USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 475 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.61) USER MOD Single : A 6 HIS : no HE2:sc= -6.88! C(o=-6.9!,f=-5.7!) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00581) USER MOD Single : A 13 ASN : amide:sc= -0.0932 X(o=-0.093,f=-0.43) USER MOD Single : A 14 MET CE :methyl 160:sc= -5.49! (180deg=-8.06!) USER MOD Single : A 15 THR OG1 : rot 90:sc= 0.256 USER MOD Single : A 17 HIS : no HD1:sc= -7.34! C(o=-7.3!,f=-5.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 110:sc= -4.96! USER MOD Single : A 36 CYS SG : rot 61:sc= -8.75! USER MOD Single : A 40 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0495 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= -0.164 (180deg=-0.164) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -156:sc= -16! (180deg=-20.2!) USER MOD Single : A 66 GLN : amide:sc= -7.07! C(o=-7.1!,f=-5.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.036 8.515 5.294 1.00 0.00 N ATOM 2 CA PRO A 1 -3.107 7.771 3.998 1.00 0.00 C ATOM 3 C PRO A 1 -3.692 6.378 4.235 1.00 0.00 C ATOM 4 O PRO A 1 -4.457 5.870 3.440 1.00 0.00 O ATOM 5 CB PRO A 1 -1.690 7.644 3.442 1.00 0.00 C ATOM 6 CG PRO A 1 -0.748 8.284 4.454 1.00 0.00 C ATOM 7 CD PRO A 1 -1.605 8.826 5.595 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.441 7.956 6.045 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.580 9.376 5.237 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.744 8.304 3.292 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -1.431 6.597 3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.610 8.141 2.475 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.031 7.553 4.827 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.174 9.086 3.990 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -1.309 8.373 6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -1.464 9.902 5.699 1.00 0.00 H new ATOM 17 N ILE A 2 -3.337 5.761 5.328 1.00 0.00 N ATOM 18 CA ILE A 2 -3.872 4.402 5.626 1.00 0.00 C ATOM 19 C ILE A 2 -5.366 4.505 5.917 1.00 0.00 C ATOM 20 O ILE A 2 -6.179 3.836 5.306 1.00 0.00 O ATOM 21 CB ILE A 2 -3.156 3.830 6.853 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.677 4.233 6.828 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.267 2.305 6.849 1.00 0.00 C ATOM 24 CD1 ILE A 2 -1.091 3.991 5.434 1.00 0.00 C ATOM 0 H ILE A 2 -2.699 6.139 6.028 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.707 3.747 4.770 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.623 4.227 7.755 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.574 5.284 7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.122 3.658 7.569 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.757 1.901 7.723 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.318 2.017 6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.806 1.909 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.040 4.280 5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.179 2.934 5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.637 4.586 4.702 1.00 0.00 H new ATOM 36 N SER A 3 -5.736 5.344 6.844 1.00 0.00 N ATOM 37 CA SER A 3 -7.176 5.500 7.177 1.00 0.00 C ATOM 38 C SER A 3 -7.959 5.795 5.898 1.00 0.00 C ATOM 39 O SER A 3 -9.107 5.422 5.765 1.00 0.00 O ATOM 40 CB SER A 3 -7.344 6.650 8.167 1.00 0.00 C ATOM 41 OG SER A 3 -8.703 7.066 8.182 1.00 0.00 O ATOM 0 H SER A 3 -5.100 5.929 7.386 1.00 0.00 H new ATOM 0 HA SER A 3 -7.554 4.582 7.627 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.038 6.333 9.164 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.700 7.483 7.886 1.00 0.00 H new ATOM 0 HG SER A 3 -8.812 7.803 8.818 1.00 0.00 H new ATOM 47 N GLN A 4 -7.346 6.447 4.946 1.00 0.00 N ATOM 48 CA GLN A 4 -8.066 6.737 3.675 1.00 0.00 C ATOM 49 C GLN A 4 -8.364 5.411 2.984 1.00 0.00 C ATOM 50 O GLN A 4 -9.503 5.088 2.695 1.00 0.00 O ATOM 51 CB GLN A 4 -7.194 7.607 2.769 1.00 0.00 C ATOM 52 CG GLN A 4 -7.718 9.043 2.792 1.00 0.00 C ATOM 53 CD GLN A 4 -9.061 9.104 2.062 1.00 0.00 C ATOM 54 OE1 GLN A 4 -10.105 9.106 2.683 1.00 0.00 O ATOM 55 NE2 GLN A 4 -9.078 9.154 0.758 1.00 0.00 N ATOM 0 H GLN A 4 -6.386 6.788 4.994 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.993 7.272 3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.158 7.580 3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.207 7.219 1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.835 9.383 3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.001 9.711 2.315 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.202 9.152 0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.968 9.195 0.261 1.00 0.00 H new ATOM 64 N VAL A 5 -7.355 4.620 2.736 1.00 0.00 N ATOM 65 CA VAL A 5 -7.613 3.309 2.093 1.00 0.00 C ATOM 66 C VAL A 5 -8.659 2.595 2.930 1.00 0.00 C ATOM 67 O VAL A 5 -9.769 2.401 2.509 1.00 0.00 O ATOM 68 CB VAL A 5 -6.335 2.458 2.057 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.566 1.195 1.222 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.181 3.260 1.454 1.00 0.00 C ATOM 0 H VAL A 5 -6.379 4.824 2.949 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.951 3.459 1.068 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.080 2.175 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.653 0.599 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.373 0.610 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.837 1.476 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.281 2.645 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.438 3.559 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.000 4.148 2.059 1.00 0.00 H new ATOM 80 N HIS A 6 -8.310 2.214 4.126 1.00 0.00 N ATOM 81 CA HIS A 6 -9.280 1.516 5.006 1.00 0.00 C ATOM 82 C HIS A 6 -10.683 2.094 4.803 1.00 0.00 C ATOM 83 O HIS A 6 -11.666 1.378 4.788 1.00 0.00 O ATOM 84 CB HIS A 6 -8.848 1.721 6.455 1.00 0.00 C ATOM 85 CG HIS A 6 -7.602 0.922 6.721 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.630 -0.451 6.908 1.00 0.00 N ATOM 87 CD2 HIS A 6 -6.284 1.290 6.827 1.00 0.00 C ATOM 88 CE1 HIS A 6 -6.363 -0.857 7.113 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.503 0.164 7.074 1.00 0.00 N ATOM 0 H HIS A 6 -7.386 2.359 4.533 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.302 0.454 4.764 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.663 2.778 6.645 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.644 1.410 7.131 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.459 -1.045 6.893 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.910 2.299 6.733 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.077 -1.884 7.288 1.00 0.00 H new ATOM 97 N GLU A 7 -10.781 3.386 4.640 1.00 0.00 N ATOM 98 CA GLU A 7 -12.118 4.018 4.444 1.00 0.00 C ATOM 99 C GLU A 7 -12.763 3.521 3.147 1.00 0.00 C ATOM 100 O GLU A 7 -13.845 2.971 3.158 1.00 0.00 O ATOM 101 CB GLU A 7 -11.960 5.540 4.384 1.00 0.00 C ATOM 102 CG GLU A 7 -12.110 6.127 5.788 1.00 0.00 C ATOM 103 CD GLU A 7 -12.531 7.594 5.684 1.00 0.00 C ATOM 104 OE1 GLU A 7 -13.609 7.845 5.173 1.00 0.00 O ATOM 105 OE2 GLU A 7 -11.769 8.441 6.122 1.00 0.00 O ATOM 0 H GLU A 7 -9.992 4.032 4.634 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.760 3.745 5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.984 5.798 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.710 5.968 3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.853 5.563 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.168 6.045 6.331 1.00 0.00 H new ATOM 112 N ILE A 8 -12.125 3.723 2.026 1.00 0.00 N ATOM 113 CA ILE A 8 -12.728 3.272 0.739 1.00 0.00 C ATOM 114 C ILE A 8 -12.701 1.742 0.646 1.00 0.00 C ATOM 115 O ILE A 8 -13.694 1.109 0.348 1.00 0.00 O ATOM 116 CB ILE A 8 -11.940 3.878 -0.425 1.00 0.00 C ATOM 117 CG1 ILE A 8 -10.455 3.505 -0.312 1.00 0.00 C ATOM 118 CG2 ILE A 8 -12.075 5.402 -0.389 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.182 2.196 -1.064 1.00 0.00 C ATOM 0 H ILE A 8 -11.216 4.179 1.945 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.765 3.604 0.692 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.338 3.488 -1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.839 4.305 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.178 3.396 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.515 5.837 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.126 5.676 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.680 5.780 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.126 1.940 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.785 1.397 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.441 2.320 -2.116 1.00 0.00 H new ATOM 131 N GLY A 9 -11.568 1.151 0.883 1.00 0.00 N ATOM 132 CA GLY A 9 -11.451 -0.320 0.799 1.00 0.00 C ATOM 133 C GLY A 9 -12.608 -0.967 1.559 1.00 0.00 C ATOM 134 O GLY A 9 -13.277 -1.842 1.056 1.00 0.00 O ATOM 0 H GLY A 9 -10.707 1.636 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.464 -0.638 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.499 -0.644 1.219 1.00 0.00 H new ATOM 138 N ILE A 10 -12.853 -0.557 2.771 1.00 0.00 N ATOM 139 CA ILE A 10 -13.972 -1.180 3.533 1.00 0.00 C ATOM 140 C ILE A 10 -15.317 -0.744 2.933 1.00 0.00 C ATOM 141 O ILE A 10 -16.214 -1.542 2.745 1.00 0.00 O ATOM 142 CB ILE A 10 -13.871 -0.763 5.012 1.00 0.00 C ATOM 143 CG1 ILE A 10 -13.347 -1.951 5.803 1.00 0.00 C ATOM 144 CG2 ILE A 10 -15.237 -0.344 5.579 1.00 0.00 C ATOM 145 CD1 ILE A 10 -14.281 -3.140 5.577 1.00 0.00 C ATOM 0 H ILE A 10 -12.336 0.172 3.263 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.906 -2.266 3.468 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.201 0.093 5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.335 -2.200 5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.297 -1.706 6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.124 -0.057 6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.623 0.502 5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.933 -1.179 5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.917 -4.000 6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.285 -2.884 5.916 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.308 -3.385 4.515 1.00 0.00 H new ATOM 157 N LYS A 11 -15.465 0.518 2.655 1.00 0.00 N ATOM 158 CA LYS A 11 -16.753 1.017 2.096 1.00 0.00 C ATOM 159 C LYS A 11 -17.015 0.402 0.719 1.00 0.00 C ATOM 160 O LYS A 11 -18.098 0.513 0.179 1.00 0.00 O ATOM 161 CB LYS A 11 -16.678 2.535 1.957 1.00 0.00 C ATOM 162 CG LYS A 11 -17.613 3.193 2.975 1.00 0.00 C ATOM 163 CD LYS A 11 -18.576 4.135 2.249 1.00 0.00 C ATOM 164 CE LYS A 11 -19.815 4.366 3.117 1.00 0.00 C ATOM 165 NZ LYS A 11 -19.448 5.204 4.293 1.00 0.00 N ATOM 0 H LYS A 11 -14.748 1.230 2.791 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.564 0.735 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.654 2.874 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.958 2.832 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.173 2.430 3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.033 3.747 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.084 5.085 2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.866 3.707 1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -20.594 4.859 2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.222 3.411 3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.302 5.418 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.769 4.688 4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.016 6.092 3.966 1.00 0.00 H new ATOM 179 N ARG A 12 -16.040 -0.237 0.140 1.00 0.00 N ATOM 180 CA ARG A 12 -16.256 -0.843 -1.207 1.00 0.00 C ATOM 181 C ARG A 12 -15.916 -2.331 -1.163 1.00 0.00 C ATOM 182 O ARG A 12 -15.745 -2.970 -2.183 1.00 0.00 O ATOM 183 CB ARG A 12 -15.360 -0.147 -2.234 1.00 0.00 C ATOM 184 CG ARG A 12 -16.230 0.533 -3.293 1.00 0.00 C ATOM 185 CD ARG A 12 -15.382 0.846 -4.527 1.00 0.00 C ATOM 186 NE ARG A 12 -15.571 2.273 -4.919 1.00 0.00 N ATOM 187 CZ ARG A 12 -16.739 2.845 -4.783 1.00 0.00 C ATOM 188 NH1 ARG A 12 -17.686 2.608 -5.648 1.00 0.00 N ATOM 189 NH2 ARG A 12 -16.954 3.653 -3.781 1.00 0.00 N ATOM 0 H ARG A 12 -15.109 -0.367 0.535 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.301 -0.718 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.727 0.590 -1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.696 -0.873 -2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -17.063 -0.115 -3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -16.659 1.451 -2.891 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.330 0.653 -4.316 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.667 0.192 -5.351 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.786 2.805 -5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.516 1.976 -6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.597 3.054 -5.542 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.212 3.837 -3.106 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.864 4.100 -3.673 1.00 0.00 H new ATOM 203 N ASN A 13 -15.812 -2.885 0.013 1.00 0.00 N ATOM 204 CA ASN A 13 -15.482 -4.331 0.135 1.00 0.00 C ATOM 205 C ASN A 13 -14.010 -4.570 -0.222 1.00 0.00 C ATOM 206 O ASN A 13 -13.510 -5.670 -0.096 1.00 0.00 O ATOM 207 CB ASN A 13 -16.383 -5.143 -0.799 1.00 0.00 C ATOM 208 CG ASN A 13 -17.343 -5.995 0.034 1.00 0.00 C ATOM 209 OD1 ASN A 13 -16.939 -6.630 0.988 1.00 0.00 O ATOM 210 ND2 ASN A 13 -18.608 -6.036 -0.287 1.00 0.00 N ATOM 0 H ASN A 13 -15.942 -2.395 0.898 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.649 -4.649 1.164 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.945 -4.475 -1.451 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.777 -5.781 -1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -19.256 -6.601 0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -18.949 -5.503 -1.088 1.00 0.00 H new ATOM 217 N MET A 14 -13.303 -3.558 -0.658 1.00 0.00 N ATOM 218 CA MET A 14 -11.871 -3.756 -1.002 1.00 0.00 C ATOM 219 C MET A 14 -11.043 -3.750 0.285 1.00 0.00 C ATOM 220 O MET A 14 -10.600 -2.720 0.746 1.00 0.00 O ATOM 221 CB MET A 14 -11.406 -2.624 -1.917 1.00 0.00 C ATOM 222 CG MET A 14 -11.640 -3.024 -3.374 1.00 0.00 C ATOM 223 SD MET A 14 -12.124 -1.565 -4.328 1.00 0.00 S ATOM 224 CE MET A 14 -10.960 -0.407 -3.571 1.00 0.00 C ATOM 0 H MET A 14 -13.657 -2.610 -0.789 1.00 0.00 H new ATOM 0 HA MET A 14 -11.743 -4.709 -1.516 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.951 -1.708 -1.687 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.349 -2.417 -1.750 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.734 -3.461 -3.793 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.418 -3.785 -3.433 1.00 0.00 H new ATOM 0 HE1 MET A 14 -10.824 0.453 -4.227 1.00 0.00 H new ATOM 0 HE2 MET A 14 -11.352 -0.073 -2.610 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.001 -0.902 -3.419 1.00 0.00 H new ATOM 234 N THR A 15 -10.833 -4.894 0.871 1.00 0.00 N ATOM 235 CA THR A 15 -10.038 -4.944 2.128 1.00 0.00 C ATOM 236 C THR A 15 -8.794 -4.067 1.991 1.00 0.00 C ATOM 237 O THR A 15 -8.347 -3.770 0.904 1.00 0.00 O ATOM 238 CB THR A 15 -9.619 -6.390 2.428 1.00 0.00 C ATOM 239 OG1 THR A 15 -10.229 -7.266 1.490 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.080 -6.749 3.838 1.00 0.00 C ATOM 0 H THR A 15 -11.176 -5.794 0.535 1.00 0.00 H new ATOM 0 HA THR A 15 -10.652 -4.573 2.949 1.00 0.00 H new ATOM 0 HB THR A 15 -8.536 -6.487 2.354 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.642 -7.373 0.713 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.789 -7.775 4.066 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.616 -6.072 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.164 -6.657 3.901 1.00 0.00 H new ATOM 248 N VAL A 16 -8.234 -3.656 3.094 1.00 0.00 N ATOM 249 CA VAL A 16 -7.010 -2.805 3.050 1.00 0.00 C ATOM 250 C VAL A 16 -5.960 -3.442 3.943 1.00 0.00 C ATOM 251 O VAL A 16 -5.907 -3.181 5.129 1.00 0.00 O ATOM 252 CB VAL A 16 -7.335 -1.410 3.581 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.036 -0.613 3.775 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.236 -0.696 2.574 1.00 0.00 C ATOM 0 H VAL A 16 -8.573 -3.874 4.031 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.647 -2.723 2.025 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.846 -1.489 4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.272 0.381 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.395 -1.130 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.518 -0.524 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.475 0.302 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.720 -0.615 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.157 -1.264 2.443 1.00 0.00 H new ATOM 264 N HIS A 17 -5.128 -4.286 3.406 1.00 0.00 N ATOM 265 CA HIS A 17 -4.107 -4.927 4.290 1.00 0.00 C ATOM 266 C HIS A 17 -2.712 -4.389 3.977 1.00 0.00 C ATOM 267 O HIS A 17 -2.012 -4.890 3.121 1.00 0.00 O ATOM 268 CB HIS A 17 -4.132 -6.447 4.121 1.00 0.00 C ATOM 269 CG HIS A 17 -5.411 -6.990 4.699 1.00 0.00 C ATOM 270 ND1 HIS A 17 -5.963 -6.482 5.864 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.261 -7.992 4.289 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.091 -7.171 6.114 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.319 -8.103 5.186 1.00 0.00 N ATOM 0 H HIS A 17 -5.105 -4.557 2.423 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.351 -4.684 5.324 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.056 -6.708 3.066 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.274 -6.894 4.622 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.127 -8.599 3.406 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.734 -6.992 6.963 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.101 -8.756 5.144 1.00 0.00 H new ATOM 281 N PHE A 18 -2.307 -3.372 4.686 1.00 0.00 N ATOM 282 CA PHE A 18 -0.959 -2.784 4.470 1.00 0.00 C ATOM 283 C PHE A 18 0.083 -3.620 5.212 1.00 0.00 C ATOM 284 O PHE A 18 0.078 -3.696 6.424 1.00 0.00 O ATOM 285 CB PHE A 18 -0.946 -1.361 5.023 1.00 0.00 C ATOM 286 CG PHE A 18 -1.602 -0.440 4.031 1.00 0.00 C ATOM 287 CD1 PHE A 18 -0.932 -0.108 2.854 1.00 0.00 C ATOM 288 CD2 PHE A 18 -2.880 0.075 4.279 1.00 0.00 C ATOM 289 CE1 PHE A 18 -1.533 0.738 1.923 1.00 0.00 C ATOM 290 CE2 PHE A 18 -3.483 0.925 3.346 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.809 1.257 2.167 1.00 0.00 C ATOM 0 H PHE A 18 -2.860 -2.920 5.414 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.727 -2.773 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.473 -1.323 5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.079 -1.041 5.213 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.053 -0.507 2.663 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.400 -0.184 5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.013 0.993 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.468 1.324 3.536 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.273 1.913 1.446 1.00 0.00 H new ATOM 301 N LYS A 19 0.977 -4.252 4.501 1.00 0.00 N ATOM 302 CA LYS A 19 2.007 -5.081 5.180 1.00 0.00 C ATOM 303 C LYS A 19 3.290 -5.085 4.346 1.00 0.00 C ATOM 304 O LYS A 19 3.309 -5.551 3.225 1.00 0.00 O ATOM 305 CB LYS A 19 1.488 -6.513 5.320 1.00 0.00 C ATOM 306 CG LYS A 19 1.655 -6.983 6.766 1.00 0.00 C ATOM 307 CD LYS A 19 2.661 -8.136 6.814 1.00 0.00 C ATOM 308 CE LYS A 19 2.387 -9.002 8.043 1.00 0.00 C ATOM 309 NZ LYS A 19 3.670 -9.272 8.754 1.00 0.00 N ATOM 0 H LYS A 19 1.037 -4.229 3.483 1.00 0.00 H new ATOM 0 HA LYS A 19 2.217 -4.668 6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.438 -6.559 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.033 -7.175 4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.000 -6.159 7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.695 -7.307 7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.584 -8.737 5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.677 -7.744 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.688 -8.496 8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.920 -9.940 7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.486 -9.861 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.322 -9.771 8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.098 -8.372 9.052 1.00 0.00 H new ATOM 323 N VAL A 20 4.364 -4.578 4.887 1.00 0.00 N ATOM 324 CA VAL A 20 5.642 -4.567 4.122 1.00 0.00 C ATOM 325 C VAL A 20 6.262 -5.959 4.200 1.00 0.00 C ATOM 326 O VAL A 20 6.583 -6.451 5.263 1.00 0.00 O ATOM 327 CB VAL A 20 6.584 -3.521 4.721 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.976 -3.665 4.100 1.00 0.00 C ATOM 329 CG2 VAL A 20 6.028 -2.123 4.419 1.00 0.00 C ATOM 0 H VAL A 20 4.412 -4.173 5.822 1.00 0.00 H new ATOM 0 HA VAL A 20 5.463 -4.309 3.078 1.00 0.00 H new ATOM 0 HB VAL A 20 6.659 -3.665 5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.645 -2.919 4.529 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.365 -4.662 4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.911 -3.517 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.692 -1.368 4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.960 -1.984 3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.037 -2.023 4.861 1.00 0.00 H new ATOM 339 N LEU A 21 6.395 -6.612 3.079 1.00 0.00 N ATOM 340 CA LEU A 21 6.953 -7.989 3.086 1.00 0.00 C ATOM 341 C LEU A 21 8.273 -8.048 2.317 1.00 0.00 C ATOM 342 O LEU A 21 8.833 -9.108 2.123 1.00 0.00 O ATOM 343 CB LEU A 21 5.949 -8.929 2.424 1.00 0.00 C ATOM 344 CG LEU A 21 5.286 -8.221 1.252 1.00 0.00 C ATOM 345 CD1 LEU A 21 4.957 -9.231 0.150 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.005 -7.580 1.757 1.00 0.00 C ATOM 0 H LEU A 21 6.141 -6.250 2.160 1.00 0.00 H new ATOM 0 HA LEU A 21 7.139 -8.287 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.453 -9.832 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.196 -9.241 3.147 1.00 0.00 H new ATOM 0 HG LEU A 21 5.955 -7.465 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.483 -8.716 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.875 -9.708 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.278 -9.989 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.508 -7.064 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.344 -8.351 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.242 -6.864 2.544 1.00 0.00 H new ATOM 358 N ARG A 22 8.778 -6.934 1.864 1.00 0.00 N ATOM 359 CA ARG A 22 10.058 -6.976 1.101 1.00 0.00 C ATOM 360 C ARG A 22 10.969 -5.820 1.523 1.00 0.00 C ATOM 361 O ARG A 22 10.513 -4.764 1.915 1.00 0.00 O ATOM 362 CB ARG A 22 9.759 -6.870 -0.395 1.00 0.00 C ATOM 363 CG ARG A 22 10.705 -7.788 -1.171 1.00 0.00 C ATOM 364 CD ARG A 22 10.175 -9.226 -1.126 1.00 0.00 C ATOM 365 NE ARG A 22 11.018 -10.057 -0.214 1.00 0.00 N ATOM 366 CZ ARG A 22 12.312 -9.887 -0.172 1.00 0.00 C ATOM 367 NH1 ARG A 22 13.040 -10.145 -1.224 1.00 0.00 N ATOM 368 NH2 ARG A 22 12.877 -9.458 0.924 1.00 0.00 N ATOM 0 H ARG A 22 8.367 -6.008 1.986 1.00 0.00 H new ATOM 0 HA ARG A 22 10.565 -7.918 1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.723 -7.149 -0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.880 -5.839 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.788 -7.452 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.705 -7.744 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.141 -9.230 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.179 -9.655 -2.128 1.00 0.00 H new ATOM 0 HE ARG A 22 10.580 -10.761 0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.598 -10.480 -2.080 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.051 -10.012 -1.190 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.308 -9.256 1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.888 -9.325 0.958 1.00 0.00 H new ATOM 499 N ASN A 31 13.928 1.182 -0.055 1.00 0.00 N ATOM 500 CA ASN A 31 12.524 1.094 -0.531 1.00 0.00 C ATOM 501 C ASN A 31 12.008 -0.312 -0.253 1.00 0.00 C ATOM 502 O ASN A 31 12.585 -1.289 -0.687 1.00 0.00 O ATOM 503 CB ASN A 31 12.472 1.375 -2.033 1.00 0.00 C ATOM 504 CG ASN A 31 13.437 2.512 -2.372 1.00 0.00 C ATOM 505 OD1 ASN A 31 14.493 2.283 -2.929 1.00 0.00 O ATOM 506 ND2 ASN A 31 13.118 3.737 -2.055 1.00 0.00 N ATOM 0 HA ASN A 31 11.906 1.828 -0.014 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.740 0.478 -2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.458 1.644 -2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.755 4.503 -2.275 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.232 3.929 -1.588 1.00 0.00 H new ATOM 513 N PHE A 32 10.931 -0.433 0.467 1.00 0.00 N ATOM 514 CA PHE A 32 10.401 -1.788 0.758 1.00 0.00 C ATOM 515 C PHE A 32 9.156 -2.014 -0.084 1.00 0.00 C ATOM 516 O PHE A 32 8.438 -1.085 -0.405 1.00 0.00 O ATOM 517 CB PHE A 32 10.025 -1.891 2.234 1.00 0.00 C ATOM 518 CG PHE A 32 11.268 -2.004 3.085 1.00 0.00 C ATOM 519 CD1 PHE A 32 12.291 -1.042 3.002 1.00 0.00 C ATOM 520 CD2 PHE A 32 11.396 -3.085 3.964 1.00 0.00 C ATOM 521 CE1 PHE A 32 13.434 -1.171 3.801 1.00 0.00 C ATOM 522 CE2 PHE A 32 12.535 -3.210 4.760 1.00 0.00 C ATOM 523 CZ PHE A 32 13.556 -2.256 4.680 1.00 0.00 C ATOM 0 H PHE A 32 10.399 0.342 0.863 1.00 0.00 H new ATOM 0 HA PHE A 32 11.160 -2.535 0.526 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.451 -1.014 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.386 -2.760 2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.195 -0.207 2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.611 -3.824 4.026 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.221 -0.434 3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.629 -4.044 5.439 1.00 0.00 H new ATOM 0 HZ PHE A 32 14.438 -2.356 5.296 1.00 0.00 H new ATOM 533 N ILE A 33 8.866 -3.232 -0.427 1.00 0.00 N ATOM 534 CA ILE A 33 7.645 -3.467 -1.224 1.00 0.00 C ATOM 535 C ILE A 33 6.496 -3.639 -0.243 1.00 0.00 C ATOM 536 O ILE A 33 6.348 -4.667 0.387 1.00 0.00 O ATOM 537 CB ILE A 33 7.796 -4.720 -2.086 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.199 -4.745 -2.703 1.00 0.00 C ATOM 539 CG2 ILE A 33 6.747 -4.703 -3.200 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.283 -3.709 -3.825 1.00 0.00 C ATOM 0 H ILE A 33 9.413 -4.061 -0.194 1.00 0.00 H new ATOM 0 HA ILE A 33 7.461 -2.629 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 33 7.653 -5.607 -1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.947 -4.531 -1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.418 -5.739 -3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.855 -5.597 -3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.750 -4.683 -2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.888 -3.817 -3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.281 -3.727 -4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.545 -3.943 -4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.083 -2.717 -3.420 1.00 0.00 H new ATOM 552 N THR A 34 5.702 -2.621 -0.078 1.00 0.00 N ATOM 553 CA THR A 34 4.585 -2.713 0.899 1.00 0.00 C ATOM 554 C THR A 34 3.346 -3.277 0.215 1.00 0.00 C ATOM 555 O THR A 34 2.743 -2.650 -0.631 1.00 0.00 O ATOM 556 CB THR A 34 4.288 -1.326 1.469 1.00 0.00 C ATOM 557 OG1 THR A 34 5.464 -0.802 2.071 1.00 0.00 O ATOM 558 CG2 THR A 34 3.178 -1.433 2.520 1.00 0.00 C ATOM 0 H THR A 34 5.777 -1.733 -0.575 1.00 0.00 H new ATOM 0 HA THR A 34 4.870 -3.379 1.714 1.00 0.00 H new ATOM 0 HB THR A 34 3.964 -0.663 0.667 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.806 -0.060 1.530 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.966 -0.444 2.927 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.277 -1.836 2.058 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.501 -2.095 3.324 1.00 0.00 H new ATOM 566 N ALA A 35 2.968 -4.471 0.573 1.00 0.00 N ATOM 567 CA ALA A 35 1.777 -5.101 -0.056 1.00 0.00 C ATOM 568 C ALA A 35 0.497 -4.568 0.582 1.00 0.00 C ATOM 569 O ALA A 35 0.239 -4.792 1.745 1.00 0.00 O ATOM 570 CB ALA A 35 1.847 -6.607 0.163 1.00 0.00 C ATOM 0 H ALA A 35 3.436 -5.040 1.278 1.00 0.00 H new ATOM 0 HA ALA A 35 1.768 -4.868 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.979 -7.082 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.756 -6.999 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.856 -6.819 1.232 1.00 0.00 H new ATOM 576 N CYS A 36 -0.334 -3.905 -0.171 1.00 0.00 N ATOM 577 CA CYS A 36 -1.610 -3.408 0.409 1.00 0.00 C ATOM 578 C CYS A 36 -2.729 -4.213 -0.250 1.00 0.00 C ATOM 579 O CYS A 36 -2.942 -4.122 -1.439 1.00 0.00 O ATOM 580 CB CYS A 36 -1.791 -1.891 0.160 1.00 0.00 C ATOM 581 SG CYS A 36 -0.421 -1.221 -0.823 1.00 0.00 S ATOM 0 H CYS A 36 -0.186 -3.687 -1.156 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.620 -3.539 1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.734 -1.714 -0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.848 -1.367 1.114 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.387 -1.813 -1.980 1.00 0.00 H new ATOM 587 N ILE A 37 -3.413 -5.040 0.496 1.00 0.00 N ATOM 588 CA ILE A 37 -4.471 -5.885 -0.131 1.00 0.00 C ATOM 589 C ILE A 37 -5.710 -5.055 -0.402 1.00 0.00 C ATOM 590 O ILE A 37 -6.145 -4.276 0.433 1.00 0.00 O ATOM 591 CB ILE A 37 -4.818 -7.076 0.792 1.00 0.00 C ATOM 592 CG1 ILE A 37 -5.095 -8.320 -0.058 1.00 0.00 C ATOM 593 CG2 ILE A 37 -6.059 -6.786 1.665 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.518 -8.269 -0.613 1.00 0.00 C ATOM 0 H ILE A 37 -3.287 -5.166 1.500 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.095 -6.273 -1.078 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.965 -7.240 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.378 -8.377 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.963 -9.219 0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.268 -7.648 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.868 -5.914 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.918 -6.591 1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.705 -9.158 -1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.229 -8.234 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.636 -7.379 -1.232 1.00 0.00 H new ATOM 606 N VAL A 38 -6.278 -5.260 -1.564 1.00 0.00 N ATOM 607 CA VAL A 38 -7.512 -4.549 -1.973 1.00 0.00 C ATOM 608 C VAL A 38 -8.504 -5.594 -2.508 1.00 0.00 C ATOM 609 O VAL A 38 -8.188 -6.377 -3.384 1.00 0.00 O ATOM 610 CB VAL A 38 -7.151 -3.507 -3.052 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.875 -3.787 -4.377 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.543 -2.121 -2.551 1.00 0.00 C ATOM 0 H VAL A 38 -5.920 -5.912 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.970 -4.023 -1.135 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.078 -3.564 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.595 -3.032 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.592 -4.773 -4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.953 -3.755 -4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.292 -1.377 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.615 -2.094 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.002 -1.900 -1.631 1.00 0.00 H new ATOM 622 N GLY A 39 -9.692 -5.618 -1.981 1.00 0.00 N ATOM 623 CA GLY A 39 -10.694 -6.618 -2.446 1.00 0.00 C ATOM 624 C GLY A 39 -10.109 -8.021 -2.294 1.00 0.00 C ATOM 625 O GLY A 39 -9.728 -8.431 -1.216 1.00 0.00 O ATOM 0 H GLY A 39 -10.016 -4.988 -1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.612 -6.529 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.956 -6.431 -3.487 1.00 0.00 H new ATOM 629 N SER A 40 -10.026 -8.758 -3.365 1.00 0.00 N ATOM 630 CA SER A 40 -9.458 -10.132 -3.280 1.00 0.00 C ATOM 631 C SER A 40 -8.113 -10.173 -4.011 1.00 0.00 C ATOM 632 O SER A 40 -7.501 -11.215 -4.145 1.00 0.00 O ATOM 633 CB SER A 40 -10.423 -11.125 -3.926 1.00 0.00 C ATOM 634 OG SER A 40 -11.341 -10.419 -4.749 1.00 0.00 O ATOM 0 H SER A 40 -10.327 -8.469 -4.296 1.00 0.00 H new ATOM 0 HA SER A 40 -9.311 -10.401 -2.234 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.870 -11.853 -4.519 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.959 -11.681 -3.157 1.00 0.00 H new ATOM 0 HG SER A 40 -11.961 -11.053 -5.167 1.00 0.00 H new ATOM 640 N ILE A 41 -7.646 -9.049 -4.483 1.00 0.00 N ATOM 641 CA ILE A 41 -6.340 -9.025 -5.203 1.00 0.00 C ATOM 642 C ILE A 41 -5.339 -8.207 -4.387 1.00 0.00 C ATOM 643 O ILE A 41 -5.715 -7.443 -3.524 1.00 0.00 O ATOM 644 CB ILE A 41 -6.521 -8.381 -6.581 1.00 0.00 C ATOM 645 CG1 ILE A 41 -7.943 -8.642 -7.092 1.00 0.00 C ATOM 646 CG2 ILE A 41 -5.513 -8.983 -7.559 1.00 0.00 C ATOM 647 CD1 ILE A 41 -8.810 -7.406 -6.844 1.00 0.00 C ATOM 0 H ILE A 41 -8.113 -8.146 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.973 -10.043 -5.330 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.358 -7.306 -6.501 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.921 -8.876 -8.156 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.370 -9.507 -6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.640 -8.526 -8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.501 -8.795 -7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.677 -10.058 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.821 -7.592 -7.207 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.842 -7.192 -5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.386 -6.552 -7.372 1.00 0.00 H new ATOM 659 N VAL A 42 -4.067 -8.354 -4.644 1.00 0.00 N ATOM 660 CA VAL A 42 -3.072 -7.567 -3.860 1.00 0.00 C ATOM 661 C VAL A 42 -2.553 -6.397 -4.683 1.00 0.00 C ATOM 662 O VAL A 42 -2.301 -6.503 -5.866 1.00 0.00 O ATOM 663 CB VAL A 42 -1.862 -8.423 -3.464 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.689 -8.392 -1.948 1.00 0.00 C ATOM 665 CG2 VAL A 42 -2.048 -9.870 -3.931 1.00 0.00 C ATOM 0 H VAL A 42 -3.678 -8.976 -5.353 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.585 -7.216 -2.964 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.973 -8.014 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.829 -9.000 -1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.529 -7.365 -1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.585 -8.789 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.179 -10.461 -3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.942 -10.289 -3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.155 -9.891 -5.016 1.00 0.00 H new ATOM 675 N THR A 43 -2.350 -5.295 -4.034 1.00 0.00 N ATOM 676 CA THR A 43 -1.797 -4.099 -4.713 1.00 0.00 C ATOM 677 C THR A 43 -0.677 -3.573 -3.822 1.00 0.00 C ATOM 678 O THR A 43 -0.909 -2.827 -2.899 1.00 0.00 O ATOM 679 CB THR A 43 -2.884 -3.034 -4.875 1.00 0.00 C ATOM 680 OG1 THR A 43 -3.834 -3.472 -5.837 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.252 -1.720 -5.338 1.00 0.00 C ATOM 0 H THR A 43 -2.547 -5.168 -3.041 1.00 0.00 H new ATOM 0 HA THR A 43 -1.427 -4.348 -5.708 1.00 0.00 H new ATOM 0 HB THR A 43 -3.382 -2.875 -3.919 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.532 -2.792 -5.941 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.028 -0.963 -5.453 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.525 -1.385 -4.598 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.752 -1.874 -6.294 1.00 0.00 H new ATOM 689 N GLU A 44 0.532 -3.999 -4.053 1.00 0.00 N ATOM 690 CA GLU A 44 1.649 -3.549 -3.175 1.00 0.00 C ATOM 691 C GLU A 44 2.214 -2.214 -3.644 1.00 0.00 C ATOM 692 O GLU A 44 1.660 -1.536 -4.487 1.00 0.00 O ATOM 693 CB GLU A 44 2.773 -4.586 -3.189 1.00 0.00 C ATOM 694 CG GLU A 44 2.184 -5.995 -3.313 1.00 0.00 C ATOM 695 CD GLU A 44 2.578 -6.595 -4.665 1.00 0.00 C ATOM 696 OE1 GLU A 44 2.351 -5.942 -5.671 1.00 0.00 O ATOM 697 OE2 GLU A 44 3.097 -7.699 -4.672 1.00 0.00 O ATOM 0 H GLU A 44 0.795 -4.635 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 44 1.252 -3.433 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.449 -4.391 -4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.362 -4.508 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.549 -6.626 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.098 -5.956 -3.223 1.00 0.00 H new ATOM 704 N GLY A 45 3.330 -1.851 -3.088 1.00 0.00 N ATOM 705 CA GLY A 45 4.002 -0.577 -3.452 1.00 0.00 C ATOM 706 C GLY A 45 5.474 -0.755 -3.119 1.00 0.00 C ATOM 707 O GLY A 45 5.866 -1.807 -2.668 1.00 0.00 O ATOM 0 H GLY A 45 3.818 -2.398 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.868 -0.356 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.577 0.259 -2.896 1.00 0.00 H new ATOM 711 N GLU A 46 6.300 0.227 -3.328 1.00 0.00 N ATOM 712 CA GLU A 46 7.739 0.021 -3.003 1.00 0.00 C ATOM 713 C GLU A 46 8.298 1.213 -2.226 1.00 0.00 C ATOM 714 O GLU A 46 9.093 1.980 -2.733 1.00 0.00 O ATOM 715 CB GLU A 46 8.536 -0.171 -4.291 1.00 0.00 C ATOM 716 CG GLU A 46 7.643 -0.814 -5.355 1.00 0.00 C ATOM 717 CD GLU A 46 8.511 -1.529 -6.392 1.00 0.00 C ATOM 718 OE1 GLU A 46 9.592 -1.967 -6.032 1.00 0.00 O ATOM 719 OE2 GLU A 46 8.080 -1.627 -7.529 1.00 0.00 O ATOM 0 H GLU A 46 6.052 1.144 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 46 7.827 -0.870 -2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.909 0.789 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.406 -0.801 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.958 -1.522 -4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.033 -0.052 -5.840 1.00 0.00 H new ATOM 726 N GLY A 47 7.904 1.363 -0.993 1.00 0.00 N ATOM 727 CA GLY A 47 8.438 2.498 -0.181 1.00 0.00 C ATOM 728 C GLY A 47 8.833 2.000 1.214 1.00 0.00 C ATOM 729 O GLY A 47 8.533 0.883 1.581 1.00 0.00 O ATOM 0 H GLY A 47 7.240 0.755 -0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.303 2.937 -0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.686 3.282 -0.097 1.00 0.00 H new ATOM 798 N VAL A 52 7.818 5.659 4.619 1.00 0.00 N ATOM 799 CA VAL A 52 6.947 5.998 3.459 1.00 0.00 C ATOM 800 C VAL A 52 6.178 4.747 3.025 1.00 0.00 C ATOM 801 O VAL A 52 5.103 4.826 2.469 1.00 0.00 O ATOM 802 CB VAL A 52 7.833 6.530 2.316 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.166 5.430 1.296 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.106 7.675 1.608 1.00 0.00 C ATOM 0 HA VAL A 52 6.224 6.767 3.730 1.00 0.00 H new ATOM 0 HB VAL A 52 8.770 6.881 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.792 5.844 0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.699 4.621 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.243 5.044 0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.728 8.056 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.163 7.310 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.908 8.476 2.320 1.00 0.00 H new ATOM 814 N SER A 53 6.747 3.600 3.278 1.00 0.00 N ATOM 815 CA SER A 53 6.098 2.309 2.894 1.00 0.00 C ATOM 816 C SER A 53 4.583 2.434 3.012 1.00 0.00 C ATOM 817 O SER A 53 3.866 2.355 2.035 1.00 0.00 O ATOM 818 CB SER A 53 6.588 1.196 3.819 1.00 0.00 C ATOM 819 OG SER A 53 7.266 1.772 4.928 1.00 0.00 O ATOM 0 H SER A 53 7.650 3.499 3.742 1.00 0.00 H new ATOM 0 HA SER A 53 6.360 2.071 1.863 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.745 0.597 4.164 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.256 0.525 3.278 1.00 0.00 H new ATOM 0 HG SER A 53 7.580 1.061 5.525 1.00 0.00 H new ATOM 825 N LYS A 54 4.088 2.645 4.195 1.00 0.00 N ATOM 826 CA LYS A 54 2.616 2.794 4.358 1.00 0.00 C ATOM 827 C LYS A 54 2.117 3.760 3.287 1.00 0.00 C ATOM 828 O LYS A 54 1.193 3.470 2.551 1.00 0.00 O ATOM 829 CB LYS A 54 2.303 3.361 5.747 1.00 0.00 C ATOM 830 CG LYS A 54 2.918 2.465 6.828 1.00 0.00 C ATOM 831 CD LYS A 54 2.015 1.254 7.064 1.00 0.00 C ATOM 832 CE LYS A 54 2.189 0.258 5.917 1.00 0.00 C ATOM 833 NZ LYS A 54 2.319 -1.120 6.467 1.00 0.00 N ATOM 0 H LYS A 54 4.634 2.721 5.053 1.00 0.00 H new ATOM 0 HA LYS A 54 2.125 1.826 4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.698 4.373 5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.224 3.427 5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.911 2.137 6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.040 3.027 7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.265 0.780 8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.974 1.570 7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.335 0.312 5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.073 0.512 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.437 -1.796 5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.148 -1.167 7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.463 -1.361 7.006 1.00 0.00 H new ATOM 847 N LYS A 55 2.737 4.902 3.183 1.00 0.00 N ATOM 848 CA LYS A 55 2.320 5.885 2.150 1.00 0.00 C ATOM 849 C LYS A 55 2.408 5.228 0.772 1.00 0.00 C ATOM 850 O LYS A 55 1.423 4.774 0.237 1.00 0.00 O ATOM 851 CB LYS A 55 3.250 7.101 2.199 1.00 0.00 C ATOM 852 CG LYS A 55 2.659 8.155 3.138 1.00 0.00 C ATOM 853 CD LYS A 55 3.713 8.572 4.166 1.00 0.00 C ATOM 854 CE LYS A 55 3.019 9.039 5.447 1.00 0.00 C ATOM 855 NZ LYS A 55 3.456 8.188 6.588 1.00 0.00 N ATOM 0 H LYS A 55 3.517 5.196 3.771 1.00 0.00 H new ATOM 0 HA LYS A 55 1.296 6.207 2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.239 6.802 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.375 7.518 1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.330 9.023 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.780 7.755 3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.376 7.734 4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.333 9.373 3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.262 10.083 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.937 8.980 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.984 8.506 7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.203 7.197 6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.486 8.266 6.705 1.00 0.00 H new ATOM 869 N ARG A 56 3.589 5.177 0.206 1.00 0.00 N ATOM 870 CA ARG A 56 3.782 4.554 -1.144 1.00 0.00 C ATOM 871 C ARG A 56 2.753 3.445 -1.396 1.00 0.00 C ATOM 872 O ARG A 56 1.919 3.553 -2.267 1.00 0.00 O ATOM 873 CB ARG A 56 5.190 3.958 -1.221 1.00 0.00 C ATOM 874 CG ARG A 56 5.810 4.281 -2.583 1.00 0.00 C ATOM 875 CD ARG A 56 6.927 5.311 -2.402 1.00 0.00 C ATOM 876 NE ARG A 56 6.902 6.282 -3.534 1.00 0.00 N ATOM 877 CZ ARG A 56 6.612 5.876 -4.741 1.00 0.00 C ATOM 878 NH1 ARG A 56 7.104 4.753 -5.189 1.00 0.00 N ATOM 879 NH2 ARG A 56 5.828 6.593 -5.498 1.00 0.00 N ATOM 0 H ARG A 56 4.441 5.546 0.628 1.00 0.00 H new ATOM 0 HA ARG A 56 3.649 5.325 -1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.811 4.363 -0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.147 2.879 -1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.207 3.374 -3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.048 4.670 -3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.800 5.837 -1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.894 4.810 -2.361 1.00 0.00 H new ATOM 0 HE ARG A 56 7.112 7.266 -3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.716 4.192 -4.596 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.877 4.437 -6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.442 7.470 -5.147 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.601 6.277 -6.441 1.00 0.00 H new ATOM 893 N ALA A 57 2.822 2.371 -0.659 1.00 0.00 N ATOM 894 CA ALA A 57 1.867 1.247 -0.874 1.00 0.00 C ATOM 895 C ALA A 57 0.426 1.774 -1.002 1.00 0.00 C ATOM 896 O ALA A 57 -0.269 1.470 -1.949 1.00 0.00 O ATOM 897 CB ALA A 57 1.923 0.269 0.308 1.00 0.00 C ATOM 0 H ALA A 57 3.502 2.223 0.087 1.00 0.00 H new ATOM 0 HA ALA A 57 2.154 0.738 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.221 -0.547 0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.932 -0.133 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.656 0.792 1.226 1.00 0.00 H new ATOM 903 N ALA A 58 -0.039 2.522 -0.031 1.00 0.00 N ATOM 904 CA ALA A 58 -1.454 3.021 -0.070 1.00 0.00 C ATOM 905 C ALA A 58 -1.703 3.912 -1.293 1.00 0.00 C ATOM 906 O ALA A 58 -2.619 3.670 -2.055 1.00 0.00 O ATOM 907 CB ALA A 58 -1.767 3.792 1.213 1.00 0.00 C ATOM 0 H ALA A 58 0.498 2.810 0.787 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.115 2.157 -0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.795 4.152 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.641 3.134 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.088 4.640 1.302 1.00 0.00 H new ATOM 913 N GLU A 59 -0.921 4.938 -1.504 1.00 0.00 N ATOM 914 CA GLU A 59 -1.166 5.791 -2.700 1.00 0.00 C ATOM 915 C GLU A 59 -1.293 4.870 -3.901 1.00 0.00 C ATOM 916 O GLU A 59 -2.101 5.077 -4.774 1.00 0.00 O ATOM 917 CB GLU A 59 0.007 6.744 -2.932 1.00 0.00 C ATOM 918 CG GLU A 59 -0.288 8.091 -2.270 1.00 0.00 C ATOM 919 CD GLU A 59 -0.917 9.035 -3.296 1.00 0.00 C ATOM 920 OE1 GLU A 59 -0.434 9.067 -4.416 1.00 0.00 O ATOM 921 OE2 GLU A 59 -1.871 9.708 -2.944 1.00 0.00 O ATOM 0 H GLU A 59 -0.139 5.217 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.069 6.383 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.922 6.318 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.172 6.881 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.962 7.953 -1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.632 8.524 -1.877 1.00 0.00 H new ATOM 928 N LYS A 60 -0.501 3.838 -3.929 1.00 0.00 N ATOM 929 CA LYS A 60 -0.559 2.867 -5.049 1.00 0.00 C ATOM 930 C LYS A 60 -1.935 2.201 -5.038 1.00 0.00 C ATOM 931 O LYS A 60 -2.555 1.986 -6.061 1.00 0.00 O ATOM 932 CB LYS A 60 0.527 1.806 -4.835 1.00 0.00 C ATOM 933 CG LYS A 60 0.666 0.952 -6.098 1.00 0.00 C ATOM 934 CD LYS A 60 0.860 1.861 -7.312 1.00 0.00 C ATOM 935 CE LYS A 60 1.274 1.018 -8.519 1.00 0.00 C ATOM 936 NZ LYS A 60 2.172 1.820 -9.398 1.00 0.00 N ATOM 0 H LYS A 60 0.193 3.625 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.397 3.368 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.478 2.286 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.271 1.175 -3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.514 0.274 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.222 0.335 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.064 2.398 -7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.622 2.611 -7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.784 0.114 -8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.392 0.700 -9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.455 1.248 -10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.670 2.670 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.019 2.102 -8.864 1.00 0.00 H new ATOM 950 N MET A 61 -2.409 1.879 -3.869 1.00 0.00 N ATOM 951 CA MET A 61 -3.733 1.226 -3.728 1.00 0.00 C ATOM 952 C MET A 61 -4.853 2.202 -4.106 1.00 0.00 C ATOM 953 O MET A 61 -5.480 2.072 -5.138 1.00 0.00 O ATOM 954 CB MET A 61 -3.897 0.805 -2.268 1.00 0.00 C ATOM 955 CG MET A 61 -5.334 0.367 -2.015 1.00 0.00 C ATOM 956 SD MET A 61 -5.328 -1.057 -0.902 1.00 0.00 S ATOM 957 CE MET A 61 -4.538 -2.214 -2.044 1.00 0.00 C ATOM 0 H MET A 61 -1.922 2.046 -2.988 1.00 0.00 H new ATOM 0 HA MET A 61 -3.792 0.362 -4.390 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.212 -0.011 -2.036 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.639 1.634 -1.610 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.905 1.185 -1.576 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.820 0.108 -2.956 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.799 -3.235 -1.766 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.881 -2.015 -3.059 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.456 -2.091 -1.996 1.00 0.00 H new ATOM 967 N LEU A 62 -5.120 3.166 -3.266 1.00 0.00 N ATOM 968 CA LEU A 62 -6.214 4.143 -3.559 1.00 0.00 C ATOM 969 C LEU A 62 -6.072 4.668 -4.985 1.00 0.00 C ATOM 970 O LEU A 62 -7.020 4.703 -5.744 1.00 0.00 O ATOM 971 CB LEU A 62 -6.140 5.300 -2.561 1.00 0.00 C ATOM 972 CG LEU A 62 -6.412 4.815 -1.118 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.361 5.797 -0.440 1.00 0.00 C ATOM 974 CD2 LEU A 62 -7.066 3.418 -1.079 1.00 0.00 C ATOM 0 H LEU A 62 -4.627 3.321 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.180 3.648 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.155 5.764 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.867 6.065 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.451 4.757 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.561 5.465 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.905 6.787 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.297 5.842 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.236 3.124 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.018 3.447 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.407 2.694 -1.558 1.00 0.00 H new ATOM 986 N VAL A 63 -4.897 5.067 -5.369 1.00 0.00 N ATOM 987 CA VAL A 63 -4.713 5.568 -6.754 1.00 0.00 C ATOM 988 C VAL A 63 -5.070 4.441 -7.722 1.00 0.00 C ATOM 989 O VAL A 63 -5.653 4.659 -8.766 1.00 0.00 O ATOM 990 CB VAL A 63 -3.257 5.980 -6.966 1.00 0.00 C ATOM 991 CG1 VAL A 63 -3.047 6.345 -8.427 1.00 0.00 C ATOM 992 CG2 VAL A 63 -2.929 7.190 -6.088 1.00 0.00 C ATOM 0 H VAL A 63 -4.059 5.068 -4.787 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.353 6.433 -6.927 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.603 5.151 -6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.009 6.640 -8.583 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.278 5.484 -9.054 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.703 7.174 -8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.890 7.480 -6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.582 8.021 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.082 6.931 -5.040 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.718 3.234 -7.374 1.00 0.00 N ATOM 1003 CA GLU A 64 -5.027 2.072 -8.254 1.00 0.00 C ATOM 1004 C GLU A 64 -6.538 1.975 -8.498 1.00 0.00 C ATOM 1005 O GLU A 64 -6.989 1.991 -9.627 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.541 0.785 -7.583 1.00 0.00 C ATOM 1007 CG GLU A 64 -3.262 0.304 -8.270 1.00 0.00 C ATOM 1008 CD GLU A 64 -3.582 -0.892 -9.170 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -4.484 -1.641 -8.830 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -2.920 -1.039 -10.184 1.00 0.00 O ATOM 0 H GLU A 64 -4.226 3.001 -6.511 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.521 2.208 -9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.353 0.963 -6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.311 0.016 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.829 1.111 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.520 0.022 -7.523 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.329 1.857 -7.460 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.807 1.743 -7.671 1.00 0.00 C ATOM 1019 C LEU A 65 -9.332 2.982 -8.397 1.00 0.00 C ATOM 1020 O LEU A 65 -10.238 2.898 -9.201 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.556 1.596 -6.341 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.779 2.258 -5.211 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.746 3.001 -4.288 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.048 1.176 -4.426 1.00 0.00 C ATOM 0 H LEU A 65 -7.022 1.835 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.982 0.851 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.545 2.047 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.705 0.540 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.062 2.971 -5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.187 3.474 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.278 3.764 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.463 2.295 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.486 1.634 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.772 0.472 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.362 0.647 -5.088 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.786 4.136 -8.116 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.280 5.368 -8.793 1.00 0.00 C ATOM 1038 C GLN A 66 -9.318 5.146 -10.303 1.00 0.00 C ATOM 1039 O GLN A 66 -10.085 5.762 -11.013 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.352 6.534 -8.466 1.00 0.00 C ATOM 1041 CG GLN A 66 -8.917 7.294 -7.270 1.00 0.00 C ATOM 1042 CD GLN A 66 -7.961 7.211 -6.115 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -6.850 7.699 -6.171 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -8.365 6.598 -5.058 1.00 0.00 N ATOM 0 H GLN A 66 -8.025 4.277 -7.452 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.286 5.597 -8.441 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.351 6.167 -8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.262 7.197 -9.326 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.088 8.337 -7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.882 6.876 -6.985 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.301 6.194 -5.029 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.749 6.516 -4.249 1.00 0.00 H new ATOM 1053 N LYS A 67 -8.494 4.268 -10.798 1.00 0.00 N ATOM 1054 CA LYS A 67 -8.481 4.003 -12.261 1.00 0.00 C ATOM 1055 C LYS A 67 -9.867 3.542 -12.711 1.00 0.00 C ATOM 1056 O LYS A 67 -10.452 4.093 -13.622 1.00 0.00 O ATOM 1057 CB LYS A 67 -7.451 2.917 -12.567 1.00 0.00 C ATOM 1058 CG LYS A 67 -6.400 3.471 -13.528 1.00 0.00 C ATOM 1059 CD LYS A 67 -6.985 3.530 -14.940 1.00 0.00 C ATOM 1060 CE LYS A 67 -6.034 4.303 -15.854 1.00 0.00 C ATOM 1061 NZ LYS A 67 -6.825 5.154 -16.787 1.00 0.00 N ATOM 0 H LYS A 67 -7.828 3.722 -10.252 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.217 4.915 -12.796 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.976 2.581 -11.645 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.941 2.049 -13.008 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.088 4.466 -13.210 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.512 2.840 -13.516 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.137 2.521 -15.325 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.961 4.014 -14.921 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.364 4.923 -15.259 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.410 3.609 -16.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.179 5.680 -17.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.447 4.552 -17.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.402 5.825 -16.240 1.00 0.00 H new ATOM 1075 N LEU A 68 -10.398 2.535 -12.077 1.00 0.00 N ATOM 1076 CA LEU A 68 -11.745 2.034 -12.462 1.00 0.00 C ATOM 1077 C LEU A 68 -12.766 3.168 -12.339 1.00 0.00 C ATOM 1078 O LEU A 68 -13.261 3.606 -13.364 1.00 0.00 O ATOM 1079 CB LEU A 68 -12.145 0.887 -11.530 1.00 0.00 C ATOM 1080 CG LEU A 68 -10.947 -0.040 -11.302 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -11.431 -1.352 -10.682 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -10.264 -0.334 -12.639 1.00 0.00 C ATOM 1083 OXT LEU A 68 -13.035 3.577 -11.222 1.00 0.00 O ATOM 0 H LEU A 68 -9.955 2.036 -11.306 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.720 1.677 -13.492 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.494 1.286 -10.577 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.973 0.326 -11.964 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.238 0.444 -10.630 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.580 -2.013 -10.519 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.918 -1.146 -9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.140 -1.833 -11.356 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.412 -0.994 -12.475 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.973 -0.817 -13.311 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.920 0.599 -13.085 1.00 0.00 H new