USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=23 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= -0.937 F(o=-1.6,f=-0.93) USER MOD Set 1.2: A 61 HIS :FLIP no HE2:sc= 0.00826 X(o=-1,f=-0.93) USER MOD Set 2.1: A 16 CYS SG : rot 162:sc= -0.522 USER MOD Set 2.2: A 19 CYS SG : rot -57:sc= 0.527 USER MOD Set 2.3: A 21 THR OG1 : rot 109:sc= 1.23 USER MOD Set 2.4: A 23 SER OG : rot 94:sc= -0.603 USER MOD Set 2.5: A 25 HIS : no HE2:sc= -0.656 X(o=-2.7,f=-2.6) USER MOD Set 2.6: A 41 CYS SG : rot -50:sc= 0.0206 USER MOD Set 2.7: A 43 HIS : no HD1:sc= 0 X(o=-2.7,f=-2.6) USER MOD Set 2.8: A 44 CYS SG : rot -69:sc= -2.73! USER MOD Set 3.1: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 53 HIS : no HD1:sc= -1.02 X(o=-1,f=-1.2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -139:sc= -1.3 (180deg=-2.79!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.0061) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0279 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 27 MET CE :methyl -158:sc= -1.67 (180deg=-2.45) USER MOD Single : A 28 SER OG : rot 171:sc= -2.26 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0838 K(o=-0.084,f=-1.9!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -130:sc= -1.09 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.099) USER MOD Single : A 48 HIS : no HE2:sc= -2.51 K(o=-2.5,f=-3.3) 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=-0.32) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 66 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.18) USER MOD Single : A 68 MET CE :methyl -171:sc= -0.313 (180deg=-0.371) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -3.149 -20.022 -3.091 1.00 0.00 N ATOM 118 CA LYS A 9 -3.887 -20.880 -2.172 1.00 0.00 C ATOM 119 C LYS A 9 -2.939 -21.797 -1.404 1.00 0.00 C ATOM 120 O LYS A 9 -1.805 -22.025 -1.825 1.00 0.00 O ATOM 121 CB LYS A 9 -4.915 -21.717 -2.936 1.00 0.00 C ATOM 122 CG LYS A 9 -4.365 -22.347 -4.204 1.00 0.00 C ATOM 123 CD LYS A 9 -5.034 -23.679 -4.500 1.00 0.00 C ATOM 124 CE LYS A 9 -6.385 -23.487 -5.171 1.00 0.00 C ATOM 125 NZ LYS A 9 -7.281 -24.657 -4.959 1.00 0.00 N ATOM 0 HA LYS A 9 -4.407 -20.242 -1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.288 -22.505 -2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.766 -21.086 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.516 -21.668 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.290 -22.494 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.388 -24.276 -5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.163 -24.237 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.861 -22.589 -4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.240 -23.329 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.192 -24.487 -5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.838 -25.510 -5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.440 -24.792 -3.940 1.00 0.00 H new ATOM 139 N MET A 10 -3.412 -22.321 -0.279 1.00 0.00 N ATOM 140 CA MET A 10 -2.607 -23.215 0.545 1.00 0.00 C ATOM 141 C MET A 10 -3.465 -24.331 1.135 1.00 0.00 C ATOM 142 O MET A 10 -4.652 -24.141 1.396 1.00 0.00 O ATOM 143 CB MET A 10 -1.926 -22.432 1.669 1.00 0.00 C ATOM 144 CG MET A 10 -2.856 -21.473 2.393 1.00 0.00 C ATOM 145 SD MET A 10 -2.129 -20.805 3.902 1.00 0.00 S ATOM 146 CE MET A 10 -2.900 -21.847 5.138 1.00 0.00 C ATOM 0 H MET A 10 -4.349 -22.142 0.083 1.00 0.00 H new ATOM 0 HA MET A 10 -1.843 -23.664 -0.090 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.510 -23.136 2.390 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.090 -21.870 1.254 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.116 -20.652 1.725 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.784 -21.989 2.639 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.184 -21.241 5.999 1.00 0.00 H new ATOM 0 HE2 MET A 10 -3.788 -22.316 4.715 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.197 -22.618 5.453 1.00 0.00 H new ATOM 156 N MET A 11 -2.855 -25.494 1.340 1.00 0.00 N ATOM 157 CA MET A 11 -3.564 -26.639 1.899 1.00 0.00 C ATOM 158 C MET A 11 -3.285 -26.774 3.393 1.00 0.00 C ATOM 159 O MET A 11 -2.144 -26.642 3.835 1.00 0.00 O ATOM 160 CB MET A 11 -3.154 -27.923 1.174 1.00 0.00 C ATOM 161 CG MET A 11 -4.214 -29.011 1.221 1.00 0.00 C ATOM 162 SD MET A 11 -3.541 -30.651 0.890 1.00 0.00 S ATOM 163 CE MET A 11 -3.324 -30.575 -0.886 1.00 0.00 C ATOM 0 H MET A 11 -1.873 -25.668 1.128 1.00 0.00 H new ATOM 0 HA MET A 11 -4.633 -26.477 1.760 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.932 -27.688 0.133 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.234 -28.304 1.618 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.688 -29.008 2.202 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.991 -28.787 0.490 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.913 -31.519 -1.243 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.287 -30.395 -1.363 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.639 -29.764 -1.134 1.00 0.00 H new ATOM 173 N ILE A 12 -4.335 -27.038 4.165 1.00 0.00 N ATOM 174 CA ILE A 12 -4.202 -27.191 5.608 1.00 0.00 C ATOM 175 C ILE A 12 -5.127 -28.284 6.132 1.00 0.00 C ATOM 176 O ILE A 12 -6.340 -28.232 5.932 1.00 0.00 O ATOM 177 CB ILE A 12 -4.511 -25.875 6.345 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.818 -25.270 5.828 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.363 -24.891 6.176 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.732 -24.777 6.928 1.00 0.00 C ATOM 0 H ILE A 12 -5.286 -27.150 3.815 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.166 -27.471 5.802 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.627 -26.090 7.407 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.586 -24.440 5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.346 -26.018 5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.596 -23.966 6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.450 -25.322 6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.218 -24.679 5.117 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.639 -24.361 6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.994 -25.608 7.583 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.223 -24.006 7.506 1.00 0.00 H new ATOM 192 N ALA A 13 -4.546 -29.271 6.805 1.00 0.00 N ATOM 193 CA ALA A 13 -5.319 -30.374 7.362 1.00 0.00 C ATOM 194 C ALA A 13 -5.570 -30.172 8.853 1.00 0.00 C ATOM 195 O ALA A 13 -4.658 -29.826 9.604 1.00 0.00 O ATOM 196 CB ALA A 13 -4.604 -31.695 7.120 1.00 0.00 C ATOM 0 H ALA A 13 -3.542 -29.330 6.978 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.285 -30.398 6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.193 -32.510 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.482 -31.852 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.624 -31.671 7.597 1.00 0.00 H new ATOM 202 N PHE A 14 -6.811 -30.389 9.274 1.00 0.00 N ATOM 203 CA PHE A 14 -7.182 -30.228 10.675 1.00 0.00 C ATOM 204 C PHE A 14 -7.926 -31.459 11.186 1.00 0.00 C ATOM 205 O PHE A 14 -8.785 -32.010 10.497 1.00 0.00 O ATOM 206 CB PHE A 14 -8.052 -28.982 10.855 1.00 0.00 C ATOM 207 CG PHE A 14 -9.518 -29.287 10.977 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.311 -29.406 9.848 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.102 -29.455 12.222 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.660 -29.685 9.958 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.451 -29.735 12.339 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.230 -29.851 11.205 1.00 0.00 C ATOM 0 H PHE A 14 -7.577 -30.677 8.665 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.267 -30.111 11.255 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.725 -28.446 11.746 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.897 -28.315 10.007 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.870 -29.279 8.870 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.496 -29.366 13.112 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.268 -29.773 9.070 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.894 -29.863 13.315 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.284 -30.071 11.293 1.00 0.00 H new ATOM 222 N THR A 15 -7.588 -31.886 12.399 1.00 0.00 N ATOM 223 CA THR A 15 -8.221 -33.052 13.002 1.00 0.00 C ATOM 224 C THR A 15 -9.552 -32.683 13.648 1.00 0.00 C ATOM 225 O THR A 15 -9.590 -31.951 14.637 1.00 0.00 O ATOM 226 CB THR A 15 -7.311 -33.700 14.062 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.962 -33.753 13.584 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.790 -35.103 14.402 1.00 0.00 C ATOM 0 H THR A 15 -6.879 -31.442 12.983 1.00 0.00 H new ATOM 0 HA THR A 15 -8.396 -33.767 12.198 1.00 0.00 H new ATOM 0 HB THR A 15 -7.352 -33.091 14.965 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.390 -34.165 14.265 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.132 -35.540 15.153 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.806 -35.056 14.794 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.776 -35.720 13.504 1.00 0.00 H new ATOM 236 N CYS A 16 -10.640 -33.194 13.083 1.00 0.00 N ATOM 237 CA CYS A 16 -11.974 -32.918 13.605 1.00 0.00 C ATOM 238 C CYS A 16 -12.167 -33.564 14.973 1.00 0.00 C ATOM 239 O CYS A 16 -12.244 -34.787 15.089 1.00 0.00 O ATOM 240 CB CYS A 16 -13.040 -33.425 12.633 1.00 0.00 C ATOM 241 SG CYS A 16 -14.690 -32.749 12.928 1.00 0.00 S ATOM 0 H CYS A 16 -10.625 -33.801 12.264 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.078 -31.839 13.715 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.735 -33.179 11.616 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.088 -34.512 12.698 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.420 -32.906 11.864 1.00 0.00 H new ATOM 246 N LYS A 17 -12.244 -32.734 16.008 1.00 0.00 N ATOM 247 CA LYS A 17 -12.428 -33.223 17.369 1.00 0.00 C ATOM 248 C LYS A 17 -13.840 -33.763 17.567 1.00 0.00 C ATOM 249 O LYS A 17 -14.138 -34.395 18.581 1.00 0.00 O ATOM 250 CB LYS A 17 -12.153 -32.104 18.376 1.00 0.00 C ATOM 251 CG LYS A 17 -13.141 -30.953 18.292 1.00 0.00 C ATOM 252 CD LYS A 17 -12.617 -29.715 19.000 1.00 0.00 C ATOM 253 CE LYS A 17 -11.718 -28.891 18.092 1.00 0.00 C ATOM 254 NZ LYS A 17 -11.504 -27.516 18.622 1.00 0.00 N ATOM 0 H LYS A 17 -12.182 -31.719 15.930 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.721 -34.036 17.535 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.177 -32.519 19.383 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.146 -31.720 18.213 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.340 -30.718 17.246 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.090 -31.253 18.737 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.455 -29.104 19.335 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.063 -30.011 19.891 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.756 -29.392 17.982 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.162 -28.832 17.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.886 -26.987 17.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.419 -27.029 18.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.057 -27.571 19.559 1.00 0.00 H new ATOM 268 N LYS A 18 -14.707 -33.512 16.592 1.00 0.00 N ATOM 269 CA LYS A 18 -16.088 -33.976 16.656 1.00 0.00 C ATOM 270 C LYS A 18 -16.166 -35.484 16.440 1.00 0.00 C ATOM 271 O LYS A 18 -16.648 -36.220 17.303 1.00 0.00 O ATOM 272 CB LYS A 18 -16.939 -33.255 15.609 1.00 0.00 C ATOM 273 CG LYS A 18 -16.705 -31.755 15.563 1.00 0.00 C ATOM 274 CD LYS A 18 -17.643 -31.074 14.579 1.00 0.00 C ATOM 275 CE LYS A 18 -17.639 -29.564 14.760 1.00 0.00 C ATOM 276 NZ LYS A 18 -18.614 -29.127 15.797 1.00 0.00 N ATOM 0 H LYS A 18 -14.477 -32.989 15.747 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.476 -33.749 17.649 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.727 -33.678 14.627 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.992 -33.444 15.816 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.850 -31.333 16.557 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.672 -31.556 15.280 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.344 -31.320 13.560 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.655 -31.455 14.716 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.639 -29.235 15.040 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.878 -29.084 13.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.581 -28.092 15.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.572 -29.419 15.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.371 -29.565 16.709 1.00 0.00 H new ATOM 290 N CYS A 19 -15.690 -35.937 15.286 1.00 0.00 N ATOM 291 CA CYS A 19 -15.705 -37.358 14.958 1.00 0.00 C ATOM 292 C CYS A 19 -14.287 -37.909 14.861 1.00 0.00 C ATOM 293 O CYS A 19 -14.055 -38.949 14.247 1.00 0.00 O ATOM 294 CB CYS A 19 -16.446 -37.590 13.640 1.00 0.00 C ATOM 295 SG CYS A 19 -15.882 -36.539 12.281 1.00 0.00 S ATOM 0 H CYS A 19 -15.289 -35.341 14.562 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.226 -37.885 15.758 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.330 -38.634 13.350 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.511 -37.419 13.799 1.00 0.00 H new ATOM 0 HG CYS A 19 -15.989 -35.290 12.625 1.00 0.00 H new ATOM 300 N ASN A 20 -13.340 -37.204 15.472 1.00 0.00 N ATOM 301 CA ASN A 20 -11.943 -37.622 15.453 1.00 0.00 C ATOM 302 C ASN A 20 -11.498 -37.967 14.035 1.00 0.00 C ATOM 303 O ASN A 20 -10.678 -38.862 13.830 1.00 0.00 O ATOM 304 CB ASN A 20 -11.737 -38.827 16.372 1.00 0.00 C ATOM 305 CG ASN A 20 -10.308 -38.939 16.868 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.919 -38.275 17.828 1.00 0.00 O ATOM 307 ND2 ASN A 20 -9.520 -39.783 16.213 1.00 0.00 N ATOM 0 H ASN A 20 -13.515 -36.341 15.986 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.336 -36.791 15.813 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.410 -38.748 17.226 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.006 -39.738 15.837 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.549 -39.901 16.501 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.886 -40.313 15.422 1.00 0.00 H new ATOM 314 N THR A 21 -12.044 -37.249 13.058 1.00 0.00 N ATOM 315 CA THR A 21 -11.704 -37.479 11.660 1.00 0.00 C ATOM 316 C THR A 21 -10.856 -36.340 11.106 1.00 0.00 C ATOM 317 O THR A 21 -11.199 -35.168 11.258 1.00 0.00 O ATOM 318 CB THR A 21 -12.968 -37.632 10.792 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.801 -38.670 11.320 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.599 -37.954 9.352 1.00 0.00 C ATOM 0 H THR A 21 -12.723 -36.504 13.210 1.00 0.00 H new ATOM 0 HA THR A 21 -11.132 -38.406 11.622 1.00 0.00 H new ATOM 0 HB THR A 21 -13.511 -36.687 10.809 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.601 -38.274 11.724 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.507 -38.058 8.758 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.988 -37.148 8.944 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.037 -38.887 9.320 1.00 0.00 H new ATOM 328 N ARG A 22 -9.748 -36.692 10.462 1.00 0.00 N ATOM 329 CA ARG A 22 -8.850 -35.699 9.885 1.00 0.00 C ATOM 330 C ARG A 22 -9.094 -35.551 8.386 1.00 0.00 C ATOM 331 O ARG A 22 -9.394 -36.526 7.696 1.00 0.00 O ATOM 332 CB ARG A 22 -7.393 -36.088 10.140 1.00 0.00 C ATOM 333 CG ARG A 22 -6.425 -34.921 10.038 1.00 0.00 C ATOM 334 CD ARG A 22 -4.980 -35.396 10.017 1.00 0.00 C ATOM 335 NE ARG A 22 -4.704 -36.260 8.872 1.00 0.00 N ATOM 336 CZ ARG A 22 -3.563 -36.920 8.708 1.00 0.00 C ATOM 337 NH1 ARG A 22 -2.597 -36.815 9.610 1.00 0.00 N ATOM 338 NH2 ARG A 22 -3.387 -37.687 7.640 1.00 0.00 N ATOM 0 H ARG A 22 -9.451 -37.658 10.327 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.052 -34.741 10.365 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.312 -36.530 11.133 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.100 -36.856 9.424 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.635 -34.351 9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.575 -34.247 10.881 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.315 -34.533 9.988 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.762 -35.935 10.939 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.427 -36.362 8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.729 -36.226 10.432 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.722 -37.323 9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.128 -37.770 6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.511 -38.194 7.515 1.00 0.00 H new ATOM 352 N SER A 23 -8.964 -34.325 7.888 1.00 0.00 N ATOM 353 CA SER A 23 -9.174 -34.049 6.472 1.00 0.00 C ATOM 354 C SER A 23 -8.386 -32.817 6.036 1.00 0.00 C ATOM 355 O SER A 23 -8.171 -31.894 6.821 1.00 0.00 O ATOM 356 CB SER A 23 -10.663 -33.842 6.187 1.00 0.00 C ATOM 357 OG SER A 23 -11.328 -33.297 7.314 1.00 0.00 O ATOM 0 H SER A 23 -8.714 -33.507 8.444 1.00 0.00 H new ATOM 0 HA SER A 23 -8.818 -34.908 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.784 -33.176 5.333 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.120 -34.794 5.916 1.00 0.00 H new ATOM 0 HG SER A 23 -11.358 -32.321 7.235 1.00 0.00 H new ATOM 363 N SER A 24 -7.957 -32.812 4.778 1.00 0.00 N ATOM 364 CA SER A 24 -7.189 -31.697 4.237 1.00 0.00 C ATOM 365 C SER A 24 -8.075 -30.786 3.392 1.00 0.00 C ATOM 366 O SER A 24 -8.990 -31.249 2.711 1.00 0.00 O ATOM 367 CB SER A 24 -6.021 -32.215 3.395 1.00 0.00 C ATOM 368 OG SER A 24 -6.219 -33.569 3.027 1.00 0.00 O ATOM 0 H SER A 24 -8.128 -33.568 4.114 1.00 0.00 H new ATOM 0 HA SER A 24 -6.796 -31.119 5.074 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.915 -31.603 2.499 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.092 -32.120 3.958 1.00 0.00 H new ATOM 0 HG SER A 24 -5.460 -33.876 2.488 1.00 0.00 H new ATOM 374 N HIS A 25 -7.795 -29.488 3.442 1.00 0.00 N ATOM 375 CA HIS A 25 -8.565 -28.510 2.681 1.00 0.00 C ATOM 376 C HIS A 25 -7.663 -27.397 2.156 1.00 0.00 C ATOM 377 O HIS A 25 -6.762 -26.933 2.854 1.00 0.00 O ATOM 378 CB HIS A 25 -9.675 -27.917 3.549 1.00 0.00 C ATOM 379 CG HIS A 25 -10.317 -28.913 4.465 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.489 -29.571 4.158 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.942 -29.363 5.685 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.808 -30.382 5.151 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.886 -30.275 6.090 1.00 0.00 N ATOM 0 H HIS A 25 -7.041 -29.089 4.001 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.014 -29.021 1.829 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.263 -27.102 4.144 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.439 -27.485 2.902 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -12.026 -29.451 3.299 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.064 -29.061 6.237 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.676 -31.024 5.188 1.00 0.00 H new ATOM 391 N THR A 26 -7.912 -26.974 0.920 1.00 0.00 N ATOM 392 CA THR A 26 -7.122 -25.918 0.301 1.00 0.00 C ATOM 393 C THR A 26 -7.952 -24.655 0.102 1.00 0.00 C ATOM 394 O THR A 26 -9.051 -24.704 -0.449 1.00 0.00 O ATOM 395 CB THR A 26 -6.554 -26.364 -1.059 1.00 0.00 C ATOM 396 OG1 THR A 26 -6.351 -27.782 -1.064 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.240 -25.658 -1.356 1.00 0.00 C ATOM 0 H THR A 26 -8.655 -27.347 0.329 1.00 0.00 H new ATOM 0 HA THR A 26 -6.296 -25.704 0.979 1.00 0.00 H new ATOM 0 HB THR A 26 -7.274 -26.097 -1.833 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.991 -28.058 -1.933 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.859 -25.990 -2.322 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.403 -24.581 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.515 -25.897 -0.578 1.00 0.00 H new ATOM 405 N MET A 27 -7.419 -23.524 0.554 1.00 0.00 N ATOM 406 CA MET A 27 -8.111 -22.247 0.423 1.00 0.00 C ATOM 407 C MET A 27 -7.117 -21.108 0.223 1.00 0.00 C ATOM 408 O MET A 27 -5.931 -21.247 0.523 1.00 0.00 O ATOM 409 CB MET A 27 -8.969 -21.979 1.661 1.00 0.00 C ATOM 410 CG MET A 27 -8.157 -21.740 2.924 1.00 0.00 C ATOM 411 SD MET A 27 -7.689 -23.273 3.749 1.00 0.00 S ATOM 412 CE MET A 27 -9.296 -23.916 4.207 1.00 0.00 C ATOM 0 H MET A 27 -6.510 -23.466 1.014 1.00 0.00 H new ATOM 0 HA MET A 27 -8.757 -22.300 -0.454 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.600 -21.110 1.475 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.635 -22.827 1.822 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.258 -21.178 2.672 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.736 -21.124 3.612 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.185 -24.619 5.033 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.943 -23.094 4.514 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.740 -24.427 3.353 1.00 0.00 H new ATOM 422 N SER A 28 -7.608 -19.982 -0.285 1.00 0.00 N ATOM 423 CA SER A 28 -6.761 -18.820 -0.529 1.00 0.00 C ATOM 424 C SER A 28 -6.028 -18.406 0.743 1.00 0.00 C ATOM 425 O SER A 28 -6.648 -18.150 1.776 1.00 0.00 O ATOM 426 CB SER A 28 -7.600 -17.652 -1.051 1.00 0.00 C ATOM 427 OG SER A 28 -8.854 -17.591 -0.395 1.00 0.00 O ATOM 0 H SER A 28 -8.588 -19.850 -0.536 1.00 0.00 H new ATOM 0 HA SER A 28 -6.021 -19.092 -1.282 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.061 -16.717 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.753 -17.761 -2.125 1.00 0.00 H new ATOM 0 HG SER A 28 -9.310 -16.758 -0.638 1.00 0.00 H new ATOM 433 N LYS A 29 -4.703 -18.341 0.661 1.00 0.00 N ATOM 434 CA LYS A 29 -3.883 -17.956 1.803 1.00 0.00 C ATOM 435 C LYS A 29 -4.210 -16.537 2.255 1.00 0.00 C ATOM 436 O LYS A 29 -4.136 -16.221 3.442 1.00 0.00 O ATOM 437 CB LYS A 29 -2.398 -18.061 1.449 1.00 0.00 C ATOM 438 CG LYS A 29 -1.914 -16.957 0.525 1.00 0.00 C ATOM 439 CD LYS A 29 -1.355 -15.780 1.307 1.00 0.00 C ATOM 440 CE LYS A 29 -0.343 -14.996 0.487 1.00 0.00 C ATOM 441 NZ LYS A 29 -0.170 -13.608 0.998 1.00 0.00 N ATOM 0 H LYS A 29 -4.174 -18.550 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.104 -18.639 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.812 -18.038 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.213 -19.026 0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.146 -17.350 -0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.739 -16.619 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.170 -15.121 1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.883 -16.140 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.617 -15.512 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.667 -14.962 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.528 -13.107 0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.080 -13.107 0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.164 -13.640 1.983 1.00 0.00 H new ATOM 455 N GLN A 30 -4.573 -15.686 1.301 1.00 0.00 N ATOM 456 CA GLN A 30 -4.912 -14.300 1.602 1.00 0.00 C ATOM 457 C GLN A 30 -6.223 -14.217 2.377 1.00 0.00 C ATOM 458 O GLN A 30 -6.344 -13.445 3.328 1.00 0.00 O ATOM 459 CB GLN A 30 -5.018 -13.486 0.311 1.00 0.00 C ATOM 460 CG GLN A 30 -4.670 -12.017 0.487 1.00 0.00 C ATOM 461 CD GLN A 30 -5.873 -11.109 0.329 1.00 0.00 C ATOM 462 OE1 GLN A 30 -6.378 -10.916 -0.777 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.340 -10.546 1.438 1.00 0.00 N ATOM 0 H GLN A 30 -4.640 -15.932 0.313 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.117 -13.884 2.221 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.356 -13.920 -0.438 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.034 -13.566 -0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.234 -11.867 1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.910 -11.738 -0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.890 -10.734 2.334 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.148 -9.926 1.394 1.00 0.00 H new ATOM 472 N ALA A 31 -7.201 -15.016 1.965 1.00 0.00 N ATOM 473 CA ALA A 31 -8.502 -15.033 2.622 1.00 0.00 C ATOM 474 C ALA A 31 -8.420 -15.715 3.984 1.00 0.00 C ATOM 475 O ALA A 31 -9.140 -15.353 4.914 1.00 0.00 O ATOM 476 CB ALA A 31 -9.529 -15.730 1.742 1.00 0.00 C ATOM 0 H ALA A 31 -7.117 -15.660 1.179 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.815 -14.001 2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.496 -15.735 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.616 -15.199 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.212 -16.756 1.555 1.00 0.00 H new ATOM 482 N TYR A 32 -7.539 -16.704 4.093 1.00 0.00 N ATOM 483 CA TYR A 32 -7.366 -17.438 5.340 1.00 0.00 C ATOM 484 C TYR A 32 -6.597 -16.605 6.361 1.00 0.00 C ATOM 485 O TYR A 32 -7.004 -16.491 7.517 1.00 0.00 O ATOM 486 CB TYR A 32 -6.630 -18.755 5.083 1.00 0.00 C ATOM 487 CG TYR A 32 -6.215 -19.473 6.347 1.00 0.00 C ATOM 488 CD1 TYR A 32 -7.087 -20.337 6.997 1.00 0.00 C ATOM 489 CD2 TYR A 32 -4.950 -19.289 6.890 1.00 0.00 C ATOM 490 CE1 TYR A 32 -6.712 -20.995 8.153 1.00 0.00 C ATOM 491 CE2 TYR A 32 -4.565 -19.943 8.045 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.450 -20.795 8.672 1.00 0.00 C ATOM 493 OH TYR A 32 -5.072 -21.449 9.822 1.00 0.00 O ATOM 0 H TYR A 32 -6.934 -17.015 3.333 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.355 -17.654 5.745 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.272 -19.412 4.496 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.744 -18.555 4.481 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.075 -20.497 6.592 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.255 -18.623 6.401 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.403 -21.662 8.647 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.578 -19.788 8.454 1.00 0.00 H new ATOM 0 HH TYR A 32 -4.153 -21.199 10.053 1.00 0.00 H new ATOM 503 N GLU A 33 -5.484 -16.024 5.924 1.00 0.00 N ATOM 504 CA GLU A 33 -4.658 -15.200 6.799 1.00 0.00 C ATOM 505 C GLU A 33 -5.316 -13.847 7.053 1.00 0.00 C ATOM 506 O GLU A 33 -5.135 -13.244 8.111 1.00 0.00 O ATOM 507 CB GLU A 33 -3.271 -14.998 6.186 1.00 0.00 C ATOM 508 CG GLU A 33 -2.351 -16.196 6.354 1.00 0.00 C ATOM 509 CD GLU A 33 -0.892 -15.847 6.131 1.00 0.00 C ATOM 510 OE1 GLU A 33 -0.360 -15.012 6.892 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.284 -16.409 5.197 1.00 0.00 O ATOM 0 H GLU A 33 -5.134 -16.109 4.970 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.554 -15.718 7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.381 -14.781 5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.805 -14.125 6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.474 -16.606 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.645 -16.977 5.652 1.00 0.00 H new ATOM 518 N LYS A 34 -6.081 -13.374 6.075 1.00 0.00 N ATOM 519 CA LYS A 34 -6.767 -12.093 6.190 1.00 0.00 C ATOM 520 C LYS A 34 -8.212 -12.205 5.714 1.00 0.00 C ATOM 521 O LYS A 34 -8.573 -11.672 4.665 1.00 0.00 O ATOM 522 CB LYS A 34 -6.033 -11.023 5.379 1.00 0.00 C ATOM 523 CG LYS A 34 -4.570 -10.871 5.757 1.00 0.00 C ATOM 524 CD LYS A 34 -4.380 -9.824 6.841 1.00 0.00 C ATOM 525 CE LYS A 34 -4.398 -10.449 8.228 1.00 0.00 C ATOM 526 NZ LYS A 34 -3.903 -9.505 9.268 1.00 0.00 N ATOM 0 H LYS A 34 -6.242 -13.860 5.193 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.771 -11.804 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.102 -11.271 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.536 -10.066 5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.181 -11.829 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.993 -10.592 4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.434 -9.306 6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.169 -9.075 6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.414 -10.760 8.473 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.781 -11.347 8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.931 -9.968 10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.925 -9.228 9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.507 -8.659 9.284 1.00 0.00 H new ATOM 540 N GLY A 35 -9.035 -12.900 6.493 1.00 0.00 N ATOM 541 CA GLY A 35 -10.431 -13.068 6.134 1.00 0.00 C ATOM 542 C GLY A 35 -11.055 -14.286 6.786 1.00 0.00 C ATOM 543 O GLY A 35 -10.427 -14.948 7.613 1.00 0.00 O ATOM 0 H GLY A 35 -8.760 -13.350 7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.988 -12.178 6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.516 -13.156 5.051 1.00 0.00 H new ATOM 547 N THR A 36 -12.297 -14.583 6.415 1.00 0.00 N ATOM 548 CA THR A 36 -13.008 -15.727 6.971 1.00 0.00 C ATOM 549 C THR A 36 -12.920 -16.933 6.043 1.00 0.00 C ATOM 550 O THR A 36 -12.969 -16.793 4.821 1.00 0.00 O ATOM 551 CB THR A 36 -14.490 -15.397 7.228 1.00 0.00 C ATOM 552 OG1 THR A 36 -14.605 -14.114 7.854 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.136 -16.456 8.109 1.00 0.00 C ATOM 0 H THR A 36 -12.831 -14.046 5.731 1.00 0.00 H new ATOM 0 HA THR A 36 -12.528 -15.967 7.920 1.00 0.00 H new ATOM 0 HB THR A 36 -15.007 -15.381 6.269 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.181 -14.186 8.643 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.182 -16.201 8.276 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.073 -17.427 7.617 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.616 -16.500 9.066 1.00 0.00 H new ATOM 561 N VAL A 37 -12.792 -18.118 6.630 1.00 0.00 N ATOM 562 CA VAL A 37 -12.701 -19.350 5.855 1.00 0.00 C ATOM 563 C VAL A 37 -13.513 -20.467 6.500 1.00 0.00 C ATOM 564 O VAL A 37 -13.426 -20.695 7.708 1.00 0.00 O ATOM 565 CB VAL A 37 -11.239 -19.812 5.707 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.507 -18.953 4.687 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.530 -19.776 7.052 1.00 0.00 C ATOM 0 H VAL A 37 -12.749 -18.251 7.640 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.108 -19.134 4.867 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.237 -20.841 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.476 -19.295 4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.003 -19.035 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.517 -17.913 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.498 -20.106 6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.542 -18.758 7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.041 -20.438 7.751 1.00 0.00 H new ATOM 577 N LEU A 38 -14.301 -21.162 5.688 1.00 0.00 N ATOM 578 CA LEU A 38 -15.130 -22.258 6.179 1.00 0.00 C ATOM 579 C LEU A 38 -14.785 -23.562 5.468 1.00 0.00 C ATOM 580 O LEU A 38 -14.640 -23.594 4.245 1.00 0.00 O ATOM 581 CB LEU A 38 -16.611 -21.932 5.981 1.00 0.00 C ATOM 582 CG LEU A 38 -17.512 -22.135 7.200 1.00 0.00 C ATOM 583 CD1 LEU A 38 -17.193 -21.108 8.276 1.00 0.00 C ATOM 584 CD2 LEU A 38 -18.978 -22.053 6.799 1.00 0.00 C ATOM 0 H LEU A 38 -14.384 -20.987 4.687 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.931 -22.382 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.694 -20.893 5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.992 -22.547 5.166 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.323 -23.128 7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.844 -21.268 9.136 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.153 -21.214 8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.354 -20.105 7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.605 -22.200 7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.183 -21.073 6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -19.198 -22.827 6.064 1.00 0.00 H new ATOM 596 N ILE A 39 -14.658 -24.636 6.240 1.00 0.00 N ATOM 597 CA ILE A 39 -14.334 -25.943 5.683 1.00 0.00 C ATOM 598 C ILE A 39 -15.246 -27.025 6.252 1.00 0.00 C ATOM 599 O ILE A 39 -15.546 -27.033 7.446 1.00 0.00 O ATOM 600 CB ILE A 39 -12.868 -26.326 5.960 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.538 -26.130 7.442 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.931 -25.500 5.090 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.391 -26.991 7.924 1.00 0.00 C ATOM 0 H ILE A 39 -14.775 -24.626 7.253 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.485 -25.873 4.606 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.730 -27.378 5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.293 -25.082 7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.424 -26.353 8.036 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.899 -25.782 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.153 -25.684 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.069 -24.441 5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.213 -26.800 8.982 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.641 -28.042 7.782 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.492 -26.751 7.356 1.00 0.00 H new ATOM 615 N SER A 40 -15.682 -27.937 5.390 1.00 0.00 N ATOM 616 CA SER A 40 -16.562 -29.023 5.806 1.00 0.00 C ATOM 617 C SER A 40 -15.778 -30.320 5.982 1.00 0.00 C ATOM 618 O SER A 40 -14.939 -30.669 5.151 1.00 0.00 O ATOM 619 CB SER A 40 -17.679 -29.224 4.780 1.00 0.00 C ATOM 620 OG SER A 40 -17.327 -30.215 3.830 1.00 0.00 O ATOM 0 H SER A 40 -15.440 -27.946 4.399 1.00 0.00 H new ATOM 0 HA SER A 40 -17.004 -28.753 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.597 -29.515 5.290 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.882 -28.282 4.270 1.00 0.00 H new ATOM 0 HG SER A 40 -18.058 -30.326 3.187 1.00 0.00 H new ATOM 626 N CYS A 41 -16.058 -31.030 7.070 1.00 0.00 N ATOM 627 CA CYS A 41 -15.379 -32.289 7.357 1.00 0.00 C ATOM 628 C CYS A 41 -16.089 -33.456 6.678 1.00 0.00 C ATOM 629 O CYS A 41 -17.263 -33.731 6.928 1.00 0.00 O ATOM 630 CB CYS A 41 -15.314 -32.524 8.867 1.00 0.00 C ATOM 631 SG CYS A 41 -14.656 -34.141 9.334 1.00 0.00 S ATOM 0 H CYS A 41 -16.750 -30.755 7.767 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.365 -32.225 6.963 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.696 -31.748 9.318 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.315 -32.417 9.284 1.00 0.00 H new ATOM 0 HG CYS A 41 -15.276 -35.070 8.669 1.00 0.00 H new ATOM 636 N PRO A 42 -15.361 -34.160 5.798 1.00 0.00 N ATOM 637 CA PRO A 42 -15.901 -35.309 5.065 1.00 0.00 C ATOM 638 C PRO A 42 -16.149 -36.510 5.970 1.00 0.00 C ATOM 639 O PRO A 42 -15.463 -37.528 5.869 1.00 0.00 O ATOM 640 CB PRO A 42 -14.805 -35.625 4.044 1.00 0.00 C ATOM 641 CG PRO A 42 -13.553 -35.101 4.659 1.00 0.00 C ATOM 642 CD PRO A 42 -13.956 -33.889 5.452 1.00 0.00 C ATOM 0 HA PRO A 42 -16.869 -35.088 4.616 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.736 -36.696 3.856 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.006 -35.146 3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.090 -35.851 5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.822 -34.841 3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.339 -33.768 6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.855 -32.975 4.868 1.00 0.00 H new ATOM 650 N HIS A 43 -17.133 -36.386 6.855 1.00 0.00 N ATOM 651 CA HIS A 43 -17.471 -37.463 7.778 1.00 0.00 C ATOM 652 C HIS A 43 -18.723 -37.119 8.579 1.00 0.00 C ATOM 653 O HIS A 43 -19.698 -37.872 8.580 1.00 0.00 O ATOM 654 CB HIS A 43 -16.304 -37.737 8.727 1.00 0.00 C ATOM 655 CG HIS A 43 -16.351 -39.093 9.360 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.908 -40.235 8.727 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.792 -39.486 10.578 1.00 0.00 C ATOM 658 CE1 HIS A 43 -16.075 -41.272 9.528 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.609 -40.845 10.658 1.00 0.00 N ATOM 0 H HIS A 43 -17.710 -35.551 6.952 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.670 -38.360 7.192 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -15.368 -37.634 8.178 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -16.299 -36.979 9.511 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -17.210 -38.850 11.344 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.818 -42.296 9.298 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.847 -41.429 11.460 1.00 0.00 H new ATOM 667 N CYS A 44 -18.689 -35.979 9.260 1.00 0.00 N ATOM 668 CA CYS A 44 -19.820 -35.536 10.067 1.00 0.00 C ATOM 669 C CYS A 44 -20.704 -34.573 9.281 1.00 0.00 C ATOM 670 O CYS A 44 -21.756 -34.147 9.760 1.00 0.00 O ATOM 671 CB CYS A 44 -19.327 -34.864 11.349 1.00 0.00 C ATOM 672 SG CYS A 44 -18.182 -33.493 11.071 1.00 0.00 S ATOM 0 H CYS A 44 -17.890 -35.345 9.269 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.412 -36.412 10.330 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -20.188 -34.497 11.908 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.837 -35.612 11.973 1.00 0.00 H new ATOM 0 HG CYS A 44 -17.055 -33.954 10.615 1.00 0.00 H new ATOM 677 N LYS A 45 -20.270 -34.231 8.073 1.00 0.00 N ATOM 678 CA LYS A 45 -21.020 -33.317 7.220 1.00 0.00 C ATOM 679 C LYS A 45 -21.372 -32.037 7.970 1.00 0.00 C ATOM 680 O LYS A 45 -22.475 -31.899 8.499 1.00 0.00 O ATOM 681 CB LYS A 45 -22.297 -33.992 6.714 1.00 0.00 C ATOM 682 CG LYS A 45 -22.053 -35.006 5.610 1.00 0.00 C ATOM 683 CD LYS A 45 -21.918 -34.333 4.254 1.00 0.00 C ATOM 684 CE LYS A 45 -23.277 -34.079 3.620 1.00 0.00 C ATOM 685 NZ LYS A 45 -23.893 -35.335 3.109 1.00 0.00 N ATOM 0 H LYS A 45 -19.402 -34.574 7.662 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.392 -33.056 6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.791 -34.489 7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.982 -33.227 6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.147 -35.572 5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.876 -35.720 5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -21.386 -33.389 4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.319 -34.960 3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.940 -33.621 4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -23.169 -33.368 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.701 -35.101 2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.188 -35.870 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.221 -35.912 3.910 1.00 0.00 H new ATOM 699 N VAL A 46 -20.427 -31.102 8.012 1.00 0.00 N ATOM 700 CA VAL A 46 -20.639 -29.832 8.696 1.00 0.00 C ATOM 701 C VAL A 46 -19.446 -28.902 8.508 1.00 0.00 C ATOM 702 O VAL A 46 -18.294 -29.336 8.553 1.00 0.00 O ATOM 703 CB VAL A 46 -20.883 -30.039 10.202 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.591 -30.428 10.904 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.480 -28.785 10.822 1.00 0.00 C ATOM 0 H VAL A 46 -19.508 -31.201 7.581 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.525 -29.377 8.252 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.596 -30.854 10.328 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.783 -30.570 11.967 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -19.210 -31.356 10.477 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.852 -29.637 10.771 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.646 -28.949 11.887 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.793 -27.950 10.686 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.429 -28.556 10.338 1.00 0.00 H new ATOM 715 N ARG A 47 -19.728 -27.620 8.299 1.00 0.00 N ATOM 716 CA ARG A 47 -18.678 -26.628 8.104 1.00 0.00 C ATOM 717 C ARG A 47 -18.263 -26.007 9.434 1.00 0.00 C ATOM 718 O ARG A 47 -19.103 -25.733 10.292 1.00 0.00 O ATOM 719 CB ARG A 47 -19.152 -25.535 7.144 1.00 0.00 C ATOM 720 CG ARG A 47 -19.239 -25.991 5.697 1.00 0.00 C ATOM 721 CD ARG A 47 -20.475 -26.843 5.455 1.00 0.00 C ATOM 722 NE ARG A 47 -21.149 -26.488 4.209 1.00 0.00 N ATOM 723 CZ ARG A 47 -22.010 -27.285 3.586 1.00 0.00 C ATOM 724 NH1 ARG A 47 -22.301 -28.476 4.092 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.583 -26.891 2.456 1.00 0.00 N ATOM 0 H ARG A 47 -20.675 -27.244 8.260 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.813 -27.131 7.672 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.132 -25.182 7.464 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.471 -24.686 7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.261 -25.121 5.041 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.346 -26.561 5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.190 -27.895 5.426 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -21.167 -26.723 6.289 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.948 -25.578 3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.863 -28.782 4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -22.962 -29.086 3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.363 -25.975 2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.244 -27.504 1.979 1.00 0.00 H new ATOM 739 N HIS A 48 -16.962 -25.788 9.599 1.00 0.00 N ATOM 740 CA HIS A 48 -16.436 -25.200 10.825 1.00 0.00 C ATOM 741 C HIS A 48 -15.546 -24.000 10.514 1.00 0.00 C ATOM 742 O HIS A 48 -14.910 -23.943 9.460 1.00 0.00 O ATOM 743 CB HIS A 48 -15.647 -26.242 11.619 1.00 0.00 C ATOM 744 CG HIS A 48 -15.567 -27.575 10.942 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.457 -28.599 11.188 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.696 -28.050 10.020 1.00 0.00 C ATOM 747 CE1 HIS A 48 -16.137 -29.646 10.448 1.00 0.00 C ATOM 748 NE2 HIS A 48 -15.072 -29.338 9.731 1.00 0.00 N ATOM 0 H HIS A 48 -16.254 -26.009 8.899 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.279 -24.859 11.425 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.637 -25.869 11.789 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.110 -26.368 12.598 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.240 -28.555 11.840 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.861 -27.515 9.592 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.658 -30.592 10.432 1.00 0.00 H new ATOM 756 N LEU A 49 -15.506 -23.044 11.435 1.00 0.00 N ATOM 757 CA LEU A 49 -14.695 -21.845 11.258 1.00 0.00 C ATOM 758 C LEU A 49 -13.251 -22.097 11.680 1.00 0.00 C ATOM 759 O LEU A 49 -12.995 -22.681 12.734 1.00 0.00 O ATOM 760 CB LEU A 49 -15.280 -20.685 12.067 1.00 0.00 C ATOM 761 CG LEU A 49 -14.765 -19.291 11.709 1.00 0.00 C ATOM 762 CD1 LEU A 49 -14.963 -19.013 10.227 1.00 0.00 C ATOM 763 CD2 LEU A 49 -15.465 -18.232 12.549 1.00 0.00 C ATOM 0 H LEU A 49 -16.026 -23.076 12.312 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.704 -21.583 10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.363 -20.693 11.945 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.077 -20.866 13.123 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.698 -19.252 11.926 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.591 -18.016 9.991 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.416 -19.753 9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -16.024 -19.071 9.985 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.086 -17.246 12.281 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.538 -18.271 12.363 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.273 -18.420 13.605 1.00 0.00 H new ATOM 775 N ILE A 50 -12.311 -21.652 10.853 1.00 0.00 N ATOM 776 CA ILE A 50 -10.894 -21.826 11.143 1.00 0.00 C ATOM 777 C ILE A 50 -10.234 -20.494 11.483 1.00 0.00 C ATOM 778 O ILE A 50 -9.743 -20.299 12.594 1.00 0.00 O ATOM 779 CB ILE A 50 -10.151 -22.466 9.955 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.106 -22.666 8.776 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.529 -23.791 10.370 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.444 -23.271 7.558 1.00 0.00 C ATOM 0 H ILE A 50 -12.506 -21.168 9.976 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.828 -22.491 12.004 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.352 -21.794 9.642 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.928 -23.309 9.090 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.540 -21.704 8.503 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.008 -24.230 9.520 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.821 -23.622 11.182 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.312 -24.471 10.707 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.180 -23.384 6.762 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.640 -22.618 7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.034 -24.248 7.814 1.00 0.00 H new ATOM 794 N ALA A 51 -10.227 -19.580 10.518 1.00 0.00 N ATOM 795 CA ALA A 51 -9.632 -18.265 10.717 1.00 0.00 C ATOM 796 C ALA A 51 -10.683 -17.165 10.615 1.00 0.00 C ATOM 797 O ALA A 51 -11.125 -16.814 9.521 1.00 0.00 O ATOM 798 CB ALA A 51 -8.521 -18.030 9.704 1.00 0.00 C ATOM 0 H ALA A 51 -10.627 -19.727 9.591 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.208 -18.234 11.721 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.085 -17.044 9.864 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.751 -18.791 9.826 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.930 -18.086 8.695 1.00 0.00 H new ATOM 804 N ASP A 52 -11.080 -16.625 11.762 1.00 0.00 N ATOM 805 CA ASP A 52 -12.080 -15.564 11.802 1.00 0.00 C ATOM 806 C ASP A 52 -11.416 -14.191 11.792 1.00 0.00 C ATOM 807 O ASP A 52 -10.784 -13.788 12.769 1.00 0.00 O ATOM 808 CB ASP A 52 -12.959 -15.710 13.045 1.00 0.00 C ATOM 809 CG ASP A 52 -12.159 -15.648 14.331 1.00 0.00 C ATOM 810 OD1 ASP A 52 -11.318 -16.544 14.550 1.00 0.00 O ATOM 811 OD2 ASP A 52 -12.375 -14.704 15.120 1.00 0.00 O ATOM 0 H ASP A 52 -10.725 -16.904 12.676 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.704 -15.652 10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.710 -14.920 13.050 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.494 -16.659 12.999 1.00 0.00 H new ATOM 816 N HIS A 53 -11.562 -13.476 10.680 1.00 0.00 N ATOM 817 CA HIS A 53 -10.976 -12.148 10.543 1.00 0.00 C ATOM 818 C HIS A 53 -12.056 -11.101 10.286 1.00 0.00 C ATOM 819 O HIS A 53 -11.896 -9.931 10.635 1.00 0.00 O ATOM 820 CB HIS A 53 -9.955 -12.133 9.404 1.00 0.00 C ATOM 821 CG HIS A 53 -8.534 -12.088 9.875 1.00 0.00 C ATOM 822 ND1 HIS A 53 -7.931 -10.937 10.338 1.00 0.00 N ATOM 823 CD2 HIS A 53 -7.596 -13.060 9.954 1.00 0.00 C ATOM 824 CE1 HIS A 53 -6.683 -11.204 10.680 1.00 0.00 C ATOM 825 NE2 HIS A 53 -6.455 -12.485 10.457 1.00 0.00 N ATOM 0 H HIS A 53 -12.081 -13.795 9.862 1.00 0.00 H new ATOM 0 HA HIS A 53 -10.471 -11.903 11.478 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.097 -13.021 8.788 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.146 -11.269 8.767 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.721 -14.095 9.674 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.971 -10.495 11.075 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.574 -12.969 10.630 1.00 0.00 H new ATOM 833 N LEU A 54 -13.155 -11.530 9.675 1.00 0.00 N ATOM 834 CA LEU A 54 -14.262 -10.630 9.371 1.00 0.00 C ATOM 835 C LEU A 54 -15.338 -10.708 10.449 1.00 0.00 C ATOM 836 O LEU A 54 -16.284 -9.919 10.456 1.00 0.00 O ATOM 837 CB LEU A 54 -14.864 -10.972 8.007 1.00 0.00 C ATOM 838 CG LEU A 54 -13.866 -11.195 6.870 1.00 0.00 C ATOM 839 CD1 LEU A 54 -14.541 -11.885 5.695 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.251 -9.873 6.434 1.00 0.00 C ATOM 0 H LEU A 54 -13.303 -12.495 9.380 1.00 0.00 H new ATOM 0 HA LEU A 54 -13.874 -9.612 9.344 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.469 -11.872 8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.540 -10.167 7.718 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.068 -11.842 7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.815 -12.035 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.933 -12.850 6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.360 -11.265 5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.543 -10.050 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.038 -9.202 6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.731 -9.418 7.277 1.00 0.00 H new ATOM 852 N LYS A 55 -15.188 -11.663 11.360 1.00 0.00 N ATOM 853 CA LYS A 55 -16.145 -11.843 12.445 1.00 0.00 C ATOM 854 C LYS A 55 -17.573 -11.882 11.911 1.00 0.00 C ATOM 855 O LYS A 55 -18.426 -11.103 12.337 1.00 0.00 O ATOM 856 CB LYS A 55 -16.003 -10.715 13.470 1.00 0.00 C ATOM 857 CG LYS A 55 -14.801 -10.873 14.385 1.00 0.00 C ATOM 858 CD LYS A 55 -14.586 -9.637 15.242 1.00 0.00 C ATOM 859 CE LYS A 55 -14.049 -8.475 14.420 1.00 0.00 C ATOM 860 NZ LYS A 55 -13.789 -7.274 15.262 1.00 0.00 N ATOM 0 H LYS A 55 -14.412 -12.325 11.369 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.931 -12.796 12.930 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.925 -9.764 12.943 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.908 -10.670 14.077 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.943 -11.742 15.027 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.910 -11.062 13.787 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.528 -9.349 15.709 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.888 -9.868 16.047 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.127 -8.777 13.923 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.765 -8.222 13.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.424 -6.504 14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.674 -6.970 15.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.087 -7.508 15.993 1.00 0.00 H new ATOM 874 N ILE A 56 -17.826 -12.793 10.978 1.00 0.00 N ATOM 875 CA ILE A 56 -19.152 -12.934 10.388 1.00 0.00 C ATOM 876 C ILE A 56 -20.106 -13.642 11.343 1.00 0.00 C ATOM 877 O ILE A 56 -21.213 -13.168 11.598 1.00 0.00 O ATOM 878 CB ILE A 56 -19.098 -13.714 9.062 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.041 -13.112 8.133 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.463 -13.713 8.390 1.00 0.00 C ATOM 881 CD1 ILE A 56 -17.832 -13.904 6.862 1.00 0.00 C ATOM 0 H ILE A 56 -17.131 -13.445 10.614 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.519 -11.926 10.192 1.00 0.00 H new ATOM 0 HB ILE A 56 -18.821 -14.746 9.277 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -18.334 -12.095 7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.094 -13.044 8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.408 -14.268 7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.193 -14.183 9.049 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -20.767 -12.686 8.185 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.070 -13.419 6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.508 -14.914 7.112 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -18.767 -13.950 6.304 1.00 0.00 H new ATOM 893 N PHE A 57 -19.669 -14.781 11.871 1.00 0.00 N ATOM 894 CA PHE A 57 -20.483 -15.556 12.800 1.00 0.00 C ATOM 895 C PHE A 57 -20.410 -14.970 14.207 1.00 0.00 C ATOM 896 O PHE A 57 -21.209 -15.315 15.078 1.00 0.00 O ATOM 897 CB PHE A 57 -20.025 -17.015 12.818 1.00 0.00 C ATOM 898 CG PHE A 57 -19.846 -17.605 11.448 1.00 0.00 C ATOM 899 CD1 PHE A 57 -20.920 -18.164 10.775 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.604 -17.599 10.834 1.00 0.00 C ATOM 901 CE1 PHE A 57 -20.758 -18.708 9.515 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.436 -18.141 9.574 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.515 -18.695 8.913 1.00 0.00 C ATOM 0 H PHE A 57 -18.755 -15.188 11.671 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.518 -15.512 12.461 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.082 -17.085 13.361 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.754 -17.609 13.368 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -21.895 -18.175 11.240 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.757 -17.166 11.346 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -21.603 -19.143 9.001 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.462 -18.131 9.107 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.387 -19.117 7.927 1.00 0.00 H new ATOM 913 N HIS A 58 -19.444 -14.082 14.422 1.00 0.00 N ATOM 914 CA HIS A 58 -19.265 -13.447 15.723 1.00 0.00 C ATOM 915 C HIS A 58 -20.525 -12.693 16.137 1.00 0.00 C ATOM 916 O HIS A 58 -20.788 -12.509 17.326 1.00 0.00 O ATOM 917 CB HIS A 58 -18.072 -12.492 15.688 1.00 0.00 C ATOM 918 CG HIS A 58 -17.598 -12.076 17.047 1.00 0.00 C ATOM 919 ND1 HIS A 58 -18.204 -11.079 17.782 1.00 0.00 N ATOM 920 CD2 HIS A 58 -16.572 -12.529 17.804 1.00 0.00 C ATOM 921 CE1 HIS A 58 -17.569 -10.935 18.932 1.00 0.00 C ATOM 922 NE2 HIS A 58 -16.575 -11.804 18.970 1.00 0.00 N ATOM 0 H HIS A 58 -18.774 -13.786 13.712 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.073 -14.228 16.458 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.250 -12.970 15.156 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.345 -11.603 15.120 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -15.880 -13.315 17.540 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -17.820 -10.227 19.708 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -15.916 -11.918 19.741 1.00 0.00 H new ATOM 930 N ASP A 59 -21.299 -12.257 15.150 1.00 0.00 N ATOM 931 CA ASP A 59 -22.531 -11.522 15.411 1.00 0.00 C ATOM 932 C ASP A 59 -23.705 -12.478 15.597 1.00 0.00 C ATOM 933 O ASP A 59 -24.856 -12.052 15.702 1.00 0.00 O ATOM 934 CB ASP A 59 -22.824 -10.551 14.266 1.00 0.00 C ATOM 935 CG ASP A 59 -21.564 -10.093 13.559 1.00 0.00 C ATOM 936 OD1 ASP A 59 -20.861 -9.216 14.105 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.279 -10.612 12.459 1.00 0.00 O ATOM 0 H ASP A 59 -21.095 -12.400 14.161 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.398 -10.955 16.332 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -23.487 -11.032 13.546 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -23.354 -9.682 14.657 1.00 0.00 H new ATOM 942 N HIS A 60 -23.407 -13.772 15.637 1.00 0.00 N ATOM 943 CA HIS A 60 -24.438 -14.790 15.810 1.00 0.00 C ATOM 944 C HIS A 60 -25.742 -14.360 15.144 1.00 0.00 C ATOM 945 O HIS A 60 -26.809 -14.407 15.758 1.00 0.00 O ATOM 946 CB HIS A 60 -24.674 -15.059 17.296 1.00 0.00 C ATOM 947 CG HIS A 60 -24.729 -13.815 18.129 1.00 0.00 C ATOM 948 ND1 HIS A 60 -25.694 -12.873 18.250 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -23.704 -13.423 18.963 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -25.239 -11.939 19.148 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -24.037 -12.294 19.564 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.460 -14.141 15.552 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.093 -15.708 15.334 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.609 -15.607 17.414 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -23.878 -15.703 17.671 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -22.775 -13.955 19.103 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -25.777 -11.057 19.463 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -23.463 -11.784 20.235 1.00 0.00 H new ATOM 959 N HIS A 61 -25.649 -13.939 13.887 1.00 0.00 N ATOM 960 CA HIS A 61 -26.821 -13.500 13.139 1.00 0.00 C ATOM 961 C HIS A 61 -26.743 -13.962 11.687 1.00 0.00 C ATOM 962 O HIS A 61 -27.510 -13.507 10.838 1.00 0.00 O ATOM 963 CB HIS A 61 -26.949 -11.978 13.196 1.00 0.00 C ATOM 964 CG HIS A 61 -27.963 -11.498 14.188 1.00 0.00 C ATOM 965 ND1 HIS A 61 -27.913 -11.420 15.538 1.00 0.00 N flip ATOM 966 CD2 HIS A 61 -29.207 -11.027 13.824 1.00 0.00 C flip ATOM 967 CE1 HIS A 61 -29.115 -10.907 15.961 1.00 0.00 C flip ATOM 968 NE2 HIS A 61 -29.877 -10.679 14.907 1.00 0.00 N flip ATOM 0 H HIS A 61 -24.774 -13.893 13.365 1.00 0.00 H new ATOM 0 HA HIS A 61 -27.702 -13.948 13.598 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -25.978 -11.549 13.445 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.217 -11.607 12.207 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -27.129 -11.692 16.131 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -29.575 -10.954 12.811 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -29.392 -10.721 16.988 1.00 0.00 H new ATOM 976 N VAL A 62 -25.811 -14.868 11.408 1.00 0.00 N ATOM 977 CA VAL A 62 -25.633 -15.391 10.059 1.00 0.00 C ATOM 978 C VAL A 62 -25.442 -16.904 10.077 1.00 0.00 C ATOM 979 O VAL A 62 -24.700 -17.438 10.903 1.00 0.00 O ATOM 980 CB VAL A 62 -24.425 -14.741 9.359 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.127 -15.165 10.029 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.412 -15.096 7.880 1.00 0.00 C ATOM 0 H VAL A 62 -25.168 -15.255 12.099 1.00 0.00 H new ATOM 0 HA VAL A 62 -26.539 -15.148 9.504 1.00 0.00 H new ATOM 0 HB VAL A 62 -24.515 -13.658 9.449 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.285 -14.696 9.520 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.139 -14.855 11.074 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.026 -16.249 9.973 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -23.552 -14.628 7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.347 -16.178 7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.328 -14.736 7.411 1.00 0.00 H new ATOM 992 N THR A 63 -26.115 -17.591 9.160 1.00 0.00 N ATOM 993 CA THR A 63 -26.020 -19.043 9.070 1.00 0.00 C ATOM 994 C THR A 63 -25.100 -19.464 7.930 1.00 0.00 C ATOM 995 O THR A 63 -24.769 -18.662 7.057 1.00 0.00 O ATOM 996 CB THR A 63 -27.405 -19.685 8.861 1.00 0.00 C ATOM 997 OG1 THR A 63 -27.275 -21.107 8.761 1.00 0.00 O ATOM 998 CG2 THR A 63 -28.069 -19.141 7.606 1.00 0.00 C ATOM 0 H THR A 63 -26.732 -17.165 8.469 1.00 0.00 H new ATOM 0 HA THR A 63 -25.605 -19.392 10.016 1.00 0.00 H new ATOM 0 HB THR A 63 -28.030 -19.438 9.719 1.00 0.00 H new ATOM 0 HG1 THR A 63 -28.160 -21.508 8.630 1.00 0.00 H new ATOM 0 HG21 THR A 63 -29.045 -19.609 7.479 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.193 -18.062 7.698 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.446 -19.362 6.740 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.690 -20.729 7.943 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.809 -21.258 6.909 1.00 0.00 C ATOM 1008 C VAL A 64 -24.402 -21.043 5.520 1.00 0.00 C ATOM 1009 O VAL A 64 -23.674 -20.832 4.551 1.00 0.00 O ATOM 1010 CB VAL A 64 -23.542 -22.761 7.114 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -22.581 -23.281 6.056 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -23.001 -23.019 8.512 1.00 0.00 C ATOM 0 H VAL A 64 -24.954 -21.406 8.659 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.867 -20.715 6.987 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.484 -23.298 7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -22.404 -24.344 6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -23.013 -23.130 5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -21.637 -22.741 6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -22.818 -24.086 8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -22.068 -22.472 8.648 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -23.729 -22.685 9.251 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.727 -21.098 5.433 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.416 -20.909 4.162 1.00 0.00 C ATOM 1024 C GLU A 65 -26.242 -19.481 3.655 1.00 0.00 C ATOM 1025 O GLU A 65 -26.090 -19.252 2.455 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.905 -21.231 4.311 1.00 0.00 C ATOM 1027 CG GLU A 65 -28.290 -22.597 3.769 1.00 0.00 C ATOM 1028 CD GLU A 65 -29.719 -22.641 3.262 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -30.595 -22.025 3.904 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -29.960 -23.292 2.224 1.00 0.00 O ATOM 0 H GLU A 65 -26.344 -21.272 6.226 1.00 0.00 H new ATOM 0 HA GLU A 65 -25.975 -21.590 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.176 -21.179 5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.487 -20.467 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -27.612 -22.867 2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -28.163 -23.344 4.553 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.265 -18.525 4.578 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.110 -17.118 4.224 1.00 0.00 C ATOM 1039 C GLN A 66 -24.727 -16.853 3.639 1.00 0.00 C ATOM 1040 O GLN A 66 -24.580 -16.085 2.688 1.00 0.00 O ATOM 1041 CB GLN A 66 -26.337 -16.234 5.451 1.00 0.00 C ATOM 1042 CG GLN A 66 -27.800 -15.908 5.705 1.00 0.00 C ATOM 1043 CD GLN A 66 -27.983 -14.802 6.726 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -28.594 -15.005 7.775 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -27.453 -13.623 6.423 1.00 0.00 N ATOM 0 H GLN A 66 -26.389 -18.698 5.575 1.00 0.00 H new ATOM 0 HA GLN A 66 -26.856 -16.875 3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -25.927 -16.733 6.329 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -25.783 -15.304 5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.271 -15.613 4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.313 -16.805 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -26.954 -13.499 5.542 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -27.544 -12.841 7.071 1.00 0.00 H new ATOM 1054 N LEU A 67 -23.715 -17.493 4.214 1.00 0.00 N ATOM 1055 CA LEU A 67 -22.342 -17.325 3.751 1.00 0.00 C ATOM 1056 C LEU A 67 -22.205 -17.748 2.291 1.00 0.00 C ATOM 1057 O LEU A 67 -21.614 -17.034 1.481 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.385 -18.142 4.622 1.00 0.00 C ATOM 1059 CG LEU A 67 -20.873 -17.450 5.886 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -19.835 -16.396 5.534 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -22.027 -16.829 6.659 1.00 0.00 C ATOM 0 H LEU A 67 -23.819 -18.133 5.001 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.084 -16.269 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -21.889 -19.063 4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -20.526 -18.427 4.015 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.399 -18.199 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.482 -15.914 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -18.995 -16.868 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.283 -15.649 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.644 -16.341 7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -22.530 -16.093 6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -22.735 -17.607 6.944 1.00 0.00 H new ATOM 1073 N MET A 68 -22.757 -18.911 1.963 1.00 0.00 N ATOM 1074 CA MET A 68 -22.699 -19.427 0.600 1.00 0.00 C ATOM 1075 C MET A 68 -23.642 -18.652 -0.314 1.00 0.00 C ATOM 1076 O MET A 68 -23.340 -18.426 -1.487 1.00 0.00 O ATOM 1077 CB MET A 68 -23.056 -20.914 0.579 1.00 0.00 C ATOM 1078 CG MET A 68 -24.456 -21.210 1.093 1.00 0.00 C ATOM 1079 SD MET A 68 -24.876 -22.961 0.995 1.00 0.00 S ATOM 1080 CE MET A 68 -24.047 -23.591 2.452 1.00 0.00 C ATOM 0 H MET A 68 -23.250 -19.514 2.622 1.00 0.00 H new ATOM 0 HA MET A 68 -21.680 -19.301 0.233 1.00 0.00 H new ATOM 0 HB2 MET A 68 -22.966 -21.287 -0.441 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.333 -21.462 1.183 1.00 0.00 H new ATOM 0 HG2 MET A 68 -24.536 -20.878 2.128 1.00 0.00 H new ATOM 0 HG3 MET A 68 -25.180 -20.634 0.517 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.077 -24.681 2.445 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.009 -23.257 2.453 1.00 0.00 H new ATOM 0 HE3 MET A 68 -24.549 -23.219 3.345 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.252 -26.011 1.064 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.200 -25.043 1.352 1.00 0.00 C ATOM 1256 C ASP A 81 -15.503 -23.700 0.695 1.00 0.00 C ATOM 1257 O ASP A 81 -15.862 -23.640 -0.482 1.00 0.00 O ATOM 1258 CB ASP A 81 -13.848 -25.569 0.868 1.00 0.00 C ATOM 1259 CG ASP A 81 -13.483 -26.898 1.500 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -14.183 -27.316 2.445 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.498 -27.519 1.050 1.00 0.00 O ATOM 0 HA ASP A 81 -15.159 -24.897 2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.872 -25.680 -0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.074 -24.837 1.097 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.357 -22.626 1.462 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.615 -21.283 0.954 1.00 0.00 C ATOM 1268 C LEU A 82 -14.774 -20.249 1.696 1.00 0.00 C ATOM 1269 O LEU A 82 -14.740 -20.229 2.926 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.100 -20.942 1.091 1.00 0.00 C ATOM 1271 CG LEU A 82 -17.585 -19.727 0.300 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -17.132 -19.818 -1.149 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -19.101 -19.609 0.380 1.00 0.00 C ATOM 0 H LEU A 82 -15.061 -22.658 2.438 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.338 -21.260 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.682 -21.809 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.318 -20.775 2.146 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.147 -18.832 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.486 -18.945 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.043 -19.854 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -17.541 -20.721 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -19.429 -18.739 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -19.558 -20.507 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -19.403 -19.497 1.421 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.097 -19.391 0.939 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.257 -18.353 1.526 1.00 0.00 C ATOM 1287 C GLU A 83 -13.836 -16.967 1.256 1.00 0.00 C ATOM 1288 O GLU A 83 -14.406 -16.716 0.194 1.00 0.00 O ATOM 1289 CB GLU A 83 -11.835 -18.442 0.969 1.00 0.00 C ATOM 1290 CG GLU A 83 -11.765 -18.318 -0.544 1.00 0.00 C ATOM 1291 CD GLU A 83 -11.888 -16.883 -1.018 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -11.666 -15.966 -0.200 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -12.207 -16.677 -2.208 1.00 0.00 O ATOM 0 H GLU A 83 -14.114 -19.394 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.228 -18.511 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.228 -17.656 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.396 -19.394 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.820 -18.733 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.561 -18.914 -0.991 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.685 -16.070 2.225 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.193 -14.710 2.093 1.00 0.00 C ATOM 1302 C PHE A 84 -13.112 -13.690 2.438 1.00 0.00 C ATOM 1303 O PHE A 84 -12.500 -13.756 3.504 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.409 -14.507 3.000 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.410 -15.624 2.918 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -17.272 -15.721 1.838 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -16.489 -16.576 3.921 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -18.195 -16.748 1.759 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -17.409 -17.605 3.848 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.264 -17.690 2.766 1.00 0.00 C ATOM 0 H PHE A 84 -13.215 -16.261 3.110 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.492 -14.560 1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.071 -14.408 4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -15.899 -13.570 2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -17.223 -14.986 1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -15.824 -16.514 4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -18.861 -16.813 0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -17.459 -18.342 4.636 1.00 0.00 H new ATOM 0 HZ PHE A 84 -18.985 -18.492 2.708 1.00 0.00 H new ATOM 1320 N GLU A 85 -12.883 -12.748 1.528 1.00 0.00 N ATOM 1321 CA GLU A 85 -11.875 -11.715 1.735 1.00 0.00 C ATOM 1322 C GLU A 85 -12.524 -10.395 2.140 1.00 0.00 C ATOM 1323 O GLU A 85 -11.931 -9.595 2.864 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.044 -11.520 0.465 1.00 0.00 C ATOM 1325 CG GLU A 85 -9.952 -10.473 0.608 1.00 0.00 C ATOM 1326 CD GLU A 85 -9.387 -10.035 -0.729 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -9.520 -10.799 -1.708 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -8.812 -8.928 -0.797 1.00 0.00 O ATOM 0 H GLU A 85 -13.382 -12.679 0.641 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.219 -12.040 2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.590 -12.471 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.706 -11.233 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.352 -9.605 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.148 -10.874 1.225 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.746 -10.174 1.667 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.477 -8.951 1.979 1.00 0.00 C ATOM 1337 C ASP A 86 -15.982 -9.195 1.945 1.00 0.00 C ATOM 1338 O ASP A 86 -16.590 -9.241 0.875 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.105 -7.843 0.992 1.00 0.00 C ATOM 1340 CG ASP A 86 -12.673 -7.374 1.161 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -12.400 -6.642 2.136 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -11.826 -7.738 0.319 1.00 0.00 O ATOM 0 H ASP A 86 -14.251 -10.826 1.066 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.200 -8.638 2.986 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.248 -8.204 -0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.780 -6.998 1.128 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.578 -9.351 3.123 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.012 -9.590 3.228 1.00 0.00 C ATOM 1349 C ILE A 87 -18.801 -8.552 2.437 1.00 0.00 C ATOM 1350 O ILE A 87 -18.522 -7.354 2.485 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.481 -9.566 4.695 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -18.037 -8.269 5.374 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -17.939 -10.775 5.443 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -16.870 -8.451 6.319 1.00 0.00 C ATOM 0 H ILE A 87 -16.090 -9.316 4.018 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.198 -10.580 2.812 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.570 -9.609 4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.764 -7.542 4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.879 -7.850 5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.279 -10.745 6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.300 -11.688 4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -16.849 -10.760 5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -16.609 -7.491 6.764 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -17.145 -9.153 7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -16.013 -8.840 5.769 1.00 0.00 H new ATOM 1366 N PRO A 88 -19.813 -9.020 1.692 1.00 0.00 N ATOM 1367 CA PRO A 88 -20.666 -8.149 0.878 1.00 0.00 C ATOM 1368 C PRO A 88 -21.572 -7.266 1.729 1.00 0.00 C ATOM 1369 O PRO A 88 -21.400 -7.172 2.944 1.00 0.00 O ATOM 1370 CB PRO A 88 -21.500 -9.136 0.057 1.00 0.00 C ATOM 1371 CG PRO A 88 -21.526 -10.382 0.874 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.203 -10.436 1.587 1.00 0.00 C ATOM 0 HA PRO A 88 -20.081 -7.457 0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.507 -8.755 -0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.053 -9.313 -0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.352 -10.366 1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.666 -11.260 0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.294 -10.901 2.568 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -19.468 -11.015 1.027 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.537 -6.620 1.083 1.00 0.00 N ATOM 1381 CA ASP A 89 -23.471 -5.745 1.781 1.00 0.00 C ATOM 1382 C ASP A 89 -24.653 -6.539 2.330 1.00 0.00 C ATOM 1383 O ASP A 89 -25.262 -6.154 3.328 1.00 0.00 O ATOM 1384 CB ASP A 89 -23.972 -4.645 0.843 1.00 0.00 C ATOM 1385 CG ASP A 89 -24.807 -3.605 1.563 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -25.888 -3.963 2.076 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -24.379 -2.434 1.616 1.00 0.00 O ATOM 0 H ASP A 89 -22.692 -6.686 0.077 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.944 -5.286 2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.119 -4.158 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -24.564 -5.094 0.046 1.00 0.00 H new ATOM 1392 N SER A 90 -24.971 -7.648 1.671 1.00 0.00 N ATOM 1393 CA SER A 90 -26.083 -8.494 2.090 1.00 0.00 C ATOM 1394 C SER A 90 -25.895 -8.965 3.529 1.00 0.00 C ATOM 1395 O SER A 90 -26.866 -9.211 4.246 1.00 0.00 O ATOM 1396 CB SER A 90 -26.212 -9.701 1.159 1.00 0.00 C ATOM 1397 OG SER A 90 -26.653 -9.307 -0.129 1.00 0.00 O ATOM 0 H SER A 90 -24.475 -7.982 0.845 1.00 0.00 H new ATOM 0 HA SER A 90 -26.997 -7.903 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 90 -25.250 -10.207 1.078 1.00 0.00 H new ATOM 0 HB3 SER A 90 -26.914 -10.418 1.584 1.00 0.00 H new ATOM 0 HG SER A 90 -26.726 -10.096 -0.705 1.00 0.00 H new ATOM 1403 N LEU A 91 -24.639 -9.087 3.945 1.00 0.00 N ATOM 1404 CA LEU A 91 -24.322 -9.529 5.299 1.00 0.00 C ATOM 1405 C LEU A 91 -24.656 -8.444 6.318 1.00 0.00 C ATOM 1406 O LEU A 91 -25.478 -8.649 7.212 1.00 0.00 O ATOM 1407 CB LEU A 91 -22.842 -9.901 5.401 1.00 0.00 C ATOM 1408 CG LEU A 91 -22.344 -10.952 4.407 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -21.153 -11.705 4.979 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -23.464 -11.916 4.045 1.00 0.00 C ATOM 0 H LEU A 91 -23.824 -8.886 3.365 1.00 0.00 H new ATOM 0 HA LEU A 91 -24.928 -10.408 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -22.250 -8.995 5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -22.648 -10.264 6.410 1.00 0.00 H new ATOM 0 HG LEU A 91 -22.023 -10.443 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -20.812 -12.448 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -20.345 -11.004 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -21.447 -12.203 5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -23.092 -12.657 3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -23.816 -12.419 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -24.288 -11.364 3.593 1.00 0.00 H new