USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 LYS NZ :NH3+ -178:sc= 1.02 (180deg=0) USER MOD Set 1.2: A 81 THR OG1 : rot 88:sc= 2.16 USER MOD Single : A 6 THR OG1 : rot 33:sc= 0.221 USER MOD Single : A 8 GLN : amide:sc= 0.362 X(o=0.36,f=-0.091) USER MOD Single : A 15 GLN : amide:sc= 0.484 K(o=0.48,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.00475 X(o=-0.0047,f=0) USER MOD Single : A 29 TYR OH : rot 1:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0105 X(o=-0.01,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -28:sc= 0.199 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 10:sc= 0.848 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0631 K(o=-0.063,f=-1.1) USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= -0.0207 (180deg=-0.226) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 9.702 -6.500 1.342 1.00 0.00 N ATOM 83 CA THR A 6 9.439 -7.250 2.564 1.00 0.00 C ATOM 84 C THR A 6 10.657 -8.108 2.907 1.00 0.00 C ATOM 85 O THR A 6 11.600 -8.184 2.122 1.00 0.00 O ATOM 86 CB THR A 6 8.187 -8.115 2.361 1.00 0.00 C ATOM 87 OG1 THR A 6 7.125 -7.320 1.884 1.00 0.00 O ATOM 88 CG2 THR A 6 7.725 -8.772 3.658 1.00 0.00 C ATOM 0 HA THR A 6 9.259 -6.570 3.396 1.00 0.00 H new ATOM 0 HB THR A 6 8.455 -8.891 1.644 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.480 -6.610 1.310 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.837 -9.374 3.465 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.519 -9.411 4.045 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.489 -8.002 4.392 1.00 0.00 H new ATOM 96 N ASP A 7 10.649 -8.758 4.075 1.00 0.00 N ATOM 97 CA ASP A 7 11.737 -9.622 4.509 1.00 0.00 C ATOM 98 C ASP A 7 12.043 -10.715 3.483 1.00 0.00 C ATOM 99 O ASP A 7 13.117 -11.308 3.515 1.00 0.00 O ATOM 100 CB ASP A 7 11.373 -10.243 5.861 1.00 0.00 C ATOM 101 CG ASP A 7 10.097 -11.080 5.787 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.181 -12.221 5.287 1.00 0.00 O ATOM 103 OD2 ASP A 7 9.045 -10.568 6.233 1.00 0.00 O ATOM 0 H ASP A 7 9.882 -8.695 4.744 1.00 0.00 H new ATOM 0 HA ASP A 7 12.639 -9.018 4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.197 -10.869 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.244 -9.452 6.599 1.00 0.00 H new ATOM 108 N GLN A 8 11.108 -10.984 2.569 1.00 0.00 N ATOM 109 CA GLN A 8 11.316 -11.966 1.521 1.00 0.00 C ATOM 110 C GLN A 8 12.431 -11.513 0.578 1.00 0.00 C ATOM 111 O GLN A 8 13.361 -12.272 0.310 1.00 0.00 O ATOM 112 CB GLN A 8 10.004 -12.152 0.757 1.00 0.00 C ATOM 113 CG GLN A 8 10.155 -13.110 -0.429 1.00 0.00 C ATOM 114 CD GLN A 8 10.584 -14.506 0.012 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.753 -15.383 0.220 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.890 -14.719 0.161 1.00 0.00 N ATOM 0 H GLN A 8 10.196 -10.528 2.540 1.00 0.00 H new ATOM 0 HA GLN A 8 11.619 -12.916 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.242 -12.534 1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.655 -11.184 0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.208 -13.175 -0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.890 -12.709 -1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.554 -13.966 -0.021 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.227 -15.635 0.457 1.00 0.00 H new ATOM 125 N VAL A 9 12.339 -10.281 0.072 1.00 0.00 N ATOM 126 CA VAL A 9 13.298 -9.754 -0.890 1.00 0.00 C ATOM 127 C VAL A 9 14.522 -9.190 -0.175 1.00 0.00 C ATOM 128 O VAL A 9 15.611 -9.143 -0.746 1.00 0.00 O ATOM 129 CB VAL A 9 12.601 -8.711 -1.783 1.00 0.00 C ATOM 130 CG1 VAL A 9 11.777 -7.724 -0.958 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.606 -7.916 -2.621 1.00 0.00 C ATOM 0 H VAL A 9 11.598 -9.625 0.320 1.00 0.00 H new ATOM 0 HA VAL A 9 13.659 -10.557 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 9 11.943 -9.275 -2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.300 -7.003 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.012 -8.265 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.430 -7.198 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.074 -7.191 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.297 -7.393 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.164 -8.597 -3.263 1.00 0.00 H new ATOM 141 N LEU A 10 14.360 -8.764 1.081 1.00 0.00 N ATOM 142 CA LEU A 10 15.476 -8.270 1.870 1.00 0.00 C ATOM 143 C LEU A 10 16.423 -9.410 2.235 1.00 0.00 C ATOM 144 O LEU A 10 17.621 -9.177 2.380 1.00 0.00 O ATOM 145 CB LEU A 10 14.928 -7.584 3.126 1.00 0.00 C ATOM 146 CG LEU A 10 14.774 -6.071 2.934 1.00 0.00 C ATOM 147 CD1 LEU A 10 13.948 -5.715 1.699 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.098 -5.481 4.168 1.00 0.00 C ATOM 0 H LEU A 10 13.463 -8.754 1.567 1.00 0.00 H new ATOM 0 HA LEU A 10 16.047 -7.547 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.961 -8.017 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.597 -7.777 3.965 1.00 0.00 H new ATOM 0 HG LEU A 10 15.772 -5.656 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 10 13.872 -4.631 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.432 -6.117 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 10 12.950 -6.143 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 10 13.984 -4.404 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.117 -5.937 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.710 -5.680 5.048 1.00 0.00 H new ATOM 160 N VAL A 11 15.918 -10.640 2.385 1.00 0.00 N ATOM 161 CA VAL A 11 16.785 -11.774 2.679 1.00 0.00 C ATOM 162 C VAL A 11 17.422 -12.292 1.393 1.00 0.00 C ATOM 163 O VAL A 11 18.521 -12.840 1.423 1.00 0.00 O ATOM 164 CB VAL A 11 16.006 -12.874 3.408 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.848 -14.147 3.513 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.681 -12.424 4.832 1.00 0.00 C ATOM 0 H VAL A 11 14.927 -10.868 2.308 1.00 0.00 H new ATOM 0 HA VAL A 11 17.586 -11.448 3.343 1.00 0.00 H new ATOM 0 HB VAL A 11 15.094 -13.068 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.279 -14.918 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.104 -14.498 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.762 -13.934 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.127 -13.210 5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.607 -12.222 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.076 -11.518 4.798 1.00 0.00 H new ATOM 176 N GLU A 12 16.750 -12.124 0.252 1.00 0.00 N ATOM 177 CA GLU A 12 17.346 -12.542 -1.008 1.00 0.00 C ATOM 178 C GLU A 12 18.493 -11.609 -1.379 1.00 0.00 C ATOM 179 O GLU A 12 19.529 -12.075 -1.845 1.00 0.00 O ATOM 180 CB GLU A 12 16.291 -12.552 -2.114 1.00 0.00 C ATOM 181 CG GLU A 12 15.326 -13.726 -1.944 1.00 0.00 C ATOM 182 CD GLU A 12 14.298 -13.747 -3.069 1.00 0.00 C ATOM 183 OE1 GLU A 12 13.252 -13.076 -2.916 1.00 0.00 O ATOM 184 OE2 GLU A 12 14.562 -14.434 -4.080 1.00 0.00 O ATOM 0 H GLU A 12 15.819 -11.713 0.178 1.00 0.00 H new ATOM 0 HA GLU A 12 17.739 -13.552 -0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.735 -11.615 -2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.780 -12.617 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.883 -14.663 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.818 -13.649 -0.982 1.00 0.00 H new ATOM 191 N ARG A 13 18.322 -10.298 -1.168 1.00 0.00 N ATOM 192 CA ARG A 13 19.315 -9.316 -1.580 1.00 0.00 C ATOM 193 C ARG A 13 20.595 -9.412 -0.750 1.00 0.00 C ATOM 194 O ARG A 13 21.679 -9.183 -1.283 1.00 0.00 O ATOM 195 CB ARG A 13 18.694 -7.916 -1.513 1.00 0.00 C ATOM 196 CG ARG A 13 19.724 -6.880 -1.958 1.00 0.00 C ATOM 197 CD ARG A 13 19.081 -5.515 -2.200 1.00 0.00 C ATOM 198 NE ARG A 13 20.082 -4.571 -2.711 1.00 0.00 N ATOM 199 CZ ARG A 13 19.815 -3.341 -3.155 1.00 0.00 C ATOM 200 NH1 ARG A 13 18.576 -2.854 -3.138 1.00 0.00 N ATOM 201 NH2 ARG A 13 20.807 -2.594 -3.621 1.00 0.00 N ATOM 0 H ARG A 13 17.501 -9.899 -0.713 1.00 0.00 H new ATOM 0 HA ARG A 13 19.610 -9.524 -2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.813 -7.866 -2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.363 -7.702 -0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.500 -6.788 -1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.212 -7.220 -2.872 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.262 -5.611 -2.913 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.652 -5.136 -1.272 1.00 0.00 H new ATOM 0 HE ARG A 13 21.055 -4.878 -2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.809 -3.424 -2.781 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.394 -1.911 -3.482 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.758 -2.962 -3.637 1.00 0.00 H new ATOM 0 HH22 ARG A 13 20.619 -1.652 -3.964 1.00 0.00 H new ATOM 215 N VAL A 14 20.500 -9.747 0.537 1.00 0.00 N ATOM 216 CA VAL A 14 21.703 -9.931 1.345 1.00 0.00 C ATOM 217 C VAL A 14 22.439 -11.199 0.922 1.00 0.00 C ATOM 218 O VAL A 14 23.642 -11.315 1.157 1.00 0.00 O ATOM 219 CB VAL A 14 21.367 -9.954 2.834 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.711 -8.638 3.237 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.417 -11.089 3.194 1.00 0.00 C ATOM 0 H VAL A 14 19.621 -9.894 1.033 1.00 0.00 H new ATOM 0 HA VAL A 14 22.365 -9.082 1.174 1.00 0.00 H new ATOM 0 HB VAL A 14 22.305 -10.104 3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.474 -8.661 4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.395 -7.814 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.795 -8.498 2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.208 -11.063 4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.486 -10.974 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.876 -12.043 2.937 1.00 0.00 H new ATOM 231 N GLN A 15 21.728 -12.146 0.303 1.00 0.00 N ATOM 232 CA GLN A 15 22.350 -13.337 -0.253 1.00 0.00 C ATOM 233 C GLN A 15 22.962 -13.044 -1.627 1.00 0.00 C ATOM 234 O GLN A 15 23.759 -13.841 -2.117 1.00 0.00 O ATOM 235 CB GLN A 15 21.324 -14.467 -0.322 1.00 0.00 C ATOM 236 CG GLN A 15 20.884 -14.910 1.080 1.00 0.00 C ATOM 237 CD GLN A 15 19.771 -15.953 1.027 1.00 0.00 C ATOM 238 OE1 GLN A 15 19.213 -16.229 -0.032 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.429 -16.545 2.168 1.00 0.00 N ATOM 0 H GLN A 15 20.717 -12.104 0.177 1.00 0.00 H new ATOM 0 HA GLN A 15 23.165 -13.652 0.398 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.455 -14.137 -0.891 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.751 -15.316 -0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.740 -15.320 1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.541 -14.042 1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.908 -16.298 3.034 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.688 -17.246 2.177 1.00 0.00 H new ATOM 248 N LYS A 16 22.604 -11.915 -2.254 1.00 0.00 N ATOM 249 CA LYS A 16 23.233 -11.475 -3.496 1.00 0.00 C ATOM 250 C LYS A 16 24.568 -10.782 -3.212 1.00 0.00 C ATOM 251 O LYS A 16 25.303 -10.455 -4.142 1.00 0.00 O ATOM 252 CB LYS A 16 22.317 -10.515 -4.266 1.00 0.00 C ATOM 253 CG LYS A 16 20.955 -11.104 -4.632 1.00 0.00 C ATOM 254 CD LYS A 16 21.058 -12.448 -5.353 1.00 0.00 C ATOM 255 CE LYS A 16 19.652 -12.953 -5.670 1.00 0.00 C ATOM 256 NZ LYS A 16 19.695 -14.260 -6.351 1.00 0.00 N ATOM 0 H LYS A 16 21.875 -11.288 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 16 23.411 -12.361 -4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 16 22.163 -9.618 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.823 -10.203 -5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.364 -11.229 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.419 -10.398 -5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.635 -12.339 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 16 21.585 -13.170 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.077 -13.039 -4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.136 -12.229 -6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.726 -14.578 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.223 -14.170 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.166 -14.956 -5.738 1.00 0.00 H new ATOM 270 N GLY A 17 24.877 -10.557 -1.934 1.00 0.00 N ATOM 271 CA GLY A 17 26.110 -9.915 -1.508 1.00 0.00 C ATOM 272 C GLY A 17 25.905 -8.460 -1.088 1.00 0.00 C ATOM 273 O GLY A 17 26.874 -7.778 -0.759 1.00 0.00 O ATOM 0 H GLY A 17 24.267 -10.821 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.535 -10.473 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.835 -9.955 -2.321 1.00 0.00 H new ATOM 277 N ASP A 18 24.660 -7.976 -1.094 1.00 0.00 N ATOM 278 CA ASP A 18 24.348 -6.613 -0.687 1.00 0.00 C ATOM 279 C ASP A 18 24.017 -6.603 0.803 1.00 0.00 C ATOM 280 O ASP A 18 22.850 -6.651 1.193 1.00 0.00 O ATOM 281 CB ASP A 18 23.189 -6.074 -1.532 1.00 0.00 C ATOM 282 CG ASP A 18 23.655 -5.395 -2.815 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.621 -5.896 -3.430 1.00 0.00 O ATOM 284 OD2 ASP A 18 23.031 -4.368 -3.172 1.00 0.00 O ATOM 0 H ASP A 18 23.846 -8.520 -1.381 1.00 0.00 H new ATOM 0 HA ASP A 18 25.206 -5.960 -0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.518 -6.895 -1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.614 -5.363 -0.939 1.00 0.00 H new ATOM 289 N GLN A 19 25.056 -6.536 1.644 1.00 0.00 N ATOM 290 CA GLN A 19 24.907 -6.519 3.089 1.00 0.00 C ATOM 291 C GLN A 19 24.173 -5.254 3.541 1.00 0.00 C ATOM 292 O GLN A 19 23.659 -5.196 4.657 1.00 0.00 O ATOM 293 CB GLN A 19 26.302 -6.652 3.708 1.00 0.00 C ATOM 294 CG GLN A 19 26.261 -6.803 5.233 1.00 0.00 C ATOM 295 CD GLN A 19 26.188 -5.468 5.970 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.379 -4.402 5.390 1.00 0.00 O ATOM 297 NE2 GLN A 19 25.904 -5.515 7.269 1.00 0.00 N ATOM 0 H GLN A 19 26.026 -6.492 1.331 1.00 0.00 H new ATOM 0 HA GLN A 19 24.294 -7.354 3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.806 -7.516 3.275 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.895 -5.774 3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.398 -7.410 5.508 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.149 -7.344 5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 19 25.750 -6.414 7.725 1.00 0.00 H new ATOM 0 HE22 GLN A 19 25.840 -4.652 7.809 1.00 0.00 H new ATOM 306 N LYS A 20 24.116 -4.236 2.673 1.00 0.00 N ATOM 307 CA LYS A 20 23.413 -2.994 2.954 1.00 0.00 C ATOM 308 C LYS A 20 21.927 -3.254 3.192 1.00 0.00 C ATOM 309 O LYS A 20 21.270 -2.476 3.881 1.00 0.00 O ATOM 310 CB LYS A 20 23.617 -2.049 1.765 1.00 0.00 C ATOM 311 CG LYS A 20 22.819 -2.523 0.545 1.00 0.00 C ATOM 312 CD LYS A 20 23.308 -1.866 -0.743 1.00 0.00 C ATOM 313 CE LYS A 20 24.649 -2.474 -1.150 1.00 0.00 C ATOM 314 NZ LYS A 20 25.117 -1.922 -2.435 1.00 0.00 N ATOM 0 H LYS A 20 24.560 -4.258 1.755 1.00 0.00 H new ATOM 0 HA LYS A 20 23.811 -2.539 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.305 -1.041 2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.676 -1.998 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 20 22.902 -3.606 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 20 21.763 -2.296 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 20 22.576 -2.010 -1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 20 23.414 -0.791 -0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 20 25.390 -2.278 -0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 20 24.551 -3.557 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 26.030 -2.353 -2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 24.419 -2.131 -3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 25.233 -0.892 -2.349 1.00 0.00 H new ATOM 328 N ALA A 21 21.394 -4.342 2.630 1.00 0.00 N ATOM 329 CA ALA A 21 19.995 -4.692 2.813 1.00 0.00 C ATOM 330 C ALA A 21 19.785 -5.404 4.146 1.00 0.00 C ATOM 331 O ALA A 21 18.656 -5.462 4.630 1.00 0.00 O ATOM 332 CB ALA A 21 19.529 -5.551 1.638 1.00 0.00 C ATOM 0 H ALA A 21 21.917 -4.993 2.044 1.00 0.00 H new ATOM 0 HA ALA A 21 19.395 -3.782 2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.480 -5.815 1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.646 -4.992 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.128 -6.460 1.592 1.00 0.00 H new ATOM 338 N PHE A 22 20.851 -5.947 4.746 1.00 0.00 N ATOM 339 CA PHE A 22 20.734 -6.590 6.043 1.00 0.00 C ATOM 340 C PHE A 22 20.634 -5.520 7.121 1.00 0.00 C ATOM 341 O PHE A 22 19.903 -5.688 8.089 1.00 0.00 O ATOM 342 CB PHE A 22 21.933 -7.502 6.294 1.00 0.00 C ATOM 343 CG PHE A 22 21.801 -8.281 7.584 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.795 -9.252 7.713 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.672 -8.029 8.653 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.666 -9.970 8.908 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.537 -8.742 9.851 1.00 0.00 C ATOM 348 CZ PHE A 22 21.536 -9.714 9.977 1.00 0.00 C ATOM 0 H PHE A 22 21.792 -5.950 4.352 1.00 0.00 H new ATOM 0 HA PHE A 22 19.835 -7.206 6.066 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.038 -8.197 5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.843 -6.902 6.326 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.121 -9.445 6.891 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.448 -7.284 8.553 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.896 -10.721 9.006 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.204 -8.543 10.677 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.434 -10.267 10.899 1.00 0.00 H new ATOM 358 N ASN A 23 21.363 -4.416 6.955 1.00 0.00 N ATOM 359 CA ASN A 23 21.305 -3.303 7.885 1.00 0.00 C ATOM 360 C ASN A 23 19.893 -2.724 7.915 1.00 0.00 C ATOM 361 O ASN A 23 19.379 -2.366 8.976 1.00 0.00 O ATOM 362 CB ASN A 23 22.312 -2.258 7.409 1.00 0.00 C ATOM 363 CG ASN A 23 22.075 -0.897 8.037 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.464 -0.646 9.174 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.424 -0.007 7.293 1.00 0.00 N ATOM 0 H ASN A 23 22.005 -4.275 6.175 1.00 0.00 H new ATOM 0 HA ASN A 23 21.550 -3.625 8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.321 -2.594 7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.254 -2.169 6.324 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.231 0.924 7.663 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.117 -0.255 6.352 1.00 0.00 H new ATOM 372 N LEU A 24 19.265 -2.642 6.740 1.00 0.00 N ATOM 373 CA LEU A 24 17.902 -2.154 6.621 1.00 0.00 C ATOM 374 C LEU A 24 16.891 -3.213 7.062 1.00 0.00 C ATOM 375 O LEU A 24 15.744 -2.877 7.360 1.00 0.00 O ATOM 376 CB LEU A 24 17.642 -1.742 5.171 1.00 0.00 C ATOM 377 CG LEU A 24 18.566 -0.609 4.718 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.352 -0.368 3.227 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.264 0.680 5.478 1.00 0.00 C ATOM 0 H LEU A 24 19.690 -2.912 5.853 1.00 0.00 H new ATOM 0 HA LEU A 24 17.780 -1.292 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.781 -2.605 4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.604 -1.427 5.065 1.00 0.00 H new ATOM 0 HG LEU A 24 19.598 -0.896 4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.005 0.438 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.585 -1.278 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.313 -0.091 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.934 1.469 5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.231 0.977 5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.410 0.516 6.546 1.00 0.00 H new ATOM 391 N LEU A 25 17.302 -4.482 7.105 1.00 0.00 N ATOM 392 CA LEU A 25 16.447 -5.565 7.555 1.00 0.00 C ATOM 393 C LEU A 25 16.451 -5.679 9.077 1.00 0.00 C ATOM 394 O LEU A 25 15.388 -5.790 9.683 1.00 0.00 O ATOM 395 CB LEU A 25 16.898 -6.862 6.879 1.00 0.00 C ATOM 396 CG LEU A 25 16.092 -8.093 7.316 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.611 -7.945 6.974 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.652 -9.317 6.598 1.00 0.00 C ATOM 0 H LEU A 25 18.237 -4.780 6.828 1.00 0.00 H new ATOM 0 HA LEU A 25 15.415 -5.360 7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.814 -6.747 5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.952 -7.030 7.100 1.00 0.00 H new ATOM 0 HG LEU A 25 16.178 -8.200 8.397 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.072 -8.835 7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.206 -7.070 7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.497 -7.824 5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.091 -10.202 6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.565 -9.178 5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.701 -9.446 6.863 1.00 0.00 H new ATOM 410 N VAL A 26 17.628 -5.658 9.715 1.00 0.00 N ATOM 411 CA VAL A 26 17.679 -5.867 11.155 1.00 0.00 C ATOM 412 C VAL A 26 17.047 -4.707 11.901 1.00 0.00 C ATOM 413 O VAL A 26 16.581 -4.912 13.014 1.00 0.00 O ATOM 414 CB VAL A 26 19.103 -6.087 11.670 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.772 -7.261 10.964 1.00 0.00 C ATOM 416 CG2 VAL A 26 19.955 -4.828 11.535 1.00 0.00 C ATOM 0 H VAL A 26 18.531 -5.502 9.266 1.00 0.00 H new ATOM 0 HA VAL A 26 17.109 -6.776 11.346 1.00 0.00 H new ATOM 0 HB VAL A 26 19.024 -6.324 12.731 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.782 -7.391 11.352 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.195 -8.169 11.141 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.818 -7.063 9.893 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.959 -5.026 11.912 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.012 -4.538 10.486 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.504 -4.020 12.111 1.00 0.00 H new ATOM 426 N VAL A 27 17.013 -3.500 11.327 1.00 0.00 N ATOM 427 CA VAL A 27 16.437 -2.362 12.033 1.00 0.00 C ATOM 428 C VAL A 27 14.920 -2.512 12.165 1.00 0.00 C ATOM 429 O VAL A 27 14.330 -1.974 13.100 1.00 0.00 O ATOM 430 CB VAL A 27 16.852 -1.050 11.353 1.00 0.00 C ATOM 431 CG1 VAL A 27 16.281 -0.944 9.939 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.388 0.153 12.170 1.00 0.00 C ATOM 0 H VAL A 27 17.371 -3.292 10.395 1.00 0.00 H new ATOM 0 HA VAL A 27 16.831 -2.333 13.049 1.00 0.00 H new ATOM 0 HB VAL A 27 17.940 -1.053 11.292 1.00 0.00 H new ATOM 0 HG11 VAL A 27 16.596 -0.002 9.489 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.647 -1.775 9.336 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.192 -0.979 9.983 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.693 1.072 11.670 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.302 0.133 12.262 1.00 0.00 H new ATOM 0 HG23 VAL A 27 16.837 0.114 13.162 1.00 0.00 H new ATOM 442 N ARG A 28 14.277 -3.239 11.241 1.00 0.00 N ATOM 443 CA ARG A 28 12.847 -3.509 11.336 1.00 0.00 C ATOM 444 C ARG A 28 12.570 -4.426 12.522 1.00 0.00 C ATOM 445 O ARG A 28 11.528 -4.326 13.165 1.00 0.00 O ATOM 446 CB ARG A 28 12.363 -4.203 10.059 1.00 0.00 C ATOM 447 CG ARG A 28 12.844 -3.495 8.797 1.00 0.00 C ATOM 448 CD ARG A 28 12.339 -4.218 7.549 1.00 0.00 C ATOM 449 NE ARG A 28 10.878 -4.151 7.444 1.00 0.00 N ATOM 450 CZ ARG A 28 10.217 -3.103 6.945 1.00 0.00 C ATOM 451 NH1 ARG A 28 10.876 -2.033 6.504 1.00 0.00 N ATOM 452 NH2 ARG A 28 8.891 -3.117 6.881 1.00 0.00 N ATOM 0 H ARG A 28 14.729 -3.647 10.423 1.00 0.00 H new ATOM 0 HA ARG A 28 12.322 -2.563 11.467 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.717 -5.234 10.052 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.274 -4.240 10.059 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.490 -2.464 8.795 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.933 -3.458 8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.789 -3.773 6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.655 -5.261 7.578 1.00 0.00 H new ATOM 0 HE ARG A 28 10.335 -4.950 7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.895 -2.009 6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.362 -1.238 6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.373 -3.930 7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.390 -2.315 6.499 1.00 0.00 H new ATOM 466 N TYR A 29 13.519 -5.318 12.800 1.00 0.00 N ATOM 467 CA TYR A 29 13.391 -6.301 13.860 1.00 0.00 C ATOM 468 C TYR A 29 14.155 -5.899 15.118 1.00 0.00 C ATOM 469 O TYR A 29 14.007 -6.549 16.145 1.00 0.00 O ATOM 470 CB TYR A 29 13.842 -7.658 13.329 1.00 0.00 C ATOM 471 CG TYR A 29 12.889 -8.205 12.292 1.00 0.00 C ATOM 472 CD1 TYR A 29 13.026 -7.851 10.943 1.00 0.00 C ATOM 473 CD2 TYR A 29 11.850 -9.056 12.691 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.115 -8.325 9.991 1.00 0.00 C ATOM 475 CE2 TYR A 29 10.940 -9.544 11.747 1.00 0.00 C ATOM 476 CZ TYR A 29 11.064 -9.178 10.390 1.00 0.00 C ATOM 477 OH TYR A 29 10.177 -9.656 9.471 1.00 0.00 O ATOM 0 H TYR A 29 14.401 -5.375 12.290 1.00 0.00 H new ATOM 0 HA TYR A 29 12.345 -6.362 14.160 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.837 -7.565 12.894 1.00 0.00 H new ATOM 0 HB3 TYR A 29 13.921 -8.363 14.156 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.839 -7.209 10.636 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.751 -9.336 13.729 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.216 -8.039 8.955 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.142 -10.202 12.057 1.00 0.00 H new ATOM 0 HH TYR A 29 10.414 -9.320 8.582 1.00 0.00 H new ATOM 487 N GLN A 30 14.967 -4.840 15.056 1.00 0.00 N ATOM 488 CA GLN A 30 15.779 -4.399 16.179 1.00 0.00 C ATOM 489 C GLN A 30 14.891 -3.991 17.350 1.00 0.00 C ATOM 490 O GLN A 30 15.299 -4.099 18.504 1.00 0.00 O ATOM 491 CB GLN A 30 16.671 -3.249 15.704 1.00 0.00 C ATOM 492 CG GLN A 30 17.687 -2.821 16.756 1.00 0.00 C ATOM 493 CD GLN A 30 18.646 -1.790 16.176 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.663 -0.637 16.597 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.453 -2.202 15.200 1.00 0.00 N ATOM 0 H GLN A 30 15.076 -4.266 14.220 1.00 0.00 H new ATOM 0 HA GLN A 30 16.412 -5.211 16.536 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.197 -3.552 14.799 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.047 -2.396 15.439 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.171 -2.402 17.620 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.245 -3.689 17.107 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.410 -3.168 14.876 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.114 -1.551 14.776 1.00 0.00 H new ATOM 504 N HIS A 31 13.673 -3.525 17.055 1.00 0.00 N ATOM 505 CA HIS A 31 12.698 -3.208 18.088 1.00 0.00 C ATOM 506 C HIS A 31 11.904 -4.449 18.481 1.00 0.00 C ATOM 507 O HIS A 31 11.449 -4.555 19.620 1.00 0.00 O ATOM 508 CB HIS A 31 11.767 -2.115 17.568 1.00 0.00 C ATOM 509 CG HIS A 31 10.772 -1.653 18.597 1.00 0.00 C ATOM 510 ND1 HIS A 31 11.065 -0.843 19.696 1.00 0.00 N ATOM 511 CD2 HIS A 31 9.440 -1.955 18.605 1.00 0.00 C ATOM 512 CE1 HIS A 31 9.895 -0.678 20.340 1.00 0.00 C ATOM 513 NE2 HIS A 31 8.908 -1.336 19.710 1.00 0.00 N ATOM 0 H HIS A 31 13.344 -3.361 16.104 1.00 0.00 H new ATOM 0 HA HIS A 31 13.216 -2.853 18.979 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.363 -1.264 17.239 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.232 -2.486 16.694 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.910 -2.561 17.885 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.767 -0.096 21.241 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.931 -1.370 20.002 1.00 0.00 H new ATOM 521 N LYS A 32 11.732 -5.394 17.548 1.00 0.00 N ATOM 522 CA LYS A 32 10.928 -6.588 17.789 1.00 0.00 C ATOM 523 C LYS A 32 11.682 -7.631 18.613 1.00 0.00 C ATOM 524 O LYS A 32 11.095 -8.254 19.496 1.00 0.00 O ATOM 525 CB LYS A 32 10.480 -7.180 16.450 1.00 0.00 C ATOM 526 CG LYS A 32 9.671 -6.167 15.639 1.00 0.00 C ATOM 527 CD LYS A 32 9.226 -6.796 14.323 1.00 0.00 C ATOM 528 CE LYS A 32 8.419 -5.775 13.524 1.00 0.00 C ATOM 529 NZ LYS A 32 7.959 -6.343 12.240 1.00 0.00 N ATOM 0 H LYS A 32 12.144 -5.349 16.616 1.00 0.00 H new ATOM 0 HA LYS A 32 10.054 -6.296 18.371 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.353 -7.493 15.878 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.878 -8.071 16.627 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.801 -5.842 16.210 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.273 -5.280 15.443 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.094 -7.120 13.749 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.623 -7.683 14.516 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.559 -5.449 14.109 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.030 -4.892 13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.414 -5.627 11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.782 -6.631 11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.357 -7.171 12.423 1.00 0.00 H new ATOM 543 N VAL A 33 12.977 -7.834 18.344 1.00 0.00 N ATOM 544 CA VAL A 33 13.741 -8.845 19.062 1.00 0.00 C ATOM 545 C VAL A 33 14.255 -8.296 20.388 1.00 0.00 C ATOM 546 O VAL A 33 14.528 -9.067 21.305 1.00 0.00 O ATOM 547 CB VAL A 33 14.894 -9.394 18.215 1.00 0.00 C ATOM 548 CG1 VAL A 33 14.390 -9.885 16.861 1.00 0.00 C ATOM 549 CG2 VAL A 33 16.006 -8.368 18.014 1.00 0.00 C ATOM 0 H VAL A 33 13.507 -7.316 17.643 1.00 0.00 H new ATOM 0 HA VAL A 33 13.067 -9.675 19.272 1.00 0.00 H new ATOM 0 HB VAL A 33 15.314 -10.234 18.768 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.227 -10.270 16.279 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.658 -10.678 17.011 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.925 -9.058 16.324 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.799 -8.805 17.408 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.604 -7.490 17.508 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.410 -8.075 18.983 1.00 0.00 H new ATOM 559 N ALA A 34 14.390 -6.974 20.503 1.00 0.00 N ATOM 560 CA ALA A 34 14.787 -6.367 21.762 1.00 0.00 C ATOM 561 C ALA A 34 13.635 -6.432 22.765 1.00 0.00 C ATOM 562 O ALA A 34 13.858 -6.365 23.971 1.00 0.00 O ATOM 563 CB ALA A 34 15.221 -4.924 21.518 1.00 0.00 C ATOM 0 H ALA A 34 14.230 -6.313 19.743 1.00 0.00 H new ATOM 0 HA ALA A 34 15.629 -6.917 22.182 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.519 -4.469 22.463 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.064 -4.909 20.827 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.391 -4.362 21.090 1.00 0.00 H new ATOM 569 N SER A 35 12.401 -6.569 22.270 1.00 0.00 N ATOM 570 CA SER A 35 11.231 -6.653 23.133 1.00 0.00 C ATOM 571 C SER A 35 11.101 -8.059 23.704 1.00 0.00 C ATOM 572 O SER A 35 10.762 -8.227 24.876 1.00 0.00 O ATOM 573 CB SER A 35 9.991 -6.293 22.319 1.00 0.00 C ATOM 574 OG SER A 35 8.866 -6.182 23.166 1.00 0.00 O ATOM 0 H SER A 35 12.192 -6.624 21.273 1.00 0.00 H new ATOM 0 HA SER A 35 11.335 -5.956 23.964 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.153 -5.352 21.793 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.811 -7.055 21.561 1.00 0.00 H new ATOM 0 HG SER A 35 8.077 -5.949 22.633 1.00 0.00 H new ATOM 580 N LEU A 36 11.369 -9.070 22.876 1.00 0.00 N ATOM 581 CA LEU A 36 11.239 -10.453 23.306 1.00 0.00 C ATOM 582 C LEU A 36 12.457 -10.926 24.090 1.00 0.00 C ATOM 583 O LEU A 36 12.336 -11.853 24.882 1.00 0.00 O ATOM 584 CB LEU A 36 10.931 -11.356 22.108 1.00 0.00 C ATOM 585 CG LEU A 36 12.098 -11.549 21.135 1.00 0.00 C ATOM 586 CD1 LEU A 36 13.073 -12.645 21.562 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.542 -11.971 19.780 1.00 0.00 C ATOM 0 H LEU A 36 11.675 -8.953 21.910 1.00 0.00 H new ATOM 0 HA LEU A 36 10.397 -10.515 23.996 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.619 -12.333 22.477 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.086 -10.937 21.562 1.00 0.00 H new ATOM 0 HG LEU A 36 12.632 -10.599 21.107 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.874 -12.726 20.827 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.497 -12.396 22.535 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.545 -13.596 21.630 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.363 -12.112 19.078 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.992 -12.906 19.888 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.872 -11.197 19.405 1.00 0.00 H new ATOM 599 N VAL A 37 13.626 -10.314 23.888 1.00 0.00 N ATOM 600 CA VAL A 37 14.825 -10.719 24.609 1.00 0.00 C ATOM 601 C VAL A 37 14.984 -9.970 25.934 1.00 0.00 C ATOM 602 O VAL A 37 15.689 -10.443 26.822 1.00 0.00 O ATOM 603 CB VAL A 37 16.047 -10.603 23.693 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.607 -9.189 23.686 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.153 -11.550 24.153 1.00 0.00 C ATOM 0 H VAL A 37 13.763 -9.542 23.235 1.00 0.00 H new ATOM 0 HA VAL A 37 14.727 -11.767 24.891 1.00 0.00 H new ATOM 0 HB VAL A 37 15.716 -10.866 22.688 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.473 -9.144 23.026 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.843 -8.497 23.331 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.907 -8.911 24.697 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.013 -11.454 23.490 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.449 -11.297 25.171 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.787 -12.577 24.126 1.00 0.00 H new ATOM 615 N SER A 38 14.339 -8.804 26.088 1.00 0.00 N ATOM 616 CA SER A 38 14.443 -8.013 27.310 1.00 0.00 C ATOM 617 C SER A 38 13.743 -8.701 28.490 1.00 0.00 C ATOM 618 O SER A 38 13.899 -8.277 29.635 1.00 0.00 O ATOM 619 CB SER A 38 13.871 -6.617 27.067 1.00 0.00 C ATOM 620 OG SER A 38 14.049 -5.797 28.201 1.00 0.00 O ATOM 0 H SER A 38 13.738 -8.392 25.374 1.00 0.00 H new ATOM 0 HA SER A 38 15.496 -7.923 27.576 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.360 -6.164 26.205 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.810 -6.691 26.829 1.00 0.00 H new ATOM 0 HG SER A 38 14.069 -6.354 29.007 1.00 0.00 H new ATOM 626 N ARG A 39 12.972 -9.767 28.230 1.00 0.00 N ATOM 627 CA ARG A 39 12.376 -10.568 29.298 1.00 0.00 C ATOM 628 C ARG A 39 13.270 -11.744 29.686 1.00 0.00 C ATOM 629 O ARG A 39 12.944 -12.474 30.621 1.00 0.00 O ATOM 630 CB ARG A 39 10.963 -11.021 28.922 1.00 0.00 C ATOM 631 CG ARG A 39 10.963 -11.920 27.690 1.00 0.00 C ATOM 632 CD ARG A 39 9.543 -12.385 27.367 1.00 0.00 C ATOM 633 NE ARG A 39 9.019 -13.264 28.420 1.00 0.00 N ATOM 634 CZ ARG A 39 7.787 -13.778 28.419 1.00 0.00 C ATOM 635 NH1 ARG A 39 6.940 -13.511 27.431 1.00 0.00 N ATOM 636 NH2 ARG A 39 7.400 -14.569 29.417 1.00 0.00 N ATOM 0 H ARG A 39 12.749 -10.091 27.289 1.00 0.00 H new ATOM 0 HA ARG A 39 12.291 -9.935 30.181 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.518 -11.555 29.761 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.340 -10.147 28.734 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.378 -11.380 26.839 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.605 -12.784 27.863 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.891 -11.519 27.255 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.539 -12.913 26.413 1.00 0.00 H new ATOM 0 HE ARG A 39 9.634 -13.496 29.200 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.228 -12.907 26.661 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.001 -13.910 27.442 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.044 -14.781 30.179 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.459 -14.964 29.420 1.00 0.00 H new ATOM 650 N TYR A 40 14.388 -11.934 28.978 1.00 0.00 N ATOM 651 CA TYR A 40 15.338 -12.995 29.280 1.00 0.00 C ATOM 652 C TYR A 40 16.643 -12.429 29.842 1.00 0.00 C ATOM 653 O TYR A 40 17.358 -13.142 30.539 1.00 0.00 O ATOM 654 CB TYR A 40 15.600 -13.833 28.025 1.00 0.00 C ATOM 655 CG TYR A 40 14.387 -14.585 27.517 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.028 -15.814 28.096 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.624 -14.064 26.466 1.00 0.00 C ATOM 658 CE1 TYR A 40 12.904 -16.513 27.625 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.508 -14.759 25.982 1.00 0.00 C ATOM 660 CZ TYR A 40 12.138 -15.987 26.565 1.00 0.00 C ATOM 661 OH TYR A 40 11.050 -16.666 26.107 1.00 0.00 O ATOM 0 H TYR A 40 14.654 -11.355 28.182 1.00 0.00 H new ATOM 0 HA TYR A 40 14.905 -13.637 30.047 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.965 -13.178 27.234 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.394 -14.548 28.239 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.617 -16.222 28.904 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.898 -13.117 26.024 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.627 -17.454 28.076 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.932 -14.354 25.163 1.00 0.00 H new ATOM 0 HH TYR A 40 10.635 -16.164 25.375 1.00 0.00 H new ATOM 671 N VAL A 41 16.956 -11.163 29.550 1.00 0.00 N ATOM 672 CA VAL A 41 18.125 -10.479 30.091 1.00 0.00 C ATOM 673 C VAL A 41 17.743 -9.051 30.485 1.00 0.00 C ATOM 674 O VAL A 41 16.779 -8.507 29.947 1.00 0.00 O ATOM 675 CB VAL A 41 19.289 -10.487 29.088 1.00 0.00 C ATOM 676 CG1 VAL A 41 19.764 -11.913 28.811 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.931 -9.798 27.773 1.00 0.00 C ATOM 0 H VAL A 41 16.397 -10.582 28.925 1.00 0.00 H new ATOM 0 HA VAL A 41 18.465 -11.011 30.979 1.00 0.00 H new ATOM 0 HB VAL A 41 20.098 -9.921 29.550 1.00 0.00 H new ATOM 0 HG11 VAL A 41 20.588 -11.890 28.098 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.101 -12.371 29.741 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.942 -12.496 28.396 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.788 -9.831 27.100 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.087 -10.311 27.312 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.663 -8.760 27.968 1.00 0.00 H new ATOM 687 N PRO A 42 18.475 -8.427 31.419 1.00 0.00 N ATOM 688 CA PRO A 42 18.163 -7.102 31.931 1.00 0.00 C ATOM 689 C PRO A 42 18.444 -6.023 30.888 1.00 0.00 C ATOM 690 O PRO A 42 19.038 -6.289 29.843 1.00 0.00 O ATOM 691 CB PRO A 42 19.051 -6.937 33.164 1.00 0.00 C ATOM 692 CG PRO A 42 20.275 -7.781 32.817 1.00 0.00 C ATOM 693 CD PRO A 42 19.662 -8.961 32.066 1.00 0.00 C ATOM 0 HA PRO A 42 17.106 -6.998 32.177 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.315 -5.893 33.335 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.557 -7.293 34.068 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.985 -7.231 32.199 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.812 -8.103 33.709 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.360 -9.367 31.334 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.407 -9.772 32.748 1.00 0.00 H new ATOM 701 N SER A 43 18.011 -4.791 31.181 1.00 0.00 N ATOM 702 CA SER A 43 18.162 -3.658 30.277 1.00 0.00 C ATOM 703 C SER A 43 19.631 -3.316 30.022 1.00 0.00 C ATOM 704 O SER A 43 19.932 -2.537 29.119 1.00 0.00 O ATOM 705 CB SER A 43 17.439 -2.446 30.862 1.00 0.00 C ATOM 706 OG SER A 43 16.079 -2.760 31.086 1.00 0.00 O ATOM 0 H SER A 43 17.545 -4.557 32.057 1.00 0.00 H new ATOM 0 HA SER A 43 17.722 -3.932 29.318 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.911 -2.146 31.798 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.518 -1.600 30.180 1.00 0.00 H new ATOM 0 HG SER A 43 15.621 -1.980 31.463 1.00 0.00 H new ATOM 712 N GLY A 44 20.548 -3.892 30.807 1.00 0.00 N ATOM 713 CA GLY A 44 21.976 -3.671 30.640 1.00 0.00 C ATOM 714 C GLY A 44 22.612 -4.658 29.666 1.00 0.00 C ATOM 715 O GLY A 44 23.722 -4.416 29.194 1.00 0.00 O ATOM 0 H GLY A 44 20.314 -4.523 31.574 1.00 0.00 H new ATOM 0 HA2 GLY A 44 22.143 -2.655 30.283 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.469 -3.754 31.609 1.00 0.00 H new ATOM 719 N ASP A 45 21.925 -5.764 29.356 1.00 0.00 N ATOM 720 CA ASP A 45 22.443 -6.782 28.446 1.00 0.00 C ATOM 721 C ASP A 45 21.588 -6.907 27.191 1.00 0.00 C ATOM 722 O ASP A 45 21.985 -7.564 26.230 1.00 0.00 O ATOM 723 CB ASP A 45 22.532 -8.121 29.174 1.00 0.00 C ATOM 724 CG ASP A 45 23.160 -9.186 28.290 1.00 0.00 C ATOM 725 OD1 ASP A 45 24.207 -8.878 27.677 1.00 0.00 O ATOM 726 OD2 ASP A 45 22.578 -10.293 28.241 1.00 0.00 O ATOM 0 H ASP A 45 20.999 -5.974 29.729 1.00 0.00 H new ATOM 0 HA ASP A 45 23.439 -6.478 28.125 1.00 0.00 H new ATOM 0 HB2 ASP A 45 23.122 -8.005 30.083 1.00 0.00 H new ATOM 0 HB3 ASP A 45 21.535 -8.439 29.479 1.00 0.00 H new ATOM 731 N VAL A 46 20.411 -6.277 27.181 1.00 0.00 N ATOM 732 CA VAL A 46 19.529 -6.400 26.033 1.00 0.00 C ATOM 733 C VAL A 46 20.139 -5.827 24.746 1.00 0.00 C ATOM 734 O VAL A 46 19.871 -6.388 23.686 1.00 0.00 O ATOM 735 CB VAL A 46 18.150 -5.799 26.346 1.00 0.00 C ATOM 736 CG1 VAL A 46 18.180 -4.322 26.721 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.211 -5.922 25.145 1.00 0.00 C ATOM 0 H VAL A 46 20.058 -5.692 27.938 1.00 0.00 H new ATOM 0 HA VAL A 46 19.395 -7.464 25.838 1.00 0.00 H new ATOM 0 HB VAL A 46 17.800 -6.373 27.204 1.00 0.00 H new ATOM 0 HG11 VAL A 46 17.166 -3.978 26.926 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.796 -4.185 27.609 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.599 -3.746 25.896 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.242 -5.489 25.395 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.638 -5.391 24.294 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.083 -6.974 24.890 1.00 0.00 H new ATOM 747 N PRO A 47 20.946 -4.750 24.759 1.00 0.00 N ATOM 748 CA PRO A 47 21.456 -4.196 23.516 1.00 0.00 C ATOM 749 C PRO A 47 22.613 -5.021 22.949 1.00 0.00 C ATOM 750 O PRO A 47 22.844 -4.999 21.740 1.00 0.00 O ATOM 751 CB PRO A 47 21.922 -2.788 23.880 1.00 0.00 C ATOM 752 CG PRO A 47 22.401 -2.954 25.321 1.00 0.00 C ATOM 753 CD PRO A 47 21.414 -3.969 25.894 1.00 0.00 C ATOM 0 HA PRO A 47 20.692 -4.198 22.739 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.722 -2.444 23.224 1.00 0.00 H new ATOM 0 HB3 PRO A 47 21.113 -2.061 23.803 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.427 -3.319 25.366 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.373 -2.011 25.867 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.895 -4.607 26.636 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.584 -3.469 26.393 1.00 0.00 H new ATOM 761 N ASP A 48 23.343 -5.750 23.797 1.00 0.00 N ATOM 762 CA ASP A 48 24.506 -6.503 23.353 1.00 0.00 C ATOM 763 C ASP A 48 24.100 -7.864 22.800 1.00 0.00 C ATOM 764 O ASP A 48 24.731 -8.374 21.877 1.00 0.00 O ATOM 765 CB ASP A 48 25.466 -6.672 24.530 1.00 0.00 C ATOM 766 CG ASP A 48 26.778 -7.318 24.087 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.548 -6.629 23.379 1.00 0.00 O ATOM 768 OD2 ASP A 48 27.002 -8.491 24.455 1.00 0.00 O ATOM 0 H ASP A 48 23.145 -5.831 24.794 1.00 0.00 H new ATOM 0 HA ASP A 48 24.999 -5.955 22.550 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.670 -5.700 24.978 1.00 0.00 H new ATOM 0 HB3 ASP A 48 24.997 -7.286 25.299 1.00 0.00 H new ATOM 773 N VAL A 49 23.041 -8.462 23.355 1.00 0.00 N ATOM 774 CA VAL A 49 22.560 -9.752 22.893 1.00 0.00 C ATOM 775 C VAL A 49 21.755 -9.583 21.606 1.00 0.00 C ATOM 776 O VAL A 49 21.665 -10.519 20.814 1.00 0.00 O ATOM 777 CB VAL A 49 21.755 -10.422 24.012 1.00 0.00 C ATOM 778 CG1 VAL A 49 21.059 -11.691 23.525 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.701 -10.801 25.149 1.00 0.00 C ATOM 0 H VAL A 49 22.504 -8.066 24.127 1.00 0.00 H new ATOM 0 HA VAL A 49 23.399 -10.406 22.654 1.00 0.00 H new ATOM 0 HB VAL A 49 20.996 -9.715 24.347 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.499 -12.137 24.347 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.376 -11.442 22.713 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.805 -12.401 23.167 1.00 0.00 H new ATOM 0 HG21 VAL A 49 22.135 -11.278 25.949 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.458 -11.492 24.778 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.186 -9.904 25.533 1.00 0.00 H new ATOM 789 N VAL A 50 21.171 -8.401 21.380 1.00 0.00 N ATOM 790 CA VAL A 50 20.489 -8.124 20.122 1.00 0.00 C ATOM 791 C VAL A 50 21.520 -7.931 19.018 1.00 0.00 C ATOM 792 O VAL A 50 21.275 -8.312 17.874 1.00 0.00 O ATOM 793 CB VAL A 50 19.596 -6.887 20.274 1.00 0.00 C ATOM 794 CG1 VAL A 50 19.088 -6.390 18.920 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.389 -7.236 21.142 1.00 0.00 C ATOM 0 H VAL A 50 21.159 -7.631 22.048 1.00 0.00 H new ATOM 0 HA VAL A 50 19.852 -8.966 19.853 1.00 0.00 H new ATOM 0 HB VAL A 50 20.194 -6.101 20.735 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.459 -5.512 19.067 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.936 -6.126 18.288 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.507 -7.176 18.438 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.753 -6.357 21.251 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.822 -8.038 20.671 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.730 -7.562 22.125 1.00 0.00 H new ATOM 805 N GLN A 51 22.677 -7.346 19.340 1.00 0.00 N ATOM 806 CA GLN A 51 23.721 -7.174 18.346 1.00 0.00 C ATOM 807 C GLN A 51 24.346 -8.523 18.015 1.00 0.00 C ATOM 808 O GLN A 51 24.597 -8.801 16.847 1.00 0.00 O ATOM 809 CB GLN A 51 24.762 -6.183 18.869 1.00 0.00 C ATOM 810 CG GLN A 51 25.881 -5.980 17.845 1.00 0.00 C ATOM 811 CD GLN A 51 26.848 -4.876 18.256 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.719 -4.279 19.319 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.832 -4.596 17.407 1.00 0.00 N ATOM 0 H GLN A 51 22.906 -6.991 20.268 1.00 0.00 H new ATOM 0 HA GLN A 51 23.298 -6.769 17.426 1.00 0.00 H new ATOM 0 HB2 GLN A 51 24.284 -5.228 19.087 1.00 0.00 H new ATOM 0 HB3 GLN A 51 25.182 -6.550 19.805 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.430 -6.913 17.721 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.444 -5.736 16.877 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.911 -5.111 16.530 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.508 -3.866 17.632 1.00 0.00 H new ATOM 822 N GLU A 52 24.597 -9.369 19.020 1.00 0.00 N ATOM 823 CA GLU A 52 25.164 -10.682 18.757 1.00 0.00 C ATOM 824 C GLU A 52 24.164 -11.537 17.981 1.00 0.00 C ATOM 825 O GLU A 52 24.560 -12.401 17.204 1.00 0.00 O ATOM 826 CB GLU A 52 25.553 -11.351 20.079 1.00 0.00 C ATOM 827 CG GLU A 52 26.241 -12.694 19.804 1.00 0.00 C ATOM 828 CD GLU A 52 26.726 -13.370 21.086 1.00 0.00 C ATOM 829 OE1 GLU A 52 27.227 -12.654 21.979 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.588 -14.612 21.165 1.00 0.00 O ATOM 0 H GLU A 52 24.418 -9.167 20.004 1.00 0.00 H new ATOM 0 HA GLU A 52 26.062 -10.576 18.148 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.221 -10.700 20.643 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.666 -11.506 20.693 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.547 -13.356 19.287 1.00 0.00 H new ATOM 0 HG3 GLU A 52 27.088 -12.536 19.136 1.00 0.00 H new ATOM 837 N ALA A 53 22.862 -11.299 18.181 1.00 0.00 N ATOM 838 CA ALA A 53 21.836 -12.047 17.478 1.00 0.00 C ATOM 839 C ALA A 53 21.795 -11.658 16.004 1.00 0.00 C ATOM 840 O ALA A 53 21.419 -12.479 15.173 1.00 0.00 O ATOM 841 CB ALA A 53 20.489 -11.799 18.147 1.00 0.00 C ATOM 0 H ALA A 53 22.504 -10.594 18.825 1.00 0.00 H new ATOM 0 HA ALA A 53 22.068 -13.111 17.527 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.714 -12.358 17.623 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.533 -12.126 19.186 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.255 -10.735 18.111 1.00 0.00 H new ATOM 847 N PHE A 54 22.178 -10.423 15.658 1.00 0.00 N ATOM 848 CA PHE A 54 22.208 -10.000 14.265 1.00 0.00 C ATOM 849 C PHE A 54 23.523 -10.393 13.596 1.00 0.00 C ATOM 850 O PHE A 54 23.550 -10.628 12.390 1.00 0.00 O ATOM 851 CB PHE A 54 21.952 -8.495 14.178 1.00 0.00 C ATOM 852 CG PHE A 54 20.549 -8.070 14.569 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.446 -8.884 14.256 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.344 -6.855 15.240 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.152 -8.478 14.605 1.00 0.00 C ATOM 856 CE2 PHE A 54 19.048 -6.440 15.570 1.00 0.00 C ATOM 857 CZ PHE A 54 17.953 -7.256 15.253 1.00 0.00 C ATOM 0 H PHE A 54 22.469 -9.707 16.324 1.00 0.00 H new ATOM 0 HA PHE A 54 21.415 -10.514 13.721 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.666 -7.980 14.821 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.147 -8.165 13.158 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.597 -9.824 13.746 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.190 -6.237 15.503 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.307 -9.110 14.373 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.892 -5.494 16.067 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.953 -6.939 15.510 1.00 0.00 H new ATOM 867 N ILE A 55 24.621 -10.474 14.358 1.00 0.00 N ATOM 868 CA ILE A 55 25.888 -10.937 13.809 1.00 0.00 C ATOM 869 C ILE A 55 25.794 -12.445 13.570 1.00 0.00 C ATOM 870 O ILE A 55 26.314 -12.957 12.581 1.00 0.00 O ATOM 871 CB ILE A 55 27.024 -10.595 14.784 1.00 0.00 C ATOM 872 CG1 ILE A 55 27.151 -9.073 14.944 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.346 -11.181 14.270 1.00 0.00 C ATOM 874 CD1 ILE A 55 28.155 -8.688 16.031 1.00 0.00 C ATOM 0 H ILE A 55 24.652 -10.226 15.347 1.00 0.00 H new ATOM 0 HA ILE A 55 26.100 -10.444 12.861 1.00 0.00 H new ATOM 0 HB ILE A 55 26.794 -11.029 15.757 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.459 -8.634 13.995 1.00 0.00 H new ATOM 0 HG13 ILE A 55 26.175 -8.652 15.188 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.148 -10.935 14.966 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.256 -12.264 14.188 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.574 -10.761 13.291 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.210 -7.602 16.107 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.834 -9.103 16.986 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.138 -9.084 15.775 1.00 0.00 H new ATOM 886 N LYS A 56 25.121 -13.157 14.480 1.00 0.00 N ATOM 887 CA LYS A 56 24.943 -14.597 14.392 1.00 0.00 C ATOM 888 C LYS A 56 23.879 -14.949 13.358 1.00 0.00 C ATOM 889 O LYS A 56 23.970 -15.988 12.707 1.00 0.00 O ATOM 890 CB LYS A 56 24.553 -15.101 15.784 1.00 0.00 C ATOM 891 CG LYS A 56 24.418 -16.623 15.829 1.00 0.00 C ATOM 892 CD LYS A 56 24.001 -17.062 17.234 1.00 0.00 C ATOM 893 CE LYS A 56 25.058 -16.646 18.260 1.00 0.00 C ATOM 894 NZ LYS A 56 24.669 -17.046 19.624 1.00 0.00 N ATOM 0 H LYS A 56 24.684 -12.740 15.302 1.00 0.00 H new ATOM 0 HA LYS A 56 25.867 -15.076 14.067 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.304 -14.783 16.507 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.609 -14.645 16.083 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.679 -16.954 15.100 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.365 -17.090 15.558 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.040 -16.616 17.491 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.867 -18.143 17.259 1.00 0.00 H new ATOM 0 HE2 LYS A 56 26.015 -17.102 18.004 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.199 -15.566 18.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.389 -16.720 20.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.751 -16.619 19.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.592 -18.082 19.673 1.00 0.00 H new ATOM 908 N ALA A 57 22.868 -14.090 13.195 1.00 0.00 N ATOM 909 CA ALA A 57 21.819 -14.340 12.224 1.00 0.00 C ATOM 910 C ALA A 57 22.367 -14.229 10.808 1.00 0.00 C ATOM 911 O ALA A 57 22.041 -15.059 9.974 1.00 0.00 O ATOM 912 CB ALA A 57 20.672 -13.353 12.425 1.00 0.00 C ATOM 0 H ALA A 57 22.761 -13.224 13.723 1.00 0.00 H new ATOM 0 HA ALA A 57 21.443 -15.352 12.371 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.890 -13.549 11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.264 -13.469 13.429 1.00 0.00 H new ATOM 0 HB3 ALA A 57 21.041 -12.335 12.298 1.00 0.00 H new ATOM 918 N TYR A 58 23.198 -13.223 10.517 1.00 0.00 N ATOM 919 CA TYR A 58 23.698 -13.025 9.167 1.00 0.00 C ATOM 920 C TYR A 58 24.528 -14.220 8.701 1.00 0.00 C ATOM 921 O TYR A 58 24.459 -14.620 7.539 1.00 0.00 O ATOM 922 CB TYR A 58 24.557 -11.765 9.152 1.00 0.00 C ATOM 923 CG TYR A 58 25.021 -11.383 7.764 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.100 -10.888 6.830 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.373 -11.529 7.416 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.532 -10.507 5.549 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.810 -11.159 6.135 1.00 0.00 C ATOM 928 CZ TYR A 58 25.891 -10.640 5.198 1.00 0.00 C ATOM 929 OH TYR A 58 26.310 -10.271 3.953 1.00 0.00 O ATOM 0 H TYR A 58 23.533 -12.541 11.198 1.00 0.00 H new ATOM 0 HA TYR A 58 22.853 -12.923 8.486 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.988 -10.939 9.579 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.427 -11.917 9.791 1.00 0.00 H new ATOM 0 HD1 TYR A 58 23.057 -10.800 7.096 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.076 -11.926 8.133 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.825 -10.113 4.834 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.850 -11.271 5.866 1.00 0.00 H new ATOM 0 HH TYR A 58 27.274 -10.425 3.873 1.00 0.00 H new ATOM 939 N ARG A 59 25.316 -14.792 9.614 1.00 0.00 N ATOM 940 CA ARG A 59 26.161 -15.940 9.313 1.00 0.00 C ATOM 941 C ARG A 59 25.331 -17.203 9.116 1.00 0.00 C ATOM 942 O ARG A 59 25.760 -18.126 8.425 1.00 0.00 O ATOM 943 CB ARG A 59 27.141 -16.121 10.472 1.00 0.00 C ATOM 944 CG ARG A 59 28.079 -14.917 10.570 1.00 0.00 C ATOM 945 CD ARG A 59 28.859 -15.014 11.879 1.00 0.00 C ATOM 946 NE ARG A 59 29.888 -13.972 11.962 1.00 0.00 N ATOM 947 CZ ARG A 59 30.683 -13.795 13.021 1.00 0.00 C ATOM 948 NH1 ARG A 59 30.584 -14.586 14.085 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.589 -12.820 13.018 1.00 0.00 N ATOM 0 H ARG A 59 25.383 -14.470 10.580 1.00 0.00 H new ATOM 0 HA ARG A 59 26.700 -15.763 8.382 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.592 -16.239 11.406 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.722 -17.032 10.327 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.763 -14.900 9.722 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.508 -13.989 10.537 1.00 0.00 H new ATOM 0 HD2 ARG A 59 28.174 -14.920 12.721 1.00 0.00 H new ATOM 0 HD3 ARG A 59 29.325 -15.996 11.956 1.00 0.00 H new ATOM 0 HE ARG A 59 30.003 -13.346 11.165 1.00 0.00 H new ATOM 0 HH11 ARG A 59 29.895 -15.338 14.099 1.00 0.00 H new ATOM 0 HH12 ARG A 59 31.197 -14.441 14.887 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.677 -12.208 12.207 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.196 -12.685 13.827 1.00 0.00 H new ATOM 963 N ALA A 60 24.136 -17.241 9.714 1.00 0.00 N ATOM 964 CA ALA A 60 23.202 -18.346 9.549 1.00 0.00 C ATOM 965 C ALA A 60 22.186 -18.060 8.438 1.00 0.00 C ATOM 966 O ALA A 60 21.463 -18.963 8.015 1.00 0.00 O ATOM 967 CB ALA A 60 22.500 -18.591 10.883 1.00 0.00 C ATOM 0 H ALA A 60 23.793 -16.501 10.327 1.00 0.00 H new ATOM 0 HA ALA A 60 23.750 -19.240 9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.796 -19.416 10.777 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.240 -18.840 11.643 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.962 -17.691 11.182 1.00 0.00 H new ATOM 973 N LEU A 61 22.123 -16.814 7.960 1.00 0.00 N ATOM 974 CA LEU A 61 21.161 -16.402 6.956 1.00 0.00 C ATOM 975 C LEU A 61 21.571 -16.915 5.580 1.00 0.00 C ATOM 976 O LEU A 61 20.730 -17.081 4.699 1.00 0.00 O ATOM 977 CB LEU A 61 21.082 -14.876 6.965 1.00 0.00 C ATOM 978 CG LEU A 61 19.874 -14.361 6.188 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.576 -14.722 6.898 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.975 -12.845 6.106 1.00 0.00 C ATOM 0 H LEU A 61 22.745 -16.065 8.266 1.00 0.00 H new ATOM 0 HA LEU A 61 20.181 -16.823 7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.029 -14.522 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.994 -14.463 6.533 1.00 0.00 H new ATOM 0 HG LEU A 61 19.868 -14.815 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.730 -14.344 6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.499 -15.806 6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.569 -14.275 7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.121 -12.453 5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.980 -12.426 7.112 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.896 -12.569 5.593 1.00 0.00 H new ATOM 992 N ASP A 62 22.867 -17.174 5.396 1.00 0.00 N ATOM 993 CA ASP A 62 23.374 -17.795 4.184 1.00 0.00 C ATOM 994 C ASP A 62 22.922 -19.256 4.093 1.00 0.00 C ATOM 995 O ASP A 62 23.087 -19.893 3.055 1.00 0.00 O ATOM 996 CB ASP A 62 24.900 -17.686 4.178 1.00 0.00 C ATOM 997 CG ASP A 62 25.497 -18.193 2.868 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.168 -17.601 1.814 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.279 -19.167 2.930 1.00 0.00 O ATOM 0 H ASP A 62 23.588 -16.958 6.084 1.00 0.00 H new ATOM 0 HA ASP A 62 22.974 -17.280 3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.191 -16.647 4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.309 -18.259 5.010 1.00 0.00 H new ATOM 1004 N SER A 63 22.351 -19.785 5.181 1.00 0.00 N ATOM 1005 CA SER A 63 21.848 -21.148 5.246 1.00 0.00 C ATOM 1006 C SER A 63 20.321 -21.178 5.300 1.00 0.00 C ATOM 1007 O SER A 63 19.730 -22.251 5.417 1.00 0.00 O ATOM 1008 CB SER A 63 22.460 -21.856 6.455 1.00 0.00 C ATOM 1009 OG SER A 63 23.870 -21.828 6.376 1.00 0.00 O ATOM 0 H SER A 63 22.227 -19.265 6.050 1.00 0.00 H new ATOM 0 HA SER A 63 22.142 -21.676 4.339 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.131 -21.372 7.374 1.00 0.00 H new ATOM 0 HB3 SER A 63 22.111 -22.888 6.496 1.00 0.00 H new ATOM 0 HG SER A 63 24.250 -22.283 7.156 1.00 0.00 H new ATOM 1015 N PHE A 64 19.676 -20.010 5.219 1.00 0.00 N ATOM 1016 CA PHE A 64 18.225 -19.901 5.216 1.00 0.00 C ATOM 1017 C PHE A 64 17.669 -20.411 3.884 1.00 0.00 C ATOM 1018 O PHE A 64 18.350 -20.339 2.861 1.00 0.00 O ATOM 1019 CB PHE A 64 17.840 -18.444 5.473 1.00 0.00 C ATOM 1020 CG PHE A 64 16.352 -18.200 5.591 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.641 -18.703 6.688 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.684 -17.464 4.601 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.261 -18.468 6.800 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.305 -17.231 4.715 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.593 -17.731 5.813 1.00 0.00 C ATOM 0 H PHE A 64 20.155 -19.112 5.154 1.00 0.00 H new ATOM 0 HA PHE A 64 17.794 -20.516 6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.324 -18.110 6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.233 -17.829 4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 64 16.155 -19.272 7.449 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.230 -17.078 3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.714 -18.855 7.647 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.791 -16.664 3.953 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.532 -17.549 5.899 1.00 0.00 H new ATOM 1099 N PHE A 70 10.517 -15.638 8.087 1.00 0.00 N ATOM 1100 CA PHE A 70 11.775 -15.051 8.519 1.00 0.00 C ATOM 1101 C PHE A 70 11.694 -14.536 9.953 1.00 0.00 C ATOM 1102 O PHE A 70 12.688 -14.589 10.677 1.00 0.00 O ATOM 1103 CB PHE A 70 12.147 -13.899 7.588 1.00 0.00 C ATOM 1104 CG PHE A 70 13.375 -13.155 8.055 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.629 -13.786 8.035 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.267 -11.835 8.522 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.766 -13.100 8.486 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.407 -11.146 8.966 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.655 -11.780 8.946 1.00 0.00 C ATOM 0 HA PHE A 70 12.538 -15.829 8.482 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.321 -14.288 6.585 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.309 -13.205 7.520 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.718 -14.799 7.672 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.303 -11.348 8.540 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.729 -13.589 8.479 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.321 -10.130 9.322 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.534 -11.252 9.285 1.00 0.00 H new ATOM 1119 N TYR A 71 10.529 -14.042 10.383 1.00 0.00 N ATOM 1120 CA TYR A 71 10.415 -13.491 11.722 1.00 0.00 C ATOM 1121 C TYR A 71 10.510 -14.594 12.773 1.00 0.00 C ATOM 1122 O TYR A 71 11.104 -14.385 13.828 1.00 0.00 O ATOM 1123 CB TYR A 71 9.125 -12.679 11.859 1.00 0.00 C ATOM 1124 CG TYR A 71 7.843 -13.460 11.680 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.305 -14.182 12.757 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.188 -13.454 10.440 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.110 -14.901 12.600 1.00 0.00 C ATOM 1128 CE2 TYR A 71 5.992 -14.170 10.276 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.450 -14.899 11.354 1.00 0.00 C ATOM 1130 OH TYR A 71 4.292 -15.600 11.195 1.00 0.00 O ATOM 0 H TYR A 71 9.672 -14.015 9.831 1.00 0.00 H new ATOM 0 HA TYR A 71 11.250 -12.812 11.893 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.112 -12.214 12.845 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.144 -11.873 11.126 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.813 -14.184 13.710 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.604 -12.899 9.612 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.697 -15.454 13.431 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.486 -14.162 9.322 1.00 0.00 H new ATOM 0 HH TYR A 71 3.967 -15.491 10.277 1.00 0.00 H new ATOM 1140 N THR A 72 9.940 -15.773 12.505 1.00 0.00 N ATOM 1141 CA THR A 72 10.011 -16.882 13.449 1.00 0.00 C ATOM 1142 C THR A 72 11.437 -17.425 13.501 1.00 0.00 C ATOM 1143 O THR A 72 11.903 -17.867 14.550 1.00 0.00 O ATOM 1144 CB THR A 72 9.041 -17.985 13.019 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.742 -17.454 12.883 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.995 -19.106 14.055 1.00 0.00 C ATOM 0 H THR A 72 9.429 -15.979 11.647 1.00 0.00 H new ATOM 0 HA THR A 72 9.732 -16.531 14.442 1.00 0.00 H new ATOM 0 HB THR A 72 9.391 -18.385 12.068 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.780 -16.477 12.943 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.299 -19.877 13.726 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.989 -19.539 14.167 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.664 -18.703 15.012 1.00 0.00 H new ATOM 1154 N TRP A 73 12.128 -17.386 12.362 1.00 0.00 N ATOM 1155 CA TRP A 73 13.492 -17.872 12.248 1.00 0.00 C ATOM 1156 C TRP A 73 14.472 -16.907 12.916 1.00 0.00 C ATOM 1157 O TRP A 73 15.524 -17.333 13.392 1.00 0.00 O ATOM 1158 CB TRP A 73 13.810 -18.042 10.764 1.00 0.00 C ATOM 1159 CG TRP A 73 15.219 -18.436 10.467 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.657 -19.694 10.252 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.397 -17.581 10.356 1.00 0.00 C ATOM 1162 NE1 TRP A 73 17.016 -19.682 10.016 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.528 -18.402 10.101 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.620 -16.192 10.464 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.820 -17.883 9.986 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.912 -15.662 10.342 1.00 0.00 C ATOM 1167 CH2 TRP A 73 19.011 -16.504 10.121 1.00 0.00 C ATOM 0 H TRP A 73 11.750 -17.013 11.491 1.00 0.00 H new ATOM 0 HA TRP A 73 13.593 -18.829 12.759 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.141 -18.795 10.348 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.594 -17.105 10.251 1.00 0.00 H new ATOM 0 HD1 TRP A 73 15.037 -20.578 10.263 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.571 -20.511 9.806 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.786 -15.530 10.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.658 -18.537 9.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.062 -14.595 10.419 1.00 0.00 H new ATOM 0 HH2 TRP A 73 20.005 -16.088 10.055 1.00 0.00 H new ATOM 1178 N LEU A 74 14.138 -15.615 12.957 1.00 0.00 N ATOM 1179 CA LEU A 74 14.991 -14.599 13.554 1.00 0.00 C ATOM 1180 C LEU A 74 14.749 -14.485 15.056 1.00 0.00 C ATOM 1181 O LEU A 74 15.687 -14.248 15.817 1.00 0.00 O ATOM 1182 CB LEU A 74 14.719 -13.272 12.845 1.00 0.00 C ATOM 1183 CG LEU A 74 15.584 -12.127 13.381 1.00 0.00 C ATOM 1184 CD1 LEU A 74 17.070 -12.401 13.164 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.210 -10.844 12.645 1.00 0.00 C ATOM 0 H LEU A 74 13.266 -15.249 12.575 1.00 0.00 H new ATOM 0 HA LEU A 74 16.038 -14.876 13.429 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.902 -13.391 11.777 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.667 -13.012 12.961 1.00 0.00 H new ATOM 0 HG LEU A 74 15.404 -12.032 14.452 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.654 -11.569 13.556 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.351 -13.318 13.683 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.267 -12.513 12.098 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.819 -10.020 13.017 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.387 -10.972 11.577 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.156 -10.622 12.814 1.00 0.00 H new ATOM 1197 N TYR A 75 13.498 -14.649 15.497 1.00 0.00 N ATOM 1198 CA TYR A 75 13.174 -14.551 16.915 1.00 0.00 C ATOM 1199 C TYR A 75 13.910 -15.625 17.709 1.00 0.00 C ATOM 1200 O TYR A 75 14.271 -15.392 18.862 1.00 0.00 O ATOM 1201 CB TYR A 75 11.665 -14.711 17.123 1.00 0.00 C ATOM 1202 CG TYR A 75 10.781 -13.596 16.591 1.00 0.00 C ATOM 1203 CD1 TYR A 75 11.316 -12.393 16.096 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.390 -13.784 16.598 1.00 0.00 C ATOM 1205 CE1 TYR A 75 10.463 -11.383 15.624 1.00 0.00 C ATOM 1206 CE2 TYR A 75 8.534 -12.781 16.124 1.00 0.00 C ATOM 1207 CZ TYR A 75 9.067 -11.573 15.632 1.00 0.00 C ATOM 1208 OH TYR A 75 8.234 -10.598 15.170 1.00 0.00 O ATOM 0 H TYR A 75 12.701 -14.849 14.893 1.00 0.00 H new ATOM 0 HA TYR A 75 13.488 -13.569 17.269 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.354 -15.645 16.654 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.478 -14.813 18.192 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.386 -12.246 16.079 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.976 -14.709 16.972 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.878 -10.457 15.254 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.465 -12.934 16.136 1.00 0.00 H new ATOM 0 HH TYR A 75 7.304 -10.898 15.248 1.00 0.00 H new ATOM 1218 N ARG A 76 14.141 -16.801 17.111 1.00 0.00 N ATOM 1219 CA ARG A 76 14.833 -17.869 17.816 1.00 0.00 C ATOM 1220 C ARG A 76 16.338 -17.624 17.894 1.00 0.00 C ATOM 1221 O ARG A 76 16.993 -18.191 18.766 1.00 0.00 O ATOM 1222 CB ARG A 76 14.506 -19.229 17.192 1.00 0.00 C ATOM 1223 CG ARG A 76 15.048 -19.354 15.771 1.00 0.00 C ATOM 1224 CD ARG A 76 14.797 -20.767 15.244 1.00 0.00 C ATOM 1225 NE ARG A 76 15.453 -20.970 13.949 1.00 0.00 N ATOM 1226 CZ ARG A 76 15.497 -22.143 13.316 1.00 0.00 C ATOM 1227 NH1 ARG A 76 14.902 -23.216 13.826 1.00 0.00 N ATOM 1228 NH2 ARG A 76 16.145 -22.248 12.160 1.00 0.00 N ATOM 0 H ARG A 76 13.861 -17.028 16.157 1.00 0.00 H new ATOM 0 HA ARG A 76 14.470 -17.877 18.844 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.926 -20.022 17.811 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.425 -19.372 17.181 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.566 -18.623 15.122 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.116 -19.136 15.759 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.169 -21.498 15.962 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.725 -20.936 15.143 1.00 0.00 H new ATOM 0 HE ARG A 76 15.902 -20.168 13.507 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.403 -23.149 14.713 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.944 -24.106 13.330 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.607 -21.432 11.759 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.180 -23.144 11.674 1.00 0.00 H new ATOM 1242 N ILE A 77 16.906 -16.792 17.013 1.00 0.00 N ATOM 1243 CA ILE A 77 18.329 -16.474 17.109 1.00 0.00 C ATOM 1244 C ILE A 77 18.575 -15.650 18.367 1.00 0.00 C ATOM 1245 O ILE A 77 19.584 -15.835 19.045 1.00 0.00 O ATOM 1246 CB ILE A 77 18.813 -15.685 15.880 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.472 -16.346 14.536 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.329 -15.500 15.974 1.00 0.00 C ATOM 1249 CD1 ILE A 77 19.051 -17.750 14.368 1.00 0.00 C ATOM 0 H ILE A 77 16.413 -16.338 16.244 1.00 0.00 H new ATOM 0 HA ILE A 77 18.886 -17.410 17.153 1.00 0.00 H new ATOM 0 HB ILE A 77 18.286 -14.731 15.897 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.388 -16.397 14.433 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.840 -15.713 13.728 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.682 -14.942 15.107 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.573 -14.951 16.883 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.814 -16.476 15.999 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.765 -18.147 13.394 1.00 0.00 H new ATOM 0 HD12 ILE A 77 20.138 -17.706 14.437 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.663 -18.400 15.153 1.00 0.00 H new ATOM 1261 N ALA A 78 17.657 -14.732 18.686 1.00 0.00 N ATOM 1262 CA ALA A 78 17.856 -13.792 19.777 1.00 0.00 C ATOM 1263 C ALA A 78 17.638 -14.417 21.153 1.00 0.00 C ATOM 1264 O ALA A 78 18.374 -14.092 22.083 1.00 0.00 O ATOM 1265 CB ALA A 78 16.926 -12.598 19.569 1.00 0.00 C ATOM 0 H ALA A 78 16.768 -14.625 18.198 1.00 0.00 H new ATOM 0 HA ALA A 78 18.897 -13.470 19.760 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.064 -11.884 20.381 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.158 -12.117 18.619 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.891 -12.940 19.559 1.00 0.00 H new ATOM 1271 N VAL A 79 16.650 -15.305 21.311 1.00 0.00 N ATOM 1272 CA VAL A 79 16.379 -15.894 22.617 1.00 0.00 C ATOM 1273 C VAL A 79 17.334 -17.049 22.910 1.00 0.00 C ATOM 1274 O VAL A 79 17.624 -17.323 24.073 1.00 0.00 O ATOM 1275 CB VAL A 79 14.906 -16.298 22.725 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.545 -17.404 21.741 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.584 -16.783 24.135 1.00 0.00 C ATOM 0 H VAL A 79 16.037 -15.624 20.561 1.00 0.00 H new ATOM 0 HA VAL A 79 16.562 -15.145 23.387 1.00 0.00 H new ATOM 0 HB VAL A 79 14.321 -15.410 22.488 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.491 -17.660 21.852 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.730 -17.060 20.723 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.155 -18.284 21.943 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.533 -17.065 24.191 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.205 -17.646 24.373 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.784 -15.984 24.849 1.00 0.00 H new ATOM 1287 N ASN A 80 17.831 -17.733 21.875 1.00 0.00 N ATOM 1288 CA ASN A 80 18.795 -18.803 22.080 1.00 0.00 C ATOM 1289 C ASN A 80 20.167 -18.218 22.404 1.00 0.00 C ATOM 1290 O ASN A 80 20.981 -18.881 23.047 1.00 0.00 O ATOM 1291 CB ASN A 80 18.857 -19.695 20.834 1.00 0.00 C ATOM 1292 CG ASN A 80 17.575 -20.496 20.632 1.00 0.00 C ATOM 1293 OD1 ASN A 80 16.653 -20.442 21.440 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.513 -21.254 19.542 1.00 0.00 N ATOM 0 H ASN A 80 17.582 -17.563 20.901 1.00 0.00 H new ATOM 0 HA ASN A 80 18.480 -19.415 22.925 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.038 -19.076 19.955 1.00 0.00 H new ATOM 0 HB3 ASN A 80 19.701 -20.380 20.921 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.681 -21.814 19.357 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.298 -21.276 18.891 1.00 0.00 H new ATOM 1301 N THR A 81 20.434 -16.980 21.976 1.00 0.00 N ATOM 1302 CA THR A 81 21.686 -16.317 22.307 1.00 0.00 C ATOM 1303 C THR A 81 21.629 -15.768 23.731 1.00 0.00 C ATOM 1304 O THR A 81 22.662 -15.685 24.394 1.00 0.00 O ATOM 1305 CB THR A 81 21.972 -15.203 21.298 1.00 0.00 C ATOM 1306 OG1 THR A 81 22.124 -15.767 20.013 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.270 -14.473 21.638 1.00 0.00 C ATOM 0 H THR A 81 19.799 -16.424 21.403 1.00 0.00 H new ATOM 0 HA THR A 81 22.500 -17.040 22.255 1.00 0.00 H new ATOM 0 HB THR A 81 21.139 -14.501 21.329 1.00 0.00 H new ATOM 0 HG1 THR A 81 21.248 -15.834 19.580 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.448 -13.687 20.904 1.00 0.00 H new ATOM 0 HG22 THR A 81 23.190 -14.031 22.631 1.00 0.00 H new ATOM 0 HG23 THR A 81 24.100 -15.179 21.621 1.00 0.00 H new ATOM 1315 N ALA A 82 20.441 -15.395 24.213 1.00 0.00 N ATOM 1316 CA ALA A 82 20.292 -14.848 25.552 1.00 0.00 C ATOM 1317 C ALA A 82 20.455 -15.936 26.609 1.00 0.00 C ATOM 1318 O ALA A 82 20.971 -15.669 27.693 1.00 0.00 O ATOM 1319 CB ALA A 82 18.920 -14.193 25.666 1.00 0.00 C ATOM 0 H ALA A 82 19.569 -15.465 23.689 1.00 0.00 H new ATOM 0 HA ALA A 82 21.070 -14.105 25.725 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.797 -13.779 26.667 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.836 -13.394 24.930 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.145 -14.937 25.483 1.00 0.00 H new ATOM 1325 N LYS A 83 20.023 -17.163 26.306 1.00 0.00 N ATOM 1326 CA LYS A 83 20.180 -18.282 27.227 1.00 0.00 C ATOM 1327 C LYS A 83 21.612 -18.801 27.184 1.00 0.00 C ATOM 1328 O LYS A 83 22.105 -19.324 28.182 1.00 0.00 O ATOM 1329 CB LYS A 83 19.168 -19.371 26.874 1.00 0.00 C ATOM 1330 CG LYS A 83 17.753 -18.892 27.207 1.00 0.00 C ATOM 1331 CD LYS A 83 16.724 -19.941 26.787 1.00 0.00 C ATOM 1332 CE LYS A 83 15.314 -19.510 27.190 1.00 0.00 C ATOM 1333 NZ LYS A 83 15.155 -19.485 28.656 1.00 0.00 N ATOM 0 H LYS A 83 19.562 -17.403 25.428 1.00 0.00 H new ATOM 0 HA LYS A 83 19.985 -17.955 28.248 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.239 -19.616 25.814 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.393 -20.283 27.428 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.670 -18.699 28.277 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.551 -17.950 26.697 1.00 0.00 H new ATOM 0 HD2 LYS A 83 16.769 -20.090 25.708 1.00 0.00 H new ATOM 0 HD3 LYS A 83 16.963 -20.898 27.251 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.105 -18.521 26.783 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.585 -20.194 26.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.144 -19.441 28.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.570 -20.346 29.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.639 -18.650 29.043 1.00 0.00 H new ATOM 1347 N ASN A 84 22.287 -18.659 26.039 1.00 0.00 N ATOM 1348 CA ASN A 84 23.686 -19.040 25.914 1.00 0.00 C ATOM 1349 C ASN A 84 24.573 -17.990 26.586 1.00 0.00 C ATOM 1350 O ASN A 84 25.665 -18.308 27.057 1.00 0.00 O ATOM 1351 CB ASN A 84 24.023 -19.191 24.431 1.00 0.00 C ATOM 1352 CG ASN A 84 25.470 -19.622 24.226 1.00 0.00 C ATOM 1353 OD1 ASN A 84 25.784 -20.806 24.288 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.358 -18.665 23.981 1.00 0.00 N ATOM 0 H ASN A 84 21.879 -18.280 25.184 1.00 0.00 H new ATOM 0 HA ASN A 84 23.867 -19.992 26.413 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.356 -19.925 23.979 1.00 0.00 H new ATOM 0 HB3 ASN A 84 23.849 -18.244 23.919 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.339 -18.904 23.837 1.00 0.00 H new ATOM 0 HD22 ASN A 84 26.059 -17.691 23.937 1.00 0.00 H new