USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 569 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 60 HIS :FLIP no HD1:sc= -2.38 F(o=-3.7,f=-2.4) USER MOD Set 1.2: A 61 HIS :FLIP no HD1:sc=-0.00676 F(o=-3.7,f=-2.4) USER MOD Set 2.1: A 16 CYS SG : rot -160:sc= 0.0138 USER MOD Set 2.2: A 19 CYS SG : rot -97:sc= 0.931 USER MOD Set 2.3: A 21 THR OG1 : rot 108:sc= 1.41 USER MOD Set 2.4: A 23 SER OG : rot 100:sc= -1.2 USER MOD Set 2.5: A 41 CYS SG : rot 172:sc= 0.11 USER MOD Set 2.6: A 43 HIS : no HD1:sc= 0 X(o=-1.5,f=-1.6) USER MOD Set 2.7: A 44 CYS SG : rot -64:sc= -2.8! USER MOD Set 3.1: A 11 MET CE :methyl -125:sc= -0.544 (180deg=-1.09) USER MOD Set 3.2: A 26 THR OG1 : rot 140:sc= -0.545 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 142:sc= -2.46 (180deg=-4.54!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.689 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= -1.01 (180deg=-1.31) USER MOD Single : A 20 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.43) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -2.04 X(o=-2,f=-2.1) USER MOD Single : A 27 MET CE :methyl -154:sc= -2.46 (180deg=-5.19!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.096 X(o=-0.096,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -110:sc= -2.14! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-3.1) USER MOD Single : A 53 HIS : no HD1:sc= -0.32 K(o=-0.32,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 68 MET CE :methyl -133:sc= -0.208 (180deg=-2.55) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -2.751 -19.796 -2.807 1.00 0.00 N ATOM 118 CA LYS A 9 -3.491 -20.778 -2.024 1.00 0.00 C ATOM 119 C LYS A 9 -2.635 -21.323 -0.885 1.00 0.00 C ATOM 120 O LYS A 9 -1.445 -21.024 -0.793 1.00 0.00 O ATOM 121 CB LYS A 9 -3.959 -21.927 -2.920 1.00 0.00 C ATOM 122 CG LYS A 9 -4.566 -21.466 -4.234 1.00 0.00 C ATOM 123 CD LYS A 9 -5.869 -22.190 -4.530 1.00 0.00 C ATOM 124 CE LYS A 9 -6.776 -21.359 -5.425 1.00 0.00 C ATOM 125 NZ LYS A 9 -7.389 -22.179 -6.507 1.00 0.00 N ATOM 0 HA LYS A 9 -4.362 -20.282 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.112 -22.581 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.695 -22.522 -2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.746 -20.392 -4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.859 -21.642 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.655 -23.144 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.383 -22.413 -3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.563 -20.905 -4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.203 -20.544 -5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.000 -21.577 -7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.639 -22.592 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.957 -22.941 -6.085 1.00 0.00 H new ATOM 139 N MET A 10 -3.249 -22.125 -0.021 1.00 0.00 N ATOM 140 CA MET A 10 -2.542 -22.714 1.110 1.00 0.00 C ATOM 141 C MET A 10 -3.249 -23.974 1.598 1.00 0.00 C ATOM 142 O MET A 10 -4.477 -24.055 1.577 1.00 0.00 O ATOM 143 CB MET A 10 -2.432 -21.702 2.252 1.00 0.00 C ATOM 144 CG MET A 10 -3.775 -21.301 2.841 1.00 0.00 C ATOM 145 SD MET A 10 -3.627 -20.607 4.498 1.00 0.00 S ATOM 146 CE MET A 10 -4.036 -22.034 5.501 1.00 0.00 C ATOM 0 H MET A 10 -4.234 -22.382 -0.083 1.00 0.00 H new ATOM 0 HA MET A 10 -1.540 -22.987 0.778 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.810 -22.124 3.041 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.923 -20.809 1.888 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.251 -20.571 2.187 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.428 -22.173 2.874 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.405 -22.047 6.390 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.083 -21.981 5.800 1.00 0.00 H new ATOM 0 HE3 MET A 10 -3.869 -22.944 4.924 1.00 0.00 H new ATOM 156 N MET A 11 -2.467 -24.955 2.036 1.00 0.00 N ATOM 157 CA MET A 11 -3.020 -26.211 2.529 1.00 0.00 C ATOM 158 C MET A 11 -2.783 -26.357 4.029 1.00 0.00 C ATOM 159 O MET A 11 -1.714 -26.014 4.534 1.00 0.00 O ATOM 160 CB MET A 11 -2.398 -27.394 1.785 1.00 0.00 C ATOM 161 CG MET A 11 -3.345 -28.571 1.616 1.00 0.00 C ATOM 162 SD MET A 11 -2.741 -29.783 0.425 1.00 0.00 S ATOM 163 CE MET A 11 -2.717 -28.801 -1.073 1.00 0.00 C ATOM 0 H MET A 11 -1.449 -24.904 2.060 1.00 0.00 H new ATOM 0 HA MET A 11 -4.095 -26.202 2.348 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.067 -27.061 0.802 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.511 -27.726 2.324 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.490 -29.057 2.581 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.320 -28.205 1.293 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.305 -29.299 -1.844 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.143 -27.818 -0.871 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.689 -28.687 -1.417 1.00 0.00 H new ATOM 173 N ILE A 12 -3.787 -26.867 4.735 1.00 0.00 N ATOM 174 CA ILE A 12 -3.686 -27.059 6.176 1.00 0.00 C ATOM 175 C ILE A 12 -4.565 -28.216 6.640 1.00 0.00 C ATOM 176 O ILE A 12 -5.773 -28.223 6.406 1.00 0.00 O ATOM 177 CB ILE A 12 -4.088 -25.785 6.943 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.405 -25.229 6.397 1.00 0.00 C ATOM 179 CG2 ILE A 12 -2.986 -24.740 6.848 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.352 -24.751 7.475 1.00 0.00 C ATOM 0 H ILE A 12 -4.679 -27.154 4.332 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.643 -27.289 6.391 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.231 -26.040 7.993 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.188 -24.401 5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.899 -26.001 5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.285 -23.846 7.395 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.068 -25.139 7.279 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.815 -24.486 5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.264 -24.370 7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.598 -25.581 8.137 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.877 -23.957 8.051 1.00 0.00 H new ATOM 192 N ALA A 13 -3.949 -29.192 7.299 1.00 0.00 N ATOM 193 CA ALA A 13 -4.676 -30.352 7.799 1.00 0.00 C ATOM 194 C ALA A 13 -5.097 -30.152 9.251 1.00 0.00 C ATOM 195 O ALA A 13 -4.294 -29.744 10.090 1.00 0.00 O ATOM 196 CB ALA A 13 -3.825 -31.606 7.662 1.00 0.00 C ATOM 0 H ALA A 13 -2.949 -29.202 7.499 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.579 -30.471 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.380 -32.465 8.039 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.578 -31.766 6.612 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.906 -31.487 8.236 1.00 0.00 H new ATOM 202 N PHE A 14 -6.361 -30.442 9.540 1.00 0.00 N ATOM 203 CA PHE A 14 -6.890 -30.292 10.891 1.00 0.00 C ATOM 204 C PHE A 14 -7.632 -31.552 11.327 1.00 0.00 C ATOM 205 O PHE A 14 -8.390 -32.140 10.555 1.00 0.00 O ATOM 206 CB PHE A 14 -7.827 -29.085 10.963 1.00 0.00 C ATOM 207 CG PHE A 14 -9.282 -29.457 11.013 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.000 -29.655 9.845 1.00 0.00 C ATOM 209 CD2 PHE A 14 -9.930 -29.609 12.228 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.339 -29.996 9.889 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.268 -29.951 12.278 1.00 0.00 C ATOM 212 CZ PHE A 14 -11.973 -30.145 11.106 1.00 0.00 C ATOM 0 H PHE A 14 -7.038 -30.782 8.857 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.050 -30.133 11.568 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.580 -28.496 11.846 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.653 -28.448 10.096 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.509 -29.542 8.890 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.383 -29.458 13.147 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.889 -30.146 8.972 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.762 -30.066 13.232 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.019 -30.413 11.142 1.00 0.00 H new ATOM 222 N THR A 15 -7.407 -31.963 12.572 1.00 0.00 N ATOM 223 CA THR A 15 -8.051 -33.153 13.112 1.00 0.00 C ATOM 224 C THR A 15 -9.390 -32.811 13.753 1.00 0.00 C ATOM 225 O THR A 15 -9.444 -32.116 14.769 1.00 0.00 O ATOM 226 CB THR A 15 -7.158 -33.850 14.156 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.818 -33.955 13.663 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.692 -35.236 14.486 1.00 0.00 C ATOM 0 H THR A 15 -6.783 -31.488 13.225 1.00 0.00 H new ATOM 0 HA THR A 15 -8.215 -33.831 12.274 1.00 0.00 H new ATOM 0 HB THR A 15 -7.164 -33.249 15.065 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.257 -34.398 14.333 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.045 -35.709 15.225 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.701 -35.151 14.889 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.713 -35.843 13.581 1.00 0.00 H new ATOM 236 N CYS A 16 -10.470 -33.302 13.155 1.00 0.00 N ATOM 237 CA CYS A 16 -11.811 -33.047 13.669 1.00 0.00 C ATOM 238 C CYS A 16 -12.003 -33.698 15.035 1.00 0.00 C ATOM 239 O CYS A 16 -12.082 -34.921 15.147 1.00 0.00 O ATOM 240 CB CYS A 16 -12.863 -33.571 12.690 1.00 0.00 C ATOM 241 SG CYS A 16 -14.501 -32.836 12.903 1.00 0.00 S ATOM 0 H CYS A 16 -10.443 -33.879 12.314 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.932 -31.969 13.780 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.522 -33.383 11.672 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.944 -34.652 12.805 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.396 -33.604 12.355 1.00 0.00 H new ATOM 246 N LYS A 17 -12.074 -32.871 16.073 1.00 0.00 N ATOM 247 CA LYS A 17 -12.256 -33.364 17.433 1.00 0.00 C ATOM 248 C LYS A 17 -13.671 -33.897 17.635 1.00 0.00 C ATOM 249 O LYS A 17 -13.967 -34.537 18.644 1.00 0.00 O ATOM 250 CB LYS A 17 -11.970 -32.251 18.444 1.00 0.00 C ATOM 251 CG LYS A 17 -12.972 -31.111 18.392 1.00 0.00 C ATOM 252 CD LYS A 17 -12.583 -29.984 19.335 1.00 0.00 C ATOM 253 CE LYS A 17 -12.938 -30.316 20.776 1.00 0.00 C ATOM 254 NZ LYS A 17 -14.361 -30.001 21.083 1.00 0.00 N ATOM 0 H LYS A 17 -12.008 -31.856 15.998 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.553 -34.181 17.593 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.967 -32.675 19.448 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.971 -31.854 18.262 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.037 -30.728 17.373 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.962 -31.483 18.657 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.512 -29.796 19.257 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.090 -29.067 19.036 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.752 -31.374 20.961 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.289 -29.755 21.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.564 -30.241 22.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.533 -28.987 20.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.982 -30.555 20.459 1.00 0.00 H new ATOM 268 N LYS A 18 -14.542 -33.629 16.667 1.00 0.00 N ATOM 269 CA LYS A 18 -15.926 -34.084 16.736 1.00 0.00 C ATOM 270 C LYS A 18 -16.015 -35.591 16.522 1.00 0.00 C ATOM 271 O LYS A 18 -16.547 -36.317 17.362 1.00 0.00 O ATOM 272 CB LYS A 18 -16.775 -33.358 15.690 1.00 0.00 C ATOM 273 CG LYS A 18 -18.226 -33.179 16.102 1.00 0.00 C ATOM 274 CD LYS A 18 -18.775 -31.838 15.644 1.00 0.00 C ATOM 275 CE LYS A 18 -19.438 -31.944 14.280 1.00 0.00 C ATOM 276 NZ LYS A 18 -20.528 -30.942 14.113 1.00 0.00 N ATOM 0 H LYS A 18 -14.314 -33.099 15.826 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.309 -33.853 17.730 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.338 -32.379 15.496 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.738 -33.915 14.754 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.827 -33.983 15.678 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.309 -33.256 17.186 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.497 -31.471 16.373 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.967 -31.108 15.601 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.690 -31.800 13.500 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -19.844 -32.947 14.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.116 -31.202 13.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.116 -30.923 14.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -20.114 -30.001 13.957 1.00 0.00 H new ATOM 290 N CYS A 19 -15.490 -36.055 15.393 1.00 0.00 N ATOM 291 CA CYS A 19 -15.510 -37.477 15.069 1.00 0.00 C ATOM 292 C CYS A 19 -14.094 -38.038 14.994 1.00 0.00 C ATOM 293 O CYS A 19 -13.861 -39.085 14.392 1.00 0.00 O ATOM 294 CB CYS A 19 -16.234 -37.709 13.741 1.00 0.00 C ATOM 295 SG CYS A 19 -15.656 -36.653 12.392 1.00 0.00 S ATOM 0 H CYS A 19 -15.046 -35.468 14.687 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.046 -37.997 15.863 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.111 -38.752 13.450 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.301 -37.542 13.887 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.443 -35.625 12.278 1.00 0.00 H new ATOM 300 N ASN A 20 -13.151 -37.332 15.609 1.00 0.00 N ATOM 301 CA ASN A 20 -11.756 -37.758 15.611 1.00 0.00 C ATOM 302 C ASN A 20 -11.291 -38.105 14.199 1.00 0.00 C ATOM 303 O ASN A 20 -10.462 -38.995 14.007 1.00 0.00 O ATOM 304 CB ASN A 20 -11.571 -38.966 16.532 1.00 0.00 C ATOM 305 CG ASN A 20 -10.125 -39.158 16.949 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.381 -39.910 16.319 1.00 0.00 O ATOM 307 ND2 ASN A 20 -9.722 -38.478 18.016 1.00 0.00 N ATOM 0 H ASN A 20 -13.327 -36.463 16.112 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.150 -36.931 15.981 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.189 -38.840 17.421 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.922 -39.864 16.024 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.761 -38.567 18.345 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.374 -37.866 18.507 1.00 0.00 H new ATOM 314 N THR A 21 -11.831 -37.395 13.213 1.00 0.00 N ATOM 315 CA THR A 21 -11.474 -37.627 11.820 1.00 0.00 C ATOM 316 C THR A 21 -10.623 -36.486 11.273 1.00 0.00 C ATOM 317 O THR A 21 -11.024 -35.323 11.320 1.00 0.00 O ATOM 318 CB THR A 21 -12.726 -37.787 10.937 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.591 -38.785 11.491 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.342 -38.174 9.517 1.00 0.00 C ATOM 0 H THR A 21 -12.518 -36.654 13.354 1.00 0.00 H new ATOM 0 HA THR A 21 -10.899 -38.552 11.792 1.00 0.00 H new ATOM 0 HB THR A 21 -13.247 -36.830 10.907 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.383 -38.355 11.875 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.243 -38.281 8.913 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.707 -37.399 9.088 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.800 -39.120 9.531 1.00 0.00 H new ATOM 328 N ARG A 22 -9.448 -36.826 10.753 1.00 0.00 N ATOM 329 CA ARG A 22 -8.541 -35.829 10.198 1.00 0.00 C ATOM 330 C ARG A 22 -8.758 -35.675 8.695 1.00 0.00 C ATOM 331 O ARG A 22 -9.042 -36.648 7.996 1.00 0.00 O ATOM 332 CB ARG A 22 -7.089 -36.218 10.478 1.00 0.00 C ATOM 333 CG ARG A 22 -6.149 -35.028 10.583 1.00 0.00 C ATOM 334 CD ARG A 22 -4.785 -35.441 11.115 1.00 0.00 C ATOM 335 NE ARG A 22 -3.741 -35.309 10.103 1.00 0.00 N ATOM 336 CZ ARG A 22 -3.479 -36.239 9.191 1.00 0.00 C ATOM 337 NH1 ARG A 22 -4.184 -37.362 9.164 1.00 0.00 N ATOM 338 NH2 ARG A 22 -2.512 -36.045 8.303 1.00 0.00 N ATOM 0 H ARG A 22 -9.102 -37.784 10.705 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.752 -34.874 10.678 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.047 -36.787 11.407 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.739 -36.878 9.684 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.034 -34.566 9.602 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.585 -34.276 11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.532 -34.827 11.979 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.828 -36.474 11.459 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.182 -34.456 10.096 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.929 -37.513 9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.981 -38.075 8.463 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.969 -35.181 8.320 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.311 -36.759 7.603 1.00 0.00 H new ATOM 352 N SER A 23 -8.621 -34.447 8.206 1.00 0.00 N ATOM 353 CA SER A 23 -8.806 -34.165 6.787 1.00 0.00 C ATOM 354 C SER A 23 -8.095 -32.873 6.393 1.00 0.00 C ATOM 355 O SER A 23 -8.087 -31.901 7.148 1.00 0.00 O ATOM 356 CB SER A 23 -10.296 -34.062 6.455 1.00 0.00 C ATOM 357 OG SER A 23 -11.071 -34.854 7.339 1.00 0.00 O ATOM 0 H SER A 23 -8.383 -33.632 8.771 1.00 0.00 H new ATOM 0 HA SER A 23 -8.371 -34.987 6.219 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.615 -33.022 6.519 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.466 -34.385 5.428 1.00 0.00 H new ATOM 0 HG SER A 23 -11.460 -34.283 8.034 1.00 0.00 H new ATOM 363 N SER A 24 -7.499 -32.872 5.205 1.00 0.00 N ATOM 364 CA SER A 24 -6.782 -31.703 4.711 1.00 0.00 C ATOM 365 C SER A 24 -7.674 -30.861 3.804 1.00 0.00 C ATOM 366 O SER A 24 -8.517 -31.390 3.078 1.00 0.00 O ATOM 367 CB SER A 24 -5.524 -32.132 3.952 1.00 0.00 C ATOM 368 OG SER A 24 -4.657 -31.032 3.738 1.00 0.00 O ATOM 0 H SER A 24 -7.499 -33.668 4.567 1.00 0.00 H new ATOM 0 HA SER A 24 -6.491 -31.097 5.569 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.002 -32.906 4.515 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.805 -32.569 2.994 1.00 0.00 H new ATOM 0 HG SER A 24 -3.860 -31.333 3.253 1.00 0.00 H new ATOM 374 N HIS A 25 -7.483 -29.546 3.850 1.00 0.00 N ATOM 375 CA HIS A 25 -8.270 -28.630 3.033 1.00 0.00 C ATOM 376 C HIS A 25 -7.416 -27.460 2.554 1.00 0.00 C ATOM 377 O HIS A 25 -6.695 -26.841 3.338 1.00 0.00 O ATOM 378 CB HIS A 25 -9.471 -28.110 3.823 1.00 0.00 C ATOM 379 CG HIS A 25 -10.075 -29.133 4.735 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.261 -29.780 4.460 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.649 -29.621 5.924 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.540 -30.620 5.440 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.577 -30.543 6.341 1.00 0.00 N ATOM 0 H HIS A 25 -6.790 -29.091 4.445 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.629 -29.177 2.161 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.162 -27.247 4.412 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.232 -27.763 3.125 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -11.834 -29.633 3.629 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.747 -29.338 6.447 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.408 -31.261 5.495 1.00 0.00 H new ATOM 391 N THR A 26 -7.501 -27.161 1.261 1.00 0.00 N ATOM 392 CA THR A 26 -6.736 -26.067 0.677 1.00 0.00 C ATOM 393 C THR A 26 -7.621 -24.853 0.419 1.00 0.00 C ATOM 394 O THR A 26 -8.618 -24.941 -0.296 1.00 0.00 O ATOM 395 CB THR A 26 -6.067 -26.491 -0.644 1.00 0.00 C ATOM 396 OG1 THR A 26 -5.668 -27.864 -0.572 1.00 0.00 O ATOM 397 CG2 THR A 26 -4.856 -25.620 -0.942 1.00 0.00 C ATOM 0 H THR A 26 -8.093 -27.662 0.598 1.00 0.00 H new ATOM 0 HA THR A 26 -5.963 -25.802 1.398 1.00 0.00 H new ATOM 0 HB THR A 26 -6.791 -26.365 -1.449 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.851 -28.303 -1.429 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.401 -25.939 -1.880 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.168 -24.579 -1.026 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.130 -25.717 -0.135 1.00 0.00 H new ATOM 405 N MET A 27 -7.248 -23.719 1.005 1.00 0.00 N ATOM 406 CA MET A 27 -8.009 -22.486 0.836 1.00 0.00 C ATOM 407 C MET A 27 -7.083 -21.316 0.522 1.00 0.00 C ATOM 408 O MET A 27 -5.887 -21.363 0.811 1.00 0.00 O ATOM 409 CB MET A 27 -8.821 -22.186 2.098 1.00 0.00 C ATOM 410 CG MET A 27 -7.963 -21.829 3.301 1.00 0.00 C ATOM 411 SD MET A 27 -7.375 -23.284 4.190 1.00 0.00 S ATOM 412 CE MET A 27 -8.925 -24.009 4.717 1.00 0.00 C ATOM 0 H MET A 27 -6.425 -23.629 1.600 1.00 0.00 H new ATOM 0 HA MET A 27 -8.692 -22.621 -0.003 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.505 -21.363 1.893 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.432 -23.055 2.342 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.108 -21.240 2.971 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.540 -21.201 3.980 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.762 -24.603 5.616 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.643 -23.217 4.931 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.315 -24.649 3.925 1.00 0.00 H new ATOM 422 N SER A 28 -7.643 -20.266 -0.071 1.00 0.00 N ATOM 423 CA SER A 28 -6.867 -19.085 -0.428 1.00 0.00 C ATOM 424 C SER A 28 -6.100 -18.553 0.780 1.00 0.00 C ATOM 425 O SER A 28 -6.686 -18.263 1.823 1.00 0.00 O ATOM 426 CB SER A 28 -7.784 -17.994 -0.984 1.00 0.00 C ATOM 427 OG SER A 28 -7.095 -17.170 -1.908 1.00 0.00 O ATOM 0 H SER A 28 -8.632 -20.210 -0.314 1.00 0.00 H new ATOM 0 HA SER A 28 -6.149 -19.372 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.645 -18.452 -1.472 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.168 -17.385 -0.165 1.00 0.00 H new ATOM 0 HG SER A 28 -7.704 -16.482 -2.250 1.00 0.00 H new ATOM 433 N LYS A 29 -4.786 -18.429 0.630 1.00 0.00 N ATOM 434 CA LYS A 29 -3.937 -17.931 1.706 1.00 0.00 C ATOM 435 C LYS A 29 -4.378 -16.540 2.148 1.00 0.00 C ATOM 436 O LYS A 29 -4.348 -16.218 3.335 1.00 0.00 O ATOM 437 CB LYS A 29 -2.475 -17.895 1.254 1.00 0.00 C ATOM 438 CG LYS A 29 -1.487 -18.210 2.364 1.00 0.00 C ATOM 439 CD LYS A 29 -0.987 -16.944 3.040 1.00 0.00 C ATOM 440 CE LYS A 29 0.087 -16.257 2.212 1.00 0.00 C ATOM 441 NZ LYS A 29 1.437 -16.831 2.466 1.00 0.00 N ATOM 0 H LYS A 29 -4.285 -18.667 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.032 -18.609 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.337 -18.609 0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.252 -16.907 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.962 -18.855 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.642 -18.763 1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.821 -16.260 3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.588 -17.189 4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.155 -16.352 1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.097 -15.192 2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.141 -16.335 1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.679 -16.717 3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.436 -17.842 2.222 1.00 0.00 H new ATOM 455 N GLN A 30 -4.787 -15.720 1.185 1.00 0.00 N ATOM 456 CA GLN A 30 -5.235 -14.363 1.477 1.00 0.00 C ATOM 457 C GLN A 30 -6.565 -14.378 2.223 1.00 0.00 C ATOM 458 O GLN A 30 -6.800 -13.556 3.108 1.00 0.00 O ATOM 459 CB GLN A 30 -5.371 -13.559 0.183 1.00 0.00 C ATOM 460 CG GLN A 30 -4.875 -12.127 0.302 1.00 0.00 C ATOM 461 CD GLN A 30 -5.972 -11.108 0.064 1.00 0.00 C ATOM 462 OE1 GLN A 30 -6.336 -10.826 -1.078 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.506 -10.549 1.143 1.00 0.00 N ATOM 0 H GLN A 30 -4.817 -15.971 0.197 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.488 -13.889 2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.815 -14.063 -0.608 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.418 -13.548 -0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.452 -11.974 1.295 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.071 -11.964 -0.416 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.174 -10.812 2.071 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.248 -9.856 1.044 1.00 0.00 H new ATOM 472 N ALA A 31 -7.432 -15.317 1.858 1.00 0.00 N ATOM 473 CA ALA A 31 -8.738 -15.439 2.494 1.00 0.00 C ATOM 474 C ALA A 31 -8.610 -15.994 3.909 1.00 0.00 C ATOM 475 O ALA A 31 -9.363 -15.613 4.806 1.00 0.00 O ATOM 476 CB ALA A 31 -9.651 -16.324 1.659 1.00 0.00 C ATOM 0 H ALA A 31 -7.254 -16.004 1.125 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.177 -14.443 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.623 -16.406 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.777 -15.885 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.208 -17.315 1.563 1.00 0.00 H new ATOM 482 N TYR A 32 -7.654 -16.895 4.101 1.00 0.00 N ATOM 483 CA TYR A 32 -7.430 -17.505 5.406 1.00 0.00 C ATOM 484 C TYR A 32 -6.657 -16.562 6.323 1.00 0.00 C ATOM 485 O TYR A 32 -7.025 -16.364 7.481 1.00 0.00 O ATOM 486 CB TYR A 32 -6.668 -18.823 5.253 1.00 0.00 C ATOM 487 CG TYR A 32 -6.254 -19.440 6.570 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.066 -19.072 7.190 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.052 -20.390 7.195 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.684 -19.634 8.393 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.679 -20.956 8.399 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.494 -20.575 8.993 1.00 0.00 C ATOM 493 OH TYR A 32 -5.118 -21.136 10.192 1.00 0.00 O ATOM 0 H TYR A 32 -7.021 -17.219 3.370 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.402 -17.705 5.856 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.292 -19.532 4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.779 -18.650 4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.430 -18.334 6.723 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.980 -20.691 6.732 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.757 -19.338 8.861 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.312 -21.692 8.872 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.799 -21.779 10.480 1.00 0.00 H new ATOM 503 N GLU A 33 -5.584 -15.981 5.795 1.00 0.00 N ATOM 504 CA GLU A 33 -4.759 -15.058 6.566 1.00 0.00 C ATOM 505 C GLU A 33 -5.482 -13.731 6.781 1.00 0.00 C ATOM 506 O GLU A 33 -5.262 -13.045 7.779 1.00 0.00 O ATOM 507 CB GLU A 33 -3.426 -14.815 5.855 1.00 0.00 C ATOM 508 CG GLU A 33 -2.466 -15.989 5.944 1.00 0.00 C ATOM 509 CD GLU A 33 -1.016 -15.553 6.019 1.00 0.00 C ATOM 510 OE1 GLU A 33 -0.696 -14.465 5.495 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.201 -16.298 6.602 1.00 0.00 O ATOM 0 H GLU A 33 -5.266 -16.133 4.838 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.567 -15.509 7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.619 -14.593 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.950 -13.934 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.708 -16.585 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.603 -16.632 5.075 1.00 0.00 H new ATOM 518 N LYS A 34 -6.347 -13.376 5.836 1.00 0.00 N ATOM 519 CA LYS A 34 -7.104 -12.133 5.921 1.00 0.00 C ATOM 520 C LYS A 34 -8.525 -12.325 5.400 1.00 0.00 C ATOM 521 O LYS A 34 -8.867 -11.857 4.314 1.00 0.00 O ATOM 522 CB LYS A 34 -6.403 -11.029 5.125 1.00 0.00 C ATOM 523 CG LYS A 34 -4.932 -10.871 5.471 1.00 0.00 C ATOM 524 CD LYS A 34 -4.746 -10.209 6.826 1.00 0.00 C ATOM 525 CE LYS A 34 -3.442 -10.636 7.481 1.00 0.00 C ATOM 526 NZ LYS A 34 -3.446 -10.376 8.947 1.00 0.00 N ATOM 0 H LYS A 34 -6.541 -13.932 5.003 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.156 -11.840 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.496 -11.245 4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.914 -10.083 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.451 -11.849 5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.439 -10.275 4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.757 -9.126 6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.582 -10.467 7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.276 -11.698 7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.612 -10.101 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.540 -10.681 9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.579 -9.359 9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.222 -10.906 9.392 1.00 0.00 H new ATOM 540 N GLY A 35 -9.349 -13.015 6.182 1.00 0.00 N ATOM 541 CA GLY A 35 -10.724 -13.255 5.783 1.00 0.00 C ATOM 542 C GLY A 35 -11.315 -14.481 6.450 1.00 0.00 C ATOM 543 O GLY A 35 -10.645 -15.157 7.231 1.00 0.00 O ATOM 0 H GLY A 35 -9.089 -13.412 7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.329 -12.383 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.769 -13.376 4.701 1.00 0.00 H new ATOM 547 N THR A 36 -12.576 -14.769 6.144 1.00 0.00 N ATOM 548 CA THR A 36 -13.260 -15.919 6.721 1.00 0.00 C ATOM 549 C THR A 36 -13.049 -17.167 5.871 1.00 0.00 C ATOM 550 O THR A 36 -13.103 -17.110 4.642 1.00 0.00 O ATOM 551 CB THR A 36 -14.771 -15.660 6.867 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.006 -14.276 7.146 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.362 -16.515 7.978 1.00 0.00 C ATOM 0 H THR A 36 -13.145 -14.221 5.499 1.00 0.00 H new ATOM 0 HA THR A 36 -12.830 -16.079 7.710 1.00 0.00 H new ATOM 0 HB THR A 36 -15.256 -15.928 5.928 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.318 -14.177 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.430 -16.315 8.062 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.208 -17.569 7.747 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.872 -16.275 8.922 1.00 0.00 H new ATOM 561 N VAL A 37 -12.810 -18.295 6.532 1.00 0.00 N ATOM 562 CA VAL A 37 -12.593 -19.558 5.837 1.00 0.00 C ATOM 563 C VAL A 37 -13.383 -20.687 6.490 1.00 0.00 C ATOM 564 O VAL A 37 -13.282 -20.913 7.696 1.00 0.00 O ATOM 565 CB VAL A 37 -11.101 -19.937 5.814 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.347 -19.076 4.811 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.496 -19.804 7.203 1.00 0.00 C ATOM 0 H VAL A 37 -12.762 -18.360 7.549 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.941 -19.420 4.813 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.013 -20.978 5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.294 -19.358 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.765 -19.226 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.441 -18.026 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.441 -20.076 7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.594 -18.774 7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.019 -20.467 7.893 1.00 0.00 H new ATOM 577 N LEU A 38 -14.168 -21.394 5.685 1.00 0.00 N ATOM 578 CA LEU A 38 -14.976 -22.502 6.184 1.00 0.00 C ATOM 579 C LEU A 38 -14.618 -23.801 5.470 1.00 0.00 C ATOM 580 O LEU A 38 -14.541 -23.845 4.242 1.00 0.00 O ATOM 581 CB LEU A 38 -16.464 -22.198 5.999 1.00 0.00 C ATOM 582 CG LEU A 38 -17.106 -21.313 7.068 1.00 0.00 C ATOM 583 CD1 LEU A 38 -17.185 -19.871 6.589 1.00 0.00 C ATOM 584 CD2 LEU A 38 -18.489 -21.833 7.431 1.00 0.00 C ATOM 0 H LEU A 38 -14.263 -21.220 4.684 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.766 -22.623 7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.599 -21.718 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.006 -23.143 5.965 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.482 -21.344 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.645 -19.255 7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.181 -19.502 6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.786 -19.822 5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.931 -21.191 8.193 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.122 -21.832 6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.406 -22.849 7.816 1.00 0.00 H new ATOM 596 N ILE A 39 -14.402 -24.857 6.247 1.00 0.00 N ATOM 597 CA ILE A 39 -14.056 -26.158 5.688 1.00 0.00 C ATOM 598 C ILE A 39 -14.978 -27.249 6.222 1.00 0.00 C ATOM 599 O ILE A 39 -15.302 -27.276 7.409 1.00 0.00 O ATOM 600 CB ILE A 39 -12.596 -26.536 6.003 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.313 -26.362 7.497 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.640 -25.691 5.175 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.278 -27.327 8.032 1.00 0.00 C ATOM 0 H ILE A 39 -14.460 -24.837 7.265 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.178 -26.079 4.608 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.442 -27.583 5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.975 -25.342 7.678 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.242 -26.493 8.052 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.612 -25.970 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.830 -25.860 4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.792 -24.637 5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.128 -27.146 9.096 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.623 -28.350 7.883 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.336 -27.181 7.503 1.00 0.00 H new ATOM 615 N SER A 40 -15.396 -28.149 5.338 1.00 0.00 N ATOM 616 CA SER A 40 -16.283 -29.242 5.719 1.00 0.00 C ATOM 617 C SER A 40 -15.495 -30.530 5.935 1.00 0.00 C ATOM 618 O SER A 40 -14.621 -30.878 5.139 1.00 0.00 O ATOM 619 CB SER A 40 -17.352 -29.458 4.646 1.00 0.00 C ATOM 620 OG SER A 40 -16.959 -30.466 3.731 1.00 0.00 O ATOM 0 H SER A 40 -15.134 -28.143 4.352 1.00 0.00 H new ATOM 0 HA SER A 40 -16.770 -28.972 6.656 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.294 -29.738 5.118 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.528 -28.525 4.111 1.00 0.00 H new ATOM 0 HG SER A 40 -17.659 -30.586 3.056 1.00 0.00 H new ATOM 626 N CYS A 41 -15.810 -31.235 7.016 1.00 0.00 N ATOM 627 CA CYS A 41 -15.132 -32.485 7.339 1.00 0.00 C ATOM 628 C CYS A 41 -15.797 -33.662 6.633 1.00 0.00 C ATOM 629 O CYS A 41 -16.988 -33.927 6.802 1.00 0.00 O ATOM 630 CB CYS A 41 -15.133 -32.714 8.851 1.00 0.00 C ATOM 631 SG CYS A 41 -14.522 -34.341 9.351 1.00 0.00 S ATOM 0 H CYS A 41 -16.531 -30.962 7.684 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.102 -32.412 6.991 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.521 -31.946 9.324 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.149 -32.588 9.226 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.408 -34.383 10.645 1.00 0.00 H new ATOM 636 N PRO A 42 -15.012 -34.386 5.822 1.00 0.00 N ATOM 637 CA PRO A 42 -15.504 -35.546 5.073 1.00 0.00 C ATOM 638 C PRO A 42 -15.823 -36.729 5.980 1.00 0.00 C ATOM 639 O PRO A 42 -15.158 -37.764 5.926 1.00 0.00 O ATOM 640 CB PRO A 42 -14.339 -35.887 4.140 1.00 0.00 C ATOM 641 CG PRO A 42 -13.131 -35.357 4.834 1.00 0.00 C ATOM 642 CD PRO A 42 -13.584 -34.128 5.573 1.00 0.00 C ATOM 0 HA PRO A 42 -16.436 -35.328 4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.263 -36.962 3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.468 -35.426 3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.720 -36.096 5.521 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.345 -35.115 4.119 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.032 -33.992 6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.436 -33.225 4.980 1.00 0.00 H new ATOM 650 N HIS A 43 -16.846 -36.570 6.815 1.00 0.00 N ATOM 651 CA HIS A 43 -17.254 -37.627 7.734 1.00 0.00 C ATOM 652 C HIS A 43 -18.527 -37.237 8.478 1.00 0.00 C ATOM 653 O HIS A 43 -19.588 -37.825 8.263 1.00 0.00 O ATOM 654 CB HIS A 43 -16.135 -37.922 8.734 1.00 0.00 C ATOM 655 CG HIS A 43 -16.225 -39.285 9.348 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.958 -40.444 8.650 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.553 -39.671 10.603 1.00 0.00 C ATOM 658 CE1 HIS A 43 -16.120 -41.484 9.449 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.480 -41.042 10.640 1.00 0.00 N ATOM 0 H HIS A 43 -17.407 -35.720 6.874 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.456 -38.525 7.150 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -15.173 -37.822 8.231 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -16.160 -37.173 9.526 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -16.822 -39.022 11.423 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.982 -42.519 9.175 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.673 -41.624 11.455 1.00 0.00 H new ATOM 667 N CYS A 44 -18.415 -36.244 9.354 1.00 0.00 N ATOM 668 CA CYS A 44 -19.558 -35.778 10.131 1.00 0.00 C ATOM 669 C CYS A 44 -20.440 -34.853 9.299 1.00 0.00 C ATOM 670 O CYS A 44 -21.525 -34.461 9.728 1.00 0.00 O ATOM 671 CB CYS A 44 -19.082 -35.052 11.390 1.00 0.00 C ATOM 672 SG CYS A 44 -17.971 -33.663 11.066 1.00 0.00 S ATOM 0 H CYS A 44 -17.545 -35.747 9.544 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.148 -36.647 10.422 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.952 -34.688 11.937 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.574 -35.766 12.038 1.00 0.00 H new ATOM 0 HG CYS A 44 -16.877 -34.101 10.517 1.00 0.00 H new ATOM 677 N LYS A 45 -19.966 -34.506 8.107 1.00 0.00 N ATOM 678 CA LYS A 45 -20.711 -33.627 7.214 1.00 0.00 C ATOM 679 C LYS A 45 -21.094 -32.330 7.920 1.00 0.00 C ATOM 680 O LYS A 45 -22.211 -32.189 8.417 1.00 0.00 O ATOM 681 CB LYS A 45 -21.969 -34.332 6.702 1.00 0.00 C ATOM 682 CG LYS A 45 -21.690 -35.671 6.043 1.00 0.00 C ATOM 683 CD LYS A 45 -22.976 -36.369 5.632 1.00 0.00 C ATOM 684 CE LYS A 45 -23.416 -35.951 4.237 1.00 0.00 C ATOM 685 NZ LYS A 45 -24.621 -36.703 3.787 1.00 0.00 N ATOM 0 H LYS A 45 -19.069 -34.820 7.737 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.069 -33.383 6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.655 -34.483 7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.474 -33.683 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.060 -35.522 5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.133 -36.307 6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.830 -37.449 5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.763 -36.135 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.631 -34.882 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.600 -36.118 3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.889 -36.390 2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -24.409 -37.721 3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.407 -36.524 4.444 1.00 0.00 H new ATOM 699 N VAL A 46 -20.159 -31.386 7.961 1.00 0.00 N ATOM 700 CA VAL A 46 -20.400 -30.100 8.605 1.00 0.00 C ATOM 701 C VAL A 46 -19.208 -29.166 8.429 1.00 0.00 C ATOM 702 O VAL A 46 -18.056 -29.601 8.452 1.00 0.00 O ATOM 703 CB VAL A 46 -20.687 -30.270 10.108 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.410 -30.613 10.861 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.327 -29.011 10.674 1.00 0.00 C ATOM 0 H VAL A 46 -19.228 -31.487 7.556 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.275 -29.663 8.123 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.388 -31.095 10.235 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.633 -30.729 11.922 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.998 -31.544 10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.683 -29.811 10.729 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.523 -29.149 11.737 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.652 -28.166 10.536 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.265 -28.815 10.155 1.00 0.00 H new ATOM 715 N ARG A 47 -19.492 -27.879 8.253 1.00 0.00 N ATOM 716 CA ARG A 47 -18.443 -26.883 8.072 1.00 0.00 C ATOM 717 C ARG A 47 -18.040 -26.269 9.410 1.00 0.00 C ATOM 718 O ARG A 47 -18.878 -26.063 10.288 1.00 0.00 O ATOM 719 CB ARG A 47 -18.913 -25.785 7.117 1.00 0.00 C ATOM 720 CG ARG A 47 -18.936 -26.215 5.659 1.00 0.00 C ATOM 721 CD ARG A 47 -20.104 -27.144 5.371 1.00 0.00 C ATOM 722 NE ARG A 47 -20.687 -26.899 4.054 1.00 0.00 N ATOM 723 CZ ARG A 47 -21.789 -27.496 3.615 1.00 0.00 C ATOM 724 NH1 ARG A 47 -22.425 -28.369 4.384 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.258 -27.220 2.405 1.00 0.00 N ATOM 0 H ARG A 47 -20.440 -27.502 8.232 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.573 -27.381 7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.913 -25.465 7.409 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.259 -24.920 7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.004 -25.335 5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.001 -26.717 5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.767 -28.179 5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.869 -27.012 6.136 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.222 -26.233 3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.068 -28.583 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.271 -28.826 4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.772 -26.549 1.811 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.105 -27.679 2.069 1.00 0.00 H new ATOM 739 N HIS A 48 -16.751 -25.980 9.558 1.00 0.00 N ATOM 740 CA HIS A 48 -16.236 -25.391 10.789 1.00 0.00 C ATOM 741 C HIS A 48 -15.365 -24.175 10.486 1.00 0.00 C ATOM 742 O HIS A 48 -14.730 -24.101 9.433 1.00 0.00 O ATOM 743 CB HIS A 48 -15.432 -26.425 11.578 1.00 0.00 C ATOM 744 CG HIS A 48 -15.351 -27.760 10.905 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.256 -28.775 11.136 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.467 -28.245 10.002 1.00 0.00 C ATOM 747 CE1 HIS A 48 -15.930 -29.827 10.405 1.00 0.00 C ATOM 748 NE2 HIS A 48 -14.848 -29.531 9.708 1.00 0.00 N ATOM 0 H HIS A 48 -16.044 -26.144 8.841 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.085 -25.067 11.391 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.423 -26.045 11.736 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.883 -26.550 12.562 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.052 -28.722 11.771 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.619 -27.718 9.589 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.459 -30.769 10.382 1.00 0.00 H new ATOM 756 N LEU A 49 -15.340 -23.225 11.414 1.00 0.00 N ATOM 757 CA LEU A 49 -14.547 -22.012 11.246 1.00 0.00 C ATOM 758 C LEU A 49 -13.100 -22.245 11.668 1.00 0.00 C ATOM 759 O LEU A 49 -12.836 -22.832 12.718 1.00 0.00 O ATOM 760 CB LEU A 49 -15.151 -20.868 12.061 1.00 0.00 C ATOM 761 CG LEU A 49 -14.781 -19.454 11.610 1.00 0.00 C ATOM 762 CD1 LEU A 49 -15.154 -19.246 10.150 1.00 0.00 C ATOM 763 CD2 LEU A 49 -15.464 -18.418 12.490 1.00 0.00 C ATOM 0 H LEU A 49 -15.860 -23.271 12.291 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.559 -21.743 10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.236 -20.964 12.035 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -14.845 -20.988 13.100 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.703 -19.331 11.710 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.884 -18.235 9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.618 -19.966 9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -16.227 -19.388 10.025 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.189 -17.418 12.155 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.545 -18.539 12.423 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.148 -18.554 13.524 1.00 0.00 H new ATOM 775 N ILE A 50 -12.166 -21.779 10.846 1.00 0.00 N ATOM 776 CA ILE A 50 -10.746 -21.933 11.136 1.00 0.00 C ATOM 777 C ILE A 50 -10.087 -20.582 11.392 1.00 0.00 C ATOM 778 O ILE A 50 -9.297 -20.432 12.323 1.00 0.00 O ATOM 779 CB ILE A 50 -10.009 -22.642 9.984 1.00 0.00 C ATOM 780 CG1 ILE A 50 -10.946 -22.827 8.789 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.464 -23.984 10.450 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.261 -23.400 7.568 1.00 0.00 C ATOM 0 H ILE A 50 -12.367 -21.291 9.973 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.673 -22.546 12.034 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.170 -22.021 9.671 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.765 -23.485 9.078 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.387 -21.864 8.530 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.946 -24.473 9.625 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.768 -23.828 11.274 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.287 -24.614 10.786 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.985 -23.504 6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.459 -22.732 7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.844 -24.378 7.810 1.00 0.00 H new ATOM 794 N ALA A 51 -10.420 -19.601 10.559 1.00 0.00 N ATOM 795 CA ALA A 51 -9.864 -18.261 10.697 1.00 0.00 C ATOM 796 C ALA A 51 -10.946 -17.198 10.540 1.00 0.00 C ATOM 797 O ALA A 51 -11.417 -16.937 9.433 1.00 0.00 O ATOM 798 CB ALA A 51 -8.755 -18.042 9.678 1.00 0.00 C ATOM 0 H ALA A 51 -11.072 -19.710 9.782 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.445 -18.170 11.699 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.349 -17.037 9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.963 -18.774 9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.157 -18.158 8.672 1.00 0.00 H new ATOM 804 N ASP A 52 -11.337 -16.590 11.654 1.00 0.00 N ATOM 805 CA ASP A 52 -12.364 -15.555 11.640 1.00 0.00 C ATOM 806 C ASP A 52 -11.738 -14.169 11.515 1.00 0.00 C ATOM 807 O ASP A 52 -11.093 -13.682 12.444 1.00 0.00 O ATOM 808 CB ASP A 52 -13.213 -15.632 12.910 1.00 0.00 C ATOM 809 CG ASP A 52 -12.389 -15.452 14.170 1.00 0.00 C ATOM 810 OD1 ASP A 52 -11.658 -16.394 14.540 1.00 0.00 O ATOM 811 OD2 ASP A 52 -12.475 -14.369 14.786 1.00 0.00 O ATOM 0 H ASP A 52 -10.958 -16.796 12.578 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.003 -15.724 10.774 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.987 -14.865 12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.721 -16.596 12.946 1.00 0.00 H new ATOM 816 N HIS A 53 -11.932 -13.540 10.361 1.00 0.00 N ATOM 817 CA HIS A 53 -11.386 -12.210 10.114 1.00 0.00 C ATOM 818 C HIS A 53 -12.502 -11.205 9.845 1.00 0.00 C ATOM 819 O HIS A 53 -12.361 -10.015 10.127 1.00 0.00 O ATOM 820 CB HIS A 53 -10.419 -12.244 8.930 1.00 0.00 C ATOM 821 CG HIS A 53 -8.986 -12.048 9.320 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.406 -10.804 9.454 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.016 -12.947 9.609 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.141 -10.947 9.805 1.00 0.00 C ATOM 825 NE2 HIS A 53 -6.879 -12.237 9.907 1.00 0.00 N ATOM 0 H HIS A 53 -12.463 -13.929 9.582 1.00 0.00 H new ATOM 0 HA HIS A 53 -10.845 -11.896 11.007 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.520 -13.200 8.417 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.702 -11.469 8.218 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.117 -14.022 9.606 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.439 -10.145 9.979 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.979 -12.641 10.165 1.00 0.00 H new ATOM 833 N LEU A 54 -13.610 -11.692 9.298 1.00 0.00 N ATOM 834 CA LEU A 54 -14.752 -10.837 8.990 1.00 0.00 C ATOM 835 C LEU A 54 -15.816 -10.938 10.078 1.00 0.00 C ATOM 836 O LEU A 54 -16.790 -10.185 10.080 1.00 0.00 O ATOM 837 CB LEU A 54 -15.351 -11.221 7.636 1.00 0.00 C ATOM 838 CG LEU A 54 -14.356 -11.414 6.492 1.00 0.00 C ATOM 839 CD1 LEU A 54 -15.048 -12.012 5.277 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.693 -10.093 6.133 1.00 0.00 C ATOM 0 H LEU A 54 -13.742 -12.675 9.058 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.402 -9.806 8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.915 -12.145 7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.064 -10.449 7.345 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.583 -12.108 6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.324 -12.142 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.475 -12.980 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.842 -11.344 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.988 -10.250 5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.454 -9.377 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.162 -9.705 7.002 1.00 0.00 H new ATOM 852 N LYS A 55 -15.623 -11.871 11.003 1.00 0.00 N ATOM 853 CA LYS A 55 -16.564 -12.069 12.099 1.00 0.00 C ATOM 854 C LYS A 55 -17.996 -12.149 11.579 1.00 0.00 C ATOM 855 O LYS A 55 -18.886 -11.459 12.077 1.00 0.00 O ATOM 856 CB LYS A 55 -16.442 -10.931 13.115 1.00 0.00 C ATOM 857 CG LYS A 55 -15.200 -11.023 13.985 1.00 0.00 C ATOM 858 CD LYS A 55 -15.041 -9.792 14.861 1.00 0.00 C ATOM 859 CE LYS A 55 -13.929 -9.975 15.883 1.00 0.00 C ATOM 860 NZ LYS A 55 -13.344 -8.672 16.305 1.00 0.00 N ATOM 0 H LYS A 55 -14.822 -12.503 11.016 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.320 -13.012 12.588 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.433 -9.980 12.583 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.324 -10.930 13.755 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.259 -11.912 14.613 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.319 -11.137 13.353 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.824 -8.925 14.237 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.980 -9.587 15.376 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.320 -10.497 16.756 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.146 -10.604 15.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.590 -8.839 17.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.948 -8.185 15.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.085 -8.081 16.732 1.00 0.00 H new ATOM 874 N ILE A 56 -18.211 -12.996 10.578 1.00 0.00 N ATOM 875 CA ILE A 56 -19.535 -13.167 9.994 1.00 0.00 C ATOM 876 C ILE A 56 -20.469 -13.897 10.953 1.00 0.00 C ATOM 877 O ILE A 56 -21.592 -13.457 11.199 1.00 0.00 O ATOM 878 CB ILE A 56 -19.468 -13.946 8.667 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.387 -13.357 7.758 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.821 -13.925 7.972 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.191 -14.131 6.473 1.00 0.00 C ATOM 0 H ILE A 56 -17.485 -13.574 10.155 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.926 -12.168 9.800 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.208 -14.982 8.884 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -18.649 -12.327 7.516 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.443 -13.327 8.302 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.758 -14.480 7.036 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.569 -14.386 8.617 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.107 -12.894 7.764 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.410 -13.657 5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.899 -15.155 6.706 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -19.123 -14.140 5.908 1.00 0.00 H new ATOM 893 N PHE A 57 -19.996 -15.016 11.493 1.00 0.00 N ATOM 894 CA PHE A 57 -20.789 -15.808 12.427 1.00 0.00 C ATOM 895 C PHE A 57 -20.762 -15.191 13.822 1.00 0.00 C ATOM 896 O PHE A 57 -21.596 -15.509 14.670 1.00 0.00 O ATOM 897 CB PHE A 57 -20.265 -17.244 12.482 1.00 0.00 C ATOM 898 CG PHE A 57 -20.147 -17.892 11.132 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.278 -18.173 10.383 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.905 -18.219 10.612 1.00 0.00 C ATOM 901 CE1 PHE A 57 -21.174 -18.769 9.140 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.794 -18.814 9.370 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.930 -19.090 8.633 1.00 0.00 C ATOM 0 H PHE A 57 -19.069 -15.394 11.300 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.820 -15.818 12.073 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.287 -17.247 12.964 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.930 -17.841 13.106 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.253 -17.923 10.775 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -18.014 -18.006 11.184 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -22.064 -18.983 8.567 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.820 -19.063 8.975 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.845 -19.556 7.662 1.00 0.00 H new ATOM 913 N HIS A 58 -19.798 -14.305 14.053 1.00 0.00 N ATOM 914 CA HIS A 58 -19.661 -13.643 15.345 1.00 0.00 C ATOM 915 C HIS A 58 -20.907 -12.825 15.671 1.00 0.00 C ATOM 916 O HIS A 58 -21.147 -12.475 16.826 1.00 0.00 O ATOM 917 CB HIS A 58 -18.428 -12.739 15.351 1.00 0.00 C ATOM 918 CG HIS A 58 -17.822 -12.561 16.710 1.00 0.00 C ATOM 919 ND1 HIS A 58 -18.051 -11.451 17.496 1.00 0.00 N ATOM 920 CD2 HIS A 58 -16.994 -13.360 17.422 1.00 0.00 C ATOM 921 CE1 HIS A 58 -17.388 -11.575 18.632 1.00 0.00 C ATOM 922 NE2 HIS A 58 -16.739 -12.725 18.612 1.00 0.00 N ATOM 0 H HIS A 58 -19.100 -14.029 13.362 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.542 -14.412 16.108 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.678 -13.157 14.680 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.702 -11.762 14.954 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -16.606 -14.319 17.112 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -17.378 -10.858 19.440 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -16.145 -13.083 19.360 1.00 0.00 H new ATOM 930 N ASP A 59 -21.695 -12.523 14.645 1.00 0.00 N ATOM 931 CA ASP A 59 -22.917 -11.747 14.822 1.00 0.00 C ATOM 932 C ASP A 59 -24.086 -12.651 15.200 1.00 0.00 C ATOM 933 O ASP A 59 -25.227 -12.199 15.299 1.00 0.00 O ATOM 934 CB ASP A 59 -23.246 -10.975 13.542 1.00 0.00 C ATOM 935 CG ASP A 59 -22.604 -9.602 13.513 1.00 0.00 C ATOM 936 OD1 ASP A 59 -23.108 -8.697 14.210 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.599 -9.432 12.792 1.00 0.00 O ATOM 0 H ASP A 59 -21.509 -12.804 13.682 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.753 -11.038 15.633 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -22.909 -11.549 12.678 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.327 -10.869 13.453 1.00 0.00 H new ATOM 942 N HIS A 60 -23.794 -13.930 15.410 1.00 0.00 N ATOM 943 CA HIS A 60 -24.821 -14.899 15.777 1.00 0.00 C ATOM 944 C HIS A 60 -26.163 -14.531 15.152 1.00 0.00 C ATOM 945 O HIS A 60 -27.199 -14.565 15.816 1.00 0.00 O ATOM 946 CB HIS A 60 -24.958 -14.976 17.298 1.00 0.00 C ATOM 947 CG HIS A 60 -25.706 -13.823 17.892 1.00 0.00 C ATOM 948 ND1 HIS A 60 -25.388 -12.509 17.974 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -26.939 -13.955 18.496 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -26.425 -11.879 18.617 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -27.347 -12.774 18.921 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.855 -14.320 15.332 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.518 -15.875 15.397 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.467 -15.903 17.562 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -23.964 -15.021 17.742 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -27.485 -14.880 18.604 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.478 -10.823 18.838 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -28.226 -12.585 19.403 1.00 0.00 H new ATOM 959 N HIS A 61 -26.136 -14.178 13.871 1.00 0.00 N ATOM 960 CA HIS A 61 -27.351 -13.803 13.155 1.00 0.00 C ATOM 961 C HIS A 61 -27.241 -14.158 11.676 1.00 0.00 C ATOM 962 O HIS A 61 -27.999 -13.652 10.848 1.00 0.00 O ATOM 963 CB HIS A 61 -27.621 -12.307 13.315 1.00 0.00 C ATOM 964 CG HIS A 61 -28.498 -11.977 14.483 1.00 0.00 C ATOM 965 ND1 HIS A 61 -28.203 -11.818 15.795 1.00 0.00 N flip ATOM 966 CD2 HIS A 61 -29.857 -11.774 14.371 1.00 0.00 C flip ATOM 967 CE1 HIS A 61 -29.376 -11.523 16.443 1.00 0.00 C flip ATOM 968 NE2 HIS A 61 -30.360 -11.502 15.562 1.00 0.00 N flip ATOM 0 H HIS A 61 -25.287 -14.144 13.307 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.183 -14.362 13.583 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.671 -11.785 13.426 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -28.087 -11.931 12.404 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -30.422 -11.829 13.453 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -29.478 -11.338 17.502 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -31.340 -11.309 15.766 1.00 0.00 H new ATOM 976 N VAL A 62 -26.292 -15.030 11.349 1.00 0.00 N ATOM 977 CA VAL A 62 -26.084 -15.452 9.970 1.00 0.00 C ATOM 978 C VAL A 62 -25.854 -16.957 9.884 1.00 0.00 C ATOM 979 O VAL A 62 -25.125 -17.532 10.693 1.00 0.00 O ATOM 980 CB VAL A 62 -24.884 -14.724 9.335 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.584 -15.167 9.988 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.847 -14.967 7.834 1.00 0.00 C ATOM 0 H VAL A 62 -25.655 -15.458 12.021 1.00 0.00 H new ATOM 0 HA VAL A 62 -26.989 -15.194 9.420 1.00 0.00 H new ATOM 0 HB VAL A 62 -25.000 -13.653 9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.748 -14.642 9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.614 -14.936 11.053 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.457 -16.241 9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -23.993 -14.445 7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.755 -16.036 7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.766 -14.594 7.382 1.00 0.00 H new ATOM 992 N THR A 63 -26.481 -17.591 8.898 1.00 0.00 N ATOM 993 CA THR A 63 -26.346 -19.029 8.706 1.00 0.00 C ATOM 994 C THR A 63 -25.383 -19.344 7.568 1.00 0.00 C ATOM 995 O THR A 63 -25.135 -18.505 6.701 1.00 0.00 O ATOM 996 CB THR A 63 -27.707 -19.686 8.409 1.00 0.00 C ATOM 997 OG1 THR A 63 -27.541 -21.098 8.234 1.00 0.00 O ATOM 998 CG2 THR A 63 -28.337 -19.086 7.162 1.00 0.00 C ATOM 0 H THR A 63 -27.088 -17.130 8.220 1.00 0.00 H new ATOM 0 HA THR A 63 -25.950 -19.436 9.636 1.00 0.00 H new ATOM 0 HB THR A 63 -28.368 -19.500 9.256 1.00 0.00 H new ATOM 0 HG1 THR A 63 -28.411 -21.509 8.047 1.00 0.00 H new ATOM 0 HG21 THR A 63 -29.297 -19.566 6.973 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.489 -18.017 7.309 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.677 -19.245 6.309 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.842 -20.558 7.574 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.907 -20.985 6.540 1.00 0.00 C ATOM 1008 C VAL A 64 -24.521 -20.844 5.152 1.00 0.00 C ATOM 1009 O VAL A 64 -23.827 -20.533 4.185 1.00 0.00 O ATOM 1010 CB VAL A 64 -23.468 -22.446 6.749 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -22.511 -22.879 5.648 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.830 -22.620 8.119 1.00 0.00 C ATOM 0 H VAL A 64 -25.035 -21.264 8.284 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.034 -20.337 6.616 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.351 -23.083 6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -22.212 -23.914 5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -23.007 -22.794 4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -21.628 -22.240 5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -22.526 -23.659 8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -21.956 -21.973 8.198 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -23.550 -22.353 8.892 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.828 -21.074 5.062 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.535 -20.973 3.791 1.00 0.00 C ATOM 1024 C GLU A 65 -26.546 -19.532 3.288 1.00 0.00 C ATOM 1025 O GLU A 65 -26.426 -19.282 2.089 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.970 -21.485 3.938 1.00 0.00 C ATOM 1027 CG GLU A 65 -28.060 -22.878 4.536 1.00 0.00 C ATOM 1028 CD GLU A 65 -29.475 -23.252 4.934 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -30.355 -23.266 4.048 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -29.702 -23.528 6.130 1.00 0.00 O ATOM 0 H GLU A 65 -26.418 -21.331 5.854 1.00 0.00 H new ATOM 0 HA GLU A 65 -26.010 -21.590 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.532 -20.792 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.448 -21.488 2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -27.686 -23.604 3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -27.413 -22.936 5.411 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.693 -18.590 4.214 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.721 -17.174 3.864 1.00 0.00 C ATOM 1039 C GLN A 66 -25.395 -16.738 3.251 1.00 0.00 C ATOM 1040 O GLN A 66 -25.367 -15.981 2.280 1.00 0.00 O ATOM 1041 CB GLN A 66 -27.027 -16.328 5.101 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.513 -16.112 5.338 1.00 0.00 C ATOM 1043 CD GLN A 66 -28.789 -15.084 6.418 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -29.048 -15.431 7.570 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.735 -13.809 6.049 1.00 0.00 N ATOM 0 H GLN A 66 -26.794 -18.781 5.211 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.508 -17.024 3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.594 -16.811 5.977 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.539 -15.359 4.998 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.982 -15.791 4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.974 -17.059 5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -28.516 -13.567 5.083 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -28.912 -13.072 6.732 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.297 -17.220 3.824 1.00 0.00 N ATOM 1055 CA LEU A 67 -22.966 -16.880 3.334 1.00 0.00 C ATOM 1056 C LEU A 67 -22.814 -17.256 1.863 1.00 0.00 C ATOM 1057 O LEU A 67 -22.273 -16.489 1.069 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.897 -17.590 4.167 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.260 -16.765 5.285 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -21.985 -17.000 6.601 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -19.782 -17.101 5.421 1.00 0.00 C ATOM 0 H LEU A 67 -24.303 -17.847 4.628 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.835 -15.802 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.342 -18.481 4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.107 -17.927 3.496 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.350 -15.710 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.518 -16.405 7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.030 -16.708 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.928 -18.056 6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.345 -16.504 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.670 -18.160 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.271 -16.880 4.484 1.00 0.00 H new ATOM 1073 N MET A 68 -23.298 -18.442 1.509 1.00 0.00 N ATOM 1074 CA MET A 68 -23.220 -18.919 0.133 1.00 0.00 C ATOM 1075 C MET A 68 -24.208 -18.174 -0.758 1.00 0.00 C ATOM 1076 O MET A 68 -23.929 -17.910 -1.928 1.00 0.00 O ATOM 1077 CB MET A 68 -23.496 -20.422 0.075 1.00 0.00 C ATOM 1078 CG MET A 68 -22.541 -21.249 0.921 1.00 0.00 C ATOM 1079 SD MET A 68 -22.589 -23.003 0.509 1.00 0.00 S ATOM 1080 CE MET A 68 -22.219 -23.735 2.101 1.00 0.00 C ATOM 0 H MET A 68 -23.748 -19.090 2.155 1.00 0.00 H new ATOM 0 HA MET A 68 -22.212 -18.728 -0.234 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.517 -20.609 0.407 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.432 -20.755 -0.961 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.526 -20.876 0.786 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.790 -21.120 1.974 1.00 0.00 H new ATOM 0 HE1 MET A 68 -21.457 -24.505 1.979 1.00 0.00 H new ATOM 0 HE2 MET A 68 -21.851 -22.965 2.779 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.123 -24.181 2.515 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.586 -26.460 0.668 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.629 -25.470 1.149 1.00 0.00 C ATOM 1256 C ASP A 81 -15.894 -24.106 0.519 1.00 0.00 C ATOM 1257 O ASP A 81 -16.195 -24.009 -0.672 1.00 0.00 O ATOM 1258 CB ASP A 81 -14.200 -25.919 0.840 1.00 0.00 C ATOM 1259 CG ASP A 81 -13.813 -27.178 1.591 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -14.690 -27.759 2.264 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.634 -27.582 1.506 1.00 0.00 O ATOM 0 HA ASP A 81 -15.748 -25.381 2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -14.101 -26.094 -0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.507 -25.118 1.098 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.782 -23.056 1.325 1.00 0.00 N ATOM 1267 CA LEU A 82 -16.011 -21.697 0.847 1.00 0.00 C ATOM 1268 C LEU A 82 -15.198 -20.692 1.656 1.00 0.00 C ATOM 1269 O LEU A 82 -15.138 -20.771 2.882 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.499 -21.351 0.928 1.00 0.00 C ATOM 1271 CG LEU A 82 -18.061 -21.130 2.333 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -19.438 -20.489 2.262 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -18.121 -22.445 3.096 1.00 0.00 C ATOM 0 H LEU A 82 -15.534 -23.120 2.312 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.689 -21.644 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.674 -20.449 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -18.064 -22.153 0.454 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.395 -20.453 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -19.822 -20.339 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -19.366 -19.527 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -20.115 -21.141 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -18.523 -22.269 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -18.765 -23.145 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -17.118 -22.864 3.178 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.576 -19.745 0.960 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.768 -18.723 1.615 1.00 0.00 C ATOM 1287 C GLU A 83 -14.245 -17.325 1.233 1.00 0.00 C ATOM 1288 O GLU A 83 -14.758 -17.110 0.134 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.294 -18.890 1.242 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.008 -18.657 -0.232 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.438 -19.823 -1.101 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -12.116 -20.977 -0.747 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -13.095 -19.583 -2.135 1.00 0.00 O ATOM 0 H GLU A 83 -14.616 -19.665 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.879 -18.844 2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.698 -18.195 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.972 -19.896 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.524 -17.755 -0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.941 -18.482 -0.368 1.00 0.00 H new ATOM 1300 N PHE A 84 -14.072 -16.376 2.147 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.486 -14.999 1.908 1.00 0.00 C ATOM 1302 C PHE A 84 -13.353 -14.027 2.224 1.00 0.00 C ATOM 1303 O PHE A 84 -12.694 -14.142 3.258 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.715 -14.659 2.754 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.881 -15.574 2.512 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -16.917 -16.837 3.079 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -17.942 -15.170 1.717 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -17.989 -17.682 2.858 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -19.016 -16.010 1.493 1.00 0.00 C ATOM 1310 CZ PHE A 84 -19.039 -17.268 2.063 1.00 0.00 C ATOM 0 H PHE A 84 -13.648 -16.536 3.061 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.741 -14.901 0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.443 -14.701 3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -16.018 -13.633 2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -16.098 -17.166 3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -17.929 -14.188 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -18.005 -18.664 3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -19.837 -15.683 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.877 -17.926 1.887 1.00 0.00 H new ATOM 1320 N GLU A 85 -13.132 -13.072 1.326 1.00 0.00 N ATOM 1321 CA GLU A 85 -12.077 -12.082 1.509 1.00 0.00 C ATOM 1322 C GLU A 85 -12.660 -10.740 1.942 1.00 0.00 C ATOM 1323 O GLU A 85 -11.977 -9.927 2.565 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.278 -11.911 0.215 1.00 0.00 C ATOM 1325 CG GLU A 85 -10.917 -13.225 -0.456 1.00 0.00 C ATOM 1326 CD GLU A 85 -11.951 -13.664 -1.474 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -12.500 -12.789 -2.176 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -12.211 -14.882 -1.569 1.00 0.00 O ATOM 0 H GLU A 85 -13.669 -12.963 0.466 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.410 -12.439 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.856 -11.304 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.363 -11.361 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.949 -13.124 -0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.809 -13.999 0.304 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.925 -10.516 1.607 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.601 -9.273 1.960 1.00 0.00 C ATOM 1337 C ASP A 86 -16.115 -9.427 1.848 1.00 0.00 C ATOM 1338 O ASP A 86 -16.678 -9.340 0.757 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.124 -8.133 1.059 1.00 0.00 C ATOM 1340 CG ASP A 86 -14.569 -6.774 1.560 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -14.293 -6.456 2.736 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -15.194 -6.028 0.777 1.00 0.00 O ATOM 0 H ASP A 86 -14.504 -11.179 1.091 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.353 -9.035 2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.036 -8.155 0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.506 -8.288 0.050 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.767 -9.656 2.983 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.215 -9.822 3.012 1.00 0.00 C ATOM 1349 C ILE A 87 -18.914 -8.668 2.302 1.00 0.00 C ATOM 1350 O ILE A 87 -18.388 -7.560 2.198 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.742 -9.917 4.456 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -18.158 -8.791 5.310 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.404 -11.274 5.055 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.740 -8.726 6.705 1.00 0.00 C ATOM 0 H ILE A 87 -16.315 -9.731 3.895 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.437 -10.754 2.492 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.827 -9.809 4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.078 -8.923 5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.330 -7.839 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.783 -11.326 6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.864 -12.061 4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.322 -11.409 5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -18.280 -7.904 7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.816 -8.563 6.643 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.544 -9.664 7.225 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.131 -8.931 1.802 1.00 0.00 N ATOM 1367 CA PRO A 88 -20.931 -7.926 1.095 1.00 0.00 C ATOM 1368 C PRO A 88 -21.442 -6.832 2.027 1.00 0.00 C ATOM 1369 O PRO A 88 -21.037 -6.751 3.186 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.100 -8.737 0.530 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.218 -9.913 1.436 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.820 -10.229 1.889 1.00 0.00 C ATOM 0 HA PRO A 88 -20.350 -7.403 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.019 -8.152 0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.907 -9.046 -0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.862 -9.688 2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.661 -10.763 0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.806 -10.624 2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.350 -10.977 1.250 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.334 -5.993 1.512 1.00 0.00 N ATOM 1381 CA ASP A 89 -22.902 -4.904 2.299 1.00 0.00 C ATOM 1382 C ASP A 89 -24.353 -5.200 2.667 1.00 0.00 C ATOM 1383 O ASP A 89 -24.882 -4.652 3.634 1.00 0.00 O ATOM 1384 CB ASP A 89 -22.817 -3.589 1.524 1.00 0.00 C ATOM 1385 CG ASP A 89 -23.868 -3.489 0.436 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -23.755 -4.223 -0.568 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -24.804 -2.677 0.588 1.00 0.00 O ATOM 0 H ASP A 89 -22.679 -6.046 0.554 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.324 -4.812 3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -22.934 -2.755 2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -21.827 -3.497 1.078 1.00 0.00 H new ATOM 1392 N SER A 90 -24.991 -6.068 1.888 1.00 0.00 N ATOM 1393 CA SER A 90 -26.382 -6.432 2.129 1.00 0.00 C ATOM 1394 C SER A 90 -26.508 -7.301 3.377 1.00 0.00 C ATOM 1395 O SER A 90 -27.533 -7.283 4.060 1.00 0.00 O ATOM 1396 CB SER A 90 -26.955 -7.172 0.919 1.00 0.00 C ATOM 1397 OG SER A 90 -27.241 -6.274 -0.139 1.00 0.00 O ATOM 0 H SER A 90 -24.567 -6.532 1.085 1.00 0.00 H new ATOM 0 HA SER A 90 -26.949 -5.515 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 90 -26.244 -7.925 0.579 1.00 0.00 H new ATOM 0 HB3 SER A 90 -27.864 -7.700 1.208 1.00 0.00 H new ATOM 0 HG SER A 90 -27.604 -6.772 -0.901 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.458 -8.061 3.669 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.449 -8.938 4.835 1.00 0.00 C ATOM 1405 C LEU A 91 -25.239 -8.138 6.116 1.00 0.00 C ATOM 1406 O LEU A 91 -26.079 -8.153 7.016 1.00 0.00 O ATOM 1407 CB LEU A 91 -24.352 -9.995 4.694 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.621 -11.111 3.684 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -23.402 -12.009 3.543 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.839 -11.924 4.099 1.00 0.00 C ATOM 0 H LEU A 91 -24.602 -8.088 3.115 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.418 -9.434 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.426 -9.493 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -24.185 -10.449 5.671 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.825 -10.656 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.612 -12.797 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.553 -11.418 3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -23.166 -12.456 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -26.015 -12.714 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.663 -12.368 5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.712 -11.273 4.147 1.00 0.00 H new