USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 609 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 16 LYS NZ :NH3+ 165:sc= 1.36 (180deg=-0.147) USER MOD Set 1.2: A 21 TYR OH : rot 80:sc= 0.799 USER MOD Single : A 12 CYS SG : rot 160:sc= -1.36 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.214 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 26:sc= 0.31 USER MOD Single : A 35 TYR OH : rot 130:sc= 0 USER MOD Single : A 36 MET CE :methyl -140:sc= 0 (180deg=-2.45) USER MOD Single : A 37 THR OG1 : rot -130:sc= -0.162 USER MOD Single : A 40 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.5!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 60 ASN : amide:sc= -6.28! C(o=-6.3!,f=-16!) USER MOD Single : A 63 ASN : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -3.02! C(o=-3!,f=-3.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -73:sc= -0.926 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -168:sc= 0 (180deg=-0.229) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.286 -8.538 -12.132 1.00 0.00 N ATOM 84 CA PRO A 9 -0.578 -7.506 -11.133 1.00 0.00 C ATOM 85 C PRO A 9 -0.270 -6.102 -11.643 1.00 0.00 C ATOM 86 O PRO A 9 0.158 -5.926 -12.784 1.00 0.00 O ATOM 87 CB PRO A 9 0.349 -7.867 -9.970 1.00 0.00 C ATOM 88 CG PRO A 9 1.474 -8.614 -10.599 1.00 0.00 C ATOM 89 CD PRO A 9 0.877 -9.360 -11.760 1.00 0.00 C ATOM 0 HA PRO A 9 -1.634 -7.486 -10.864 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.705 -6.974 -9.456 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.166 -8.478 -9.228 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.256 -7.933 -10.934 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.932 -9.301 -9.888 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.584 -9.452 -12.584 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.581 -10.371 -11.479 1.00 0.00 H new ATOM 97 N ARG A 10 -0.491 -5.107 -10.791 1.00 0.00 N ATOM 98 CA ARG A 10 -0.238 -3.718 -11.156 1.00 0.00 C ATOM 99 C ARG A 10 0.947 -3.157 -10.375 1.00 0.00 C ATOM 100 O ARG A 10 0.926 -3.110 -9.144 1.00 0.00 O ATOM 101 CB ARG A 10 -1.482 -2.866 -10.898 1.00 0.00 C ATOM 102 CG ARG A 10 -2.510 -2.935 -12.016 1.00 0.00 C ATOM 103 CD ARG A 10 -3.772 -2.165 -11.660 1.00 0.00 C ATOM 104 NE ARG A 10 -3.520 -0.733 -11.524 1.00 0.00 N ATOM 105 CZ ARG A 10 -4.477 0.188 -11.550 1.00 0.00 C ATOM 106 NH1 ARG A 10 -5.743 -0.172 -11.707 1.00 0.00 N ATOM 107 NH2 ARG A 10 -4.168 1.472 -11.419 1.00 0.00 N ATOM 0 H ARG A 10 -0.845 -5.236 -9.843 1.00 0.00 H new ATOM 0 HA ARG A 10 0.002 -3.686 -12.219 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.948 -3.190 -9.967 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.179 -1.828 -10.758 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.081 -2.529 -12.932 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.762 -3.976 -12.216 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.526 -2.329 -12.430 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.181 -2.551 -10.726 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.556 -0.423 -11.402 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.984 -1.158 -11.808 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.476 0.537 -11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.195 1.753 -11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.904 2.178 -11.439 1.00 0.00 H new ATOM 121 N LEU A 11 1.978 -2.734 -11.097 1.00 0.00 N ATOM 122 CA LEU A 11 3.173 -2.177 -10.472 1.00 0.00 C ATOM 123 C LEU A 11 2.948 -0.723 -10.068 1.00 0.00 C ATOM 124 O LEU A 11 2.741 0.143 -10.919 1.00 0.00 O ATOM 125 CB LEU A 11 4.364 -2.275 -11.426 1.00 0.00 C ATOM 126 CG LEU A 11 5.741 -2.034 -10.807 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.775 -0.697 -10.083 1.00 0.00 C ATOM 128 CD2 LEU A 11 6.104 -3.166 -9.856 1.00 0.00 C ATOM 0 H LEU A 11 2.011 -2.766 -12.116 1.00 0.00 H new ATOM 0 HA LEU A 11 3.387 -2.756 -9.573 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.360 -3.266 -11.880 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.219 -1.555 -12.232 1.00 0.00 H new ATOM 0 HG LEU A 11 6.479 -2.009 -11.609 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.763 -0.543 -9.649 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.560 0.105 -10.789 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.026 -0.693 -9.291 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.087 -2.978 -9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.363 -3.223 -9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.122 -4.109 -10.403 1.00 0.00 H new ATOM 140 N CYS A 12 2.993 -0.463 -8.766 1.00 0.00 N ATOM 141 CA CYS A 12 2.796 0.887 -8.249 1.00 0.00 C ATOM 142 C CYS A 12 4.130 1.530 -7.885 1.00 0.00 C ATOM 143 O CYS A 12 4.673 1.289 -6.807 1.00 0.00 O ATOM 144 CB CYS A 12 1.879 0.858 -7.026 1.00 0.00 C ATOM 145 SG CYS A 12 0.252 0.134 -7.339 1.00 0.00 S ATOM 0 H CYS A 12 3.164 -1.168 -8.049 1.00 0.00 H new ATOM 0 HA CYS A 12 2.327 1.484 -9.031 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.369 0.295 -6.232 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.747 1.876 -6.660 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.282 -0.237 -6.213 1.00 0.00 H new ATOM 151 N TYR A 13 4.654 2.347 -8.792 1.00 0.00 N ATOM 152 CA TYR A 13 5.927 3.022 -8.568 1.00 0.00 C ATOM 153 C TYR A 13 5.734 4.291 -7.745 1.00 0.00 C ATOM 154 O TYR A 13 5.361 5.339 -8.275 1.00 0.00 O ATOM 155 CB TYR A 13 6.589 3.363 -9.905 1.00 0.00 C ATOM 156 CG TYR A 13 8.100 3.347 -9.853 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.804 2.151 -9.917 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.823 4.528 -9.740 1.00 0.00 C ATOM 159 CE1 TYR A 13 10.185 2.132 -9.869 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.204 4.518 -9.694 1.00 0.00 C ATOM 161 CZ TYR A 13 10.880 3.318 -9.759 1.00 0.00 C ATOM 162 OH TYR A 13 12.255 3.304 -9.711 1.00 0.00 O ATOM 0 H TYR A 13 4.217 2.558 -9.689 1.00 0.00 H new ATOM 0 HA TYR A 13 6.575 2.345 -8.011 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.252 2.652 -10.660 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.255 4.350 -10.225 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.263 1.221 -10.006 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.297 5.470 -9.687 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.717 1.193 -9.917 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.751 5.445 -9.608 1.00 0.00 H new ATOM 0 HH TYR A 13 12.589 4.222 -9.634 1.00 0.00 H new ATOM 172 N LEU A 14 5.990 4.190 -6.445 1.00 0.00 N ATOM 173 CA LEU A 14 5.845 5.329 -5.546 1.00 0.00 C ATOM 174 C LEU A 14 7.104 6.191 -5.552 1.00 0.00 C ATOM 175 O LEU A 14 8.218 5.680 -5.668 1.00 0.00 O ATOM 176 CB LEU A 14 5.549 4.848 -4.124 1.00 0.00 C ATOM 177 CG LEU A 14 4.078 4.589 -3.796 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.380 5.885 -3.415 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.377 3.930 -4.975 1.00 0.00 C ATOM 0 H LEU A 14 6.299 3.331 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 14 5.010 5.935 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.107 3.928 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.932 5.590 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 14 4.029 3.910 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.334 5.681 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.866 6.317 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.438 6.588 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.331 3.753 -4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.436 4.584 -5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.861 2.980 -5.202 1.00 0.00 H new ATOM 191 N VAL A 15 6.919 7.501 -5.422 1.00 0.00 N ATOM 192 CA VAL A 15 8.040 8.433 -5.409 1.00 0.00 C ATOM 193 C VAL A 15 7.845 9.511 -4.349 1.00 0.00 C ATOM 194 O VAL A 15 6.885 10.281 -4.398 1.00 0.00 O ATOM 195 CB VAL A 15 8.226 9.107 -6.782 1.00 0.00 C ATOM 196 CG1 VAL A 15 9.122 10.330 -6.660 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.795 8.117 -7.787 1.00 0.00 C ATOM 0 H VAL A 15 6.004 7.940 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 15 8.932 7.852 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 15 7.251 9.436 -7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.242 10.793 -7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.669 11.046 -5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.098 10.029 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.920 8.609 -8.752 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.762 7.757 -7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.111 7.275 -7.895 1.00 0.00 H new ATOM 207 N LYS A 16 8.763 9.563 -3.390 1.00 0.00 N ATOM 208 CA LYS A 16 8.695 10.547 -2.317 1.00 0.00 C ATOM 209 C LYS A 16 8.429 11.942 -2.874 1.00 0.00 C ATOM 210 O LYS A 16 9.320 12.574 -3.439 1.00 0.00 O ATOM 211 CB LYS A 16 9.998 10.548 -1.514 1.00 0.00 C ATOM 212 CG LYS A 16 9.989 9.584 -0.339 1.00 0.00 C ATOM 213 CD LYS A 16 11.225 9.752 0.529 1.00 0.00 C ATOM 214 CE LYS A 16 11.282 8.700 1.626 1.00 0.00 C ATOM 215 NZ LYS A 16 11.494 7.333 1.073 1.00 0.00 N ATOM 0 H LYS A 16 9.564 8.934 -3.334 1.00 0.00 H new ATOM 0 HA LYS A 16 7.870 10.273 -1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.824 10.292 -2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.187 11.556 -1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.095 9.750 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.939 8.560 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.119 9.682 -0.091 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.225 10.746 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.089 8.941 2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.354 8.721 2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.779 6.689 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.610 6.991 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.241 7.363 0.350 1.00 0.00 H new ATOM 229 N GLU A 17 7.198 12.415 -2.709 1.00 0.00 N ATOM 230 CA GLU A 17 6.816 13.735 -3.196 1.00 0.00 C ATOM 231 C GLU A 17 6.660 14.718 -2.039 1.00 0.00 C ATOM 232 O GLU A 17 7.288 15.776 -2.020 1.00 0.00 O ATOM 233 CB GLU A 17 5.510 13.653 -3.989 1.00 0.00 C ATOM 234 CG GLU A 17 4.957 15.009 -4.393 1.00 0.00 C ATOM 235 CD GLU A 17 5.482 15.477 -5.737 1.00 0.00 C ATOM 236 OE1 GLU A 17 6.655 15.900 -5.801 1.00 0.00 O ATOM 237 OE2 GLU A 17 4.719 15.420 -6.724 1.00 0.00 O ATOM 0 H GLU A 17 6.449 11.904 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 17 7.609 14.095 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.676 13.056 -4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.764 13.129 -3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.869 14.957 -4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.215 15.744 -3.631 1.00 0.00 H new ATOM 244 N GLY A 18 5.817 14.359 -1.075 1.00 0.00 N ATOM 245 CA GLY A 18 5.592 15.219 0.072 1.00 0.00 C ATOM 246 C GLY A 18 5.740 14.481 1.388 1.00 0.00 C ATOM 247 O GLY A 18 5.008 13.531 1.659 1.00 0.00 O ATOM 0 H GLY A 18 5.286 13.488 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.297 16.050 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.592 15.648 0.010 1.00 0.00 H new ATOM 251 N GLY A 19 6.691 14.920 2.207 1.00 0.00 N ATOM 252 CA GLY A 19 6.916 14.281 3.491 1.00 0.00 C ATOM 253 C GLY A 19 6.884 12.769 3.399 1.00 0.00 C ATOM 254 O GLY A 19 7.809 12.152 2.871 1.00 0.00 O ATOM 0 H GLY A 19 7.309 15.706 2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.881 14.598 3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.156 14.615 4.198 1.00 0.00 H new ATOM 258 N SER A 20 5.817 12.168 3.917 1.00 0.00 N ATOM 259 CA SER A 20 5.671 10.718 3.897 1.00 0.00 C ATOM 260 C SER A 20 4.722 10.283 2.785 1.00 0.00 C ATOM 261 O SER A 20 3.800 11.013 2.419 1.00 0.00 O ATOM 262 CB SER A 20 5.156 10.217 5.248 1.00 0.00 C ATOM 263 OG SER A 20 5.284 8.810 5.352 1.00 0.00 O ATOM 0 H SER A 20 5.041 12.664 4.356 1.00 0.00 H new ATOM 0 HA SER A 20 6.651 10.282 3.706 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.712 10.697 6.053 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.111 10.500 5.370 1.00 0.00 H new ATOM 0 HG SER A 20 4.950 8.515 6.225 1.00 0.00 H new ATOM 269 N TYR A 21 4.955 9.089 2.251 1.00 0.00 N ATOM 270 CA TYR A 21 4.123 8.556 1.178 1.00 0.00 C ATOM 271 C TYR A 21 2.642 8.713 1.509 1.00 0.00 C ATOM 272 O TYR A 21 2.279 9.113 2.614 1.00 0.00 O ATOM 273 CB TYR A 21 4.449 7.082 0.935 1.00 0.00 C ATOM 274 CG TYR A 21 5.883 6.840 0.520 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.872 6.609 1.468 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.248 6.841 -0.820 1.00 0.00 C ATOM 277 CE1 TYR A 21 8.183 6.388 1.093 1.00 0.00 C ATOM 278 CE2 TYR A 21 7.556 6.619 -1.205 1.00 0.00 C ATOM 279 CZ TYR A 21 8.520 6.394 -0.244 1.00 0.00 C ATOM 280 OH TYR A 21 9.825 6.173 -0.622 1.00 0.00 O ATOM 0 H TYR A 21 5.713 8.472 2.543 1.00 0.00 H new ATOM 0 HA TYR A 21 4.337 9.122 0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.243 6.518 1.845 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.785 6.694 0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.611 6.602 2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.496 7.018 -1.574 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.940 6.211 1.843 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.822 6.622 -2.252 1.00 0.00 H new ATOM 0 HH TYR A 21 10.013 5.211 -0.602 1.00 0.00 H new ATOM 290 N GLY A 22 1.789 8.394 0.540 1.00 0.00 N ATOM 291 CA GLY A 22 0.356 8.505 0.746 1.00 0.00 C ATOM 292 C GLY A 22 -0.306 7.157 0.951 1.00 0.00 C ATOM 293 O GLY A 22 -1.387 6.901 0.420 1.00 0.00 O ATOM 0 H GLY A 22 2.064 8.061 -0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.165 9.136 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.094 9.001 -0.114 1.00 0.00 H new ATOM 297 N PHE A 23 0.344 6.291 1.721 1.00 0.00 N ATOM 298 CA PHE A 23 -0.188 4.960 1.993 1.00 0.00 C ATOM 299 C PHE A 23 0.225 4.483 3.382 1.00 0.00 C ATOM 300 O PHE A 23 1.282 4.857 3.891 1.00 0.00 O ATOM 301 CB PHE A 23 0.299 3.968 0.935 1.00 0.00 C ATOM 302 CG PHE A 23 1.784 3.741 0.963 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.366 3.002 1.981 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.598 4.268 -0.027 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.731 2.791 2.010 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.964 4.060 -0.003 1.00 0.00 C ATOM 307 CZ PHE A 23 4.532 3.322 1.017 1.00 0.00 C ATOM 0 H PHE A 23 1.240 6.486 2.168 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.276 5.016 1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.209 3.015 1.081 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.014 4.333 -0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.745 2.586 2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.160 4.848 -0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.172 2.212 2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.587 4.474 -0.782 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.600 3.160 1.038 1.00 0.00 H new ATOM 317 N SER A 24 -0.617 3.654 3.991 1.00 0.00 N ATOM 318 CA SER A 24 -0.343 3.128 5.323 1.00 0.00 C ATOM 319 C SER A 24 -0.145 1.616 5.280 1.00 0.00 C ATOM 320 O SER A 24 -0.522 0.956 4.311 1.00 0.00 O ATOM 321 CB SER A 24 -1.488 3.477 6.277 1.00 0.00 C ATOM 322 OG SER A 24 -1.609 4.879 6.436 1.00 0.00 O ATOM 0 H SER A 24 -1.495 3.332 3.583 1.00 0.00 H new ATOM 0 HA SER A 24 0.577 3.587 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.423 3.069 5.893 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.312 3.012 7.247 1.00 0.00 H new ATOM 0 HG SER A 24 -2.348 5.076 7.048 1.00 0.00 H new ATOM 328 N LEU A 25 0.450 1.073 6.336 1.00 0.00 N ATOM 329 CA LEU A 25 0.699 -0.361 6.421 1.00 0.00 C ATOM 330 C LEU A 25 0.203 -0.923 7.750 1.00 0.00 C ATOM 331 O LEU A 25 0.319 -0.277 8.792 1.00 0.00 O ATOM 332 CB LEU A 25 2.193 -0.650 6.259 1.00 0.00 C ATOM 333 CG LEU A 25 2.841 -0.133 4.974 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.350 -0.309 5.029 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.263 -0.847 3.761 1.00 0.00 C ATOM 0 H LEU A 25 0.769 1.605 7.146 1.00 0.00 H new ATOM 0 HA LEU A 25 0.151 -0.848 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.721 -0.216 7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.341 -1.729 6.309 1.00 0.00 H new ATOM 0 HG LEU A 25 2.623 0.931 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.794 0.064 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.751 0.248 5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.589 -1.366 5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.736 -0.467 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.450 -1.918 3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.189 -0.669 3.712 1.00 0.00 H new ATOM 347 N LYS A 26 -0.350 -2.131 7.706 1.00 0.00 N ATOM 348 CA LYS A 26 -0.861 -2.782 8.906 1.00 0.00 C ATOM 349 C LYS A 26 -0.983 -4.288 8.697 1.00 0.00 C ATOM 350 O LYS A 26 -1.466 -4.746 7.661 1.00 0.00 O ATOM 351 CB LYS A 26 -2.224 -2.198 9.287 1.00 0.00 C ATOM 352 CG LYS A 26 -3.284 -2.378 8.214 1.00 0.00 C ATOM 353 CD LYS A 26 -4.628 -1.827 8.661 1.00 0.00 C ATOM 354 CE LYS A 26 -5.451 -2.882 9.384 1.00 0.00 C ATOM 355 NZ LYS A 26 -6.796 -2.370 9.767 1.00 0.00 N ATOM 0 H LYS A 26 -0.455 -2.679 6.852 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.155 -2.601 9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.567 -2.669 10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.108 -1.135 9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.968 -1.873 7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.385 -3.437 7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.471 -0.972 9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.180 -1.464 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.564 -3.756 8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.919 -3.208 10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.326 -3.119 10.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.689 -1.551 10.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.314 -2.082 8.912 1.00 0.00 H new ATOM 369 N THR A 27 -0.542 -5.056 9.689 1.00 0.00 N ATOM 370 CA THR A 27 -0.601 -6.510 9.614 1.00 0.00 C ATOM 371 C THR A 27 -1.740 -7.059 10.467 1.00 0.00 C ATOM 372 O THR A 27 -1.873 -6.711 11.640 1.00 0.00 O ATOM 373 CB THR A 27 0.722 -7.151 10.073 1.00 0.00 C ATOM 374 OG1 THR A 27 0.926 -6.909 11.469 1.00 0.00 O ATOM 375 CG2 THR A 27 1.896 -6.595 9.280 1.00 0.00 C ATOM 0 H THR A 27 -0.140 -4.694 10.554 1.00 0.00 H new ATOM 0 HA THR A 27 -0.777 -6.765 8.569 1.00 0.00 H new ATOM 0 HB THR A 27 0.660 -8.225 9.897 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.060 -6.776 11.908 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.820 -7.062 9.622 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.752 -6.807 8.220 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.958 -5.517 9.429 1.00 0.00 H new ATOM 383 N VAL A 28 -2.559 -7.918 9.869 1.00 0.00 N ATOM 384 CA VAL A 28 -3.687 -8.516 10.574 1.00 0.00 C ATOM 385 C VAL A 28 -3.297 -9.850 11.202 1.00 0.00 C ATOM 386 O VAL A 28 -2.607 -10.660 10.583 1.00 0.00 O ATOM 387 CB VAL A 28 -4.886 -8.736 9.633 1.00 0.00 C ATOM 388 CG1 VAL A 28 -6.077 -9.284 10.404 1.00 0.00 C ATOM 389 CG2 VAL A 28 -5.250 -7.440 8.924 1.00 0.00 C ATOM 0 H VAL A 28 -2.463 -8.216 8.898 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.975 -7.817 11.359 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.604 -9.470 8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.914 -9.433 9.722 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.808 -10.236 10.861 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.364 -8.576 11.182 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.099 -7.613 8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.513 -6.683 9.663 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.398 -7.094 8.338 1.00 0.00 H new ATOM 467 N GLY A 33 2.011 -11.143 6.733 1.00 0.00 N ATOM 468 CA GLY A 33 2.587 -10.053 5.967 1.00 0.00 C ATOM 469 C GLY A 33 1.839 -8.749 6.162 1.00 0.00 C ATOM 470 O GLY A 33 1.089 -8.593 7.126 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.628 -9.918 6.259 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.584 -10.315 4.909 1.00 0.00 H new ATOM 474 N VAL A 34 2.045 -7.808 5.247 1.00 0.00 N ATOM 475 CA VAL A 34 1.385 -6.510 5.323 1.00 0.00 C ATOM 476 C VAL A 34 0.726 -6.149 3.996 1.00 0.00 C ATOM 477 O VAL A 34 1.044 -6.726 2.956 1.00 0.00 O ATOM 478 CB VAL A 34 2.378 -5.397 5.709 1.00 0.00 C ATOM 479 CG1 VAL A 34 3.126 -4.899 4.482 1.00 0.00 C ATOM 480 CG2 VAL A 34 1.653 -4.254 6.403 1.00 0.00 C ATOM 0 H VAL A 34 2.664 -7.920 4.444 1.00 0.00 H new ATOM 0 HA VAL A 34 0.620 -6.589 6.096 1.00 0.00 H new ATOM 0 HB VAL A 34 3.107 -5.810 6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.823 -4.113 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.678 -5.724 4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.414 -4.502 3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.369 -3.477 6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.900 -3.840 5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.169 -4.625 7.306 1.00 0.00 H new ATOM 490 N TYR A 35 -0.193 -5.191 4.040 1.00 0.00 N ATOM 491 CA TYR A 35 -0.899 -4.755 2.842 1.00 0.00 C ATOM 492 C TYR A 35 -1.433 -3.335 3.010 1.00 0.00 C ATOM 493 O TYR A 35 -1.781 -2.919 4.114 1.00 0.00 O ATOM 494 CB TYR A 35 -2.051 -5.710 2.526 1.00 0.00 C ATOM 495 CG TYR A 35 -3.158 -5.685 3.557 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.943 -4.553 3.735 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.419 -6.795 4.351 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.954 -4.525 4.675 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.430 -6.777 5.293 1.00 0.00 C ATOM 500 CZ TYR A 35 -5.194 -5.639 5.452 1.00 0.00 C ATOM 501 OH TYR A 35 -6.201 -5.617 6.389 1.00 0.00 O ATOM 0 H TYR A 35 -0.466 -4.702 4.892 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.192 -4.763 2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.467 -5.454 1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.660 -6.725 2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.759 -3.679 3.127 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.822 -7.687 4.230 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.554 -3.636 4.801 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.621 -7.649 5.901 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.767 -6.410 6.280 1.00 0.00 H new ATOM 511 N MET A 36 -1.494 -2.598 1.906 1.00 0.00 N ATOM 512 CA MET A 36 -1.986 -1.226 1.930 1.00 0.00 C ATOM 513 C MET A 36 -3.430 -1.175 2.420 1.00 0.00 C ATOM 514 O MET A 36 -4.297 -1.882 1.905 1.00 0.00 O ATOM 515 CB MET A 36 -1.885 -0.601 0.538 1.00 0.00 C ATOM 516 CG MET A 36 -0.482 -0.640 -0.046 1.00 0.00 C ATOM 517 SD MET A 36 0.685 0.375 0.882 1.00 0.00 S ATOM 518 CE MET A 36 2.150 0.224 -0.138 1.00 0.00 C ATOM 0 H MET A 36 -1.209 -2.928 0.984 1.00 0.00 H new ATOM 0 HA MET A 36 -1.366 -0.656 2.622 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.565 -1.123 -0.136 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.220 0.435 0.589 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.128 -1.671 -0.062 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.513 -0.297 -1.080 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.029 0.126 0.500 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.062 -0.658 -0.773 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.252 1.112 -0.762 1.00 0.00 H new ATOM 528 N THR A 37 -3.683 -0.334 3.418 1.00 0.00 N ATOM 529 CA THR A 37 -5.021 -0.192 3.977 1.00 0.00 C ATOM 530 C THR A 37 -5.553 1.223 3.778 1.00 0.00 C ATOM 531 O THR A 37 -6.676 1.414 3.312 1.00 0.00 O ATOM 532 CB THR A 37 -5.040 -0.529 5.480 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.378 -0.450 5.983 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.144 0.422 6.259 1.00 0.00 C ATOM 0 H THR A 37 -2.978 0.259 3.856 1.00 0.00 H new ATOM 0 HA THR A 37 -5.662 -0.896 3.446 1.00 0.00 H new ATOM 0 HB THR A 37 -4.664 -1.544 5.607 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.391 0.100 6.794 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.174 0.165 7.318 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.120 0.339 5.894 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.495 1.445 6.124 1.00 0.00 H new ATOM 542 N ASP A 38 -4.740 2.211 4.135 1.00 0.00 N ATOM 543 CA ASP A 38 -5.128 3.610 3.994 1.00 0.00 C ATOM 544 C ASP A 38 -4.405 4.258 2.817 1.00 0.00 C ATOM 545 O ASP A 38 -3.192 4.467 2.861 1.00 0.00 O ATOM 546 CB ASP A 38 -4.826 4.378 5.281 1.00 0.00 C ATOM 547 CG ASP A 38 -5.457 5.756 5.295 1.00 0.00 C ATOM 548 OD1 ASP A 38 -4.922 6.661 4.622 1.00 0.00 O ATOM 549 OD2 ASP A 38 -6.488 5.929 5.979 1.00 0.00 O ATOM 0 H ASP A 38 -3.808 2.069 4.524 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.200 3.647 3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.189 3.807 6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.747 4.475 5.398 1.00 0.00 H new ATOM 554 N ILE A 39 -5.157 4.574 1.768 1.00 0.00 N ATOM 555 CA ILE A 39 -4.587 5.198 0.581 1.00 0.00 C ATOM 556 C ILE A 39 -4.942 6.680 0.516 1.00 0.00 C ATOM 557 O ILE A 39 -5.991 7.057 -0.009 1.00 0.00 O ATOM 558 CB ILE A 39 -5.074 4.508 -0.707 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.669 3.033 -0.706 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.513 5.216 -1.931 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.174 2.817 -0.616 1.00 0.00 C ATOM 0 H ILE A 39 -6.162 4.408 1.716 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.505 5.088 0.655 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.162 4.566 -0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.151 2.533 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.042 2.561 -1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.866 4.717 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.847 6.254 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.424 5.185 -1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.960 1.748 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.686 3.288 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.797 3.259 0.307 1.00 0.00 H new ATOM 573 N THR A 40 -4.059 7.518 1.050 1.00 0.00 N ATOM 574 CA THR A 40 -4.278 8.959 1.052 1.00 0.00 C ATOM 575 C THR A 40 -4.874 9.427 -0.270 1.00 0.00 C ATOM 576 O THR A 40 -4.349 9.149 -1.348 1.00 0.00 O ATOM 577 CB THR A 40 -2.967 9.726 1.311 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.390 9.305 2.552 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.216 11.227 1.345 1.00 0.00 C ATOM 0 H THR A 40 -3.186 7.223 1.487 1.00 0.00 H new ATOM 0 HA THR A 40 -4.980 9.170 1.859 1.00 0.00 H new ATOM 0 HB THR A 40 -2.276 9.506 0.497 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.649 9.901 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.276 11.748 1.529 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.628 11.549 0.389 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.922 11.461 2.142 1.00 0.00 H new ATOM 587 N PRO A 41 -5.998 10.155 -0.189 1.00 0.00 N ATOM 588 CA PRO A 41 -6.689 10.678 -1.371 1.00 0.00 C ATOM 589 C PRO A 41 -5.902 11.789 -2.059 1.00 0.00 C ATOM 590 O PRO A 41 -5.439 12.726 -1.410 1.00 0.00 O ATOM 591 CB PRO A 41 -8.000 11.226 -0.802 1.00 0.00 C ATOM 592 CG PRO A 41 -7.692 11.544 0.620 1.00 0.00 C ATOM 593 CD PRO A 41 -6.679 10.525 1.063 1.00 0.00 C ATOM 0 HA PRO A 41 -6.826 9.912 -2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.327 12.113 -1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.802 10.492 -0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.296 12.555 0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.591 11.493 1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.983 10.941 1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.154 9.663 1.532 1.00 0.00 H new ATOM 601 N GLN A 42 -5.757 11.676 -3.375 1.00 0.00 N ATOM 602 CA GLN A 42 -5.026 12.672 -4.150 1.00 0.00 C ATOM 603 C GLN A 42 -3.575 12.763 -3.688 1.00 0.00 C ATOM 604 O GLN A 42 -2.999 13.849 -3.628 1.00 0.00 O ATOM 605 CB GLN A 42 -5.699 14.040 -4.028 1.00 0.00 C ATOM 606 CG GLN A 42 -7.141 14.053 -4.510 1.00 0.00 C ATOM 607 CD GLN A 42 -7.564 15.407 -5.045 1.00 0.00 C ATOM 608 OE1 GLN A 42 -6.733 16.290 -5.262 1.00 0.00 O ATOM 609 NE2 GLN A 42 -8.863 15.578 -5.262 1.00 0.00 N ATOM 0 H GLN A 42 -6.135 10.906 -3.927 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.037 12.362 -5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.670 14.358 -2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.127 14.770 -4.600 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.266 13.303 -5.291 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.798 13.770 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.517 14.819 -5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.207 16.468 -5.622 1.00 0.00 H new ATOM 618 N GLY A 43 -2.989 11.615 -3.362 1.00 0.00 N ATOM 619 CA GLY A 43 -1.611 11.587 -2.910 1.00 0.00 C ATOM 620 C GLY A 43 -0.712 10.792 -3.835 1.00 0.00 C ATOM 621 O GLY A 43 -1.148 10.331 -4.890 1.00 0.00 O ATOM 0 H GLY A 43 -3.445 10.703 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.236 12.608 -2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.569 11.156 -1.910 1.00 0.00 H new ATOM 625 N VAL A 44 0.548 10.632 -3.441 1.00 0.00 N ATOM 626 CA VAL A 44 1.511 9.887 -4.244 1.00 0.00 C ATOM 627 C VAL A 44 0.967 8.514 -4.621 1.00 0.00 C ATOM 628 O VAL A 44 1.033 8.106 -5.780 1.00 0.00 O ATOM 629 CB VAL A 44 2.846 9.711 -3.497 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.813 8.875 -4.321 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.452 11.066 -3.163 1.00 0.00 C ATOM 0 H VAL A 44 0.925 11.008 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 44 1.684 10.467 -5.151 1.00 0.00 H new ATOM 0 HB VAL A 44 2.653 9.184 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.751 8.761 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.379 7.892 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.003 9.371 -5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.395 10.923 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.632 11.621 -4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.764 11.626 -2.530 1.00 0.00 H new ATOM 641 N ALA A 45 0.428 7.806 -3.634 1.00 0.00 N ATOM 642 CA ALA A 45 -0.130 6.479 -3.863 1.00 0.00 C ATOM 643 C ALA A 45 -1.298 6.535 -4.842 1.00 0.00 C ATOM 644 O ALA A 45 -1.194 6.064 -5.973 1.00 0.00 O ATOM 645 CB ALA A 45 -0.572 5.858 -2.546 1.00 0.00 C ATOM 0 H ALA A 45 0.366 8.129 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 45 0.649 5.856 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.987 4.867 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.285 5.773 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.331 6.488 -2.083 1.00 0.00 H new ATOM 651 N MET A 46 -2.408 7.115 -4.398 1.00 0.00 N ATOM 652 CA MET A 46 -3.596 7.234 -5.236 1.00 0.00 C ATOM 653 C MET A 46 -3.222 7.673 -6.648 1.00 0.00 C ATOM 654 O MET A 46 -3.858 7.269 -7.622 1.00 0.00 O ATOM 655 CB MET A 46 -4.582 8.230 -4.623 1.00 0.00 C ATOM 656 CG MET A 46 -5.942 8.235 -5.302 1.00 0.00 C ATOM 657 SD MET A 46 -6.641 6.581 -5.467 1.00 0.00 S ATOM 658 CE MET A 46 -8.070 6.709 -4.394 1.00 0.00 C ATOM 0 H MET A 46 -2.510 7.510 -3.463 1.00 0.00 H new ATOM 0 HA MET A 46 -4.070 6.254 -5.293 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.713 7.995 -3.567 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.155 9.231 -4.676 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.628 8.860 -4.729 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.849 8.686 -6.290 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.608 5.761 -4.390 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.744 6.945 -3.381 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.728 7.498 -4.757 1.00 0.00 H new ATOM 668 N ARG A 47 -2.189 8.502 -6.752 1.00 0.00 N ATOM 669 CA ARG A 47 -1.733 8.997 -8.045 1.00 0.00 C ATOM 670 C ARG A 47 -1.035 7.892 -8.834 1.00 0.00 C ATOM 671 O ARG A 47 -1.203 7.783 -10.049 1.00 0.00 O ATOM 672 CB ARG A 47 -0.783 10.181 -7.856 1.00 0.00 C ATOM 673 CG ARG A 47 -0.602 11.023 -9.108 1.00 0.00 C ATOM 674 CD ARG A 47 -1.845 11.845 -9.411 1.00 0.00 C ATOM 675 NE ARG A 47 -1.523 13.091 -10.101 1.00 0.00 N ATOM 676 CZ ARG A 47 -2.438 13.899 -10.626 1.00 0.00 C ATOM 677 NH1 ARG A 47 -3.725 13.593 -10.539 1.00 0.00 N ATOM 678 NH2 ARG A 47 -2.066 15.015 -11.238 1.00 0.00 N ATOM 0 H ARG A 47 -1.652 8.845 -5.956 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.606 9.327 -8.608 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.161 10.815 -7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.190 9.808 -7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.253 11.687 -8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.378 10.374 -9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.528 11.257 -10.024 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.366 12.070 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.542 13.356 -10.185 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.015 12.736 -10.068 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.425 14.215 -10.943 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.077 15.254 -11.306 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.769 15.635 -11.641 1.00 0.00 H new ATOM 692 N ALA A 48 -0.253 7.077 -8.136 1.00 0.00 N ATOM 693 CA ALA A 48 0.468 5.980 -8.770 1.00 0.00 C ATOM 694 C ALA A 48 -0.495 4.924 -9.301 1.00 0.00 C ATOM 695 O ALA A 48 -0.197 4.230 -10.272 1.00 0.00 O ATOM 696 CB ALA A 48 1.451 5.357 -7.790 1.00 0.00 C ATOM 0 H ALA A 48 -0.102 7.155 -7.130 1.00 0.00 H new ATOM 0 HA ALA A 48 1.024 6.385 -9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.982 4.539 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.167 6.111 -7.464 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.909 4.973 -6.926 1.00 0.00 H new ATOM 702 N GLY A 49 -1.652 4.807 -8.656 1.00 0.00 N ATOM 703 CA GLY A 49 -2.640 3.832 -9.078 1.00 0.00 C ATOM 704 C GLY A 49 -2.754 2.667 -8.114 1.00 0.00 C ATOM 705 O GLY A 49 -2.953 1.526 -8.529 1.00 0.00 O ATOM 0 H GLY A 49 -1.922 5.370 -7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.611 4.319 -9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.376 3.457 -10.067 1.00 0.00 H new ATOM 709 N VAL A 50 -2.625 2.955 -6.823 1.00 0.00 N ATOM 710 CA VAL A 50 -2.713 1.923 -5.796 1.00 0.00 C ATOM 711 C VAL A 50 -3.956 2.111 -4.934 1.00 0.00 C ATOM 712 O VAL A 50 -4.218 3.205 -4.432 1.00 0.00 O ATOM 713 CB VAL A 50 -1.468 1.924 -4.890 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.323 3.264 -4.184 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.541 0.786 -3.883 1.00 0.00 C ATOM 0 H VAL A 50 -2.459 3.895 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.775 0.966 -6.314 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.586 1.771 -5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.438 3.246 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.222 4.057 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.206 3.450 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.653 0.802 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.430 0.905 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.593 -0.165 -4.412 1.00 0.00 H new ATOM 725 N LEU A 51 -4.720 1.038 -4.765 1.00 0.00 N ATOM 726 CA LEU A 51 -5.937 1.083 -3.962 1.00 0.00 C ATOM 727 C LEU A 51 -5.700 0.482 -2.580 1.00 0.00 C ATOM 728 O LEU A 51 -4.652 -0.108 -2.320 1.00 0.00 O ATOM 729 CB LEU A 51 -7.067 0.334 -4.670 1.00 0.00 C ATOM 730 CG LEU A 51 -6.843 -1.162 -4.894 1.00 0.00 C ATOM 731 CD1 LEU A 51 -8.168 -1.910 -4.871 1.00 0.00 C ATOM 732 CD2 LEU A 51 -6.117 -1.401 -6.210 1.00 0.00 C ATOM 0 H LEU A 51 -4.518 0.125 -5.173 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.223 2.127 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.980 0.461 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.237 0.805 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.221 -1.542 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.989 -2.973 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.650 -1.766 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.815 -1.528 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.966 -2.471 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.714 -1.006 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.150 -0.898 -6.189 1.00 0.00 H new ATOM 744 N ALA A 52 -6.683 0.634 -1.698 1.00 0.00 N ATOM 745 CA ALA A 52 -6.583 0.103 -0.344 1.00 0.00 C ATOM 746 C ALA A 52 -6.807 -1.405 -0.329 1.00 0.00 C ATOM 747 O ALA A 52 -7.264 -1.985 -1.314 1.00 0.00 O ATOM 748 CB ALA A 52 -7.582 0.797 0.570 1.00 0.00 C ATOM 0 H ALA A 52 -7.557 1.120 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.576 0.298 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.496 0.391 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.374 1.867 0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.593 0.631 0.197 1.00 0.00 H new ATOM 754 N ASP A 53 -6.483 -2.035 0.795 1.00 0.00 N ATOM 755 CA ASP A 53 -6.650 -3.477 0.939 1.00 0.00 C ATOM 756 C ASP A 53 -5.924 -4.222 -0.177 1.00 0.00 C ATOM 757 O ASP A 53 -6.459 -5.167 -0.756 1.00 0.00 O ATOM 758 CB ASP A 53 -8.135 -3.843 0.931 1.00 0.00 C ATOM 759 CG ASP A 53 -8.740 -3.838 2.322 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.358 -4.703 3.138 1.00 0.00 O ATOM 761 OD2 ASP A 53 -9.594 -2.968 2.593 1.00 0.00 O ATOM 0 H ASP A 53 -6.103 -1.570 1.620 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.215 -3.775 1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.677 -3.138 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.261 -4.830 0.487 1.00 0.00 H new ATOM 766 N ASP A 54 -4.703 -3.789 -0.473 1.00 0.00 N ATOM 767 CA ASP A 54 -3.903 -4.415 -1.519 1.00 0.00 C ATOM 768 C ASP A 54 -2.811 -5.293 -0.917 1.00 0.00 C ATOM 769 O ASP A 54 -1.805 -4.792 -0.413 1.00 0.00 O ATOM 770 CB ASP A 54 -3.279 -3.349 -2.420 1.00 0.00 C ATOM 771 CG ASP A 54 -4.172 -2.983 -3.589 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.249 -3.599 -3.728 1.00 0.00 O ATOM 773 OD2 ASP A 54 -3.794 -2.081 -4.366 1.00 0.00 O ATOM 0 H ASP A 54 -4.246 -3.007 -0.003 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.561 -5.045 -2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.072 -2.455 -1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.322 -3.711 -2.797 1.00 0.00 H new ATOM 778 N HIS A 55 -3.016 -6.605 -0.971 1.00 0.00 N ATOM 779 CA HIS A 55 -2.048 -7.553 -0.430 1.00 0.00 C ATOM 780 C HIS A 55 -0.651 -7.274 -0.975 1.00 0.00 C ATOM 781 O HIS A 55 -0.342 -7.609 -2.119 1.00 0.00 O ATOM 782 CB HIS A 55 -2.463 -8.986 -0.766 1.00 0.00 C ATOM 783 CG HIS A 55 -1.569 -10.025 -0.164 1.00 0.00 C ATOM 784 ND1 HIS A 55 -1.544 -11.336 -0.592 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.662 -9.941 0.837 1.00 0.00 C ATOM 786 CE1 HIS A 55 -0.662 -12.013 0.122 1.00 0.00 C ATOM 787 NE2 HIS A 55 -0.113 -11.189 0.996 1.00 0.00 N ATOM 0 H HIS A 55 -3.843 -7.036 -1.384 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.026 -7.434 0.653 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.483 -9.151 -0.419 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.471 -9.109 -1.849 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.416 -9.056 1.405 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.430 -13.062 0.010 1.00 0.00 H new ATOM 0 HE2 HIS A 55 0.603 -11.439 1.678 1.00 0.00 H new ATOM 796 N LEU A 56 0.189 -6.659 -0.149 1.00 0.00 N ATOM 797 CA LEU A 56 1.554 -6.334 -0.549 1.00 0.00 C ATOM 798 C LEU A 56 2.289 -7.578 -1.037 1.00 0.00 C ATOM 799 O LEU A 56 2.279 -8.617 -0.375 1.00 0.00 O ATOM 800 CB LEU A 56 2.313 -5.706 0.621 1.00 0.00 C ATOM 801 CG LEU A 56 3.337 -4.631 0.257 1.00 0.00 C ATOM 802 CD1 LEU A 56 2.696 -3.252 0.282 1.00 0.00 C ATOM 803 CD2 LEU A 56 4.527 -4.685 1.203 1.00 0.00 C ATOM 0 H LEU A 56 -0.051 -6.376 0.801 1.00 0.00 H new ATOM 0 HA LEU A 56 1.505 -5.618 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.587 -5.270 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.827 -6.500 1.163 1.00 0.00 H new ATOM 0 HG LEU A 56 3.694 -4.825 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.440 -2.500 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.878 -3.218 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.310 -3.048 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.245 -3.913 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.187 -4.518 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.002 -5.663 1.134 1.00 0.00 H new ATOM 815 N ILE A 57 2.927 -7.465 -2.197 1.00 0.00 N ATOM 816 CA ILE A 57 3.670 -8.580 -2.772 1.00 0.00 C ATOM 817 C ILE A 57 5.166 -8.433 -2.516 1.00 0.00 C ATOM 818 O ILE A 57 5.820 -9.366 -2.052 1.00 0.00 O ATOM 819 CB ILE A 57 3.429 -8.694 -4.289 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.937 -8.868 -4.578 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.225 -9.856 -4.865 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.377 -10.188 -4.096 1.00 0.00 C ATOM 0 H ILE A 57 2.944 -6.613 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 57 3.308 -9.486 -2.286 1.00 0.00 H new ATOM 0 HB ILE A 57 3.768 -7.775 -4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.387 -8.055 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.771 -8.783 -5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.045 -9.924 -5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.288 -9.694 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.914 -10.784 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.315 -10.242 -4.335 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.901 -11.007 -4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.511 -10.268 -3.017 1.00 0.00 H new ATOM 834 N GLU A 58 5.700 -7.254 -2.819 1.00 0.00 N ATOM 835 CA GLU A 58 7.120 -6.985 -2.621 1.00 0.00 C ATOM 836 C GLU A 58 7.375 -5.488 -2.473 1.00 0.00 C ATOM 837 O GLU A 58 6.466 -4.673 -2.635 1.00 0.00 O ATOM 838 CB GLU A 58 7.935 -7.539 -3.791 1.00 0.00 C ATOM 839 CG GLU A 58 7.443 -7.072 -5.150 1.00 0.00 C ATOM 840 CD GLU A 58 7.895 -5.663 -5.482 1.00 0.00 C ATOM 841 OE1 GLU A 58 9.109 -5.463 -5.692 1.00 0.00 O ATOM 842 OE2 GLU A 58 7.032 -4.761 -5.530 1.00 0.00 O ATOM 0 H GLU A 58 5.171 -6.470 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 58 7.433 -7.482 -1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.977 -7.243 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.908 -8.628 -3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.805 -7.756 -5.918 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.354 -7.115 -5.172 1.00 0.00 H new ATOM 849 N VAL A 59 8.617 -5.133 -2.162 1.00 0.00 N ATOM 850 CA VAL A 59 8.993 -3.735 -1.992 1.00 0.00 C ATOM 851 C VAL A 59 10.379 -3.464 -2.567 1.00 0.00 C ATOM 852 O VAL A 59 11.383 -3.949 -2.047 1.00 0.00 O ATOM 853 CB VAL A 59 8.976 -3.325 -0.508 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.487 -1.902 -0.340 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.576 -3.469 0.068 1.00 0.00 C ATOM 0 H VAL A 59 9.381 -5.795 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 59 8.256 -3.142 -2.533 1.00 0.00 H new ATOM 0 HB VAL A 59 9.641 -3.991 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.467 -1.631 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.509 -1.836 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.851 -1.218 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.582 -3.175 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.888 -2.829 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.253 -4.507 -0.016 1.00 0.00 H new ATOM 865 N ASN A 60 10.426 -2.687 -3.644 1.00 0.00 N ATOM 866 CA ASN A 60 11.690 -2.352 -4.290 1.00 0.00 C ATOM 867 C ASN A 60 12.305 -3.581 -4.953 1.00 0.00 C ATOM 868 O ASN A 60 13.525 -3.698 -5.058 1.00 0.00 O ATOM 869 CB ASN A 60 12.668 -1.765 -3.271 1.00 0.00 C ATOM 870 CG ASN A 60 12.048 -0.653 -2.447 1.00 0.00 C ATOM 871 OD1 ASN A 60 11.417 0.256 -2.987 1.00 0.00 O ATOM 872 ND2 ASN A 60 12.225 -0.721 -1.133 1.00 0.00 N ATOM 0 H ASN A 60 9.604 -2.278 -4.088 1.00 0.00 H new ATOM 0 HA ASN A 60 11.489 -1.608 -5.061 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.014 -2.556 -2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.545 -1.381 -3.793 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.831 -0.001 -0.527 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.755 -1.493 -0.729 1.00 0.00 H new ATOM 879 N GLY A 61 11.449 -4.495 -5.400 1.00 0.00 N ATOM 880 CA GLY A 61 11.927 -5.703 -6.048 1.00 0.00 C ATOM 881 C GLY A 61 12.390 -6.750 -5.054 1.00 0.00 C ATOM 882 O GLY A 61 13.461 -7.335 -5.214 1.00 0.00 O ATOM 0 H GLY A 61 10.434 -4.421 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.131 -6.120 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.751 -5.452 -6.716 1.00 0.00 H new ATOM 886 N GLU A 62 11.583 -6.984 -4.024 1.00 0.00 N ATOM 887 CA GLU A 62 11.918 -7.966 -3.000 1.00 0.00 C ATOM 888 C GLU A 62 10.656 -8.572 -2.393 1.00 0.00 C ATOM 889 O GLU A 62 9.857 -7.874 -1.771 1.00 0.00 O ATOM 890 CB GLU A 62 12.766 -7.320 -1.901 1.00 0.00 C ATOM 891 CG GLU A 62 12.980 -8.215 -0.692 1.00 0.00 C ATOM 892 CD GLU A 62 14.223 -9.075 -0.816 1.00 0.00 C ATOM 893 OE1 GLU A 62 14.231 -9.988 -1.667 1.00 0.00 O ATOM 894 OE2 GLU A 62 15.187 -8.834 -0.060 1.00 0.00 O ATOM 0 H GLU A 62 10.693 -6.507 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 62 12.492 -8.763 -3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.736 -7.046 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.285 -6.397 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.057 -7.598 0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.109 -8.858 -0.562 1.00 0.00 H new ATOM 901 N ASN A 63 10.485 -9.877 -2.579 1.00 0.00 N ATOM 902 CA ASN A 63 9.320 -10.578 -2.052 1.00 0.00 C ATOM 903 C ASN A 63 9.139 -10.290 -0.565 1.00 0.00 C ATOM 904 O ASN A 63 9.959 -10.693 0.261 1.00 0.00 O ATOM 905 CB ASN A 63 9.460 -12.084 -2.278 1.00 0.00 C ATOM 906 CG ASN A 63 8.327 -12.871 -1.647 1.00 0.00 C ATOM 907 OD1 ASN A 63 8.557 -13.780 -0.849 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.096 -12.525 -2.004 1.00 0.00 N ATOM 0 H ASN A 63 11.138 -10.470 -3.091 1.00 0.00 H new ATOM 0 HA ASN A 63 8.439 -10.218 -2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.488 -12.287 -3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.409 -12.424 -1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.294 -13.019 -1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.952 -11.765 -2.669 1.00 0.00 H new ATOM 915 N VAL A 64 8.060 -9.590 -0.230 1.00 0.00 N ATOM 916 CA VAL A 64 7.769 -9.249 1.158 1.00 0.00 C ATOM 917 C VAL A 64 6.359 -9.680 1.546 1.00 0.00 C ATOM 918 O VAL A 64 5.751 -9.105 2.448 1.00 0.00 O ATOM 919 CB VAL A 64 7.920 -7.737 1.408 1.00 0.00 C ATOM 920 CG1 VAL A 64 9.219 -7.223 0.807 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.726 -6.983 0.842 1.00 0.00 C ATOM 0 H VAL A 64 7.372 -9.248 -0.901 1.00 0.00 H new ATOM 0 HA VAL A 64 8.491 -9.785 1.774 1.00 0.00 H new ATOM 0 HB VAL A 64 7.953 -7.565 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.308 -6.153 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.062 -7.742 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.220 -7.405 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.849 -5.916 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.660 -7.160 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.813 -7.332 1.324 1.00 0.00 H new ATOM 931 N GLU A 65 5.846 -10.695 0.859 1.00 0.00 N ATOM 932 CA GLU A 65 4.507 -11.203 1.132 1.00 0.00 C ATOM 933 C GLU A 65 4.414 -11.757 2.551 1.00 0.00 C ATOM 934 O GLU A 65 3.447 -11.498 3.268 1.00 0.00 O ATOM 935 CB GLU A 65 4.133 -12.290 0.123 1.00 0.00 C ATOM 936 CG GLU A 65 3.544 -11.746 -1.167 1.00 0.00 C ATOM 937 CD GLU A 65 2.705 -12.772 -1.904 1.00 0.00 C ATOM 938 OE1 GLU A 65 3.290 -13.713 -2.481 1.00 0.00 O ATOM 939 OE2 GLU A 65 1.464 -12.635 -1.904 1.00 0.00 O ATOM 0 H GLU A 65 6.337 -11.182 0.109 1.00 0.00 H new ATOM 0 HA GLU A 65 3.806 -10.374 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.021 -12.877 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.415 -12.969 0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.930 -10.874 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.352 -11.408 -1.817 1.00 0.00 H new ATOM 946 N ASP A 66 5.426 -12.521 2.949 1.00 0.00 N ATOM 947 CA ASP A 66 5.460 -13.112 4.282 1.00 0.00 C ATOM 948 C ASP A 66 6.272 -12.246 5.239 1.00 0.00 C ATOM 949 O ASP A 66 6.350 -12.530 6.434 1.00 0.00 O ATOM 950 CB ASP A 66 6.051 -14.521 4.223 1.00 0.00 C ATOM 951 CG ASP A 66 7.214 -14.621 3.255 1.00 0.00 C ATOM 952 OD1 ASP A 66 6.972 -14.901 2.063 1.00 0.00 O ATOM 953 OD2 ASP A 66 8.368 -14.420 3.691 1.00 0.00 O ATOM 0 H ASP A 66 6.233 -12.745 2.368 1.00 0.00 H new ATOM 0 HA ASP A 66 4.437 -13.171 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.384 -14.814 5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.274 -15.226 3.927 1.00 0.00 H new ATOM 958 N ALA A 67 6.876 -11.189 4.706 1.00 0.00 N ATOM 959 CA ALA A 67 7.681 -10.281 5.514 1.00 0.00 C ATOM 960 C ALA A 67 6.805 -9.448 6.443 1.00 0.00 C ATOM 961 O ALA A 67 5.662 -9.130 6.114 1.00 0.00 O ATOM 962 CB ALA A 67 8.513 -9.375 4.618 1.00 0.00 C ATOM 0 H ALA A 67 6.823 -10.940 3.718 1.00 0.00 H new ATOM 0 HA ALA A 67 8.351 -10.880 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.109 -8.702 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.174 -9.982 4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.852 -8.791 3.977 1.00 0.00 H new ATOM 968 N SER A 68 7.347 -9.098 7.605 1.00 0.00 N ATOM 969 CA SER A 68 6.612 -8.306 8.584 1.00 0.00 C ATOM 970 C SER A 68 6.708 -6.818 8.261 1.00 0.00 C ATOM 971 O SER A 68 7.578 -6.391 7.502 1.00 0.00 O ATOM 972 CB SER A 68 7.150 -8.570 9.992 1.00 0.00 C ATOM 973 OG SER A 68 6.745 -9.844 10.462 1.00 0.00 O ATOM 0 H SER A 68 8.293 -9.351 7.891 1.00 0.00 H new ATOM 0 HA SER A 68 5.564 -8.602 8.542 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.238 -8.510 9.986 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.792 -7.797 10.672 1.00 0.00 H new ATOM 0 HG SER A 68 7.103 -9.989 11.363 1.00 0.00 H new ATOM 979 N HIS A 69 5.807 -6.034 8.843 1.00 0.00 N ATOM 980 CA HIS A 69 5.789 -4.593 8.619 1.00 0.00 C ATOM 981 C HIS A 69 7.164 -3.985 8.876 1.00 0.00 C ATOM 982 O HIS A 69 7.637 -3.148 8.108 1.00 0.00 O ATOM 983 CB HIS A 69 4.748 -3.928 9.520 1.00 0.00 C ATOM 984 CG HIS A 69 4.536 -2.476 9.220 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.641 -1.687 9.912 1.00 0.00 N ATOM 986 CD2 HIS A 69 5.109 -1.670 8.297 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.673 -0.459 9.427 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.556 -0.422 8.445 1.00 0.00 N ATOM 0 H HIS A 69 5.080 -6.372 9.473 1.00 0.00 H new ATOM 0 HA HIS A 69 5.523 -4.416 7.577 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.799 -4.454 9.415 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.058 -4.034 10.559 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.047 -2.003 10.679 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.862 -1.955 7.577 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.079 0.373 9.774 1.00 0.00 H new ATOM 997 N GLU A 70 7.801 -4.413 9.962 1.00 0.00 N ATOM 998 CA GLU A 70 9.122 -3.910 10.321 1.00 0.00 C ATOM 999 C GLU A 70 10.120 -4.150 9.192 1.00 0.00 C ATOM 1000 O GLU A 70 10.975 -3.308 8.917 1.00 0.00 O ATOM 1001 CB GLU A 70 9.616 -4.579 11.605 1.00 0.00 C ATOM 1002 CG GLU A 70 9.001 -4.002 12.868 1.00 0.00 C ATOM 1003 CD GLU A 70 9.102 -2.490 12.928 1.00 0.00 C ATOM 1004 OE1 GLU A 70 10.236 -1.969 12.892 1.00 0.00 O ATOM 1005 OE2 GLU A 70 8.046 -1.828 13.010 1.00 0.00 O ATOM 0 H GLU A 70 7.424 -5.106 10.608 1.00 0.00 H new ATOM 0 HA GLU A 70 9.041 -2.836 10.489 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.394 -5.645 11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.700 -4.481 11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.953 -4.295 12.924 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.498 -4.430 13.738 1.00 0.00 H new ATOM 1012 N GLU A 71 10.004 -5.304 8.543 1.00 0.00 N ATOM 1013 CA GLU A 71 10.898 -5.655 7.445 1.00 0.00 C ATOM 1014 C GLU A 71 10.672 -4.739 6.245 1.00 0.00 C ATOM 1015 O GLU A 71 11.622 -4.316 5.586 1.00 0.00 O ATOM 1016 CB GLU A 71 10.687 -7.113 7.033 1.00 0.00 C ATOM 1017 CG GLU A 71 11.264 -8.114 8.020 1.00 0.00 C ATOM 1018 CD GLU A 71 12.777 -8.198 7.948 1.00 0.00 C ATOM 1019 OE1 GLU A 71 13.295 -8.661 6.910 1.00 0.00 O ATOM 1020 OE2 GLU A 71 13.441 -7.803 8.928 1.00 0.00 O ATOM 0 H GLU A 71 9.301 -6.011 8.758 1.00 0.00 H new ATOM 0 HA GLU A 71 11.924 -5.527 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.619 -7.299 6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.142 -7.275 6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.967 -7.835 9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.839 -9.098 7.824 1.00 0.00 H new ATOM 1027 N VAL A 72 9.408 -4.436 5.969 1.00 0.00 N ATOM 1028 CA VAL A 72 9.056 -3.570 4.850 1.00 0.00 C ATOM 1029 C VAL A 72 9.421 -2.119 5.142 1.00 0.00 C ATOM 1030 O VAL A 72 10.245 -1.523 4.449 1.00 0.00 O ATOM 1031 CB VAL A 72 7.553 -3.654 4.526 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.182 -2.652 3.443 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.177 -5.068 4.106 1.00 0.00 C ATOM 0 H VAL A 72 8.610 -4.777 6.505 1.00 0.00 H new ATOM 0 HA VAL A 72 9.626 -3.919 3.989 1.00 0.00 H new ATOM 0 HB VAL A 72 6.991 -3.404 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.116 -2.727 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.413 -1.643 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.751 -2.867 2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.111 -5.109 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.746 -5.348 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.404 -5.761 4.916 1.00 0.00 H new ATOM 1043 N VAL A 73 8.801 -1.555 6.174 1.00 0.00 N ATOM 1044 CA VAL A 73 9.062 -0.173 6.560 1.00 0.00 C ATOM 1045 C VAL A 73 10.550 0.149 6.480 1.00 0.00 C ATOM 1046 O VAL A 73 10.941 1.197 5.968 1.00 0.00 O ATOM 1047 CB VAL A 73 8.562 0.114 7.989 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.297 -0.755 8.997 1.00 0.00 C ATOM 1049 CG2 VAL A 73 8.726 1.589 8.324 1.00 0.00 C ATOM 0 H VAL A 73 8.115 -2.034 6.758 1.00 0.00 H new ATOM 0 HA VAL A 73 8.519 0.460 5.858 1.00 0.00 H new ATOM 0 HB VAL A 73 7.501 -0.131 8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.930 -0.538 10.000 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.123 -1.806 8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.365 -0.545 8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.368 1.774 9.337 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.779 1.863 8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.149 2.188 7.620 1.00 0.00 H new ATOM 1059 N GLU A 74 11.375 -0.761 6.989 1.00 0.00 N ATOM 1060 CA GLU A 74 12.821 -0.573 6.975 1.00 0.00 C ATOM 1061 C GLU A 74 13.364 -0.642 5.551 1.00 0.00 C ATOM 1062 O GLU A 74 14.334 0.036 5.210 1.00 0.00 O ATOM 1063 CB GLU A 74 13.503 -1.630 7.845 1.00 0.00 C ATOM 1064 CG GLU A 74 13.639 -1.224 9.303 1.00 0.00 C ATOM 1065 CD GLU A 74 14.351 -2.271 10.137 1.00 0.00 C ATOM 1066 OE1 GLU A 74 13.915 -3.441 10.119 1.00 0.00 O ATOM 1067 OE2 GLU A 74 15.345 -1.920 10.807 1.00 0.00 O ATOM 0 H GLU A 74 11.067 -1.635 7.416 1.00 0.00 H new ATOM 0 HA GLU A 74 13.038 0.415 7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.934 -2.558 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.494 -1.837 7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.185 -0.283 9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.648 -1.045 9.720 1.00 0.00 H new ATOM 1074 N LYS A 75 12.733 -1.467 4.722 1.00 0.00 N ATOM 1075 CA LYS A 75 13.151 -1.626 3.335 1.00 0.00 C ATOM 1076 C LYS A 75 12.761 -0.407 2.506 1.00 0.00 C ATOM 1077 O LYS A 75 13.343 -0.148 1.452 1.00 0.00 O ATOM 1078 CB LYS A 75 12.524 -2.886 2.733 1.00 0.00 C ATOM 1079 CG LYS A 75 13.189 -4.174 3.189 1.00 0.00 C ATOM 1080 CD LYS A 75 12.311 -5.383 2.915 1.00 0.00 C ATOM 1081 CE LYS A 75 13.142 -6.638 2.700 1.00 0.00 C ATOM 1082 NZ LYS A 75 13.564 -7.251 3.990 1.00 0.00 N ATOM 0 H LYS A 75 11.929 -2.036 4.988 1.00 0.00 H new ATOM 0 HA LYS A 75 14.237 -1.723 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.467 -2.919 2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.577 -2.824 1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.143 -4.293 2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.405 -4.115 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.629 -5.536 3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.697 -5.196 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.564 -7.362 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.024 -6.393 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.128 -8.104 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.137 -6.569 4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.722 -7.509 4.544 1.00 0.00 H new ATOM 1096 N VAL A 76 11.773 0.340 2.989 1.00 0.00 N ATOM 1097 CA VAL A 76 11.308 1.534 2.294 1.00 0.00 C ATOM 1098 C VAL A 76 12.196 2.733 2.606 1.00 0.00 C ATOM 1099 O VAL A 76 12.902 3.241 1.734 1.00 0.00 O ATOM 1100 CB VAL A 76 9.854 1.874 2.673 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.391 3.127 1.946 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.936 0.700 2.367 1.00 0.00 C ATOM 0 H VAL A 76 11.279 0.139 3.859 1.00 0.00 H new ATOM 0 HA VAL A 76 11.357 1.317 1.227 1.00 0.00 H new ATOM 0 HB VAL A 76 9.812 2.069 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.362 3.351 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.032 3.965 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.446 2.965 0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.913 0.957 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.980 0.471 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.256 -0.171 2.939 1.00 0.00 H new ATOM 1112 N LYS A 77 12.157 3.182 3.856 1.00 0.00 N ATOM 1113 CA LYS A 77 12.959 4.321 4.286 1.00 0.00 C ATOM 1114 C LYS A 77 14.403 4.179 3.814 1.00 0.00 C ATOM 1115 O LYS A 77 15.035 5.156 3.412 1.00 0.00 O ATOM 1116 CB LYS A 77 12.920 4.452 5.810 1.00 0.00 C ATOM 1117 CG LYS A 77 13.203 3.151 6.540 1.00 0.00 C ATOM 1118 CD LYS A 77 12.538 3.122 7.906 1.00 0.00 C ATOM 1119 CE LYS A 77 12.929 4.330 8.742 1.00 0.00 C ATOM 1120 NZ LYS A 77 14.225 4.122 9.445 1.00 0.00 N ATOM 0 H LYS A 77 11.578 2.774 4.590 1.00 0.00 H new ATOM 0 HA LYS A 77 12.536 5.221 3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.650 5.199 6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.939 4.821 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.846 2.312 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.279 3.024 6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.455 3.098 7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.820 2.209 8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.001 5.208 8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.147 4.533 9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.456 4.968 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.149 3.299 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.976 3.953 8.746 1.00 0.00 H new ATOM 1134 N LYS A 78 14.919 2.955 3.865 1.00 0.00 N ATOM 1135 CA LYS A 78 16.287 2.683 3.440 1.00 0.00 C ATOM 1136 C LYS A 78 16.415 2.776 1.923 1.00 0.00 C ATOM 1137 O LYS A 78 17.446 3.200 1.402 1.00 0.00 O ATOM 1138 CB LYS A 78 16.725 1.296 3.916 1.00 0.00 C ATOM 1139 CG LYS A 78 17.015 1.228 5.405 1.00 0.00 C ATOM 1140 CD LYS A 78 17.854 0.010 5.755 1.00 0.00 C ATOM 1141 CE LYS A 78 17.000 -1.245 5.852 1.00 0.00 C ATOM 1142 NZ LYS A 78 17.823 -2.458 6.115 1.00 0.00 N ATOM 0 H LYS A 78 14.410 2.136 4.197 1.00 0.00 H new ATOM 0 HA LYS A 78 16.936 3.436 3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.945 0.575 3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.618 0.998 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.538 2.132 5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.076 1.196 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.626 -0.131 4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.364 0.178 6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.266 -1.124 6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.444 -1.378 4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.204 -3.292 6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.506 -2.588 5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.335 -2.342 7.013 1.00 0.00 H new ATOM 1156 N SER A 79 15.360 2.376 1.220 1.00 0.00 N ATOM 1157 CA SER A 79 15.355 2.412 -0.238 1.00 0.00 C ATOM 1158 C SER A 79 16.024 3.683 -0.753 1.00 0.00 C ATOM 1159 O SER A 79 16.728 3.663 -1.761 1.00 0.00 O ATOM 1160 CB SER A 79 13.922 2.326 -0.767 1.00 0.00 C ATOM 1161 OG SER A 79 13.266 3.578 -0.667 1.00 0.00 O ATOM 0 H SER A 79 14.498 2.023 1.636 1.00 0.00 H new ATOM 0 HA SER A 79 15.920 1.553 -0.599 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.934 2.000 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.367 1.575 -0.204 1.00 0.00 H new ATOM 0 HG SER A 79 13.055 3.762 0.272 1.00 0.00 H new ATOM 1167 N GLY A 80 15.797 4.789 -0.050 1.00 0.00 N ATOM 1168 CA GLY A 80 16.383 6.055 -0.451 1.00 0.00 C ATOM 1169 C GLY A 80 15.347 7.150 -0.608 1.00 0.00 C ATOM 1170 O GLY A 80 14.966 7.798 0.367 1.00 0.00 O ATOM 0 H GLY A 80 15.218 4.831 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.121 6.361 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.914 5.924 -1.394 1.00 0.00 H new ATOM 1174 N SER A 81 14.891 7.359 -1.838 1.00 0.00 N ATOM 1175 CA SER A 81 13.896 8.387 -2.121 1.00 0.00 C ATOM 1176 C SER A 81 12.676 7.788 -2.813 1.00 0.00 C ATOM 1177 O SER A 81 11.537 8.097 -2.464 1.00 0.00 O ATOM 1178 CB SER A 81 14.503 9.487 -2.994 1.00 0.00 C ATOM 1179 OG SER A 81 15.175 10.453 -2.205 1.00 0.00 O ATOM 0 H SER A 81 15.195 6.830 -2.656 1.00 0.00 H new ATOM 0 HA SER A 81 13.577 8.819 -1.173 1.00 0.00 H new ATOM 0 HB2 SER A 81 15.200 9.046 -3.707 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.717 9.970 -3.574 1.00 0.00 H new ATOM 0 HG SER A 81 15.555 11.144 -2.787 1.00 0.00 H new ATOM 1185 N ARG A 82 12.924 6.928 -3.796 1.00 0.00 N ATOM 1186 CA ARG A 82 11.847 6.285 -4.539 1.00 0.00 C ATOM 1187 C ARG A 82 11.756 4.802 -4.190 1.00 0.00 C ATOM 1188 O ARG A 82 12.730 4.198 -3.741 1.00 0.00 O ATOM 1189 CB ARG A 82 12.065 6.454 -6.043 1.00 0.00 C ATOM 1190 CG ARG A 82 12.353 7.888 -6.460 1.00 0.00 C ATOM 1191 CD ARG A 82 13.238 7.942 -7.694 1.00 0.00 C ATOM 1192 NE ARG A 82 12.514 7.562 -8.905 1.00 0.00 N ATOM 1193 CZ ARG A 82 12.890 7.918 -10.128 1.00 0.00 C ATOM 1194 NH1 ARG A 82 13.976 8.658 -10.302 1.00 0.00 N ATOM 1195 NH2 ARG A 82 12.179 7.533 -11.180 1.00 0.00 N ATOM 0 H ARG A 82 13.861 6.661 -4.096 1.00 0.00 H new ATOM 0 HA ARG A 82 10.909 6.765 -4.259 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.895 5.820 -6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.179 6.102 -6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.415 8.405 -6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.838 8.416 -5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.636 8.950 -7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.091 7.277 -7.558 1.00 0.00 H new ATOM 0 HE ARG A 82 11.674 6.992 -8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.525 8.955 -9.495 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.263 8.930 -11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.343 6.963 -11.050 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.468 7.807 -12.119 1.00 0.00 H new ATOM 1209 N VAL A 83 10.579 4.221 -4.401 1.00 0.00 N ATOM 1210 CA VAL A 83 10.361 2.809 -4.110 1.00 0.00 C ATOM 1211 C VAL A 83 9.431 2.174 -5.138 1.00 0.00 C ATOM 1212 O VAL A 83 8.840 2.866 -5.967 1.00 0.00 O ATOM 1213 CB VAL A 83 9.765 2.612 -2.704 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.850 2.719 -1.644 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.656 3.622 -2.448 1.00 0.00 C ATOM 0 H VAL A 83 9.762 4.706 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 83 11.335 2.322 -4.155 1.00 0.00 H new ATOM 0 HB VAL A 83 9.334 1.612 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.410 2.577 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.605 1.953 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.314 3.704 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.247 3.468 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.059 4.632 -2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.867 3.491 -3.188 1.00 0.00 H new ATOM 1225 N MET A 84 9.306 0.852 -5.078 1.00 0.00 N ATOM 1226 CA MET A 84 8.446 0.123 -6.003 1.00 0.00 C ATOM 1227 C MET A 84 7.546 -0.853 -5.253 1.00 0.00 C ATOM 1228 O MET A 84 8.011 -1.867 -4.731 1.00 0.00 O ATOM 1229 CB MET A 84 9.291 -0.630 -7.032 1.00 0.00 C ATOM 1230 CG MET A 84 8.495 -1.627 -7.858 1.00 0.00 C ATOM 1231 SD MET A 84 9.539 -2.878 -8.632 1.00 0.00 S ATOM 1232 CE MET A 84 10.680 -1.846 -9.549 1.00 0.00 C ATOM 0 H MET A 84 9.789 0.264 -4.399 1.00 0.00 H new ATOM 0 HA MET A 84 7.815 0.846 -6.521 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.761 0.090 -7.701 1.00 0.00 H new ATOM 0 HB3 MET A 84 10.094 -1.157 -6.516 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.760 -2.117 -7.220 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.941 -1.093 -8.630 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.250 -2.462 -10.244 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.122 -1.092 -10.105 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.363 -1.354 -8.856 1.00 0.00 H new ATOM 1242 N PHE A 85 6.255 -0.542 -5.204 1.00 0.00 N ATOM 1243 CA PHE A 85 5.289 -1.392 -4.517 1.00 0.00 C ATOM 1244 C PHE A 85 4.437 -2.167 -5.518 1.00 0.00 C ATOM 1245 O PHE A 85 3.810 -1.581 -6.401 1.00 0.00 O ATOM 1246 CB PHE A 85 4.390 -0.549 -3.610 1.00 0.00 C ATOM 1247 CG PHE A 85 5.144 0.205 -2.552 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.757 -0.468 -1.507 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.240 1.586 -2.602 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.453 0.223 -0.532 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.934 2.282 -1.630 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.540 1.600 -0.594 1.00 0.00 C ATOM 0 H PHE A 85 5.853 0.292 -5.632 1.00 0.00 H new ATOM 0 HA PHE A 85 5.841 -2.107 -3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.832 0.160 -4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.659 -1.200 -3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.690 -1.545 -1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.767 2.125 -3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.928 -0.313 0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.002 3.359 -1.681 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.081 2.142 0.167 1.00 0.00 H new ATOM 1262 N LEU A 86 4.421 -3.487 -5.374 1.00 0.00 N ATOM 1263 CA LEU A 86 3.647 -4.344 -6.266 1.00 0.00 C ATOM 1264 C LEU A 86 2.519 -5.039 -5.509 1.00 0.00 C ATOM 1265 O LEU A 86 2.764 -5.841 -4.607 1.00 0.00 O ATOM 1266 CB LEU A 86 4.556 -5.387 -6.919 1.00 0.00 C ATOM 1267 CG LEU A 86 3.859 -6.429 -7.795 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.723 -5.922 -9.222 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.622 -7.746 -7.765 1.00 0.00 C ATOM 0 H LEU A 86 4.935 -3.987 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 86 3.208 -3.717 -7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.295 -4.866 -7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.101 -5.909 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 86 2.859 -6.601 -7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.225 -6.677 -9.830 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.134 -5.005 -9.228 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.712 -5.720 -9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.112 -8.476 -8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.634 -7.589 -8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.667 -8.117 -6.741 1.00 0.00 H new ATOM 1281 N LEU A 87 1.283 -4.728 -5.885 1.00 0.00 N ATOM 1282 CA LEU A 87 0.116 -5.324 -5.244 1.00 0.00 C ATOM 1283 C LEU A 87 -0.962 -5.653 -6.272 1.00 0.00 C ATOM 1284 O LEU A 87 -0.826 -5.333 -7.453 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.447 -4.377 -4.183 1.00 0.00 C ATOM 1286 CG LEU A 87 0.564 -3.453 -3.503 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.687 -2.143 -4.266 1.00 0.00 C ATOM 1288 CD2 LEU A 87 0.163 -3.195 -2.058 1.00 0.00 C ATOM 0 H LEU A 87 1.063 -4.067 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 87 0.430 -6.251 -4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.217 -3.761 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.937 -4.975 -3.414 1.00 0.00 H new ATOM 0 HG LEU A 87 1.537 -3.945 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.411 -1.498 -3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.021 -2.345 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.283 -1.646 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.894 -2.536 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.820 -2.724 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.127 -4.140 -1.516 1.00 0.00 H new ATOM 1300 N VAL A 88 -2.033 -6.293 -5.814 1.00 0.00 N ATOM 1301 CA VAL A 88 -3.136 -6.662 -6.694 1.00 0.00 C ATOM 1302 C VAL A 88 -4.451 -6.064 -6.207 1.00 0.00 C ATOM 1303 O VAL A 88 -4.594 -5.727 -5.031 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.287 -8.192 -6.793 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.183 -8.566 -7.964 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.923 -8.854 -6.922 1.00 0.00 C ATOM 0 H VAL A 88 -2.161 -6.567 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.901 -6.262 -7.681 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.756 -8.553 -5.878 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.278 -9.651 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.169 -8.122 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.746 -8.194 -8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.048 -9.935 -6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.425 -8.488 -7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.318 -8.614 -6.048 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.409 -5.935 -7.118 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.714 -5.378 -6.782 1.00 0.00 C ATOM 1318 C ASP A 89 -7.449 -6.276 -5.791 1.00 0.00 C ATOM 1319 O ASP A 89 -7.092 -7.440 -5.609 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.556 -5.195 -8.046 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.977 -4.152 -8.981 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -6.047 -4.489 -9.743 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -7.453 -2.998 -8.950 1.00 0.00 O ATOM 0 H ASP A 89 -5.306 -6.209 -8.095 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.557 -4.405 -6.316 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.631 -6.148 -8.570 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.569 -4.905 -7.766 1.00 0.00 H new ATOM 1328 N LYS A 90 -8.477 -5.727 -5.153 1.00 0.00 N ATOM 1329 CA LYS A 90 -9.264 -6.478 -4.181 1.00 0.00 C ATOM 1330 C LYS A 90 -10.340 -7.306 -4.875 1.00 0.00 C ATOM 1331 O LYS A 90 -10.639 -8.425 -4.459 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.910 -5.525 -3.173 1.00 0.00 C ATOM 1333 CG LYS A 90 -11.264 -5.996 -2.672 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.141 -7.258 -1.835 1.00 0.00 C ATOM 1335 CE LYS A 90 -12.470 -7.992 -1.733 1.00 0.00 C ATOM 1336 NZ LYS A 90 -13.334 -7.427 -0.660 1.00 0.00 N ATOM 0 H LYS A 90 -8.785 -4.764 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.593 -7.156 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.240 -5.401 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.024 -4.544 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.727 -5.208 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.922 -6.184 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.393 -7.917 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.789 -7.000 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.992 -7.933 -2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.287 -9.048 -1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.230 -7.954 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.847 -7.506 0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.529 -6.426 -0.863 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.917 -6.750 -5.936 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.959 -7.439 -6.687 1.00 0.00 C ATOM 1352 C GLU A 91 -11.434 -8.747 -7.273 1.00 0.00 C ATOM 1353 O GLU A 91 -12.142 -9.754 -7.310 1.00 0.00 O ATOM 1354 CB GLU A 91 -12.489 -6.542 -7.808 1.00 0.00 C ATOM 1355 CG GLU A 91 -13.371 -5.408 -7.314 1.00 0.00 C ATOM 1356 CD GLU A 91 -14.001 -4.622 -8.447 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -14.939 -5.145 -9.084 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -13.554 -3.483 -8.698 1.00 0.00 O ATOM 0 H GLU A 91 -10.680 -5.825 -6.294 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.773 -7.670 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.645 -6.123 -8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.055 -7.151 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.157 -5.815 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.778 -4.734 -6.696 1.00 0.00 H new