USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 LYS NZ :NH3+ 139:sc= -0.16 (180deg=-1.81!) USER MOD Single : A 16 ASN : amide:sc= -0.278 K(o=-0.28,f=-6.3!) USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 19 GLN : amide:sc=-0.00178 K(o=-0.0018,f=-3.2) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.41 K(o=-1.4,f=-5!) USER MOD Single : A 26 SER OG : rot 53:sc= -0.0295 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 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 36 THR OG1 : rot -13:sc= 0.664 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.82 X(o=-0.82,f=-0.85) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -103:sc= 1.96 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -11.860 -4.202 -0.569 1.00 0.00 N ATOM 117 CA LEU A 9 -11.489 -2.876 -0.086 1.00 0.00 C ATOM 118 C LEU A 9 -10.666 -2.131 -1.131 1.00 0.00 C ATOM 119 O LEU A 9 -9.640 -2.626 -1.596 1.00 0.00 O ATOM 120 CB LEU A 9 -10.700 -2.994 1.224 1.00 0.00 C ATOM 121 CG LEU A 9 -10.546 -1.693 2.020 1.00 0.00 C ATOM 122 CD1 LEU A 9 -10.280 -1.996 3.487 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.423 -0.840 1.448 1.00 0.00 C ATOM 0 HA LEU A 9 -12.401 -2.309 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.191 -3.732 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.706 -3.380 0.996 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.478 -1.134 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.173 -1.062 4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.113 -2.566 3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.363 -2.578 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.332 0.078 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.485 -1.394 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.646 -0.593 0.410 1.00 0.00 H new ATOM 135 N VAL A 10 -11.121 -0.935 -1.493 1.00 0.00 N ATOM 136 CA VAL A 10 -10.423 -0.116 -2.478 1.00 0.00 C ATOM 137 C VAL A 10 -9.663 1.013 -1.794 1.00 0.00 C ATOM 138 O VAL A 10 -10.180 1.657 -0.881 1.00 0.00 O ATOM 139 CB VAL A 10 -11.397 0.487 -3.510 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.634 1.231 -4.596 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.274 -0.599 -4.116 1.00 0.00 C ATOM 0 H VAL A 10 -11.970 -0.512 -1.119 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.723 -0.770 -2.999 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.042 1.200 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.339 1.649 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.054 2.037 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.962 0.541 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.955 -0.154 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.646 -1.338 -4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.850 -1.083 -3.328 1.00 0.00 H new ATOM 151 N VAL A 11 -8.432 1.247 -2.236 1.00 0.00 N ATOM 152 CA VAL A 11 -7.602 2.292 -1.652 1.00 0.00 C ATOM 153 C VAL A 11 -6.990 3.188 -2.730 1.00 0.00 C ATOM 154 O VAL A 11 -6.745 2.745 -3.853 1.00 0.00 O ATOM 155 CB VAL A 11 -6.476 1.683 -0.792 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.456 0.964 -1.662 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.809 2.753 0.055 1.00 0.00 C ATOM 0 H VAL A 11 -7.989 0.728 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.249 2.900 -1.019 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.921 0.948 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.672 0.543 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.948 0.162 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.016 1.670 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.018 2.302 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.382 3.517 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.548 3.209 0.714 1.00 0.00 H new ATOM 167 N ARG A 12 -6.752 4.451 -2.380 1.00 0.00 N ATOM 168 CA ARG A 12 -6.165 5.409 -3.312 1.00 0.00 C ATOM 169 C ARG A 12 -4.889 6.014 -2.735 1.00 0.00 C ATOM 170 O ARG A 12 -4.868 6.470 -1.591 1.00 0.00 O ATOM 171 CB ARG A 12 -7.163 6.521 -3.641 1.00 0.00 C ATOM 172 CG ARG A 12 -6.641 7.526 -4.656 1.00 0.00 C ATOM 173 CD ARG A 12 -7.668 8.610 -4.945 1.00 0.00 C ATOM 174 NE ARG A 12 -7.972 9.407 -3.760 1.00 0.00 N ATOM 175 CZ ARG A 12 -8.562 10.598 -3.803 1.00 0.00 C ATOM 176 NH1 ARG A 12 -8.912 11.126 -4.968 1.00 0.00 N ATOM 177 NH2 ARG A 12 -8.804 11.262 -2.681 1.00 0.00 N ATOM 0 H ARG A 12 -6.957 4.834 -1.457 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.916 4.875 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.080 6.073 -4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.424 7.047 -2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.725 7.982 -4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.384 7.010 -5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.294 9.262 -5.734 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.584 8.151 -5.318 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.717 9.029 -2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.729 10.618 -5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.364 12.040 -4.998 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.537 10.859 -1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.257 12.175 -2.716 1.00 0.00 H new ATOM 191 N ALA A 13 -3.829 6.011 -3.536 1.00 0.00 N ATOM 192 CA ALA A 13 -2.542 6.556 -3.114 1.00 0.00 C ATOM 193 C ALA A 13 -2.648 8.036 -2.766 1.00 0.00 C ATOM 194 O ALA A 13 -3.324 8.801 -3.453 1.00 0.00 O ATOM 195 CB ALA A 13 -1.505 6.345 -4.204 1.00 0.00 C ATOM 0 H ALA A 13 -3.835 5.636 -4.485 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.231 6.025 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.548 6.755 -3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.395 5.278 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.826 6.850 -5.115 1.00 0.00 H new ATOM 201 N LYS A 14 -1.970 8.433 -1.692 1.00 0.00 N ATOM 202 CA LYS A 14 -1.981 9.822 -1.248 1.00 0.00 C ATOM 203 C LYS A 14 -0.735 10.561 -1.728 1.00 0.00 C ATOM 204 O LYS A 14 -0.826 11.505 -2.514 1.00 0.00 O ATOM 205 CB LYS A 14 -2.070 9.890 0.276 1.00 0.00 C ATOM 206 CG LYS A 14 -3.312 9.218 0.840 1.00 0.00 C ATOM 207 CD LYS A 14 -3.385 9.355 2.353 1.00 0.00 C ATOM 208 CE LYS A 14 -3.573 10.803 2.775 1.00 0.00 C ATOM 209 NZ LYS A 14 -4.804 11.397 2.188 1.00 0.00 N ATOM 0 H LYS A 14 -1.406 7.811 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.856 10.306 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.185 9.420 0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.059 10.935 0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.201 9.660 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.310 8.162 0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.211 8.754 2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.472 8.961 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.625 10.860 3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.706 11.387 2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.281 11.983 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.549 11.987 1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.444 10.637 1.881 1.00 0.00 H new ATOM 223 N PHE A 15 0.427 10.126 -1.248 1.00 0.00 N ATOM 224 CA PHE A 15 1.693 10.749 -1.621 1.00 0.00 C ATOM 225 C PHE A 15 2.422 9.921 -2.675 1.00 0.00 C ATOM 226 O PHE A 15 2.148 8.732 -2.842 1.00 0.00 O ATOM 227 CB PHE A 15 2.580 10.919 -0.386 1.00 0.00 C ATOM 228 CG PHE A 15 1.877 11.557 0.779 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.518 12.896 0.741 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.574 10.818 1.912 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.870 13.484 1.810 1.00 0.00 C ATOM 232 CE2 PHE A 15 0.925 11.402 2.984 1.00 0.00 C ATOM 233 CZ PHE A 15 0.574 12.737 2.933 1.00 0.00 C ATOM 0 H PHE A 15 0.518 9.344 -0.599 1.00 0.00 H new ATOM 0 HA PHE A 15 1.476 11.729 -2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.955 9.942 -0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.446 11.525 -0.652 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.748 13.486 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.848 9.774 1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.595 14.528 1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.693 10.815 3.860 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.069 13.196 3.770 1.00 0.00 H new ATOM 243 N ASN A 16 3.352 10.557 -3.382 1.00 0.00 N ATOM 244 CA ASN A 16 4.125 9.880 -4.419 1.00 0.00 C ATOM 245 C ASN A 16 5.192 8.978 -3.803 1.00 0.00 C ATOM 246 O ASN A 16 6.195 9.454 -3.271 1.00 0.00 O ATOM 247 CB ASN A 16 4.774 10.903 -5.356 1.00 0.00 C ATOM 248 CG ASN A 16 5.680 11.877 -4.625 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.451 12.204 -3.461 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.717 12.345 -5.308 1.00 0.00 N ATOM 0 H ASN A 16 3.589 11.541 -3.256 1.00 0.00 H new ATOM 0 HA ASN A 16 3.442 9.257 -4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.351 10.377 -6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.994 11.459 -5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.362 13.003 -4.869 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.869 12.047 -6.272 1.00 0.00 H new ATOM 257 N PHE A 17 4.964 7.670 -3.877 1.00 0.00 N ATOM 258 CA PHE A 17 5.896 6.693 -3.325 1.00 0.00 C ATOM 259 C PHE A 17 6.844 6.170 -4.403 1.00 0.00 C ATOM 260 O PHE A 17 6.514 6.176 -5.589 1.00 0.00 O ATOM 261 CB PHE A 17 5.117 5.530 -2.705 1.00 0.00 C ATOM 262 CG PHE A 17 5.870 4.797 -1.631 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.763 3.789 -1.953 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.676 5.116 -0.297 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.451 3.112 -0.964 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.360 4.443 0.697 1.00 0.00 C ATOM 267 CZ PHE A 17 7.249 3.439 0.364 1.00 0.00 C ATOM 0 H PHE A 17 4.139 7.261 -4.316 1.00 0.00 H new ATOM 0 HA PHE A 17 6.493 7.183 -2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.186 5.912 -2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.848 4.825 -3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.924 3.529 -2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.982 5.900 -0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.146 2.328 -1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.200 4.701 1.733 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.785 2.911 1.139 1.00 0.00 H new ATOM 277 N GLN A 18 8.022 5.716 -3.982 1.00 0.00 N ATOM 278 CA GLN A 18 9.016 5.184 -4.910 1.00 0.00 C ATOM 279 C GLN A 18 9.452 3.780 -4.496 1.00 0.00 C ATOM 280 O GLN A 18 9.560 3.480 -3.308 1.00 0.00 O ATOM 281 CB GLN A 18 10.235 6.109 -4.976 1.00 0.00 C ATOM 282 CG GLN A 18 10.958 6.262 -3.646 1.00 0.00 C ATOM 283 CD GLN A 18 12.225 7.091 -3.758 1.00 0.00 C ATOM 284 OE1 GLN A 18 12.232 8.045 -4.682 1.00 0.00 O flip ATOM 285 NE2 GLN A 18 13.185 6.878 -3.018 1.00 0.00 N flip ATOM 0 H GLN A 18 8.311 5.706 -3.004 1.00 0.00 H new ATOM 0 HA GLN A 18 8.558 5.128 -5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.934 5.722 -5.717 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.916 7.092 -5.321 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.287 6.728 -2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.208 5.275 -3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.137 6.134 -2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.029 7.445 -3.101 1.00 0.00 H new ATOM 294 N GLN A 19 9.700 2.924 -5.485 1.00 0.00 N ATOM 295 CA GLN A 19 10.124 1.552 -5.220 1.00 0.00 C ATOM 296 C GLN A 19 11.591 1.355 -5.587 1.00 0.00 C ATOM 297 O GLN A 19 12.196 2.200 -6.246 1.00 0.00 O ATOM 298 CB GLN A 19 9.255 0.562 -6.003 1.00 0.00 C ATOM 299 CG GLN A 19 9.411 0.674 -7.512 1.00 0.00 C ATOM 300 CD GLN A 19 8.510 -0.287 -8.266 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.426 -0.635 -7.799 1.00 0.00 O ATOM 302 NE2 GLN A 19 8.957 -0.721 -9.439 1.00 0.00 N ATOM 0 H GLN A 19 9.615 3.156 -6.475 1.00 0.00 H new ATOM 0 HA GLN A 19 10.004 1.364 -4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.507 -0.453 -5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.209 0.724 -5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.187 1.695 -7.822 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.449 0.480 -7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.862 -0.406 -9.788 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.395 -1.369 -9.991 1.00 0.00 H new ATOM 311 N THR A 20 12.157 0.233 -5.154 1.00 0.00 N ATOM 312 CA THR A 20 13.552 -0.081 -5.439 1.00 0.00 C ATOM 313 C THR A 20 13.656 -1.228 -6.435 1.00 0.00 C ATOM 314 O THR A 20 14.604 -1.304 -7.216 1.00 0.00 O ATOM 315 CB THR A 20 14.315 -0.457 -4.156 1.00 0.00 C ATOM 316 OG1 THR A 20 13.741 -1.630 -3.568 1.00 0.00 O ATOM 317 CG2 THR A 20 14.282 0.684 -3.151 1.00 0.00 C ATOM 0 H THR A 20 11.670 -0.475 -4.604 1.00 0.00 H new ATOM 0 HA THR A 20 14.002 0.814 -5.868 1.00 0.00 H new ATOM 0 HB THR A 20 15.353 -0.655 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.234 -1.862 -2.754 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.828 0.394 -2.253 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.747 1.568 -3.588 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.248 0.909 -2.890 1.00 0.00 H new ATOM 325 N ASN A 21 12.670 -2.119 -6.398 1.00 0.00 N ATOM 326 CA ASN A 21 12.637 -3.266 -7.295 1.00 0.00 C ATOM 327 C ASN A 21 11.197 -3.715 -7.532 1.00 0.00 C ATOM 328 O ASN A 21 10.274 -3.232 -6.878 1.00 0.00 O ATOM 329 CB ASN A 21 13.460 -4.417 -6.711 1.00 0.00 C ATOM 330 CG ASN A 21 13.670 -5.546 -7.700 1.00 0.00 C ATOM 331 OD1 ASN A 21 12.887 -6.496 -7.754 1.00 0.00 O ATOM 332 ND2 ASN A 21 14.731 -5.448 -8.493 1.00 0.00 N ATOM 0 H ASN A 21 11.881 -2.067 -5.753 1.00 0.00 H new ATOM 0 HA ASN A 21 13.071 -2.973 -8.251 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.429 -4.038 -6.388 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.958 -4.804 -5.825 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.923 -6.177 -9.180 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.354 -4.644 -8.415 1.00 0.00 H new ATOM 339 N GLU A 22 11.014 -4.639 -8.470 1.00 0.00 N ATOM 340 CA GLU A 22 9.685 -5.149 -8.793 1.00 0.00 C ATOM 341 C GLU A 22 9.034 -5.807 -7.580 1.00 0.00 C ATOM 342 O GLU A 22 7.810 -5.913 -7.507 1.00 0.00 O ATOM 343 CB GLU A 22 9.767 -6.148 -9.948 1.00 0.00 C ATOM 344 CG GLU A 22 10.235 -5.531 -11.255 1.00 0.00 C ATOM 345 CD GLU A 22 9.283 -4.469 -11.771 1.00 0.00 C ATOM 346 OE1 GLU A 22 8.346 -4.824 -12.517 1.00 0.00 O ATOM 347 OE2 GLU A 22 9.473 -3.283 -11.427 1.00 0.00 O ATOM 0 H GLU A 22 11.768 -5.050 -9.020 1.00 0.00 H new ATOM 0 HA GLU A 22 9.067 -4.303 -9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.447 -6.954 -9.672 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.785 -6.597 -10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.222 -5.091 -11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.341 -6.315 -12.005 1.00 0.00 H new ATOM 354 N ASP A 23 9.858 -6.247 -6.632 1.00 0.00 N ATOM 355 CA ASP A 23 9.355 -6.894 -5.424 1.00 0.00 C ATOM 356 C ASP A 23 8.388 -5.977 -4.681 1.00 0.00 C ATOM 357 O ASP A 23 7.381 -6.431 -4.137 1.00 0.00 O ATOM 358 CB ASP A 23 10.514 -7.282 -4.503 1.00 0.00 C ATOM 359 CG ASP A 23 10.054 -8.085 -3.301 1.00 0.00 C ATOM 360 OD1 ASP A 23 9.844 -9.307 -3.449 1.00 0.00 O ATOM 361 OD2 ASP A 23 9.905 -7.491 -2.213 1.00 0.00 O ATOM 0 H ASP A 23 10.874 -6.167 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 23 8.821 -7.796 -5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.244 -7.863 -5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.021 -6.379 -4.161 1.00 0.00 H new ATOM 366 N GLU A 24 8.704 -4.686 -4.664 1.00 0.00 N ATOM 367 CA GLU A 24 7.864 -3.700 -3.993 1.00 0.00 C ATOM 368 C GLU A 24 6.942 -3.009 -4.994 1.00 0.00 C ATOM 369 O GLU A 24 7.300 -2.831 -6.158 1.00 0.00 O ATOM 370 CB GLU A 24 8.734 -2.665 -3.276 1.00 0.00 C ATOM 371 CG GLU A 24 7.941 -1.663 -2.452 1.00 0.00 C ATOM 372 CD GLU A 24 8.829 -0.658 -1.743 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.281 -0.955 -0.618 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.072 0.426 -2.314 1.00 0.00 O ATOM 0 H GLU A 24 9.536 -4.298 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 24 7.249 -4.216 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.436 -3.184 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.325 -2.126 -4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.246 -1.133 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.343 -2.198 -1.714 1.00 0.00 H new ATOM 381 N LEU A 25 5.758 -2.620 -4.534 1.00 0.00 N ATOM 382 CA LEU A 25 4.786 -1.956 -5.396 1.00 0.00 C ATOM 383 C LEU A 25 4.840 -0.442 -5.221 1.00 0.00 C ATOM 384 O LEU A 25 4.647 0.074 -4.120 1.00 0.00 O ATOM 385 CB LEU A 25 3.373 -2.473 -5.094 1.00 0.00 C ATOM 386 CG LEU A 25 2.279 -2.013 -6.065 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.138 -3.017 -6.093 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.756 -0.636 -5.677 1.00 0.00 C ATOM 0 H LEU A 25 5.448 -2.752 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 25 5.037 -2.186 -6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.397 -3.563 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.097 -2.158 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 25 2.715 -1.948 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.370 -2.676 -6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.515 -3.987 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.710 -3.109 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.981 -0.330 -6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.339 -0.676 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.574 0.084 -5.703 1.00 0.00 H new ATOM 400 N SER A 26 5.106 0.263 -6.317 1.00 0.00 N ATOM 401 CA SER A 26 5.169 1.719 -6.295 1.00 0.00 C ATOM 402 C SER A 26 3.820 2.310 -6.686 1.00 0.00 C ATOM 403 O SER A 26 2.998 1.637 -7.309 1.00 0.00 O ATOM 404 CB SER A 26 6.255 2.223 -7.246 1.00 0.00 C ATOM 405 OG SER A 26 6.281 3.639 -7.288 1.00 0.00 O ATOM 0 H SER A 26 5.281 -0.152 -7.232 1.00 0.00 H new ATOM 0 HA SER A 26 5.416 2.038 -5.282 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.227 1.848 -6.924 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.077 1.830 -8.247 1.00 0.00 H new ATOM 0 HG SER A 26 6.350 3.992 -6.376 1.00 0.00 H new ATOM 411 N PHE A 27 3.595 3.567 -6.325 1.00 0.00 N ATOM 412 CA PHE A 27 2.336 4.227 -6.641 1.00 0.00 C ATOM 413 C PHE A 27 2.448 5.739 -6.489 1.00 0.00 C ATOM 414 O PHE A 27 3.244 6.237 -5.695 1.00 0.00 O ATOM 415 CB PHE A 27 1.222 3.695 -5.735 1.00 0.00 C ATOM 416 CG PHE A 27 1.583 3.695 -4.275 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.397 4.828 -3.500 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.111 2.561 -3.680 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.728 4.830 -2.159 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.445 2.557 -2.339 1.00 0.00 C ATOM 421 CZ PHE A 27 2.253 3.692 -1.577 1.00 0.00 C ATOM 0 H PHE A 27 4.263 4.146 -5.817 1.00 0.00 H new ATOM 0 HA PHE A 27 2.095 4.008 -7.681 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.327 4.300 -5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.972 2.679 -6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.988 5.721 -3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.263 1.670 -4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.577 5.720 -1.566 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.856 1.666 -1.887 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.512 3.691 -0.529 1.00 0.00 H new ATOM 431 N SER A 28 1.644 6.458 -7.262 1.00 0.00 N ATOM 432 CA SER A 28 1.633 7.914 -7.216 1.00 0.00 C ATOM 433 C SER A 28 0.219 8.420 -6.960 1.00 0.00 C ATOM 434 O SER A 28 -0.755 7.755 -7.308 1.00 0.00 O ATOM 435 CB SER A 28 2.170 8.495 -8.526 1.00 0.00 C ATOM 436 OG SER A 28 2.146 9.912 -8.503 1.00 0.00 O ATOM 0 H SER A 28 0.988 6.054 -7.931 1.00 0.00 H new ATOM 0 HA SER A 28 2.279 8.240 -6.401 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.190 8.148 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.571 8.131 -9.361 1.00 0.00 H new ATOM 0 HG SER A 28 2.496 10.259 -9.350 1.00 0.00 H new ATOM 442 N LYS A 29 0.116 9.592 -6.336 1.00 0.00 N ATOM 443 CA LYS A 29 -1.181 10.194 -6.030 1.00 0.00 C ATOM 444 C LYS A 29 -2.140 10.080 -7.212 1.00 0.00 C ATOM 445 O LYS A 29 -2.055 10.851 -8.168 1.00 0.00 O ATOM 446 CB LYS A 29 -1.002 11.663 -5.641 1.00 0.00 C ATOM 447 CG LYS A 29 -2.297 12.351 -5.241 1.00 0.00 C ATOM 448 CD LYS A 29 -2.057 13.795 -4.832 1.00 0.00 C ATOM 449 CE LYS A 29 -3.358 14.500 -4.482 1.00 0.00 C ATOM 450 NZ LYS A 29 -3.132 15.915 -4.076 1.00 0.00 N ATOM 0 H LYS A 29 0.917 10.145 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.613 9.649 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.296 11.727 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.559 12.200 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.999 12.320 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.758 11.809 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.384 13.824 -3.975 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.561 14.327 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.029 14.472 -5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.854 13.965 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.043 16.360 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.513 15.942 -3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.682 16.433 -4.858 1.00 0.00 H new ATOM 464 N GLY A 30 -3.047 9.108 -7.142 1.00 0.00 N ATOM 465 CA GLY A 30 -4.010 8.913 -8.213 1.00 0.00 C ATOM 466 C GLY A 30 -4.245 7.448 -8.532 1.00 0.00 C ATOM 467 O GLY A 30 -5.389 7.012 -8.660 1.00 0.00 O ATOM 0 H GLY A 30 -3.132 8.453 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.956 9.376 -7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.658 9.424 -9.109 1.00 0.00 H new ATOM 471 N ASP A 31 -3.161 6.688 -8.664 1.00 0.00 N ATOM 472 CA ASP A 31 -3.254 5.265 -8.974 1.00 0.00 C ATOM 473 C ASP A 31 -4.063 4.521 -7.916 1.00 0.00 C ATOM 474 O ASP A 31 -3.758 4.587 -6.725 1.00 0.00 O ATOM 475 CB ASP A 31 -1.856 4.654 -9.085 1.00 0.00 C ATOM 476 CG ASP A 31 -1.049 5.257 -10.219 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.356 6.268 -9.982 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.111 4.718 -11.343 1.00 0.00 O ATOM 0 H ASP A 31 -2.207 7.035 -8.561 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.767 5.164 -9.930 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.323 4.801 -8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.944 3.578 -9.237 1.00 0.00 H new ATOM 483 N VAL A 32 -5.096 3.814 -8.363 1.00 0.00 N ATOM 484 CA VAL A 32 -5.953 3.050 -7.463 1.00 0.00 C ATOM 485 C VAL A 32 -5.443 1.622 -7.311 1.00 0.00 C ATOM 486 O VAL A 32 -5.136 0.955 -8.299 1.00 0.00 O ATOM 487 CB VAL A 32 -7.408 3.016 -7.969 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.315 2.339 -6.952 1.00 0.00 C ATOM 489 CG2 VAL A 32 -7.899 4.421 -8.280 1.00 0.00 C ATOM 0 H VAL A 32 -5.361 3.754 -9.346 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.928 3.549 -6.494 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.437 2.433 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.338 2.325 -7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.976 1.316 -6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.282 2.889 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.928 4.376 -8.636 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.853 5.030 -7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.268 4.865 -9.050 1.00 0.00 H new ATOM 499 N ILE A 33 -5.359 1.155 -6.069 1.00 0.00 N ATOM 500 CA ILE A 33 -4.877 -0.194 -5.793 1.00 0.00 C ATOM 501 C ILE A 33 -5.958 -1.044 -5.131 1.00 0.00 C ATOM 502 O ILE A 33 -6.691 -0.571 -4.262 1.00 0.00 O ATOM 503 CB ILE A 33 -3.630 -0.168 -4.888 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.555 0.740 -5.491 1.00 0.00 C ATOM 505 CG2 ILE A 33 -3.090 -1.577 -4.686 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.387 0.995 -4.563 1.00 0.00 C ATOM 0 H ILE A 33 -5.618 1.689 -5.240 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.612 -0.638 -6.753 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.914 0.233 -3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.185 0.289 -6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.007 1.694 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.209 -1.541 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.855 -2.196 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.818 -2.004 -5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.665 1.646 -5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.744 1.475 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.909 0.048 -4.311 1.00 0.00 H new ATOM 518 N HIS A 34 -6.049 -2.302 -5.553 1.00 0.00 N ATOM 519 CA HIS A 34 -7.033 -3.230 -5.005 1.00 0.00 C ATOM 520 C HIS A 34 -6.429 -4.051 -3.869 1.00 0.00 C ATOM 521 O HIS A 34 -5.459 -4.783 -4.066 1.00 0.00 O ATOM 522 CB HIS A 34 -7.551 -4.160 -6.103 1.00 0.00 C ATOM 523 CG HIS A 34 -8.345 -3.454 -7.160 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.831 -3.129 -8.398 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.626 -3.016 -7.160 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.760 -2.519 -9.111 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.859 -2.439 -8.384 1.00 0.00 N ATOM 0 H HIS A 34 -5.451 -2.703 -6.275 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.865 -2.649 -4.608 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.705 -4.663 -6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.171 -4.934 -5.650 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.333 -3.104 -6.348 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.641 -2.148 -10.118 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.738 -2.017 -8.683 1.00 0.00 H new ATOM 536 N VAL A 35 -7.011 -3.924 -2.680 1.00 0.00 N ATOM 537 CA VAL A 35 -6.530 -4.650 -1.509 1.00 0.00 C ATOM 538 C VAL A 35 -6.923 -6.124 -1.561 1.00 0.00 C ATOM 539 O VAL A 35 -8.105 -6.465 -1.512 1.00 0.00 O ATOM 540 CB VAL A 35 -7.069 -4.029 -0.205 1.00 0.00 C ATOM 541 CG1 VAL A 35 -6.617 -4.834 1.005 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.626 -2.580 -0.083 1.00 0.00 C ATOM 0 H VAL A 35 -7.817 -3.325 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.443 -4.574 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.158 -4.054 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.009 -4.377 1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.990 -5.855 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.528 -4.847 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.015 -2.157 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.537 -2.532 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.007 -2.010 -0.930 1.00 0.00 H new ATOM 552 N THR A 36 -5.922 -6.993 -1.650 1.00 0.00 N ATOM 553 CA THR A 36 -6.154 -8.431 -1.700 1.00 0.00 C ATOM 554 C THR A 36 -5.676 -9.097 -0.415 1.00 0.00 C ATOM 555 O THR A 36 -5.981 -10.260 -0.152 1.00 0.00 O ATOM 556 CB THR A 36 -5.438 -9.077 -2.901 1.00 0.00 C ATOM 557 OG1 THR A 36 -4.030 -8.829 -2.826 1.00 0.00 O ATOM 558 CG2 THR A 36 -5.983 -8.533 -4.214 1.00 0.00 C ATOM 0 H THR A 36 -4.939 -6.725 -1.689 1.00 0.00 H new ATOM 0 HA THR A 36 -7.228 -8.580 -1.812 1.00 0.00 H new ATOM 0 HB THR A 36 -5.620 -10.151 -2.867 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.855 -8.136 -2.155 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.462 -9.004 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.049 -8.750 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.829 -7.455 -4.253 1.00 0.00 H new ATOM 566 N ARG A 37 -4.924 -8.344 0.381 1.00 0.00 N ATOM 567 CA ARG A 37 -4.399 -8.843 1.647 1.00 0.00 C ATOM 568 C ARG A 37 -4.214 -7.689 2.629 1.00 0.00 C ATOM 569 O ARG A 37 -3.233 -6.949 2.551 1.00 0.00 O ATOM 570 CB ARG A 37 -3.069 -9.566 1.422 1.00 0.00 C ATOM 571 CG ARG A 37 -2.603 -10.380 2.618 1.00 0.00 C ATOM 572 CD ARG A 37 -1.306 -11.115 2.316 1.00 0.00 C ATOM 573 NE ARG A 37 -0.940 -12.047 3.381 1.00 0.00 N ATOM 574 CZ ARG A 37 0.042 -12.938 3.274 1.00 0.00 C ATOM 575 NH1 ARG A 37 0.756 -13.015 2.160 1.00 0.00 N ATOM 576 NH2 ARG A 37 0.311 -13.754 4.285 1.00 0.00 N ATOM 0 H ARG A 37 -4.663 -7.381 0.170 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.113 -9.551 2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.167 -10.227 0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.304 -8.830 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.459 -9.722 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.375 -11.099 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.409 -11.660 1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.503 -10.391 2.177 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.466 -12.012 4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.553 -12.389 1.380 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.508 -13.700 2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.235 -13.698 5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.064 -14.437 4.203 1.00 0.00 H new ATOM 590 N VAL A 38 -5.163 -7.542 3.548 1.00 0.00 N ATOM 591 CA VAL A 38 -5.112 -6.467 4.534 1.00 0.00 C ATOM 592 C VAL A 38 -4.804 -6.997 5.933 1.00 0.00 C ATOM 593 O VAL A 38 -5.666 -7.570 6.601 1.00 0.00 O ATOM 594 CB VAL A 38 -6.437 -5.670 4.555 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.632 -6.606 4.470 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.529 -4.793 5.797 1.00 0.00 C ATOM 0 H VAL A 38 -5.976 -8.153 3.631 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.302 -5.801 4.236 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.449 -5.019 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.553 -6.023 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.581 -7.178 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.620 -7.289 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.471 -4.244 5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.484 -5.419 6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.698 -4.088 5.807 1.00 0.00 H new ATOM 650 N TRP A 43 1.140 -2.567 6.542 1.00 0.00 N ATOM 651 CA TRP A 43 1.626 -3.123 5.285 1.00 0.00 C ATOM 652 C TRP A 43 0.648 -4.116 4.674 1.00 0.00 C ATOM 653 O TRP A 43 0.333 -5.146 5.270 1.00 0.00 O ATOM 654 CB TRP A 43 2.981 -3.794 5.490 1.00 0.00 C ATOM 655 CG TRP A 43 4.127 -2.856 5.294 1.00 0.00 C ATOM 656 CD1 TRP A 43 4.919 -2.312 6.262 1.00 0.00 C ATOM 657 CD2 TRP A 43 4.602 -2.342 4.046 1.00 0.00 C ATOM 658 NE1 TRP A 43 5.865 -1.495 5.692 1.00 0.00 N ATOM 659 CE2 TRP A 43 5.691 -1.497 4.332 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.212 -2.519 2.713 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.395 -0.828 3.335 1.00 0.00 C ATOM 662 CZ3 TRP A 43 4.916 -1.854 1.725 1.00 0.00 C ATOM 663 CH2 TRP A 43 5.996 -1.019 2.040 1.00 0.00 C ATOM 0 HA TRP A 43 1.729 -2.291 4.588 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.026 -4.211 6.496 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.077 -4.628 4.795 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.817 -2.496 7.321 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.580 -0.972 6.198 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.380 -3.160 2.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.226 -0.181 3.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.628 -1.981 0.692 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.525 -0.516 1.244 1.00 0.00 H new ATOM 674 N TRP A 44 0.178 -3.790 3.475 1.00 0.00 N ATOM 675 CA TRP A 44 -0.750 -4.647 2.751 1.00 0.00 C ATOM 676 C TRP A 44 -0.149 -5.051 1.407 1.00 0.00 C ATOM 677 O TRP A 44 0.952 -4.630 1.057 1.00 0.00 O ATOM 678 CB TRP A 44 -2.084 -3.929 2.519 1.00 0.00 C ATOM 679 CG TRP A 44 -2.749 -3.434 3.772 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.531 -3.860 5.051 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.758 -2.421 3.855 1.00 0.00 C ATOM 682 NE1 TRP A 44 -3.335 -3.166 5.923 1.00 0.00 N ATOM 683 CE2 TRP A 44 -4.099 -2.279 5.213 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.404 -1.618 2.910 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -5.056 -1.366 5.648 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.355 -0.714 3.344 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.673 -0.594 4.702 1.00 0.00 C ATOM 0 H TRP A 44 0.427 -2.932 2.982 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.931 -5.538 3.352 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.916 -3.083 1.853 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.764 -4.609 2.006 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.829 -4.630 5.336 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.359 -3.291 6.935 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.164 -1.703 1.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.303 -1.271 6.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.862 -0.089 2.623 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.421 0.122 5.009 1.00 0.00 H new ATOM 698 N GLU A 45 -0.876 -5.873 0.665 1.00 0.00 N ATOM 699 CA GLU A 45 -0.427 -6.328 -0.648 1.00 0.00 C ATOM 700 C GLU A 45 -1.557 -6.206 -1.668 1.00 0.00 C ATOM 701 O GLU A 45 -2.577 -6.886 -1.560 1.00 0.00 O ATOM 702 CB GLU A 45 0.064 -7.776 -0.573 1.00 0.00 C ATOM 703 CG GLU A 45 0.515 -8.341 -1.911 1.00 0.00 C ATOM 704 CD GLU A 45 1.092 -9.737 -1.788 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.308 -10.686 -1.575 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.326 -9.883 -1.907 1.00 0.00 O ATOM 0 H GLU A 45 -1.784 -6.241 0.949 1.00 0.00 H new ATOM 0 HA GLU A 45 0.402 -5.696 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.893 -7.833 0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.736 -8.401 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.332 -8.361 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.263 -7.679 -2.347 1.00 0.00 H new ATOM 713 N GLY A 46 -1.367 -5.338 -2.657 1.00 0.00 N ATOM 714 CA GLY A 46 -2.385 -5.139 -3.674 1.00 0.00 C ATOM 715 C GLY A 46 -1.852 -5.326 -5.081 1.00 0.00 C ATOM 716 O GLY A 46 -0.712 -5.750 -5.270 1.00 0.00 O ATOM 0 H GLY A 46 -0.528 -4.770 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.204 -5.838 -3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.798 -4.135 -3.577 1.00 0.00 H new ATOM 720 N THR A 47 -2.683 -5.009 -6.071 1.00 0.00 N ATOM 721 CA THR A 47 -2.296 -5.146 -7.469 1.00 0.00 C ATOM 722 C THR A 47 -2.531 -3.849 -8.239 1.00 0.00 C ATOM 723 O THR A 47 -3.465 -3.101 -7.948 1.00 0.00 O ATOM 724 CB THR A 47 -3.071 -6.288 -8.154 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.823 -7.524 -7.474 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.670 -6.423 -9.617 1.00 0.00 C ATOM 0 H THR A 47 -3.629 -4.655 -5.929 1.00 0.00 H new ATOM 0 HA THR A 47 -1.231 -5.380 -7.481 1.00 0.00 H new ATOM 0 HB THR A 47 -4.134 -6.050 -8.107 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.320 -8.245 -7.914 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.233 -7.236 -10.075 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.886 -5.492 -10.141 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.603 -6.637 -9.684 1.00 0.00 H new ATOM 734 N LEU A 48 -1.672 -3.593 -9.220 1.00 0.00 N ATOM 735 CA LEU A 48 -1.773 -2.394 -10.042 1.00 0.00 C ATOM 736 C LEU A 48 -1.226 -2.662 -11.443 1.00 0.00 C ATOM 737 O LEU A 48 -0.511 -3.640 -11.660 1.00 0.00 O ATOM 738 CB LEU A 48 -1.017 -1.234 -9.388 1.00 0.00 C ATOM 739 CG LEU A 48 -1.188 0.127 -10.069 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.653 0.536 -10.097 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.356 1.184 -9.358 1.00 0.00 C ATOM 0 H LEU A 48 -0.894 -4.205 -9.466 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.824 -2.119 -10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.345 -1.147 -8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.045 -1.480 -9.367 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.837 0.041 -11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.751 1.506 -10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.228 -0.208 -10.649 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.031 0.603 -9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.488 2.146 -9.854 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.679 1.264 -8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.696 0.901 -9.390 1.00 0.00 H new ATOM 753 N ASN A 49 -1.573 -1.795 -12.388 1.00 0.00 N ATOM 754 CA ASN A 49 -1.120 -1.945 -13.768 1.00 0.00 C ATOM 755 C ASN A 49 0.404 -1.998 -13.852 1.00 0.00 C ATOM 756 O ASN A 49 1.088 -0.999 -13.627 1.00 0.00 O ATOM 757 CB ASN A 49 -1.656 -0.800 -14.630 1.00 0.00 C ATOM 758 CG ASN A 49 -1.376 0.563 -14.028 1.00 0.00 C ATOM 759 OD1 ASN A 49 -2.152 1.067 -13.216 1.00 0.00 O ATOM 760 ND2 ASN A 49 -0.266 1.173 -14.430 1.00 0.00 N ATOM 0 H ASN A 49 -2.166 -0.981 -12.225 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.510 -2.890 -14.146 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.206 -0.855 -15.621 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.731 -0.921 -14.761 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.029 2.095 -14.064 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.350 0.719 -15.105 1.00 0.00 H new ATOM 767 N GLY A 50 0.928 -3.179 -14.173 1.00 0.00 N ATOM 768 CA GLY A 50 2.365 -3.354 -14.291 1.00 0.00 C ATOM 769 C GLY A 50 3.095 -3.159 -12.975 1.00 0.00 C ATOM 770 O GLY A 50 4.324 -3.093 -12.947 1.00 0.00 O ATOM 0 H GLY A 50 0.380 -4.020 -14.354 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.574 -4.354 -14.672 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.753 -2.647 -15.024 1.00 0.00 H new ATOM 774 N ARG A 51 2.340 -3.064 -11.887 1.00 0.00 N ATOM 775 CA ARG A 51 2.924 -2.879 -10.563 1.00 0.00 C ATOM 776 C ARG A 51 2.282 -3.818 -9.546 1.00 0.00 C ATOM 777 O ARG A 51 1.090 -3.712 -9.256 1.00 0.00 O ATOM 778 CB ARG A 51 2.763 -1.425 -10.112 1.00 0.00 C ATOM 779 CG ARG A 51 3.595 -0.442 -10.919 1.00 0.00 C ATOM 780 CD ARG A 51 3.284 0.997 -10.540 1.00 0.00 C ATOM 781 NE ARG A 51 4.143 1.947 -11.242 1.00 0.00 N ATOM 782 CZ ARG A 51 4.218 3.240 -10.937 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.483 3.736 -9.950 1.00 0.00 N ATOM 784 NH2 ARG A 51 5.028 4.037 -11.619 1.00 0.00 N ATOM 0 H ARG A 51 1.321 -3.112 -11.895 1.00 0.00 H new ATOM 0 HA ARG A 51 3.986 -3.117 -10.624 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.712 -1.145 -10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.041 -1.346 -9.061 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.654 -0.641 -10.756 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.403 -0.589 -11.982 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.241 1.214 -10.769 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.408 1.123 -9.464 1.00 0.00 H new ATOM 0 HE ARG A 51 4.718 1.600 -12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.858 3.126 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.543 4.728 -9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.595 3.659 -12.378 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.085 5.028 -11.384 1.00 0.00 H new ATOM 798 N THR A 52 3.079 -4.736 -9.007 1.00 0.00 N ATOM 799 CA THR A 52 2.589 -5.693 -8.021 1.00 0.00 C ATOM 800 C THR A 52 3.544 -5.793 -6.836 1.00 0.00 C ATOM 801 O THR A 52 4.762 -5.725 -7.000 1.00 0.00 O ATOM 802 CB THR A 52 2.408 -7.096 -8.636 1.00 0.00 C ATOM 803 OG1 THR A 52 1.584 -7.018 -9.804 1.00 0.00 O ATOM 804 CG2 THR A 52 1.779 -8.051 -7.630 1.00 0.00 C ATOM 0 H THR A 52 4.068 -4.837 -9.237 1.00 0.00 H new ATOM 0 HA THR A 52 1.621 -5.327 -7.680 1.00 0.00 H new ATOM 0 HB THR A 52 3.392 -7.477 -8.911 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.476 -7.913 -10.188 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.661 -9.034 -8.086 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.422 -8.132 -6.754 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.803 -7.671 -7.329 1.00 0.00 H new ATOM 812 N GLY A 53 2.979 -5.954 -5.644 1.00 0.00 N ATOM 813 CA GLY A 53 3.792 -6.059 -4.447 1.00 0.00 C ATOM 814 C GLY A 53 3.117 -5.446 -3.237 1.00 0.00 C ATOM 815 O GLY A 53 1.927 -5.133 -3.274 1.00 0.00 O ATOM 0 H GLY A 53 1.973 -6.014 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.007 -7.109 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.749 -5.565 -4.616 1.00 0.00 H new ATOM 819 N TRP A 54 3.879 -5.276 -2.164 1.00 0.00 N ATOM 820 CA TRP A 54 3.350 -4.697 -0.936 1.00 0.00 C ATOM 821 C TRP A 54 3.300 -3.176 -1.028 1.00 0.00 C ATOM 822 O TRP A 54 4.041 -2.565 -1.797 1.00 0.00 O ATOM 823 CB TRP A 54 4.206 -5.118 0.261 1.00 0.00 C ATOM 824 CG TRP A 54 4.319 -6.604 0.416 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.215 -7.428 -0.203 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.509 -7.443 1.248 1.00 0.00 C ATOM 827 NE1 TRP A 54 5.009 -8.729 0.190 1.00 0.00 N ATOM 828 CE2 TRP A 54 3.967 -8.764 1.081 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.441 -7.206 2.118 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.393 -9.842 1.751 1.00 0.00 C ATOM 831 CZ3 TRP A 54 1.872 -8.276 2.782 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.349 -9.579 2.596 1.00 0.00 C ATOM 0 H TRP A 54 4.866 -5.531 -2.119 1.00 0.00 H new ATOM 0 HA TRP A 54 2.335 -5.068 -0.798 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.204 -4.694 0.152 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.778 -4.696 1.171 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.974 -7.105 -0.900 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.544 -9.537 -0.129 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.067 -6.204 2.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.758 -10.848 1.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.046 -8.104 3.456 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.883 -10.394 3.131 1.00 0.00 H new ATOM 843 N PHE A 55 2.421 -2.570 -0.235 1.00 0.00 N ATOM 844 CA PHE A 55 2.276 -1.120 -0.217 1.00 0.00 C ATOM 845 C PHE A 55 1.845 -0.645 1.172 1.00 0.00 C ATOM 846 O PHE A 55 1.003 -1.274 1.812 1.00 0.00 O ATOM 847 CB PHE A 55 1.262 -0.664 -1.273 1.00 0.00 C ATOM 848 CG PHE A 55 -0.153 -1.088 -0.988 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.583 -2.369 -1.293 1.00 0.00 C ATOM 850 CD2 PHE A 55 -1.052 -0.201 -0.418 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.884 -2.757 -1.034 1.00 0.00 C ATOM 852 CE2 PHE A 55 -2.354 -0.582 -0.158 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.771 -1.863 -0.466 1.00 0.00 C ATOM 0 H PHE A 55 1.798 -3.063 0.404 1.00 0.00 H new ATOM 0 HA PHE A 55 3.243 -0.676 -0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.296 0.423 -1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.561 -1.061 -2.243 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.106 -3.072 -1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.731 0.801 -0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.207 -3.759 -1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.045 0.120 0.285 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.788 -2.165 -0.263 1.00 0.00 H new ATOM 863 N PRO A 56 2.425 0.468 1.662 1.00 0.00 N ATOM 864 CA PRO A 56 2.093 1.014 2.984 1.00 0.00 C ATOM 865 C PRO A 56 0.593 1.206 3.174 1.00 0.00 C ATOM 866 O PRO A 56 -0.167 1.217 2.207 1.00 0.00 O ATOM 867 CB PRO A 56 2.813 2.364 3.005 1.00 0.00 C ATOM 868 CG PRO A 56 3.941 2.206 2.046 1.00 0.00 C ATOM 869 CD PRO A 56 3.444 1.283 0.970 1.00 0.00 C ATOM 0 HA PRO A 56 2.396 0.343 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.147 3.173 2.703 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.174 2.605 4.005 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.236 3.169 1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.819 1.791 2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.016 1.835 0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.247 0.666 0.568 1.00 0.00 H new ATOM 877 N SER A 57 0.175 1.357 4.427 1.00 0.00 N ATOM 878 CA SER A 57 -1.235 1.552 4.747 1.00 0.00 C ATOM 879 C SER A 57 -1.469 2.950 5.304 1.00 0.00 C ATOM 880 O SER A 57 -2.562 3.502 5.184 1.00 0.00 O ATOM 881 CB SER A 57 -1.702 0.502 5.756 1.00 0.00 C ATOM 882 OG SER A 57 -1.433 -0.809 5.291 1.00 0.00 O ATOM 0 H SER A 57 0.793 1.348 5.238 1.00 0.00 H new ATOM 0 HA SER A 57 -1.813 1.441 3.829 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.201 0.662 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.771 0.615 5.935 1.00 0.00 H new ATOM 0 HG SER A 57 -2.262 -1.217 4.964 1.00 0.00 H new ATOM 888 N ASN A 58 -0.433 3.514 5.915 1.00 0.00 N ATOM 889 CA ASN A 58 -0.520 4.853 6.489 1.00 0.00 C ATOM 890 C ASN A 58 -0.303 5.923 5.421 1.00 0.00 C ATOM 891 O ASN A 58 -0.627 7.092 5.627 1.00 0.00 O ATOM 892 CB ASN A 58 0.509 5.019 7.609 1.00 0.00 C ATOM 893 CG ASN A 58 0.265 4.070 8.766 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.770 2.948 8.779 1.00 0.00 O ATOM 895 ND2 ASN A 58 -0.513 4.517 9.745 1.00 0.00 N ATOM 0 H ASN A 58 0.476 3.066 6.026 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.521 4.977 6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.508 4.849 7.208 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.482 6.046 7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.713 3.923 10.549 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.911 5.455 9.693 1.00 0.00 H new ATOM 902 N TYR A 59 0.248 5.515 4.280 1.00 0.00 N ATOM 903 CA TYR A 59 0.500 6.440 3.178 1.00 0.00 C ATOM 904 C TYR A 59 -0.667 6.434 2.194 1.00 0.00 C ATOM 905 O TYR A 59 -0.738 7.267 1.292 1.00 0.00 O ATOM 906 CB TYR A 59 1.799 6.070 2.457 1.00 0.00 C ATOM 907 CG TYR A 59 2.888 7.110 2.597 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.303 7.546 3.849 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.499 7.657 1.476 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.296 8.497 3.980 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.495 8.607 1.599 1.00 0.00 C ATOM 912 CZ TYR A 59 4.889 9.024 2.854 1.00 0.00 C ATOM 913 OH TYR A 59 5.880 9.971 2.982 1.00 0.00 O ATOM 0 H TYR A 59 0.528 4.552 4.095 1.00 0.00 H new ATOM 0 HA TYR A 59 0.601 7.444 3.590 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.163 5.120 2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.587 5.919 1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.842 7.135 4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.191 7.335 0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.606 8.826 4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.962 9.021 0.718 1.00 0.00 H new ATOM 0 HH TYR A 59 6.194 10.238 2.093 1.00 0.00 H new ATOM 923 N VAL A 60 -1.577 5.483 2.381 1.00 0.00 N ATOM 924 CA VAL A 60 -2.749 5.357 1.524 1.00 0.00 C ATOM 925 C VAL A 60 -4.028 5.350 2.359 1.00 0.00 C ATOM 926 O VAL A 60 -3.995 5.044 3.551 1.00 0.00 O ATOM 927 CB VAL A 60 -2.684 4.073 0.675 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.518 4.134 -0.298 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.575 2.846 1.568 1.00 0.00 C ATOM 0 H VAL A 60 -1.524 4.785 3.123 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.759 6.218 0.855 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.606 3.995 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.489 3.218 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.642 4.990 -0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.586 4.238 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.530 1.949 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.671 2.915 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.446 2.793 2.222 1.00 0.00 H new ATOM 939 N ARG A 61 -5.152 5.690 1.734 1.00 0.00 N ATOM 940 CA ARG A 61 -6.434 5.721 2.434 1.00 0.00 C ATOM 941 C ARG A 61 -7.549 5.134 1.576 1.00 0.00 C ATOM 942 O ARG A 61 -7.581 5.330 0.362 1.00 0.00 O ATOM 943 CB ARG A 61 -6.788 7.153 2.840 1.00 0.00 C ATOM 944 CG ARG A 61 -6.074 7.620 4.096 1.00 0.00 C ATOM 945 CD ARG A 61 -6.482 9.035 4.478 1.00 0.00 C ATOM 946 NE ARG A 61 -5.891 9.451 5.747 1.00 0.00 N ATOM 947 CZ ARG A 61 -6.309 10.503 6.445 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.313 11.245 5.997 1.00 0.00 N ATOM 949 NH2 ARG A 61 -5.724 10.812 7.594 1.00 0.00 N ATOM 0 H ARG A 61 -5.202 5.947 0.748 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.335 5.109 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.541 7.827 2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.864 7.222 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.300 6.941 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.996 7.581 3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.176 9.725 3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.568 9.093 4.548 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.114 8.904 6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.767 11.009 5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.631 12.051 6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.953 10.243 7.943 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.045 11.619 8.129 1.00 0.00 H new ATOM 963 N GLU A 62 -8.460 4.410 2.223 1.00 0.00 N ATOM 964 CA GLU A 62 -9.584 3.787 1.533 1.00 0.00 C ATOM 965 C GLU A 62 -10.367 4.817 0.724 1.00 0.00 C ATOM 966 O GLU A 62 -10.856 5.807 1.269 1.00 0.00 O ATOM 967 CB GLU A 62 -10.509 3.103 2.541 1.00 0.00 C ATOM 968 CG GLU A 62 -11.716 2.432 1.907 1.00 0.00 C ATOM 969 CD GLU A 62 -12.614 1.764 2.930 1.00 0.00 C ATOM 970 OE1 GLU A 62 -13.501 2.452 3.478 1.00 0.00 O ATOM 971 OE2 GLU A 62 -12.431 0.555 3.184 1.00 0.00 O ATOM 0 H GLU A 62 -8.440 4.241 3.229 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.188 3.039 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.939 2.357 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.854 3.842 3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.291 3.174 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.377 1.689 1.186 1.00 0.00 H new ATOM 978 N VAL A 63 -10.480 4.576 -0.577 1.00 0.00 N ATOM 979 CA VAL A 63 -11.203 5.481 -1.461 1.00 0.00 C ATOM 980 C VAL A 63 -12.560 4.907 -1.860 1.00 0.00 C ATOM 981 O VAL A 63 -12.657 3.762 -2.304 1.00 0.00 O ATOM 982 CB VAL A 63 -10.385 5.789 -2.731 1.00 0.00 C ATOM 983 CG1 VAL A 63 -10.022 4.506 -3.465 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.146 6.737 -3.646 1.00 0.00 C ATOM 0 H VAL A 63 -10.080 3.761 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.363 6.406 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.460 6.279 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.445 4.748 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.428 3.868 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.933 3.981 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.550 6.941 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.091 6.280 -3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.343 7.671 -3.120 1.00 0.00 H new