.00 0.00 C ATOM 328 CD2 PHE A 25 4.424 4.139 -10.306 1.00 0.00 C ATOM 329 CE1 PHE A 25 5.425 5.081 -12.699 1.00 0.00 C ATOM 330 CE2 PHE A 25 3.568 4.386 -11.363 1.00 0.00 C ATOM 331 CZ PHE A 25 4.070 4.857 -12.560 1.00 0.00 C ATOM 0 H PHE A 25 8.414 5.806 -9.934 1.00 0.00 H new ATOM 0 HA PHE A 25 6.122 5.826 -8.195 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.640 3.656 -9.674 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.263 3.319 -8.644 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.336 5.012 -11.751 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.027 3.769 -9.372 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.819 5.449 -13.635 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.508 4.211 -11.253 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.403 5.050 -13.387 1.00 0.00 H new ATOM 341 N ASP A 26 7.378 5.508 -6.059 1.00 0.00 N ATOM 342 CA ASP A 26 7.896 5.122 -4.762 1.00 0.00 C ATOM 343 C ASP A 26 6.813 4.413 -3.976 1.00 0.00 C ATOM 344 O ASP A 26 6.006 5.054 -3.307 1.00 0.00 O ATOM 345 CB ASP A 26 8.402 6.334 -3.978 1.00 0.00 C ATOM 346 CG ASP A 26 9.702 6.888 -4.521 1.00 0.00 C ATOM 347 OD1 ASP A 26 10.724 6.176 -4.456 1.00 0.00 O ATOM 348 OD2 ASP A 26 9.711 8.043 -4.999 1.00 0.00 O ATOM 0 H ASP A 26 6.739 6.303 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 26 8.740 4.450 -4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.643 7.116 -3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.541 6.053 -2.934 1.00 0.00 H new ATOM 353 N HIS A 27 6.786 3.085 -4.084 1.00 0.00 N ATOM 354 CA HIS A 27 5.791 2.273 -3.380 1.00 0.00 C ATOM 355 C HIS A 27 5.771 2.607 -1.895 1.00 0.00 C ATOM 356 O HIS A 27 4.723 2.614 -1.256 1.00 0.00 O ATOM 357 CB HIS A 27 6.054 0.763 -3.590 1.00 0.00 C ATOM 358 CG HIS A 27 7.064 0.150 -2.657 1.00 0.00 C ATOM 359 ND1 HIS A 27 6.707 -0.652 -1.591 1.00 0.00 N ATOM 360 CD2 HIS A 27 8.417 0.220 -2.633 1.00 0.00 C ATOM 361 CE1 HIS A 27 7.794 -1.039 -0.950 1.00 0.00 C ATOM 362 NE2 HIS A 27 8.842 -0.525 -1.562 1.00 0.00 N ATOM 0 H HIS A 27 7.441 2.548 -4.652 1.00 0.00 H new ATOM 0 HA HIS A 27 4.813 2.509 -3.800 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.111 0.228 -3.480 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.390 0.609 -4.615 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.043 0.761 -3.327 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.820 -1.669 -0.073 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.814 -0.660 -1.284 1.00 0.00 H new ATOM 371 N LYS A 28 6.937 2.912 -1.371 1.00 0.00 N ATOM 372 CA LYS A 28 7.102 3.173 0.038 1.00 0.00 C ATOM 373 C LYS A 28 6.585 4.560 0.387 1.00 0.00 C ATOM 374 O LYS A 28 5.812 4.720 1.332 1.00 0.00 O ATOM 375 CB LYS A 28 8.572 3.049 0.372 1.00 0.00 C ATOM 376 CG LYS A 28 8.881 3.136 1.858 1.00 0.00 C ATOM 377 CD LYS A 28 10.285 2.643 2.167 1.00 0.00 C ATOM 378 CE LYS A 28 10.610 2.772 3.647 1.00 0.00 C ATOM 379 NZ LYS A 28 9.609 2.081 4.504 1.00 0.00 N ATOM 0 H LYS A 28 7.798 2.986 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 28 6.528 2.453 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.941 2.097 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.119 3.835 -0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.775 4.168 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.156 2.544 2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.381 1.601 1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.008 3.213 1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.599 2.355 3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.651 3.827 3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.098 1.573 5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.960 2.782 4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.069 1.403 3.929 1.00 0.00 H new ATOM 393 N ALA A 29 7.004 5.556 -0.392 1.00 0.00 N ATOM 394 CA ALA A 29 6.535 6.922 -0.206 1.00 0.00 C ATOM 395 C ALA A 29 5.025 6.983 -0.371 1.00 0.00 C ATOM 396 O ALA A 29 4.356 7.779 0.273 1.00 0.00 O ATOM 397 CB ALA A 29 7.216 7.870 -1.180 1.00 0.00 C ATOM 0 H ALA A 29 7.668 5.439 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 29 6.792 7.238 0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.847 8.883 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.294 7.846 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.996 7.562 -2.202 1.00 0.00 H new ATOM 403 N PHE A 30 4.502 6.123 -1.234 1.00 0.00 N ATOM 404 CA PHE A 30 3.067 5.983 -1.423 1.00 0.00 C ATOM 405 C PHE A 30 2.384 5.669 -0.092 1.00 0.00 C ATOM 406 O PHE A 30 1.499 6.402 0.349 1.00 0.00 O ATOM 407 CB PHE A 30 2.792 4.869 -2.438 1.00 0.00 C ATOM 408 CG PHE A 30 1.342 4.682 -2.784 1.00 0.00 C ATOM 409 CD1 PHE A 30 0.778 5.378 -3.838 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.546 3.804 -2.063 1.00 0.00 C ATOM 411 CE1 PHE A 30 -0.552 5.208 -4.167 1.00 0.00 C ATOM 412 CE2 PHE A 30 -0.785 3.628 -2.389 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.334 4.332 -3.443 1.00 0.00 C ATOM 0 H PHE A 30 5.061 5.504 -1.822 1.00 0.00 H new ATOM 0 HA PHE A 30 2.663 6.921 -1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.345 5.084 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.182 3.931 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.386 6.063 -4.411 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.971 3.252 -1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.980 5.760 -4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.395 2.941 -1.821 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.374 4.197 -3.700 1.00 0.00 H new ATOM 423 N PHE A 31 2.827 4.594 0.555 1.00 0.00 N ATOM 424 CA PHE A 31 2.217 4.135 1.802 1.00 0.00 C ATOM 425 C PHE A 31 2.360 5.164 2.918 1.00 0.00 C ATOM 426 O PHE A 31 1.418 5.399 3.675 1.00 0.00 O ATOM 427 CB PHE A 31 2.820 2.800 2.243 1.00 0.00 C ATOM 428 CG PHE A 31 2.612 1.693 1.250 1.00 0.00 C ATOM 429 CD1 PHE A 31 1.365 1.473 0.686 1.00 0.00 C ATOM 430 CD2 PHE A 31 3.665 0.876 0.874 1.00 0.00 C ATOM 431 CE1 PHE A 31 1.173 0.460 -0.233 1.00 0.00 C ATOM 432 CE2 PHE A 31 3.479 -0.137 -0.044 1.00 0.00 C ATOM 433 CZ PHE A 31 2.232 -0.346 -0.599 1.00 0.00 C ATOM 0 H PHE A 31 3.609 4.022 0.236 1.00 0.00 H new ATOM 0 HA PHE A 31 1.154 3.999 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.889 2.931 2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.381 2.509 3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.533 2.101 0.969 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.643 1.034 1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.196 0.299 -0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.309 -0.767 -0.329 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.086 -1.138 -1.318 1.00 0.00 H new ATOM 443 N THR A 32 3.524 5.786 3.020 1.00 0.00 N ATOM 444 CA THR A 32 3.763 6.753 4.081 1.00 0.00 C ATOM 445 C THR A 32 3.076 8.090 3.788 1.00 0.00 C ATOM 446 O THR A 32 2.800 8.867 4.702 1.00 0.00 O ATOM 447 CB THR A 32 5.277 6.952 4.355 1.00 0.00 C ATOM 448 OG1 THR A 32 5.482 7.986 5.325 1.00 0.00 O ATOM 449 CG2 THR A 32 6.043 7.284 3.084 1.00 0.00 C ATOM 0 H THR A 32 4.311 5.641 2.388 1.00 0.00 H new ATOM 0 HA THR A 32 3.320 6.342 4.988 1.00 0.00 H new ATOM 0 HB THR A 32 5.659 6.009 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.442 8.097 5.487 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.099 7.416 3.320 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.930 6.470 2.368 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.650 8.205 2.652 1.00 0.00 H new ATOM 457 N LYS A 33 2.775 8.348 2.524 1.00 0.00 N ATOM 458 CA LYS A 33 2.121 9.591 2.137 1.00 0.00 C ATOM 459 C LYS A 33 0.624 9.520 2.409 1.00 0.00 C ATOM 460 O LYS A 33 0.054 10.424 3.014 1.00 0.00 O ATOM 461 CB LYS A 33 2.375 9.882 0.662 1.00 0.00 C ATOM 462 CG LYS A 33 1.929 11.265 0.219 1.00 0.00 C ATOM 463 CD LYS A 33 2.329 11.554 -1.220 1.00 0.00 C ATOM 464 CE LYS A 33 3.840 11.526 -1.409 1.00 0.00 C ATOM 465 NZ LYS A 33 4.535 12.480 -0.503 1.00 0.00 N ATOM 0 H LYS A 33 2.972 7.715 1.749 1.00 0.00 H new ATOM 0 HA LYS A 33 2.540 10.401 2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.440 9.773 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.858 9.135 0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.847 11.347 0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.368 12.016 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.868 10.819 -1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.945 12.531 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.209 10.517 -1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.080 11.769 -2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.527 12.580 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.065 13.407 -0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.499 12.121 0.472 1.00 0.00 H new ATOM 479 N VAL A 34 -0.006 8.436 1.972 1.00 0.00 N ATOM 480 CA VAL A 34 -1.427 8.240 2.168 1.00 0.00 C ATOM 481 C VAL A 34 -1.740 7.871 3.622 1.00 0.00 C ATOM 482 O VAL A 34 -2.897 7.876 4.041 1.00 0.00 O ATOM 483 CB VAL A 34 -1.943 7.132 1.231 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.681 7.490 -0.224 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.319 5.789 1.571 1.00 0.00 C ATOM 0 H VAL A 34 0.456 7.675 1.475 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.930 9.178 1.935 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.020 7.049 1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.054 6.693 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.192 8.422 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.609 7.612 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.703 5.027 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.236 5.854 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.570 5.521 2.597 1.00 0.00 H new ATOM 495 N GLY A 35 -0.699 7.543 4.383 1.00 0.00 N ATOM 496 CA GLY A 35 -0.874 7.211 5.786 1.00 0.00 C ATOM 497 C GLY A 35 -1.228 5.752 5.998 1.00 0.00 C ATOM 498 O GLY A 35 -1.722 5.371 7.058 1.00 0.00 O ATOM 0 H GLY A 35 0.265 7.501 4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.043 7.441 6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.660 7.837 6.209 1.00 0.00 H new ATOM 502 N LEU A 36 -0.940 4.925 5.003 1.00 0.00 N ATOM 503 CA LEU A 36 -1.293 3.511 5.055 1.00 0.00 C ATOM 504 C LEU A 36 -0.248 2.722 5.827 1.00 0.00 C ATOM 505 O LEU A 36 -0.283 1.500 5.872 1.00 0.00 O ATOM 506 CB LEU A 36 -1.455 2.949 3.640 1.00 0.00 C ATOM 507 CG LEU A 36 -2.197 1.614 3.549 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.633 1.771 4.029 1.00 0.00 C ATOM 509 CD2 LEU A 36 -2.162 1.083 2.125 1.00 0.00 C ATOM 0 H LEU A 36 -0.462 5.208 4.148 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.245 3.415 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.986 3.683 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.465 2.827 3.200 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.696 0.893 4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.147 0.813 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.635 2.108 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.146 2.505 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.694 0.133 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.640 1.800 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.127 0.935 1.817 1.00 0.00 H new ATOM 521 N ALA A 37 0.691 3.425 6.425 1.00 0.00 N ATOM 522 CA ALA A 37 1.621 2.804 7.345 1.00 0.00 C ATOM 523 C ALA A 37 1.107 2.955 8.777 1.00 0.00 C ATOM 524 O ALA A 37 1.616 2.327 9.701 1.00 0.00 O ATOM 525 CB ALA A 37 3.005 3.417 7.189 1.00 0.00 C ATOM 0 H ALA A 37 0.831 4.426 6.291 1.00 0.00 H new ATOM 0 HA ALA A 37 1.700 1.741 7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.694 2.941 7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.358 3.264 6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.956 4.485 7.400 1.00 0.00 H new ATOM 531 N ALA A 38 0.072 3.781 8.940 1.00 0.00 N ATOM 532 CA ALA A 38 -0.492 4.069 10.256 1.00 0.00 C ATOM 533 C ALA A 38 -1.962 3.658 10.326 1.00 0.00 C ATOM 534 O ALA A 38 -2.732 4.165 11.141 1.00 0.00 O ATOM 535 CB ALA A 38 -0.339 5.547 10.575 1.00 0.00 C ATOM 0 H ALA A 38 -0.393 4.264 8.171 1.00 0.00 H new ATOM 0 HA ALA A 38 0.054 3.487 10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.762 5.753 11.558 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.718 5.812 10.572 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.863 6.138 9.824 1.00 0.00 H new ATOM 541 N LYS A 39 -2.332 2.734 9.458 1.00 0.00 N ATOM 542 CA LYS A 39 -3.694 2.211 9.377 1.00 0.00 C ATOM 543 C LYS A 39 -4.019 1.250 10.517 1.00 0.00 C ATOM 544 O LYS A 39 -3.152 0.884 11.314 1.00 0.00 O ATOM 545 CB LYS A 39 -3.877 1.478 8.045 1.00 0.00 C ATOM 546 CG LYS A 39 -2.601 0.846 7.511 1.00 0.00 C ATOM 547 CD LYS A 39 -1.951 -0.105 8.508 1.00 0.00 C ATOM 548 CE LYS A 39 -0.592 -0.562 8.017 1.00 0.00 C ATOM 549 NZ LYS A 39 0.138 -1.353 9.043 1.00 0.00 N ATOM 0 H LYS A 39 -1.693 2.318 8.780 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.373 3.060 9.453 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.631 0.701 8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.261 2.180 7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.826 0.304 6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.893 1.633 7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.845 0.391 9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.595 -0.970 8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.716 -1.164 7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.004 0.308 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.062 -1.645 8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.280 -0.771 9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.417 -2.197 9.290 1.00 0.00 H new ATOM 563 N SER A 40 -5.278 0.849 10.575 1.00 0.00 N ATOM 564 CA SER A 40 -5.724 -0.200 11.470 1.00 0.00 C ATOM 565 C SER A 40 -5.942 -1.481 10.654 1.00 0.00 C ATOM 566 O SER A 40 -6.069 -1.403 9.430 1.00 0.00 O ATOM 567 CB SER A 40 -7.019 0.234 12.161 1.00 0.00 C ATOM 568 OG SER A 40 -6.862 1.495 12.795 1.00 0.00 O ATOM 0 H SER A 40 -6.021 1.245 9.999 1.00 0.00 H new ATOM 0 HA SER A 40 -4.975 -0.390 12.239 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.825 0.289 11.429 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.310 -0.514 12.899 1.00 0.00 H new ATOM 0 HG SER A 40 -7.703 1.751 13.228 1.00 0.00 H new ATOM 574 N PRO A 41 -5.960 -2.665 11.297 1.00 0.00 N ATOM 575 CA PRO A 41 -6.119 -3.956 10.609 1.00 0.00 C ATOM 576 C PRO A 41 -7.214 -3.960 9.533 1.00 0.00 C ATOM 577 O PRO A 41 -6.980 -4.407 8.409 1.00 0.00 O ATOM 578 CB PRO A 41 -6.481 -4.935 11.739 1.00 0.00 C ATOM 579 CG PRO A 41 -6.574 -4.117 12.989 1.00 0.00 C ATOM 580 CD PRO A 41 -5.797 -2.858 12.740 1.00 0.00 C ATOM 0 HA PRO A 41 -5.209 -4.214 10.067 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.426 -5.436 11.531 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.723 -5.712 11.838 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.613 -3.890 13.226 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.165 -4.662 13.840 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.193 -2.017 13.309 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.749 -2.966 13.019 1.00 0.00 H new ATOM 588 N ALA A 42 -8.394 -3.445 9.871 1.00 0.00 N ATOM 589 CA ALA A 42 -9.531 -3.462 8.952 1.00 0.00 C ATOM 590 C ALA A 42 -9.265 -2.613 7.712 1.00 0.00 C ATOM 591 O ALA A 42 -9.747 -2.924 6.620 1.00 0.00 O ATOM 592 CB ALA A 42 -10.794 -2.988 9.656 1.00 0.00 C ATOM 0 H ALA A 42 -8.588 -3.011 10.773 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.674 -4.492 8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.630 -3.007 8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.010 -3.646 10.498 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.648 -1.971 10.019 1.00 0.00 H new ATOM 598 N ASP A 43 -8.482 -1.554 7.878 1.00 0.00 N ATOM 599 CA ASP A 43 -8.141 -0.678 6.763 1.00 0.00 C ATOM 600 C ASP A 43 -7.254 -1.432 5.787 1.00 0.00 C ATOM 601 O ASP A 43 -7.433 -1.363 4.574 1.00 0.00 O ATOM 602 CB ASP A 43 -7.411 0.582 7.244 1.00 0.00 C ATOM 603 CG ASP A 43 -8.157 1.338 8.326 1.00 0.00 C ATOM 604 OD1 ASP A 43 -9.368 1.597 8.163 1.00 0.00 O ATOM 605 OD2 ASP A 43 -7.533 1.672 9.352 1.00 0.00 O ATOM 0 H ASP A 43 -8.072 -1.281 8.771 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.066 -0.370 6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.428 0.301 7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.249 1.245 6.394 1.00 0.00 H new ATOM 610 N ILE A 44 -6.306 -2.171 6.334 1.00 0.00 N ATOM 611 CA ILE A 44 -5.412 -2.986 5.530 1.00 0.00 C ATOM 612 C ILE A 44 -6.160 -4.179 4.925 1.00 0.00 C ATOM 613 O ILE A 44 -5.808 -4.661 3.849 1.00 0.00 O ATOM 614 CB ILE A 44 -4.196 -3.447 6.369 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.144 -2.343 6.437 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.578 -4.726 5.832 1.00 0.00 C ATOM 617 CD1 ILE A 44 -2.645 -1.869 5.087 1.00 0.00 C ATOM 0 H ILE A 44 -6.134 -2.224 7.338 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.038 -2.380 4.705 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.562 -3.658 7.374 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.562 -1.492 6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.295 -2.702 7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.729 -5.009 6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.321 -5.524 5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.240 -4.565 4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.901 -1.085 5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.194 -2.705 4.552 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.481 -1.476 4.508 1.00 0.00 H new ATOM 629 N LYS A 45 -7.213 -4.626 5.601 1.00 0.00 N ATOM 630 CA LYS A 45 -8.043 -5.714 5.095 1.00 0.00 C ATOM 631 C LYS A 45 -8.676 -5.334 3.755 1.00 0.00 C ATOM 632 O LYS A 45 -8.652 -6.116 2.802 1.00 0.00 O ATOM 633 CB LYS A 45 -9.128 -6.083 6.114 1.00 0.00 C ATOM 634 CG LYS A 45 -10.064 -7.195 5.652 1.00 0.00 C ATOM 635 CD LYS A 45 -9.313 -8.481 5.330 1.00 0.00 C ATOM 636 CE LYS A 45 -8.677 -9.098 6.567 1.00 0.00 C ATOM 637 NZ LYS A 45 -9.697 -9.558 7.549 1.00 0.00 N ATOM 0 H LYS A 45 -7.512 -4.252 6.501 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.405 -6.584 4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.649 -6.389 7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.719 -5.195 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.803 -7.392 6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.611 -6.864 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.000 -9.198 4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.539 -8.273 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.053 -9.941 6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.022 -8.367 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.237 -10.134 8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.151 -8.733 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.416 -10.129 7.061 1.00 0.00 H new ATOM 651 N LYS A 46 -9.219 -4.125 3.671 1.00 0.00 N ATOM 652 CA LYS A 46 -9.812 -3.669 2.422 1.00 0.00 C ATOM 653 C LYS A 46 -8.716 -3.405 1.393 1.00 0.00 C ATOM 654 O LYS A 46 -8.946 -3.509 0.193 1.00 0.00 O ATOM 655 CB LYS A 46 -10.709 -2.434 2.641 1.00 0.00 C ATOM 656 CG LYS A 46 -9.989 -1.188 3.143 1.00 0.00 C ATOM 657 CD LYS A 46 -9.490 -0.297 2.006 1.00 0.00 C ATOM 658 CE LYS A 46 -10.571 0.651 1.488 1.00 0.00 C ATOM 659 NZ LYS A 46 -11.729 -0.062 0.884 1.00 0.00 N ATOM 0 H LYS A 46 -9.261 -3.454 4.438 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.459 -4.456 2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.204 -2.193 1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.490 -2.695 3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.664 -0.615 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.144 -1.487 3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.636 0.285 2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.137 -0.923 1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.924 1.275 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.135 1.319 0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.336 0.621 0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.384 -0.774 0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.277 -0.532 1.633 1.00 0.00 H new ATOM 673 N VAL A 47 -7.516 -3.090 1.875 1.00 0.00 N ATOM 674 CA VAL A 47 -6.353 -2.943 1.005 1.00 0.00 C ATOM 675 C VAL A 47 -5.972 -4.289 0.389 1.00 0.00 C ATOM 676 O VAL A 47 -5.547 -4.359 -0.766 1.00 0.00 O ATOM 677 CB VAL A 47 -5.147 -2.350 1.762 1.00 0.00 C ATOM 678 CG1 VAL A 47 -3.908 -2.321 0.882 1.00 0.00 C ATOM 679 CG2 VAL A 47 -5.472 -0.952 2.256 1.00 0.00 C ATOM 0 H VAL A 47 -7.324 -2.932 2.864 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.626 -2.249 0.210 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.939 -2.990 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.074 -1.898 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.659 -3.335 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.101 -1.709 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.612 -0.545 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.709 -0.312 1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.329 -0.994 2.929 1.00 0.00 H new ATOM 689 N PHE A 48 -6.137 -5.357 1.162 1.00 0.00 N ATOM 690 CA PHE A 48 -5.938 -6.711 0.656 1.00 0.00 C ATOM 691 C PHE A 48 -6.860 -6.971 -0.531 1.00 0.00 C ATOM 692 O PHE A 48 -6.466 -7.585 -1.523 1.00 0.00 O ATOM 693 CB PHE A 48 -6.203 -7.745 1.754 1.00 0.00 C ATOM 694 CG PHE A 48 -5.183 -7.758 2.863 1.00 0.00 C ATOM 695 CD1 PHE A 48 -3.875 -7.349 2.643 1.00 0.00 C ATOM 696 CD2 PHE A 48 -5.532 -8.216 4.123 1.00 0.00 C ATOM 697 CE1 PHE A 48 -2.940 -7.397 3.660 1.00 0.00 C ATOM 698 CE2 PHE A 48 -4.603 -8.261 5.143 1.00 0.00 C ATOM 699 CZ PHE A 48 -3.305 -7.853 4.910 1.00 0.00 C ATOM 0 H PHE A 48 -6.409 -5.311 2.144 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.901 -6.804 0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -7.186 -7.554 2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.240 -8.736 1.301 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.585 -6.989 1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.544 -8.542 4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.925 -7.078 3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.891 -8.615 6.122 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.576 -7.891 5.706 1.00 0.00 H new ATOM 709 N GLU A 49 -8.089 -6.490 -0.416 1.00 0.00 N ATOM 710 CA GLU A 49 -9.053 -6.556 -1.509 1.00 0.00 C ATOM 711 C GLU A 49 -8.608 -5.668 -2.668 1.00 0.00 C ATOM 712 O GLU A 49 -8.943 -5.921 -3.823 1.00 0.00 O ATOM 713 CB GLU A 49 -10.424 -6.087 -1.017 1.00 0.00 C ATOM 714 CG GLU A 49 -10.954 -6.857 0.181 1.00 0.00 C ATOM 715 CD GLU A 49 -11.502 -8.214 -0.191 1.00 0.00 C ATOM 716 OE1 GLU A 49 -12.661 -8.273 -0.655 1.00 0.00 O ATOM 717 OE2 GLU A 49 -10.793 -9.224 -0.008 1.00 0.00 O ATOM 0 H GLU A 49 -8.446 -6.046 0.430 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.115 -7.588 -1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.362 -5.030 -0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.140 -6.172 -1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.154 -6.981 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.738 -6.274 0.664 1.00 0.00 H new ATOM 724 N ILE A 50 -7.852 -4.628 -2.341 1.00 0.00 N ATOM 725 CA ILE A 50 -7.430 -3.637 -3.317 1.00 0.00 C ATOM 726 C ILE A 50 -6.516 -4.225 -4.391 1.00 0.00 C ATOM 727 O ILE A 50 -6.775 -4.032 -5.581 1.00 0.00 O ATOM 728 CB ILE A 50 -6.756 -2.429 -2.634 1.00 0.00 C ATOM 729 CG1 ILE A 50 -7.787 -1.645 -1.825 1.00 0.00 C ATOM 730 CG2 ILE A 50 -6.075 -1.521 -3.645 1.00 0.00 C ATOM 731 CD1 ILE A 50 -9.005 -1.228 -2.618 1.00 0.00 C ATOM 0 H ILE A 50 -7.516 -4.450 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.335 -3.292 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.986 -2.809 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.108 -2.253 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.311 -0.754 -1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.612 -0.682 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.310 -2.083 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.814 -1.146 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.688 -0.677 -1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.698 -0.592 -3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.508 -2.114 -3.006 1.00 0.00 H new ATOM 743 N ILE A 51 -5.467 -4.953 -3.995 1.00 0.00 N ATOM 744 CA ILE A 51 -4.550 -5.516 -4.989 1.00 0.00 C ATOM 745 C ILE A 51 -5.249 -6.578 -5.804 1.00 0.00 C ATOM 746 O ILE A 51 -4.999 -6.703 -7.001 1.00 0.00 O ATOM 747 CB ILE A 51 -3.219 -6.102 -4.424 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.452 -6.937 -3.146 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.219 -4.989 -4.190 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.374 -6.147 -1.855 1.00 0.00 C ATOM 0 H ILE A 51 -5.236 -5.162 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.261 -4.664 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.807 -6.785 -5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.433 -7.409 -3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.714 -7.739 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.293 -5.408 -3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.014 -4.480 -5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.629 -4.277 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.550 -6.813 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.385 -5.697 -1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.131 -5.362 -1.862 1.00 0.00 H new ATOM 762 N ASP A 52 -6.147 -7.328 -5.177 1.00 0.00 N ATOM 763 CA ASP A 52 -6.860 -8.357 -5.905 1.00 0.00 C ATOM 764 C ASP A 52 -8.047 -7.742 -6.647 1.00 0.00 C ATOM 765 O ASP A 52 -9.188 -7.818 -6.185 1.00 0.00 O ATOM 766 CB ASP A 52 -7.359 -9.484 -5.000 1.00 0.00 C ATOM 767 CG ASP A 52 -7.556 -10.779 -5.782 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.716 -10.724 -7.023 1.00 0.00 O ATOM 769 OD2 ASP A 52 -7.565 -11.857 -5.159 1.00 0.00 O ATOM 0 H ASP A 52 -6.391 -7.243 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.153 -8.792 -6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.644 -9.649 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.301 -9.190 -4.536 1.00 0.00 H new ATOM 774 N GLN A 53 -7.753 -7.111 -7.780 1.00 0.00 N ATOM 775 CA GLN A 53 -8.765 -6.481 -8.630 1.00 0.00 C ATOM 776 C GLN A 53 -9.975 -7.388 -8.861 1.00 0.00 C ATOM 777 O GLN A 53 -11.118 -6.944 -8.738 1.00 0.00 O ATOM 778 CB GLN A 53 -8.139 -6.089 -9.977 1.00 0.00 C ATOM 779 CG GLN A 53 -9.148 -5.751 -11.073 1.00 0.00 C ATOM 780 CD GLN A 53 -9.933 -4.475 -10.821 1.00 0.00 C ATOM 781 OE1 GLN A 53 -10.181 -4.084 -9.683 1.00 0.00 O ATOM 782 NE2 GLN A 53 -10.350 -3.826 -11.895 1.00 0.00 N ATOM 0 H GLN A 53 -6.802 -7.020 -8.138 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.122 -5.591 -8.112 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.488 -5.229 -9.823 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.509 -6.909 -10.322 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.620 -5.659 -12.022 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.847 -6.581 -11.177 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.125 -4.181 -12.825 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.897 -2.971 -11.794 1.00 0.00 H new ATOM 791 N ASP A 54 -9.732 -8.647 -9.188 1.00 0.00 N ATOM 792 CA ASP A 54 -10.829 -9.558 -9.520 1.00 0.00 C ATOM 793 C ASP A 54 -11.282 -10.363 -8.299 1.00 0.00 C ATOM 794 O ASP A 54 -12.344 -10.989 -8.313 1.00 0.00 O ATOM 795 CB ASP A 54 -10.440 -10.496 -10.674 1.00 0.00 C ATOM 796 CG ASP A 54 -9.882 -11.836 -10.221 1.00 0.00 C ATOM 797 OD1 ASP A 54 -8.690 -11.905 -9.843 1.00 0.00 O ATOM 798 OD2 ASP A 54 -10.625 -12.834 -10.278 1.00 0.00 O ATOM 0 H ASP A 54 -8.801 -9.062 -9.232 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.670 -8.946 -9.846 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.317 -10.671 -11.297 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.699 -9.998 -11.299 1.00 0.00 H new ATOM 803 N LYS A 55 -10.471 -10.310 -7.246 1.00 0.00 N ATOM 804 CA LYS A 55 -10.719 -11.034 -6.000 1.00 0.00 C ATOM 805 C LYS A 55 -10.785 -12.540 -6.241 1.00 0.00 C ATOM 806 O LYS A 55 -11.812 -13.194 -6.047 1.00 0.00 O ATOM 807 CB LYS A 55 -11.966 -10.519 -5.276 1.00 0.00 C ATOM 808 CG LYS A 55 -12.168 -11.166 -3.914 1.00 0.00 C ATOM 809 CD LYS A 55 -13.212 -10.441 -3.086 1.00 0.00 C ATOM 810 CE LYS A 55 -13.436 -11.141 -1.757 1.00 0.00 C ATOM 811 NZ LYS A 55 -14.290 -10.338 -0.845 1.00 0.00 N ATOM 0 H LYS A 55 -9.614 -9.758 -7.232 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.873 -10.843 -5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.888 -9.439 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.843 -10.706 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.470 -12.205 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.221 -11.176 -3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.893 -9.414 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.150 -10.393 -3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.903 -12.110 -1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.474 -11.331 -1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.600 -10.930 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.746 -9.529 -0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.122 -9.992 -1.364 1.00 0.00 H new ATOM 825 N SER A 56 -9.662 -13.076 -6.676 1.00 0.00 N ATOM 826 CA SER A 56 -9.522 -14.495 -6.939 1.00 0.00 C ATOM 827 C SER A 56 -8.688 -15.141 -5.835 1.00 0.00 C ATOM 828 O SER A 56 -8.114 -16.214 -6.027 1.00 0.00 O ATOM 829 CB SER A 56 -8.857 -14.683 -8.305 1.00 0.00 C ATOM 830 OG SER A 56 -8.622 -16.046 -8.603 1.00 0.00 O ATOM 0 H SER A 56 -8.816 -12.536 -6.858 1.00 0.00 H new ATOM 0 HA SER A 56 -10.501 -14.974 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.490 -14.248 -9.078 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.912 -14.141 -8.325 1.00 0.00 H new ATOM 0 HG SER A 56 -8.401 -16.528 -7.779 1.00 0.00 H new ATOM 836 N ASP A 57 -8.620 -14.447 -4.690 1.00 0.00 N ATOM 837 CA ASP A 57 -7.803 -14.831 -3.521 1.00 0.00 C ATOM 838 C ASP A 57 -6.344 -15.096 -3.907 1.00 0.00 C ATOM 839 O ASP A 57 -5.571 -15.678 -3.141 1.00 0.00 O ATOM 840 CB ASP A 57 -8.410 -16.004 -2.713 1.00 0.00 C ATOM 841 CG ASP A 57 -8.554 -17.312 -3.471 1.00 0.00 C ATOM 842 OD1 ASP A 57 -7.574 -18.083 -3.544 1.00 0.00 O ATOM 843 OD2 ASP A 57 -9.669 -17.597 -3.967 1.00 0.00 O ATOM 0 H ASP A 57 -9.142 -13.583 -4.544 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.812 -13.971 -2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.787 -16.179 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.393 -15.703 -2.351 1.00 0.00 H new ATOM 848 N PHE A 58 -5.979 -14.596 -5.081 1.00 0.00 N ATOM 849 CA PHE A 58 -4.623 -14.658 -5.604 1.00 0.00 C ATOM 850 C PHE A 58 -4.395 -13.448 -6.490 1.00 0.00 C ATOM 851 O PHE A 58 -5.035 -13.300 -7.534 1.00 0.00 O ATOM 852 CB PHE A 58 -4.378 -15.942 -6.406 1.00 0.00 C ATOM 853 CG PHE A 58 -4.051 -17.140 -5.559 1.00 0.00 C ATOM 854 CD1 PHE A 58 -2.843 -17.213 -4.882 1.00 0.00 C ATOM 855 CD2 PHE A 58 -4.943 -18.192 -5.444 1.00 0.00 C ATOM 856 CE1 PHE A 58 -2.534 -18.313 -4.106 1.00 0.00 C ATOM 857 CE2 PHE A 58 -4.639 -19.294 -4.669 1.00 0.00 C ATOM 858 CZ PHE A 58 -3.432 -19.355 -3.999 1.00 0.00 C ATOM 0 H PHE A 58 -6.632 -14.127 -5.708 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.926 -14.661 -4.766 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.265 -16.162 -7.000 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.560 -15.770 -7.106 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.136 -16.401 -4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.887 -18.151 -5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.590 -18.357 -3.583 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.344 -20.108 -4.587 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.192 -20.216 -3.393 1.00 0.00 H new ATOM 868 N VAL A 59 -3.484 -12.594 -6.073 1.00 0.00 N ATOM 869 CA VAL A 59 -3.276 -11.318 -6.728 1.00 0.00 C ATOM 870 C VAL A 59 -2.174 -11.406 -7.780 1.00 0.00 C ATOM 871 O VAL A 59 -0.988 -11.334 -7.459 1.00 0.00 O ATOM 872 CB VAL A 59 -2.922 -10.241 -5.695 1.00 0.00 C ATOM 873 CG1 VAL A 59 -2.759 -8.893 -6.350 1.00 0.00 C ATOM 874 CG2 VAL A 59 -3.971 -10.189 -4.600 1.00 0.00 C ATOM 0 H VAL A 59 -2.870 -12.762 -5.276 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.205 -11.047 -7.229 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.967 -10.506 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.508 -8.149 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.960 -8.942 -7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.691 -8.612 -6.841 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.703 -9.419 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.942 -9.954 -5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.023 -11.156 -4.099 1.00 0.00 H new ATOM 884 N GLU A 60 -2.575 -11.559 -9.035 1.00 0.00 N ATOM 885 CA GLU A 60 -1.631 -11.685 -10.139 1.00 0.00 C ATOM 886 C GLU A 60 -1.171 -10.313 -10.640 1.00 0.00 C ATOM 887 O GLU A 60 -1.494 -9.292 -10.041 1.00 0.00 O ATOM 888 CB GLU A 60 -2.260 -12.478 -11.279 1.00 0.00 C ATOM 889 CG GLU A 60 -2.581 -13.914 -10.907 1.00 0.00 C ATOM 890 CD GLU A 60 -1.343 -14.723 -10.587 1.00 0.00 C ATOM 891 OE1 GLU A 60 -0.326 -14.572 -11.299 1.00 0.00 O ATOM 892 OE2 GLU A 60 -1.378 -15.518 -9.626 1.00 0.00 O ATOM 0 H GLU A 60 -3.555 -11.599 -9.316 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.754 -12.219 -9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.175 -11.979 -11.597 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.582 -12.474 -12.132 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.248 -13.922 -10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.117 -14.387 -11.730 1.00 0.00 H new ATOM 899 N GLU A 61 -0.415 -10.283 -11.728 1.00 0.00 N ATOM 900 CA GLU A 61 0.050 -9.014 -12.282 1.00 0.00 C ATOM 901 C GLU A 61 -1.102 -8.259 -12.941 1.00 0.00 C ATOM 902 O GLU A 61 -1.179 -7.030 -12.856 1.00 0.00 O ATOM 903 CB GLU A 61 1.182 -9.243 -13.285 1.00 0.00 C ATOM 904 CG GLU A 61 1.806 -7.956 -13.799 1.00 0.00 C ATOM 905 CD GLU A 61 2.950 -8.202 -14.757 1.00 0.00 C ATOM 906 OE1 GLU A 61 3.966 -8.795 -14.338 1.00 0.00 O ATOM 907 OE2 GLU A 61 2.846 -7.793 -15.928 1.00 0.00 O ATOM 0 H GLU A 61 -0.112 -11.111 -12.241 1.00 0.00 H new ATOM 0 HA GLU A 61 0.435 -8.407 -11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.956 -9.850 -12.815 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.798 -9.814 -14.130 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.041 -7.361 -14.298 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.165 -7.369 -12.954 1.00 0.00 H new ATOM 914 N ASP A 62 -2.014 -8.998 -13.575 1.00 0.00 N ATOM 915 CA ASP A 62 -3.200 -8.390 -14.180 1.00 0.00 C ATOM 916 C ASP A 62 -4.053 -7.741 -13.105 1.00 0.00 C ATOM 917 O ASP A 62 -4.834 -6.828 -13.377 1.00 0.00 O ATOM 918 CB ASP A 62 -4.029 -9.413 -14.972 1.00 0.00 C ATOM 919 CG ASP A 62 -4.546 -10.564 -14.127 1.00 0.00 C ATOM 920 OD1 ASP A 62 -5.663 -10.454 -13.574 1.00 0.00 O ATOM 921 OD2 ASP A 62 -3.843 -11.595 -14.033 1.00 0.00 O ATOM 0 H ASP A 62 -1.955 -10.011 -13.682 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.862 -7.630 -14.884 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.875 -8.903 -15.433 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.419 -9.813 -15.782 1.00 0.00 H new ATOM 926 N GLU A 63 -3.884 -8.217 -11.880 1.00 0.00 N ATOM 927 CA GLU A 63 -4.496 -7.597 -10.724 1.00 0.00 C ATOM 928 C GLU A 63 -3.939 -6.198 -10.534 1.00 0.00 C ATOM 929 O GLU A 63 -4.673 -5.222 -10.586 1.00 0.00 O ATOM 930 CB GLU A 63 -4.215 -8.414 -9.472 1.00 0.00 C ATOM 931 CG GLU A 63 -5.426 -9.102 -8.888 1.00 0.00 C ATOM 932 CD GLU A 63 -5.983 -10.174 -9.774 1.00 0.00 C ATOM 933 OE1 GLU A 63 -5.427 -11.281 -9.809 1.00 0.00 O ATOM 934 OE2 GLU A 63 -7.018 -9.962 -10.412 1.00 0.00 O ATOM 0 H GLU A 63 -3.321 -9.040 -11.665 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.572 -7.549 -10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.463 -9.167 -9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.785 -7.759 -8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.159 -9.538 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.201 -8.359 -8.697 1.00 0.00 H new ATOM 941 N LEU A 64 -2.620 -6.119 -10.364 1.00 0.00 N ATOM 942 CA LEU A 64 -1.939 -4.863 -10.060 1.00 0.00 C ATOM 943 C LEU A 64 -2.118 -3.837 -11.166 1.00 0.00 C ATOM 944 O LEU A 64 -1.914 -2.645 -10.956 1.00 0.00 O ATOM 945 CB LEU A 64 -0.448 -5.095 -9.809 1.00 0.00 C ATOM 946 CG LEU A 64 -0.077 -5.519 -8.386 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.476 -4.455 -7.382 1.00 0.00 C ATOM 948 CD2 LEU A 64 -0.720 -6.847 -8.033 1.00 0.00 C ATOM 0 H LEU A 64 -1.995 -6.922 -10.433 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.398 -4.468 -9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.096 -5.860 -10.501 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.090 -4.177 -10.048 1.00 0.00 H new ATOM 0 HG LEU A 64 1.006 -5.639 -8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.202 -4.780 -6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.040 -3.523 -7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.553 -4.295 -7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.442 -7.127 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.804 -6.756 -8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.377 -7.614 -8.728 1.00 0.00 H new ATOM 960 N LYS A 65 -2.475 -4.301 -12.346 1.00 0.00 N ATOM 961 CA LYS A 65 -2.737 -3.400 -13.448 1.00 0.00 C ATOM 962 C LYS A 65 -3.948 -2.531 -13.156 1.00 0.00 C ATOM 963 O LYS A 65 -3.870 -1.306 -13.181 1.00 0.00 O ATOM 964 CB LYS A 65 -2.942 -4.182 -14.751 1.00 0.00 C ATOM 965 CG LYS A 65 -1.718 -4.213 -15.659 1.00 0.00 C ATOM 966 CD LYS A 65 -0.451 -4.534 -14.885 1.00 0.00 C ATOM 967 CE LYS A 65 0.760 -4.645 -15.798 1.00 0.00 C ATOM 968 NZ LYS A 65 0.624 -5.752 -16.781 1.00 0.00 N ATOM 0 H LYS A 65 -2.590 -5.291 -12.565 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.869 -2.752 -13.568 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.225 -5.206 -14.507 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.776 -3.742 -15.298 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.865 -4.957 -16.442 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.607 -3.248 -16.154 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.274 -3.758 -14.141 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.584 -5.471 -14.343 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.899 -3.704 -16.330 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.654 -4.805 -15.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.451 -6.379 -16.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.239 -6.295 -16.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.564 -5.358 -17.742 1.00 0.00 H new ATOM 982 N LEU A 66 -5.074 -3.163 -12.892 1.00 0.00 N ATOM 983 CA LEU A 66 -6.308 -2.433 -12.671 1.00 0.00 C ATOM 984 C LEU A 66 -6.679 -2.355 -11.193 1.00 0.00 C ATOM 985 O LEU A 66 -7.733 -1.823 -10.832 1.00 0.00 O ATOM 986 CB LEU A 66 -7.413 -3.051 -13.512 1.00 0.00 C ATOM 987 CG LEU A 66 -7.067 -3.115 -15.001 1.00 0.00 C ATOM 988 CD1 LEU A 66 -8.217 -3.697 -15.804 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.680 -1.729 -15.515 1.00 0.00 C ATOM 0 H LEU A 66 -5.161 -4.177 -12.825 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.164 -1.400 -12.987 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.618 -4.058 -13.149 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.328 -2.473 -13.382 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.211 -3.778 -15.128 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.944 -3.731 -16.859 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.432 -4.706 -15.452 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.101 -3.072 -15.678 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.436 -1.789 -16.576 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.514 -1.042 -15.373 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.813 -1.365 -14.964 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.800 -2.862 -10.333 1.00 0.00 N ATOM 1002 CA PHE A 67 -6.025 -2.802 -8.890 1.00 0.00 C ATOM 1003 C PHE A 67 -6.097 -1.341 -8.467 1.00 0.00 C ATOM 1004 O PHE A 67 -6.745 -0.978 -7.485 1.00 0.00 O ATOM 1005 CB PHE A 67 -4.905 -3.533 -8.125 1.00 0.00 C ATOM 1006 CG PHE A 67 -3.864 -2.637 -7.496 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -2.833 -2.100 -8.245 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -3.922 -2.341 -6.148 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -1.882 -1.285 -7.661 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -2.976 -1.527 -5.555 1.00 0.00 C ATOM 1011 CZ PHE A 67 -1.954 -0.998 -6.313 1.00 0.00 C ATOM 0 H PHE A 67 -4.929 -3.317 -10.607 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.963 -3.302 -8.650 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.359 -4.141 -7.342 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.406 -4.217 -8.811 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.770 -2.320 -9.300 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.720 -2.753 -5.548 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.083 -0.873 -8.259 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.037 -1.306 -4.500 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.212 -0.361 -5.854 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.428 -0.506 -9.249 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.411 0.925 -9.029 1.00 0.00 C ATOM 1023 C LEU A 68 -6.790 1.505 -9.241 1.00 0.00 C ATOM 1024 O LEU A 68 -7.214 2.401 -8.521 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.428 1.574 -9.993 1.00 0.00 C ATOM 1026 CG LEU A 68 -3.042 0.943 -10.001 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.564 0.753 -11.427 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.063 1.801 -9.217 1.00 0.00 C ATOM 0 H LEU A 68 -4.881 -0.807 -10.056 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.102 1.122 -8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.841 1.526 -11.001 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.332 2.629 -9.738 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.099 -0.034 -9.521 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.572 0.301 -11.421 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.257 0.101 -11.959 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.519 1.720 -11.928 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.078 1.335 -9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.004 2.791 -9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.404 1.893 -8.186 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.492 0.966 -10.225 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.850 1.388 -10.519 1.00 0.00 C ATOM 1042 C GLN A 69 -9.803 0.833 -9.471 1.00 0.00 C ATOM 1043 O GLN A 69 -10.945 1.274 -9.350 1.00 0.00 O ATOM 1044 CB GLN A 69 -9.254 0.927 -11.917 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.426 1.566 -13.017 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.584 3.075 -13.062 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -9.626 3.616 -12.690 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -7.558 3.764 -13.534 1.00 0.00 N ATOM 0 H GLN A 69 -7.139 0.230 -10.837 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.900 2.476 -10.491 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.155 -0.157 -11.979 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.306 1.160 -12.080 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.375 1.318 -12.867 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.718 1.145 -13.979 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.712 3.279 -13.832 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.613 4.780 -13.600 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.313 -0.138 -8.713 1.00 0.00 N ATOM 1058 CA ASN A 70 -10.066 -0.694 -7.592 1.00 0.00 C ATOM 1059 C ASN A 70 -9.820 0.157 -6.347 1.00 0.00 C ATOM 1060 O ASN A 70 -10.590 0.130 -5.384 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.634 -2.145 -7.344 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.502 -2.874 -6.332 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -11.697 -2.605 -6.203 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -9.905 -3.813 -5.614 1.00 0.00 N ATOM 0 H ASN A 70 -8.395 -0.560 -8.853 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.131 -0.685 -7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.657 -2.689 -8.288 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.601 -2.153 -6.997 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.437 -4.343 -4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.913 -4.006 -5.751 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.732 0.919 -6.390 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.339 1.785 -5.286 1.00 0.00 C ATOM 1073 C PHE A 71 -8.823 3.220 -5.526 1.00 0.00 C ATOM 1074 O PHE A 71 -9.166 3.935 -4.586 1.00 0.00 O ATOM 1075 CB PHE A 71 -6.811 1.750 -5.146 1.00 0.00 C ATOM 1076 CG PHE A 71 -6.284 2.138 -3.790 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -6.896 1.685 -2.633 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -5.153 2.930 -3.676 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -6.391 2.013 -1.389 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -4.647 3.265 -2.434 1.00 0.00 C ATOM 1081 CZ PHE A 71 -5.267 2.806 -1.290 1.00 0.00 C ATOM 0 H PHE A 71 -8.100 0.953 -7.190 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.798 1.428 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.463 0.744 -5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.378 2.417 -5.891 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.779 1.068 -2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.661 3.290 -4.568 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.876 1.649 -0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.767 3.886 -2.359 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.873 3.067 -0.319 1.00 0.00 H new ATOM 1091 N SER A 72 -8.850 3.624 -6.794 1.00 0.00 N ATOM 1092 CA SER A 72 -9.273 4.967 -7.179 1.00 0.00 C ATOM 1093 C SER A 72 -9.586 5.016 -8.677 1.00 0.00 C ATOM 1094 O SER A 72 -9.021 4.256 -9.461 1.00 0.00 O ATOM 1095 CB SER A 72 -8.173 5.971 -6.833 1.00 0.00 C ATOM 1096 OG SER A 72 -6.914 5.513 -7.293 1.00 0.00 O ATOM 0 H SER A 72 -8.580 3.032 -7.580 1.00 0.00 H new ATOM 0 HA SER A 72 -10.178 5.227 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.401 6.937 -7.283 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.138 6.123 -5.754 1.00 0.00 H new ATOM 0 HG SER A 72 -6.303 5.418 -6.533 1.00 0.00 H new ATOM 1102 N ALA A 73 -10.487 5.908 -9.073 1.00 0.00 N ATOM 1103 CA ALA A 73 -10.921 5.986 -10.465 1.00 0.00 C ATOM 1104 C ALA A 73 -10.012 6.891 -11.290 1.00 0.00 C ATOM 1105 O ALA A 73 -10.056 6.873 -12.521 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.361 6.469 -10.545 1.00 0.00 C ATOM 0 H ALA A 73 -10.931 6.586 -8.453 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.858 4.983 -10.886 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.670 6.522 -11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.008 5.774 -10.010 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.439 7.458 -10.093 1.00 0.00 H new ATOM 1112 N GLY A 74 -9.195 7.685 -10.614 1.00 0.00 N ATOM 1113 CA GLY A 74 -8.292 8.581 -11.311 1.00 0.00 C ATOM 1114 C GLY A 74 -6.858 8.096 -11.282 1.00 0.00 C ATOM 1115 O GLY A 74 -5.926 8.869 -11.510 1.00 0.00 O ATOM 0 H GLY A 74 -9.140 7.726 -9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.616 8.685 -12.346 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.347 9.571 -10.859 1.00 0.00 H new ATOM 1119 N ALA A 75 -6.678 6.814 -11.008 1.00 0.00 N ATOM 1120 CA ALA A 75 -5.346 6.236 -10.928 1.00 0.00 C ATOM 1121 C ALA A 75 -4.792 5.928 -12.314 1.00 0.00 C ATOM 1122 O ALA A 75 -5.515 5.972 -13.311 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.365 4.982 -10.075 1.00 0.00 C ATOM 0 H ALA A 75 -7.437 6.154 -10.837 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.689 6.970 -10.461 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.361 4.561 -10.025 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.705 5.231 -9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.043 4.252 -10.517 1.00 0.00 H new ATOM 1129 N ARG A 76 -3.502 5.630 -12.368 1.00 0.00 N ATOM 1130 CA ARG A 76 -2.822 5.337 -13.618 1.00 0.00 C ATOM 1131 C ARG A 76 -2.342 3.892 -13.601 1.00 0.00 C ATOM 1132 O ARG A 76 -1.713 3.470 -12.634 1.00 0.00 O ATOM 1133 CB ARG A 76 -1.615 6.264 -13.803 1.00 0.00 C ATOM 1134 CG ARG A 76 -1.829 7.694 -13.320 1.00 0.00 C ATOM 1135 CD ARG A 76 -2.624 8.537 -14.304 1.00 0.00 C ATOM 1136 NE ARG A 76 -4.020 8.123 -14.423 1.00 0.00 N ATOM 1137 CZ ARG A 76 -4.980 8.891 -14.938 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -4.691 10.100 -15.405 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -6.227 8.440 -14.994 1.00 0.00 N ATOM 0 H ARG A 76 -2.899 5.585 -11.547 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.518 5.494 -14.442 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.763 5.839 -13.272 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.351 6.288 -14.860 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.349 7.675 -12.362 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.860 8.163 -13.147 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.587 9.580 -13.991 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.151 8.482 -15.284 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.275 7.192 -14.093 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.731 10.444 -15.370 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.429 10.685 -15.798 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.449 7.508 -14.643 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.964 9.025 -15.388 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.635 3.140 -14.654 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.247 1.735 -14.713 1.00 0.00 C ATOM 1155 C ALA A 77 -0.747 1.576 -14.931 1.00 0.00 C ATOM 1156 O ALA A 77 -0.169 2.165 -15.850 1.00 0.00 O ATOM 1157 CB ALA A 77 -3.016 1.000 -15.796 1.00 0.00 C ATOM 0 H ALA A 77 -3.137 3.476 -15.475 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.497 1.292 -13.749 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.706 -0.045 -15.817 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.084 1.058 -15.587 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.811 1.459 -16.763 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.130 0.782 -14.072 1.00 0.00 N ATOM 1164 CA LEU A 78 1.293 0.482 -14.166 1.00 0.00 C ATOM 1165 C LEU A 78 1.531 -0.579 -15.234 1.00 0.00 C ATOM 1166 O LEU A 78 0.662 -1.421 -15.470 1.00 0.00 O ATOM 1167 CB LEU A 78 1.819 -0.026 -12.816 1.00 0.00 C ATOM 1168 CG LEU A 78 2.103 1.035 -11.740 1.00 0.00 C ATOM 1169 CD1 LEU A 78 0.873 1.871 -11.433 1.00 0.00 C ATOM 1170 CD2 LEU A 78 2.605 0.362 -10.472 1.00 0.00 C ATOM 0 H LEU A 78 -0.599 0.326 -13.289 1.00 0.00 H new ATOM 0 HA LEU A 78 1.824 1.395 -14.436 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.094 -0.733 -12.413 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.739 -0.581 -12.997 1.00 0.00 H new ATOM 0 HG LEU A 78 2.869 1.706 -12.128 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.116 2.609 -10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.545 2.382 -12.338 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.074 1.224 -11.072 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.805 1.119 -9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.848 -0.331 -10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.522 -0.185 -10.689 1.00 0.00 H new ATOM 1182 N SER A 79 2.696 -0.531 -15.884 1.00 0.00 N ATOM 1183 CA SER A 79 3.064 -1.540 -16.874 1.00 0.00 C ATOM 1184 C SER A 79 4.459 -1.304 -17.432 1.00 0.00 C ATOM 1185 O SER A 79 4.628 -0.853 -18.568 1.00 0.00 O ATOM 1186 CB SER A 79 2.042 -1.577 -18.012 1.00 0.00 C ATOM 1187 OG SER A 79 1.723 -0.259 -18.442 1.00 0.00 O ATOM 0 H SER A 79 3.398 0.195 -15.742 1.00 0.00 H new ATOM 0 HA SER A 79 3.067 -2.504 -16.366 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.441 -2.151 -18.848 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.137 -2.086 -17.679 1.00 0.00 H new ATOM 0 HG SER A 79 2.543 0.203 -18.716 1.00 0.00 H new ATOM 1193 N ASP A 80 5.441 -1.641 -16.621 1.00 0.00 N ATOM 1194 CA ASP A 80 6.843 -1.496 -16.961 1.00 0.00 C ATOM 1195 C ASP A 80 7.651 -1.912 -15.745 1.00 0.00 C ATOM 1196 O ASP A 80 7.224 -2.794 -14.996 1.00 0.00 O ATOM 1197 CB ASP A 80 7.151 -0.046 -17.370 1.00 0.00 C ATOM 1198 CG ASP A 80 8.503 0.120 -18.032 1.00 0.00 C ATOM 1199 OD1 ASP A 80 8.651 -0.277 -19.206 1.00 0.00 O ATOM 1200 OD2 ASP A 80 9.425 0.650 -17.376 1.00 0.00 O ATOM 0 H ASP A 80 5.285 -2.030 -15.691 1.00 0.00 H new ATOM 0 HA ASP A 80 7.102 -2.125 -17.812 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.376 0.303 -18.052 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.108 0.590 -16.486 1.00 0.00 H new ATOM 1205 N ALA A 81 8.784 -1.276 -15.523 1.00 0.00 N ATOM 1206 CA ALA A 81 9.645 -1.632 -14.417 1.00 0.00 C ATOM 1207 C ALA A 81 8.990 -1.332 -13.073 1.00 0.00 C ATOM 1208 O ALA A 81 9.404 -1.865 -12.044 1.00 0.00 O ATOM 1209 CB ALA A 81 10.979 -0.909 -14.528 1.00 0.00 C ATOM 0 H ALA A 81 9.129 -0.507 -16.097 1.00 0.00 H new ATOM 0 HA ALA A 81 9.818 -2.707 -14.468 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.615 -1.188 -13.688 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.468 -1.188 -15.462 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.811 0.168 -14.514 1.00 0.00 H new ATOM 1215 N GLU A 82 7.940 -0.516 -13.075 1.00 0.00 N ATOM 1216 CA GLU A 82 7.393 -0.030 -11.826 1.00 0.00 C ATOM 1217 C GLU A 82 6.427 -1.054 -11.257 1.00 0.00 C ATOM 1218 O GLU A 82 6.331 -1.208 -10.042 1.00 0.00 O ATOM 1219 CB GLU A 82 6.736 1.350 -11.985 1.00 0.00 C ATOM 1220 CG GLU A 82 5.397 1.361 -12.705 1.00 0.00 C ATOM 1221 CD GLU A 82 5.480 0.842 -14.116 1.00 0.00 C ATOM 1222 OE1 GLU A 82 5.847 1.615 -15.024 1.00 0.00 O ATOM 1223 OE2 GLU A 82 5.183 -0.348 -14.316 1.00 0.00 O ATOM 0 H GLU A 82 7.463 -0.186 -13.914 1.00 0.00 H new ATOM 0 HA GLU A 82 8.212 0.104 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.599 1.784 -10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.424 2.000 -12.525 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.684 0.757 -12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.008 2.379 -12.721 1.00 0.00 H new ATOM 1230 N THR A 83 5.730 -1.776 -12.133 1.00 0.00 N ATOM 1231 CA THR A 83 4.924 -2.897 -11.687 1.00 0.00 C ATOM 1232 C THR A 83 5.848 -3.983 -11.155 1.00 0.00 C ATOM 1233 O THR A 83 5.550 -4.627 -10.161 1.00 0.00 O ATOM 1234 CB THR A 83 4.056 -3.492 -12.812 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.678 -2.475 -13.749 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.798 -4.128 -12.235 1.00 0.00 C ATOM 0 H THR A 83 5.710 -1.604 -13.138 1.00 0.00 H new ATOM 0 HA THR A 83 4.250 -2.529 -10.913 1.00 0.00 H new ATOM 0 HB THR A 83 4.646 -4.253 -13.323 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.810 -2.701 -14.144 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.197 -4.543 -13.044 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.077 -4.924 -11.544 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.219 -3.373 -11.703 1.00 0.00 H new ATOM 1244 N LYS A 84 6.992 -4.148 -11.817 1.00 0.00 N ATOM 1245 CA LYS A 84 7.973 -5.153 -11.433 1.00 0.00 C ATOM 1246 C LYS A 84 8.450 -4.930 -10.002 1.00 0.00 C ATOM 1247 O LYS A 84 8.290 -5.795 -9.141 1.00 0.00 O ATOM 1248 CB LYS A 84 9.177 -5.101 -12.378 1.00 0.00 C ATOM 1249 CG LYS A 84 8.846 -5.207 -13.862 1.00 0.00 C ATOM 1250 CD LYS A 84 8.418 -6.609 -14.279 1.00 0.00 C ATOM 1251 CE LYS A 84 6.928 -6.851 -14.076 1.00 0.00 C ATOM 1252 NZ LYS A 84 6.518 -8.188 -14.571 1.00 0.00 N ATOM 0 H LYS A 84 7.261 -3.592 -12.629 1.00 0.00 H new ATOM 0 HA LYS A 84 7.495 -6.131 -11.498 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.711 -4.166 -12.208 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.859 -5.910 -12.116 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.049 -4.504 -14.102 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.718 -4.911 -14.445 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.668 -6.764 -15.329 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.983 -7.343 -13.705 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.686 -6.765 -13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.360 -6.080 -14.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.592 -8.438 -14.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.452 -8.169 -15.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.223 -8.896 -14.282 1.00 0.00 H new ATOM 1266 N VAL A 85 9.018 -3.757 -9.754 1.00 0.00 N ATOM 1267 CA VAL A 85 9.581 -3.434 -8.447 1.00 0.00 C ATOM 1268 C VAL A 85 8.497 -3.384 -7.372 1.00 0.00 C ATOM 1269 O VAL A 85 8.699 -3.853 -6.253 1.00 0.00 O ATOM 1270 CB VAL A 85 10.337 -2.090 -8.484 1.00 0.00 C ATOM 1271 CG1 VAL A 85 10.977 -1.786 -7.136 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.388 -2.107 -9.586 1.00 0.00 C ATOM 0 H VAL A 85 9.102 -3.010 -10.443 1.00 0.00 H new ATOM 0 HA VAL A 85 10.285 -4.228 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 85 9.619 -1.299 -8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.503 -0.833 -7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.203 -1.730 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.683 -2.577 -6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.914 -1.153 -9.601 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.100 -2.911 -9.398 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.903 -2.270 -10.549 1.00 0.00 H new ATOM 1282 N PHE A 86 7.342 -2.833 -7.722 1.00 0.00 N ATOM 1283 CA PHE A 86 6.236 -2.723 -6.782 1.00 0.00 C ATOM 1284 C PHE A 86 5.668 -4.111 -6.450 1.00 0.00 C ATOM 1285 O PHE A 86 5.260 -4.360 -5.318 1.00 0.00 O ATOM 1286 CB PHE A 86 5.163 -1.778 -7.349 1.00 0.00 C ATOM 1287 CG PHE A 86 3.933 -1.621 -6.494 1.00 0.00 C ATOM 1288 CD1 PHE A 86 2.893 -2.536 -6.563 1.00 0.00 C ATOM 1289 CD2 PHE A 86 3.815 -0.547 -5.630 1.00 0.00 C ATOM 1290 CE1 PHE A 86 1.764 -2.377 -5.781 1.00 0.00 C ATOM 1291 CE2 PHE A 86 2.690 -0.386 -4.846 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.663 -1.302 -4.922 1.00 0.00 C ATOM 0 H PHE A 86 7.147 -2.456 -8.649 1.00 0.00 H new ATOM 0 HA PHE A 86 6.597 -2.295 -5.846 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.610 -0.795 -7.500 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.860 -2.144 -8.330 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.966 -3.380 -7.233 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.615 0.176 -5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.960 -3.095 -5.843 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.615 0.456 -4.174 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.781 -1.179 -4.311 1.00 0.00 H new ATOM 1302 N LEU A 87 5.667 -5.016 -7.429 1.00 0.00 N ATOM 1303 CA LEU A 87 5.267 -6.402 -7.186 1.00 0.00 C ATOM 1304 C LEU A 87 6.284 -7.096 -6.294 1.00 0.00 C ATOM 1305 O LEU A 87 5.929 -7.691 -5.281 1.00 0.00 O ATOM 1306 CB LEU A 87 5.140 -7.190 -8.494 1.00 0.00 C ATOM 1307 CG LEU A 87 3.898 -6.896 -9.337 1.00 0.00 C ATOM 1308 CD1 LEU A 87 3.992 -7.611 -10.674 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.636 -7.319 -8.602 1.00 0.00 C ATOM 0 H LEU A 87 5.937 -4.816 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 87 4.294 -6.376 -6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.023 -6.991 -9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.150 -8.254 -8.256 1.00 0.00 H new ATOM 0 HG LEU A 87 3.848 -5.822 -9.513 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.103 -7.395 -11.266 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.877 -7.266 -11.209 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.064 -8.686 -10.508 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.765 -7.101 -9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.676 -8.389 -8.396 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.561 -6.771 -7.663 1.00 0.00 H new ATOM 1321 N LYS A 88 7.550 -6.993 -6.672 1.00 0.00 N ATOM 1322 CA LYS A 88 8.628 -7.661 -5.954 1.00 0.00 C ATOM 1323 C LYS A 88 8.811 -7.093 -4.552 1.00 0.00 C ATOM 1324 O LYS A 88 9.449 -7.715 -3.705 1.00 0.00 O ATOM 1325 CB LYS A 88 9.930 -7.575 -6.750 1.00 0.00 C ATOM 1326 CG LYS A 88 9.887 -8.348 -8.055 1.00 0.00 C ATOM 1327 CD LYS A 88 9.756 -9.834 -7.787 1.00 0.00 C ATOM 1328 CE LYS A 88 9.753 -10.648 -9.070 1.00 0.00 C ATOM 1329 NZ LYS A 88 9.611 -12.102 -8.796 1.00 0.00 N ATOM 0 H LYS A 88 7.858 -6.449 -7.478 1.00 0.00 H new ATOM 0 HA LYS A 88 8.353 -8.710 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.150 -6.529 -6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.748 -7.954 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.047 -8.006 -8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.793 -8.154 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.579 -10.161 -7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.835 -10.023 -7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.935 -10.316 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.679 -10.469 -9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.151 -12.565 -9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.551 -12.521 -8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.031 -12.240 -7.944 1.00 0.00 H new ATOM 1343 N ALA A 89 8.261 -5.909 -4.313 1.00 0.00 N ATOM 1344 CA ALA A 89 8.236 -5.341 -2.971 1.00 0.00 C ATOM 1345 C ALA A 89 7.447 -6.250 -2.038 1.00 0.00 C ATOM 1346 O ALA A 89 7.738 -6.345 -0.847 1.00 0.00 O ATOM 1347 CB ALA A 89 7.625 -3.949 -2.989 1.00 0.00 C ATOM 0 H ALA A 89 7.828 -5.325 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 89 9.261 -5.260 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.616 -3.543 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.216 -3.300 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.604 -4.005 -3.367 1.00 0.00 H new ATOM 1353 N GLY A 90 6.448 -6.919 -2.599 1.00 0.00 N ATOM 1354 CA GLY A 90 5.656 -7.855 -1.837 1.00 0.00 C ATOM 1355 C GLY A 90 6.052 -9.282 -2.135 1.00 0.00 C ATOM 1356 O GLY A 90 6.297 -10.063 -1.217 1.00 0.00 O ATOM 0 H GLY A 90 6.173 -6.826 -3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.779 -7.656 -0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.600 -7.713 -2.068 1.00 0.00 H new ATOM 1360 N ASP A 91 6.140 -9.608 -3.424 1.00 0.00 N ATOM 1361 CA ASP A 91 6.530 -10.943 -3.864 1.00 0.00 C ATOM 1362 C ASP A 91 7.921 -11.291 -3.338 1.00 0.00 C ATOM 1363 O ASP A 91 8.936 -10.883 -3.907 1.00 0.00 O ATOM 1364 CB ASP A 91 6.548 -11.036 -5.387 1.00 0.00 C ATOM 1365 CG ASP A 91 7.156 -12.341 -5.863 1.00 0.00 C ATOM 1366 OD1 ASP A 91 7.088 -13.346 -5.122 1.00 0.00 O ATOM 1367 OD2 ASP A 91 7.729 -12.365 -6.974 1.00 0.00 O ATOM 0 H ASP A 91 5.944 -8.959 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 91 5.796 -11.645 -3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.531 -10.948 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.115 -10.200 -5.796 1.00 0.00 H new ATOM 1372 N SER A 92 7.965 -12.023 -2.245 1.00 0.00 N ATOM 1373 CA SER A 92 9.221 -12.443 -1.663 1.00 0.00 C ATOM 1374 C SER A 92 9.525 -13.875 -2.083 1.00 0.00 C ATOM 1375 O SER A 92 10.626 -14.385 -1.866 1.00 0.00 O ATOM 1376 CB SER A 92 9.148 -12.321 -0.141 1.00 0.00 C ATOM 1377 OG SER A 92 8.650 -11.042 0.235 1.00 0.00 O ATOM 0 H SER A 92 7.139 -12.341 -1.739 1.00 0.00 H new ATOM 0 HA SER A 92 10.027 -11.802 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.502 -13.101 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.138 -12.473 0.289 1.00 0.00 H new ATOM 0 HG SER A 92 7.784 -10.888 -0.197 1.00 0.00 H new ATOM 1383 N ASP A 93 8.539 -14.505 -2.714 1.00 0.00 N ATOM 1384 CA ASP A 93 8.643 -15.914 -3.097 1.00 0.00 C ATOM 1385 C ASP A 93 9.287 -16.056 -4.467 1.00 0.00 C ATOM 1386 O ASP A 93 9.789 -17.120 -4.826 1.00 0.00 O ATOM 1387 CB ASP A 93 7.265 -16.587 -3.147 1.00 0.00 C ATOM 1388 CG ASP A 93 6.399 -16.304 -1.940 1.00 0.00 C ATOM 1389 OD1 ASP A 93 6.721 -16.786 -0.836 1.00 0.00 O ATOM 1390 OD2 ASP A 93 5.377 -15.592 -2.099 1.00 0.00 O ATOM 0 H ASP A 93 7.657 -14.064 -2.972 1.00 0.00 H new ATOM 0 HA ASP A 93 9.258 -16.399 -2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.742 -16.254 -4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.401 -17.665 -3.239 1.00 0.00 H new ATOM 1395 N GLY A 94 9.260 -14.972 -5.230 1.00 0.00 N ATOM 1396 CA GLY A 94 9.704 -15.016 -6.604 1.00 0.00 C ATOM 1397 C GLY A 94 8.614 -15.562 -7.498 1.00 0.00 C ATOM 1398 O GLY A 94 8.883 -16.223 -8.499 1.00 0.00 O ATOM 0 H GLY A 94 8.935 -14.057 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.985 -14.016 -6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.594 -15.640 -6.684 1.00 0.00 H new ATOM 1402 N ASP A 95 7.375 -15.267 -7.132 1.00 0.00 N ATOM 1403 CA ASP A 95 6.211 -15.791 -7.834 1.00 0.00 C ATOM 1404 C ASP A 95 5.688 -14.801 -8.878 1.00 0.00 C ATOM 1405 O ASP A 95 4.907 -15.166 -9.760 1.00 0.00 O ATOM 1406 CB ASP A 95 5.102 -16.158 -6.835 1.00 0.00 C ATOM 1407 CG ASP A 95 4.731 -15.020 -5.896 1.00 0.00 C ATOM 1408 OD1 ASP A 95 4.428 -13.922 -6.374 1.00 0.00 O ATOM 1409 OD2 ASP A 95 4.728 -15.229 -4.660 1.00 0.00 O ATOM 0 H ASP A 95 7.148 -14.661 -6.344 1.00 0.00 H new ATOM 0 HA ASP A 95 6.521 -16.693 -8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.214 -16.467 -7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.425 -17.015 -6.244 1.00 0.00 H new ATOM 1414 N GLY A 96 6.124 -13.551 -8.772 1.00 0.00 N ATOM 1415 CA GLY A 96 5.765 -12.544 -9.757 1.00 0.00 C ATOM 1416 C GLY A 96 4.375 -11.977 -9.543 1.00 0.00 C ATOM 1417 O GLY A 96 3.724 -11.541 -10.496 1.00 0.00 O ATOM 0 H GLY A 96 6.723 -13.214 -8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.492 -11.733 -9.721 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.824 -12.981 -10.754 1.00 0.00 H new ATOM 1421 N LYS A 97 3.920 -11.986 -8.301 1.00 0.00 N ATOM 1422 CA LYS A 97 2.590 -11.513 -7.959 1.00 0.00 C ATOM 1423 C LYS A 97 2.604 -10.917 -6.564 1.00 0.00 C ATOM 1424 O LYS A 97 3.630 -10.916 -5.890 1.00 0.00 O ATOM 1425 CB LYS A 97 1.599 -12.677 -8.012 1.00 0.00 C ATOM 1426 CG LYS A 97 1.571 -13.527 -6.745 1.00 0.00 C ATOM 1427 CD LYS A 97 0.789 -14.819 -6.958 1.00 0.00 C ATOM 1428 CE LYS A 97 1.459 -15.733 -7.975 1.00 0.00 C ATOM 1429 NZ LYS A 97 0.568 -16.847 -8.391 1.00 0.00 N ATOM 0 H LYS A 97 4.461 -12.321 -7.504 1.00 0.00 H new ATOM 0 HA LYS A 97 2.285 -10.749 -8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.600 -12.282 -8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.849 -13.315 -8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.591 -13.763 -6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.120 -12.957 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.692 -15.344 -6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.220 -14.580 -7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.747 -15.152 -8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.375 -16.141 -7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.125 -17.570 -8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.125 -17.270 -7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.171 -16.482 -9.025 1.00 0.00 H new ATOM 1443 N ILE A 98 1.470 -10.411 -6.133 1.00 0.00 N ATOM 1444 CA ILE A 98 1.355 -9.896 -4.792 1.00 0.00 C ATOM 1445 C ILE A 98 0.614 -10.873 -3.905 1.00 0.00 C ATOM 1446 O ILE A 98 -0.591 -11.076 -4.053 1.00 0.00 O ATOM 1447 CB ILE A 98 0.649 -8.523 -4.756 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.576 -7.438 -5.288 1.00 0.00 C ATOM 1449 CG2 ILE A 98 0.189 -8.178 -3.349 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.879 -7.324 -4.528 1.00 0.00 C ATOM 0 H ILE A 98 0.619 -10.346 -6.691 1.00 0.00 H new ATOM 0 HA ILE A 98 2.369 -9.763 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.232 -8.581 -5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.794 -7.641 -6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.058 -6.480 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.304 -7.206 -3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.510 -8.937 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.051 -8.143 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.486 -6.531 -4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.672 -7.090 -3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.419 -8.269 -4.588 1.00 0.00 H new ATOM 1462 N GLY A 99 1.344 -11.509 -3.010 1.00 0.00 N ATOM 1463 CA GLY A 99 0.696 -12.230 -1.951 1.00 0.00 C ATOM 1464 C GLY A 99 -0.008 -11.252 -1.046 1.00 0.00 C ATOM 1465 O GLY A 99 0.535 -10.190 -0.747 1.00 0.00 O ATOM 0 H GLY A 99 2.364 -11.538 -2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.019 -12.942 -2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.429 -12.806 -1.385 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.212 -11.580 -0.635 1.00 0.00 N ATOM 1470 CA VAL A 100 -2.009 -10.679 0.182 1.00 0.00 C ATOM 1471 C VAL A 100 -1.261 -10.301 1.464 1.00 0.00 C ATOM 1472 O VAL A 100 -1.124 -9.116 1.794 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.376 -11.318 0.496 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -4.113 -10.566 1.587 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.221 -11.389 -0.770 1.00 0.00 C ATOM 0 H VAL A 100 -1.667 -12.467 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.184 -9.760 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.196 -12.328 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.071 -11.049 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.516 -10.571 2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.282 -9.537 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.185 -11.842 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.377 -10.383 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.706 -11.993 -1.518 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.732 -11.301 2.154 1.00 0.00 N ATOM 1486 CA ASP A 101 0.060 -11.057 3.354 1.00 0.00 C ATOM 1487 C ASP A 101 1.389 -10.400 2.991 1.00 0.00 C ATOM 1488 O ASP A 101 1.931 -9.595 3.758 1.00 0.00 O ATOM 1489 CB ASP A 101 0.303 -12.361 4.113 1.00 0.00 C ATOM 1490 CG ASP A 101 1.168 -12.164 5.344 1.00 0.00 C ATOM 1491 OD1 ASP A 101 0.657 -11.660 6.368 1.00 0.00 O ATOM 1492 OD2 ASP A 101 2.364 -12.515 5.299 1.00 0.00 O ATOM 0 H ASP A 101 -0.835 -12.285 1.906 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.498 -10.380 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.655 -12.788 4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.781 -13.081 3.448 1.00 0.00 H new ATOM 1497 N GLU A 102 1.903 -10.737 1.809 1.00 0.00 N ATOM 1498 CA GLU A 102 3.142 -10.146 1.310 1.00 0.00 C ATOM 1499 C GLU A 102 2.976 -8.642 1.098 1.00 0.00 C ATOM 1500 O GLU A 102 3.894 -7.863 1.353 1.00 0.00 O ATOM 1501 CB GLU A 102 3.579 -10.810 -0.003 1.00 0.00 C ATOM 1502 CG GLU A 102 3.858 -12.302 0.115 1.00 0.00 C ATOM 1503 CD GLU A 102 4.589 -12.866 -1.093 1.00 0.00 C ATOM 1504 OE1 GLU A 102 3.936 -13.211 -2.109 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.824 -12.996 -1.033 1.00 0.00 O ATOM 0 H GLU A 102 1.479 -11.418 1.179 1.00 0.00 H new ATOM 0 HA GLU A 102 3.915 -10.315 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.802 -10.655 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.477 -10.312 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.452 -12.485 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.915 -12.834 0.243 1.00 0.00 H new ATOM 1512 N PHE A 103 1.795 -8.236 0.639 1.00 0.00 N ATOM 1513 CA PHE A 103 1.515 -6.827 0.403 1.00 0.00 C ATOM 1514 C PHE A 103 1.538 -6.059 1.715 1.00 0.00 C ATOM 1515 O PHE A 103 2.186 -5.016 1.818 1.00 0.00 O ATOM 1516 CB PHE A 103 0.162 -6.638 -0.282 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.028 -5.256 -0.843 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.586 -4.890 -2.028 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -0.811 -4.322 -0.186 1.00 0.00 C ATOM 1520 CE1 PHE A 103 0.424 -3.621 -2.550 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -0.979 -3.051 -0.703 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.360 -2.700 -1.886 1.00 0.00 C ATOM 0 H PHE A 103 1.020 -8.863 0.424 1.00 0.00 H new ATOM 0 HA PHE A 103 2.291 -6.439 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.064 -7.367 -1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.633 -6.845 0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.201 -5.607 -2.552 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.296 -4.590 0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.910 -3.351 -3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.594 -2.333 -0.182 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.489 -1.707 -2.291 1.00 0.00 H new ATOM 1532 N GLY A 104 0.839 -6.586 2.718 1.00 0.00 N ATOM 1533 CA GLY A 104 0.842 -5.960 4.031 1.00 0.00 C ATOM 1534 C GLY A 104 2.250 -5.756 4.559 1.00 0.00 C ATOM 1535 O GLY A 104 2.567 -4.712 5.140 1.00 0.00 O ATOM 0 H GLY A 104 0.273 -7.431 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.333 -4.998 3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.279 -6.579 4.729 1.00 0.00 H new ATOM 1539 N ALA A 105 3.103 -6.742 4.318 1.00 0.00 N ATOM 1540 CA ALA A 105 4.488 -6.688 4.759 1.00 0.00 C ATOM 1541 C ALA A 105 5.252 -5.569 4.057 1.00 0.00 C ATOM 1542 O ALA A 105 6.070 -4.896 4.679 1.00 0.00 O ATOM 1543 CB ALA A 105 5.169 -8.027 4.519 1.00 0.00 C ATOM 0 H ALA A 105 2.856 -7.595 3.815 1.00 0.00 H new ATOM 0 HA ALA A 105 4.493 -6.474 5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.205 -7.973 4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.648 -8.805 5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.143 -8.263 3.455 1.00 0.00 H new ATOM 1549 N MET A 106 4.970 -5.355 2.771 1.00 0.00 N ATOM 1550 CA MET A 106 5.668 -4.320 2.006 1.00 0.00 C ATOM 1551 C MET A 106 5.237 -2.929 2.468 1.00 0.00 C ATOM 1552 O MET A 106 5.975 -1.960 2.307 1.00 0.00 O ATOM 1553 CB MET A 106 5.415 -4.449 0.492 1.00 0.00 C ATOM 1554 CG MET A 106 4.273 -3.574 -0.013 1.00 0.00 C ATOM 1555 SD MET A 106 4.380 -3.186 -1.771 1.00 0.00 S ATOM 1556 CE MET A 106 3.981 -4.771 -2.492 1.00 0.00 C ATOM 0 H MET A 106 4.272 -5.877 2.242 1.00 0.00 H new ATOM 0 HA MET A 106 6.734 -4.458 2.188 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.327 -4.186 -0.044 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.195 -5.490 0.256 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.327 -4.079 0.182 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.261 -2.644 0.555 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.835 -5.137 -3.061 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.741 -5.481 -1.700 1.00 0.00 H new ATOM 0 HE3 MET A 106 3.123 -4.663 -3.155 1.00 0.00 H new ATOM 1566 N ILE A 107 4.039 -2.835 3.032 1.00 0.00 N ATOM 1567 CA ILE A 107 3.512 -1.558 3.492 1.00 0.00 C ATOM 1568 C ILE A 107 4.198 -1.163 4.784 1.00 0.00 C ATOM 1569 O ILE A 107 4.459 0.012 5.051 1.00 0.00 O ATOM 1570 CB ILE A 107 1.986 -1.626 3.724 1.00 0.00 C ATOM 1571 CG1 ILE A 107 1.279 -2.117 2.461 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.453 -0.264 4.131 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.212 -2.295 2.633 1.00 0.00 C ATOM 0 H ILE A 107 3.415 -3.628 3.181 1.00 0.00 H new ATOM 0 HA ILE A 107 3.707 -0.815 2.719 1.00 0.00 H new ATOM 0 HB ILE A 107 1.788 -2.332 4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.461 -1.408 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.717 -3.067 2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.377 -0.327 4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.939 0.056 5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.661 0.459 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.647 -2.645 1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.403 -3.027 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.663 -1.342 2.908 1.00 0.00 H new ATOM 1585 N LYS A 108 4.510 -2.176 5.565 1.00 0.00 N ATOM 1586 CA LYS A 108 5.144 -1.991 6.858 1.00 0.00 C ATOM 1587 C LYS A 108 6.675 -2.008 6.732 1.00 0.00 C ATOM 1588 O LYS A 108 7.393 -1.676 7.679 1.00 0.00 O ATOM 1589 CB LYS A 108 4.601 -3.071 7.812 1.00 0.00 C ATOM 1590 CG LYS A 108 5.440 -3.353 9.048 1.00 0.00 C ATOM 1591 CD LYS A 108 6.428 -4.482 8.797 1.00 0.00 C ATOM 1592 CE LYS A 108 7.257 -4.789 10.029 1.00 0.00 C ATOM 1593 NZ LYS A 108 8.057 -3.614 10.468 1.00 0.00 N ATOM 0 H LYS A 108 4.332 -3.151 5.324 1.00 0.00 H new ATOM 0 HA LYS A 108 4.902 -1.011 7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.603 -2.774 8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.491 -4.000 7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.980 -2.451 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.788 -3.615 9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 108 5.887 -5.377 8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.088 -4.211 7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.600 -5.103 10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.925 -5.624 9.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.767 -3.918 11.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.537 -3.194 9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.428 -2.908 10.900 1.00 0.00 H new ATOM 1607 N ALA A 109 7.167 -2.359 5.548 1.00 0.00 N ATOM 1608 CA ALA A 109 8.604 -2.405 5.297 1.00 0.00 C ATOM 1609 C ALA A 109 9.150 -1.013 4.992 1.00 0.00 C ATOM 1610 O ALA A 109 9.391 -0.248 5.944 1.00 0.00 O ATOM 1611 CB ALA A 109 8.912 -3.356 4.150 1.00 0.00 C ATOM 1612 OXT ALA A 109 9.330 -0.680 3.799 1.00 0.00 O ATOM 0 H ALA A 109 6.591 -2.616 4.746 1.00 0.00 H new ATOM 0 HA ALA A 109 9.094 -2.773 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.988 -3.379 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.564 -4.357 4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.405 -3.014 3.248 1.00 0.00 H new TER 1618 ALA A 109 HETATM 1619 CA CA A 201 -7.013 -12.045 -10.219 1.00 0.00 CA HETATM 1620 CA CA A 202 4.326 -14.605 -3.092 1.00 0.00 CA