USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 545 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 9 LYS NZ :NH3+ 141:sc= 0.876 (180deg=0.53) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc=-0.00825 USER MOD Single : A 19 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.079) USER MOD Single : A 21 CYS SG : rot 180:sc= -3.22! USER MOD Single : A 24 MET CE :methyl 139:sc= -0.174 (180deg=-0.851) USER MOD Single : A 27 SER OG : rot 71:sc= 1.24 USER MOD Single : A 32 GLN : amide:sc= -3.2! C(o=-3.2!,f=-5.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= -0.0136 (180deg=-0.23) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc=-0.000248 K(o=-0.00025,f=-1.3) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 51 THR OG1 : rot 64:sc= 0.284 USER MOD Single : A 54 TYR OH : rot 23:sc= 1.21 USER MOD Single : A 55 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.4) USER MOD Single : A 65 ASN : amide:sc= -0.579 K(o=-0.58,f=-5.6!) USER MOD Single : A 68 LYS NZ :NH3+ -148:sc= -0.356 (180deg=-1.77!) USER MOD Single : A 71 CYS SG : rot 180:sc= -1.2 USER MOD Single : A 72 HIS : no HE2:sc= 0.628 K(o=0.63,f=-2.9!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 6 4.223 17.410 4.007 1.00 0.00 N ATOM 73 CA GLU A 6 4.874 16.220 3.498 1.00 0.00 C ATOM 74 C GLU A 6 3.886 15.055 3.470 1.00 0.00 C ATOM 75 O GLU A 6 3.000 14.955 4.327 1.00 0.00 O ATOM 76 CB GLU A 6 6.102 15.903 4.350 1.00 0.00 C ATOM 77 CG GLU A 6 5.774 15.535 5.783 1.00 0.00 C ATOM 78 CD GLU A 6 6.929 15.786 6.725 1.00 0.00 C ATOM 79 OE1 GLU A 6 7.072 16.939 7.195 1.00 0.00 O ATOM 80 OE2 GLU A 6 7.699 14.846 7.005 1.00 0.00 O ATOM 0 HA GLU A 6 5.210 16.391 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.649 15.080 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.766 16.767 4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.909 16.110 6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.494 14.483 5.829 1.00 0.00 H new ATOM 85 N PRO A 7 4.019 14.172 2.478 1.00 0.00 N ATOM 86 CA PRO A 7 3.044 13.118 2.223 1.00 0.00 C ATOM 87 C PRO A 7 3.225 11.906 3.129 1.00 0.00 C ATOM 88 O PRO A 7 4.179 11.827 3.908 1.00 0.00 O ATOM 89 CB PRO A 7 3.324 12.752 0.769 1.00 0.00 C ATOM 90 CG PRO A 7 4.782 12.998 0.588 1.00 0.00 C ATOM 91 CD PRO A 7 5.148 14.118 1.532 1.00 0.00 C ATOM 0 HA PRO A 7 2.023 13.447 2.416 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.071 11.711 0.567 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.732 13.362 0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.358 12.099 0.810 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.004 13.272 -0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.089 13.916 2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.270 15.063 1.002 1.00 0.00 H new ATOM 96 N ARG A 8 2.296 10.969 3.032 1.00 0.00 N ATOM 97 CA ARG A 8 2.372 9.740 3.800 1.00 0.00 C ATOM 98 C ARG A 8 2.822 8.608 2.887 1.00 0.00 C ATOM 99 O ARG A 8 2.411 8.540 1.734 1.00 0.00 O ATOM 100 CB ARG A 8 1.016 9.405 4.429 1.00 0.00 C ATOM 101 CG ARG A 8 0.344 10.586 5.115 1.00 0.00 C ATOM 102 CD ARG A 8 -0.908 10.153 5.860 1.00 0.00 C ATOM 103 NE ARG A 8 -1.779 11.279 6.197 1.00 0.00 N ATOM 104 CZ ARG A 8 -2.868 11.174 6.963 1.00 0.00 C ATOM 105 NH1 ARG A 8 -3.143 10.030 7.577 1.00 0.00 N ATOM 106 NH2 ARG A 8 -3.666 12.219 7.134 1.00 0.00 N ATOM 0 H ARG A 8 1.478 11.038 2.426 1.00 0.00 H new ATOM 0 HA ARG A 8 3.093 9.870 4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.352 9.022 3.654 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.152 8.605 5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.042 11.050 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.085 11.341 4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.462 9.440 5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.621 9.634 6.774 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.541 12.198 5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.522 9.229 7.464 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.975 9.952 8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.449 13.106 6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.497 12.136 7.720 1.00 0.00 H new ATOM 117 N LYS A 9 3.671 7.738 3.403 1.00 0.00 N ATOM 118 CA LYS A 9 4.241 6.653 2.613 1.00 0.00 C ATOM 119 C LYS A 9 3.308 5.441 2.635 1.00 0.00 C ATOM 120 O LYS A 9 2.613 5.205 3.622 1.00 0.00 O ATOM 121 CB LYS A 9 5.609 6.291 3.193 1.00 0.00 C ATOM 122 CG LYS A 9 6.636 5.862 2.166 1.00 0.00 C ATOM 123 CD LYS A 9 6.409 4.440 1.678 1.00 0.00 C ATOM 124 CE LYS A 9 7.628 3.578 1.946 1.00 0.00 C ATOM 125 NZ LYS A 9 8.844 4.101 1.263 1.00 0.00 N ATOM 0 H LYS A 9 3.985 7.759 4.373 1.00 0.00 H new ATOM 0 HA LYS A 9 4.359 6.969 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.997 7.151 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.481 5.486 3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.603 6.544 1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.633 5.940 2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.539 4.014 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.191 4.448 0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.808 3.529 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.433 2.560 1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.668 3.989 1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.002 3.571 0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.712 5.109 1.042 1.00 0.00 H new ATOM 135 N LEU A 10 3.276 4.694 1.543 1.00 0.00 N ATOM 136 CA LEU A 10 2.452 3.500 1.465 1.00 0.00 C ATOM 137 C LEU A 10 3.294 2.268 1.152 1.00 0.00 C ATOM 138 O LEU A 10 4.200 2.305 0.314 1.00 0.00 O ATOM 139 CB LEU A 10 1.362 3.676 0.407 1.00 0.00 C ATOM 140 CG LEU A 10 0.354 4.795 0.685 1.00 0.00 C ATOM 141 CD1 LEU A 10 -0.650 4.904 -0.450 1.00 0.00 C ATOM 142 CD2 LEU A 10 -0.362 4.557 2.006 1.00 0.00 C ATOM 0 H LEU A 10 3.812 4.894 0.698 1.00 0.00 H new ATOM 0 HA LEU A 10 1.983 3.351 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.839 3.870 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.819 2.736 0.309 1.00 0.00 H new ATOM 0 HG LEU A 10 0.900 5.736 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.358 5.704 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.126 5.124 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.188 3.962 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.074 5.363 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.893 3.606 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.367 4.531 2.816 1.00 0.00 H new ATOM 153 N VAL A 11 2.993 1.179 1.840 1.00 0.00 N ATOM 154 CA VAL A 11 3.685 -0.083 1.634 1.00 0.00 C ATOM 155 C VAL A 11 2.700 -1.154 1.185 1.00 0.00 C ATOM 156 O VAL A 11 1.580 -1.217 1.679 1.00 0.00 O ATOM 157 CB VAL A 11 4.400 -0.560 2.925 1.00 0.00 C ATOM 158 CG1 VAL A 11 4.891 -1.993 2.784 1.00 0.00 C ATOM 159 CG2 VAL A 11 5.562 0.357 3.270 1.00 0.00 C ATOM 0 H VAL A 11 2.265 1.144 2.554 1.00 0.00 H new ATOM 0 HA VAL A 11 4.437 0.079 0.862 1.00 0.00 H new ATOM 0 HB VAL A 11 3.673 -0.524 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.388 -2.300 3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.043 -2.651 2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.594 -2.057 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.048 0.002 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.281 0.357 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.192 1.370 3.428 1.00 0.00 H new ATOM 169 N VAL A 12 3.113 -1.980 0.243 1.00 0.00 N ATOM 170 CA VAL A 12 2.300 -3.095 -0.194 1.00 0.00 C ATOM 171 C VAL A 12 2.934 -4.410 0.244 1.00 0.00 C ATOM 172 O VAL A 12 4.032 -4.761 -0.194 1.00 0.00 O ATOM 173 CB VAL A 12 2.093 -3.093 -1.725 1.00 0.00 C ATOM 174 CG1 VAL A 12 1.442 -4.386 -2.185 1.00 0.00 C ATOM 175 CG2 VAL A 12 1.249 -1.903 -2.146 1.00 0.00 C ATOM 0 H VAL A 12 4.010 -1.898 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 12 1.321 -2.989 0.272 1.00 0.00 H new ATOM 0 HB VAL A 12 3.072 -3.014 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.307 -4.361 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.079 -5.229 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.472 -4.497 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.113 -1.918 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.276 -1.956 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.751 -0.980 -1.856 1.00 0.00 H new ATOM 185 N TYR A 13 2.257 -5.116 1.136 1.00 0.00 N ATOM 186 CA TYR A 13 2.732 -6.412 1.599 1.00 0.00 C ATOM 187 C TYR A 13 2.342 -7.498 0.608 1.00 0.00 C ATOM 188 O TYR A 13 1.193 -7.560 0.167 1.00 0.00 O ATOM 189 CB TYR A 13 2.157 -6.744 2.976 1.00 0.00 C ATOM 190 CG TYR A 13 2.645 -5.847 4.091 1.00 0.00 C ATOM 191 CD1 TYR A 13 3.962 -5.904 4.530 1.00 0.00 C ATOM 192 CD2 TYR A 13 1.783 -4.955 4.712 1.00 0.00 C ATOM 193 CE1 TYR A 13 4.406 -5.093 5.558 1.00 0.00 C ATOM 194 CE2 TYR A 13 2.219 -4.144 5.743 1.00 0.00 C ATOM 195 CZ TYR A 13 3.531 -4.215 6.162 1.00 0.00 C ATOM 196 OH TYR A 13 3.966 -3.412 7.194 1.00 0.00 O ATOM 0 H TYR A 13 1.377 -4.814 1.554 1.00 0.00 H new ATOM 0 HA TYR A 13 3.818 -6.366 1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.070 -6.682 2.926 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.407 -7.776 3.221 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.649 -6.592 4.061 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.756 -4.893 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.433 -5.147 5.886 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.535 -3.457 6.219 1.00 0.00 H new ATOM 0 HH TYR A 13 3.225 -2.852 7.507 1.00 0.00 H new ATOM 205 N GLY A 14 3.296 -8.348 0.258 1.00 0.00 N ATOM 206 CA GLY A 14 3.024 -9.413 -0.685 1.00 0.00 C ATOM 207 C GLY A 14 4.031 -10.537 -0.590 1.00 0.00 C ATOM 208 O GLY A 14 4.758 -10.648 0.397 1.00 0.00 O ATOM 0 H GLY A 14 4.253 -8.319 0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.024 -9.808 -0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.029 -9.009 -1.697 1.00 0.00 H new ATOM 212 N ARG A 15 4.066 -11.374 -1.616 1.00 0.00 N ATOM 213 CA ARG A 15 4.998 -12.490 -1.679 1.00 0.00 C ATOM 214 C ARG A 15 5.208 -12.919 -3.127 1.00 0.00 C ATOM 215 O ARG A 15 4.250 -13.264 -3.822 1.00 0.00 O ATOM 216 CB ARG A 15 4.489 -13.676 -0.849 1.00 0.00 C ATOM 217 CG ARG A 15 3.058 -14.075 -1.161 1.00 0.00 C ATOM 218 CD ARG A 15 2.776 -15.507 -0.741 1.00 0.00 C ATOM 219 NE ARG A 15 3.615 -16.462 -1.473 1.00 0.00 N ATOM 220 CZ ARG A 15 4.118 -17.580 -0.946 1.00 0.00 C ATOM 221 NH1 ARG A 15 3.833 -17.912 0.309 1.00 0.00 N ATOM 222 NH2 ARG A 15 4.894 -18.368 -1.679 1.00 0.00 N ATOM 0 H ARG A 15 3.451 -11.299 -2.426 1.00 0.00 H new ATOM 0 HA ARG A 15 5.950 -12.162 -1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.140 -14.533 -1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.564 -13.425 0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.371 -13.402 -0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.873 -13.965 -2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.952 -15.614 0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.725 -15.737 -0.916 1.00 0.00 H new ATOM 0 HE ARG A 15 3.828 -16.258 -2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.229 -17.312 0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.218 -18.767 0.710 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.106 -18.119 -2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.279 -19.223 -1.276 1.00 0.00 H new ATOM 233 N GLU A 16 6.461 -12.872 -3.573 1.00 0.00 N ATOM 234 CA GLU A 16 6.835 -13.280 -4.929 1.00 0.00 C ATOM 235 C GLU A 16 6.149 -12.409 -5.986 1.00 0.00 C ATOM 236 O GLU A 16 5.531 -11.389 -5.666 1.00 0.00 O ATOM 237 CB GLU A 16 6.508 -14.764 -5.155 1.00 0.00 C ATOM 238 CG GLU A 16 7.154 -15.688 -4.134 1.00 0.00 C ATOM 239 CD GLU A 16 6.907 -17.151 -4.429 1.00 0.00 C ATOM 240 OE1 GLU A 16 5.802 -17.650 -4.125 1.00 0.00 O ATOM 241 OE2 GLU A 16 7.828 -17.819 -4.942 1.00 0.00 O ATOM 0 H GLU A 16 7.246 -12.551 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 16 7.911 -13.140 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.427 -14.899 -5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.836 -15.053 -6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.228 -15.503 -4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.769 -15.452 -3.142 1.00 0.00 H new ATOM 246 N GLY A 17 6.277 -12.801 -7.245 1.00 0.00 N ATOM 247 CA GLY A 17 5.670 -12.046 -8.319 1.00 0.00 C ATOM 248 C GLY A 17 4.224 -12.434 -8.546 1.00 0.00 C ATOM 249 O GLY A 17 3.942 -13.437 -9.204 1.00 0.00 O ATOM 0 H GLY A 17 6.792 -13.630 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.727 -10.982 -8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.235 -12.205 -9.237 1.00 0.00 H new ATOM 253 N CYS A 18 3.310 -11.650 -7.988 1.00 0.00 N ATOM 254 CA CYS A 18 1.884 -11.874 -8.175 1.00 0.00 C ATOM 255 C CYS A 18 1.301 -10.797 -9.086 1.00 0.00 C ATOM 256 O CYS A 18 1.700 -9.632 -9.011 1.00 0.00 O ATOM 257 CB CYS A 18 1.168 -11.873 -6.820 1.00 0.00 C ATOM 258 SG CYS A 18 -0.635 -12.002 -6.925 1.00 0.00 S ATOM 0 H CYS A 18 3.534 -10.848 -7.399 1.00 0.00 H new ATOM 0 HA CYS A 18 1.736 -12.846 -8.645 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.545 -12.703 -6.223 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.424 -10.956 -6.288 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.141 -11.995 -5.728 1.00 0.00 H new ATOM 263 N HIS A 19 0.364 -11.187 -9.945 1.00 0.00 N ATOM 264 CA HIS A 19 -0.249 -10.255 -10.885 1.00 0.00 C ATOM 265 C HIS A 19 -0.956 -9.113 -10.174 1.00 0.00 C ATOM 266 O HIS A 19 -0.805 -7.959 -10.563 1.00 0.00 O ATOM 267 CB HIS A 19 -1.224 -10.977 -11.816 1.00 0.00 C ATOM 268 CG HIS A 19 -0.604 -11.389 -13.115 1.00 0.00 C ATOM 269 ND1 HIS A 19 -1.337 -11.793 -14.208 1.00 0.00 N ATOM 270 CD2 HIS A 19 0.691 -11.446 -13.493 1.00 0.00 C ATOM 271 CE1 HIS A 19 -0.518 -12.077 -15.201 1.00 0.00 C ATOM 272 NE2 HIS A 19 0.721 -11.874 -14.794 1.00 0.00 N ATOM 0 H HIS A 19 0.013 -12.142 -10.009 1.00 0.00 H new ATOM 0 HA HIS A 19 0.559 -9.830 -11.481 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.613 -11.861 -11.310 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.074 -10.325 -12.017 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.546 -11.199 -12.882 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.811 -12.418 -16.183 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.561 -12.013 -15.355 1.00 0.00 H new ATOM 279 N LEU A 20 -1.713 -9.426 -9.128 1.00 0.00 N ATOM 280 CA LEU A 20 -2.430 -8.397 -8.379 1.00 0.00 C ATOM 281 C LEU A 20 -1.472 -7.356 -7.820 1.00 0.00 C ATOM 282 O LEU A 20 -1.803 -6.172 -7.763 1.00 0.00 O ATOM 283 CB LEU A 20 -3.262 -9.009 -7.252 1.00 0.00 C ATOM 284 CG LEU A 20 -4.490 -9.798 -7.710 1.00 0.00 C ATOM 285 CD1 LEU A 20 -5.285 -10.292 -6.510 1.00 0.00 C ATOM 286 CD2 LEU A 20 -5.363 -8.941 -8.614 1.00 0.00 C ATOM 0 H LEU A 20 -1.846 -10.376 -8.781 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.108 -7.903 -9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.623 -9.669 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.590 -8.210 -6.587 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.153 -10.665 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.155 -10.851 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.656 -10.940 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.614 -9.440 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.233 -9.516 -8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.692 -8.056 -8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.790 -8.636 -9.490 1.00 0.00 H new ATOM 297 N CYS A 21 -0.282 -7.794 -7.425 1.00 0.00 N ATOM 298 CA CYS A 21 0.744 -6.874 -6.956 1.00 0.00 C ATOM 299 C CYS A 21 1.138 -5.917 -8.080 1.00 0.00 C ATOM 300 O CYS A 21 1.136 -4.702 -7.898 1.00 0.00 O ATOM 301 CB CYS A 21 1.971 -7.643 -6.460 1.00 0.00 C ATOM 302 SG CYS A 21 1.638 -8.755 -5.076 1.00 0.00 S ATOM 0 H CYS A 21 -0.006 -8.776 -7.420 1.00 0.00 H new ATOM 0 HA CYS A 21 0.341 -6.297 -6.123 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.381 -8.223 -7.287 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.738 -6.928 -6.161 1.00 0.00 H new ATOM 0 HG CYS A 21 2.736 -9.360 -4.731 1.00 0.00 H new ATOM 307 N GLU A 22 1.433 -6.482 -9.248 1.00 0.00 N ATOM 308 CA GLU A 22 1.822 -5.697 -10.417 1.00 0.00 C ATOM 309 C GLU A 22 0.725 -4.713 -10.815 1.00 0.00 C ATOM 310 O GLU A 22 1.004 -3.547 -11.110 1.00 0.00 O ATOM 311 CB GLU A 22 2.135 -6.625 -11.591 1.00 0.00 C ATOM 312 CG GLU A 22 3.373 -7.480 -11.383 1.00 0.00 C ATOM 313 CD GLU A 22 4.641 -6.655 -11.308 1.00 0.00 C ATOM 314 OE1 GLU A 22 5.080 -6.141 -12.357 1.00 0.00 O ATOM 315 OE2 GLU A 22 5.207 -6.522 -10.206 1.00 0.00 O ATOM 0 H GLU A 22 1.410 -7.489 -9.411 1.00 0.00 H new ATOM 0 HA GLU A 22 2.713 -5.126 -10.156 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.279 -7.277 -11.765 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.266 -6.025 -12.491 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.263 -8.056 -10.464 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.457 -8.197 -12.200 1.00 0.00 H new ATOM 320 N GLU A 23 -0.515 -5.189 -10.816 1.00 0.00 N ATOM 321 CA GLU A 23 -1.661 -4.360 -11.177 1.00 0.00 C ATOM 322 C GLU A 23 -1.811 -3.195 -10.204 1.00 0.00 C ATOM 323 O GLU A 23 -2.062 -2.057 -10.611 1.00 0.00 O ATOM 324 CB GLU A 23 -2.940 -5.199 -11.193 1.00 0.00 C ATOM 325 CG GLU A 23 -2.875 -6.394 -12.131 1.00 0.00 C ATOM 326 CD GLU A 23 -2.647 -6.011 -13.580 1.00 0.00 C ATOM 327 OE1 GLU A 23 -1.483 -5.786 -13.973 1.00 0.00 O ATOM 328 OE2 GLU A 23 -3.633 -5.954 -14.344 1.00 0.00 O ATOM 0 H GLU A 23 -0.754 -6.150 -10.570 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.490 -3.958 -12.176 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.145 -5.552 -10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.777 -4.564 -11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.072 -7.057 -11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.805 -6.958 -12.054 1.00 0.00 H new ATOM 333 N MET A 24 -1.643 -3.479 -8.914 1.00 0.00 N ATOM 334 CA MET A 24 -1.730 -2.440 -7.893 1.00 0.00 C ATOM 335 C MET A 24 -0.554 -1.482 -7.992 1.00 0.00 C ATOM 336 O MET A 24 -0.715 -0.278 -7.801 1.00 0.00 O ATOM 337 CB MET A 24 -1.804 -3.028 -6.481 1.00 0.00 C ATOM 338 CG MET A 24 -3.130 -3.696 -6.165 1.00 0.00 C ATOM 339 SD MET A 24 -3.253 -4.238 -4.449 1.00 0.00 S ATOM 340 CE MET A 24 -3.087 -2.679 -3.574 1.00 0.00 C ATOM 0 H MET A 24 -1.447 -4.413 -8.554 1.00 0.00 H new ATOM 0 HA MET A 24 -2.654 -1.892 -8.078 1.00 0.00 H new ATOM 0 HB2 MET A 24 -1.002 -3.756 -6.358 1.00 0.00 H new ATOM 0 HB3 MET A 24 -1.626 -2.233 -5.757 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.941 -3.001 -6.380 1.00 0.00 H new ATOM 0 HG3 MET A 24 -3.264 -4.555 -6.822 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.790 -2.652 -2.742 1.00 0.00 H new ATOM 0 HE2 MET A 24 -2.070 -2.582 -3.193 1.00 0.00 H new ATOM 0 HE3 MET A 24 -3.300 -1.855 -4.255 1.00 0.00 H new ATOM 348 N ILE A 25 0.629 -2.013 -8.296 1.00 0.00 N ATOM 349 CA ILE A 25 1.802 -1.176 -8.513 1.00 0.00 C ATOM 350 C ILE A 25 1.524 -0.167 -9.619 1.00 0.00 C ATOM 351 O ILE A 25 1.755 1.026 -9.446 1.00 0.00 O ATOM 352 CB ILE A 25 3.058 -2.008 -8.872 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.508 -2.838 -7.666 1.00 0.00 C ATOM 354 CG2 ILE A 25 4.190 -1.102 -9.345 1.00 0.00 C ATOM 355 CD1 ILE A 25 4.691 -3.740 -7.950 1.00 0.00 C ATOM 0 H ILE A 25 0.798 -3.014 -8.397 1.00 0.00 H new ATOM 0 HA ILE A 25 2.006 -0.657 -7.577 1.00 0.00 H new ATOM 0 HB ILE A 25 2.800 -2.685 -9.686 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.765 -2.164 -6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.672 -3.448 -7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.062 -1.708 -9.592 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.869 -0.550 -10.229 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.449 -0.399 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.950 -4.295 -7.048 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.433 -4.440 -8.745 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.543 -3.136 -8.262 1.00 0.00 H new ATOM 366 N ALA A 26 0.998 -0.650 -10.741 1.00 0.00 N ATOM 367 CA ALA A 26 0.642 0.219 -11.854 1.00 0.00 C ATOM 368 C ALA A 26 -0.392 1.255 -11.419 1.00 0.00 C ATOM 369 O ALA A 26 -0.298 2.428 -11.777 1.00 0.00 O ATOM 370 CB ALA A 26 0.116 -0.603 -13.020 1.00 0.00 C ATOM 0 H ALA A 26 0.809 -1.639 -10.902 1.00 0.00 H new ATOM 0 HA ALA A 26 1.538 0.747 -12.179 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.146 0.061 -13.844 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.885 -1.303 -13.348 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.768 -1.157 -12.705 1.00 0.00 H new ATOM 376 N SER A 27 -1.359 0.811 -10.622 1.00 0.00 N ATOM 377 CA SER A 27 -2.397 1.691 -10.099 1.00 0.00 C ATOM 378 C SER A 27 -1.790 2.795 -9.230 1.00 0.00 C ATOM 379 O SER A 27 -2.116 3.974 -9.381 1.00 0.00 O ATOM 380 CB SER A 27 -3.400 0.870 -9.281 1.00 0.00 C ATOM 381 OG SER A 27 -3.971 -0.167 -10.067 1.00 0.00 O ATOM 0 H SER A 27 -1.445 -0.160 -10.323 1.00 0.00 H new ATOM 0 HA SER A 27 -2.910 2.163 -10.937 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.901 0.440 -8.413 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.188 1.522 -8.905 1.00 0.00 H new ATOM 0 HG SER A 27 -3.297 -0.858 -10.236 1.00 0.00 H new ATOM 386 N LEU A 28 -0.891 2.403 -8.338 1.00 0.00 N ATOM 387 CA LEU A 28 -0.272 3.333 -7.404 1.00 0.00 C ATOM 388 C LEU A 28 0.729 4.245 -8.108 1.00 0.00 C ATOM 389 O LEU A 28 0.918 5.390 -7.709 1.00 0.00 O ATOM 390 CB LEU A 28 0.407 2.559 -6.271 1.00 0.00 C ATOM 391 CG LEU A 28 -0.537 1.704 -5.421 1.00 0.00 C ATOM 392 CD1 LEU A 28 0.238 0.959 -4.351 1.00 0.00 C ATOM 393 CD2 LEU A 28 -1.616 2.569 -4.791 1.00 0.00 C ATOM 0 H LEU A 28 -0.572 1.439 -8.241 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.053 3.966 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.173 1.913 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.917 3.269 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.017 0.972 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.449 0.357 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.976 0.309 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.745 1.675 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.278 1.945 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.152 3.323 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.193 3.060 -5.575 1.00 0.00 H new ATOM 404 N ARG A 29 1.366 3.736 -9.154 1.00 0.00 N ATOM 405 CA ARG A 29 2.284 4.543 -9.955 1.00 0.00 C ATOM 406 C ARG A 29 1.537 5.682 -10.630 1.00 0.00 C ATOM 407 O ARG A 29 2.041 6.801 -10.724 1.00 0.00 O ATOM 408 CB ARG A 29 2.991 3.683 -11.005 1.00 0.00 C ATOM 409 CG ARG A 29 4.041 2.755 -10.419 1.00 0.00 C ATOM 410 CD ARG A 29 5.259 3.527 -9.932 1.00 0.00 C ATOM 411 NE ARG A 29 5.999 4.119 -11.046 1.00 0.00 N ATOM 412 CZ ARG A 29 6.565 5.327 -11.022 1.00 0.00 C ATOM 413 NH1 ARG A 29 6.488 6.092 -9.936 1.00 0.00 N ATOM 414 NH2 ARG A 29 7.211 5.770 -12.093 1.00 0.00 N ATOM 0 H ARG A 29 1.266 2.771 -9.469 1.00 0.00 H new ATOM 0 HA ARG A 29 3.038 4.961 -9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.248 3.089 -11.537 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.463 4.335 -11.740 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.610 2.193 -9.590 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.347 2.028 -11.172 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.943 4.312 -9.246 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.914 2.860 -9.372 1.00 0.00 H new ATOM 0 HE ARG A 29 6.089 3.570 -11.901 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.992 5.757 -9.110 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.925 7.014 -9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.273 5.188 -12.928 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.646 6.693 -12.081 1.00 0.00 H new ATOM 425 N VAL A 30 0.329 5.389 -11.093 1.00 0.00 N ATOM 426 CA VAL A 30 -0.538 6.410 -11.662 1.00 0.00 C ATOM 427 C VAL A 30 -0.952 7.412 -10.588 1.00 0.00 C ATOM 428 O VAL A 30 -0.911 8.623 -10.809 1.00 0.00 O ATOM 429 CB VAL A 30 -1.797 5.793 -12.311 1.00 0.00 C ATOM 430 CG1 VAL A 30 -2.746 6.876 -12.802 1.00 0.00 C ATOM 431 CG2 VAL A 30 -1.409 4.876 -13.458 1.00 0.00 C ATOM 0 H VAL A 30 -0.072 4.451 -11.085 1.00 0.00 H new ATOM 0 HA VAL A 30 0.028 6.922 -12.440 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.313 5.207 -11.551 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.623 6.413 -13.254 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.056 7.497 -11.961 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.240 7.495 -13.543 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.308 4.450 -13.903 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.866 5.446 -14.212 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.774 4.073 -13.083 1.00 0.00 H new ATOM 441 N LEU A 31 -1.334 6.901 -9.420 1.00 0.00 N ATOM 442 CA LEU A 31 -1.720 7.757 -8.300 1.00 0.00 C ATOM 443 C LEU A 31 -0.561 8.627 -7.837 1.00 0.00 C ATOM 444 O LEU A 31 -0.765 9.771 -7.453 1.00 0.00 O ATOM 445 CB LEU A 31 -2.240 6.931 -7.124 1.00 0.00 C ATOM 446 CG LEU A 31 -3.742 6.657 -7.133 1.00 0.00 C ATOM 447 CD1 LEU A 31 -4.134 5.854 -5.905 1.00 0.00 C ATOM 448 CD2 LEU A 31 -4.524 7.965 -7.186 1.00 0.00 C ATOM 0 H LEU A 31 -1.385 5.901 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.520 8.404 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.713 5.977 -7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.987 7.448 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.985 6.077 -8.023 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.207 5.664 -5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.598 4.905 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.879 6.416 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.593 7.750 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.280 8.570 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.259 8.511 -8.091 1.00 0.00 H new ATOM 459 N GLN A 32 0.652 8.082 -7.892 1.00 0.00 N ATOM 460 CA GLN A 32 1.859 8.809 -7.492 1.00 0.00 C ATOM 461 C GLN A 32 2.050 10.086 -8.304 1.00 0.00 C ATOM 462 O GLN A 32 2.751 11.003 -7.874 1.00 0.00 O ATOM 463 CB GLN A 32 3.092 7.915 -7.622 1.00 0.00 C ATOM 464 CG GLN A 32 3.376 7.089 -6.379 1.00 0.00 C ATOM 465 CD GLN A 32 4.439 6.030 -6.605 1.00 0.00 C ATOM 466 OE1 GLN A 32 5.305 6.176 -7.464 1.00 0.00 O ATOM 467 NE2 GLN A 32 4.402 4.969 -5.817 1.00 0.00 N ATOM 0 H GLN A 32 0.828 7.130 -8.213 1.00 0.00 H new ATOM 0 HA GLN A 32 1.733 9.095 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.957 7.245 -8.471 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.960 8.537 -7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.695 7.751 -5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.455 6.608 -6.050 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.668 4.881 -5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.108 4.239 -5.912 1.00 0.00 H new ATOM 474 N LYS A 33 1.430 10.146 -9.474 1.00 0.00 N ATOM 475 CA LYS A 33 1.496 11.335 -10.313 1.00 0.00 C ATOM 476 C LYS A 33 0.616 12.445 -9.747 1.00 0.00 C ATOM 477 O LYS A 33 0.914 13.631 -9.898 1.00 0.00 O ATOM 478 CB LYS A 33 1.070 11.004 -11.732 1.00 0.00 C ATOM 479 CG LYS A 33 1.946 9.949 -12.378 1.00 0.00 C ATOM 480 CD LYS A 33 1.651 9.830 -13.854 1.00 0.00 C ATOM 481 CE LYS A 33 0.224 9.363 -14.105 1.00 0.00 C ATOM 482 NZ LYS A 33 -0.100 9.317 -15.553 1.00 0.00 N ATOM 0 H LYS A 33 0.875 9.385 -9.864 1.00 0.00 H new ATOM 0 HA LYS A 33 2.528 11.685 -10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.037 10.657 -11.725 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.097 11.911 -12.335 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.996 10.204 -12.233 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.782 8.987 -11.892 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.809 10.795 -14.336 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.349 9.128 -14.310 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.085 8.373 -13.671 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.471 10.033 -13.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.081 8.994 -15.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.007 10.267 -15.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.546 8.658 -16.033 1.00 0.00 H new ATOM 492 N LYS A 34 -0.460 12.043 -9.091 1.00 0.00 N ATOM 493 CA LYS A 34 -1.383 12.978 -8.464 1.00 0.00 C ATOM 494 C LYS A 34 -0.971 13.231 -7.020 1.00 0.00 C ATOM 495 O LYS A 34 -0.909 14.371 -6.556 1.00 0.00 O ATOM 496 CB LYS A 34 -2.798 12.403 -8.490 1.00 0.00 C ATOM 497 CG LYS A 34 -3.374 12.236 -9.881 1.00 0.00 C ATOM 498 CD LYS A 34 -4.598 11.340 -9.854 1.00 0.00 C ATOM 499 CE LYS A 34 -5.348 11.376 -11.171 1.00 0.00 C ATOM 500 NZ LYS A 34 -5.997 12.691 -11.396 1.00 0.00 N ATOM 0 H LYS A 34 -0.719 11.063 -8.978 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.359 13.918 -9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.794 11.434 -7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.454 13.055 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.641 13.211 -10.288 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.620 11.809 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.295 10.316 -9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.262 11.654 -9.049 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.658 11.166 -11.989 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.104 10.591 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.721 12.598 -12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.443 13.014 -10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.282 13.384 -11.696 1.00 0.00 H new ATOM 510 N SER A 35 -0.680 12.145 -6.327 1.00 0.00 N ATOM 511 CA SER A 35 -0.352 12.175 -4.915 1.00 0.00 C ATOM 512 C SER A 35 0.808 11.227 -4.638 1.00 0.00 C ATOM 513 O SER A 35 0.693 10.021 -4.840 1.00 0.00 O ATOM 514 CB SER A 35 -1.580 11.769 -4.091 1.00 0.00 C ATOM 515 OG SER A 35 -2.696 12.586 -4.408 1.00 0.00 O ATOM 0 H SER A 35 -0.665 11.209 -6.733 1.00 0.00 H new ATOM 0 HA SER A 35 -0.056 13.185 -4.632 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.823 10.724 -4.284 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.353 11.853 -3.028 1.00 0.00 H new ATOM 0 HG SER A 35 -3.468 12.308 -3.872 1.00 0.00 H new ATOM 520 N TRP A 36 1.934 11.772 -4.207 1.00 0.00 N ATOM 521 CA TRP A 36 3.102 10.952 -3.926 1.00 0.00 C ATOM 522 C TRP A 36 2.958 10.262 -2.577 1.00 0.00 C ATOM 523 O TRP A 36 2.604 10.893 -1.587 1.00 0.00 O ATOM 524 CB TRP A 36 4.378 11.795 -3.945 1.00 0.00 C ATOM 525 CG TRP A 36 5.629 10.969 -3.904 1.00 0.00 C ATOM 526 CD1 TRP A 36 6.375 10.655 -2.804 1.00 0.00 C ATOM 527 CD2 TRP A 36 6.270 10.339 -5.018 1.00 0.00 C ATOM 528 NE1 TRP A 36 7.448 9.882 -3.170 1.00 0.00 N ATOM 529 CE2 TRP A 36 7.404 9.671 -4.523 1.00 0.00 C ATOM 530 CE3 TRP A 36 5.994 10.276 -6.386 1.00 0.00 C ATOM 531 CZ2 TRP A 36 8.263 8.950 -5.351 1.00 0.00 C ATOM 532 CZ3 TRP A 36 6.847 9.564 -7.206 1.00 0.00 C ATOM 533 CH2 TRP A 36 7.968 8.906 -6.685 1.00 0.00 C ATOM 0 H TRP A 36 2.064 12.771 -4.045 1.00 0.00 H new ATOM 0 HA TRP A 36 3.175 10.194 -4.706 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.386 12.411 -4.844 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.370 12.475 -3.093 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.153 10.969 -1.795 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.163 9.523 -2.537 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.128 10.776 -6.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 9.130 8.444 -4.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.646 9.514 -8.266 1.00 0.00 H new ATOM 0 HH2 TRP A 36 8.613 8.352 -7.351 1.00 0.00 H new ATOM 543 N PHE A 37 3.222 8.965 -2.553 1.00 0.00 N ATOM 544 CA PHE A 37 3.172 8.200 -1.316 1.00 0.00 C ATOM 545 C PHE A 37 4.228 7.108 -1.307 1.00 0.00 C ATOM 546 O PHE A 37 4.211 6.216 -0.460 1.00 0.00 O ATOM 547 CB PHE A 37 1.779 7.594 -1.119 1.00 0.00 C ATOM 548 CG PHE A 37 1.160 7.018 -2.369 1.00 0.00 C ATOM 549 CD1 PHE A 37 1.651 5.857 -2.951 1.00 0.00 C ATOM 550 CD2 PHE A 37 0.070 7.641 -2.952 1.00 0.00 C ATOM 551 CE1 PHE A 37 1.066 5.337 -4.087 1.00 0.00 C ATOM 552 CE2 PHE A 37 -0.518 7.123 -4.087 1.00 0.00 C ATOM 553 CZ PHE A 37 -0.019 5.969 -4.655 1.00 0.00 C ATOM 0 H PHE A 37 3.473 8.419 -3.377 1.00 0.00 H new ATOM 0 HA PHE A 37 3.380 8.880 -0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.842 6.808 -0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.116 8.363 -0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.500 5.356 -2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.325 8.545 -2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.458 4.434 -4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.368 7.620 -4.531 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.478 5.561 -5.544 1.00 0.00 H new ATOM 562 N GLU A 38 5.164 7.212 -2.240 1.00 0.00 N ATOM 563 CA GLU A 38 6.192 6.194 -2.438 1.00 0.00 C ATOM 564 C GLU A 38 5.578 4.827 -2.724 1.00 0.00 C ATOM 565 O GLU A 38 4.361 4.678 -2.814 1.00 0.00 O ATOM 566 CB GLU A 38 7.125 6.104 -1.229 1.00 0.00 C ATOM 567 CG GLU A 38 7.930 7.361 -0.994 1.00 0.00 C ATOM 568 CD GLU A 38 9.250 7.083 -0.304 1.00 0.00 C ATOM 569 OE1 GLU A 38 9.248 6.752 0.900 1.00 0.00 O ATOM 570 OE2 GLU A 38 10.299 7.160 -0.972 1.00 0.00 O ATOM 0 H GLU A 38 5.234 8.002 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 38 6.776 6.497 -3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.534 5.889 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.808 5.266 -1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.119 7.852 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.346 8.055 -0.389 1.00 0.00 H new ATOM 575 N LEU A 39 6.426 3.837 -2.921 1.00 0.00 N ATOM 576 CA LEU A 39 5.954 2.481 -3.154 1.00 0.00 C ATOM 577 C LEU A 39 6.981 1.462 -2.682 1.00 0.00 C ATOM 578 O LEU A 39 8.083 1.378 -3.226 1.00 0.00 O ATOM 579 CB LEU A 39 5.626 2.276 -4.635 1.00 0.00 C ATOM 580 CG LEU A 39 4.864 0.995 -4.968 1.00 0.00 C ATOM 581 CD1 LEU A 39 3.766 0.740 -3.945 1.00 0.00 C ATOM 582 CD2 LEU A 39 4.261 1.113 -6.356 1.00 0.00 C ATOM 0 H LEU A 39 7.441 3.942 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 39 5.042 2.331 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.039 3.127 -4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.558 2.281 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 39 5.559 0.155 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.236 -0.177 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.208 0.639 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.066 1.576 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.717 0.199 -6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.577 1.961 -6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.056 1.264 -7.086 1.00 0.00 H new ATOM 593 N GLU A 40 6.618 0.695 -1.670 1.00 0.00 N ATOM 594 CA GLU A 40 7.509 -0.317 -1.131 1.00 0.00 C ATOM 595 C GLU A 40 6.789 -1.655 -1.029 1.00 0.00 C ATOM 596 O GLU A 40 5.763 -1.766 -0.363 1.00 0.00 O ATOM 597 CB GLU A 40 8.032 0.116 0.238 1.00 0.00 C ATOM 598 CG GLU A 40 9.072 -0.821 0.825 1.00 0.00 C ATOM 599 CD GLU A 40 9.997 -0.111 1.784 1.00 0.00 C ATOM 600 OE1 GLU A 40 10.910 0.605 1.313 1.00 0.00 O ATOM 601 OE2 GLU A 40 9.818 -0.246 3.008 1.00 0.00 O ATOM 0 H GLU A 40 5.712 0.753 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 40 8.357 -0.433 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.463 1.113 0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.193 0.190 0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.571 -1.639 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.657 -1.264 0.019 1.00 0.00 H new ATOM 606 N VAL A 41 7.318 -2.655 -1.718 1.00 0.00 N ATOM 607 CA VAL A 41 6.755 -3.996 -1.678 1.00 0.00 C ATOM 608 C VAL A 41 7.579 -4.878 -0.750 1.00 0.00 C ATOM 609 O VAL A 41 8.768 -5.113 -0.992 1.00 0.00 O ATOM 610 CB VAL A 41 6.692 -4.641 -3.082 1.00 0.00 C ATOM 611 CG1 VAL A 41 6.038 -6.015 -3.020 1.00 0.00 C ATOM 612 CG2 VAL A 41 5.943 -3.743 -4.050 1.00 0.00 C ATOM 0 H VAL A 41 8.140 -2.562 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 41 5.735 -3.910 -1.303 1.00 0.00 H new ATOM 0 HB VAL A 41 7.713 -4.764 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.005 -6.448 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.616 -6.664 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.023 -5.918 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.910 -4.215 -5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.927 -3.586 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.454 -2.783 -4.126 1.00 0.00 H new ATOM 622 N ILE A 42 6.952 -5.346 0.317 1.00 0.00 N ATOM 623 CA ILE A 42 7.649 -6.122 1.326 1.00 0.00 C ATOM 624 C ILE A 42 7.133 -7.559 1.366 1.00 0.00 C ATOM 625 O ILE A 42 5.923 -7.801 1.408 1.00 0.00 O ATOM 626 CB ILE A 42 7.526 -5.464 2.717 1.00 0.00 C ATOM 627 CG1 ILE A 42 8.131 -4.059 2.669 1.00 0.00 C ATOM 628 CG2 ILE A 42 8.216 -6.313 3.780 1.00 0.00 C ATOM 629 CD1 ILE A 42 8.031 -3.300 3.972 1.00 0.00 C ATOM 0 H ILE A 42 5.960 -5.201 0.506 1.00 0.00 H new ATOM 0 HA ILE A 42 8.704 -6.146 1.053 1.00 0.00 H new ATOM 0 HB ILE A 42 6.472 -5.390 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 42 9.181 -4.136 2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.631 -3.486 1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.117 -5.830 4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.753 -7.299 3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.272 -6.417 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.482 -2.315 3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.983 -3.188 4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.556 -3.849 4.754 1.00 0.00 H new ATOM 640 N ASN A 43 8.065 -8.499 1.328 1.00 0.00 N ATOM 641 CA ASN A 43 7.747 -9.923 1.353 1.00 0.00 C ATOM 642 C ASN A 43 7.336 -10.356 2.753 1.00 0.00 C ATOM 643 O ASN A 43 8.114 -10.237 3.700 1.00 0.00 O ATOM 644 CB ASN A 43 8.963 -10.739 0.905 1.00 0.00 C ATOM 645 CG ASN A 43 9.351 -10.481 -0.540 1.00 0.00 C ATOM 646 OD1 ASN A 43 10.063 -9.522 -0.844 1.00 0.00 O ATOM 647 ND2 ASN A 43 8.933 -11.365 -1.431 1.00 0.00 N ATOM 0 H ASN A 43 9.064 -8.299 1.279 1.00 0.00 H new ATOM 0 HA ASN A 43 6.916 -10.100 0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.809 -10.504 1.550 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.749 -11.800 1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.199 -11.267 -2.411 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.345 -12.145 -1.138 1.00 0.00 H new ATOM 653 N ILE A 44 6.115 -10.856 2.887 1.00 0.00 N ATOM 654 CA ILE A 44 5.631 -11.319 4.184 1.00 0.00 C ATOM 655 C ILE A 44 5.991 -12.779 4.414 1.00 0.00 C ATOM 656 O ILE A 44 5.921 -13.266 5.535 1.00 0.00 O ATOM 657 CB ILE A 44 4.104 -11.164 4.339 1.00 0.00 C ATOM 658 CG1 ILE A 44 3.365 -12.133 3.412 1.00 0.00 C ATOM 659 CG2 ILE A 44 3.688 -9.730 4.059 1.00 0.00 C ATOM 660 CD1 ILE A 44 1.914 -12.346 3.793 1.00 0.00 C ATOM 0 H ILE A 44 5.446 -10.952 2.123 1.00 0.00 H new ATOM 0 HA ILE A 44 6.122 -10.688 4.925 1.00 0.00 H new ATOM 0 HB ILE A 44 3.835 -11.407 5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.412 -11.754 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.879 -13.094 3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.608 -9.636 4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.186 -9.063 4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.971 -9.461 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.453 -13.043 3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.859 -12.754 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.385 -11.394 3.758 1.00 0.00 H new ATOM 671 N ASP A 45 6.369 -13.471 3.342 1.00 0.00 N ATOM 672 CA ASP A 45 6.716 -14.892 3.420 1.00 0.00 C ATOM 673 C ASP A 45 7.802 -15.143 4.463 1.00 0.00 C ATOM 674 O ASP A 45 7.776 -16.151 5.170 1.00 0.00 O ATOM 675 CB ASP A 45 7.166 -15.402 2.052 1.00 0.00 C ATOM 676 CG ASP A 45 7.577 -16.862 2.077 1.00 0.00 C ATOM 677 OD1 ASP A 45 6.699 -17.730 2.244 1.00 0.00 O ATOM 678 OD2 ASP A 45 8.779 -17.147 1.908 1.00 0.00 O ATOM 0 H ASP A 45 6.444 -13.072 2.406 1.00 0.00 H new ATOM 0 HA ASP A 45 5.825 -15.439 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.356 -15.269 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.004 -14.799 1.702 1.00 0.00 H new ATOM 682 N GLY A 46 8.750 -14.217 4.560 1.00 0.00 N ATOM 683 CA GLY A 46 9.771 -14.312 5.584 1.00 0.00 C ATOM 684 C GLY A 46 9.219 -14.016 6.965 1.00 0.00 C ATOM 685 O GLY A 46 9.404 -14.799 7.901 1.00 0.00 O ATOM 0 H GLY A 46 8.829 -13.404 3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.204 -15.312 5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.577 -13.614 5.358 1.00 0.00 H new ATOM 689 N ASN A 47 8.525 -12.890 7.089 1.00 0.00 N ATOM 690 CA ASN A 47 7.937 -12.486 8.363 1.00 0.00 C ATOM 691 C ASN A 47 6.610 -13.193 8.592 1.00 0.00 C ATOM 692 O ASN A 47 5.557 -12.725 8.154 1.00 0.00 O ATOM 693 CB ASN A 47 7.718 -10.970 8.422 1.00 0.00 C ATOM 694 CG ASN A 47 9.004 -10.174 8.555 1.00 0.00 C ATOM 695 OD1 ASN A 47 10.061 -10.575 8.063 1.00 0.00 O ATOM 696 ND2 ASN A 47 8.919 -9.038 9.229 1.00 0.00 N ATOM 0 H ASN A 47 8.355 -12.239 6.322 1.00 0.00 H new ATOM 0 HA ASN A 47 8.639 -12.770 9.147 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.195 -10.652 7.520 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.068 -10.738 9.266 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.748 -8.458 9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.024 -8.743 9.620 1.00 0.00 H new ATOM 702 N GLU A 48 6.662 -14.314 9.292 1.00 0.00 N ATOM 703 CA GLU A 48 5.474 -15.111 9.555 1.00 0.00 C ATOM 704 C GLU A 48 4.489 -14.359 10.452 1.00 0.00 C ATOM 705 O GLU A 48 3.306 -14.685 10.496 1.00 0.00 O ATOM 706 CB GLU A 48 5.870 -16.453 10.166 1.00 0.00 C ATOM 707 CG GLU A 48 6.727 -17.292 9.229 1.00 0.00 C ATOM 708 CD GLU A 48 7.223 -18.569 9.866 1.00 0.00 C ATOM 709 OE1 GLU A 48 8.292 -18.534 10.511 1.00 0.00 O ATOM 710 OE2 GLU A 48 6.558 -19.615 9.716 1.00 0.00 O ATOM 0 H GLU A 48 7.520 -14.695 9.691 1.00 0.00 H new ATOM 0 HA GLU A 48 4.966 -15.299 8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.416 -16.279 11.093 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.970 -17.010 10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.148 -17.538 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.582 -16.701 8.900 1.00 0.00 H new ATOM 715 N HIS A 49 4.978 -13.339 11.153 1.00 0.00 N ATOM 716 CA HIS A 49 4.101 -12.442 11.906 1.00 0.00 C ATOM 717 C HIS A 49 3.151 -11.711 10.958 1.00 0.00 C ATOM 718 O HIS A 49 1.955 -11.595 11.225 1.00 0.00 O ATOM 719 CB HIS A 49 4.916 -11.422 12.707 1.00 0.00 C ATOM 720 CG HIS A 49 5.395 -11.929 14.036 1.00 0.00 C ATOM 721 ND1 HIS A 49 5.202 -11.243 15.216 1.00 0.00 N ATOM 722 CD2 HIS A 49 6.070 -13.053 14.367 1.00 0.00 C ATOM 723 CE1 HIS A 49 5.741 -11.923 16.214 1.00 0.00 C ATOM 724 NE2 HIS A 49 6.275 -13.026 15.725 1.00 0.00 N ATOM 0 H HIS A 49 5.971 -13.113 11.216 1.00 0.00 H new ATOM 0 HA HIS A 49 3.521 -13.047 12.603 1.00 0.00 H new ATOM 0 HB2 HIS A 49 5.778 -11.116 12.115 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.307 -10.532 12.867 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.389 -13.830 13.688 1.00 0.00 H new ATOM 0 HE1 HIS A 49 5.744 -11.626 17.252 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.760 -13.741 16.266 1.00 0.00 H new ATOM 731 N LEU A 50 3.690 -11.240 9.839 1.00 0.00 N ATOM 732 CA LEU A 50 2.885 -10.563 8.828 1.00 0.00 C ATOM 733 C LEU A 50 1.979 -11.560 8.120 1.00 0.00 C ATOM 734 O LEU A 50 0.837 -11.249 7.784 1.00 0.00 O ATOM 735 CB LEU A 50 3.778 -9.857 7.807 1.00 0.00 C ATOM 736 CG LEU A 50 4.604 -8.694 8.357 1.00 0.00 C ATOM 737 CD1 LEU A 50 5.513 -8.126 7.277 1.00 0.00 C ATOM 738 CD2 LEU A 50 3.693 -7.607 8.911 1.00 0.00 C ATOM 0 H LEU A 50 4.681 -11.314 9.609 1.00 0.00 H new ATOM 0 HA LEU A 50 2.270 -9.815 9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.457 -10.591 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.152 -9.485 6.996 1.00 0.00 H new ATOM 0 HG LEU A 50 5.227 -9.070 9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.093 -7.299 7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.190 -8.904 6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.908 -7.767 6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.298 -6.787 9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.045 -7.236 8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.083 -8.019 9.715 1.00 0.00 H new ATOM 749 N THR A 51 2.494 -12.760 7.903 1.00 0.00 N ATOM 750 CA THR A 51 1.715 -13.829 7.297 1.00 0.00 C ATOM 751 C THR A 51 0.546 -14.225 8.205 1.00 0.00 C ATOM 752 O THR A 51 -0.545 -14.539 7.736 1.00 0.00 O ATOM 753 CB THR A 51 2.604 -15.054 6.995 1.00 0.00 C ATOM 754 OG1 THR A 51 3.655 -14.671 6.099 1.00 0.00 O ATOM 755 CG2 THR A 51 1.800 -16.179 6.367 1.00 0.00 C ATOM 0 H THR A 51 3.452 -13.019 8.139 1.00 0.00 H new ATOM 0 HA THR A 51 1.311 -13.461 6.354 1.00 0.00 H new ATOM 0 HB THR A 51 3.020 -15.412 7.937 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.238 -14.017 6.539 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.455 -17.027 6.167 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.008 -16.486 7.050 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.358 -15.833 5.432 1.00 0.00 H new ATOM 763 N ARG A 52 0.772 -14.166 9.508 1.00 0.00 N ATOM 764 CA ARG A 52 -0.273 -14.447 10.480 1.00 0.00 C ATOM 765 C ARG A 52 -1.382 -13.405 10.365 1.00 0.00 C ATOM 766 O ARG A 52 -2.563 -13.710 10.535 1.00 0.00 O ATOM 767 CB ARG A 52 0.301 -14.430 11.899 1.00 0.00 C ATOM 768 CG ARG A 52 -0.636 -15.032 12.929 1.00 0.00 C ATOM 769 CD ARG A 52 -0.609 -14.261 14.239 1.00 0.00 C ATOM 770 NE ARG A 52 0.723 -14.205 14.841 1.00 0.00 N ATOM 771 CZ ARG A 52 1.136 -13.212 15.632 1.00 0.00 C ATOM 772 NH1 ARG A 52 0.331 -12.186 15.886 1.00 0.00 N ATOM 773 NH2 ARG A 52 2.349 -13.245 16.165 1.00 0.00 N ATOM 0 H ARG A 52 1.674 -13.925 9.918 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.682 -15.436 10.275 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.243 -14.978 11.910 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.528 -13.402 12.180 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.652 -15.041 12.534 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.356 -16.069 13.112 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.966 -13.246 14.064 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.300 -14.725 14.942 1.00 0.00 H new ATOM 0 HE ARG A 52 1.372 -14.967 14.646 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.603 -12.157 15.477 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.647 -11.427 16.490 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.970 -14.031 15.971 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.662 -12.485 16.769 1.00 0.00 H new ATOM 784 N LEU A 53 -0.987 -12.174 10.074 1.00 0.00 N ATOM 785 CA LEU A 53 -1.932 -11.081 9.902 1.00 0.00 C ATOM 786 C LEU A 53 -2.704 -11.213 8.591 1.00 0.00 C ATOM 787 O LEU A 53 -3.933 -11.155 8.574 1.00 0.00 O ATOM 788 CB LEU A 53 -1.193 -9.740 9.920 1.00 0.00 C ATOM 789 CG LEU A 53 -0.679 -9.286 11.286 1.00 0.00 C ATOM 790 CD1 LEU A 53 0.299 -8.131 11.131 1.00 0.00 C ATOM 791 CD2 LEU A 53 -1.843 -8.872 12.170 1.00 0.00 C ATOM 0 H LEU A 53 -0.010 -11.906 9.951 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.642 -11.124 10.728 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.347 -9.803 9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.861 -8.972 9.530 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.157 -10.120 11.756 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.655 -7.821 12.114 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.145 -8.450 10.523 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.201 -7.293 10.645 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.466 -8.550 13.141 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.383 -8.050 11.700 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.517 -9.718 12.305 1.00 0.00 H new ATOM 802 N TYR A 54 -1.979 -11.398 7.500 1.00 0.00 N ATOM 803 CA TYR A 54 -2.581 -11.337 6.177 1.00 0.00 C ATOM 804 C TYR A 54 -2.667 -12.719 5.525 1.00 0.00 C ATOM 805 O TYR A 54 -3.766 -13.227 5.292 1.00 0.00 O ATOM 806 CB TYR A 54 -1.783 -10.374 5.296 1.00 0.00 C ATOM 807 CG TYR A 54 -1.472 -9.054 5.978 1.00 0.00 C ATOM 808 CD1 TYR A 54 -2.492 -8.212 6.409 1.00 0.00 C ATOM 809 CD2 TYR A 54 -0.158 -8.663 6.209 1.00 0.00 C ATOM 810 CE1 TYR A 54 -2.211 -7.017 7.044 1.00 0.00 C ATOM 811 CE2 TYR A 54 0.130 -7.470 6.845 1.00 0.00 C ATOM 812 CZ TYR A 54 -0.898 -6.651 7.262 1.00 0.00 C ATOM 813 OH TYR A 54 -0.610 -5.460 7.889 1.00 0.00 O ATOM 0 H TYR A 54 -0.977 -11.591 7.503 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.602 -10.971 6.284 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.849 -10.852 5.001 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.344 -10.179 4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.521 -8.497 6.245 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.651 -9.302 5.886 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.015 -6.373 7.368 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.157 -7.180 7.015 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.382 -5.176 8.422 1.00 0.00 H new ATOM 822 N ASN A 55 -1.501 -13.321 5.258 1.00 0.00 N ATOM 823 CA ASN A 55 -1.398 -14.616 4.555 1.00 0.00 C ATOM 824 C ASN A 55 -2.106 -14.594 3.198 1.00 0.00 C ATOM 825 O ASN A 55 -1.489 -14.327 2.173 1.00 0.00 O ATOM 826 CB ASN A 55 -1.964 -15.763 5.409 1.00 0.00 C ATOM 827 CG ASN A 55 -1.756 -17.132 4.775 1.00 0.00 C ATOM 828 OD1 ASN A 55 -0.740 -17.787 4.998 1.00 0.00 O ATOM 829 ND2 ASN A 55 -2.725 -17.584 3.990 1.00 0.00 N ATOM 0 H ASN A 55 -0.598 -12.927 5.522 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.335 -14.788 4.384 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.490 -15.747 6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.030 -15.600 5.567 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.640 -18.501 3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.555 -17.015 3.826 1.00 0.00 H new ATOM 835 N ASP A 56 -3.408 -14.856 3.216 1.00 0.00 N ATOM 836 CA ASP A 56 -4.196 -14.990 1.996 1.00 0.00 C ATOM 837 C ASP A 56 -4.645 -13.628 1.493 1.00 0.00 C ATOM 838 O ASP A 56 -4.800 -13.413 0.291 1.00 0.00 O ATOM 839 CB ASP A 56 -5.405 -15.893 2.256 1.00 0.00 C ATOM 840 CG ASP A 56 -6.439 -15.846 1.148 1.00 0.00 C ATOM 841 OD1 ASP A 56 -6.113 -16.205 -0.003 1.00 0.00 O ATOM 842 OD2 ASP A 56 -7.593 -15.470 1.431 1.00 0.00 O ATOM 0 H ASP A 56 -3.946 -14.981 4.074 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.574 -15.445 1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.062 -16.920 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.875 -15.598 3.194 1.00 0.00 H new ATOM 846 N ARG A 57 -4.819 -12.695 2.412 1.00 0.00 N ATOM 847 CA ARG A 57 -5.232 -11.362 2.046 1.00 0.00 C ATOM 848 C ARG A 57 -4.003 -10.498 1.917 1.00 0.00 C ATOM 849 O ARG A 57 -3.772 -9.603 2.731 1.00 0.00 O ATOM 850 CB ARG A 57 -6.204 -10.752 3.067 1.00 0.00 C ATOM 851 CG ARG A 57 -7.457 -11.579 3.307 1.00 0.00 C ATOM 852 CD ARG A 57 -7.199 -12.692 4.306 1.00 0.00 C ATOM 853 NE ARG A 57 -8.222 -13.728 4.261 1.00 0.00 N ATOM 854 CZ ARG A 57 -8.160 -14.850 4.966 1.00 0.00 C ATOM 855 NH1 ARG A 57 -7.181 -15.031 5.846 1.00 0.00 N ATOM 856 NH2 ARG A 57 -9.096 -15.778 4.814 1.00 0.00 N ATOM 0 H ARG A 57 -4.680 -12.840 3.412 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.766 -11.415 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.682 -10.621 4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.497 -9.760 2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.256 -10.935 3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.800 -12.006 2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.225 -13.138 4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.156 -12.272 5.311 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.029 -13.583 3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.476 -14.307 5.980 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.135 -15.894 6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.861 -15.628 4.156 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.051 -16.642 5.355 1.00 0.00 H new ATOM 867 N VAL A 58 -3.189 -10.802 0.920 1.00 0.00 N ATOM 868 CA VAL A 58 -2.004 -10.044 0.684 1.00 0.00 C ATOM 869 C VAL A 58 -2.330 -8.837 -0.179 1.00 0.00 C ATOM 870 O VAL A 58 -3.284 -8.128 0.150 1.00 0.00 O ATOM 871 CB VAL A 58 -0.836 -10.894 0.119 1.00 0.00 C ATOM 872 CG1 VAL A 58 0.196 -11.138 1.196 1.00 0.00 C ATOM 873 CG2 VAL A 58 -1.324 -12.221 -0.448 1.00 0.00 C ATOM 0 H VAL A 58 -3.340 -11.572 0.268 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.637 -9.687 1.646 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.383 -10.332 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.012 -11.736 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.586 -10.183 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.265 -11.671 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.475 -12.786 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.815 -12.794 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.032 -12.033 -1.255 1.00 0.00 H new ATOM 883 N PRO A 59 -1.690 -8.655 -1.354 1.00 0.00 N ATOM 884 CA PRO A 59 -1.295 -7.349 -1.827 1.00 0.00 C ATOM 885 C PRO A 59 -1.887 -6.199 -1.005 1.00 0.00 C ATOM 886 O PRO A 59 -2.709 -5.424 -1.487 1.00 0.00 O ATOM 887 CB PRO A 59 -1.787 -7.367 -3.269 1.00 0.00 C ATOM 888 CG PRO A 59 -1.686 -8.807 -3.690 1.00 0.00 C ATOM 889 CD PRO A 59 -1.486 -9.632 -2.435 1.00 0.00 C ATOM 0 HA PRO A 59 -0.224 -7.168 -1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.812 -7.004 -3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.176 -6.725 -3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.590 -9.118 -4.214 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.853 -8.948 -4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.200 -10.454 -2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.490 -10.072 -2.397 1.00 0.00 H new ATOM 894 N VAL A 60 -1.454 -6.111 0.251 1.00 0.00 N ATOM 895 CA VAL A 60 -2.104 -5.246 1.225 1.00 0.00 C ATOM 896 C VAL A 60 -1.462 -3.878 1.247 1.00 0.00 C ATOM 897 O VAL A 60 -0.248 -3.750 1.402 1.00 0.00 O ATOM 898 CB VAL A 60 -2.083 -5.841 2.657 1.00 0.00 C ATOM 899 CG1 VAL A 60 -3.500 -6.002 3.189 1.00 0.00 C ATOM 900 CG2 VAL A 60 -1.364 -7.178 2.686 1.00 0.00 C ATOM 0 H VAL A 60 -0.655 -6.630 0.615 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.144 -5.161 0.909 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.540 -5.146 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.466 -6.421 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.991 -5.029 3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.060 -6.672 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.366 -7.570 3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.874 -7.880 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.336 -7.045 2.350 1.00 0.00 H new ATOM 910 N LEU A 61 -2.290 -2.864 1.096 1.00 0.00 N ATOM 911 CA LEU A 61 -1.821 -1.498 1.052 1.00 0.00 C ATOM 912 C LEU A 61 -1.828 -0.914 2.463 1.00 0.00 C ATOM 913 O LEU A 61 -2.879 -0.584 3.019 1.00 0.00 O ATOM 914 CB LEU A 61 -2.690 -0.688 0.079 1.00 0.00 C ATOM 915 CG LEU A 61 -2.112 0.652 -0.389 1.00 0.00 C ATOM 916 CD1 LEU A 61 -2.358 1.732 0.646 1.00 0.00 C ATOM 917 CD2 LEU A 61 -0.622 0.524 -0.680 1.00 0.00 C ATOM 0 H LEU A 61 -3.301 -2.965 1.001 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.796 -1.457 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.885 -1.303 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.652 -0.499 0.555 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.619 0.936 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.940 2.675 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.430 1.847 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.881 1.451 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.232 1.487 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.100 0.212 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.467 -0.219 -1.463 1.00 0.00 H new ATOM 928 N PHE A 62 -0.639 -0.826 3.032 1.00 0.00 N ATOM 929 CA PHE A 62 -0.441 -0.386 4.403 1.00 0.00 C ATOM 930 C PHE A 62 -0.116 1.103 4.451 1.00 0.00 C ATOM 931 O PHE A 62 0.678 1.601 3.648 1.00 0.00 O ATOM 932 CB PHE A 62 0.695 -1.207 5.024 1.00 0.00 C ATOM 933 CG PHE A 62 1.142 -0.744 6.380 1.00 0.00 C ATOM 934 CD1 PHE A 62 0.425 -1.077 7.515 1.00 0.00 C ATOM 935 CD2 PHE A 62 2.292 0.015 6.517 1.00 0.00 C ATOM 936 CE1 PHE A 62 0.848 -0.659 8.763 1.00 0.00 C ATOM 937 CE2 PHE A 62 2.717 0.437 7.757 1.00 0.00 C ATOM 938 CZ PHE A 62 1.994 0.101 8.883 1.00 0.00 C ATOM 0 H PHE A 62 0.228 -1.061 2.549 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.358 -0.541 4.971 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.374 -2.246 5.099 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.550 -1.185 4.349 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.474 -1.669 7.425 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.863 0.280 5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.282 -0.927 9.643 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.615 1.030 7.848 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.324 0.432 9.857 1.00 0.00 H new ATOM 947 N ALA A 63 -0.731 1.802 5.398 1.00 0.00 N ATOM 948 CA ALA A 63 -0.523 3.230 5.565 1.00 0.00 C ATOM 949 C ALA A 63 0.622 3.505 6.529 1.00 0.00 C ATOM 950 O ALA A 63 0.511 3.264 7.735 1.00 0.00 O ATOM 951 CB ALA A 63 -1.797 3.888 6.060 1.00 0.00 C ATOM 0 H ALA A 63 -1.384 1.395 6.067 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.258 3.653 4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.630 4.958 6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.596 3.725 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.082 3.454 7.018 1.00 0.00 H new ATOM 957 N VAL A 64 1.727 3.991 5.989 1.00 0.00 N ATOM 958 CA VAL A 64 2.877 4.359 6.801 1.00 0.00 C ATOM 959 C VAL A 64 2.699 5.789 7.303 1.00 0.00 C ATOM 960 O VAL A 64 1.994 6.578 6.671 1.00 0.00 O ATOM 961 CB VAL A 64 4.203 4.232 6.011 1.00 0.00 C ATOM 962 CG1 VAL A 64 5.407 4.423 6.920 1.00 0.00 C ATOM 963 CG2 VAL A 64 4.277 2.883 5.318 1.00 0.00 C ATOM 0 H VAL A 64 1.853 4.141 4.988 1.00 0.00 H new ATOM 0 HA VAL A 64 2.935 3.672 7.645 1.00 0.00 H new ATOM 0 HB VAL A 64 4.221 5.019 5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.322 4.328 6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.367 5.413 7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.396 3.665 7.703 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.214 2.808 4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.229 2.088 6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.440 2.783 4.627 1.00 0.00 H new ATOM 973 N ASN A 65 3.321 6.107 8.441 1.00 0.00 N ATOM 974 CA ASN A 65 3.136 7.399 9.115 1.00 0.00 C ATOM 975 C ASN A 65 1.744 7.444 9.735 1.00 0.00 C ATOM 976 O ASN A 65 1.198 8.512 10.014 1.00 0.00 O ATOM 977 CB ASN A 65 3.333 8.593 8.162 1.00 0.00 C ATOM 978 CG ASN A 65 4.747 8.724 7.627 1.00 0.00 C ATOM 979 OD1 ASN A 65 5.457 7.736 7.422 1.00 0.00 O ATOM 980 ND2 ASN A 65 5.174 9.955 7.405 1.00 0.00 N ATOM 0 H ASN A 65 3.966 5.480 8.922 1.00 0.00 H new ATOM 0 HA ASN A 65 3.898 7.486 9.890 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.645 8.493 7.323 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.066 9.511 8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.118 10.111 7.053 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.559 10.748 7.586 1.00 0.00 H new ATOM 986 N GLU A 66 1.194 6.259 9.961 1.00 0.00 N ATOM 987 CA GLU A 66 -0.145 6.103 10.508 1.00 0.00 C ATOM 988 C GLU A 66 -0.262 4.726 11.155 1.00 0.00 C ATOM 989 O GLU A 66 -0.882 4.567 12.210 1.00 0.00 O ATOM 990 CB GLU A 66 -1.187 6.264 9.397 1.00 0.00 C ATOM 991 CG GLU A 66 -2.621 6.317 9.892 1.00 0.00 C ATOM 992 CD GLU A 66 -2.888 7.506 10.796 1.00 0.00 C ATOM 993 OE1 GLU A 66 -2.987 8.641 10.281 1.00 0.00 O ATOM 994 OE2 GLU A 66 -3.006 7.309 12.021 1.00 0.00 O ATOM 0 H GLU A 66 1.667 5.376 9.769 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.327 6.870 11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.972 7.177 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.086 5.435 8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.295 6.359 9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.848 5.398 10.432 1.00 0.00 H new ATOM 999 N ASP A 67 0.340 3.734 10.496 1.00 0.00 N ATOM 1000 CA ASP A 67 0.468 2.376 11.029 1.00 0.00 C ATOM 1001 C ASP A 67 -0.886 1.667 11.070 1.00 0.00 C ATOM 1002 O ASP A 67 -1.373 1.286 12.134 1.00 0.00 O ATOM 1003 CB ASP A 67 1.120 2.399 12.423 1.00 0.00 C ATOM 1004 CG ASP A 67 1.625 1.040 12.875 1.00 0.00 C ATOM 1005 OD1 ASP A 67 2.632 0.558 12.315 1.00 0.00 O ATOM 1006 OD2 ASP A 67 1.047 0.467 13.824 1.00 0.00 O ATOM 0 H ASP A 67 0.755 3.851 9.572 1.00 0.00 H new ATOM 0 HA ASP A 67 1.116 1.812 10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.952 3.103 12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.396 2.769 13.149 1.00 0.00 H new ATOM 1010 N LYS A 68 -1.500 1.522 9.899 1.00 0.00 N ATOM 1011 CA LYS A 68 -2.765 0.796 9.768 1.00 0.00 C ATOM 1012 C LYS A 68 -2.933 0.293 8.337 1.00 0.00 C ATOM 1013 O LYS A 68 -2.309 0.821 7.417 1.00 0.00 O ATOM 1014 CB LYS A 68 -3.963 1.688 10.129 1.00 0.00 C ATOM 1015 CG LYS A 68 -4.226 2.799 9.119 1.00 0.00 C ATOM 1016 CD LYS A 68 -5.610 3.420 9.282 1.00 0.00 C ATOM 1017 CE LYS A 68 -5.652 4.503 10.355 1.00 0.00 C ATOM 1018 NZ LYS A 68 -5.445 3.968 11.726 1.00 0.00 N ATOM 0 H LYS A 68 -1.142 1.899 9.022 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.736 -0.046 10.460 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.855 1.067 10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.791 2.133 11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.468 3.574 9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.127 2.399 8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.926 3.847 8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.326 2.638 9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.886 5.248 10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.614 5.014 10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.983 4.541 12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.774 2.982 11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.433 4.006 11.964 1.00 0.00 H new ATOM 1028 N GLU A 69 -3.768 -0.720 8.150 1.00 0.00 N ATOM 1029 CA GLU A 69 -4.087 -1.205 6.817 1.00 0.00 C ATOM 1030 C GLU A 69 -5.185 -0.346 6.197 1.00 0.00 C ATOM 1031 O GLU A 69 -6.133 0.047 6.880 1.00 0.00 O ATOM 1032 CB GLU A 69 -4.552 -2.667 6.852 1.00 0.00 C ATOM 1033 CG GLU A 69 -3.522 -3.651 7.391 1.00 0.00 C ATOM 1034 CD GLU A 69 -3.466 -3.697 8.908 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -4.382 -3.152 9.565 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -2.513 -4.296 9.450 1.00 0.00 O ATOM 0 H GLU A 69 -4.236 -1.221 8.905 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.180 -1.142 6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.452 -2.733 7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.830 -2.970 5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.750 -4.648 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.538 -3.382 7.007 1.00 0.00 H new ATOM 1041 N LEU A 70 -5.049 -0.041 4.912 1.00 0.00 N ATOM 1042 CA LEU A 70 -6.079 0.703 4.199 1.00 0.00 C ATOM 1043 C LEU A 70 -6.856 -0.227 3.286 1.00 0.00 C ATOM 1044 O LEU A 70 -8.051 -0.458 3.471 1.00 0.00 O ATOM 1045 CB LEU A 70 -5.474 1.820 3.347 1.00 0.00 C ATOM 1046 CG LEU A 70 -4.654 2.869 4.092 1.00 0.00 C ATOM 1047 CD1 LEU A 70 -4.167 3.920 3.111 1.00 0.00 C ATOM 1048 CD2 LEU A 70 -5.466 3.511 5.206 1.00 0.00 C ATOM 0 H LEU A 70 -4.240 -0.296 4.345 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.739 1.143 4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.838 1.365 2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.284 2.327 2.823 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.795 2.380 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.581 4.670 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.547 3.447 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.023 4.399 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.856 4.254 5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.346 3.994 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.779 2.745 5.916 1.00 0.00 H new ATOM 1059 N CYS A 71 -6.154 -0.766 2.303 1.00 0.00 N ATOM 1060 CA CYS A 71 -6.766 -1.606 1.294 1.00 0.00 C ATOM 1061 C CYS A 71 -5.954 -2.879 1.102 1.00 0.00 C ATOM 1062 O CYS A 71 -4.961 -3.107 1.792 1.00 0.00 O ATOM 1063 CB CYS A 71 -6.869 -0.839 -0.030 1.00 0.00 C ATOM 1064 SG CYS A 71 -7.917 0.633 0.043 1.00 0.00 S ATOM 0 H CYS A 71 -5.150 -0.633 2.184 1.00 0.00 H new ATOM 0 HA CYS A 71 -7.768 -1.881 1.624 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -5.868 -0.543 -0.344 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -7.258 -1.510 -0.796 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.937 1.210 -1.122 1.00 0.00 H new ATOM 1069 N HIS A 72 -6.380 -3.701 0.163 1.00 0.00 N ATOM 1070 CA HIS A 72 -5.703 -4.949 -0.149 1.00 0.00 C ATOM 1071 C HIS A 72 -5.789 -5.207 -1.641 1.00 0.00 C ATOM 1072 O HIS A 72 -6.185 -4.313 -2.390 1.00 0.00 O ATOM 1073 CB HIS A 72 -6.308 -6.121 0.637 1.00 0.00 C ATOM 1074 CG HIS A 72 -7.806 -6.216 0.545 1.00 0.00 C ATOM 1075 ND1 HIS A 72 -8.482 -6.506 -0.623 1.00 0.00 N ATOM 1076 CD2 HIS A 72 -8.761 -6.047 1.491 1.00 0.00 C ATOM 1077 CE1 HIS A 72 -9.780 -6.512 -0.388 1.00 0.00 C ATOM 1078 NE2 HIS A 72 -9.977 -6.239 0.886 1.00 0.00 N ATOM 0 H HIS A 72 -7.207 -3.524 -0.407 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.657 -4.863 0.145 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -5.873 -7.052 0.272 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -6.025 -6.026 1.685 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -8.046 -6.687 -1.527 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.595 -5.805 2.531 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.552 -6.708 -1.118 1.00 0.00 H new ATOM 1085 N TYR A 73 -5.389 -6.412 -2.059 1.00 0.00 N ATOM 1086 CA TYR A 73 -5.503 -6.839 -3.454 1.00 0.00 C ATOM 1087 C TYR A 73 -6.815 -6.366 -4.066 1.00 0.00 C ATOM 1088 O TYR A 73 -7.877 -6.503 -3.444 1.00 0.00 O ATOM 1089 CB TYR A 73 -5.386 -8.364 -3.569 1.00 0.00 C ATOM 1090 CG TYR A 73 -6.343 -9.135 -2.689 1.00 0.00 C ATOM 1091 CD1 TYR A 73 -6.107 -9.255 -1.331 1.00 0.00 C ATOM 1092 CD2 TYR A 73 -7.475 -9.742 -3.216 1.00 0.00 C ATOM 1093 CE1 TYR A 73 -6.972 -9.954 -0.515 1.00 0.00 C ATOM 1094 CE2 TYR A 73 -8.350 -10.444 -2.406 1.00 0.00 C ATOM 1095 CZ TYR A 73 -8.090 -10.548 -1.056 1.00 0.00 C ATOM 1096 OH TYR A 73 -8.957 -11.237 -0.239 1.00 0.00 O ATOM 0 H TYR A 73 -4.980 -7.114 -1.443 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.682 -6.384 -4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.555 -8.651 -4.607 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.366 -8.657 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.230 -8.793 -0.902 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.676 -9.665 -4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.773 -10.035 0.543 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.230 -10.907 -2.828 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.696 -11.595 -0.774 1.00 0.00 H new ATOM 1105 N PHE A 74 -6.715 -5.817 -5.279 1.00 0.00 N ATOM 1106 CA PHE A 74 -7.828 -5.137 -5.943 1.00 0.00 C ATOM 1107 C PHE A 74 -8.068 -3.787 -5.276 1.00 0.00 C ATOM 1108 O PHE A 74 -8.745 -3.693 -4.252 1.00 0.00 O ATOM 1109 CB PHE A 74 -9.103 -5.988 -5.947 1.00 0.00 C ATOM 1110 CG PHE A 74 -9.024 -7.195 -6.837 1.00 0.00 C ATOM 1111 CD1 PHE A 74 -9.283 -7.090 -8.194 1.00 0.00 C ATOM 1112 CD2 PHE A 74 -8.698 -8.437 -6.315 1.00 0.00 C ATOM 1113 CE1 PHE A 74 -9.218 -8.199 -9.014 1.00 0.00 C ATOM 1114 CE2 PHE A 74 -8.633 -9.549 -7.130 1.00 0.00 C ATOM 1115 CZ PHE A 74 -8.894 -9.430 -8.481 1.00 0.00 C ATOM 0 H PHE A 74 -5.856 -5.832 -5.830 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.559 -4.979 -6.987 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.315 -6.313 -4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.941 -5.368 -6.265 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -9.539 -6.129 -8.616 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.493 -8.536 -5.259 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.420 -8.103 -10.071 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.378 -10.512 -6.712 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.845 -10.299 -9.120 1.00 0.00 H new ATOM 1124 N LEU A 75 -7.478 -2.752 -5.870 1.00 0.00 N ATOM 1125 CA LEU A 75 -7.470 -1.410 -5.296 1.00 0.00 C ATOM 1126 C LEU A 75 -8.885 -0.872 -5.117 1.00 0.00 C ATOM 1127 O LEU A 75 -9.684 -0.886 -6.053 1.00 0.00 O ATOM 1128 CB LEU A 75 -6.672 -0.474 -6.205 1.00 0.00 C ATOM 1129 CG LEU A 75 -6.339 0.894 -5.610 1.00 0.00 C ATOM 1130 CD1 LEU A 75 -5.355 0.748 -4.460 1.00 0.00 C ATOM 1131 CD2 LEU A 75 -5.770 1.808 -6.681 1.00 0.00 C ATOM 0 H LEU A 75 -6.992 -2.821 -6.764 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.004 -1.461 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.740 -0.969 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.235 -0.323 -7.126 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.257 1.338 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.129 1.731 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.793 0.121 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.437 0.287 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.537 2.779 -6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.861 1.367 -7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.503 1.935 -7.478 1.00 0.00 H new ATOM 1142 N ASP A 76 -9.194 -0.397 -3.914 1.00 0.00 N ATOM 1143 CA ASP A 76 -10.501 0.188 -3.643 1.00 0.00 C ATOM 1144 C ASP A 76 -10.549 1.606 -4.182 1.00 0.00 C ATOM 1145 O ASP A 76 -11.599 2.079 -4.617 1.00 0.00 O ATOM 1146 CB ASP A 76 -10.808 0.198 -2.141 1.00 0.00 C ATOM 1147 CG ASP A 76 -10.869 -1.193 -1.538 1.00 0.00 C ATOM 1148 OD1 ASP A 76 -11.856 -1.919 -1.794 1.00 0.00 O ATOM 1149 OD2 ASP A 76 -9.946 -1.555 -0.784 1.00 0.00 O ATOM 0 H ASP A 76 -8.560 -0.406 -3.115 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.254 -0.423 -4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.044 0.779 -1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.760 0.702 -1.974 1.00 0.00 H new ATOM 1153 N SER A 77 -9.390 2.270 -4.142 1.00 0.00 N ATOM 1154 CA SER A 77 -9.219 3.639 -4.634 1.00 0.00 C ATOM 1155 C SER A 77 -9.931 4.666 -3.751 1.00 0.00 C ATOM 1156 O SER A 77 -9.320 5.643 -3.324 1.00 0.00 O ATOM 1157 CB SER A 77 -9.695 3.759 -6.084 1.00 0.00 C ATOM 1158 OG SER A 77 -8.999 2.847 -6.914 1.00 0.00 O ATOM 0 H SER A 77 -8.534 1.866 -3.762 1.00 0.00 H new ATOM 0 HA SER A 77 -8.152 3.860 -4.593 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.766 3.564 -6.138 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.538 4.777 -6.441 1.00 0.00 H new ATOM 0 HG SER A 77 -9.317 2.936 -7.837 1.00 0.00 H new ATOM 1163 N ASP A 78 -11.205 4.435 -3.474 1.00 0.00 N ATOM 1164 CA ASP A 78 -12.017 5.357 -2.684 1.00 0.00 C ATOM 1165 C ASP A 78 -11.393 5.624 -1.316 1.00 0.00 C ATOM 1166 O ASP A 78 -11.255 6.772 -0.896 1.00 0.00 O ATOM 1167 CB ASP A 78 -13.420 4.778 -2.509 1.00 0.00 C ATOM 1168 CG ASP A 78 -14.357 5.718 -1.778 1.00 0.00 C ATOM 1169 OD1 ASP A 78 -14.814 6.702 -2.396 1.00 0.00 O ATOM 1170 OD2 ASP A 78 -14.657 5.463 -0.595 1.00 0.00 O ATOM 0 H ASP A 78 -11.708 3.605 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.070 6.306 -3.217 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.837 4.546 -3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.354 3.839 -1.960 1.00 0.00 H new ATOM 1174 N VAL A 79 -11.000 4.553 -0.640 1.00 0.00 N ATOM 1175 CA VAL A 79 -10.436 4.652 0.703 1.00 0.00 C ATOM 1176 C VAL A 79 -9.114 5.414 0.723 1.00 0.00 C ATOM 1177 O VAL A 79 -8.959 6.359 1.494 1.00 0.00 O ATOM 1178 CB VAL A 79 -10.266 3.256 1.336 1.00 0.00 C ATOM 1179 CG1 VAL A 79 -9.363 3.296 2.562 1.00 0.00 C ATOM 1180 CG2 VAL A 79 -11.631 2.713 1.710 1.00 0.00 C ATOM 0 H VAL A 79 -11.061 3.601 -1.000 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.147 5.222 1.301 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.790 2.603 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.269 2.293 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.378 3.664 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.795 3.960 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.519 1.726 2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.106 3.385 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.250 2.638 0.816 1.00 0.00 H new ATOM 1190 N ILE A 80 -8.163 5.029 -0.126 1.00 0.00 N ATOM 1191 CA ILE A 80 -6.886 5.734 -0.163 1.00 0.00 C ATOM 1192 C ILE A 80 -7.068 7.144 -0.730 1.00 0.00 C ATOM 1193 O ILE A 80 -6.304 8.050 -0.415 1.00 0.00 O ATOM 1194 CB ILE A 80 -5.799 4.966 -0.961 1.00 0.00 C ATOM 1195 CG1 ILE A 80 -4.473 5.726 -0.941 1.00 0.00 C ATOM 1196 CG2 ILE A 80 -6.229 4.736 -2.387 1.00 0.00 C ATOM 1197 CD1 ILE A 80 -3.888 5.858 0.437 1.00 0.00 C ATOM 0 H ILE A 80 -8.249 4.252 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.534 5.802 0.866 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.663 3.998 -0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.758 5.214 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.625 6.720 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.447 4.196 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.148 4.150 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.404 5.696 -2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.948 6.407 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.586 6.396 1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.705 4.866 0.851 1.00 0.00 H new ATOM 1208 N GLY A 81 -8.097 7.331 -1.547 1.00 0.00 N ATOM 1209 CA GLY A 81 -8.415 8.655 -2.044 1.00 0.00 C ATOM 1210 C GLY A 81 -8.825 9.584 -0.920 1.00 0.00 C ATOM 1211 O GLY A 81 -8.367 10.721 -0.844 1.00 0.00 O ATOM 0 H GLY A 81 -8.717 6.590 -1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.550 9.068 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.221 8.587 -2.774 1.00 0.00 H new ATOM 1215 N ALA A 82 -9.675 9.077 -0.031 1.00 0.00 N ATOM 1216 CA ALA A 82 -10.116 9.823 1.142 1.00 0.00 C ATOM 1217 C ALA A 82 -8.962 10.028 2.120 1.00 0.00 C ATOM 1218 O ALA A 82 -8.965 10.962 2.927 1.00 0.00 O ATOM 1219 CB ALA A 82 -11.257 9.075 1.822 1.00 0.00 C ATOM 0 H ALA A 82 -10.075 8.142 -0.104 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.466 10.804 0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.586 9.633 2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.089 8.969 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.913 8.087 2.129 1.00 0.00 H new ATOM 1225 N TYR A 83 -7.984 9.142 2.042 1.00 0.00 N ATOM 1226 CA TYR A 83 -6.852 9.148 2.954 1.00 0.00 C ATOM 1227 C TYR A 83 -5.718 10.047 2.460 1.00 0.00 C ATOM 1228 O TYR A 83 -5.301 10.974 3.154 1.00 0.00 O ATOM 1229 CB TYR A 83 -6.351 7.711 3.140 1.00 0.00 C ATOM 1230 CG TYR A 83 -5.133 7.569 4.022 1.00 0.00 C ATOM 1231 CD1 TYR A 83 -5.255 7.476 5.400 1.00 0.00 C ATOM 1232 CD2 TYR A 83 -3.861 7.510 3.470 1.00 0.00 C ATOM 1233 CE1 TYR A 83 -4.141 7.332 6.204 1.00 0.00 C ATOM 1234 CE2 TYR A 83 -2.743 7.368 4.265 1.00 0.00 C ATOM 1235 CZ TYR A 83 -2.889 7.280 5.630 1.00 0.00 C ATOM 1236 OH TYR A 83 -1.779 7.131 6.429 1.00 0.00 O ATOM 0 H TYR A 83 -7.952 8.398 1.345 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.186 9.555 3.909 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.158 7.112 3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.122 7.292 2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.235 7.517 5.851 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -3.745 7.576 2.398 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -4.250 7.261 7.276 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.760 7.326 3.819 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.974 7.111 5.870 1.00 0.00 H new ATOM 1245 N LEU A 84 -5.234 9.771 1.259 1.00 0.00 N ATOM 1246 CA LEU A 84 -4.027 10.409 0.750 1.00 0.00 C ATOM 1247 C LEU A 84 -4.269 11.877 0.398 1.00 0.00 C ATOM 1248 O LEU A 84 -3.433 12.735 0.684 1.00 0.00 O ATOM 1249 CB LEU A 84 -3.508 9.644 -0.475 1.00 0.00 C ATOM 1250 CG LEU A 84 -2.025 9.250 -0.430 1.00 0.00 C ATOM 1251 CD1 LEU A 84 -1.134 10.473 -0.591 1.00 0.00 C ATOM 1252 CD2 LEU A 84 -1.691 8.534 0.870 1.00 0.00 C ATOM 0 H LEU A 84 -5.661 9.106 0.614 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.274 10.381 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.103 8.738 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.677 10.256 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.839 8.569 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.088 10.168 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.341 10.950 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.334 11.178 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.635 8.266 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.904 9.192 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.295 7.631 0.953 1.00 0.00 H new ATOM 1263 N SER A 85 -5.422 12.166 -0.185 1.00 0.00 N ATOM 1264 CA SER A 85 -5.710 13.509 -0.670 1.00 0.00 C ATOM 1265 C SER A 85 -7.217 13.713 -0.803 1.00 0.00 C ATOM 1266 O SER A 85 -7.996 12.803 -0.526 1.00 0.00 O ATOM 1267 CB SER A 85 -5.002 13.735 -2.015 1.00 0.00 C ATOM 1268 OG SER A 85 -5.171 15.062 -2.492 1.00 0.00 O ATOM 0 H SER A 85 -6.172 11.491 -0.334 1.00 0.00 H new ATOM 0 HA SER A 85 -5.335 14.240 0.047 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.939 13.523 -1.904 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.392 13.033 -2.752 1.00 0.00 H new ATOM 0 HG SER A 85 -4.704 15.164 -3.348 1.00 0.00 H new