USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 532 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 -134:sc= -0.0219 (180deg=-1.87!) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.15 (180deg=0.853) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 2.11 (180deg=2.08) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.142 K(o=-0.14,f=-1.6) USER MOD Single : A 13 SER OG : rot -170:sc= -1.88! USER MOD Single : A 15 TYR OH : rot 0:sc= 1.01 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -135:sc= -0.0491 (180deg=-0.287) USER MOD Single : A 28 MET CE :methyl -110:sc= -0.378 (180deg=-2.76!) USER MOD Single : A 30 ASN : amide:sc= 0.144 K(o=0.14,f=-13!) USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= 0.286 (180deg=-0.71) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0485 K(o=-0.049,f=-0.96) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 151:sc= 0 (180deg=-0.914) USER MOD Single : A 55 THR OG1 : rot -102:sc= 0.509 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -135:sc= 0.304 (180deg=-1.46!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.001 1.129 -0.852 1.00 0.00 N ATOM 2 CA MET A 1 1.110 0.781 -1.762 1.00 0.00 C ATOM 3 C MET A 1 1.117 -0.729 -2.026 1.00 0.00 C ATOM 4 O MET A 1 0.062 -1.320 -2.240 1.00 0.00 O ATOM 5 CB MET A 1 2.448 1.274 -1.182 1.00 0.00 C ATOM 6 CG MET A 1 2.760 0.772 0.224 1.00 0.00 C ATOM 7 SD MET A 1 4.345 1.385 0.834 1.00 0.00 S ATOM 8 CE MET A 1 4.425 0.603 2.445 1.00 0.00 C ATOM 0 H1 MET A 1 0.154 2.081 -0.464 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.899 1.111 -1.377 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.041 0.440 -0.074 1.00 0.00 H new ATOM 0 HA MET A 1 0.968 1.282 -2.720 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.253 0.966 -1.849 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.443 2.364 -1.171 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.967 1.084 0.903 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.770 -0.318 0.224 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.733 1.336 3.191 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.443 0.209 2.707 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.148 -0.212 2.418 1.00 0.00 H new ATOM 18 N LYS A 2 2.291 -1.353 -1.983 1.00 0.00 N ATOM 19 CA LYS A 2 2.441 -2.748 -2.363 1.00 0.00 C ATOM 20 C LYS A 2 1.791 -3.643 -1.311 1.00 0.00 C ATOM 21 O LYS A 2 1.985 -3.446 -0.107 1.00 0.00 O ATOM 22 CB LYS A 2 3.934 -3.089 -2.515 1.00 0.00 C ATOM 23 CG LYS A 2 4.214 -4.287 -3.419 1.00 0.00 C ATOM 24 CD LYS A 2 3.876 -3.984 -4.880 1.00 0.00 C ATOM 25 CE LYS A 2 4.204 -5.155 -5.798 1.00 0.00 C ATOM 26 NZ LYS A 2 3.989 -4.819 -7.233 1.00 0.00 N ATOM 0 H LYS A 2 3.158 -0.906 -1.685 1.00 0.00 H new ATOM 0 HA LYS A 2 1.946 -2.918 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.455 -2.218 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.352 -3.287 -1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.265 -4.566 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.630 -5.143 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.816 -3.743 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.430 -3.103 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.241 -5.454 -5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.584 -6.010 -5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.224 -5.644 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.993 -4.559 -7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.599 -4.020 -7.498 1.00 0.00 H new ATOM 40 N VAL A 3 1.006 -4.605 -1.770 1.00 0.00 N ATOM 41 CA VAL A 3 0.292 -5.512 -0.886 1.00 0.00 C ATOM 42 C VAL A 3 0.088 -6.862 -1.580 1.00 0.00 C ATOM 43 O VAL A 3 -0.038 -6.921 -2.806 1.00 0.00 O ATOM 44 CB VAL A 3 -1.073 -4.902 -0.477 1.00 0.00 C ATOM 45 CG1 VAL A 3 -2.040 -4.860 -1.659 1.00 0.00 C ATOM 46 CG2 VAL A 3 -1.670 -5.648 0.707 1.00 0.00 C ATOM 0 H VAL A 3 0.846 -4.779 -2.762 1.00 0.00 H new ATOM 0 HA VAL A 3 0.884 -5.666 0.016 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.899 -3.872 -0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.988 -4.427 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.614 -4.251 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.209 -5.872 -2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.627 -5.200 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.821 -6.694 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.990 -5.585 1.557 1.00 0.00 H new ATOM 56 N MET A 4 0.075 -7.943 -0.803 1.00 0.00 N ATOM 57 CA MET A 4 -0.034 -9.290 -1.365 1.00 0.00 C ATOM 58 C MET A 4 -1.448 -9.839 -1.196 1.00 0.00 C ATOM 59 O MET A 4 -1.975 -9.890 -0.083 1.00 0.00 O ATOM 60 CB MET A 4 0.975 -10.234 -0.696 1.00 0.00 C ATOM 61 CG MET A 4 0.973 -11.646 -1.275 1.00 0.00 C ATOM 62 SD MET A 4 2.148 -12.736 -0.446 1.00 0.00 S ATOM 63 CE MET A 4 1.912 -14.261 -1.360 1.00 0.00 C ATOM 0 H MET A 4 0.138 -7.914 0.215 1.00 0.00 H new ATOM 0 HA MET A 4 0.189 -9.228 -2.430 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.975 -9.812 -0.795 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.756 -10.288 0.370 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.029 -12.067 -1.192 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.213 -11.600 -2.337 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.573 -15.030 -0.961 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.876 -14.586 -1.263 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.143 -14.094 -2.412 1.00 0.00 H new ATOM 73 N ILE A 5 -2.053 -10.245 -2.309 1.00 0.00 N ATOM 74 CA ILE A 5 -3.388 -10.840 -2.301 1.00 0.00 C ATOM 75 C ILE A 5 -3.290 -12.331 -2.618 1.00 0.00 C ATOM 76 O ILE A 5 -2.662 -12.722 -3.605 1.00 0.00 O ATOM 77 CB ILE A 5 -4.315 -10.153 -3.335 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.343 -8.632 -3.109 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.730 -10.737 -3.271 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.892 -8.212 -1.760 1.00 0.00 C ATOM 0 H ILE A 5 -1.636 -10.172 -3.237 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.816 -10.698 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.915 -10.344 -4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.330 -8.242 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.944 -8.171 -3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.363 -10.239 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.693 -11.805 -3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.142 -10.583 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.876 -7.125 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.917 -8.568 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.278 -8.641 -0.968 1.00 0.00 H new ATOM 92 N ARG A 6 -3.905 -13.156 -1.782 1.00 0.00 N ATOM 93 CA ARG A 6 -3.830 -14.605 -1.932 1.00 0.00 C ATOM 94 C ARG A 6 -5.096 -15.163 -2.578 1.00 0.00 C ATOM 95 O ARG A 6 -6.201 -15.017 -2.046 1.00 0.00 O ATOM 96 CB ARG A 6 -3.606 -15.277 -0.570 1.00 0.00 C ATOM 97 CG ARG A 6 -2.336 -14.822 0.147 1.00 0.00 C ATOM 98 CD ARG A 6 -2.151 -15.544 1.478 1.00 0.00 C ATOM 99 NE ARG A 6 -1.017 -15.019 2.239 1.00 0.00 N ATOM 100 CZ ARG A 6 -0.878 -15.146 3.558 1.00 0.00 C ATOM 101 NH1 ARG A 6 -1.778 -15.820 4.271 1.00 0.00 N ATOM 102 NH2 ARG A 6 0.170 -14.605 4.163 1.00 0.00 N ATOM 0 H ARG A 6 -4.465 -12.845 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.985 -14.824 -2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.465 -15.073 0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.564 -16.357 -0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.472 -15.007 -0.491 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.381 -13.747 0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.060 -15.447 2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.002 -16.608 1.294 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.286 -14.524 1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.582 -16.244 3.808 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.664 -15.912 5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.865 -14.094 3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.281 -14.699 5.173 1.00 0.00 H new ATOM 116 N LYS A 7 -4.922 -15.789 -3.737 1.00 0.00 N ATOM 117 CA LYS A 7 -5.990 -16.527 -4.402 1.00 0.00 C ATOM 118 C LYS A 7 -5.715 -18.022 -4.286 1.00 0.00 C ATOM 119 O LYS A 7 -4.701 -18.509 -4.781 1.00 0.00 O ATOM 120 CB LYS A 7 -6.087 -16.131 -5.886 1.00 0.00 C ATOM 121 CG LYS A 7 -6.794 -14.800 -6.145 1.00 0.00 C ATOM 122 CD LYS A 7 -8.293 -14.874 -5.845 1.00 0.00 C ATOM 123 CE LYS A 7 -9.007 -15.931 -6.692 1.00 0.00 C ATOM 124 NZ LYS A 7 -8.925 -15.648 -8.154 1.00 0.00 N ATOM 0 H LYS A 7 -4.036 -15.799 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.937 -16.285 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.081 -16.080 -6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.614 -16.918 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.340 -14.023 -5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.647 -14.509 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.438 -15.100 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.746 -13.899 -6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.570 -16.909 -6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.054 -15.983 -6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.350 -16.435 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.440 -14.770 -8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.928 -15.541 -8.432 1.00 0.00 H new ATOM 138 N THR A 8 -6.598 -18.737 -3.601 1.00 0.00 N ATOM 139 CA THR A 8 -6.498 -20.189 -3.499 1.00 0.00 C ATOM 140 C THR A 8 -7.892 -20.814 -3.603 1.00 0.00 C ATOM 141 O THR A 8 -8.468 -21.268 -2.610 1.00 0.00 O ATOM 142 CB THR A 8 -5.803 -20.603 -2.180 1.00 0.00 C ATOM 143 OG1 THR A 8 -4.551 -19.906 -2.070 1.00 0.00 O ATOM 144 CG2 THR A 8 -5.551 -22.109 -2.125 1.00 0.00 C ATOM 0 H THR A 8 -7.394 -18.335 -3.106 1.00 0.00 H new ATOM 0 HA THR A 8 -5.887 -20.557 -4.323 1.00 0.00 H new ATOM 0 HB THR A 8 -6.461 -20.342 -1.351 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.106 -20.163 -1.235 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.062 -22.362 -1.184 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.501 -22.640 -2.194 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.911 -22.401 -2.957 1.00 0.00 H new ATOM 152 N ALA A 9 -8.434 -20.794 -4.821 1.00 0.00 N ATOM 153 CA ALA A 9 -9.790 -21.268 -5.094 1.00 0.00 C ATOM 154 C ALA A 9 -10.810 -20.558 -4.196 1.00 0.00 C ATOM 155 O ALA A 9 -11.263 -19.456 -4.512 1.00 0.00 O ATOM 156 CB ALA A 9 -9.876 -22.787 -4.946 1.00 0.00 C ATOM 0 H ALA A 9 -7.944 -20.448 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.035 -21.023 -6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.894 -23.116 -5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.191 -23.260 -5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.604 -23.069 -3.929 1.00 0.00 H new ATOM 162 N THR A 10 -11.133 -21.172 -3.060 1.00 0.00 N ATOM 163 CA THR A 10 -12.093 -20.602 -2.118 1.00 0.00 C ATOM 164 C THR A 10 -11.364 -19.801 -1.037 1.00 0.00 C ATOM 165 O THR A 10 -11.919 -18.870 -0.447 1.00 0.00 O ATOM 166 CB THR A 10 -12.962 -21.707 -1.467 1.00 0.00 C ATOM 167 OG1 THR A 10 -13.986 -21.128 -0.642 1.00 0.00 O ATOM 168 CG2 THR A 10 -12.117 -22.660 -0.631 1.00 0.00 C ATOM 0 H THR A 10 -10.742 -22.068 -2.769 1.00 0.00 H new ATOM 0 HA THR A 10 -12.752 -19.934 -2.673 1.00 0.00 H new ATOM 0 HB THR A 10 -13.426 -22.272 -2.276 1.00 0.00 H new ATOM 0 HG1 THR A 10 -14.525 -21.841 -0.241 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.758 -23.422 -0.189 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.371 -23.137 -1.266 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.617 -22.103 0.161 1.00 0.00 H new ATOM 176 N GLY A 11 -10.110 -20.168 -0.791 1.00 0.00 N ATOM 177 CA GLY A 11 -9.290 -19.453 0.163 1.00 0.00 C ATOM 178 C GLY A 11 -8.897 -18.086 -0.357 1.00 0.00 C ATOM 179 O GLY A 11 -8.160 -17.977 -1.342 1.00 0.00 O ATOM 0 H GLY A 11 -9.646 -20.956 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.833 -19.344 1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.393 -20.033 0.380 1.00 0.00 H new ATOM 183 N HIS A 12 -9.413 -17.042 0.276 1.00 0.00 N ATOM 184 CA HIS A 12 -9.106 -15.672 -0.113 1.00 0.00 C ATOM 185 C HIS A 12 -8.604 -14.902 1.104 1.00 0.00 C ATOM 186 O HIS A 12 -9.316 -14.784 2.103 1.00 0.00 O ATOM 187 CB HIS A 12 -10.354 -14.980 -0.686 1.00 0.00 C ATOM 188 CG HIS A 12 -11.063 -15.772 -1.745 1.00 0.00 C ATOM 189 ND1 HIS A 12 -12.355 -16.230 -1.600 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.657 -16.184 -2.971 1.00 0.00 C ATOM 191 CE1 HIS A 12 -12.713 -16.886 -2.689 1.00 0.00 C ATOM 192 NE2 HIS A 12 -11.702 -16.874 -3.535 1.00 0.00 N ATOM 0 H HIS A 12 -10.051 -17.119 1.068 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.335 -15.688 -0.883 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.050 -14.778 0.128 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.062 -14.016 -1.103 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.692 -16.003 -3.420 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.672 -17.353 -2.858 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.697 -17.307 -4.459 1.00 0.00 H new ATOM 201 N SER A 13 -7.384 -14.396 1.028 1.00 0.00 N ATOM 202 CA SER A 13 -6.788 -13.646 2.127 1.00 0.00 C ATOM 203 C SER A 13 -5.856 -12.569 1.583 1.00 0.00 C ATOM 204 O SER A 13 -5.477 -12.604 0.412 1.00 0.00 O ATOM 205 CB SER A 13 -6.037 -14.601 3.066 1.00 0.00 C ATOM 206 OG SER A 13 -5.173 -15.457 2.339 1.00 0.00 O ATOM 0 H SER A 13 -6.781 -14.491 0.211 1.00 0.00 H new ATOM 0 HA SER A 13 -7.577 -13.155 2.697 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.459 -14.025 3.789 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.753 -15.197 3.632 1.00 0.00 H new ATOM 0 HG SER A 13 -4.828 -16.155 2.934 1.00 0.00 H new ATOM 212 N ALA A 14 -5.517 -11.599 2.423 1.00 0.00 N ATOM 213 CA ALA A 14 -4.617 -10.521 2.031 1.00 0.00 C ATOM 214 C ALA A 14 -3.651 -10.199 3.163 1.00 0.00 C ATOM 215 O ALA A 14 -4.029 -10.221 4.337 1.00 0.00 O ATOM 216 CB ALA A 14 -5.407 -9.277 1.632 1.00 0.00 C ATOM 0 H ALA A 14 -5.853 -11.537 3.384 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.041 -10.851 1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.717 -8.485 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.059 -9.514 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.010 -8.943 2.476 1.00 0.00 H new ATOM 222 N TYR A 15 -2.406 -9.907 2.804 1.00 0.00 N ATOM 223 CA TYR A 15 -1.382 -9.559 3.780 1.00 0.00 C ATOM 224 C TYR A 15 -0.941 -8.111 3.588 1.00 0.00 C ATOM 225 O TYR A 15 -0.207 -7.788 2.647 1.00 0.00 O ATOM 226 CB TYR A 15 -0.177 -10.508 3.664 1.00 0.00 C ATOM 227 CG TYR A 15 0.959 -10.176 4.619 1.00 0.00 C ATOM 228 CD1 TYR A 15 0.761 -10.188 5.995 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.222 -9.837 4.143 1.00 0.00 C ATOM 230 CE1 TYR A 15 1.786 -9.878 6.867 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.252 -9.524 5.011 1.00 0.00 C ATOM 232 CZ TYR A 15 3.028 -9.546 6.371 1.00 0.00 C ATOM 233 OH TYR A 15 4.049 -9.227 7.241 1.00 0.00 O ATOM 0 H TYR A 15 -2.081 -9.905 1.837 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.806 -9.666 4.779 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.511 -11.529 3.852 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.200 -10.479 2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.211 -10.444 6.389 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.401 -9.818 3.078 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.615 -9.896 7.933 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.227 -9.264 4.625 1.00 0.00 H new ATOM 0 HH TYR A 15 3.723 -9.285 8.163 1.00 0.00 H new ATOM 243 N VAL A 16 -1.409 -7.239 4.473 1.00 0.00 N ATOM 244 CA VAL A 16 -1.019 -5.839 4.458 1.00 0.00 C ATOM 245 C VAL A 16 0.388 -5.693 5.028 1.00 0.00 C ATOM 246 O VAL A 16 0.568 -5.502 6.235 1.00 0.00 O ATOM 247 CB VAL A 16 -2.010 -4.959 5.265 1.00 0.00 C ATOM 248 CG1 VAL A 16 -1.628 -3.480 5.181 1.00 0.00 C ATOM 249 CG2 VAL A 16 -3.442 -5.180 4.779 1.00 0.00 C ATOM 0 H VAL A 16 -2.065 -7.482 5.215 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.037 -5.495 3.424 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.953 -5.258 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.340 -2.887 5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.627 -3.339 5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.645 -3.158 4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.123 -4.555 5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.513 -4.916 3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.713 -6.228 4.909 1.00 0.00 H new ATOM 259 N ALA A 17 1.383 -5.815 4.150 1.00 0.00 N ATOM 260 CA ALA A 17 2.792 -5.718 4.536 1.00 0.00 C ATOM 261 C ALA A 17 3.071 -4.419 5.291 1.00 0.00 C ATOM 262 O ALA A 17 3.963 -4.359 6.139 1.00 0.00 O ATOM 263 CB ALA A 17 3.679 -5.821 3.299 1.00 0.00 C ATOM 0 H ALA A 17 1.237 -5.983 3.155 1.00 0.00 H new ATOM 0 HA ALA A 17 3.021 -6.546 5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.726 -5.748 3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.507 -6.778 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.439 -5.011 2.611 1.00 0.00 H new ATOM 269 N LYS A 18 2.291 -3.388 4.977 1.00 0.00 N ATOM 270 CA LYS A 18 2.416 -2.084 5.627 1.00 0.00 C ATOM 271 C LYS A 18 2.238 -2.196 7.145 1.00 0.00 C ATOM 272 O LYS A 18 2.937 -1.528 7.909 1.00 0.00 O ATOM 273 CB LYS A 18 1.384 -1.106 5.035 1.00 0.00 C ATOM 274 CG LYS A 18 1.296 0.236 5.761 1.00 0.00 C ATOM 275 CD LYS A 18 2.630 0.978 5.769 1.00 0.00 C ATOM 276 CE LYS A 18 2.558 2.250 6.603 1.00 0.00 C ATOM 277 NZ LYS A 18 3.883 2.913 6.722 1.00 0.00 N ATOM 0 H LYS A 18 1.558 -3.431 4.269 1.00 0.00 H new ATOM 0 HA LYS A 18 3.420 -1.704 5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.632 -0.924 3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.402 -1.579 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.540 0.857 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.968 0.071 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.408 0.325 6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.914 1.228 4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.846 2.941 6.150 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.182 2.011 7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.790 3.774 7.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.556 2.264 7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.231 3.165 5.775 1.00 0.00 H new ATOM 291 N LYS A 19 1.319 -3.056 7.577 1.00 0.00 N ATOM 292 CA LYS A 19 0.986 -3.170 9.000 1.00 0.00 C ATOM 293 C LYS A 19 1.318 -4.564 9.544 1.00 0.00 C ATOM 294 O LYS A 19 1.139 -4.825 10.735 1.00 0.00 O ATOM 295 CB LYS A 19 -0.507 -2.865 9.212 1.00 0.00 C ATOM 296 CG LYS A 19 -0.924 -2.796 10.681 1.00 0.00 C ATOM 297 CD LYS A 19 -2.437 -2.701 10.846 1.00 0.00 C ATOM 298 CE LYS A 19 -2.843 -2.655 12.316 1.00 0.00 C ATOM 299 NZ LYS A 19 -2.365 -3.846 13.076 1.00 0.00 N ATOM 0 H LYS A 19 0.792 -3.682 6.968 1.00 0.00 H new ATOM 0 HA LYS A 19 1.589 -2.445 9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.745 -1.916 8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.099 -3.632 8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.558 -3.680 11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.454 -1.932 11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.803 -1.808 10.339 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.910 -3.557 10.365 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.441 -1.751 12.773 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.929 -2.593 12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.134 -4.205 13.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.071 -4.588 12.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.557 -3.576 13.672 1.00 0.00 H new ATOM 313 N ASP A 20 1.807 -5.455 8.676 1.00 0.00 N ATOM 314 CA ASP A 20 2.047 -6.856 9.060 1.00 0.00 C ATOM 315 C ASP A 20 0.708 -7.529 9.396 1.00 0.00 C ATOM 316 O ASP A 20 0.642 -8.534 10.102 1.00 0.00 O ATOM 317 CB ASP A 20 3.042 -6.926 10.244 1.00 0.00 C ATOM 318 CG ASP A 20 3.298 -8.340 10.759 1.00 0.00 C ATOM 319 OD1 ASP A 20 3.842 -9.175 10.000 1.00 0.00 O ATOM 320 OD2 ASP A 20 2.976 -8.620 11.936 1.00 0.00 O ATOM 0 H ASP A 20 2.044 -5.237 7.708 1.00 0.00 H new ATOM 0 HA ASP A 20 2.499 -7.395 8.227 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.990 -6.486 9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.660 -6.316 11.063 1.00 0.00 H new ATOM 325 N LEU A 21 -0.364 -6.973 8.839 1.00 0.00 N ATOM 326 CA LEU A 21 -1.715 -7.469 9.080 1.00 0.00 C ATOM 327 C LEU A 21 -2.057 -8.550 8.058 1.00 0.00 C ATOM 328 O LEU A 21 -1.947 -8.328 6.853 1.00 0.00 O ATOM 329 CB LEU A 21 -2.722 -6.299 9.006 1.00 0.00 C ATOM 330 CG LEU A 21 -4.181 -6.605 9.425 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.917 -5.313 9.775 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.942 -7.350 8.325 1.00 0.00 C ATOM 0 H LEU A 21 -0.321 -6.170 8.211 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.772 -7.908 10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.350 -5.491 9.636 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.734 -5.926 7.982 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.139 -7.249 10.304 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.941 -5.545 10.067 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.408 -4.816 10.601 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.928 -4.654 8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.961 -7.546 8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.966 -6.740 7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.441 -8.295 8.112 1.00 0.00 H new ATOM 344 N GLU A 22 -2.458 -9.717 8.545 1.00 0.00 N ATOM 345 CA GLU A 22 -2.891 -10.812 7.682 1.00 0.00 C ATOM 346 C GLU A 22 -4.286 -11.256 8.096 1.00 0.00 C ATOM 347 O GLU A 22 -4.513 -11.586 9.263 1.00 0.00 O ATOM 348 CB GLU A 22 -1.914 -11.990 7.770 1.00 0.00 C ATOM 349 CG GLU A 22 -2.235 -13.118 6.795 1.00 0.00 C ATOM 350 CD GLU A 22 -1.289 -14.299 6.921 1.00 0.00 C ATOM 351 OE1 GLU A 22 -0.060 -14.096 6.830 1.00 0.00 O ATOM 352 OE2 GLU A 22 -1.767 -15.443 7.072 1.00 0.00 O ATOM 0 H GLU A 22 -2.493 -9.932 9.541 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.910 -10.464 6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.904 -11.629 7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.923 -12.385 8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.256 -13.458 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.193 -12.733 5.776 1.00 0.00 H new ATOM 359 N GLU A 23 -5.219 -11.266 7.150 1.00 0.00 N ATOM 360 CA GLU A 23 -6.602 -11.610 7.455 1.00 0.00 C ATOM 361 C GLU A 23 -7.311 -12.158 6.217 1.00 0.00 C ATOM 362 O GLU A 23 -6.850 -11.969 5.086 1.00 0.00 O ATOM 363 CB GLU A 23 -7.338 -10.372 7.993 1.00 0.00 C ATOM 364 CG GLU A 23 -8.732 -10.654 8.540 1.00 0.00 C ATOM 365 CD GLU A 23 -8.745 -11.725 9.617 1.00 0.00 C ATOM 366 OE1 GLU A 23 -8.418 -11.411 10.775 1.00 0.00 O ATOM 367 OE2 GLU A 23 -9.096 -12.884 9.303 1.00 0.00 O ATOM 0 H GLU A 23 -5.044 -11.041 6.171 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.609 -12.388 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.736 -9.921 8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.417 -9.636 7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.149 -9.733 8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.381 -10.963 7.721 1.00 0.00 H new ATOM 374 N LEU A 24 -8.431 -12.835 6.448 1.00 0.00 N ATOM 375 CA LEU A 24 -9.234 -13.415 5.379 1.00 0.00 C ATOM 376 C LEU A 24 -10.103 -12.347 4.718 1.00 0.00 C ATOM 377 O LEU A 24 -10.585 -11.421 5.380 1.00 0.00 O ATOM 378 CB LEU A 24 -10.120 -14.540 5.938 1.00 0.00 C ATOM 379 CG LEU A 24 -9.363 -15.713 6.588 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.339 -16.749 7.146 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.401 -16.356 5.588 1.00 0.00 C ATOM 0 H LEU A 24 -8.807 -12.997 7.382 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.562 -13.828 4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.798 -14.113 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.736 -14.931 5.128 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.777 -15.320 7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.780 -17.568 7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.974 -16.282 7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.959 -17.137 6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.876 -17.182 6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.963 -16.731 4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.677 -15.614 5.251 1.00 0.00 H new ATOM 393 N ILE A 25 -10.290 -12.478 3.410 1.00 0.00 N ATOM 394 CA ILE A 25 -11.136 -11.569 2.650 1.00 0.00 C ATOM 395 C ILE A 25 -12.604 -11.965 2.805 1.00 0.00 C ATOM 396 O ILE A 25 -13.014 -13.039 2.362 1.00 0.00 O ATOM 397 CB ILE A 25 -10.755 -11.568 1.147 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.327 -11.025 0.952 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.762 -10.756 0.336 1.00 0.00 C ATOM 400 CD1 ILE A 25 -8.866 -11.004 -0.495 1.00 0.00 C ATOM 0 H ILE A 25 -9.861 -13.214 2.849 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.984 -10.564 3.044 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.780 -12.596 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.276 -10.013 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.635 -11.634 1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.476 -10.768 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.755 -11.192 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.775 -9.727 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.852 -10.609 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.882 -12.017 -0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.533 -10.371 -1.080 1.00 0.00 H new ATOM 412 N VAL A 26 -13.386 -11.099 3.445 1.00 0.00 N ATOM 413 CA VAL A 26 -14.805 -11.366 3.683 1.00 0.00 C ATOM 414 C VAL A 26 -15.692 -10.551 2.746 1.00 0.00 C ATOM 415 O VAL A 26 -16.820 -10.944 2.443 1.00 0.00 O ATOM 416 CB VAL A 26 -15.204 -11.057 5.149 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.538 -12.040 6.109 1.00 0.00 C ATOM 418 CG2 VAL A 26 -14.852 -9.616 5.518 1.00 0.00 C ATOM 0 H VAL A 26 -13.061 -10.203 3.810 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.957 -12.427 3.487 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.284 -11.173 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.832 -11.805 7.132 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.851 -13.055 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.455 -11.963 6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.142 -9.424 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.778 -9.464 5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.385 -8.931 4.858 1.00 0.00 H new ATOM 428 N GLU A 27 -15.177 -9.416 2.294 1.00 0.00 N ATOM 429 CA GLU A 27 -15.942 -8.497 1.459 1.00 0.00 C ATOM 430 C GLU A 27 -15.115 -8.060 0.257 1.00 0.00 C ATOM 431 O GLU A 27 -14.090 -7.397 0.408 1.00 0.00 O ATOM 432 CB GLU A 27 -16.356 -7.273 2.285 1.00 0.00 C ATOM 433 CG GLU A 27 -17.331 -7.583 3.416 1.00 0.00 C ATOM 434 CD GLU A 27 -17.527 -6.403 4.352 1.00 0.00 C ATOM 435 OE1 GLU A 27 -18.148 -5.403 3.935 1.00 0.00 O ATOM 436 OE2 GLU A 27 -17.051 -6.462 5.507 1.00 0.00 O ATOM 0 H GLU A 27 -14.225 -9.107 2.493 1.00 0.00 H new ATOM 0 HA GLU A 27 -16.835 -9.007 1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.462 -6.814 2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.809 -6.537 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.293 -7.872 2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.964 -8.437 3.985 1.00 0.00 H new ATOM 443 N MET A 28 -15.551 -8.450 -0.932 1.00 0.00 N ATOM 444 CA MET A 28 -14.867 -8.080 -2.165 1.00 0.00 C ATOM 445 C MET A 28 -15.714 -7.074 -2.944 1.00 0.00 C ATOM 446 O MET A 28 -16.927 -6.996 -2.743 1.00 0.00 O ATOM 447 CB MET A 28 -14.623 -9.319 -3.049 1.00 0.00 C ATOM 448 CG MET A 28 -14.148 -10.560 -2.301 1.00 0.00 C ATOM 449 SD MET A 28 -15.405 -11.222 -1.183 1.00 0.00 S ATOM 450 CE MET A 28 -14.633 -12.750 -0.649 1.00 0.00 C ATOM 0 H MET A 28 -16.381 -9.027 -1.070 1.00 0.00 H new ATOM 0 HA MET A 28 -13.907 -7.637 -1.902 1.00 0.00 H new ATOM 0 HB2 MET A 28 -15.548 -9.561 -3.573 1.00 0.00 H new ATOM 0 HB3 MET A 28 -13.883 -9.065 -3.808 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.867 -11.328 -3.021 1.00 0.00 H new ATOM 0 HG3 MET A 28 -13.252 -10.315 -1.730 1.00 0.00 H new ATOM 0 HE1 MET A 28 -15.167 -13.597 -1.079 1.00 0.00 H new ATOM 0 HE2 MET A 28 -13.595 -12.769 -0.982 1.00 0.00 H new ATOM 0 HE3 MET A 28 -14.666 -12.814 0.439 1.00 0.00 H new ATOM 460 N GLU A 29 -15.074 -6.302 -3.815 1.00 0.00 N ATOM 461 CA GLU A 29 -15.791 -5.434 -4.746 1.00 0.00 C ATOM 462 C GLU A 29 -16.452 -6.285 -5.827 1.00 0.00 C ATOM 463 O GLU A 29 -17.643 -6.156 -6.114 1.00 0.00 O ATOM 464 CB GLU A 29 -14.817 -4.448 -5.403 1.00 0.00 C ATOM 465 CG GLU A 29 -15.490 -3.390 -6.272 1.00 0.00 C ATOM 466 CD GLU A 29 -16.250 -2.366 -5.450 1.00 0.00 C ATOM 467 OE1 GLU A 29 -15.616 -1.413 -4.958 1.00 0.00 O ATOM 468 OE2 GLU A 29 -17.475 -2.514 -5.272 1.00 0.00 O ATOM 0 H GLU A 29 -14.058 -6.259 -3.897 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.551 -4.876 -4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.241 -3.949 -4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.108 -5.007 -6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.735 -2.882 -6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.175 -3.876 -6.966 1.00 0.00 H new ATOM 475 N ASN A 30 -15.650 -7.169 -6.401 1.00 0.00 N ATOM 476 CA ASN A 30 -16.062 -8.017 -7.514 1.00 0.00 C ATOM 477 C ASN A 30 -16.521 -9.375 -6.985 1.00 0.00 C ATOM 478 O ASN A 30 -15.909 -9.920 -6.062 1.00 0.00 O ATOM 479 CB ASN A 30 -14.866 -8.181 -8.467 1.00 0.00 C ATOM 480 CG ASN A 30 -15.167 -8.900 -9.777 1.00 0.00 C ATOM 481 OD1 ASN A 30 -16.034 -9.760 -9.858 1.00 0.00 O ATOM 482 ND2 ASN A 30 -14.413 -8.566 -10.812 1.00 0.00 N ATOM 0 H ASN A 30 -14.685 -7.321 -6.106 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.895 -7.563 -8.051 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.469 -7.192 -8.698 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.080 -8.726 -7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.546 -9.030 -11.711 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.699 -7.845 -10.711 1.00 0.00 H new ATOM 489 N PRO A 31 -17.618 -9.923 -7.538 1.00 0.00 N ATOM 490 CA PRO A 31 -18.086 -11.280 -7.215 1.00 0.00 C ATOM 491 C PRO A 31 -16.956 -12.307 -7.329 1.00 0.00 C ATOM 492 O PRO A 31 -16.930 -13.309 -6.609 1.00 0.00 O ATOM 493 CB PRO A 31 -19.187 -11.544 -8.264 1.00 0.00 C ATOM 494 CG PRO A 31 -19.027 -10.453 -9.275 1.00 0.00 C ATOM 495 CD PRO A 31 -18.504 -9.274 -8.513 1.00 0.00 C ATOM 0 HA PRO A 31 -18.447 -11.365 -6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.069 -12.526 -8.721 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -20.178 -11.520 -7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.336 -10.748 -10.064 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -19.978 -10.220 -9.755 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.966 -8.577 -9.155 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.303 -8.711 -8.030 1.00 0.00 H new ATOM 503 N ALA A 32 -16.026 -12.046 -8.247 1.00 0.00 N ATOM 504 CA ALA A 32 -14.824 -12.857 -8.386 1.00 0.00 C ATOM 505 C ALA A 32 -13.838 -12.525 -7.267 1.00 0.00 C ATOM 506 O ALA A 32 -13.625 -13.334 -6.361 1.00 0.00 O ATOM 507 CB ALA A 32 -14.186 -12.640 -9.756 1.00 0.00 C ATOM 0 H ALA A 32 -16.086 -11.272 -8.909 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.097 -13.909 -8.306 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.289 -13.254 -9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.894 -12.921 -10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.918 -11.590 -9.871 1.00 0.00 H new ATOM 513 N LEU A 33 -13.261 -11.319 -7.321 1.00 0.00 N ATOM 514 CA LEU A 33 -12.323 -10.864 -6.292 1.00 0.00 C ATOM 515 C LEU A 33 -11.848 -9.430 -6.588 1.00 0.00 C ATOM 516 O LEU A 33 -12.260 -8.479 -5.919 1.00 0.00 O ATOM 517 CB LEU A 33 -11.114 -11.826 -6.205 1.00 0.00 C ATOM 518 CG LEU A 33 -10.463 -11.986 -4.811 1.00 0.00 C ATOM 519 CD1 LEU A 33 -9.937 -10.657 -4.275 1.00 0.00 C ATOM 520 CD2 LEU A 33 -11.448 -12.613 -3.827 1.00 0.00 C ATOM 0 H LEU A 33 -13.428 -10.642 -8.066 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.838 -10.863 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.435 -12.810 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.350 -11.479 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.609 -12.653 -4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.488 -10.813 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.187 -10.260 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.760 -9.948 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.972 -12.717 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.327 -11.975 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.750 -13.595 -4.190 1.00 0.00 H new ATOM 532 N TRP A 34 -11.000 -9.288 -7.609 1.00 0.00 N ATOM 533 CA TRP A 34 -10.360 -8.009 -7.937 1.00 0.00 C ATOM 534 C TRP A 34 -11.320 -7.096 -8.697 1.00 0.00 C ATOM 535 O TRP A 34 -12.113 -7.571 -9.508 1.00 0.00 O ATOM 536 CB TRP A 34 -9.104 -8.261 -8.786 1.00 0.00 C ATOM 537 CG TRP A 34 -8.086 -9.145 -8.120 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.275 -10.414 -7.653 1.00 0.00 C ATOM 539 CD2 TRP A 34 -6.714 -8.830 -7.866 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.113 -10.898 -7.110 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.141 -9.945 -7.229 1.00 0.00 C ATOM 542 CE3 TRP A 34 -5.920 -7.711 -8.108 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -4.807 -9.971 -6.837 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -4.599 -7.738 -7.720 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.053 -8.861 -7.088 1.00 0.00 C ATOM 0 H TRP A 34 -10.737 -10.053 -8.231 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.081 -7.516 -7.006 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.401 -8.714 -9.732 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -8.640 -7.304 -9.024 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.206 -10.958 -7.704 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -6.994 -11.818 -6.687 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.333 -6.838 -8.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.383 -10.838 -6.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -3.973 -6.878 -7.907 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.014 -8.849 -6.793 1.00 0.00 H new ATOM 556 N GLY A 35 -11.237 -5.786 -8.447 1.00 0.00 N ATOM 557 CA GLY A 35 -12.113 -4.843 -9.126 1.00 0.00 C ATOM 558 C GLY A 35 -11.924 -3.411 -8.657 1.00 0.00 C ATOM 559 O GLY A 35 -11.593 -2.528 -9.451 1.00 0.00 O ATOM 0 H GLY A 35 -10.581 -5.365 -7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.930 -4.895 -10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.150 -5.138 -8.964 1.00 0.00 H new ATOM 563 N GLY A 36 -12.109 -3.180 -7.359 1.00 0.00 N ATOM 564 CA GLY A 36 -12.080 -1.825 -6.830 1.00 0.00 C ATOM 565 C GLY A 36 -11.510 -1.769 -5.430 1.00 0.00 C ATOM 566 O GLY A 36 -10.384 -1.316 -5.230 1.00 0.00 O ATOM 0 H GLY A 36 -12.279 -3.907 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.484 -1.193 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.091 -1.417 -6.825 1.00 0.00 H new ATOM 570 N LYS A 37 -12.283 -2.233 -4.456 1.00 0.00 N ATOM 571 CA LYS A 37 -11.818 -2.303 -3.075 1.00 0.00 C ATOM 572 C LYS A 37 -12.138 -3.661 -2.461 1.00 0.00 C ATOM 573 O LYS A 37 -12.896 -4.454 -3.025 1.00 0.00 O ATOM 574 CB LYS A 37 -12.405 -1.146 -2.235 1.00 0.00 C ATOM 575 CG LYS A 37 -13.934 -1.002 -2.273 1.00 0.00 C ATOM 576 CD LYS A 37 -14.658 -2.055 -1.432 1.00 0.00 C ATOM 577 CE LYS A 37 -16.141 -1.728 -1.264 1.00 0.00 C ATOM 578 NZ LYS A 37 -16.865 -1.678 -2.562 1.00 0.00 N ATOM 0 H LYS A 37 -13.236 -2.567 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.734 -2.190 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.097 -1.282 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.962 -0.211 -2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.208 -0.009 -1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.274 -1.074 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.553 -3.032 -1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.188 -2.123 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.604 -2.477 -0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.243 -0.768 -0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.747 -1.139 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.267 -1.215 -3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.089 -2.645 -2.872 1.00 0.00 H new ATOM 592 N VAL A 38 -11.543 -3.922 -1.310 1.00 0.00 N ATOM 593 CA VAL A 38 -11.734 -5.170 -0.591 1.00 0.00 C ATOM 594 C VAL A 38 -11.653 -4.907 0.911 1.00 0.00 C ATOM 595 O VAL A 38 -11.043 -3.925 1.342 1.00 0.00 O ATOM 596 CB VAL A 38 -10.674 -6.227 -1.015 1.00 0.00 C ATOM 597 CG1 VAL A 38 -9.260 -5.771 -0.664 1.00 0.00 C ATOM 598 CG2 VAL A 38 -10.975 -7.584 -0.393 1.00 0.00 C ATOM 0 H VAL A 38 -10.910 -3.271 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.718 -5.570 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.730 -6.330 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.545 -6.533 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.041 -4.836 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.184 -5.618 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.219 -8.304 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.965 -7.497 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.957 -7.925 -0.721 1.00 0.00 H new ATOM 608 N THR A 39 -12.288 -5.758 1.704 1.00 0.00 N ATOM 609 CA THR A 39 -12.272 -5.615 3.155 1.00 0.00 C ATOM 610 C THR A 39 -12.001 -6.962 3.826 1.00 0.00 C ATOM 611 O THR A 39 -12.581 -7.988 3.451 1.00 0.00 O ATOM 612 CB THR A 39 -13.608 -5.035 3.678 1.00 0.00 C ATOM 613 OG1 THR A 39 -13.985 -3.895 2.892 1.00 0.00 O ATOM 614 CG2 THR A 39 -13.496 -4.623 5.143 1.00 0.00 C ATOM 0 H THR A 39 -12.823 -6.558 1.367 1.00 0.00 H new ATOM 0 HA THR A 39 -11.470 -4.920 3.406 1.00 0.00 H new ATOM 0 HB THR A 39 -14.368 -5.812 3.594 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.832 -3.533 3.226 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.450 -4.219 5.481 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.235 -5.492 5.747 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.722 -3.862 5.249 1.00 0.00 H new ATOM 622 N LEU A 40 -11.104 -6.948 4.808 1.00 0.00 N ATOM 623 CA LEU A 40 -10.731 -8.154 5.539 1.00 0.00 C ATOM 624 C LEU A 40 -11.680 -8.385 6.714 1.00 0.00 C ATOM 625 O LEU A 40 -12.476 -7.509 7.063 1.00 0.00 O ATOM 626 CB LEU A 40 -9.280 -8.055 6.047 1.00 0.00 C ATOM 627 CG LEU A 40 -8.184 -8.014 4.965 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.379 -9.140 3.954 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.139 -6.654 4.272 1.00 0.00 C ATOM 0 H LEU A 40 -10.618 -6.106 5.118 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.805 -9.000 4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.191 -7.157 6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.086 -8.906 6.700 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.223 -8.164 5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.594 -9.092 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.331 -10.101 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.351 -9.033 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.356 -6.658 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.101 -6.455 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.929 -5.878 5.008 1.00 0.00 H new ATOM 641 N ALA A 41 -11.577 -9.561 7.331 1.00 0.00 N ATOM 642 CA ALA A 41 -12.404 -9.906 8.491 1.00 0.00 C ATOM 643 C ALA A 41 -12.035 -9.041 9.702 1.00 0.00 C ATOM 644 O ALA A 41 -12.746 -9.019 10.709 1.00 0.00 O ATOM 645 CB ALA A 41 -12.259 -11.390 8.820 1.00 0.00 C ATOM 0 H ALA A 41 -10.927 -10.294 7.047 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.447 -9.706 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.878 -11.633 9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.579 -11.985 7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.216 -11.612 9.047 1.00 0.00 H new ATOM 651 N ASN A 42 -10.910 -8.340 9.588 1.00 0.00 N ATOM 652 CA ASN A 42 -10.440 -7.418 10.624 1.00 0.00 C ATOM 653 C ASN A 42 -11.165 -6.073 10.526 1.00 0.00 C ATOM 654 O ASN A 42 -11.228 -5.314 11.495 1.00 0.00 O ATOM 655 CB ASN A 42 -8.921 -7.215 10.484 1.00 0.00 C ATOM 656 CG ASN A 42 -8.376 -6.114 11.385 1.00 0.00 C ATOM 657 OD1 ASN A 42 -8.284 -4.953 10.981 1.00 0.00 O ATOM 658 ND2 ASN A 42 -8.013 -6.472 12.606 1.00 0.00 N ATOM 0 H ASN A 42 -10.296 -8.394 8.775 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.658 -7.849 11.601 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.413 -8.151 10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.687 -6.975 9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.641 -5.776 13.252 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.105 -7.444 12.901 1.00 0.00 H new ATOM 665 N GLY A 43 -11.727 -5.794 9.351 1.00 0.00 N ATOM 666 CA GLY A 43 -12.366 -4.509 9.105 1.00 0.00 C ATOM 667 C GLY A 43 -11.464 -3.575 8.324 1.00 0.00 C ATOM 668 O GLY A 43 -11.885 -2.501 7.888 1.00 0.00 O ATOM 0 H GLY A 43 -11.751 -6.438 8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.294 -4.664 8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.632 -4.047 10.056 1.00 0.00 H new ATOM 672 N TRP A 44 -10.210 -3.990 8.159 1.00 0.00 N ATOM 673 CA TRP A 44 -9.234 -3.237 7.380 1.00 0.00 C ATOM 674 C TRP A 44 -9.666 -3.188 5.914 1.00 0.00 C ATOM 675 O TRP A 44 -10.053 -4.213 5.340 1.00 0.00 O ATOM 676 CB TRP A 44 -7.850 -3.893 7.512 1.00 0.00 C ATOM 677 CG TRP A 44 -6.728 -3.089 6.916 1.00 0.00 C ATOM 678 CD1 TRP A 44 -6.265 -3.142 5.631 1.00 0.00 C ATOM 679 CD2 TRP A 44 -5.920 -2.118 7.593 1.00 0.00 C ATOM 680 NE1 TRP A 44 -5.218 -2.265 5.472 1.00 0.00 N ATOM 681 CE2 TRP A 44 -4.988 -1.626 6.661 1.00 0.00 C ATOM 682 CE3 TRP A 44 -5.896 -1.617 8.898 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -4.043 -0.657 6.995 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -4.960 -0.655 9.228 1.00 0.00 C ATOM 685 CH2 TRP A 44 -4.043 -0.185 8.280 1.00 0.00 C ATOM 0 H TRP A 44 -9.845 -4.854 8.560 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.176 -2.217 7.759 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.640 -4.062 8.568 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.876 -4.871 7.031 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.663 -3.779 4.855 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.697 -2.115 4.608 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.598 -1.976 9.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.336 -0.291 6.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.936 -0.260 10.233 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -3.321 0.565 8.568 1.00 0.00 H new ATOM 696 N GLN A 45 -9.608 -2.002 5.318 1.00 0.00 N ATOM 697 CA GLN A 45 -10.022 -1.812 3.930 1.00 0.00 C ATOM 698 C GLN A 45 -8.805 -1.587 3.036 1.00 0.00 C ATOM 699 O GLN A 45 -7.879 -0.860 3.400 1.00 0.00 O ATOM 700 CB GLN A 45 -10.984 -0.623 3.817 1.00 0.00 C ATOM 701 CG GLN A 45 -12.246 -0.768 4.657 1.00 0.00 C ATOM 702 CD GLN A 45 -13.214 0.384 4.454 1.00 0.00 C ATOM 703 OE1 GLN A 45 -14.082 0.331 3.584 1.00 0.00 O ATOM 704 NE2 GLN A 45 -13.067 1.434 5.246 1.00 0.00 N ATOM 0 H GLN A 45 -9.277 -1.153 5.776 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.538 -2.714 3.599 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.461 0.285 4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.267 -0.496 2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.742 -1.705 4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.973 -0.828 5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.334 1.439 5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.686 2.238 5.147 1.00 0.00 H new ATOM 713 N LEU A 46 -8.820 -2.212 1.864 1.00 0.00 N ATOM 714 CA LEU A 46 -7.713 -2.133 0.919 1.00 0.00 C ATOM 715 C LEU A 46 -8.271 -1.972 -0.498 1.00 0.00 C ATOM 716 O LEU A 46 -9.197 -2.678 -0.889 1.00 0.00 O ATOM 717 CB LEU A 46 -6.839 -3.403 1.056 1.00 0.00 C ATOM 718 CG LEU A 46 -5.489 -3.417 0.304 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.677 -3.683 -1.188 1.00 0.00 C ATOM 720 CD2 LEU A 46 -4.730 -2.110 0.529 1.00 0.00 C ATOM 0 H LEU A 46 -9.599 -2.787 1.543 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.085 -1.268 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.637 -3.561 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.426 -4.255 0.713 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.896 -4.236 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.706 -3.685 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.157 -4.652 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.303 -2.902 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.783 -2.142 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.327 -1.275 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.538 -1.980 1.594 1.00 0.00 H new ATOM 732 N GLU A 47 -7.727 -1.022 -1.249 1.00 0.00 N ATOM 733 CA GLU A 47 -8.185 -0.750 -2.609 1.00 0.00 C ATOM 734 C GLU A 47 -7.499 -1.707 -3.581 1.00 0.00 C ATOM 735 O GLU A 47 -6.285 -1.645 -3.773 1.00 0.00 O ATOM 736 CB GLU A 47 -7.892 0.709 -2.989 1.00 0.00 C ATOM 737 CG GLU A 47 -8.622 1.185 -4.237 1.00 0.00 C ATOM 738 CD GLU A 47 -8.260 2.609 -4.628 1.00 0.00 C ATOM 739 OE1 GLU A 47 -8.812 3.557 -4.031 1.00 0.00 O ATOM 740 OE2 GLU A 47 -7.428 2.792 -5.541 1.00 0.00 O ATOM 0 H GLU A 47 -6.963 -0.422 -0.938 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.263 -0.905 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.166 1.353 -2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.819 0.825 -3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.389 0.516 -5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.697 1.122 -4.069 1.00 0.00 H new ATOM 747 N LEU A 48 -8.286 -2.590 -4.179 1.00 0.00 N ATOM 748 CA LEU A 48 -7.762 -3.658 -5.019 1.00 0.00 C ATOM 749 C LEU A 48 -8.025 -3.352 -6.494 1.00 0.00 C ATOM 750 O LEU A 48 -9.182 -3.279 -6.912 1.00 0.00 O ATOM 751 CB LEU A 48 -8.431 -4.982 -4.628 1.00 0.00 C ATOM 752 CG LEU A 48 -7.764 -6.247 -5.183 1.00 0.00 C ATOM 753 CD1 LEU A 48 -6.288 -6.292 -4.797 1.00 0.00 C ATOM 754 CD2 LEU A 48 -8.489 -7.497 -4.690 1.00 0.00 C ATOM 0 H LEU A 48 -9.303 -2.587 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.685 -3.736 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.453 -5.051 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.467 -4.960 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.831 -6.220 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.834 -7.197 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.779 -5.418 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.196 -6.293 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.001 -8.384 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.457 -7.530 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.527 -7.471 -5.022 1.00 0.00 H new ATOM 766 N PRO A 49 -6.969 -3.172 -7.312 1.00 0.00 N ATOM 767 CA PRO A 49 -7.124 -2.846 -8.731 1.00 0.00 C ATOM 768 C PRO A 49 -7.561 -4.069 -9.541 1.00 0.00 C ATOM 769 O PRO A 49 -7.307 -5.208 -9.143 1.00 0.00 O ATOM 770 CB PRO A 49 -5.714 -2.375 -9.161 1.00 0.00 C ATOM 771 CG PRO A 49 -4.902 -2.320 -7.900 1.00 0.00 C ATOM 772 CD PRO A 49 -5.546 -3.290 -6.952 1.00 0.00 C ATOM 0 HA PRO A 49 -7.893 -2.092 -8.901 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.273 -3.065 -9.881 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.757 -1.398 -9.642 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.864 -2.592 -8.092 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.896 -1.313 -7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.173 -4.305 -7.091 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.365 -3.024 -5.911 1.00 0.00 H new ATOM 780 N ALA A 50 -8.214 -3.836 -10.671 1.00 0.00 N ATOM 781 CA ALA A 50 -8.651 -4.922 -11.538 1.00 0.00 C ATOM 782 C ALA A 50 -7.472 -5.435 -12.359 1.00 0.00 C ATOM 783 O ALA A 50 -7.347 -5.145 -13.549 1.00 0.00 O ATOM 784 CB ALA A 50 -9.797 -4.465 -12.439 1.00 0.00 C ATOM 0 H ALA A 50 -8.453 -2.904 -11.009 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.024 -5.741 -10.922 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.109 -5.291 -13.079 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.638 -4.145 -11.824 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.463 -3.632 -13.058 1.00 0.00 H new ATOM 790 N MET A 51 -6.582 -6.170 -11.699 1.00 0.00 N ATOM 791 CA MET A 51 -5.388 -6.704 -12.349 1.00 0.00 C ATOM 792 C MET A 51 -5.677 -8.090 -12.912 1.00 0.00 C ATOM 793 O MET A 51 -5.479 -8.345 -14.102 1.00 0.00 O ATOM 794 CB MET A 51 -4.213 -6.767 -11.360 1.00 0.00 C ATOM 795 CG MET A 51 -3.767 -5.405 -10.834 1.00 0.00 C ATOM 796 SD MET A 51 -3.173 -4.306 -12.139 1.00 0.00 S ATOM 797 CE MET A 51 -2.619 -2.899 -11.175 1.00 0.00 C ATOM 0 H MET A 51 -6.665 -6.410 -10.711 1.00 0.00 H new ATOM 0 HA MET A 51 -5.112 -6.038 -13.167 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.496 -7.396 -10.516 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.367 -7.251 -11.848 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.601 -4.930 -10.318 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.976 -5.547 -10.098 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.806 -2.396 -11.699 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.447 -2.203 -11.038 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.267 -3.241 -10.202 1.00 0.00 H new ATOM 807 N ALA A 52 -6.152 -8.980 -12.047 1.00 0.00 N ATOM 808 CA ALA A 52 -6.491 -10.341 -12.438 1.00 0.00 C ATOM 809 C ALA A 52 -7.377 -10.989 -11.379 1.00 0.00 C ATOM 810 O ALA A 52 -6.885 -11.503 -10.377 1.00 0.00 O ATOM 811 CB ALA A 52 -5.226 -11.169 -12.660 1.00 0.00 C ATOM 0 H ALA A 52 -6.312 -8.778 -11.060 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.042 -10.304 -13.378 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.501 -12.183 -12.951 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.627 -10.714 -13.449 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.646 -11.201 -11.738 1.00 0.00 H new ATOM 817 N ALA A 53 -8.686 -10.926 -11.589 1.00 0.00 N ATOM 818 CA ALA A 53 -9.642 -11.534 -10.670 1.00 0.00 C ATOM 819 C ALA A 53 -9.594 -13.055 -10.775 1.00 0.00 C ATOM 820 O ALA A 53 -9.787 -13.766 -9.784 1.00 0.00 O ATOM 821 CB ALA A 53 -11.051 -11.018 -10.952 1.00 0.00 C ATOM 0 H ALA A 53 -9.111 -10.459 -12.390 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.370 -11.255 -9.652 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.753 -11.480 -10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.074 -9.936 -10.824 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.332 -11.269 -11.975 1.00 0.00 H new ATOM 827 N ASP A 54 -9.310 -13.535 -11.982 1.00 0.00 N ATOM 828 CA ASP A 54 -9.308 -14.965 -12.285 1.00 0.00 C ATOM 829 C ASP A 54 -8.221 -15.708 -11.513 1.00 0.00 C ATOM 830 O ASP A 54 -8.517 -16.671 -10.807 1.00 0.00 O ATOM 831 CB ASP A 54 -9.101 -15.186 -13.789 1.00 0.00 C ATOM 832 CG ASP A 54 -10.182 -14.528 -14.631 1.00 0.00 C ATOM 833 OD1 ASP A 54 -10.174 -13.284 -14.744 1.00 0.00 O ATOM 834 OD2 ASP A 54 -11.044 -15.250 -15.179 1.00 0.00 O ATOM 0 H ASP A 54 -9.074 -12.944 -12.779 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.276 -15.363 -11.979 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.128 -14.790 -14.080 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.085 -16.256 -13.996 1.00 0.00 H new ATOM 839 N THR A 55 -6.980 -15.212 -11.631 1.00 0.00 N ATOM 840 CA THR A 55 -5.768 -15.909 -11.155 1.00 0.00 C ATOM 841 C THR A 55 -6.029 -16.841 -9.959 1.00 0.00 C ATOM 842 O THR A 55 -6.503 -16.405 -8.907 1.00 0.00 O ATOM 843 CB THR A 55 -4.646 -14.902 -10.783 1.00 0.00 C ATOM 844 OG1 THR A 55 -3.477 -15.610 -10.341 1.00 0.00 O ATOM 845 CG2 THR A 55 -5.095 -13.930 -9.694 1.00 0.00 C ATOM 0 H THR A 55 -6.784 -14.309 -12.063 1.00 0.00 H new ATOM 0 HA THR A 55 -5.446 -16.529 -11.992 1.00 0.00 H new ATOM 0 HB THR A 55 -4.414 -14.324 -11.677 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.428 -15.581 -9.363 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.282 -13.242 -9.462 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.959 -13.365 -10.044 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.365 -14.488 -8.797 1.00 0.00 H new ATOM 853 N PRO A 56 -5.732 -18.150 -10.116 1.00 0.00 N ATOM 854 CA PRO A 56 -5.912 -19.147 -9.056 1.00 0.00 C ATOM 855 C PRO A 56 -4.708 -19.224 -8.117 1.00 0.00 C ATOM 856 O PRO A 56 -4.604 -20.141 -7.298 1.00 0.00 O ATOM 857 CB PRO A 56 -6.059 -20.444 -9.854 1.00 0.00 C ATOM 858 CG PRO A 56 -5.162 -20.248 -11.031 1.00 0.00 C ATOM 859 CD PRO A 56 -5.212 -18.771 -11.358 1.00 0.00 C ATOM 0 HA PRO A 56 -6.755 -18.921 -8.403 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.760 -21.311 -9.265 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.092 -20.608 -10.162 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.144 -20.562 -10.801 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.496 -20.846 -11.879 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.226 -18.385 -11.615 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.864 -18.572 -12.208 1.00 0.00 H new ATOM 867 N LEU A 57 -3.799 -18.262 -8.253 1.00 0.00 N ATOM 868 CA LEU A 57 -2.592 -18.205 -7.435 1.00 0.00 C ATOM 869 C LEU A 57 -2.394 -16.795 -6.864 1.00 0.00 C ATOM 870 O LEU A 57 -2.877 -15.815 -7.443 1.00 0.00 O ATOM 871 CB LEU A 57 -1.373 -18.665 -8.267 1.00 0.00 C ATOM 872 CG LEU A 57 -1.171 -17.970 -9.635 1.00 0.00 C ATOM 873 CD1 LEU A 57 -0.525 -16.592 -9.480 1.00 0.00 C ATOM 874 CD2 LEU A 57 -0.341 -18.850 -10.570 1.00 0.00 C ATOM 0 H LEU A 57 -3.878 -17.503 -8.930 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.697 -18.884 -6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.474 -18.511 -7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.462 -19.738 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.157 -17.824 -10.076 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.400 -16.136 -10.462 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.163 -15.958 -8.865 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.449 -16.698 -9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.211 -18.343 -11.526 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.635 -19.037 -10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.855 -19.798 -10.729 1.00 0.00 H new ATOM 886 N PRO A 58 -1.710 -16.680 -5.705 1.00 0.00 N ATOM 887 CA PRO A 58 -1.458 -15.386 -5.053 1.00 0.00 C ATOM 888 C PRO A 58 -0.526 -14.486 -5.868 1.00 0.00 C ATOM 889 O PRO A 58 0.345 -14.971 -6.598 1.00 0.00 O ATOM 890 CB PRO A 58 -0.805 -15.778 -3.716 1.00 0.00 C ATOM 891 CG PRO A 58 -0.211 -17.121 -3.963 1.00 0.00 C ATOM 892 CD PRO A 58 -1.137 -17.803 -4.935 1.00 0.00 C ATOM 0 HA PRO A 58 -2.374 -14.805 -4.939 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -0.043 -15.056 -3.421 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.540 -15.812 -2.912 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.795 -17.035 -4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.128 -17.689 -3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.601 -18.500 -5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.910 -18.374 -4.421 1.00 0.00 H new ATOM 900 N ILE A 59 -0.716 -13.177 -5.734 1.00 0.00 N ATOM 901 CA ILE A 59 0.100 -12.191 -6.438 1.00 0.00 C ATOM 902 C ILE A 59 0.164 -10.888 -5.638 1.00 0.00 C ATOM 903 O ILE A 59 -0.788 -10.529 -4.939 1.00 0.00 O ATOM 904 CB ILE A 59 -0.452 -11.915 -7.867 1.00 0.00 C ATOM 905 CG1 ILE A 59 0.354 -10.799 -8.564 1.00 0.00 C ATOM 906 CG2 ILE A 59 -1.938 -11.565 -7.814 1.00 0.00 C ATOM 907 CD1 ILE A 59 -0.155 -10.434 -9.945 1.00 0.00 C ATOM 0 H ILE A 59 -1.436 -12.770 -5.137 1.00 0.00 H new ATOM 0 HA ILE A 59 1.106 -12.599 -6.538 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.339 -12.826 -8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.338 -9.908 -7.936 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.395 -11.114 -8.644 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.303 -11.376 -8.823 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.492 -12.396 -7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.080 -10.673 -7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.466 -9.643 -10.364 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.112 -11.310 -10.592 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.185 -10.086 -9.873 1.00 0.00 H new ATOM 919 N THR A 60 1.297 -10.200 -5.727 1.00 0.00 N ATOM 920 CA THR A 60 1.504 -8.941 -5.021 1.00 0.00 C ATOM 921 C THR A 60 1.341 -7.757 -5.984 1.00 0.00 C ATOM 922 O THR A 60 1.957 -7.728 -7.055 1.00 0.00 O ATOM 923 CB THR A 60 2.910 -8.916 -4.377 1.00 0.00 C ATOM 924 OG1 THR A 60 3.128 -10.139 -3.656 1.00 0.00 O ATOM 925 CG2 THR A 60 3.072 -7.733 -3.428 1.00 0.00 C ATOM 0 H THR A 60 2.095 -10.498 -6.288 1.00 0.00 H new ATOM 0 HA THR A 60 0.755 -8.855 -4.233 1.00 0.00 H new ATOM 0 HB THR A 60 3.645 -8.812 -5.176 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.019 -10.124 -3.249 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.072 -7.749 -2.995 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.929 -6.803 -3.978 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.331 -7.801 -2.632 1.00 0.00 H new ATOM 933 N VAL A 61 0.505 -6.787 -5.608 1.00 0.00 N ATOM 934 CA VAL A 61 0.215 -5.631 -6.462 1.00 0.00 C ATOM 935 C VAL A 61 0.308 -4.324 -5.680 1.00 0.00 C ATOM 936 O VAL A 61 0.521 -4.327 -4.469 1.00 0.00 O ATOM 937 CB VAL A 61 -1.201 -5.720 -7.089 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.312 -6.914 -8.031 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.272 -5.780 -5.998 1.00 0.00 C ATOM 0 H VAL A 61 0.014 -6.779 -4.714 1.00 0.00 H new ATOM 0 HA VAL A 61 0.964 -5.643 -7.253 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.366 -4.818 -7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.315 -6.951 -8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.582 -6.813 -8.834 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.118 -7.833 -7.478 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.258 -5.842 -6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.107 -6.659 -5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.215 -4.882 -5.383 1.00 0.00 H new ATOM 949 N GLU A 62 0.163 -3.214 -6.395 1.00 0.00 N ATOM 950 CA GLU A 62 0.054 -1.894 -5.781 1.00 0.00 C ATOM 951 C GLU A 62 -1.363 -1.697 -5.246 1.00 0.00 C ATOM 952 O GLU A 62 -2.283 -2.408 -5.661 1.00 0.00 O ATOM 953 CB GLU A 62 0.391 -0.809 -6.811 1.00 0.00 C ATOM 954 CG GLU A 62 -0.495 -0.846 -8.052 1.00 0.00 C ATOM 955 CD GLU A 62 -0.137 0.232 -9.059 1.00 0.00 C ATOM 956 OE1 GLU A 62 -0.562 1.391 -8.875 1.00 0.00 O ATOM 957 OE2 GLU A 62 0.576 -0.073 -10.043 1.00 0.00 O ATOM 0 H GLU A 62 0.118 -3.203 -7.414 1.00 0.00 H new ATOM 0 HA GLU A 62 0.760 -1.819 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.299 0.169 -6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.432 -0.920 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.409 -1.824 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.537 -0.727 -7.754 1.00 0.00 H new ATOM 964 N ALA A 63 -1.545 -0.736 -4.341 1.00 0.00 N ATOM 965 CA ALA A 63 -2.843 -0.546 -3.700 1.00 0.00 C ATOM 966 C ALA A 63 -2.932 0.777 -2.936 1.00 0.00 C ATOM 967 O ALA A 63 -1.919 1.377 -2.574 1.00 0.00 O ATOM 968 CB ALA A 63 -3.115 -1.703 -2.750 1.00 0.00 C ATOM 0 H ALA A 63 -0.820 -0.085 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.595 -0.516 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.084 -1.561 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.120 -2.639 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.336 -1.739 -1.988 1.00 0.00 H new ATOM 974 N ARG A 64 -4.166 1.207 -2.690 1.00 0.00 N ATOM 975 CA ARG A 64 -4.461 2.366 -1.846 1.00 0.00 C ATOM 976 C ARG A 64 -5.181 1.888 -0.583 1.00 0.00 C ATOM 977 O ARG A 64 -5.999 0.978 -0.646 1.00 0.00 O ATOM 978 CB ARG A 64 -5.336 3.375 -2.619 1.00 0.00 C ATOM 979 CG ARG A 64 -6.088 4.375 -1.737 1.00 0.00 C ATOM 980 CD ARG A 64 -5.153 5.324 -0.995 1.00 0.00 C ATOM 981 NE ARG A 64 -5.857 6.071 0.051 1.00 0.00 N ATOM 982 CZ ARG A 64 -5.570 7.323 0.408 1.00 0.00 C ATOM 983 NH1 ARG A 64 -4.593 7.990 -0.193 1.00 0.00 N ATOM 984 NH2 ARG A 64 -6.263 7.908 1.372 1.00 0.00 N ATOM 0 H ARG A 64 -4.998 0.759 -3.073 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.534 2.866 -1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.703 3.928 -3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.060 2.823 -3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.773 4.956 -2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.695 3.831 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.336 4.756 -0.549 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.706 6.022 -1.703 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.619 5.601 0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.054 7.545 -0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.381 8.948 0.088 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.014 7.401 1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.046 8.866 1.647 1.00 0.00 H new ATOM 998 N LYS A 65 -4.873 2.485 0.561 1.00 0.00 N ATOM 999 CA LYS A 65 -5.520 2.100 1.816 1.00 0.00 C ATOM 1000 C LYS A 65 -6.684 3.048 2.105 1.00 0.00 C ATOM 1001 O LYS A 65 -6.506 4.268 2.113 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.496 2.125 2.970 1.00 0.00 C ATOM 1003 CG LYS A 65 -4.809 1.162 4.122 1.00 0.00 C ATOM 1004 CD LYS A 65 -6.035 1.575 4.940 1.00 0.00 C ATOM 1005 CE LYS A 65 -5.805 2.873 5.707 1.00 0.00 C ATOM 1006 NZ LYS A 65 -6.982 3.245 6.537 1.00 0.00 N ATOM 0 H LYS A 65 -4.185 3.233 0.650 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.908 1.085 1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.511 1.884 2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.440 3.139 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.971 0.163 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.944 1.103 4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.890 1.695 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.286 0.780 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.929 2.766 6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.589 3.677 5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.184 4.258 6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.808 2.690 6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.778 3.047 7.537 1.00 0.00 H new ATOM 1020 N LEU A 66 -7.871 2.486 2.326 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.050 3.281 2.662 1.00 0.00 C ATOM 1022 C LEU A 66 -9.063 3.556 4.165 1.00 0.00 C ATOM 1023 O LEU A 66 -8.700 4.674 4.575 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.355 2.573 2.234 1.00 0.00 C ATOM 1025 CG LEU A 66 -10.549 2.354 0.720 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -10.355 3.656 -0.053 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -9.619 1.264 0.199 1.00 0.00 C ATOM 1028 OXT LEU A 66 -9.389 2.634 4.939 1.00 0.00 O ATOM 0 H LEU A 66 -8.042 1.481 2.278 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.997 4.223 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.395 1.602 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.198 3.155 2.606 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.575 2.021 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.498 3.472 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.082 4.393 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.347 4.034 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.778 1.131 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.583 1.553 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.830 0.328 0.716 1.00 0.00 H new TER 1040 LEU A 66