USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 MET CE :methyl -174:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 HIS : no HE2:sc= -0.0758 K(o=-0.076,f=-5.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 98:sc= -0.634 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 43:sc= 0.0935 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc=-0.00836 X(o=-0.0084,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0757 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 28:sc= 0.318 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 40:sc= 0.924 USER MOD Single : A 59 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.067) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 79:sc= 0.983 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.159 -15.747 -6.269 1.00 0.00 N ATOM 2 CA MET A 1 -14.881 -14.529 -7.012 1.00 0.00 C ATOM 3 C MET A 1 -14.628 -13.354 -6.065 1.00 0.00 C ATOM 4 O MET A 1 -15.454 -13.058 -5.203 1.00 0.00 O ATOM 5 CB MET A 1 -16.068 -14.205 -7.922 1.00 0.00 C ATOM 6 CG MET A 1 -15.698 -13.127 -8.942 1.00 0.00 C ATOM 7 SD MET A 1 -17.059 -12.855 -10.065 1.00 0.00 S ATOM 8 CE MET A 1 -16.459 -11.418 -10.937 1.00 0.00 C ATOM 0 H1 MET A 1 -15.327 -16.529 -6.934 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.346 -15.977 -5.663 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.003 -15.608 -5.678 1.00 0.00 H new ATOM 0 HA MET A 1 -13.984 -14.687 -7.611 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.389 -15.108 -8.442 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.911 -13.867 -7.320 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.449 -12.199 -8.428 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.812 -13.431 -9.499 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.193 -11.112 -11.682 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.299 -10.604 -10.230 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.518 -11.659 -11.432 1.00 0.00 H new ATOM 18 N SER A 2 -13.483 -12.717 -6.258 1.00 0.00 N ATOM 19 CA SER A 2 -13.111 -11.581 -5.432 1.00 0.00 C ATOM 20 C SER A 2 -12.552 -12.068 -4.093 1.00 0.00 C ATOM 21 O SER A 2 -11.398 -11.800 -3.764 1.00 0.00 O ATOM 22 CB SER A 2 -14.304 -10.652 -5.203 1.00 0.00 C ATOM 23 OG SER A 2 -13.895 -9.320 -4.905 1.00 0.00 O ATOM 0 H SER A 2 -12.801 -12.966 -6.974 1.00 0.00 H new ATOM 0 HA SER A 2 -12.340 -11.015 -5.956 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.935 -10.647 -6.092 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.911 -11.037 -4.383 1.00 0.00 H new ATOM 0 HG SER A 2 -14.686 -8.758 -4.767 1.00 0.00 H new ATOM 29 N THR A 3 -13.397 -12.775 -3.358 1.00 0.00 N ATOM 30 CA THR A 3 -13.003 -13.302 -2.063 1.00 0.00 C ATOM 31 C THR A 3 -12.459 -12.181 -1.174 1.00 0.00 C ATOM 32 O THR A 3 -12.233 -11.067 -1.643 1.00 0.00 O ATOM 33 CB THR A 3 -11.998 -14.432 -2.298 1.00 0.00 C ATOM 34 OG1 THR A 3 -10.767 -13.757 -2.543 1.00 0.00 O ATOM 35 CG2 THR A 3 -12.269 -15.196 -3.596 1.00 0.00 C ATOM 0 H THR A 3 -14.354 -12.995 -3.635 1.00 0.00 H new ATOM 0 HA THR A 3 -13.858 -13.714 -1.527 1.00 0.00 H new ATOM 0 HB THR A 3 -12.027 -15.124 -1.456 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.239 -13.731 -1.718 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.528 -15.986 -3.715 1.00 0.00 H new ATOM 0 HG22 THR A 3 -13.266 -15.636 -3.558 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.207 -14.511 -4.441 1.00 0.00 H new ATOM 43 N ASP A 4 -12.265 -12.516 0.093 1.00 0.00 N ATOM 44 CA ASP A 4 -11.752 -11.552 1.051 1.00 0.00 C ATOM 45 C ASP A 4 -12.819 -10.487 1.318 1.00 0.00 C ATOM 46 O ASP A 4 -13.321 -10.373 2.434 1.00 0.00 O ATOM 47 CB ASP A 4 -10.506 -10.847 0.511 1.00 0.00 C ATOM 48 CG ASP A 4 -9.565 -11.734 -0.307 1.00 0.00 C ATOM 49 OD1 ASP A 4 -9.806 -12.939 -0.472 1.00 0.00 O ATOM 50 OD2 ASP A 4 -8.533 -11.132 -0.792 1.00 0.00 O ATOM 0 H ASP A 4 -12.454 -13.441 0.478 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.495 -12.089 1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.822 -10.008 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.950 -10.430 1.351 1.00 0.00 H new ATOM 55 N THR A 5 -13.133 -9.735 0.273 1.00 0.00 N ATOM 56 CA THR A 5 -14.130 -8.684 0.380 1.00 0.00 C ATOM 57 C THR A 5 -15.499 -9.200 -0.070 1.00 0.00 C ATOM 58 O THR A 5 -16.436 -9.258 0.724 1.00 0.00 O ATOM 59 CB THR A 5 -13.638 -7.482 -0.428 1.00 0.00 C ATOM 60 OG1 THR A 5 -12.596 -6.930 0.372 1.00 0.00 O ATOM 61 CG2 THR A 5 -14.680 -6.364 -0.506 1.00 0.00 C ATOM 0 H THR A 5 -12.714 -9.833 -0.652 1.00 0.00 H new ATOM 0 HA THR A 5 -14.261 -8.367 1.414 1.00 0.00 H new ATOM 0 HB THR A 5 -13.375 -7.804 -1.435 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.219 -6.146 -0.078 1.00 0.00 H new ATOM 0 HG21 THR A 5 -14.281 -5.535 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 5 -15.584 -6.742 -0.983 1.00 0.00 H new ATOM 0 HG23 THR A 5 -14.918 -6.018 0.500 1.00 0.00 H new ATOM 69 N GLY A 6 -15.570 -9.561 -1.343 1.00 0.00 N ATOM 70 CA GLY A 6 -16.808 -10.070 -1.909 1.00 0.00 C ATOM 71 C GLY A 6 -17.191 -9.298 -3.173 1.00 0.00 C ATOM 72 O GLY A 6 -17.232 -9.867 -4.263 1.00 0.00 O ATOM 0 H GLY A 6 -14.790 -9.511 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -16.696 -11.128 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -17.608 -9.990 -1.173 1.00 0.00 H new ATOM 76 N VAL A 7 -17.462 -8.015 -2.985 1.00 0.00 N ATOM 77 CA VAL A 7 -17.841 -7.160 -4.097 1.00 0.00 C ATOM 78 C VAL A 7 -16.791 -6.060 -4.268 1.00 0.00 C ATOM 79 O VAL A 7 -16.613 -5.224 -3.384 1.00 0.00 O ATOM 80 CB VAL A 7 -19.252 -6.611 -3.877 1.00 0.00 C ATOM 81 CG1 VAL A 7 -19.291 -5.662 -2.677 1.00 0.00 C ATOM 82 CG2 VAL A 7 -19.774 -5.921 -5.139 1.00 0.00 C ATOM 0 H VAL A 7 -17.427 -7.547 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.870 -7.730 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 7 -19.909 -7.453 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -20.305 -5.286 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.981 -6.197 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -18.614 -4.826 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -20.779 -5.540 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -19.114 -5.094 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -19.802 -6.637 -5.960 1.00 0.00 H new ATOM 92 N SER A 8 -16.125 -6.096 -5.413 1.00 0.00 N ATOM 93 CA SER A 8 -15.098 -5.113 -5.712 1.00 0.00 C ATOM 94 C SER A 8 -15.453 -4.359 -6.995 1.00 0.00 C ATOM 95 O SER A 8 -15.324 -4.899 -8.093 1.00 0.00 O ATOM 96 CB SER A 8 -13.725 -5.774 -5.847 1.00 0.00 C ATOM 97 OG SER A 8 -12.771 -4.905 -6.454 1.00 0.00 O ATOM 0 H SER A 8 -16.277 -6.790 -6.144 1.00 0.00 H new ATOM 0 HA SER A 8 -15.050 -4.406 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.368 -6.072 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.817 -6.683 -6.441 1.00 0.00 H new ATOM 0 HG SER A 8 -11.907 -5.363 -6.521 1.00 0.00 H new ATOM 103 N LEU A 9 -15.893 -3.122 -6.815 1.00 0.00 N ATOM 104 CA LEU A 9 -16.267 -2.289 -7.945 1.00 0.00 C ATOM 105 C LEU A 9 -15.526 -0.954 -7.856 1.00 0.00 C ATOM 106 O LEU A 9 -16.030 0.003 -7.270 1.00 0.00 O ATOM 107 CB LEU A 9 -17.788 -2.144 -8.022 1.00 0.00 C ATOM 108 CG LEU A 9 -18.499 -3.055 -9.025 1.00 0.00 C ATOM 109 CD1 LEU A 9 -18.884 -4.387 -8.377 1.00 0.00 C ATOM 110 CD2 LEU A 9 -19.706 -2.351 -9.647 1.00 0.00 C ATOM 0 H LEU A 9 -15.999 -2.677 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.966 -2.759 -8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.202 -2.334 -7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -18.022 -1.109 -8.272 1.00 0.00 H new ATOM 0 HG LEU A 9 -17.805 -3.278 -9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -19.388 -5.016 -9.111 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.986 -4.892 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -19.553 -4.203 -7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -20.193 -3.021 -10.356 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -20.412 -2.078 -8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -19.375 -1.452 -10.166 1.00 0.00 H new ATOM 122 N PRO A 10 -14.308 -0.931 -8.462 1.00 0.00 N ATOM 123 CA PRO A 10 -13.492 0.271 -8.456 1.00 0.00 C ATOM 124 C PRO A 10 -14.039 1.309 -9.439 1.00 0.00 C ATOM 125 O PRO A 10 -14.079 1.068 -10.644 1.00 0.00 O ATOM 126 CB PRO A 10 -12.092 -0.202 -8.811 1.00 0.00 C ATOM 127 CG PRO A 10 -12.264 -1.569 -9.454 1.00 0.00 C ATOM 128 CD PRO A 10 -13.679 -2.045 -9.165 1.00 0.00 C ATOM 0 HA PRO A 10 -13.494 0.776 -7.490 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.607 0.493 -9.496 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.464 -0.265 -7.922 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.093 -1.510 -10.529 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.535 -2.274 -9.054 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.212 -2.284 -10.085 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.676 -2.948 -8.554 1.00 0.00 H new ATOM 136 N SER A 11 -14.446 2.443 -8.886 1.00 0.00 N ATOM 137 CA SER A 11 -14.989 3.518 -9.699 1.00 0.00 C ATOM 138 C SER A 11 -14.199 3.638 -11.004 1.00 0.00 C ATOM 139 O SER A 11 -13.006 3.939 -10.986 1.00 0.00 O ATOM 140 CB SER A 11 -14.966 4.847 -8.940 1.00 0.00 C ATOM 141 OG SER A 11 -13.701 5.092 -8.331 1.00 0.00 O ATOM 0 H SER A 11 -14.411 2.640 -7.886 1.00 0.00 H new ATOM 0 HA SER A 11 -16.027 3.281 -9.931 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.202 5.660 -9.626 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.742 4.841 -8.174 1.00 0.00 H new ATOM 0 HG SER A 11 -12.985 4.862 -8.960 1.00 0.00 H new ATOM 147 N TYR A 12 -14.896 3.398 -12.104 1.00 0.00 N ATOM 148 CA TYR A 12 -14.274 3.475 -13.416 1.00 0.00 C ATOM 149 C TYR A 12 -12.920 2.763 -13.423 1.00 0.00 C ATOM 150 O TYR A 12 -11.904 3.349 -13.054 1.00 0.00 O ATOM 151 CB TYR A 12 -14.056 4.964 -13.691 1.00 0.00 C ATOM 152 CG TYR A 12 -14.649 5.445 -15.017 1.00 0.00 C ATOM 153 CD1 TYR A 12 -14.229 4.884 -16.205 1.00 0.00 C ATOM 154 CD2 TYR A 12 -15.606 6.440 -15.024 1.00 0.00 C ATOM 155 CE1 TYR A 12 -14.788 5.337 -17.453 1.00 0.00 C ATOM 156 CE2 TYR A 12 -16.164 6.893 -16.271 1.00 0.00 C ATOM 157 CZ TYR A 12 -15.728 6.319 -17.424 1.00 0.00 C ATOM 158 OH TYR A 12 -16.256 6.747 -18.602 1.00 0.00 O ATOM 0 H TYR A 12 -15.885 3.150 -12.115 1.00 0.00 H new ATOM 0 HA TYR A 12 -14.902 2.998 -14.168 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -14.495 5.541 -12.878 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -12.986 5.171 -13.687 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -13.481 4.105 -16.200 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.936 6.878 -14.094 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -14.468 4.906 -18.390 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.912 7.671 -16.291 1.00 0.00 H new ATOM 0 HH TYR A 12 -16.916 7.451 -18.428 1.00 0.00 H new ATOM 168 N GLU A 13 -12.950 1.508 -13.849 1.00 0.00 N ATOM 169 CA GLU A 13 -11.737 0.710 -13.909 1.00 0.00 C ATOM 170 C GLU A 13 -12.054 -0.698 -14.418 1.00 0.00 C ATOM 171 O GLU A 13 -13.217 -1.093 -14.478 1.00 0.00 O ATOM 172 CB GLU A 13 -11.046 0.657 -12.545 1.00 0.00 C ATOM 173 CG GLU A 13 -9.713 1.407 -12.577 1.00 0.00 C ATOM 174 CD GLU A 13 -8.788 0.928 -11.456 1.00 0.00 C ATOM 175 OE1 GLU A 13 -8.943 -0.200 -10.964 1.00 0.00 O ATOM 176 OE2 GLU A 13 -7.881 1.772 -11.100 1.00 0.00 O ATOM 0 H GLU A 13 -13.794 1.025 -14.156 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.048 1.183 -14.609 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.696 1.095 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.877 -0.381 -12.259 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.229 1.256 -13.542 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.891 2.477 -12.474 1.00 0.00 H new ATOM 183 N GLU A 14 -10.998 -1.416 -14.772 1.00 0.00 N ATOM 184 CA GLU A 14 -11.148 -2.771 -15.274 1.00 0.00 C ATOM 185 C GLU A 14 -11.636 -3.699 -14.159 1.00 0.00 C ATOM 186 O GLU A 14 -11.358 -3.463 -12.984 1.00 0.00 O ATOM 187 CB GLU A 14 -9.838 -3.281 -15.878 1.00 0.00 C ATOM 188 CG GLU A 14 -10.043 -3.740 -17.323 1.00 0.00 C ATOM 189 CD GLU A 14 -8.704 -3.876 -18.050 1.00 0.00 C ATOM 190 OE1 GLU A 14 -7.770 -3.107 -17.779 1.00 0.00 O ATOM 191 OE2 GLU A 14 -8.652 -4.823 -18.924 1.00 0.00 O ATOM 0 H GLU A 14 -10.035 -1.084 -14.721 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.896 -2.763 -16.067 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.087 -2.492 -15.846 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.456 -4.109 -15.280 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.566 -4.697 -17.334 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.676 -3.025 -17.849 1.00 0.00 H new ATOM 198 N ASP A 15 -12.354 -4.735 -14.566 1.00 0.00 N ATOM 199 CA ASP A 15 -12.883 -5.699 -13.617 1.00 0.00 C ATOM 200 C ASP A 15 -12.301 -7.080 -13.922 1.00 0.00 C ATOM 201 O ASP A 15 -12.865 -7.835 -14.712 1.00 0.00 O ATOM 202 CB ASP A 15 -14.407 -5.795 -13.719 1.00 0.00 C ATOM 203 CG ASP A 15 -14.938 -6.194 -15.098 1.00 0.00 C ATOM 204 OD1 ASP A 15 -14.820 -5.289 -16.010 1.00 0.00 O ATOM 205 OD2 ASP A 15 -15.439 -7.312 -15.290 1.00 0.00 O ATOM 0 H ASP A 15 -12.582 -4.928 -15.541 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.609 -5.370 -12.615 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.760 -6.520 -12.986 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.836 -4.831 -13.446 1.00 0.00 H new ATOM 210 N GLN A 16 -11.179 -7.370 -13.279 1.00 0.00 N ATOM 211 CA GLN A 16 -10.514 -8.647 -13.471 1.00 0.00 C ATOM 212 C GLN A 16 -9.307 -8.763 -12.538 1.00 0.00 C ATOM 213 O GLN A 16 -8.167 -8.826 -12.996 1.00 0.00 O ATOM 214 CB GLN A 16 -10.098 -8.834 -14.931 1.00 0.00 C ATOM 215 CG GLN A 16 -10.953 -9.904 -15.613 1.00 0.00 C ATOM 216 CD GLN A 16 -10.774 -9.864 -17.132 1.00 0.00 C ATOM 217 OE1 GLN A 16 -11.162 -8.922 -17.803 1.00 0.00 O ATOM 218 NE2 GLN A 16 -10.167 -10.935 -17.634 1.00 0.00 N ATOM 0 H GLN A 16 -10.714 -6.742 -12.624 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.218 -9.442 -13.223 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.198 -7.889 -15.465 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.047 -9.118 -14.980 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.677 -10.889 -15.237 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.003 -9.750 -15.363 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.867 -11.688 -17.015 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.001 -11.003 -18.638 1.00 0.00 H new ATOM 227 N GLY A 17 -9.599 -8.789 -11.246 1.00 0.00 N ATOM 228 CA GLY A 17 -8.552 -8.896 -10.244 1.00 0.00 C ATOM 229 C GLY A 17 -7.457 -9.864 -10.697 1.00 0.00 C ATOM 230 O GLY A 17 -6.289 -9.488 -10.786 1.00 0.00 O ATOM 0 H GLY A 17 -10.546 -8.738 -10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.119 -7.913 -10.058 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.979 -9.239 -9.302 1.00 0.00 H new ATOM 234 N SER A 18 -7.873 -11.092 -10.972 1.00 0.00 N ATOM 235 CA SER A 18 -6.942 -12.116 -11.414 1.00 0.00 C ATOM 236 C SER A 18 -5.992 -11.541 -12.467 1.00 0.00 C ATOM 237 O SER A 18 -4.778 -11.711 -12.371 1.00 0.00 O ATOM 238 CB SER A 18 -7.685 -13.330 -11.976 1.00 0.00 C ATOM 239 OG SER A 18 -8.443 -13.002 -13.137 1.00 0.00 O ATOM 0 H SER A 18 -8.842 -11.400 -10.897 1.00 0.00 H new ATOM 0 HA SER A 18 -6.362 -12.446 -10.552 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.967 -14.113 -12.221 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.349 -13.734 -11.212 1.00 0.00 H new ATOM 0 HG SER A 18 -8.901 -13.804 -13.466 1.00 0.00 H new ATOM 245 N LYS A 19 -6.582 -10.872 -13.447 1.00 0.00 N ATOM 246 CA LYS A 19 -5.803 -10.271 -14.516 1.00 0.00 C ATOM 247 C LYS A 19 -4.775 -9.311 -13.915 1.00 0.00 C ATOM 248 O LYS A 19 -3.613 -9.306 -14.320 1.00 0.00 O ATOM 249 CB LYS A 19 -6.725 -9.617 -15.548 1.00 0.00 C ATOM 250 CG LYS A 19 -5.984 -9.366 -16.863 1.00 0.00 C ATOM 251 CD LYS A 19 -6.397 -10.384 -17.928 1.00 0.00 C ATOM 252 CE LYS A 19 -6.290 -9.784 -19.331 1.00 0.00 C ATOM 253 NZ LYS A 19 -4.974 -10.100 -19.931 1.00 0.00 N ATOM 0 H LYS A 19 -7.590 -10.733 -13.523 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.247 -11.036 -15.058 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.587 -10.259 -15.729 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.106 -8.674 -15.155 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.196 -8.357 -17.217 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.909 -9.425 -16.696 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.762 -11.267 -17.857 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.421 -10.711 -17.746 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.088 -10.176 -19.962 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.424 -8.703 -19.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.918 -9.685 -20.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.218 -9.705 -19.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.861 -11.132 -19.996 1.00 0.00 H new ATOM 267 N LEU A 20 -5.239 -8.520 -12.958 1.00 0.00 N ATOM 268 CA LEU A 20 -4.374 -7.558 -12.297 1.00 0.00 C ATOM 269 C LEU A 20 -3.244 -8.301 -11.582 1.00 0.00 C ATOM 270 O LEU A 20 -2.164 -7.749 -11.380 1.00 0.00 O ATOM 271 CB LEU A 20 -5.190 -6.647 -11.378 1.00 0.00 C ATOM 272 CG LEU A 20 -5.800 -5.405 -12.032 1.00 0.00 C ATOM 273 CD1 LEU A 20 -7.219 -5.156 -11.518 1.00 0.00 C ATOM 274 CD2 LEU A 20 -4.897 -4.185 -11.839 1.00 0.00 C ATOM 0 H LEU A 20 -6.203 -8.526 -12.625 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.908 -6.898 -13.029 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.996 -7.235 -10.939 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.549 -6.323 -10.558 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.874 -5.584 -13.105 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.629 -4.268 -11.998 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.846 -6.017 -11.750 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.194 -5.006 -10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.353 -3.316 -12.313 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.769 -3.992 -10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.925 -4.377 -12.292 1.00 0.00 H new ATOM 286 N ILE A 21 -3.532 -9.542 -11.218 1.00 0.00 N ATOM 287 CA ILE A 21 -2.554 -10.366 -10.530 1.00 0.00 C ATOM 288 C ILE A 21 -1.675 -11.076 -11.562 1.00 0.00 C ATOM 289 O ILE A 21 -0.575 -11.524 -11.242 1.00 0.00 O ATOM 290 CB ILE A 21 -3.248 -11.319 -9.554 1.00 0.00 C ATOM 291 CG1 ILE A 21 -3.992 -10.543 -8.466 1.00 0.00 C ATOM 292 CG2 ILE A 21 -2.253 -12.321 -8.965 1.00 0.00 C ATOM 293 CD1 ILE A 21 -5.160 -11.361 -7.910 1.00 0.00 C ATOM 0 H ILE A 21 -4.429 -9.997 -11.387 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.895 -9.747 -9.921 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.992 -11.892 -10.107 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.304 -10.290 -7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.363 -9.603 -8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.772 -12.986 -8.275 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.808 -12.907 -9.769 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.469 -11.784 -8.431 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.672 -10.786 -7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.859 -11.591 -8.714 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.782 -12.289 -7.481 1.00 0.00 H new ATOM 305 N ARG A 22 -2.193 -11.155 -12.779 1.00 0.00 N ATOM 306 CA ARG A 22 -1.468 -11.802 -13.859 1.00 0.00 C ATOM 307 C ARG A 22 -0.277 -10.944 -14.289 1.00 0.00 C ATOM 308 O ARG A 22 -0.372 -10.179 -15.248 1.00 0.00 O ATOM 309 CB ARG A 22 -2.378 -12.041 -15.066 1.00 0.00 C ATOM 310 CG ARG A 22 -2.758 -13.519 -15.182 1.00 0.00 C ATOM 311 CD ARG A 22 -3.805 -13.731 -16.278 1.00 0.00 C ATOM 312 NE ARG A 22 -4.854 -14.660 -15.802 1.00 0.00 N ATOM 313 CZ ARG A 22 -6.035 -14.853 -16.428 1.00 0.00 C ATOM 314 NH1 ARG A 22 -6.326 -14.181 -17.563 1.00 0.00 N ATOM 315 NH2 ARG A 22 -6.899 -15.707 -15.915 1.00 0.00 N ATOM 0 H ARG A 22 -3.106 -10.782 -13.041 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.112 -12.764 -13.490 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.280 -11.436 -14.971 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.872 -11.719 -15.977 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.870 -14.110 -15.403 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.148 -13.874 -14.228 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.252 -12.776 -16.555 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.330 -14.133 -17.173 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.674 -15.187 -14.948 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.652 -13.522 -17.953 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.220 -14.332 -18.030 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.671 -16.210 -15.058 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.795 -15.864 -16.376 1.00 0.00 H new ATOM 329 N LYS A 23 0.817 -11.098 -13.558 1.00 0.00 N ATOM 330 CA LYS A 23 2.025 -10.346 -13.852 1.00 0.00 C ATOM 331 C LYS A 23 3.224 -11.042 -13.203 1.00 0.00 C ATOM 332 O LYS A 23 3.960 -11.768 -13.869 1.00 0.00 O ATOM 333 CB LYS A 23 1.862 -8.884 -13.432 1.00 0.00 C ATOM 334 CG LYS A 23 2.257 -7.939 -14.569 1.00 0.00 C ATOM 335 CD LYS A 23 3.080 -6.762 -14.042 1.00 0.00 C ATOM 336 CE LYS A 23 2.338 -5.439 -14.248 1.00 0.00 C ATOM 337 NZ LYS A 23 3.124 -4.313 -13.698 1.00 0.00 N ATOM 0 H LYS A 23 0.892 -11.732 -12.763 1.00 0.00 H new ATOM 0 HA LYS A 23 2.209 -10.326 -14.926 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.828 -8.698 -13.143 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.479 -8.683 -12.556 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.833 -8.484 -15.317 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.361 -7.567 -15.066 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.288 -6.905 -12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.042 -6.728 -14.554 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.157 -5.279 -15.311 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.364 -5.482 -13.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.606 -3.423 -13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.275 -4.460 -12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.044 -4.263 -14.181 1.00 0.00 H new ATOM 351 N ALA A 24 3.383 -10.795 -11.911 1.00 0.00 N ATOM 352 CA ALA A 24 4.480 -11.388 -11.165 1.00 0.00 C ATOM 353 C ALA A 24 4.079 -12.792 -10.708 1.00 0.00 C ATOM 354 O ALA A 24 4.726 -13.774 -11.068 1.00 0.00 O ATOM 355 CB ALA A 24 4.852 -10.478 -9.994 1.00 0.00 C ATOM 0 H ALA A 24 2.770 -10.192 -11.362 1.00 0.00 H new ATOM 0 HA ALA A 24 5.364 -11.486 -11.795 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.675 -10.923 -9.435 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.157 -9.503 -10.374 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.990 -10.359 -9.338 1.00 0.00 H new ATOM 361 N LYS A 25 3.014 -12.842 -9.922 1.00 0.00 N ATOM 362 CA LYS A 25 2.519 -14.110 -9.412 1.00 0.00 C ATOM 363 C LYS A 25 3.542 -14.696 -8.436 1.00 0.00 C ATOM 364 O LYS A 25 4.602 -15.164 -8.849 1.00 0.00 O ATOM 365 CB LYS A 25 2.161 -15.049 -10.565 1.00 0.00 C ATOM 366 CG LYS A 25 0.745 -14.774 -11.077 1.00 0.00 C ATOM 367 CD LYS A 25 0.293 -15.864 -12.050 1.00 0.00 C ATOM 368 CE LYS A 25 0.443 -15.400 -13.501 1.00 0.00 C ATOM 369 NZ LYS A 25 1.759 -15.807 -14.041 1.00 0.00 N ATOM 0 H LYS A 25 2.480 -12.025 -9.626 1.00 0.00 H new ATOM 0 HA LYS A 25 1.594 -13.961 -8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.876 -14.922 -11.378 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.237 -16.084 -10.232 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.054 -14.723 -10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.716 -13.804 -11.573 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.883 -16.767 -11.890 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.747 -16.124 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.354 -15.826 -14.110 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.340 -14.316 -13.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.845 -15.485 -15.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.516 -15.380 -13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.843 -16.843 -14.007 1.00 0.00 H new ATOM 383 N GLU A 26 3.188 -14.652 -7.160 1.00 0.00 N ATOM 384 CA GLU A 26 4.061 -15.173 -6.123 1.00 0.00 C ATOM 385 C GLU A 26 5.423 -14.477 -6.176 1.00 0.00 C ATOM 386 O GLU A 26 6.417 -15.080 -6.578 1.00 0.00 O ATOM 387 CB GLU A 26 4.216 -16.690 -6.247 1.00 0.00 C ATOM 388 CG GLU A 26 4.032 -17.373 -4.890 1.00 0.00 C ATOM 389 CD GLU A 26 3.246 -18.678 -5.035 1.00 0.00 C ATOM 390 OE1 GLU A 26 3.818 -19.582 -5.756 1.00 0.00 O ATOM 391 OE2 GLU A 26 2.144 -18.802 -4.480 1.00 0.00 O ATOM 0 H GLU A 26 2.308 -14.263 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 26 3.606 -14.965 -5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.484 -17.077 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.202 -16.927 -6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.007 -17.579 -4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.508 -16.702 -4.209 1.00 0.00 H new ATOM 398 N ALA A 27 5.424 -13.217 -5.766 1.00 0.00 N ATOM 399 CA ALA A 27 6.647 -12.433 -5.762 1.00 0.00 C ATOM 400 C ALA A 27 6.879 -11.865 -4.360 1.00 0.00 C ATOM 401 O ALA A 27 5.958 -11.812 -3.548 1.00 0.00 O ATOM 402 CB ALA A 27 6.555 -11.338 -6.827 1.00 0.00 C ATOM 0 H ALA A 27 4.597 -12.720 -5.434 1.00 0.00 H new ATOM 0 HA ALA A 27 7.505 -13.058 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.473 -10.750 -6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.420 -11.795 -7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.707 -10.689 -6.609 1.00 0.00 H new ATOM 408 N PRO A 28 8.148 -11.443 -4.114 1.00 0.00 N ATOM 409 CA PRO A 28 8.513 -10.881 -2.825 1.00 0.00 C ATOM 410 C PRO A 28 7.974 -9.457 -2.676 1.00 0.00 C ATOM 411 O PRO A 28 7.074 -9.050 -3.408 1.00 0.00 O ATOM 412 CB PRO A 28 10.031 -10.949 -2.781 1.00 0.00 C ATOM 413 CG PRO A 28 10.483 -11.114 -4.223 1.00 0.00 C ATOM 414 CD PRO A 28 9.266 -11.490 -5.053 1.00 0.00 C ATOM 0 HA PRO A 28 8.079 -11.429 -1.989 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.450 -10.044 -2.342 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.367 -11.786 -2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.926 -10.189 -4.592 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.249 -11.886 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.119 -10.794 -5.879 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.375 -12.483 -5.489 1.00 0.00 H new ATOM 422 N PHE A 29 8.548 -8.738 -1.722 1.00 0.00 N ATOM 423 CA PHE A 29 8.137 -7.368 -1.467 1.00 0.00 C ATOM 424 C PHE A 29 8.960 -6.384 -2.301 1.00 0.00 C ATOM 425 O PHE A 29 8.646 -5.196 -2.354 1.00 0.00 O ATOM 426 CB PHE A 29 8.387 -7.094 0.017 1.00 0.00 C ATOM 427 CG PHE A 29 9.835 -6.723 0.346 1.00 0.00 C ATOM 428 CD1 PHE A 29 10.255 -5.437 0.208 1.00 0.00 C ATOM 429 CD2 PHE A 29 10.701 -7.679 0.777 1.00 0.00 C ATOM 430 CE1 PHE A 29 11.599 -5.092 0.513 1.00 0.00 C ATOM 431 CE2 PHE A 29 12.044 -7.334 1.082 1.00 0.00 C ATOM 432 CZ PHE A 29 12.465 -6.048 0.943 1.00 0.00 C ATOM 0 H PHE A 29 9.295 -9.079 -1.116 1.00 0.00 H new ATOM 0 HA PHE A 29 7.088 -7.239 -1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.733 -6.285 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.110 -7.978 0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.567 -4.678 -0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 29 10.367 -8.700 0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 29 11.933 -4.071 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 29 12.732 -8.093 1.425 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.487 -5.786 1.174 1.00 0.00 H new ATOM 442 N VAL A 30 9.998 -6.915 -2.931 1.00 0.00 N ATOM 443 CA VAL A 30 10.868 -6.099 -3.759 1.00 0.00 C ATOM 444 C VAL A 30 10.015 -5.229 -4.685 1.00 0.00 C ATOM 445 O VAL A 30 10.193 -4.013 -4.737 1.00 0.00 O ATOM 446 CB VAL A 30 11.855 -6.989 -4.517 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.980 -6.550 -5.978 1.00 0.00 C ATOM 448 CG2 VAL A 30 13.222 -7.002 -3.830 1.00 0.00 C ATOM 0 H VAL A 30 10.256 -7.901 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 30 11.464 -5.428 -3.141 1.00 0.00 H new ATOM 0 HB VAL A 30 11.464 -8.007 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.688 -7.199 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.006 -6.617 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.336 -5.520 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.904 -7.642 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.622 -5.988 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.115 -7.385 -2.815 1.00 0.00 H new ATOM 458 N PRO A 31 9.084 -5.903 -5.411 1.00 0.00 N ATOM 459 CA PRO A 31 8.203 -5.205 -6.332 1.00 0.00 C ATOM 460 C PRO A 31 7.113 -4.443 -5.576 1.00 0.00 C ATOM 461 O PRO A 31 6.499 -3.527 -6.121 1.00 0.00 O ATOM 462 CB PRO A 31 7.648 -6.288 -7.243 1.00 0.00 C ATOM 463 CG PRO A 31 7.872 -7.602 -6.513 1.00 0.00 C ATOM 464 CD PRO A 31 8.845 -7.343 -5.375 1.00 0.00 C ATOM 0 HA PRO A 31 8.721 -4.442 -6.913 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.588 -6.127 -7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.156 -6.285 -8.207 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.929 -7.990 -6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.272 -8.353 -7.194 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.425 -7.651 -4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.771 -7.901 -5.511 1.00 0.00 H new ATOM 472 N VAL A 32 6.905 -4.850 -4.332 1.00 0.00 N ATOM 473 CA VAL A 32 5.899 -4.217 -3.496 1.00 0.00 C ATOM 474 C VAL A 32 6.373 -2.815 -3.108 1.00 0.00 C ATOM 475 O VAL A 32 5.603 -1.858 -3.164 1.00 0.00 O ATOM 476 CB VAL A 32 5.593 -5.101 -2.285 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.625 -4.404 -1.328 1.00 0.00 C ATOM 478 CG2 VAL A 32 5.047 -6.461 -2.723 1.00 0.00 C ATOM 0 H VAL A 32 7.416 -5.610 -3.883 1.00 0.00 H new ATOM 0 HA VAL A 32 4.963 -4.104 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 32 6.527 -5.272 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.424 -5.054 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.068 -3.472 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.691 -4.189 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.838 -7.070 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.128 -6.318 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.785 -6.966 -3.346 1.00 0.00 H new ATOM 488 N GLY A 33 7.639 -2.738 -2.723 1.00 0.00 N ATOM 489 CA GLY A 33 8.225 -1.469 -2.326 1.00 0.00 C ATOM 490 C GLY A 33 8.513 -0.593 -3.546 1.00 0.00 C ATOM 491 O GLY A 33 8.264 0.612 -3.523 1.00 0.00 O ATOM 0 H GLY A 33 8.275 -3.534 -2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.547 -0.947 -1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.149 -1.647 -1.776 1.00 0.00 H new ATOM 495 N ILE A 34 9.034 -1.231 -4.584 1.00 0.00 N ATOM 496 CA ILE A 34 9.359 -0.524 -5.811 1.00 0.00 C ATOM 497 C ILE A 34 8.080 0.066 -6.408 1.00 0.00 C ATOM 498 O ILE A 34 7.931 1.285 -6.482 1.00 0.00 O ATOM 499 CB ILE A 34 10.120 -1.441 -6.772 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.552 -1.676 -6.287 1.00 0.00 C ATOM 501 CG2 ILE A 34 10.081 -0.892 -8.199 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.329 -0.359 -6.212 1.00 0.00 C ATOM 0 H ILE A 34 9.239 -2.230 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 34 10.029 0.310 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 34 9.622 -2.410 -6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.534 -2.148 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 34 12.060 -2.364 -6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.629 -1.562 -8.862 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.046 -0.818 -8.532 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.541 0.096 -8.221 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.344 -0.554 -5.865 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.366 0.099 -7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.832 0.318 -5.517 1.00 0.00 H new ATOM 514 N ALA A 35 7.191 -0.825 -6.820 1.00 0.00 N ATOM 515 CA ALA A 35 5.930 -0.408 -7.408 1.00 0.00 C ATOM 516 C ALA A 35 5.143 0.415 -6.386 1.00 0.00 C ATOM 517 O ALA A 35 4.740 1.542 -6.669 1.00 0.00 O ATOM 518 CB ALA A 35 5.156 -1.638 -7.885 1.00 0.00 C ATOM 0 H ALA A 35 7.319 -1.835 -6.758 1.00 0.00 H new ATOM 0 HA ALA A 35 6.104 0.225 -8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.210 -1.324 -8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.745 -2.172 -8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.961 -2.296 -7.038 1.00 0.00 H new ATOM 524 N GLY A 36 4.948 -0.180 -5.218 1.00 0.00 N ATOM 525 CA GLY A 36 4.217 0.484 -4.153 1.00 0.00 C ATOM 526 C GLY A 36 4.688 1.930 -3.982 1.00 0.00 C ATOM 527 O GLY A 36 3.884 2.859 -4.032 1.00 0.00 O ATOM 0 H GLY A 36 5.284 -1.115 -4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.150 0.469 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.355 -0.060 -3.219 1.00 0.00 H new ATOM 531 N PHE A 37 5.990 2.075 -3.784 1.00 0.00 N ATOM 532 CA PHE A 37 6.578 3.391 -3.606 1.00 0.00 C ATOM 533 C PHE A 37 6.201 4.321 -4.761 1.00 0.00 C ATOM 534 O PHE A 37 5.754 5.445 -4.538 1.00 0.00 O ATOM 535 CB PHE A 37 8.097 3.205 -3.592 1.00 0.00 C ATOM 536 CG PHE A 37 8.885 4.516 -3.623 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.136 5.186 -2.466 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.336 5.011 -4.807 1.00 0.00 C ATOM 539 CE1 PHE A 37 9.867 6.402 -2.494 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.067 6.228 -4.835 1.00 0.00 C ATOM 541 CZ PHE A 37 10.318 6.897 -3.678 1.00 0.00 C ATOM 0 H PHE A 37 6.654 1.302 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 37 6.214 3.838 -2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.376 2.646 -2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.386 2.599 -4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.779 4.792 -1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.138 4.479 -5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.065 6.934 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.424 6.622 -5.775 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.876 7.822 -3.699 1.00 0.00 H new ATOM 551 N ALA A 38 6.395 3.818 -5.971 1.00 0.00 N ATOM 552 CA ALA A 38 6.081 4.589 -7.162 1.00 0.00 C ATOM 553 C ALA A 38 4.624 5.052 -7.095 1.00 0.00 C ATOM 554 O ALA A 38 4.326 6.214 -7.365 1.00 0.00 O ATOM 555 CB ALA A 38 6.368 3.747 -8.407 1.00 0.00 C ATOM 0 H ALA A 38 6.766 2.885 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 38 6.708 5.479 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.132 4.326 -9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.422 3.468 -8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.755 2.846 -8.386 1.00 0.00 H new ATOM 561 N ALA A 39 3.756 4.119 -6.732 1.00 0.00 N ATOM 562 CA ALA A 39 2.338 4.418 -6.625 1.00 0.00 C ATOM 563 C ALA A 39 2.131 5.530 -5.595 1.00 0.00 C ATOM 564 O ALA A 39 1.608 6.594 -5.922 1.00 0.00 O ATOM 565 CB ALA A 39 1.573 3.142 -6.268 1.00 0.00 C ATOM 0 H ALA A 39 4.007 3.156 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 39 1.948 4.776 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.509 3.366 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.729 2.395 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.935 2.755 -5.316 1.00 0.00 H new ATOM 571 N ILE A 40 2.552 5.245 -4.372 1.00 0.00 N ATOM 572 CA ILE A 40 2.419 6.208 -3.292 1.00 0.00 C ATOM 573 C ILE A 40 2.772 7.603 -3.812 1.00 0.00 C ATOM 574 O ILE A 40 1.984 8.537 -3.676 1.00 0.00 O ATOM 575 CB ILE A 40 3.250 5.774 -2.082 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.735 4.452 -1.509 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.296 6.878 -1.024 1.00 0.00 C ATOM 578 CD1 ILE A 40 3.767 3.821 -0.573 1.00 0.00 C ATOM 0 H ILE A 40 2.985 4.361 -4.105 1.00 0.00 H new ATOM 0 HA ILE A 40 1.387 6.249 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 40 4.274 5.604 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.805 4.624 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.507 3.763 -2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.893 6.544 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.745 7.774 -1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.283 7.104 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.376 2.883 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.688 3.628 -1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.974 4.502 0.252 1.00 0.00 H new ATOM 590 N VAL A 41 3.957 7.699 -4.396 1.00 0.00 N ATOM 591 CA VAL A 41 4.424 8.964 -4.937 1.00 0.00 C ATOM 592 C VAL A 41 3.349 9.549 -5.856 1.00 0.00 C ATOM 593 O VAL A 41 3.004 10.724 -5.743 1.00 0.00 O ATOM 594 CB VAL A 41 5.769 8.769 -5.640 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.072 9.938 -6.579 1.00 0.00 C ATOM 596 CG2 VAL A 41 6.896 8.575 -4.624 1.00 0.00 C ATOM 0 H VAL A 41 4.608 6.921 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 41 4.593 9.682 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 41 5.703 7.864 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.033 9.774 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.290 10.009 -7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.109 10.865 -6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.841 8.439 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.962 9.453 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.689 7.695 -4.015 1.00 0.00 H new ATOM 606 N ALA A 42 2.850 8.702 -6.744 1.00 0.00 N ATOM 607 CA ALA A 42 1.821 9.120 -7.681 1.00 0.00 C ATOM 608 C ALA A 42 0.625 9.674 -6.904 1.00 0.00 C ATOM 609 O ALA A 42 0.254 10.835 -7.074 1.00 0.00 O ATOM 610 CB ALA A 42 1.438 7.941 -8.578 1.00 0.00 C ATOM 0 H ALA A 42 3.139 7.728 -6.835 1.00 0.00 H new ATOM 0 HA ALA A 42 2.191 9.915 -8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.666 8.254 -9.281 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.315 7.603 -9.129 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.059 7.124 -7.963 1.00 0.00 H new ATOM 616 N TYR A 43 0.054 8.818 -6.070 1.00 0.00 N ATOM 617 CA TYR A 43 -1.093 9.208 -5.267 1.00 0.00 C ATOM 618 C TYR A 43 -0.865 10.570 -4.610 1.00 0.00 C ATOM 619 O TYR A 43 -1.619 11.512 -4.848 1.00 0.00 O ATOM 620 CB TYR A 43 -1.224 8.144 -4.175 1.00 0.00 C ATOM 621 CG TYR A 43 -2.395 7.180 -4.382 1.00 0.00 C ATOM 622 CD1 TYR A 43 -2.222 6.037 -5.136 1.00 0.00 C ATOM 623 CD2 TYR A 43 -3.623 7.455 -3.815 1.00 0.00 C ATOM 624 CE1 TYR A 43 -3.324 5.130 -5.331 1.00 0.00 C ATOM 625 CE2 TYR A 43 -4.724 6.548 -4.010 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.520 5.430 -4.758 1.00 0.00 C ATOM 627 OH TYR A 43 -5.561 4.574 -4.942 1.00 0.00 O ATOM 0 H TYR A 43 0.364 7.856 -5.933 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.987 9.285 -5.886 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.298 7.570 -4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.341 8.640 -3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.261 5.823 -5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.758 8.350 -3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.203 4.232 -5.919 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.690 6.751 -3.572 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.352 4.915 -4.474 1.00 0.00 H new ATOM 637 N GLY A 44 0.179 10.632 -3.796 1.00 0.00 N ATOM 638 CA GLY A 44 0.516 11.864 -3.103 1.00 0.00 C ATOM 639 C GLY A 44 0.566 13.044 -4.075 1.00 0.00 C ATOM 640 O GLY A 44 -0.177 14.012 -3.922 1.00 0.00 O ATOM 0 H GLY A 44 0.803 9.849 -3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.221 12.061 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.481 11.755 -2.608 1.00 0.00 H new ATOM 644 N LEU A 45 1.451 12.924 -5.055 1.00 0.00 N ATOM 645 CA LEU A 45 1.608 13.969 -6.052 1.00 0.00 C ATOM 646 C LEU A 45 0.229 14.485 -6.466 1.00 0.00 C ATOM 647 O LEU A 45 -0.005 15.693 -6.490 1.00 0.00 O ATOM 648 CB LEU A 45 2.455 13.468 -7.224 1.00 0.00 C ATOM 649 CG LEU A 45 3.881 14.016 -7.304 1.00 0.00 C ATOM 650 CD1 LEU A 45 4.767 13.401 -6.219 1.00 0.00 C ATOM 651 CD2 LEU A 45 4.466 13.818 -8.704 1.00 0.00 C ATOM 0 H LEU A 45 2.066 12.120 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 45 2.153 14.816 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.507 12.381 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.939 13.716 -8.152 1.00 0.00 H new ATOM 0 HG LEU A 45 3.846 15.090 -7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.775 13.808 -6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.357 13.637 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.801 12.319 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.480 14.216 -8.734 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.486 12.755 -8.943 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.849 14.342 -9.434 1.00 0.00 H new ATOM 663 N TYR A 46 -0.649 13.545 -6.782 1.00 0.00 N ATOM 664 CA TYR A 46 -1.999 13.889 -7.194 1.00 0.00 C ATOM 665 C TYR A 46 -2.804 14.452 -6.021 1.00 0.00 C ATOM 666 O TYR A 46 -3.484 15.467 -6.160 1.00 0.00 O ATOM 667 CB TYR A 46 -2.645 12.582 -7.659 1.00 0.00 C ATOM 668 CG TYR A 46 -3.756 12.771 -8.694 1.00 0.00 C ATOM 669 CD1 TYR A 46 -4.977 13.286 -8.309 1.00 0.00 C ATOM 670 CD2 TYR A 46 -3.537 12.426 -10.012 1.00 0.00 C ATOM 671 CE1 TYR A 46 -6.023 13.464 -9.283 1.00 0.00 C ATOM 672 CE2 TYR A 46 -4.582 12.603 -10.986 1.00 0.00 C ATOM 673 CZ TYR A 46 -5.774 13.113 -10.574 1.00 0.00 C ATOM 674 OH TYR A 46 -6.761 13.281 -11.494 1.00 0.00 O ATOM 0 H TYR A 46 -0.452 12.544 -6.761 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.979 14.647 -7.977 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.874 11.938 -8.082 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.054 12.062 -6.793 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.148 13.556 -7.277 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.581 12.023 -10.313 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.983 13.867 -8.995 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.423 12.337 -12.021 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.442 12.989 -12.373 1.00 0.00 H new ATOM 684 N LYS A 47 -2.699 13.768 -4.891 1.00 0.00 N ATOM 685 CA LYS A 47 -3.408 14.187 -3.694 1.00 0.00 C ATOM 686 C LYS A 47 -3.087 15.654 -3.404 1.00 0.00 C ATOM 687 O LYS A 47 -3.938 16.394 -2.911 1.00 0.00 O ATOM 688 CB LYS A 47 -3.095 13.247 -2.529 1.00 0.00 C ATOM 689 CG LYS A 47 -3.687 11.857 -2.771 1.00 0.00 C ATOM 690 CD LYS A 47 -4.553 11.416 -1.590 1.00 0.00 C ATOM 691 CE LYS A 47 -5.548 10.333 -2.014 1.00 0.00 C ATOM 692 NZ LYS A 47 -5.849 9.433 -0.878 1.00 0.00 N ATOM 0 H LYS A 47 -2.134 12.926 -4.779 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.485 14.120 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.015 13.169 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.497 13.661 -1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.286 11.867 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.883 11.137 -2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.917 11.038 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.093 12.274 -1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.467 10.796 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.137 9.757 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.525 8.704 -1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.972 8.978 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.261 9.984 -0.098 1.00 0.00 H new ATOM 706 N LEU A 48 -1.858 16.032 -3.722 1.00 0.00 N ATOM 707 CA LEU A 48 -1.414 17.398 -3.501 1.00 0.00 C ATOM 708 C LEU A 48 -2.518 18.365 -3.934 1.00 0.00 C ATOM 709 O LEU A 48 -3.205 18.944 -3.094 1.00 0.00 O ATOM 710 CB LEU A 48 -0.073 17.645 -4.196 1.00 0.00 C ATOM 711 CG LEU A 48 0.588 18.996 -3.917 1.00 0.00 C ATOM 712 CD1 LEU A 48 1.066 19.083 -2.466 1.00 0.00 C ATOM 713 CD2 LEU A 48 1.720 19.268 -4.910 1.00 0.00 C ATOM 0 H LEU A 48 -1.155 15.416 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.234 17.573 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.618 16.856 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.221 17.551 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.159 19.777 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.532 20.053 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.215 18.965 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.792 18.293 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.173 20.235 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.474 18.486 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.320 19.278 -5.924 1.00 0.00 H new ATOM 725 N LYS A 49 -2.654 18.509 -5.244 1.00 0.00 N ATOM 726 CA LYS A 49 -3.663 19.395 -5.798 1.00 0.00 C ATOM 727 C LYS A 49 -5.039 18.994 -5.262 1.00 0.00 C ATOM 728 O LYS A 49 -5.400 17.818 -5.289 1.00 0.00 O ATOM 729 CB LYS A 49 -3.579 19.414 -7.326 1.00 0.00 C ATOM 730 CG LYS A 49 -4.219 18.159 -7.925 1.00 0.00 C ATOM 731 CD LYS A 49 -3.382 17.619 -9.087 1.00 0.00 C ATOM 732 CE LYS A 49 -4.248 16.812 -10.057 1.00 0.00 C ATOM 733 NZ LYS A 49 -4.480 17.577 -11.303 1.00 0.00 N ATOM 0 H LYS A 49 -2.082 18.027 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.484 20.422 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.081 20.302 -7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.536 19.478 -7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.316 17.393 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.225 18.390 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.911 18.447 -9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.580 16.990 -8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.759 15.866 -10.290 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.202 16.571 -9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.069 17.016 -11.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.966 18.468 -11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.568 17.785 -11.757 1.00 0.00 H new ATOM 747 N SER A 50 -5.769 19.993 -4.788 1.00 0.00 N ATOM 748 CA SER A 50 -7.097 19.759 -4.247 1.00 0.00 C ATOM 749 C SER A 50 -8.085 19.490 -5.384 1.00 0.00 C ATOM 750 O SER A 50 -8.930 18.602 -5.279 1.00 0.00 O ATOM 751 CB SER A 50 -7.566 20.947 -3.405 1.00 0.00 C ATOM 752 OG SER A 50 -8.907 20.783 -2.952 1.00 0.00 O ATOM 0 H SER A 50 -5.466 20.967 -4.767 1.00 0.00 H new ATOM 0 HA SER A 50 -7.053 18.884 -3.598 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.905 21.066 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.491 21.861 -3.994 1.00 0.00 H new ATOM 0 HG SER A 50 -9.169 21.561 -2.417 1.00 0.00 H new ATOM 758 N ARG A 51 -7.946 20.272 -6.443 1.00 0.00 N ATOM 759 CA ARG A 51 -8.816 20.130 -7.598 1.00 0.00 C ATOM 760 C ARG A 51 -8.946 18.656 -7.986 1.00 0.00 C ATOM 761 O ARG A 51 -8.056 18.097 -8.626 1.00 0.00 O ATOM 762 CB ARG A 51 -8.278 20.919 -8.794 1.00 0.00 C ATOM 763 CG ARG A 51 -8.576 22.412 -8.643 1.00 0.00 C ATOM 764 CD ARG A 51 -8.327 23.156 -9.958 1.00 0.00 C ATOM 765 NE ARG A 51 -9.351 24.208 -10.145 1.00 0.00 N ATOM 766 CZ ARG A 51 -9.337 25.399 -9.509 1.00 0.00 C ATOM 767 NH1 ARG A 51 -8.351 25.699 -8.637 1.00 0.00 N ATOM 768 NH2 ARG A 51 -10.303 26.265 -9.752 1.00 0.00 N ATOM 0 H ARG A 51 -7.244 21.007 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.794 20.526 -7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.202 20.766 -8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.729 20.545 -9.713 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.612 22.550 -8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.949 22.834 -7.858 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.332 23.602 -9.951 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.356 22.456 -10.793 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.115 24.022 -10.795 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.609 25.024 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.348 26.601 -8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.045 26.030 -10.412 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.308 27.169 -9.280 1.00 0.00 H new ATOM 782 N GLY A 52 -10.063 18.067 -7.582 1.00 0.00 N ATOM 783 CA GLY A 52 -10.321 16.668 -7.880 1.00 0.00 C ATOM 784 C GLY A 52 -11.098 16.001 -6.744 1.00 0.00 C ATOM 785 O GLY A 52 -11.402 16.638 -5.736 1.00 0.00 O ATOM 0 H GLY A 52 -10.799 18.533 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.887 16.588 -8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.377 16.145 -8.036 1.00 0.00 H new ATOM 789 N ASN A 53 -11.399 14.726 -6.944 1.00 0.00 N ATOM 790 CA ASN A 53 -12.135 13.965 -5.949 1.00 0.00 C ATOM 791 C ASN A 53 -11.304 13.868 -4.669 1.00 0.00 C ATOM 792 O ASN A 53 -11.790 14.181 -3.583 1.00 0.00 O ATOM 793 CB ASN A 53 -12.416 12.543 -6.440 1.00 0.00 C ATOM 794 CG ASN A 53 -13.837 12.425 -6.994 1.00 0.00 C ATOM 795 OD1 ASN A 53 -14.132 12.828 -8.107 1.00 0.00 O ATOM 796 ND2 ASN A 53 -14.698 11.851 -6.158 1.00 0.00 N ATOM 0 H ASN A 53 -11.146 14.201 -7.781 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.080 14.476 -5.765 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.697 12.273 -7.213 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.282 11.838 -5.620 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.672 11.726 -6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.385 11.536 -5.240 1.00 0.00 H new ATOM 803 N THR A 54 -10.064 13.433 -4.838 1.00 0.00 N ATOM 804 CA THR A 54 -9.160 13.291 -3.710 1.00 0.00 C ATOM 805 C THR A 54 -9.068 14.605 -2.932 1.00 0.00 C ATOM 806 O THR A 54 -8.760 15.650 -3.504 1.00 0.00 O ATOM 807 CB THR A 54 -7.810 12.805 -4.243 1.00 0.00 C ATOM 808 OG1 THR A 54 -7.463 13.766 -5.236 1.00 0.00 O ATOM 809 CG2 THR A 54 -7.926 11.492 -5.020 1.00 0.00 C ATOM 0 H THR A 54 -9.664 13.174 -5.740 1.00 0.00 H new ATOM 0 HA THR A 54 -9.529 12.553 -2.998 1.00 0.00 H new ATOM 0 HB THR A 54 -7.117 12.675 -3.412 1.00 0.00 H new ATOM 0 HG1 THR A 54 -7.879 14.626 -5.018 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.941 11.192 -5.376 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.328 10.717 -4.367 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.593 11.631 -5.871 1.00 0.00 H new ATOM 817 N LYS A 55 -9.340 14.510 -1.638 1.00 0.00 N ATOM 818 CA LYS A 55 -9.292 15.679 -0.776 1.00 0.00 C ATOM 819 C LYS A 55 -8.052 15.597 0.117 1.00 0.00 C ATOM 820 O LYS A 55 -7.171 16.452 0.040 1.00 0.00 O ATOM 821 CB LYS A 55 -10.601 15.824 0.002 1.00 0.00 C ATOM 822 CG LYS A 55 -11.402 17.030 -0.493 1.00 0.00 C ATOM 823 CD LYS A 55 -12.906 16.766 -0.398 1.00 0.00 C ATOM 824 CE LYS A 55 -13.599 17.835 0.448 1.00 0.00 C ATOM 825 NZ LYS A 55 -14.753 17.257 1.172 1.00 0.00 N ATOM 0 H LYS A 55 -9.594 13.642 -1.166 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.199 16.588 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.196 14.918 -0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.386 15.937 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.145 17.909 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.133 17.251 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.340 16.751 -1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.079 15.783 0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.891 18.259 1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.935 18.651 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.212 17.997 1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.436 16.874 0.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.424 16.494 1.797 1.00 0.00 H new ATOM 839 N MET A 56 -8.023 14.562 0.942 1.00 0.00 N ATOM 840 CA MET A 56 -6.906 14.358 1.849 1.00 0.00 C ATOM 841 C MET A 56 -6.794 15.509 2.850 1.00 0.00 C ATOM 842 O MET A 56 -6.585 16.657 2.460 1.00 0.00 O ATOM 843 CB MET A 56 -5.608 14.253 1.044 1.00 0.00 C ATOM 844 CG MET A 56 -4.420 13.948 1.958 1.00 0.00 C ATOM 845 SD MET A 56 -4.668 12.383 2.781 1.00 0.00 S ATOM 846 CE MET A 56 -3.118 12.243 3.654 1.00 0.00 C ATOM 0 H MET A 56 -8.755 13.855 1.002 1.00 0.00 H new ATOM 0 HA MET A 56 -7.077 13.435 2.404 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.704 13.469 0.293 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.430 15.186 0.510 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.500 13.919 1.375 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.305 14.742 2.696 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.060 11.268 4.138 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.293 12.348 2.950 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.053 13.027 4.409 1.00 0.00 H new ATOM 856 N SER A 57 -6.940 15.163 4.120 1.00 0.00 N ATOM 857 CA SER A 57 -6.858 16.153 5.180 1.00 0.00 C ATOM 858 C SER A 57 -7.074 15.485 6.539 1.00 0.00 C ATOM 859 O SER A 57 -8.211 15.312 6.976 1.00 0.00 O ATOM 860 CB SER A 57 -7.881 17.271 4.969 1.00 0.00 C ATOM 861 OG SER A 57 -9.220 16.785 5.013 1.00 0.00 O ATOM 0 H SER A 57 -7.115 14.210 4.439 1.00 0.00 H new ATOM 0 HA SER A 57 -5.863 16.598 5.156 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.747 18.034 5.736 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.701 17.750 4.007 1.00 0.00 H new ATOM 0 HG SER A 57 -9.299 16.108 5.717 1.00 0.00 H new ATOM 867 N ILE A 58 -5.966 15.126 7.170 1.00 0.00 N ATOM 868 CA ILE A 58 -6.020 14.480 8.470 1.00 0.00 C ATOM 869 C ILE A 58 -4.807 14.908 9.298 1.00 0.00 C ATOM 870 O ILE A 58 -3.690 14.967 8.786 1.00 0.00 O ATOM 871 CB ILE A 58 -6.152 12.965 8.310 1.00 0.00 C ATOM 872 CG1 ILE A 58 -6.698 12.324 9.588 1.00 0.00 C ATOM 873 CG2 ILE A 58 -4.823 12.341 7.880 1.00 0.00 C ATOM 874 CD1 ILE A 58 -8.104 11.765 9.363 1.00 0.00 C ATOM 0 H ILE A 58 -5.025 15.270 6.805 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.908 14.798 9.017 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.873 12.767 7.517 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.032 11.524 9.911 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.720 13.063 10.389 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.945 11.263 7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.513 12.767 6.926 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.063 12.548 8.634 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.469 11.315 10.286 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.773 12.572 9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.074 11.009 8.578 1.00 0.00 H new ATOM 886 N HIS A 59 -5.067 15.196 10.565 1.00 0.00 N ATOM 887 CA HIS A 59 -4.010 15.617 11.469 1.00 0.00 C ATOM 888 C HIS A 59 -3.331 16.871 10.916 1.00 0.00 C ATOM 889 O HIS A 59 -2.106 16.980 10.941 1.00 0.00 O ATOM 890 CB HIS A 59 -3.026 14.474 11.725 1.00 0.00 C ATOM 891 CG HIS A 59 -3.106 13.894 13.117 1.00 0.00 C ATOM 892 ND1 HIS A 59 -2.972 12.541 13.375 1.00 0.00 N ATOM 893 CD2 HIS A 59 -3.307 14.498 14.324 1.00 0.00 C ATOM 894 CE1 HIS A 59 -3.089 12.351 14.681 1.00 0.00 C ATOM 895 NE2 HIS A 59 -3.298 13.564 15.267 1.00 0.00 N ATOM 0 H HIS A 59 -5.994 15.146 10.987 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.437 15.875 12.438 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.211 13.681 11.001 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.012 14.835 11.551 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -3.449 15.556 14.485 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.029 11.401 15.192 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -3.426 13.727 16.266 1.00 0.00 H new ATOM 903 N LEU A 60 -4.156 17.787 10.430 1.00 0.00 N ATOM 904 CA LEU A 60 -3.650 19.029 9.872 1.00 0.00 C ATOM 905 C LEU A 60 -2.710 18.714 8.706 1.00 0.00 C ATOM 906 O LEU A 60 -2.429 17.549 8.428 1.00 0.00 O ATOM 907 CB LEU A 60 -3.008 19.886 10.965 1.00 0.00 C ATOM 908 CG LEU A 60 -3.947 20.378 12.068 1.00 0.00 C ATOM 909 CD1 LEU A 60 -3.837 19.499 13.315 1.00 0.00 C ATOM 910 CD2 LEU A 60 -3.695 21.854 12.384 1.00 0.00 C ATOM 0 H LEU A 60 -5.172 17.694 10.411 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.468 19.627 9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.207 19.310 11.427 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.546 20.754 10.494 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.972 20.296 11.706 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.515 19.871 14.083 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.104 18.473 13.062 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.814 19.526 13.690 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.375 22.179 13.171 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.666 21.984 12.718 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.864 22.452 11.488 1.00 0.00 H new ATOM 922 N ILE A 61 -2.249 19.773 8.056 1.00 0.00 N ATOM 923 CA ILE A 61 -1.347 19.624 6.927 1.00 0.00 C ATOM 924 C ILE A 61 -0.021 19.035 7.414 1.00 0.00 C ATOM 925 O ILE A 61 0.457 19.382 8.493 1.00 0.00 O ATOM 926 CB ILE A 61 -1.194 20.953 6.185 1.00 0.00 C ATOM 927 CG1 ILE A 61 -0.050 21.781 6.774 1.00 0.00 C ATOM 928 CG2 ILE A 61 -2.513 21.727 6.168 1.00 0.00 C ATOM 929 CD1 ILE A 61 -0.337 22.155 8.229 1.00 0.00 C ATOM 0 H ILE A 61 -2.484 20.738 8.290 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.759 18.925 6.199 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.935 20.738 5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.880 21.215 6.717 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.090 22.686 6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.376 22.668 5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.277 21.133 5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.827 21.933 7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.492 22.743 8.624 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.255 22.741 8.280 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.453 21.248 8.822 1.00 0.00 H new ATOM 941 N HIS A 62 0.534 18.154 6.595 1.00 0.00 N ATOM 942 CA HIS A 62 1.795 17.513 6.929 1.00 0.00 C ATOM 943 C HIS A 62 2.651 17.377 5.668 1.00 0.00 C ATOM 944 O HIS A 62 2.161 16.952 4.623 1.00 0.00 O ATOM 945 CB HIS A 62 1.556 16.175 7.630 1.00 0.00 C ATOM 946 CG HIS A 62 0.450 15.349 7.017 1.00 0.00 C ATOM 947 ND1 HIS A 62 0.253 15.257 5.650 1.00 0.00 N ATOM 948 CD2 HIS A 62 -0.514 14.579 7.598 1.00 0.00 C ATOM 949 CE1 HIS A 62 -0.786 14.465 5.430 1.00 0.00 C ATOM 950 NE2 HIS A 62 -1.260 14.046 6.638 1.00 0.00 N ATOM 0 H HIS A 62 0.134 17.869 5.701 1.00 0.00 H new ATOM 0 HA HIS A 62 2.346 18.133 7.636 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.480 15.597 7.612 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.318 16.363 8.677 1.00 0.00 H new ATOM 0 HD1 HIS A 62 0.813 15.720 4.934 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.648 14.428 8.659 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.187 14.198 4.463 1.00 0.00 H new ATOM 958 N MET A 63 3.916 17.747 5.808 1.00 0.00 N ATOM 959 CA MET A 63 4.845 17.671 4.693 1.00 0.00 C ATOM 960 C MET A 63 4.582 16.426 3.844 1.00 0.00 C ATOM 961 O MET A 63 4.065 15.428 4.343 1.00 0.00 O ATOM 962 CB MET A 63 6.279 17.633 5.225 1.00 0.00 C ATOM 963 CG MET A 63 7.043 18.899 4.833 1.00 0.00 C ATOM 964 SD MET A 63 7.919 19.547 6.248 1.00 0.00 S ATOM 965 CE MET A 63 8.926 20.785 5.448 1.00 0.00 C ATOM 0 H MET A 63 4.319 18.100 6.676 1.00 0.00 H new ATOM 0 HA MET A 63 4.704 18.551 4.066 1.00 0.00 H new ATOM 0 HB2 MET A 63 6.265 17.534 6.310 1.00 0.00 H new ATOM 0 HB3 MET A 63 6.794 16.757 4.831 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.746 18.675 4.031 1.00 0.00 H new ATOM 0 HG3 MET A 63 6.350 19.648 4.450 1.00 0.00 H new ATOM 0 HE1 MET A 63 9.541 21.291 6.193 1.00 0.00 H new ATOM 0 HE2 MET A 63 9.570 20.308 4.709 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.283 21.513 4.954 1.00 0.00 H new ATOM 975 N ARG A 64 4.950 16.526 2.575 1.00 0.00 N ATOM 976 CA ARG A 64 4.761 15.421 1.651 1.00 0.00 C ATOM 977 C ARG A 64 5.561 14.201 2.112 1.00 0.00 C ATOM 978 O ARG A 64 4.987 13.156 2.417 1.00 0.00 O ATOM 979 CB ARG A 64 5.199 15.804 0.236 1.00 0.00 C ATOM 980 CG ARG A 64 3.987 16.061 -0.662 1.00 0.00 C ATOM 981 CD ARG A 64 4.383 16.873 -1.897 1.00 0.00 C ATOM 982 NE ARG A 64 5.207 16.043 -2.804 1.00 0.00 N ATOM 983 CZ ARG A 64 5.983 16.542 -3.790 1.00 0.00 C ATOM 984 NH1 ARG A 64 6.047 17.874 -4.004 1.00 0.00 N ATOM 985 NH2 ARG A 64 6.678 15.709 -4.541 1.00 0.00 N ATOM 0 H ARG A 64 5.378 17.356 2.165 1.00 0.00 H new ATOM 0 HA ARG A 64 3.698 15.179 1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.824 16.696 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.808 15.006 -0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.551 15.111 -0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.221 16.596 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.490 17.218 -2.417 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.940 17.760 -1.596 1.00 0.00 H new ATOM 0 HE ARG A 64 5.187 15.031 -2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.507 18.511 -3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.636 18.243 -4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.624 14.704 -4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.269 16.070 -5.290 1.00 0.00 H new ATOM 999 N VAL A 65 6.874 14.373 2.150 1.00 0.00 N ATOM 1000 CA VAL A 65 7.758 13.300 2.569 1.00 0.00 C ATOM 1001 C VAL A 65 7.433 12.910 4.012 1.00 0.00 C ATOM 1002 O VAL A 65 7.376 11.726 4.341 1.00 0.00 O ATOM 1003 CB VAL A 65 9.217 13.719 2.377 1.00 0.00 C ATOM 1004 CG1 VAL A 65 9.563 14.919 3.260 1.00 0.00 C ATOM 1005 CG2 VAL A 65 10.164 12.548 2.648 1.00 0.00 C ATOM 0 H VAL A 65 7.347 15.241 1.897 1.00 0.00 H new ATOM 0 HA VAL A 65 7.604 12.415 1.951 1.00 0.00 H new ATOM 0 HB VAL A 65 9.345 14.020 1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.606 15.197 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.921 15.760 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.410 14.657 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.195 12.873 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.032 12.203 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.941 11.733 1.959 1.00 0.00 H new ATOM 1015 N ALA A 66 7.227 13.929 4.834 1.00 0.00 N ATOM 1016 CA ALA A 66 6.908 13.708 6.234 1.00 0.00 C ATOM 1017 C ALA A 66 5.773 12.687 6.340 1.00 0.00 C ATOM 1018 O ALA A 66 5.940 11.628 6.941 1.00 0.00 O ATOM 1019 CB ALA A 66 6.556 15.042 6.895 1.00 0.00 C ATOM 0 H ALA A 66 7.275 14.909 4.557 1.00 0.00 H new ATOM 0 HA ALA A 66 7.769 13.299 6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.317 14.876 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.405 15.721 6.819 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.695 15.481 6.392 1.00 0.00 H new ATOM 1025 N ALA A 67 4.644 13.043 5.745 1.00 0.00 N ATOM 1026 CA ALA A 67 3.481 12.171 5.765 1.00 0.00 C ATOM 1027 C ALA A 67 3.881 10.784 5.258 1.00 0.00 C ATOM 1028 O ALA A 67 3.285 9.781 5.649 1.00 0.00 O ATOM 1029 CB ALA A 67 2.360 12.796 4.932 1.00 0.00 C ATOM 0 H ALA A 67 4.510 13.923 5.246 1.00 0.00 H new ATOM 0 HA ALA A 67 3.105 12.055 6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.488 12.142 4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.093 13.766 5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.699 12.925 3.904 1.00 0.00 H new ATOM 1035 N GLN A 68 4.887 10.771 4.396 1.00 0.00 N ATOM 1036 CA GLN A 68 5.373 9.524 3.832 1.00 0.00 C ATOM 1037 C GLN A 68 6.092 8.701 4.903 1.00 0.00 C ATOM 1038 O GLN A 68 5.954 7.480 4.949 1.00 0.00 O ATOM 1039 CB GLN A 68 6.288 9.784 2.633 1.00 0.00 C ATOM 1040 CG GLN A 68 5.818 9.001 1.405 1.00 0.00 C ATOM 1041 CD GLN A 68 6.996 8.315 0.709 1.00 0.00 C ATOM 1042 OE1 GLN A 68 7.188 7.113 0.798 1.00 0.00 O ATOM 1043 NE2 GLN A 68 7.770 9.142 0.014 1.00 0.00 N ATOM 0 H GLN A 68 5.379 11.605 4.074 1.00 0.00 H new ATOM 0 HA GLN A 68 4.517 8.951 3.476 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.302 10.850 2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.310 9.498 2.882 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.083 8.254 1.705 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.321 9.675 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.552 10.138 -0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.582 8.781 -0.487 1.00 0.00 H new ATOM 1052 N GLY A 69 6.844 9.404 5.737 1.00 0.00 N ATOM 1053 CA GLY A 69 7.585 8.754 6.805 1.00 0.00 C ATOM 1054 C GLY A 69 6.636 8.145 7.839 1.00 0.00 C ATOM 1055 O GLY A 69 6.784 6.983 8.214 1.00 0.00 O ATOM 0 H GLY A 69 6.956 10.417 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.223 7.975 6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.241 9.477 7.290 1.00 0.00 H new ATOM 1059 N PHE A 70 5.682 8.957 8.271 1.00 0.00 N ATOM 1060 CA PHE A 70 4.710 8.513 9.254 1.00 0.00 C ATOM 1061 C PHE A 70 3.913 7.314 8.735 1.00 0.00 C ATOM 1062 O PHE A 70 3.794 6.299 9.420 1.00 0.00 O ATOM 1063 CB PHE A 70 3.751 9.681 9.495 1.00 0.00 C ATOM 1064 CG PHE A 70 3.249 9.787 10.937 1.00 0.00 C ATOM 1065 CD1 PHE A 70 4.016 10.395 11.881 1.00 0.00 C ATOM 1066 CD2 PHE A 70 2.036 9.273 11.273 1.00 0.00 C ATOM 1067 CE1 PHE A 70 3.550 10.493 13.219 1.00 0.00 C ATOM 1068 CE2 PHE A 70 1.569 9.372 12.611 1.00 0.00 C ATOM 1069 CZ PHE A 70 2.336 9.979 13.555 1.00 0.00 C ATOM 0 H PHE A 70 5.562 9.920 7.958 1.00 0.00 H new ATOM 0 HA PHE A 70 5.219 8.209 10.169 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.252 10.611 9.226 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.894 9.577 8.829 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.979 10.803 11.613 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.428 8.790 10.523 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.159 10.975 13.969 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.605 8.965 12.878 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.981 10.053 14.572 1.00 0.00 H new ATOM 1079 N VAL A 71 3.388 7.471 7.529 1.00 0.00 N ATOM 1080 CA VAL A 71 2.606 6.414 6.910 1.00 0.00 C ATOM 1081 C VAL A 71 3.476 5.165 6.758 1.00 0.00 C ATOM 1082 O VAL A 71 3.116 4.091 7.239 1.00 0.00 O ATOM 1083 CB VAL A 71 2.025 6.903 5.582 1.00 0.00 C ATOM 1084 CG1 VAL A 71 1.718 5.727 4.652 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.778 7.760 5.812 1.00 0.00 C ATOM 0 H VAL A 71 3.489 8.314 6.964 1.00 0.00 H new ATOM 0 HA VAL A 71 1.759 6.145 7.541 1.00 0.00 H new ATOM 0 HB VAL A 71 2.776 7.527 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.306 6.102 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.635 5.174 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.994 5.066 5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.385 8.095 4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.021 7.170 6.328 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.039 8.627 6.419 1.00 0.00 H new ATOM 1095 N VAL A 72 4.604 5.346 6.086 1.00 0.00 N ATOM 1096 CA VAL A 72 5.528 4.246 5.865 1.00 0.00 C ATOM 1097 C VAL A 72 5.721 3.476 7.173 1.00 0.00 C ATOM 1098 O VAL A 72 5.757 2.247 7.174 1.00 0.00 O ATOM 1099 CB VAL A 72 6.841 4.775 5.284 1.00 0.00 C ATOM 1100 CG1 VAL A 72 8.006 3.844 5.625 1.00 0.00 C ATOM 1101 CG2 VAL A 72 6.727 4.981 3.772 1.00 0.00 C ATOM 0 H VAL A 72 4.899 6.237 5.688 1.00 0.00 H new ATOM 0 HA VAL A 72 5.122 3.547 5.134 1.00 0.00 H new ATOM 0 HB VAL A 72 7.043 5.744 5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.927 4.243 5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.108 3.770 6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.814 2.854 5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.673 5.357 3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.490 4.031 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.936 5.701 3.562 1.00 0.00 H new ATOM 1111 N GLY A 73 5.839 4.231 8.255 1.00 0.00 N ATOM 1112 CA GLY A 73 6.027 3.635 9.567 1.00 0.00 C ATOM 1113 C GLY A 73 4.839 2.746 9.940 1.00 0.00 C ATOM 1114 O GLY A 73 5.015 1.571 10.259 1.00 0.00 O ATOM 0 H GLY A 73 5.808 5.251 8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.944 3.045 9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.147 4.420 10.313 1.00 0.00 H new ATOM 1118 N ALA A 74 3.657 3.342 9.889 1.00 0.00 N ATOM 1119 CA ALA A 74 2.440 2.618 10.218 1.00 0.00 C ATOM 1120 C ALA A 74 2.345 1.366 9.345 1.00 0.00 C ATOM 1121 O ALA A 74 1.933 0.306 9.816 1.00 0.00 O ATOM 1122 CB ALA A 74 1.234 3.543 10.044 1.00 0.00 C ATOM 0 H ALA A 74 3.516 4.317 9.625 1.00 0.00 H new ATOM 0 HA ALA A 74 2.455 2.294 11.259 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.321 3.001 10.290 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.336 4.402 10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.185 3.886 9.011 1.00 0.00 H new ATOM 1128 N MET A 75 2.732 1.528 8.088 1.00 0.00 N ATOM 1129 CA MET A 75 2.695 0.423 7.145 1.00 0.00 C ATOM 1130 C MET A 75 3.763 -0.620 7.481 1.00 0.00 C ATOM 1131 O MET A 75 3.567 -1.812 7.245 1.00 0.00 O ATOM 1132 CB MET A 75 2.927 0.953 5.729 1.00 0.00 C ATOM 1133 CG MET A 75 2.865 -0.180 4.702 1.00 0.00 C ATOM 1134 SD MET A 75 3.565 0.361 3.152 1.00 0.00 S ATOM 1135 CE MET A 75 5.087 -0.572 3.158 1.00 0.00 C ATOM 0 H MET A 75 3.073 2.408 7.701 1.00 0.00 H new ATOM 0 HA MET A 75 1.716 -0.053 7.209 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.175 1.706 5.491 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.898 1.444 5.675 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.410 -1.048 5.073 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.831 -0.492 4.554 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.652 -0.352 2.253 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.679 -0.297 4.031 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.860 -1.638 3.194 1.00 0.00 H new ATOM 1145 N THR A 76 4.868 -0.135 8.026 1.00 0.00 N ATOM 1146 CA THR A 76 5.967 -1.010 8.397 1.00 0.00 C ATOM 1147 C THR A 76 5.533 -1.971 9.506 1.00 0.00 C ATOM 1148 O THR A 76 5.709 -3.182 9.387 1.00 0.00 O ATOM 1149 CB THR A 76 7.160 -0.134 8.785 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.697 0.294 7.536 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.294 -0.938 9.423 1.00 0.00 C ATOM 0 H THR A 76 5.026 0.854 8.220 1.00 0.00 H new ATOM 0 HA THR A 76 6.268 -1.642 7.561 1.00 0.00 H new ATOM 0 HB THR A 76 6.831 0.641 9.477 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.151 1.025 7.178 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.115 -0.269 9.679 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.930 -1.427 10.326 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.646 -1.692 8.719 1.00 0.00 H new ATOM 1159 N VAL A 77 4.973 -1.394 10.559 1.00 0.00 N ATOM 1160 CA VAL A 77 4.512 -2.184 11.688 1.00 0.00 C ATOM 1161 C VAL A 77 3.368 -3.093 11.236 1.00 0.00 C ATOM 1162 O VAL A 77 3.374 -4.290 11.518 1.00 0.00 O ATOM 1163 CB VAL A 77 4.122 -1.263 12.846 1.00 0.00 C ATOM 1164 CG1 VAL A 77 5.325 -0.450 13.330 1.00 0.00 C ATOM 1165 CG2 VAL A 77 2.964 -0.345 12.450 1.00 0.00 C ATOM 0 H VAL A 77 4.828 -0.389 10.654 1.00 0.00 H new ATOM 0 HA VAL A 77 5.312 -2.827 12.056 1.00 0.00 H new ATOM 0 HB VAL A 77 3.786 -1.889 13.673 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.020 0.196 14.153 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.108 -1.127 13.671 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.705 0.161 12.511 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.706 0.299 13.291 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.261 0.269 11.600 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.098 -0.948 12.177 1.00 0.00 H new ATOM 1175 N GLY A 78 2.415 -2.490 10.541 1.00 0.00 N ATOM 1176 CA GLY A 78 1.267 -3.231 10.047 1.00 0.00 C ATOM 1177 C GLY A 78 1.709 -4.431 9.208 1.00 0.00 C ATOM 1178 O GLY A 78 1.224 -5.544 9.407 1.00 0.00 O ATOM 0 H GLY A 78 2.414 -1.497 10.308 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.662 -3.573 10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.637 -2.575 9.446 1.00 0.00 H new ATOM 1182 N MET A 79 2.623 -4.165 8.287 1.00 0.00 N ATOM 1183 CA MET A 79 3.136 -5.209 7.417 1.00 0.00 C ATOM 1184 C MET A 79 3.890 -6.271 8.220 1.00 0.00 C ATOM 1185 O MET A 79 3.638 -7.465 8.068 1.00 0.00 O ATOM 1186 CB MET A 79 4.073 -4.593 6.377 1.00 0.00 C ATOM 1187 CG MET A 79 4.261 -5.532 5.183 1.00 0.00 C ATOM 1188 SD MET A 79 3.328 -4.935 3.784 1.00 0.00 S ATOM 1189 CE MET A 79 3.753 -6.178 2.575 1.00 0.00 C ATOM 0 H MET A 79 3.022 -3.240 8.124 1.00 0.00 H new ATOM 0 HA MET A 79 2.293 -5.688 6.920 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.667 -3.641 6.035 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.040 -4.381 6.834 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.318 -5.598 4.924 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.934 -6.538 5.446 1.00 0.00 H new ATOM 0 HE1 MET A 79 3.251 -5.956 1.633 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.832 -6.180 2.419 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.436 -7.157 2.933 1.00 0.00 H new ATOM 1199 N GLY A 80 4.802 -5.797 9.056 1.00 0.00 N ATOM 1200 CA GLY A 80 5.595 -6.690 9.884 1.00 0.00 C ATOM 1201 C GLY A 80 4.703 -7.693 10.619 1.00 0.00 C ATOM 1202 O GLY A 80 5.050 -8.867 10.736 1.00 0.00 O ATOM 0 H GLY A 80 5.010 -4.806 9.178 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.314 -7.224 9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.167 -6.109 10.607 1.00 0.00 H new ATOM 1206 N TYR A 81 3.572 -7.193 11.094 1.00 0.00 N ATOM 1207 CA TYR A 81 2.628 -8.031 11.814 1.00 0.00 C ATOM 1208 C TYR A 81 1.677 -8.740 10.848 1.00 0.00 C ATOM 1209 O TYR A 81 1.064 -9.747 11.202 1.00 0.00 O ATOM 1210 CB TYR A 81 1.820 -7.085 12.705 1.00 0.00 C ATOM 1211 CG TYR A 81 0.701 -7.774 13.489 1.00 0.00 C ATOM 1212 CD1 TYR A 81 -0.466 -8.139 12.849 1.00 0.00 C ATOM 1213 CD2 TYR A 81 0.858 -8.030 14.836 1.00 0.00 C ATOM 1214 CE1 TYR A 81 -1.520 -8.787 13.587 1.00 0.00 C ATOM 1215 CE2 TYR A 81 -0.195 -8.678 15.574 1.00 0.00 C ATOM 1216 CZ TYR A 81 -1.332 -9.024 14.913 1.00 0.00 C ATOM 1217 OH TYR A 81 -2.327 -9.636 15.610 1.00 0.00 O ATOM 0 H TYR A 81 3.288 -6.218 10.995 1.00 0.00 H new ATOM 0 HA TYR A 81 3.152 -8.798 12.385 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.496 -6.598 13.408 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.386 -6.301 12.085 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.589 -7.939 11.795 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.771 -7.744 15.337 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.438 -9.078 13.099 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.084 -8.885 16.628 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.054 -9.742 16.545 1.00 0.00 H new ATOM 1227 N SER A 82 1.583 -8.188 9.648 1.00 0.00 N ATOM 1228 CA SER A 82 0.717 -8.756 8.628 1.00 0.00 C ATOM 1229 C SER A 82 -0.580 -9.259 9.265 1.00 0.00 C ATOM 1230 O SER A 82 -0.677 -10.425 9.644 1.00 0.00 O ATOM 1231 CB SER A 82 1.418 -9.892 7.881 1.00 0.00 C ATOM 1232 OG SER A 82 1.109 -9.886 6.490 1.00 0.00 O ATOM 0 H SER A 82 2.092 -7.353 9.358 1.00 0.00 H new ATOM 0 HA SER A 82 0.480 -7.975 7.905 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.496 -9.802 8.013 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.122 -10.848 8.314 1.00 0.00 H new ATOM 0 HG SER A 82 1.577 -10.625 6.048 1.00 0.00 H new ATOM 1238 N MET A 83 -1.543 -8.356 9.362 1.00 0.00 N ATOM 1239 CA MET A 83 -2.830 -8.694 9.946 1.00 0.00 C ATOM 1240 C MET A 83 -3.475 -9.869 9.209 1.00 0.00 C ATOM 1241 O MET A 83 -3.025 -10.253 8.130 1.00 0.00 O ATOM 1242 CB MET A 83 -3.757 -7.478 9.878 1.00 0.00 C ATOM 1243 CG MET A 83 -3.324 -6.402 10.876 1.00 0.00 C ATOM 1244 SD MET A 83 -4.570 -6.204 12.139 1.00 0.00 S ATOM 1245 CE MET A 83 -4.741 -4.428 12.131 1.00 0.00 C ATOM 0 H MET A 83 -1.459 -7.390 9.046 1.00 0.00 H new ATOM 0 HA MET A 83 -2.671 -8.984 10.985 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.750 -7.067 8.869 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.781 -7.785 10.090 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.373 -6.678 11.332 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.166 -5.456 10.358 1.00 0.00 H new ATOM 0 HE1 MET A 83 -5.487 -4.131 12.868 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.784 -3.969 12.378 1.00 0.00 H new ATOM 0 HE3 MET A 83 -5.057 -4.097 11.142 1.00 0.00 H new ATOM 1255 N TYR A 84 -4.519 -10.409 9.821 1.00 0.00 N ATOM 1256 CA TYR A 84 -5.231 -11.533 9.236 1.00 0.00 C ATOM 1257 C TYR A 84 -4.258 -12.520 8.588 1.00 0.00 C ATOM 1258 O TYR A 84 -4.382 -12.832 7.404 1.00 0.00 O ATOM 1259 CB TYR A 84 -6.136 -10.942 8.153 1.00 0.00 C ATOM 1260 CG TYR A 84 -7.332 -11.825 7.793 1.00 0.00 C ATOM 1261 CD1 TYR A 84 -8.495 -11.748 8.533 1.00 0.00 C ATOM 1262 CD2 TYR A 84 -7.249 -12.698 6.727 1.00 0.00 C ATOM 1263 CE1 TYR A 84 -9.620 -12.580 8.193 1.00 0.00 C ATOM 1264 CE2 TYR A 84 -8.374 -13.529 6.388 1.00 0.00 C ATOM 1265 CZ TYR A 84 -9.505 -13.429 7.137 1.00 0.00 C ATOM 1266 OH TYR A 84 -10.568 -14.214 6.816 1.00 0.00 O ATOM 0 H TYR A 84 -4.889 -10.089 10.716 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.791 -12.072 10.000 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.502 -9.972 8.489 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.544 -10.766 7.255 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.561 -11.064 9.366 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.340 -12.757 6.147 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.535 -12.531 8.764 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.321 -14.217 5.557 1.00 0.00 H new ATOM 0 HH TYR A 84 -10.343 -14.769 6.040 1.00 0.00 H new ATOM 1276 N ARG A 85 -3.311 -12.983 9.391 1.00 0.00 N ATOM 1277 CA ARG A 85 -2.318 -13.928 8.910 1.00 0.00 C ATOM 1278 C ARG A 85 -1.291 -14.222 10.006 1.00 0.00 C ATOM 1279 O ARG A 85 -0.850 -13.314 10.708 1.00 0.00 O ATOM 1280 CB ARG A 85 -1.595 -13.386 7.675 1.00 0.00 C ATOM 1281 CG ARG A 85 -1.594 -14.417 6.544 1.00 0.00 C ATOM 1282 CD ARG A 85 -0.493 -15.458 6.752 1.00 0.00 C ATOM 1283 NE ARG A 85 -0.545 -16.471 5.674 1.00 0.00 N ATOM 1284 CZ ARG A 85 -0.214 -16.226 4.388 1.00 0.00 C ATOM 1285 NH1 ARG A 85 0.195 -14.997 4.009 1.00 0.00 N ATOM 1286 NH2 ARG A 85 -0.298 -17.207 3.508 1.00 0.00 N ATOM 0 H ARG A 85 -3.211 -12.721 10.372 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.838 -14.847 8.638 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.081 -12.471 7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.569 -13.125 7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.564 -14.912 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.448 -13.914 5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.482 -14.972 6.759 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.615 -15.940 7.722 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.850 -17.413 5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.256 -14.245 4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.443 -14.820 3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.609 -18.132 3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.052 -17.039 2.532 1.00 0.00 H new ATOM 1300 N GLU A 86 -0.941 -15.495 10.118 1.00 0.00 N ATOM 1301 CA GLU A 86 0.025 -15.920 11.116 1.00 0.00 C ATOM 1302 C GLU A 86 1.438 -15.508 10.696 1.00 0.00 C ATOM 1303 O GLU A 86 2.108 -16.235 9.964 1.00 0.00 O ATOM 1304 CB GLU A 86 -0.058 -17.429 11.352 1.00 0.00 C ATOM 1305 CG GLU A 86 0.135 -17.764 12.833 1.00 0.00 C ATOM 1306 CD GLU A 86 -0.509 -19.108 13.180 1.00 0.00 C ATOM 1307 OE1 GLU A 86 -1.753 -19.046 13.517 1.00 0.00 O ATOM 1308 OE2 GLU A 86 0.161 -20.149 13.125 1.00 0.00 O ATOM 0 H GLU A 86 -1.309 -16.246 9.534 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.213 -15.425 12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.025 -17.801 11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.703 -17.936 10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.199 -17.796 13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.303 -16.977 13.447 1.00 0.00 H new ATOM 1315 N PHE A 87 1.848 -14.344 11.178 1.00 0.00 N ATOM 1316 CA PHE A 87 3.169 -13.828 10.862 1.00 0.00 C ATOM 1317 C PHE A 87 3.596 -12.760 11.872 1.00 0.00 C ATOM 1318 O PHE A 87 2.978 -11.700 11.958 1.00 0.00 O ATOM 1319 CB PHE A 87 3.080 -13.193 9.473 1.00 0.00 C ATOM 1320 CG PHE A 87 4.440 -12.894 8.837 1.00 0.00 C ATOM 1321 CD1 PHE A 87 5.239 -11.928 9.364 1.00 0.00 C ATOM 1322 CD2 PHE A 87 4.849 -13.595 7.746 1.00 0.00 C ATOM 1323 CE1 PHE A 87 6.501 -11.651 8.773 1.00 0.00 C ATOM 1324 CE2 PHE A 87 6.110 -13.318 7.156 1.00 0.00 C ATOM 1325 CZ PHE A 87 6.910 -12.352 7.682 1.00 0.00 C ATOM 0 H PHE A 87 1.289 -13.744 11.785 1.00 0.00 H new ATOM 0 HA PHE A 87 3.902 -14.634 10.895 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.521 -13.859 8.815 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.512 -12.265 9.544 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.915 -11.372 10.231 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.214 -14.363 7.328 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.136 -10.883 9.190 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.434 -13.875 6.289 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.870 -12.142 7.233 1.00 0.00 H new ATOM 1335 N TRP A 88 4.650 -13.076 12.610 1.00 0.00 N ATOM 1336 CA TRP A 88 5.166 -12.157 13.610 1.00 0.00 C ATOM 1337 C TRP A 88 6.611 -11.818 13.238 1.00 0.00 C ATOM 1338 O TRP A 88 7.249 -12.547 12.480 1.00 0.00 O ATOM 1339 CB TRP A 88 5.033 -12.746 15.016 1.00 0.00 C ATOM 1340 CG TRP A 88 6.199 -13.648 15.426 1.00 0.00 C ATOM 1341 CD1 TRP A 88 6.707 -14.693 14.758 1.00 0.00 C ATOM 1342 CD2 TRP A 88 6.986 -13.543 16.631 1.00 0.00 C ATOM 1343 NE1 TRP A 88 7.760 -15.267 15.442 1.00 0.00 N ATOM 1344 CE2 TRP A 88 7.934 -14.545 16.617 1.00 0.00 C ATOM 1345 CE3 TRP A 88 6.899 -12.630 17.697 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 8.868 -14.730 17.644 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 7.839 -12.829 18.715 1.00 0.00 C ATOM 1348 CH2 TRP A 88 8.800 -13.833 18.717 1.00 0.00 C ATOM 0 H TRP A 88 5.161 -13.956 12.535 1.00 0.00 H new ATOM 0 HA TRP A 88 4.584 -11.235 13.625 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.948 -11.930 15.734 1.00 0.00 H new ATOM 0 HB3 TRP A 88 4.107 -13.318 15.073 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.339 -15.042 13.805 1.00 0.00 H new ATOM 0 HE1 TRP A 88 8.309 -16.072 15.141 1.00 0.00 H new ATOM 0 HE3 TRP A 88 6.165 -11.838 17.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 9.601 -15.522 17.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 7.816 -12.155 19.558 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.491 -13.921 19.542 1.00 0.00 H new ATOM 1359 N ALA A 89 7.085 -10.710 13.789 1.00 0.00 N ATOM 1360 CA ALA A 89 8.443 -10.265 13.525 1.00 0.00 C ATOM 1361 C ALA A 89 9.390 -11.465 13.585 1.00 0.00 C ATOM 1362 O ALA A 89 9.601 -12.040 14.652 1.00 0.00 O ATOM 1363 CB ALA A 89 8.825 -9.170 14.523 1.00 0.00 C ATOM 0 H ALA A 89 6.553 -10.107 14.417 1.00 0.00 H new ATOM 0 HA ALA A 89 8.518 -9.836 12.526 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.844 -8.836 14.325 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.141 -8.328 14.419 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.763 -9.564 15.537 1.00 0.00 H new ATOM 1369 N LYS A 90 9.934 -11.808 12.427 1.00 0.00 N ATOM 1370 CA LYS A 90 10.853 -12.930 12.335 1.00 0.00 C ATOM 1371 C LYS A 90 11.873 -12.658 11.228 1.00 0.00 C ATOM 1372 O LYS A 90 11.787 -13.234 10.144 1.00 0.00 O ATOM 1373 CB LYS A 90 10.083 -14.239 12.154 1.00 0.00 C ATOM 1374 CG LYS A 90 10.570 -15.302 13.141 1.00 0.00 C ATOM 1375 CD LYS A 90 10.786 -16.645 12.438 1.00 0.00 C ATOM 1376 CE LYS A 90 11.009 -17.766 13.456 1.00 0.00 C ATOM 1377 NZ LYS A 90 10.004 -18.837 13.274 1.00 0.00 N ATOM 0 H LYS A 90 9.756 -11.329 11.544 1.00 0.00 H new ATOM 0 HA LYS A 90 11.412 -13.042 13.264 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.018 -14.062 12.301 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.208 -14.601 11.133 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.502 -14.975 13.603 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.841 -15.420 13.943 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.920 -16.879 11.818 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.646 -16.577 11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.012 -18.177 13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.943 -17.365 14.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.169 -19.590 13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.050 -18.444 13.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.086 -19.230 12.315 1.00 0.00 H new ATOM 1391 N PRO A 91 12.841 -11.757 11.546 1.00 0.00 N ATOM 1392 CA PRO A 91 13.877 -11.401 10.591 1.00 0.00 C ATOM 1393 C PRO A 91 14.912 -12.520 10.464 1.00 0.00 C ATOM 1394 O PRO A 91 16.086 -12.322 10.773 1.00 0.00 O ATOM 1395 CB PRO A 91 14.467 -10.102 11.116 1.00 0.00 C ATOM 1396 CG PRO A 91 14.064 -10.023 12.579 1.00 0.00 C ATOM 1397 CD PRO A 91 12.974 -11.055 12.820 1.00 0.00 C ATOM 0 HA PRO A 91 13.490 -11.267 9.581 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.552 -10.094 11.009 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.085 -9.246 10.559 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.922 -10.217 13.222 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.703 -9.023 12.822 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.247 -11.740 13.623 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.037 -10.581 13.111 1.00 0.00 H new ATOM 1405 N LYS A 92 14.440 -13.671 10.009 1.00 0.00 N ATOM 1406 CA LYS A 92 15.310 -14.822 9.837 1.00 0.00 C ATOM 1407 C LYS A 92 15.281 -15.264 8.372 1.00 0.00 C ATOM 1408 O LYS A 92 14.527 -16.165 8.007 1.00 0.00 O ATOM 1409 CB LYS A 92 14.934 -15.931 10.821 1.00 0.00 C ATOM 1410 CG LYS A 92 16.118 -16.867 11.072 1.00 0.00 C ATOM 1411 CD LYS A 92 15.660 -18.325 11.135 1.00 0.00 C ATOM 1412 CE LYS A 92 16.659 -19.180 11.918 1.00 0.00 C ATOM 1413 NZ LYS A 92 15.951 -20.057 12.877 1.00 0.00 N ATOM 0 H LYS A 92 13.466 -13.831 9.754 1.00 0.00 H new ATOM 0 HA LYS A 92 16.341 -14.557 10.070 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.608 -15.491 11.763 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.092 -16.501 10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.855 -16.748 10.278 1.00 0.00 H new ATOM 0 HG3 LYS A 92 16.609 -16.596 12.006 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.679 -18.382 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.551 -18.720 10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.247 -19.785 11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.357 -18.536 12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.644 -20.630 13.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.409 -19.474 13.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.302 -20.684 12.360 1.00 0.00 H new ATOM 1427 N PRO A 93 16.133 -14.592 7.552 1.00 0.00 N ATOM 1428 CA PRO A 93 16.211 -14.906 6.135 1.00 0.00 C ATOM 1429 C PRO A 93 16.968 -16.216 5.905 1.00 0.00 C ATOM 1430 O PRO A 93 16.356 -17.274 5.766 1.00 0.00 O ATOM 1431 CB PRO A 93 16.897 -13.706 5.503 1.00 0.00 C ATOM 1432 CG PRO A 93 17.591 -12.976 6.641 1.00 0.00 C ATOM 1433 CD PRO A 93 17.040 -13.520 7.949 1.00 0.00 C ATOM 0 HA PRO A 93 15.231 -15.070 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 93 17.615 -14.021 4.745 1.00 0.00 H new ATOM 0 HB3 PRO A 93 16.174 -13.059 5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 93 18.669 -13.126 6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 93 17.415 -11.903 6.570 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.838 -13.894 8.590 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.517 -12.746 8.510 1.00 0.00 H new TER 1441 PRO A 93