USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 565 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 6 SER OG : rot -27:sc= 0.119 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 6:sc= -3.87! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 25 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.5) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 30 GLN : amide:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -139:sc= -2.98! (180deg=-5.06!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -169:sc= -0.0031 (180deg=-0.257) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -3.88! K(o=-3.9!,f=-1.6) USER MOD Single : A 55 ASN : amide:sc= -0.0105 X(o=-0.01,f=-0.15) USER MOD Single : A 61 ASN : amide:sc= -0.618 K(o=-0.62,f=-16!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.339 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0256 X(o=-0.026,f=0.17) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -11.491 5.153 6.047 1.00 0.00 N ATOM 49 CA SER A 6 -10.422 6.124 5.887 1.00 0.00 C ATOM 50 C SER A 6 -10.086 6.292 4.404 1.00 0.00 C ATOM 51 O SER A 6 -9.751 7.390 3.960 1.00 0.00 O ATOM 52 CB SER A 6 -9.176 5.705 6.670 1.00 0.00 C ATOM 53 OG SER A 6 -8.778 4.371 6.366 1.00 0.00 O ATOM 0 HA SER A 6 -10.764 7.079 6.286 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.358 6.388 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.374 5.790 7.739 1.00 0.00 H new ATOM 0 HG SER A 6 -9.559 3.854 6.079 1.00 0.00 H new ATOM 59 N GLY A 7 -10.187 5.188 3.678 1.00 0.00 N ATOM 60 CA GLY A 7 -9.898 5.200 2.254 1.00 0.00 C ATOM 61 C GLY A 7 -10.513 6.428 1.580 1.00 0.00 C ATOM 62 O GLY A 7 -9.988 6.921 0.583 1.00 0.00 O ATOM 0 H GLY A 7 -10.465 4.280 4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.819 5.197 2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.289 4.293 1.792 1.00 0.00 H new ATOM 66 N ALA A 8 -11.617 6.886 2.151 1.00 0.00 N ATOM 67 CA ALA A 8 -12.310 8.047 1.617 1.00 0.00 C ATOM 68 C ALA A 8 -11.653 9.319 2.156 1.00 0.00 C ATOM 69 O ALA A 8 -11.485 10.293 1.424 1.00 0.00 O ATOM 70 CB ALA A 8 -13.795 7.962 1.972 1.00 0.00 C ATOM 0 H ALA A 8 -12.049 6.474 2.978 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.236 8.073 0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.315 8.832 1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.221 7.055 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.909 7.938 3.056 1.00 0.00 H new ATOM 76 N SER A 9 -11.298 9.269 3.432 1.00 0.00 N ATOM 77 CA SER A 9 -10.664 10.406 4.077 1.00 0.00 C ATOM 78 C SER A 9 -9.512 10.923 3.213 1.00 0.00 C ATOM 79 O SER A 9 -9.277 12.128 3.140 1.00 0.00 O ATOM 80 CB SER A 9 -10.155 10.035 5.472 1.00 0.00 C ATOM 81 OG SER A 9 -9.770 11.183 6.223 1.00 0.00 O ATOM 0 H SER A 9 -11.437 8.459 4.036 1.00 0.00 H new ATOM 0 HA SER A 9 -11.409 11.194 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.934 9.494 6.010 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.304 9.360 5.380 1.00 0.00 H new ATOM 0 HG SER A 9 -9.453 10.904 7.107 1.00 0.00 H new ATOM 87 N LEU A 10 -8.823 9.985 2.579 1.00 0.00 N ATOM 88 CA LEU A 10 -7.702 10.330 1.722 1.00 0.00 C ATOM 89 C LEU A 10 -8.144 11.391 0.712 1.00 0.00 C ATOM 90 O LEU A 10 -7.320 12.143 0.194 1.00 0.00 O ATOM 91 CB LEU A 10 -7.114 9.074 1.075 1.00 0.00 C ATOM 92 CG LEU A 10 -6.107 8.293 1.922 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.662 8.020 3.321 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.678 7.005 1.214 1.00 0.00 C ATOM 0 H LEU A 10 -9.020 8.986 2.642 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.894 10.766 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.934 8.406 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.628 9.363 0.143 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.214 8.907 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.926 7.464 3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.877 8.966 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.579 7.436 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.962 6.469 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.552 6.376 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.214 7.252 0.259 1.00 0.00 H new ATOM 106 N LEU A 11 -9.446 11.420 0.464 1.00 0.00 N ATOM 107 CA LEU A 11 -10.008 12.376 -0.474 1.00 0.00 C ATOM 108 C LEU A 11 -10.169 13.730 0.220 1.00 0.00 C ATOM 109 O LEU A 11 -10.130 14.774 -0.430 1.00 0.00 O ATOM 110 CB LEU A 11 -11.306 11.836 -1.077 1.00 0.00 C ATOM 111 CG LEU A 11 -11.170 10.593 -1.959 1.00 0.00 C ATOM 112 CD1 LEU A 11 -11.011 10.980 -3.431 1.00 0.00 C ATOM 113 CD2 LEU A 11 -10.026 9.700 -1.474 1.00 0.00 C ATOM 0 H LEU A 11 -10.127 10.796 0.897 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.332 12.527 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.993 11.606 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.766 12.628 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.089 10.013 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.916 10.078 -4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.885 11.544 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.118 11.593 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.951 8.824 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.090 10.257 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.222 9.382 -0.450 1.00 0.00 H new ATOM 125 N ALA A 12 -10.346 13.669 1.532 1.00 0.00 N ATOM 126 CA ALA A 12 -10.513 14.878 2.321 1.00 0.00 C ATOM 127 C ALA A 12 -9.165 15.279 2.923 1.00 0.00 C ATOM 128 O ALA A 12 -8.986 16.419 3.350 1.00 0.00 O ATOM 129 CB ALA A 12 -11.583 14.646 3.390 1.00 0.00 C ATOM 0 H ALA A 12 -10.377 12.802 2.068 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.852 15.702 1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.708 15.553 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.528 14.392 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.276 13.827 4.041 1.00 0.00 H new ATOM 135 N ARG A 13 -8.251 14.319 2.939 1.00 0.00 N ATOM 136 CA ARG A 13 -6.925 14.558 3.482 1.00 0.00 C ATOM 137 C ARG A 13 -5.967 14.995 2.372 1.00 0.00 C ATOM 138 O ARG A 13 -5.357 16.059 2.456 1.00 0.00 O ATOM 139 CB ARG A 13 -6.372 13.302 4.158 1.00 0.00 C ATOM 140 CG ARG A 13 -6.553 13.371 5.676 1.00 0.00 C ATOM 141 CD ARG A 13 -6.025 12.103 6.350 1.00 0.00 C ATOM 142 NE ARG A 13 -6.086 12.249 7.821 1.00 0.00 N ATOM 143 CZ ARG A 13 -5.417 11.470 8.682 1.00 0.00 C ATOM 144 NH1 ARG A 13 -4.632 10.485 8.223 1.00 0.00 N ATOM 145 NH2 ARG A 13 -5.532 11.675 10.001 1.00 0.00 N ATOM 0 H ARG A 13 -8.403 13.375 2.585 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.010 15.350 4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.881 12.421 3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.314 13.192 3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.028 14.242 6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.609 13.501 5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.616 11.242 6.037 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.998 11.916 6.037 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.674 12.989 8.204 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.544 10.329 7.219 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.123 9.892 8.878 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.129 12.424 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.022 11.082 10.656 1.00 0.00 H new ATOM 159 N TYR A 14 -5.865 14.150 1.356 1.00 0.00 N ATOM 160 CA TYR A 14 -4.993 14.435 0.230 1.00 0.00 C ATOM 161 C TYR A 14 -5.795 14.938 -0.972 1.00 0.00 C ATOM 162 O TYR A 14 -6.979 14.634 -1.104 1.00 0.00 O ATOM 163 CB TYR A 14 -4.328 13.106 -0.135 1.00 0.00 C ATOM 164 CG TYR A 14 -3.472 12.510 0.984 1.00 0.00 C ATOM 165 CD1 TYR A 14 -4.057 11.723 1.955 1.00 0.00 C ATOM 166 CD2 TYR A 14 -2.115 12.759 1.023 1.00 0.00 C ATOM 167 CE1 TYR A 14 -3.252 11.162 3.009 1.00 0.00 C ATOM 168 CE2 TYR A 14 -1.310 12.198 2.076 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.918 11.427 3.017 1.00 0.00 C ATOM 170 OH TYR A 14 -1.158 10.897 4.012 1.00 0.00 O ATOM 0 H TYR A 14 -6.372 13.268 1.290 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.269 15.207 0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.101 12.388 -0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.704 13.254 -1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.119 11.528 1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.657 13.375 0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.697 10.545 3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.247 12.385 2.118 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.706 10.294 4.556 1.00 0.00 H new ATOM 180 N PRO A 15 -5.099 15.720 -1.841 1.00 0.00 N ATOM 181 CA PRO A 15 -5.733 16.268 -3.027 1.00 0.00 C ATOM 182 C PRO A 15 -5.923 15.189 -4.096 1.00 0.00 C ATOM 183 O PRO A 15 -5.418 14.076 -3.955 1.00 0.00 O ATOM 184 CB PRO A 15 -4.819 17.395 -3.477 1.00 0.00 C ATOM 185 CG PRO A 15 -3.479 17.138 -2.807 1.00 0.00 C ATOM 186 CD PRO A 15 -3.695 16.101 -1.717 1.00 0.00 C ATOM 0 HA PRO A 15 -6.738 16.642 -2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.717 17.406 -4.562 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.222 18.365 -3.185 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.750 16.781 -3.535 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.081 18.060 -2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.038 15.242 -1.852 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.482 16.513 -0.731 1.00 0.00 H new ATOM 194 N PRO A 16 -6.671 15.566 -5.167 1.00 0.00 N ATOM 195 CA PRO A 16 -6.933 14.644 -6.259 1.00 0.00 C ATOM 196 C PRO A 16 -5.694 14.471 -7.140 1.00 0.00 C ATOM 197 O PRO A 16 -5.530 13.440 -7.791 1.00 0.00 O ATOM 198 CB PRO A 16 -8.114 15.243 -7.005 1.00 0.00 C ATOM 199 CG PRO A 16 -8.173 16.703 -6.588 1.00 0.00 C ATOM 200 CD PRO A 16 -7.284 16.876 -5.367 1.00 0.00 C ATOM 0 HA PRO A 16 -7.167 13.637 -5.913 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.983 15.150 -8.083 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.039 14.726 -6.750 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.835 17.346 -7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.198 16.993 -6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.530 17.645 -5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.863 17.180 -4.495 1.00 0.00 H new ATOM 208 N GLU A 17 -4.855 15.496 -7.133 1.00 0.00 N ATOM 209 CA GLU A 17 -3.636 15.470 -7.924 1.00 0.00 C ATOM 210 C GLU A 17 -2.567 14.629 -7.225 1.00 0.00 C ATOM 211 O GLU A 17 -1.481 14.425 -7.765 1.00 0.00 O ATOM 212 CB GLU A 17 -3.129 16.888 -8.195 1.00 0.00 C ATOM 213 CG GLU A 17 -2.745 17.591 -6.891 1.00 0.00 C ATOM 214 CD GLU A 17 -3.161 19.063 -6.920 1.00 0.00 C ATOM 215 OE1 GLU A 17 -2.404 19.855 -7.522 1.00 0.00 O ATOM 216 OE2 GLU A 17 -4.225 19.364 -6.338 1.00 0.00 O ATOM 0 H GLU A 17 -4.995 16.350 -6.592 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.860 15.009 -8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.266 16.849 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.900 17.462 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.223 17.091 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.669 17.516 -6.736 1.00 0.00 H new ATOM 223 N LYS A 18 -2.912 14.163 -6.033 1.00 0.00 N ATOM 224 CA LYS A 18 -1.995 13.349 -5.254 1.00 0.00 C ATOM 225 C LYS A 18 -2.722 12.094 -4.767 1.00 0.00 C ATOM 226 O LYS A 18 -2.221 11.379 -3.901 1.00 0.00 O ATOM 227 CB LYS A 18 -1.371 14.174 -4.127 1.00 0.00 C ATOM 228 CG LYS A 18 -0.844 15.511 -4.653 1.00 0.00 C ATOM 229 CD LYS A 18 -0.147 16.301 -3.543 1.00 0.00 C ATOM 230 CE LYS A 18 0.635 17.483 -4.120 1.00 0.00 C ATOM 231 NZ LYS A 18 0.206 18.748 -3.484 1.00 0.00 N ATOM 0 H LYS A 18 -3.814 14.334 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.162 13.016 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.113 14.352 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.557 13.613 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.146 15.334 -5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.669 16.097 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.887 16.663 -2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.530 15.645 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.703 17.333 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.478 17.539 -5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.746 19.540 -3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.808 18.897 -3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.378 18.697 -2.460 1.00 0.00 H new ATOM 245 N LEU A 19 -3.892 11.865 -5.345 1.00 0.00 N ATOM 246 CA LEU A 19 -4.693 10.709 -4.981 1.00 0.00 C ATOM 247 C LEU A 19 -4.479 9.600 -6.013 1.00 0.00 C ATOM 248 O LEU A 19 -4.910 9.722 -7.159 1.00 0.00 O ATOM 249 CB LEU A 19 -6.159 11.108 -4.802 1.00 0.00 C ATOM 250 CG LEU A 19 -6.583 11.483 -3.380 1.00 0.00 C ATOM 251 CD1 LEU A 19 -7.932 12.205 -3.383 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.593 10.253 -2.469 1.00 0.00 C ATOM 0 H LEU A 19 -4.304 12.461 -6.063 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.374 10.313 -4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.367 11.954 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.784 10.281 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.847 12.178 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.210 12.460 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.856 13.116 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.692 11.554 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.898 10.547 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.295 9.516 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.594 9.819 -2.433 1.00 0.00 H new ATOM 264 N PHE A 20 -3.815 8.543 -5.570 1.00 0.00 N ATOM 265 CA PHE A 20 -3.539 7.413 -6.442 1.00 0.00 C ATOM 266 C PHE A 20 -4.127 6.122 -5.868 1.00 0.00 C ATOM 267 O PHE A 20 -4.130 5.923 -4.655 1.00 0.00 O ATOM 268 CB PHE A 20 -2.017 7.274 -6.525 1.00 0.00 C ATOM 269 CG PHE A 20 -1.356 8.246 -7.504 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.141 9.538 -7.138 1.00 0.00 C ATOM 271 CD2 PHE A 20 -0.983 7.818 -8.740 1.00 0.00 C ATOM 272 CE1 PHE A 20 -0.528 10.440 -8.047 1.00 0.00 C ATOM 273 CE2 PHE A 20 -0.369 8.720 -9.648 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.155 10.012 -9.283 1.00 0.00 C ATOM 0 H PHE A 20 -3.460 8.445 -4.619 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.986 7.580 -7.422 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.594 7.430 -5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.771 6.254 -6.820 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.436 9.878 -6.156 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.154 6.792 -9.031 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.358 11.466 -7.757 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.072 8.380 -10.629 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.311 10.698 -9.974 1.00 0.00 H new ATOM 284 N GLN A 21 -4.610 5.279 -6.769 1.00 0.00 N ATOM 285 CA GLN A 21 -5.199 4.013 -6.368 1.00 0.00 C ATOM 286 C GLN A 21 -4.219 2.866 -6.625 1.00 0.00 C ATOM 287 O GLN A 21 -3.334 2.979 -7.472 1.00 0.00 O ATOM 288 CB GLN A 21 -6.526 3.772 -7.091 1.00 0.00 C ATOM 289 CG GLN A 21 -7.285 2.598 -6.468 1.00 0.00 C ATOM 290 CD GLN A 21 -8.534 2.259 -7.283 1.00 0.00 C ATOM 291 OE1 GLN A 21 -8.539 2.291 -8.503 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.591 1.933 -6.543 1.00 0.00 N ATOM 0 H GLN A 21 -4.605 5.448 -7.775 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.407 4.054 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.139 4.672 -7.043 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.338 3.570 -8.145 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.633 1.726 -6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.570 2.846 -5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.519 1.926 -5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.473 1.690 -6.993 1.00 0.00 H new ATOM 301 N ALA A 22 -4.410 1.788 -5.879 1.00 0.00 N ATOM 302 CA ALA A 22 -3.554 0.622 -6.015 1.00 0.00 C ATOM 303 C ALA A 22 -4.036 -0.223 -7.196 1.00 0.00 C ATOM 304 O ALA A 22 -5.014 -0.960 -7.079 1.00 0.00 O ATOM 305 CB ALA A 22 -3.546 -0.162 -4.702 1.00 0.00 C ATOM 0 H ALA A 22 -5.145 1.698 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.527 0.922 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.904 -1.037 -4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.168 0.474 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.560 -0.482 -4.463 1.00 0.00 H new ATOM 311 N GLU A 23 -3.326 -0.089 -8.307 1.00 0.00 N ATOM 312 CA GLU A 23 -3.669 -0.831 -9.508 1.00 0.00 C ATOM 313 C GLU A 23 -3.920 -2.302 -9.170 1.00 0.00 C ATOM 314 O GLU A 23 -4.968 -2.851 -9.508 1.00 0.00 O ATOM 315 CB GLU A 23 -2.576 -0.692 -10.570 1.00 0.00 C ATOM 316 CG GLU A 23 -2.548 0.726 -11.144 1.00 0.00 C ATOM 317 CD GLU A 23 -3.195 0.770 -12.530 1.00 0.00 C ATOM 318 OE1 GLU A 23 -4.339 0.277 -12.638 1.00 0.00 O ATOM 319 OE2 GLU A 23 -2.531 1.295 -13.450 1.00 0.00 O ATOM 0 H GLU A 23 -2.515 0.522 -8.400 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.586 -0.411 -9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.606 -0.931 -10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.749 -1.410 -11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.073 1.405 -10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.518 1.076 -11.209 1.00 0.00 H new ATOM 326 N ARG A 24 -2.941 -2.899 -8.507 1.00 0.00 N ATOM 327 CA ARG A 24 -3.042 -4.296 -8.119 1.00 0.00 C ATOM 328 C ARG A 24 -2.607 -4.475 -6.663 1.00 0.00 C ATOM 329 O ARG A 24 -2.057 -3.556 -6.058 1.00 0.00 O ATOM 330 CB ARG A 24 -2.174 -5.181 -9.016 1.00 0.00 C ATOM 331 CG ARG A 24 -0.705 -4.759 -8.946 1.00 0.00 C ATOM 332 CD ARG A 24 0.220 -5.943 -9.233 1.00 0.00 C ATOM 333 NE ARG A 24 1.257 -5.549 -10.212 1.00 0.00 N ATOM 334 CZ ARG A 24 1.958 -6.417 -10.955 1.00 0.00 C ATOM 335 NH1 ARG A 24 1.737 -7.733 -10.834 1.00 0.00 N ATOM 336 NH2 ARG A 24 2.880 -5.969 -11.818 1.00 0.00 N ATOM 0 H ARG A 24 -2.073 -2.441 -8.228 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.084 -4.597 -8.230 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.272 -6.222 -8.710 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.526 -5.117 -10.046 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.517 -3.963 -9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.486 -4.353 -7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.690 -6.280 -8.309 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.358 -6.781 -9.621 1.00 0.00 H new ATOM 0 HE ARG A 24 1.451 -4.554 -10.329 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.036 -8.074 -10.177 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.270 -8.394 -11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.049 -4.967 -11.910 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.413 -6.630 -12.383 1.00 0.00 H new ATOM 350 N ASN A 25 -2.871 -5.665 -6.142 1.00 0.00 N ATOM 351 CA ASN A 25 -2.514 -5.976 -4.769 1.00 0.00 C ATOM 352 C ASN A 25 -0.995 -5.892 -4.609 1.00 0.00 C ATOM 353 O ASN A 25 -0.280 -6.843 -4.926 1.00 0.00 O ATOM 354 CB ASN A 25 -2.951 -7.394 -4.394 1.00 0.00 C ATOM 355 CG ASN A 25 -4.320 -7.722 -4.993 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.441 -8.183 -6.116 1.00 0.00 O ATOM 357 ND2 ASN A 25 -5.342 -7.459 -4.183 1.00 0.00 N ATOM 0 H ASN A 25 -3.328 -6.425 -6.647 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.017 -5.259 -4.120 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.213 -8.112 -4.750 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.992 -7.491 -3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.297 -7.643 -4.491 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.171 -7.073 -3.254 1.00 0.00 H new ATOM 364 N PHE A 26 -0.545 -4.747 -4.119 1.00 0.00 N ATOM 365 CA PHE A 26 0.876 -4.526 -3.914 1.00 0.00 C ATOM 366 C PHE A 26 1.392 -5.342 -2.727 1.00 0.00 C ATOM 367 O PHE A 26 0.717 -5.451 -1.704 1.00 0.00 O ATOM 368 CB PHE A 26 1.059 -3.038 -3.613 1.00 0.00 C ATOM 369 CG PHE A 26 2.518 -2.615 -3.429 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.146 -2.835 -2.243 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.187 -2.018 -4.452 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.500 -2.443 -2.072 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.541 -1.626 -4.281 1.00 0.00 C ATOM 374 CZ PHE A 26 5.169 -1.846 -3.095 1.00 0.00 C ATOM 0 H PHE A 26 -1.140 -3.961 -3.858 1.00 0.00 H new ATOM 0 HA PHE A 26 1.432 -4.833 -4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.623 -2.457 -4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.503 -2.790 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.615 -3.308 -1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.689 -1.842 -5.394 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.998 -2.619 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.072 -1.153 -5.093 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.199 -1.547 -2.965 1.00 0.00 H new ATOM 384 N ASN A 27 2.583 -5.895 -2.903 1.00 0.00 N ATOM 385 CA ASN A 27 3.197 -6.698 -1.859 1.00 0.00 C ATOM 386 C ASN A 27 4.493 -6.026 -1.401 1.00 0.00 C ATOM 387 O ASN A 27 5.403 -5.814 -2.201 1.00 0.00 O ATOM 388 CB ASN A 27 3.545 -8.096 -2.372 1.00 0.00 C ATOM 389 CG ASN A 27 3.202 -9.163 -1.330 1.00 0.00 C ATOM 390 OD1 ASN A 27 3.430 -9.004 -0.142 1.00 0.00 O ATOM 391 ND2 ASN A 27 2.644 -10.258 -1.840 1.00 0.00 N ATOM 0 H ASN A 27 3.139 -5.803 -3.753 1.00 0.00 H new ATOM 0 HA ASN A 27 2.486 -6.783 -1.037 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.000 -8.295 -3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.607 -8.145 -2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.380 -11.029 -1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.481 -10.327 -2.844 1.00 0.00 H new ATOM 398 N ALA A 28 4.536 -5.710 -0.115 1.00 0.00 N ATOM 399 CA ALA A 28 5.706 -5.067 0.459 1.00 0.00 C ATOM 400 C ALA A 28 6.951 -5.893 0.127 1.00 0.00 C ATOM 401 O ALA A 28 6.987 -7.096 0.379 1.00 0.00 O ATOM 402 CB ALA A 28 5.506 -4.894 1.966 1.00 0.00 C ATOM 0 H ALA A 28 3.779 -5.887 0.546 1.00 0.00 H new ATOM 0 HA ALA A 28 5.846 -4.074 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.384 -4.412 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.627 -4.276 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.365 -5.871 2.429 1.00 0.00 H new ATOM 408 N ALA A 29 7.941 -5.213 -0.432 1.00 0.00 N ATOM 409 CA ALA A 29 9.184 -5.868 -0.801 1.00 0.00 C ATOM 410 C ALA A 29 10.285 -5.452 0.176 1.00 0.00 C ATOM 411 O ALA A 29 11.048 -6.291 0.651 1.00 0.00 O ATOM 412 CB ALA A 29 9.532 -5.526 -2.251 1.00 0.00 C ATOM 0 H ALA A 29 7.907 -4.215 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 29 9.079 -6.951 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.465 -6.018 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.733 -5.869 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.647 -4.447 -2.353 1.00 0.00 H new ATOM 418 N GLN A 30 10.331 -4.156 0.448 1.00 0.00 N ATOM 419 CA GLN A 30 11.326 -3.618 1.361 1.00 0.00 C ATOM 420 C GLN A 30 10.720 -3.425 2.753 1.00 0.00 C ATOM 421 O GLN A 30 9.563 -3.772 2.983 1.00 0.00 O ATOM 422 CB GLN A 30 11.905 -2.305 0.829 1.00 0.00 C ATOM 423 CG GLN A 30 12.836 -2.559 -0.358 1.00 0.00 C ATOM 424 CD GLN A 30 12.720 -1.439 -1.395 1.00 0.00 C ATOM 425 OE1 GLN A 30 13.660 -0.710 -1.667 1.00 0.00 O ATOM 426 NE2 GLN A 30 11.518 -1.344 -1.956 1.00 0.00 N ATOM 0 H GLN A 30 9.696 -3.463 0.052 1.00 0.00 H new ATOM 0 HA GLN A 30 12.145 -4.334 1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.095 -1.642 0.525 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.452 -1.796 1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.866 -2.631 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.589 -3.515 -0.820 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.775 -1.987 -1.682 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.339 -0.628 -2.660 1.00 0.00 H new ATOM 435 N ASP A 31 11.530 -2.874 3.644 1.00 0.00 N ATOM 436 CA ASP A 31 11.089 -2.632 5.007 1.00 0.00 C ATOM 437 C ASP A 31 10.307 -1.318 5.059 1.00 0.00 C ATOM 438 O ASP A 31 9.609 -1.045 6.035 1.00 0.00 O ATOM 439 CB ASP A 31 12.281 -2.511 5.959 1.00 0.00 C ATOM 440 CG ASP A 31 12.749 -3.828 6.580 1.00 0.00 C ATOM 441 OD1 ASP A 31 13.027 -4.759 5.793 1.00 0.00 O ATOM 442 OD2 ASP A 31 12.818 -3.875 7.827 1.00 0.00 O ATOM 0 H ASP A 31 12.489 -2.588 3.449 1.00 0.00 H new ATOM 0 HA ASP A 31 10.467 -3.472 5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.115 -2.065 5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.017 -1.822 6.761 1.00 0.00 H new ATOM 447 N LEU A 32 10.450 -0.538 3.997 1.00 0.00 N ATOM 448 CA LEU A 32 9.766 0.740 3.910 1.00 0.00 C ATOM 449 C LEU A 32 8.436 0.553 3.177 1.00 0.00 C ATOM 450 O LEU A 32 7.514 1.351 3.341 1.00 0.00 O ATOM 451 CB LEU A 32 10.676 1.793 3.274 1.00 0.00 C ATOM 452 CG LEU A 32 11.931 2.162 4.067 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.802 3.149 3.287 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.566 2.692 5.455 1.00 0.00 C ATOM 0 H LEU A 32 11.030 -0.767 3.190 1.00 0.00 H new ATOM 0 HA LEU A 32 9.531 1.115 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.983 1.433 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.092 2.699 3.113 1.00 0.00 H new ATOM 0 HG LEU A 32 12.521 1.257 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.688 3.395 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.106 2.698 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.234 4.058 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.476 2.947 5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.943 3.581 5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.018 1.926 6.004 1.00 0.00 H new ATOM 466 N ASP A 33 8.378 -0.506 2.383 1.00 0.00 N ATOM 467 CA ASP A 33 7.177 -0.808 1.624 1.00 0.00 C ATOM 468 C ASP A 33 6.078 -1.275 2.581 1.00 0.00 C ATOM 469 O ASP A 33 6.352 -1.600 3.735 1.00 0.00 O ATOM 470 CB ASP A 33 7.431 -1.929 0.613 1.00 0.00 C ATOM 471 CG ASP A 33 8.422 -1.583 -0.500 1.00 0.00 C ATOM 472 OD1 ASP A 33 9.050 -0.508 -0.387 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.530 -2.402 -1.438 1.00 0.00 O ATOM 0 H ASP A 33 9.144 -1.166 2.249 1.00 0.00 H new ATOM 0 HA ASP A 33 6.878 0.096 1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.800 -2.804 1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.481 -2.210 0.159 1.00 0.00 H new ATOM 478 N VAL A 34 4.858 -1.293 2.066 1.00 0.00 N ATOM 479 CA VAL A 34 3.716 -1.715 2.860 1.00 0.00 C ATOM 480 C VAL A 34 2.668 -2.348 1.943 1.00 0.00 C ATOM 481 O VAL A 34 2.372 -1.818 0.874 1.00 0.00 O ATOM 482 CB VAL A 34 3.172 -0.531 3.663 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.311 0.308 4.243 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.238 0.328 2.808 1.00 0.00 C ATOM 0 H VAL A 34 4.635 -1.022 1.108 1.00 0.00 H new ATOM 0 HA VAL A 34 4.013 -2.473 3.584 1.00 0.00 H new ATOM 0 HB VAL A 34 2.592 -0.929 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.897 1.142 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.919 -0.311 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.930 0.691 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.865 1.162 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.784 0.712 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.399 -0.277 2.466 1.00 0.00 H new ATOM 494 N SER A 35 2.135 -3.474 2.395 1.00 0.00 N ATOM 495 CA SER A 35 1.126 -4.185 1.629 1.00 0.00 C ATOM 496 C SER A 35 -0.081 -3.278 1.384 1.00 0.00 C ATOM 497 O SER A 35 -0.496 -2.538 2.275 1.00 0.00 O ATOM 498 CB SER A 35 0.692 -5.465 2.345 1.00 0.00 C ATOM 499 OG SER A 35 0.367 -5.229 3.712 1.00 0.00 O ATOM 0 H SER A 35 2.383 -3.911 3.282 1.00 0.00 H new ATOM 0 HA SER A 35 1.560 -4.467 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.173 -5.890 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.492 -6.203 2.285 1.00 0.00 H new ATOM 0 HG SER A 35 0.093 -6.070 4.133 1.00 0.00 H new ATOM 505 N LEU A 36 -0.611 -3.365 0.173 1.00 0.00 N ATOM 506 CA LEU A 36 -1.762 -2.561 -0.200 1.00 0.00 C ATOM 507 C LEU A 36 -2.716 -3.406 -1.047 1.00 0.00 C ATOM 508 O LEU A 36 -2.287 -4.332 -1.734 1.00 0.00 O ATOM 509 CB LEU A 36 -1.314 -1.268 -0.883 1.00 0.00 C ATOM 510 CG LEU A 36 -0.505 -0.299 -0.020 1.00 0.00 C ATOM 511 CD1 LEU A 36 -0.089 0.935 -0.823 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.271 0.076 1.250 1.00 0.00 C ATOM 0 H LEU A 36 -0.264 -3.980 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.313 -2.250 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.717 -1.530 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.200 -0.747 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 36 0.409 -0.803 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.485 1.608 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.523 0.628 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.979 1.450 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.673 0.766 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.213 0.553 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.474 -0.823 1.832 1.00 0.00 H new ATOM 524 N LEU A 37 -3.992 -3.057 -0.971 1.00 0.00 N ATOM 525 CA LEU A 37 -5.010 -3.772 -1.722 1.00 0.00 C ATOM 526 C LEU A 37 -5.331 -2.997 -3.002 1.00 0.00 C ATOM 527 O LEU A 37 -5.375 -1.768 -2.993 1.00 0.00 O ATOM 528 CB LEU A 37 -6.233 -4.042 -0.843 1.00 0.00 C ATOM 529 CG LEU A 37 -6.118 -5.225 0.121 1.00 0.00 C ATOM 530 CD1 LEU A 37 -7.419 -5.425 0.900 1.00 0.00 C ATOM 531 CD2 LEU A 37 -5.691 -6.495 -0.618 1.00 0.00 C ATOM 0 H LEU A 37 -4.344 -2.288 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.642 -4.752 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.443 -3.144 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.092 -4.210 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.339 -4.999 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.311 -6.272 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.641 -4.526 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.234 -5.620 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.617 -7.320 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.430 -6.737 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.722 -6.333 -1.089 1.00 0.00 H new ATOM 543 N GLU A 38 -5.547 -3.748 -4.071 1.00 0.00 N ATOM 544 CA GLU A 38 -5.863 -3.148 -5.356 1.00 0.00 C ATOM 545 C GLU A 38 -6.987 -2.121 -5.200 1.00 0.00 C ATOM 546 O GLU A 38 -7.146 -1.237 -6.041 1.00 0.00 O ATOM 547 CB GLU A 38 -6.236 -4.217 -6.385 1.00 0.00 C ATOM 548 CG GLU A 38 -7.243 -5.211 -5.801 1.00 0.00 C ATOM 549 CD GLU A 38 -7.869 -6.067 -6.904 1.00 0.00 C ATOM 550 OE1 GLU A 38 -7.085 -6.679 -7.661 1.00 0.00 O ATOM 551 OE2 GLU A 38 -9.117 -6.091 -6.964 1.00 0.00 O ATOM 0 H GLU A 38 -5.509 -4.767 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.975 -2.633 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.659 -3.743 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.339 -4.748 -6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.746 -5.854 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.025 -4.671 -5.267 1.00 0.00 H new ATOM 558 N GLY A 39 -7.737 -2.272 -4.119 1.00 0.00 N ATOM 559 CA GLY A 39 -8.841 -1.369 -3.842 1.00 0.00 C ATOM 560 C GLY A 39 -8.407 -0.245 -2.899 1.00 0.00 C ATOM 561 O GLY A 39 -9.009 0.827 -2.887 1.00 0.00 O ATOM 0 H GLY A 39 -7.602 -3.006 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.210 -0.943 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.666 -1.924 -3.396 1.00 0.00 H new ATOM 565 N ASP A 40 -7.366 -0.530 -2.131 1.00 0.00 N ATOM 566 CA ASP A 40 -6.844 0.444 -1.186 1.00 0.00 C ATOM 567 C ASP A 40 -6.409 1.700 -1.943 1.00 0.00 C ATOM 568 O ASP A 40 -5.842 1.608 -3.031 1.00 0.00 O ATOM 569 CB ASP A 40 -5.625 -0.107 -0.444 1.00 0.00 C ATOM 570 CG ASP A 40 -5.947 -1.031 0.732 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.125 -1.028 1.150 1.00 0.00 O ATOM 572 OD2 ASP A 40 -5.008 -1.719 1.188 1.00 0.00 O ATOM 0 H ASP A 40 -6.870 -1.421 -2.143 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.631 0.672 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.002 -0.651 -1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.033 0.731 -0.077 1.00 0.00 H new ATOM 577 N LEU A 41 -6.691 2.844 -1.338 1.00 0.00 N ATOM 578 CA LEU A 41 -6.336 4.117 -1.942 1.00 0.00 C ATOM 579 C LEU A 41 -5.207 4.762 -1.134 1.00 0.00 C ATOM 580 O LEU A 41 -5.173 4.650 0.090 1.00 0.00 O ATOM 581 CB LEU A 41 -7.573 5.005 -2.087 1.00 0.00 C ATOM 582 CG LEU A 41 -7.476 6.126 -3.124 1.00 0.00 C ATOM 583 CD1 LEU A 41 -7.221 5.560 -4.522 1.00 0.00 C ATOM 584 CD2 LEU A 41 -8.718 7.019 -3.085 1.00 0.00 C ATOM 0 H LEU A 41 -7.161 2.916 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.960 3.967 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.422 4.372 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.791 5.452 -1.117 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.621 6.752 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.156 6.378 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.285 5.001 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.040 4.897 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.623 7.807 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.603 6.421 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.814 7.466 -2.096 1.00 0.00 H new ATOM 596 N VAL A 42 -4.312 5.424 -1.853 1.00 0.00 N ATOM 597 CA VAL A 42 -3.185 6.087 -1.219 1.00 0.00 C ATOM 598 C VAL A 42 -3.097 7.528 -1.724 1.00 0.00 C ATOM 599 O VAL A 42 -3.624 7.850 -2.788 1.00 0.00 O ATOM 600 CB VAL A 42 -1.903 5.288 -1.463 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.068 3.836 -1.012 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.482 5.363 -2.932 1.00 0.00 C ATOM 0 H VAL A 42 -4.345 5.515 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.325 6.129 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.110 5.736 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.143 3.290 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.299 3.810 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.881 3.372 -1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.568 4.787 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.274 4.953 -3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.303 6.403 -3.207 1.00 0.00 H new ATOM 612 N GLY A 43 -2.427 8.357 -0.937 1.00 0.00 N ATOM 613 CA GLY A 43 -2.263 9.757 -1.291 1.00 0.00 C ATOM 614 C GLY A 43 -0.782 10.130 -1.382 1.00 0.00 C ATOM 615 O GLY A 43 -0.127 10.339 -0.363 1.00 0.00 O ATOM 0 H GLY A 43 -1.991 8.086 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.751 9.954 -2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.754 10.384 -0.547 1.00 0.00 H new ATOM 619 N VAL A 44 -0.298 10.201 -2.614 1.00 0.00 N ATOM 620 CA VAL A 44 1.094 10.545 -2.852 1.00 0.00 C ATOM 621 C VAL A 44 1.507 11.668 -1.899 1.00 0.00 C ATOM 622 O VAL A 44 0.794 12.660 -1.757 1.00 0.00 O ATOM 623 CB VAL A 44 1.299 10.904 -4.325 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.565 11.743 -4.513 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.341 9.646 -5.195 1.00 0.00 C ATOM 0 H VAL A 44 -0.845 10.026 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 44 1.740 9.691 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 44 0.448 11.505 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.688 11.985 -5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.480 12.665 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.431 11.178 -4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.488 9.929 -6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.164 9.008 -4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.401 9.103 -5.095 1.00 0.00 H new ATOM 635 N ILE A 45 2.658 11.475 -1.271 1.00 0.00 N ATOM 636 CA ILE A 45 3.175 12.459 -0.336 1.00 0.00 C ATOM 637 C ILE A 45 4.414 13.125 -0.937 1.00 0.00 C ATOM 638 O ILE A 45 4.472 14.349 -1.052 1.00 0.00 O ATOM 639 CB ILE A 45 3.422 11.821 1.032 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.107 11.610 1.784 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.423 12.642 1.847 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.285 10.613 2.931 1.00 0.00 C ATOM 0 H ILE A 45 3.247 10.651 -1.392 1.00 0.00 H new ATOM 0 HA ILE A 45 2.440 13.246 -0.166 1.00 0.00 H new ATOM 0 HB ILE A 45 3.864 10.837 0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.752 12.563 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.345 11.245 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.581 12.167 2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.370 12.697 1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.032 13.648 1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.335 10.481 3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.617 9.655 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.030 10.992 3.630 1.00 0.00 H new ATOM 654 N LYS A 46 5.376 12.291 -1.304 1.00 0.00 N ATOM 655 CA LYS A 46 6.611 12.784 -1.890 1.00 0.00 C ATOM 656 C LYS A 46 6.850 12.082 -3.229 1.00 0.00 C ATOM 657 O LYS A 46 6.735 10.861 -3.324 1.00 0.00 O ATOM 658 CB LYS A 46 7.769 12.635 -0.902 1.00 0.00 C ATOM 659 CG LYS A 46 8.169 13.992 -0.318 1.00 0.00 C ATOM 660 CD LYS A 46 7.169 14.445 0.748 1.00 0.00 C ATOM 661 CE LYS A 46 7.361 15.925 1.085 1.00 0.00 C ATOM 662 NZ LYS A 46 7.627 16.097 2.531 1.00 0.00 N ATOM 0 H LYS A 46 5.325 11.277 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 46 6.535 13.851 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.480 11.959 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.625 12.185 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.166 13.925 0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.219 14.735 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.152 14.278 0.392 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.294 13.844 1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.190 16.331 0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.470 16.487 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.755 17.107 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.823 15.728 3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.490 15.577 2.789 1.00 0.00 H new ATOM 676 N LYS A 47 7.180 12.885 -4.231 1.00 0.00 N ATOM 677 CA LYS A 47 7.436 12.356 -5.560 1.00 0.00 C ATOM 678 C LYS A 47 8.934 12.087 -5.716 1.00 0.00 C ATOM 679 O LYS A 47 9.482 12.221 -6.809 1.00 0.00 O ATOM 680 CB LYS A 47 6.865 13.291 -6.628 1.00 0.00 C ATOM 681 CG LYS A 47 5.336 13.240 -6.639 1.00 0.00 C ATOM 682 CD LYS A 47 4.772 13.970 -7.860 1.00 0.00 C ATOM 683 CE LYS A 47 3.324 13.555 -8.127 1.00 0.00 C ATOM 684 NZ LYS A 47 2.491 13.777 -6.925 1.00 0.00 N ATOM 0 H LYS A 47 7.276 13.897 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 47 6.924 11.404 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.197 14.312 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.249 13.008 -7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.003 12.202 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.947 13.694 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.822 15.047 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.384 13.750 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.924 14.127 -8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.288 12.504 -8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.837 12.977 -6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.103 13.854 -6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.946 14.656 -7.038 1.00 0.00 H new ATOM 698 N LYS A 48 9.555 11.712 -4.607 1.00 0.00 N ATOM 699 CA LYS A 48 10.978 11.422 -4.607 1.00 0.00 C ATOM 700 C LYS A 48 11.392 10.916 -3.223 1.00 0.00 C ATOM 701 O LYS A 48 11.043 11.518 -2.209 1.00 0.00 O ATOM 702 CB LYS A 48 11.773 12.642 -5.078 1.00 0.00 C ATOM 703 CG LYS A 48 13.259 12.488 -4.749 1.00 0.00 C ATOM 704 CD LYS A 48 14.117 12.627 -6.008 1.00 0.00 C ATOM 705 CE LYS A 48 14.748 14.018 -6.092 1.00 0.00 C ATOM 706 NZ LYS A 48 15.781 14.056 -7.151 1.00 0.00 N ATOM 0 H LYS A 48 9.098 11.602 -3.702 1.00 0.00 H new ATOM 0 HA LYS A 48 11.204 10.628 -5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.646 12.770 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.383 13.541 -4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.553 13.242 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.435 11.515 -4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.900 11.869 -6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.504 12.448 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.978 14.761 -6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.193 14.280 -5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.199 15.007 -7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.524 13.361 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.347 13.827 -8.068 1.00 0.00 H new ATOM 720 N ASP A 49 12.129 9.815 -3.227 1.00 0.00 N ATOM 721 CA ASP A 49 12.593 9.222 -1.985 1.00 0.00 C ATOM 722 C ASP A 49 13.994 9.747 -1.666 1.00 0.00 C ATOM 723 O ASP A 49 14.706 10.207 -2.557 1.00 0.00 O ATOM 724 CB ASP A 49 12.674 7.698 -2.099 1.00 0.00 C ATOM 725 CG ASP A 49 13.836 7.174 -2.944 1.00 0.00 C ATOM 726 OD1 ASP A 49 14.497 8.018 -3.587 1.00 0.00 O ATOM 727 OD2 ASP A 49 14.038 5.940 -2.928 1.00 0.00 O ATOM 0 H ASP A 49 12.416 9.318 -4.070 1.00 0.00 H new ATOM 0 HA ASP A 49 11.886 9.488 -1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.755 7.278 -1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.740 7.330 -2.525 1.00 0.00 H new ATOM 732 N PRO A 50 14.358 9.658 -0.359 1.00 0.00 N ATOM 733 CA PRO A 50 15.662 10.119 0.089 1.00 0.00 C ATOM 734 C PRO A 50 16.760 9.135 -0.320 1.00 0.00 C ATOM 735 O PRO A 50 17.566 8.719 0.512 1.00 0.00 O ATOM 736 CB PRO A 50 15.530 10.270 1.595 1.00 0.00 C ATOM 737 CG PRO A 50 14.313 9.450 1.992 1.00 0.00 C ATOM 738 CD PRO A 50 13.541 9.119 0.725 1.00 0.00 C ATOM 0 HA PRO A 50 15.954 11.065 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.425 9.911 2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.403 11.316 1.873 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.618 8.537 2.503 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.686 10.009 2.686 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.400 8.044 0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.549 9.571 0.736 1.00 0.00 H new ATOM 746 N MET A 51 16.758 8.793 -1.600 1.00 0.00 N ATOM 747 CA MET A 51 17.744 7.866 -2.128 1.00 0.00 C ATOM 748 C MET A 51 18.356 8.398 -3.426 1.00 0.00 C ATOM 749 O MET A 51 19.571 8.347 -3.610 1.00 0.00 O ATOM 750 CB MET A 51 17.083 6.512 -2.392 1.00 0.00 C ATOM 751 CG MET A 51 16.716 5.816 -1.080 1.00 0.00 C ATOM 752 SD MET A 51 15.253 6.564 -0.381 1.00 0.00 S ATOM 753 CE MET A 51 15.437 6.069 1.324 1.00 0.00 C ATOM 0 H MET A 51 16.089 9.141 -2.287 1.00 0.00 H new ATOM 0 HA MET A 51 18.540 7.753 -1.392 1.00 0.00 H new ATOM 0 HB2 MET A 51 16.187 6.652 -2.996 1.00 0.00 H new ATOM 0 HB3 MET A 51 17.759 5.879 -2.967 1.00 0.00 H new ATOM 0 HG2 MET A 51 16.542 4.755 -1.258 1.00 0.00 H new ATOM 0 HG3 MET A 51 17.544 5.890 -0.375 1.00 0.00 H new ATOM 0 HE1 MET A 51 14.516 6.282 1.866 1.00 0.00 H new ATOM 0 HE2 MET A 51 15.647 5.001 1.372 1.00 0.00 H new ATOM 0 HE3 MET A 51 16.261 6.621 1.776 1.00 0.00 H new ATOM 763 N GLY A 52 17.486 8.896 -4.292 1.00 0.00 N ATOM 764 CA GLY A 52 17.925 9.437 -5.567 1.00 0.00 C ATOM 765 C GLY A 52 17.267 8.695 -6.733 1.00 0.00 C ATOM 766 O GLY A 52 17.944 8.288 -7.676 1.00 0.00 O ATOM 0 H GLY A 52 16.479 8.936 -4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.678 10.497 -5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 52 19.009 9.357 -5.646 1.00 0.00 H new ATOM 770 N SER A 53 15.955 8.541 -6.629 1.00 0.00 N ATOM 771 CA SER A 53 15.198 7.855 -7.663 1.00 0.00 C ATOM 772 C SER A 53 13.717 8.225 -7.559 1.00 0.00 C ATOM 773 O SER A 53 13.118 8.107 -6.492 1.00 0.00 O ATOM 774 CB SER A 53 15.376 6.339 -7.561 1.00 0.00 C ATOM 775 OG SER A 53 15.949 5.788 -8.744 1.00 0.00 O ATOM 0 H SER A 53 15.397 8.879 -5.845 1.00 0.00 H new ATOM 0 HA SER A 53 15.578 8.173 -8.634 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.012 6.105 -6.707 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.409 5.872 -7.375 1.00 0.00 H new ATOM 0 HG SER A 53 16.048 4.819 -8.639 1.00 0.00 H new ATOM 781 N GLN A 54 13.170 8.664 -8.683 1.00 0.00 N ATOM 782 CA GLN A 54 11.770 9.051 -8.732 1.00 0.00 C ATOM 783 C GLN A 54 10.892 7.832 -9.019 1.00 0.00 C ATOM 784 O GLN A 54 9.667 7.937 -9.046 1.00 0.00 O ATOM 785 CB GLN A 54 11.541 10.149 -9.772 1.00 0.00 C ATOM 786 CG GLN A 54 11.310 9.550 -11.161 1.00 0.00 C ATOM 787 CD GLN A 54 12.566 8.837 -11.666 1.00 0.00 C ATOM 788 OE1 GLN A 54 13.543 9.451 -12.061 1.00 0.00 O ATOM 789 NE2 GLN A 54 12.485 7.510 -11.632 1.00 0.00 N ATOM 0 H GLN A 54 13.671 8.760 -9.566 1.00 0.00 H new ATOM 0 HA GLN A 54 11.490 9.454 -7.759 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.680 10.753 -9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.403 10.815 -9.798 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.478 8.847 -11.124 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.030 10.339 -11.859 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.637 7.059 -11.289 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.271 6.943 -11.949 1.00 0.00 H new ATOM 798 N ASN A 55 11.552 6.702 -9.227 1.00 0.00 N ATOM 799 CA ASN A 55 10.847 5.464 -9.511 1.00 0.00 C ATOM 800 C ASN A 55 9.988 5.083 -8.304 1.00 0.00 C ATOM 801 O ASN A 55 8.915 4.502 -8.460 1.00 0.00 O ATOM 802 CB ASN A 55 11.827 4.320 -9.775 1.00 0.00 C ATOM 803 CG ASN A 55 11.677 3.786 -11.201 1.00 0.00 C ATOM 804 OD1 ASN A 55 10.589 3.502 -11.674 1.00 0.00 O ATOM 805 ND2 ASN A 55 12.828 3.666 -11.857 1.00 0.00 N ATOM 0 H ASN A 55 12.568 6.618 -9.204 1.00 0.00 H new ATOM 0 HA ASN A 55 10.231 5.622 -10.396 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.848 4.668 -9.619 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.652 3.515 -9.061 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.835 3.318 -12.816 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.704 3.922 -11.401 1.00 0.00 H new ATOM 812 N ARG A 56 10.493 5.425 -7.127 1.00 0.00 N ATOM 813 CA ARG A 56 9.785 5.125 -5.894 1.00 0.00 C ATOM 814 C ARG A 56 9.294 6.417 -5.237 1.00 0.00 C ATOM 815 O ARG A 56 10.061 7.364 -5.071 1.00 0.00 O ATOM 816 CB ARG A 56 10.684 4.372 -4.912 1.00 0.00 C ATOM 817 CG ARG A 56 9.862 3.748 -3.783 1.00 0.00 C ATOM 818 CD ARG A 56 10.635 2.617 -3.101 1.00 0.00 C ATOM 819 NE ARG A 56 11.537 3.172 -2.068 1.00 0.00 N ATOM 820 CZ ARG A 56 12.786 3.593 -2.308 1.00 0.00 C ATOM 821 NH1 ARG A 56 13.289 3.525 -3.549 1.00 0.00 N ATOM 822 NH2 ARG A 56 13.532 4.083 -1.309 1.00 0.00 N ATOM 0 H ARG A 56 11.383 5.907 -7.002 1.00 0.00 H new ATOM 0 HA ARG A 56 8.933 4.494 -6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.233 3.593 -5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.423 5.055 -4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.607 4.512 -3.049 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.924 3.363 -4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.939 1.912 -2.647 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.213 2.063 -3.841 1.00 0.00 H new ATOM 0 HE ARG A 56 11.186 3.238 -1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.721 3.153 -4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.240 3.845 -3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.149 4.136 -0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.483 4.403 -1.492 1.00 0.00 H new ATOM 836 N TRP A 57 8.018 6.414 -4.880 1.00 0.00 N ATOM 837 CA TRP A 57 7.416 7.573 -4.245 1.00 0.00 C ATOM 838 C TRP A 57 6.907 7.146 -2.867 1.00 0.00 C ATOM 839 O TRP A 57 6.814 5.954 -2.577 1.00 0.00 O ATOM 840 CB TRP A 57 6.319 8.174 -5.127 1.00 0.00 C ATOM 841 CG TRP A 57 6.848 8.956 -6.331 1.00 0.00 C ATOM 842 CD1 TRP A 57 8.115 9.299 -6.600 1.00 0.00 C ATOM 843 CD2 TRP A 57 6.068 9.481 -7.426 1.00 0.00 C ATOM 844 NE1 TRP A 57 8.208 10.004 -7.783 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.924 10.118 -8.301 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.684 9.419 -7.668 1.00 0.00 C ATOM 847 CZ2 TRP A 57 6.492 10.742 -9.477 1.00 0.00 C ATOM 848 CZ3 TRP A 57 4.269 10.048 -8.848 1.00 0.00 C ATOM 849 CH2 TRP A 57 5.118 10.694 -9.739 1.00 0.00 C ATOM 0 H TRP A 57 7.385 5.627 -5.019 1.00 0.00 H new ATOM 0 HA TRP A 57 8.152 8.366 -4.114 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.673 7.372 -5.483 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.701 8.835 -4.520 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.958 9.055 -5.970 1.00 0.00 H new ATOM 0 HE1 TRP A 57 9.062 10.373 -8.200 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.996 8.926 -6.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 7.182 11.234 -10.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 3.215 10.030 -9.082 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.719 11.157 -10.630 1.00 0.00 H new ATOM 860 N LEU A 58 6.591 8.143 -2.053 1.00 0.00 N ATOM 861 CA LEU A 58 6.094 7.885 -0.712 1.00 0.00 C ATOM 862 C LEU A 58 4.601 8.215 -0.654 1.00 0.00 C ATOM 863 O LEU A 58 4.204 9.355 -0.889 1.00 0.00 O ATOM 864 CB LEU A 58 6.931 8.639 0.324 1.00 0.00 C ATOM 865 CG LEU A 58 6.454 8.537 1.774 1.00 0.00 C ATOM 866 CD1 LEU A 58 6.654 7.122 2.319 1.00 0.00 C ATOM 867 CD2 LEU A 58 7.135 9.591 2.650 1.00 0.00 C ATOM 0 H LEU A 58 6.669 9.130 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 58 6.198 6.829 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.955 8.270 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.957 9.692 0.044 1.00 0.00 H new ATOM 0 HG LEU A 58 5.384 8.742 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.307 7.077 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.086 6.415 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.712 6.864 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.779 9.497 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.214 9.442 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.898 10.586 2.273 1.00 0.00 H new ATOM 879 N ILE A 59 3.815 7.196 -0.339 1.00 0.00 N ATOM 880 CA ILE A 59 2.374 7.363 -0.247 1.00 0.00 C ATOM 881 C ILE A 59 1.917 7.040 1.177 1.00 0.00 C ATOM 882 O ILE A 59 2.669 6.457 1.956 1.00 0.00 O ATOM 883 CB ILE A 59 1.669 6.534 -1.323 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.906 5.039 -1.105 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.088 6.984 -2.724 1.00 0.00 C ATOM 886 CD1 ILE A 59 1.187 4.547 0.152 1.00 0.00 C ATOM 0 H ILE A 59 4.148 6.252 -0.144 1.00 0.00 H new ATOM 0 HA ILE A 59 2.097 8.399 -0.443 1.00 0.00 H new ATOM 0 HB ILE A 59 0.596 6.705 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.553 4.481 -1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.975 4.846 -1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.573 6.379 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.825 8.033 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.165 6.862 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.372 3.481 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.560 5.090 1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.116 4.719 0.049 1.00 0.00 H new ATOM 898 N ASP A 60 0.687 7.432 1.473 1.00 0.00 N ATOM 899 CA ASP A 60 0.121 7.192 2.789 1.00 0.00 C ATOM 900 C ASP A 60 -1.060 6.227 2.663 1.00 0.00 C ATOM 901 O ASP A 60 -2.011 6.496 1.931 1.00 0.00 O ATOM 902 CB ASP A 60 -0.394 8.490 3.413 1.00 0.00 C ATOM 903 CG ASP A 60 -0.083 8.660 4.902 1.00 0.00 C ATOM 904 OD1 ASP A 60 1.114 8.551 5.247 1.00 0.00 O ATOM 905 OD2 ASP A 60 -1.048 8.895 5.660 1.00 0.00 O ATOM 0 H ASP A 60 0.066 7.915 0.823 1.00 0.00 H new ATOM 0 HA ASP A 60 0.904 6.774 3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.035 9.332 2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.474 8.538 3.275 1.00 0.00 H new ATOM 910 N ASN A 61 -0.961 5.122 3.388 1.00 0.00 N ATOM 911 CA ASN A 61 -2.009 4.116 3.367 1.00 0.00 C ATOM 912 C ASN A 61 -2.988 4.382 4.512 1.00 0.00 C ATOM 913 O ASN A 61 -3.499 3.446 5.126 1.00 0.00 O ATOM 914 CB ASN A 61 -1.429 2.713 3.556 1.00 0.00 C ATOM 915 CG ASN A 61 -0.673 2.606 4.882 1.00 0.00 C ATOM 916 OD1 ASN A 61 -0.084 3.557 5.369 1.00 0.00 O ATOM 917 ND2 ASN A 61 -0.722 1.399 5.437 1.00 0.00 N ATOM 0 H ASN A 61 -0.171 4.902 3.994 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.511 4.171 2.401 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.233 1.977 3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.757 2.479 2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.248 1.226 6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.233 0.646 4.976 1.00 0.00 H new ATOM 924 N GLY A 62 -3.220 5.662 4.765 1.00 0.00 N ATOM 925 CA GLY A 62 -4.129 6.062 5.826 1.00 0.00 C ATOM 926 C GLY A 62 -3.818 5.316 7.125 1.00 0.00 C ATOM 927 O GLY A 62 -4.703 5.112 7.955 1.00 0.00 O ATOM 0 H GLY A 62 -2.794 6.435 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.050 7.136 5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.157 5.861 5.524 1.00 0.00 H new ATOM 931 N VAL A 63 -2.558 4.929 7.261 1.00 0.00 N ATOM 932 CA VAL A 63 -2.120 4.210 8.445 1.00 0.00 C ATOM 933 C VAL A 63 -0.661 4.566 8.741 1.00 0.00 C ATOM 934 O VAL A 63 -0.321 4.916 9.871 1.00 0.00 O ATOM 935 CB VAL A 63 -2.342 2.708 8.257 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.766 1.918 9.434 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.827 2.394 8.061 1.00 0.00 C ATOM 0 H VAL A 63 -1.827 5.100 6.571 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.710 4.506 9.312 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.812 2.401 7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.937 0.853 9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.695 2.106 9.509 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.255 2.231 10.356 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.958 1.320 7.930 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.387 2.723 8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.196 2.915 7.177 1.00 0.00 H new ATOM 947 N THR A 64 0.161 4.464 7.708 1.00 0.00 N ATOM 948 CA THR A 64 1.575 4.771 7.843 1.00 0.00 C ATOM 949 C THR A 64 2.142 5.271 6.513 1.00 0.00 C ATOM 950 O THR A 64 1.390 5.573 5.588 1.00 0.00 O ATOM 951 CB THR A 64 2.281 3.521 8.374 1.00 0.00 C ATOM 952 OG1 THR A 64 3.604 3.966 8.661 1.00 0.00 O ATOM 953 CG2 THR A 64 2.472 2.454 7.295 1.00 0.00 C ATOM 0 H THR A 64 -0.125 4.173 6.773 1.00 0.00 H new ATOM 0 HA THR A 64 1.738 5.581 8.554 1.00 0.00 H new ATOM 0 HB THR A 64 1.706 3.102 9.200 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.132 3.219 9.012 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.977 1.589 7.724 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.500 2.151 6.907 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.075 2.861 6.484 1.00 0.00 H new ATOM 961 N LYS A 65 3.464 5.342 6.460 1.00 0.00 N ATOM 962 CA LYS A 65 4.141 5.800 5.259 1.00 0.00 C ATOM 963 C LYS A 65 4.859 4.619 4.601 1.00 0.00 C ATOM 964 O LYS A 65 5.719 3.991 5.216 1.00 0.00 O ATOM 965 CB LYS A 65 5.062 6.979 5.579 1.00 0.00 C ATOM 966 CG LYS A 65 4.297 8.303 5.524 1.00 0.00 C ATOM 967 CD LYS A 65 5.098 9.426 6.185 1.00 0.00 C ATOM 968 CE LYS A 65 4.455 10.789 5.918 1.00 0.00 C ATOM 969 NZ LYS A 65 4.651 11.690 7.075 1.00 0.00 N ATOM 0 H LYS A 65 4.084 5.090 7.230 1.00 0.00 H new ATOM 0 HA LYS A 65 3.419 6.178 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.497 6.847 6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.889 7.003 4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.087 8.563 4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.336 8.193 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.157 9.252 7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.120 9.421 5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.892 11.235 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.390 10.663 5.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.209 12.610 6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.214 11.270 7.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.669 11.824 7.242 1.00 0.00 H new ATOM 983 N GLY A 66 4.479 4.353 3.360 1.00 0.00 N ATOM 984 CA GLY A 66 5.076 3.259 2.613 1.00 0.00 C ATOM 985 C GLY A 66 5.592 3.740 1.255 1.00 0.00 C ATOM 986 O GLY A 66 5.035 4.666 0.668 1.00 0.00 O ATOM 0 H GLY A 66 3.765 4.876 2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.897 2.828 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.339 2.469 2.467 1.00 0.00 H new ATOM 990 N PHE A 67 6.651 3.089 0.797 1.00 0.00 N ATOM 991 CA PHE A 67 7.249 3.439 -0.481 1.00 0.00 C ATOM 992 C PHE A 67 6.905 2.399 -1.550 1.00 0.00 C ATOM 993 O PHE A 67 7.137 1.206 -1.358 1.00 0.00 O ATOM 994 CB PHE A 67 8.765 3.459 -0.275 1.00 0.00 C ATOM 995 CG PHE A 67 9.283 4.726 0.408 1.00 0.00 C ATOM 996 CD1 PHE A 67 9.159 4.872 1.755 1.00 0.00 C ATOM 997 CD2 PHE A 67 9.868 5.706 -0.331 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.640 6.048 2.388 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.349 6.882 0.303 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.225 7.029 1.649 1.00 0.00 C ATOM 0 H PHE A 67 7.110 2.322 1.287 1.00 0.00 H new ATOM 0 HA PHE A 67 6.871 4.405 -0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.052 2.593 0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.254 3.354 -1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.695 4.094 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.967 5.590 -1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.541 6.164 3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.814 7.660 -0.284 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.591 7.924 2.131 1.00 0.00 H new ATOM 1010 N VAL A 68 6.358 2.889 -2.652 1.00 0.00 N ATOM 1011 CA VAL A 68 5.980 2.018 -3.751 1.00 0.00 C ATOM 1012 C VAL A 68 6.279 2.718 -5.078 1.00 0.00 C ATOM 1013 O VAL A 68 6.547 3.919 -5.104 1.00 0.00 O ATOM 1014 CB VAL A 68 4.513 1.605 -3.611 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.314 0.690 -2.401 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.604 2.832 -3.526 1.00 0.00 C ATOM 0 H VAL A 68 6.167 3.879 -2.807 1.00 0.00 H new ATOM 0 HA VAL A 68 6.567 1.100 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 68 4.236 1.044 -4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.263 0.411 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.920 -0.208 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.617 1.214 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.567 2.511 -3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.882 3.432 -2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.714 3.430 -4.431 1.00 0.00 H new ATOM 1026 N TYR A 69 6.224 1.939 -6.148 1.00 0.00 N ATOM 1027 CA TYR A 69 6.486 2.469 -7.475 1.00 0.00 C ATOM 1028 C TYR A 69 5.192 2.934 -8.145 1.00 0.00 C ATOM 1029 O TYR A 69 4.208 2.197 -8.181 1.00 0.00 O ATOM 1030 CB TYR A 69 7.078 1.312 -8.283 1.00 0.00 C ATOM 1031 CG TYR A 69 8.258 0.617 -7.601 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.330 1.360 -7.151 1.00 0.00 C ATOM 1033 CD2 TYR A 69 8.251 -0.753 -7.436 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.441 0.706 -6.509 1.00 0.00 C ATOM 1035 CE2 TYR A 69 9.362 -1.407 -6.795 1.00 0.00 C ATOM 1036 CZ TYR A 69 10.402 -0.646 -6.363 1.00 0.00 C ATOM 1037 OH TYR A 69 11.451 -1.263 -5.757 1.00 0.00 O ATOM 0 H TYR A 69 6.002 0.944 -6.123 1.00 0.00 H new ATOM 0 HA TYR A 69 7.157 3.326 -7.420 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.296 0.577 -8.472 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.402 1.688 -9.253 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.336 2.432 -7.280 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.412 -1.335 -7.788 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.286 1.276 -6.152 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.369 -2.479 -6.660 1.00 0.00 H new ATOM 0 HH TYR A 69 11.286 -2.228 -5.721 1.00 0.00 H new ATOM 1047 N SER A 70 5.235 4.154 -8.660 1.00 0.00 N ATOM 1048 CA SER A 70 4.077 4.726 -9.327 1.00 0.00 C ATOM 1049 C SER A 70 3.438 3.686 -10.249 1.00 0.00 C ATOM 1050 O SER A 70 2.240 3.744 -10.520 1.00 0.00 O ATOM 1051 CB SER A 70 4.462 5.976 -10.121 1.00 0.00 C ATOM 1052 OG SER A 70 5.589 5.748 -10.962 1.00 0.00 O ATOM 0 H SER A 70 6.053 4.762 -8.629 1.00 0.00 H new ATOM 0 HA SER A 70 3.354 5.020 -8.567 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.615 6.295 -10.728 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.684 6.790 -9.431 1.00 0.00 H new ATOM 0 HG SER A 70 5.802 6.569 -11.453 1.00 0.00 H new ATOM 1058 N SER A 71 4.267 2.759 -10.707 1.00 0.00 N ATOM 1059 CA SER A 71 3.798 1.708 -11.594 1.00 0.00 C ATOM 1060 C SER A 71 2.629 0.961 -10.947 1.00 0.00 C ATOM 1061 O SER A 71 1.595 0.753 -11.580 1.00 0.00 O ATOM 1062 CB SER A 71 4.926 0.733 -11.937 1.00 0.00 C ATOM 1063 OG SER A 71 5.200 0.705 -13.335 1.00 0.00 O ATOM 0 H SER A 71 5.260 2.714 -10.480 1.00 0.00 H new ATOM 0 HA SER A 71 3.458 2.169 -12.521 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.829 1.018 -11.396 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.655 -0.268 -11.600 1.00 0.00 H new ATOM 0 HG SER A 71 5.927 0.072 -13.513 1.00 0.00 H new ATOM 1069 N PHE A 72 2.833 0.578 -9.695 1.00 0.00 N ATOM 1070 CA PHE A 72 1.809 -0.141 -8.957 1.00 0.00 C ATOM 1071 C PHE A 72 0.660 0.790 -8.565 1.00 0.00 C ATOM 1072 O PHE A 72 -0.386 0.332 -8.108 1.00 0.00 O ATOM 1073 CB PHE A 72 2.470 -0.679 -7.686 1.00 0.00 C ATOM 1074 CG PHE A 72 3.273 -1.963 -7.897 1.00 0.00 C ATOM 1075 CD1 PHE A 72 2.628 -3.144 -8.099 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.633 -1.925 -7.884 1.00 0.00 C ATOM 1077 CE1 PHE A 72 3.374 -4.336 -8.296 1.00 0.00 C ATOM 1078 CE2 PHE A 72 5.379 -3.117 -8.080 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.734 -4.297 -8.282 1.00 0.00 C ATOM 0 H PHE A 72 3.692 0.752 -9.173 1.00 0.00 H new ATOM 0 HA PHE A 72 1.398 -0.941 -9.573 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.130 0.087 -7.280 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.699 -0.864 -6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.548 -3.175 -8.109 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.145 -0.988 -7.725 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.862 -5.273 -8.457 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.459 -3.087 -8.069 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.302 -5.204 -8.431 1.00 0.00 H new ATOM 1089 N LEU A 73 0.893 2.080 -8.759 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.110 3.079 -8.432 1.00 0.00 C ATOM 1091 C LEU A 73 -0.693 3.652 -9.726 1.00 0.00 C ATOM 1092 O LEU A 73 -0.125 3.469 -10.801 1.00 0.00 O ATOM 1093 CB LEU A 73 0.475 4.140 -7.498 1.00 0.00 C ATOM 1094 CG LEU A 73 0.866 3.660 -6.099 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.673 4.728 -5.359 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.366 3.220 -5.306 1.00 0.00 C ATOM 0 H LEU A 73 1.762 2.456 -9.139 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.935 2.625 -7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.358 4.567 -7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.252 4.945 -7.394 1.00 0.00 H new ATOM 0 HG LEU A 73 1.509 2.786 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.938 4.362 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.582 4.950 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.075 5.634 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.060 2.883 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.054 4.059 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.863 2.403 -5.829 1.00 0.00 H new ATOM 1108 N LYS A 74 -1.820 4.333 -9.578 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.486 4.934 -10.721 1.00 0.00 C ATOM 1110 C LYS A 74 -3.108 6.267 -10.300 1.00 0.00 C ATOM 1111 O LYS A 74 -3.576 6.409 -9.172 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.488 3.954 -11.334 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.611 3.628 -10.346 1.00 0.00 C ATOM 1114 CD LYS A 74 -5.941 4.222 -10.814 1.00 0.00 C ATOM 1115 CE LYS A 74 -6.633 3.295 -11.815 1.00 0.00 C ATOM 1116 NZ LYS A 74 -7.604 4.052 -12.637 1.00 0.00 N ATOM 0 H LYS A 74 -2.289 4.482 -8.684 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.766 5.152 -11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.911 4.382 -12.243 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.975 3.037 -11.623 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.707 2.547 -10.243 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.359 4.021 -9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.592 4.387 -9.955 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.767 5.195 -11.274 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.889 2.826 -12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.145 2.493 -11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.065 3.408 -13.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.323 4.479 -12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.107 4.802 -13.159 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.094 7.235 -11.256 1.00 0.00 N ATOM 1131 CA PRO A 75 -3.652 8.551 -10.995 1.00 0.00 C ATOM 1132 C PRO A 75 -5.181 8.512 -11.009 1.00 0.00 C ATOM 1133 O PRO A 75 -5.794 8.421 -12.072 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.071 9.446 -12.079 1.00 0.00 C ATOM 1135 CG PRO A 75 -2.584 8.511 -13.174 1.00 0.00 C ATOM 1136 CD PRO A 75 -2.549 7.102 -12.604 1.00 0.00 C ATOM 0 HA PRO A 75 -3.395 8.928 -10.005 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.823 10.136 -12.461 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.252 10.051 -11.689 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.247 8.557 -14.038 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.593 8.809 -13.517 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.145 6.416 -13.206 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.533 6.708 -12.583 1.00 0.00 H new ATOM 1144 N TYR A 76 -5.754 8.582 -9.816 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.200 8.555 -9.678 1.00 0.00 C ATOM 1146 C TYR A 76 -7.841 9.748 -10.390 1.00 0.00 C ATOM 1147 O TYR A 76 -7.142 10.587 -10.955 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.482 8.660 -8.178 1.00 0.00 C ATOM 1149 CG TYR A 76 -8.928 8.340 -7.793 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -9.399 7.047 -7.895 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -9.760 9.345 -7.343 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -10.760 6.746 -7.533 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -11.121 9.044 -6.980 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.554 7.759 -7.093 1.00 0.00 C ATOM 1155 OH TYR A 76 -12.839 7.475 -6.750 1.00 0.00 O ATOM 0 H TYR A 76 -5.243 8.657 -8.937 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.611 7.646 -10.118 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.816 7.981 -7.645 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.243 9.669 -7.843 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.747 6.261 -8.246 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.391 10.357 -7.263 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.142 5.739 -7.609 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.783 9.821 -6.626 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.287 8.294 -6.453 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.165 9.785 -10.339 1.00 0.00 N ATOM 1166 CA ASN A 77 -9.908 10.861 -10.972 1.00 0.00 C ATOM 1167 C ASN A 77 -11.360 10.824 -10.492 1.00 0.00 C ATOM 1168 O ASN A 77 -12.183 10.098 -11.048 1.00 0.00 O ATOM 1169 CB ASN A 77 -9.910 10.708 -12.495 1.00 0.00 C ATOM 1170 CG ASN A 77 -9.478 12.008 -13.177 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -8.433 12.570 -12.894 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -10.339 12.452 -14.088 1.00 0.00 N ATOM 0 H ASN A 77 -9.742 9.087 -9.869 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.430 11.803 -10.705 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.237 9.901 -12.784 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.907 10.429 -12.835 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.142 13.313 -14.599 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.196 11.932 -14.276 1.00 0.00 H new