USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=11 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 Set 1.1: A 16 ASN : amide:sc= -0.0159 X(o=0.095,f=0.0058) USER MOD Set 1.2: A 28 SER OG : rot 106:sc= 0.111 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.204 F(o=-1.1,f=-0.2) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.816 K(o=-0.82,f=-2.5) USER MOD Single : A 26 SER OG : rot 48:sc= 0.0513 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) USER MOD Single : A 36 THR OG1 : rot -25:sc= 0.664 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.228 F(o=-0.92,f=-0.23) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.0137 F(o=-1.2!,f=-0.014) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -11.805 -4.072 -0.204 1.00 0.00 N ATOM 117 CA LEU A 9 -11.273 -2.809 0.300 1.00 0.00 C ATOM 118 C LEU A 9 -10.453 -2.097 -0.771 1.00 0.00 C ATOM 119 O LEU A 9 -9.435 -2.612 -1.231 1.00 0.00 O ATOM 120 CB LEU A 9 -10.407 -3.067 1.540 1.00 0.00 C ATOM 121 CG LEU A 9 -10.090 -1.835 2.397 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.619 -2.261 3.780 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.037 -0.961 1.730 1.00 0.00 C ATOM 0 HA LEU A 9 -12.110 -2.166 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.912 -3.803 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.467 -3.514 1.217 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.004 -1.250 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.398 -1.377 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.402 -2.842 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.720 -2.870 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.831 -0.095 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.121 -1.536 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.404 -0.626 0.760 1.00 0.00 H new ATOM 135 N VAL A 10 -10.898 -0.906 -1.158 1.00 0.00 N ATOM 136 CA VAL A 10 -10.198 -0.125 -2.170 1.00 0.00 C ATOM 137 C VAL A 10 -9.402 1.003 -1.523 1.00 0.00 C ATOM 138 O VAL A 10 -9.891 1.680 -0.618 1.00 0.00 O ATOM 139 CB VAL A 10 -11.173 0.476 -3.201 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.418 0.992 -4.416 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.219 -0.550 -3.611 1.00 0.00 C ATOM 0 H VAL A 10 -11.738 -0.462 -0.787 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.521 -0.806 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.686 1.318 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.124 1.412 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.713 1.764 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.874 0.170 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.898 -0.106 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.726 -1.415 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.784 -0.865 -2.733 1.00 0.00 H new ATOM 151 N VAL A 11 -8.172 1.199 -1.988 1.00 0.00 N ATOM 152 CA VAL A 11 -7.309 2.241 -1.446 1.00 0.00 C ATOM 153 C VAL A 11 -6.784 3.156 -2.551 1.00 0.00 C ATOM 154 O VAL A 11 -6.681 2.749 -3.709 1.00 0.00 O ATOM 155 CB VAL A 11 -6.120 1.633 -0.672 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.085 1.057 -1.628 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.492 2.668 0.247 1.00 0.00 C ATOM 0 H VAL A 11 -7.752 0.650 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.914 2.832 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.498 0.817 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.258 0.635 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.544 0.276 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.711 1.847 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.656 2.219 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.133 3.510 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.236 3.018 0.963 1.00 0.00 H new ATOM 167 N ARG A 12 -6.460 4.392 -2.185 1.00 0.00 N ATOM 168 CA ARG A 12 -5.946 5.363 -3.145 1.00 0.00 C ATOM 169 C ARG A 12 -4.663 6.012 -2.633 1.00 0.00 C ATOM 170 O ARG A 12 -4.570 6.400 -1.468 1.00 0.00 O ATOM 171 CB ARG A 12 -6.992 6.438 -3.436 1.00 0.00 C ATOM 172 CG ARG A 12 -6.588 7.386 -4.552 1.00 0.00 C ATOM 173 CD ARG A 12 -7.682 8.397 -4.850 1.00 0.00 C ATOM 174 NE ARG A 12 -7.314 9.287 -5.949 1.00 0.00 N ATOM 175 CZ ARG A 12 -8.148 10.163 -6.501 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.396 10.266 -6.064 1.00 0.00 N ATOM 177 NH2 ARG A 12 -7.733 10.937 -7.494 1.00 0.00 N ATOM 0 H ARG A 12 -6.544 4.745 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.720 4.830 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.933 5.956 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.173 7.013 -2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.674 7.910 -4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.365 6.814 -5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.604 7.872 -5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.884 8.987 -3.956 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.363 9.233 -6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.720 9.672 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.032 10.940 -6.491 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.774 10.860 -7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.372 11.609 -7.918 1.00 0.00 H new ATOM 191 N ALA A 13 -3.680 6.123 -3.517 1.00 0.00 N ATOM 192 CA ALA A 13 -2.394 6.718 -3.173 1.00 0.00 C ATOM 193 C ALA A 13 -2.536 8.174 -2.741 1.00 0.00 C ATOM 194 O ALA A 13 -3.252 8.953 -3.370 1.00 0.00 O ATOM 195 CB ALA A 13 -1.447 6.617 -4.356 1.00 0.00 C ATOM 0 H ALA A 13 -3.749 5.807 -4.484 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.988 6.163 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.488 7.063 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.301 5.569 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.872 7.147 -5.209 1.00 0.00 H new ATOM 201 N LYS A 14 -1.846 8.530 -1.662 1.00 0.00 N ATOM 202 CA LYS A 14 -1.871 9.896 -1.150 1.00 0.00 C ATOM 203 C LYS A 14 -0.653 10.669 -1.644 1.00 0.00 C ATOM 204 O LYS A 14 -0.780 11.659 -2.365 1.00 0.00 O ATOM 205 CB LYS A 14 -1.901 9.894 0.380 1.00 0.00 C ATOM 206 CG LYS A 14 -3.134 9.225 0.965 1.00 0.00 C ATOM 207 CD LYS A 14 -3.104 9.229 2.486 1.00 0.00 C ATOM 208 CE LYS A 14 -3.162 10.642 3.048 1.00 0.00 C ATOM 209 NZ LYS A 14 -3.096 10.651 4.535 1.00 0.00 N ATOM 0 H LYS A 14 -1.261 7.890 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.773 10.384 -1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.011 9.385 0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.852 10.923 0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.029 9.741 0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.197 8.198 0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.946 8.651 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.196 8.737 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.336 11.227 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.084 11.125 2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.138 11.632 4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.898 10.114 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.205 10.214 4.846 1.00 0.00 H new ATOM 223 N PHE A 15 0.529 10.205 -1.246 1.00 0.00 N ATOM 224 CA PHE A 15 1.780 10.839 -1.649 1.00 0.00 C ATOM 225 C PHE A 15 2.469 10.017 -2.737 1.00 0.00 C ATOM 226 O PHE A 15 2.143 8.847 -2.939 1.00 0.00 O ATOM 227 CB PHE A 15 2.710 10.992 -0.444 1.00 0.00 C ATOM 228 CG PHE A 15 2.044 11.590 0.765 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.571 12.894 0.739 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.891 10.850 1.927 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.959 13.446 1.848 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.281 11.397 3.039 1.00 0.00 C ATOM 233 CZ PHE A 15 0.814 12.697 2.999 1.00 0.00 C ATOM 0 H PHE A 15 0.646 9.390 -0.643 1.00 0.00 H new ATOM 0 HA PHE A 15 1.552 11.828 -2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.111 10.013 -0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.557 11.617 -0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.682 13.484 -0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.253 9.833 1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.594 14.462 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.169 10.810 3.938 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.336 13.127 3.867 1.00 0.00 H new ATOM 243 N ASN A 16 3.419 10.632 -3.435 1.00 0.00 N ATOM 244 CA ASN A 16 4.148 9.948 -4.500 1.00 0.00 C ATOM 245 C ASN A 16 5.188 8.992 -3.921 1.00 0.00 C ATOM 246 O ASN A 16 6.207 9.422 -3.378 1.00 0.00 O ATOM 247 CB ASN A 16 4.824 10.965 -5.421 1.00 0.00 C ATOM 248 CG ASN A 16 5.510 10.309 -6.603 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.913 10.137 -7.666 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.772 9.936 -6.422 1.00 0.00 N ATOM 0 H ASN A 16 3.702 11.600 -3.284 1.00 0.00 H new ATOM 0 HA ASN A 16 3.432 9.366 -5.081 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.079 11.673 -5.784 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.556 11.537 -4.851 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.285 9.488 -7.181 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.228 10.098 -5.524 1.00 0.00 H new ATOM 257 N PHE A 17 4.923 7.695 -4.043 1.00 0.00 N ATOM 258 CA PHE A 17 5.831 6.672 -3.530 1.00 0.00 C ATOM 259 C PHE A 17 6.763 6.167 -4.628 1.00 0.00 C ATOM 260 O PHE A 17 6.354 6.010 -5.778 1.00 0.00 O ATOM 261 CB PHE A 17 5.032 5.505 -2.946 1.00 0.00 C ATOM 262 CG PHE A 17 5.835 4.613 -2.042 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.640 3.613 -2.564 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.783 4.777 -0.667 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.378 2.792 -1.731 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.518 3.959 0.170 1.00 0.00 C ATOM 267 CZ PHE A 17 7.316 2.966 -0.363 1.00 0.00 C ATOM 0 H PHE A 17 4.086 7.326 -4.493 1.00 0.00 H new ATOM 0 HA PHE A 17 6.439 7.121 -2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.183 5.901 -2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.627 4.909 -3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.692 3.473 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.161 5.553 -0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.002 2.016 -2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.468 4.096 1.240 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.891 2.326 0.290 1.00 0.00 H new ATOM 277 N GLN A 18 8.018 5.914 -4.263 1.00 0.00 N ATOM 278 CA GLN A 18 9.007 5.422 -5.216 1.00 0.00 C ATOM 279 C GLN A 18 9.433 3.999 -4.867 1.00 0.00 C ATOM 280 O GLN A 18 9.615 3.666 -3.696 1.00 0.00 O ATOM 281 CB GLN A 18 10.228 6.346 -5.242 1.00 0.00 C ATOM 282 CG GLN A 18 10.977 6.409 -3.920 1.00 0.00 C ATOM 283 CD GLN A 18 12.076 7.455 -3.924 1.00 0.00 C ATOM 284 OE1 GLN A 18 11.970 8.479 -4.599 1.00 0.00 O ATOM 285 NE2 GLN A 18 13.139 7.200 -3.172 1.00 0.00 N ATOM 0 H GLN A 18 8.373 6.042 -3.315 1.00 0.00 H new ATOM 0 HA GLN A 18 8.551 5.413 -6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.912 6.008 -6.021 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.906 7.351 -5.515 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.273 6.629 -3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.410 5.432 -3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.184 6.338 -2.629 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.911 7.866 -3.137 1.00 0.00 H new ATOM 294 N GLN A 19 9.591 3.161 -5.889 1.00 0.00 N ATOM 295 CA GLN A 19 9.990 1.772 -5.682 1.00 0.00 C ATOM 296 C GLN A 19 11.490 1.590 -5.892 1.00 0.00 C ATOM 297 O GLN A 19 12.210 2.547 -6.178 1.00 0.00 O ATOM 298 CB GLN A 19 9.219 0.849 -6.629 1.00 0.00 C ATOM 299 CG GLN A 19 9.516 1.096 -8.100 1.00 0.00 C ATOM 300 CD GLN A 19 8.654 0.257 -9.027 1.00 0.00 C ATOM 301 OE1 GLN A 19 8.281 -0.939 -8.579 1.00 0.00 O flip ATOM 302 NE2 GLN A 19 8.328 0.676 -10.138 1.00 0.00 N flip ATOM 0 H GLN A 19 9.449 3.419 -6.866 1.00 0.00 H new ATOM 0 HA GLN A 19 9.753 1.509 -4.651 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.459 -0.187 -6.388 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.150 0.977 -6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.361 2.151 -8.324 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.566 0.880 -8.294 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.634 1.599 -10.445 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.751 0.100 -10.751 1.00 0.00 H new ATOM 311 N THR A 20 11.950 0.351 -5.744 1.00 0.00 N ATOM 312 CA THR A 20 13.362 0.027 -5.918 1.00 0.00 C ATOM 313 C THR A 20 13.527 -1.278 -6.689 1.00 0.00 C ATOM 314 O THR A 20 14.586 -1.547 -7.256 1.00 0.00 O ATOM 315 CB THR A 20 14.085 -0.096 -4.564 1.00 0.00 C ATOM 316 OG1 THR A 20 13.470 -1.119 -3.771 1.00 0.00 O ATOM 317 CG2 THR A 20 14.055 1.225 -3.809 1.00 0.00 C ATOM 0 H THR A 20 11.363 -0.448 -5.503 1.00 0.00 H new ATOM 0 HA THR A 20 13.809 0.845 -6.483 1.00 0.00 H new ATOM 0 HB THR A 20 15.125 -0.361 -4.757 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.937 -1.192 -2.912 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.572 1.111 -2.856 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.551 1.994 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.021 1.517 -3.628 1.00 0.00 H new ATOM 325 N ASN A 21 12.465 -2.080 -6.708 1.00 0.00 N ATOM 326 CA ASN A 21 12.476 -3.363 -7.405 1.00 0.00 C ATOM 327 C ASN A 21 11.078 -3.711 -7.911 1.00 0.00 C ATOM 328 O ASN A 21 10.155 -2.904 -7.807 1.00 0.00 O ATOM 329 CB ASN A 21 12.978 -4.471 -6.474 1.00 0.00 C ATOM 330 CG ASN A 21 14.468 -4.378 -6.203 1.00 0.00 C ATOM 331 OD1 ASN A 21 15.249 -4.002 -7.077 1.00 0.00 O ATOM 332 ND2 ASN A 21 14.869 -4.724 -4.986 1.00 0.00 N ATOM 0 H ASN A 21 11.582 -1.862 -6.246 1.00 0.00 H new ATOM 0 HA ASN A 21 13.150 -3.281 -8.258 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.437 -4.419 -5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.753 -5.441 -6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.859 -4.684 -4.745 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.187 -5.030 -4.292 1.00 0.00 H new ATOM 339 N GLU A 22 10.928 -4.914 -8.455 1.00 0.00 N ATOM 340 CA GLU A 22 9.639 -5.361 -8.975 1.00 0.00 C ATOM 341 C GLU A 22 8.795 -5.989 -7.868 1.00 0.00 C ATOM 342 O GLU A 22 7.565 -5.959 -7.923 1.00 0.00 O ATOM 343 CB GLU A 22 9.840 -6.366 -10.112 1.00 0.00 C ATOM 344 CG GLU A 22 8.543 -6.809 -10.768 1.00 0.00 C ATOM 345 CD GLU A 22 8.767 -7.786 -11.904 1.00 0.00 C ATOM 346 OE1 GLU A 22 8.943 -7.330 -13.054 1.00 0.00 O ATOM 347 OE2 GLU A 22 8.768 -9.008 -11.646 1.00 0.00 O ATOM 0 H GLU A 22 11.681 -5.596 -8.548 1.00 0.00 H new ATOM 0 HA GLU A 22 9.111 -4.490 -9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.487 -5.922 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.359 -7.242 -9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.901 -7.271 -10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.014 -5.934 -11.146 1.00 0.00 H new ATOM 354 N ASP A 23 9.460 -6.557 -6.864 1.00 0.00 N ATOM 355 CA ASP A 23 8.763 -7.186 -5.747 1.00 0.00 C ATOM 356 C ASP A 23 7.923 -6.161 -4.990 1.00 0.00 C ATOM 357 O ASP A 23 7.017 -6.519 -4.237 1.00 0.00 O ATOM 358 CB ASP A 23 9.759 -7.852 -4.796 1.00 0.00 C ATOM 359 CG ASP A 23 10.740 -6.865 -4.197 1.00 0.00 C ATOM 360 OD1 ASP A 23 10.372 -6.179 -3.220 1.00 0.00 O ATOM 361 OD2 ASP A 23 11.878 -6.776 -4.706 1.00 0.00 O ATOM 0 H ASP A 23 10.477 -6.594 -6.802 1.00 0.00 H new ATOM 0 HA ASP A 23 8.100 -7.951 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.213 -8.349 -3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.309 -8.624 -5.334 1.00 0.00 H new ATOM 366 N GLU A 24 8.232 -4.885 -5.197 1.00 0.00 N ATOM 367 CA GLU A 24 7.504 -3.804 -4.544 1.00 0.00 C ATOM 368 C GLU A 24 6.425 -3.262 -5.479 1.00 0.00 C ATOM 369 O GLU A 24 6.090 -3.895 -6.480 1.00 0.00 O ATOM 370 CB GLU A 24 8.469 -2.685 -4.140 1.00 0.00 C ATOM 371 CG GLU A 24 8.022 -1.901 -2.915 1.00 0.00 C ATOM 372 CD GLU A 24 7.945 -2.760 -1.669 1.00 0.00 C ATOM 373 OE1 GLU A 24 6.889 -3.390 -1.446 1.00 0.00 O ATOM 374 OE2 GLU A 24 8.940 -2.803 -0.914 1.00 0.00 O ATOM 0 H GLU A 24 8.983 -4.574 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 24 7.026 -4.192 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.450 -3.117 -3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.584 -1.997 -4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.715 -1.078 -2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.045 -1.459 -3.108 1.00 0.00 H new ATOM 381 N LEU A 25 5.884 -2.093 -5.155 1.00 0.00 N ATOM 382 CA LEU A 25 4.844 -1.485 -5.977 1.00 0.00 C ATOM 383 C LEU A 25 4.906 0.037 -5.893 1.00 0.00 C ATOM 384 O LEU A 25 4.753 0.616 -4.817 1.00 0.00 O ATOM 385 CB LEU A 25 3.464 -1.985 -5.531 1.00 0.00 C ATOM 386 CG LEU A 25 2.328 -1.784 -6.540 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.163 -2.707 -6.218 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.860 -0.336 -6.547 1.00 0.00 C ATOM 0 H LEU A 25 6.147 -1.549 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 25 5.010 -1.776 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.539 -3.048 -5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.196 -1.478 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 25 2.709 -2.029 -7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.365 -2.552 -6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.497 -3.744 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.791 -2.488 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.054 -0.218 -7.271 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.500 -0.065 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.691 0.314 -6.821 1.00 0.00 H new ATOM 400 N SER A 26 5.135 0.678 -7.036 1.00 0.00 N ATOM 401 CA SER A 26 5.206 2.134 -7.093 1.00 0.00 C ATOM 402 C SER A 26 3.837 2.716 -7.409 1.00 0.00 C ATOM 403 O SER A 26 3.035 2.094 -8.106 1.00 0.00 O ATOM 404 CB SER A 26 6.221 2.582 -8.146 1.00 0.00 C ATOM 405 OG SER A 26 6.224 3.992 -8.283 1.00 0.00 O ATOM 0 H SER A 26 5.274 0.213 -7.933 1.00 0.00 H new ATOM 0 HA SER A 26 5.530 2.500 -6.119 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.217 2.239 -7.865 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.983 2.121 -9.105 1.00 0.00 H new ATOM 0 HG SER A 26 6.266 4.407 -7.396 1.00 0.00 H new ATOM 411 N PHE A 27 3.572 3.912 -6.900 1.00 0.00 N ATOM 412 CA PHE A 27 2.287 4.561 -7.124 1.00 0.00 C ATOM 413 C PHE A 27 2.347 6.048 -6.789 1.00 0.00 C ATOM 414 O PHE A 27 3.170 6.481 -5.983 1.00 0.00 O ATOM 415 CB PHE A 27 1.209 3.882 -6.277 1.00 0.00 C ATOM 416 CG PHE A 27 1.597 3.725 -4.833 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.350 4.737 -3.922 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.214 2.566 -4.391 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.709 4.597 -2.594 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.576 2.420 -3.065 1.00 0.00 C ATOM 421 CZ PHE A 27 2.322 3.437 -2.166 1.00 0.00 C ATOM 0 H PHE A 27 4.226 4.450 -6.332 1.00 0.00 H new ATOM 0 HA PHE A 27 2.040 4.463 -8.181 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.289 4.464 -6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.993 2.900 -6.697 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.871 5.647 -4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.414 1.768 -5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.510 5.394 -1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.057 1.512 -2.733 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.603 3.325 -1.129 1.00 0.00 H new ATOM 431 N SER A 28 1.469 6.821 -7.418 1.00 0.00 N ATOM 432 CA SER A 28 1.404 8.259 -7.186 1.00 0.00 C ATOM 433 C SER A 28 -0.038 8.690 -6.940 1.00 0.00 C ATOM 434 O SER A 28 -0.974 7.997 -7.339 1.00 0.00 O ATOM 435 CB SER A 28 1.983 9.021 -8.380 1.00 0.00 C ATOM 436 OG SER A 28 1.921 10.422 -8.170 1.00 0.00 O ATOM 0 H SER A 28 0.790 6.474 -8.095 1.00 0.00 H new ATOM 0 HA SER A 28 1.998 8.493 -6.302 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.018 8.720 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.432 8.761 -9.284 1.00 0.00 H new ATOM 0 HG SER A 28 2.817 10.762 -7.967 1.00 0.00 H new ATOM 442 N LYS A 29 -0.206 9.829 -6.272 1.00 0.00 N ATOM 443 CA LYS A 29 -1.536 10.358 -5.970 1.00 0.00 C ATOM 444 C LYS A 29 -2.461 10.245 -7.181 1.00 0.00 C ATOM 445 O LYS A 29 -2.385 11.052 -8.109 1.00 0.00 O ATOM 446 CB LYS A 29 -1.437 11.819 -5.525 1.00 0.00 C ATOM 447 CG LYS A 29 -2.779 12.446 -5.183 1.00 0.00 C ATOM 448 CD LYS A 29 -2.627 13.911 -4.809 1.00 0.00 C ATOM 449 CE LYS A 29 -3.970 14.547 -4.485 1.00 0.00 C ATOM 450 NZ LYS A 29 -3.831 15.988 -4.138 1.00 0.00 N ATOM 0 H LYS A 29 0.563 10.405 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.958 9.764 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.785 11.881 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.966 12.400 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.453 12.354 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.236 11.903 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.964 14.001 -3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.157 14.450 -5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.637 14.442 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.432 14.016 -3.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.768 16.385 -3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.214 16.087 -3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.413 16.500 -4.941 1.00 0.00 H new ATOM 464 N GLY A 30 -3.333 9.239 -7.166 1.00 0.00 N ATOM 465 CA GLY A 30 -4.256 9.041 -8.268 1.00 0.00 C ATOM 466 C GLY A 30 -4.475 7.575 -8.595 1.00 0.00 C ATOM 467 O GLY A 30 -5.616 7.119 -8.685 1.00 0.00 O ATOM 0 H GLY A 30 -3.416 8.559 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.213 9.501 -8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.875 9.553 -9.152 1.00 0.00 H new ATOM 471 N ASP A 31 -3.383 6.838 -8.774 1.00 0.00 N ATOM 472 CA ASP A 31 -3.463 5.415 -9.096 1.00 0.00 C ATOM 473 C ASP A 31 -4.210 4.648 -8.010 1.00 0.00 C ATOM 474 O ASP A 31 -3.868 4.727 -6.830 1.00 0.00 O ATOM 475 CB ASP A 31 -2.061 4.828 -9.278 1.00 0.00 C ATOM 476 CG ASP A 31 -1.294 5.502 -10.397 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.622 6.520 -10.129 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.363 5.011 -11.544 1.00 0.00 O ATOM 0 H ASP A 31 -2.433 7.201 -8.702 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.015 5.315 -10.030 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.504 4.929 -8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.141 3.761 -9.487 1.00 0.00 H new ATOM 483 N VAL A 32 -5.235 3.907 -8.420 1.00 0.00 N ATOM 484 CA VAL A 32 -6.037 3.121 -7.490 1.00 0.00 C ATOM 485 C VAL A 32 -5.491 1.703 -7.361 1.00 0.00 C ATOM 486 O VAL A 32 -5.333 0.998 -8.357 1.00 0.00 O ATOM 487 CB VAL A 32 -7.510 3.057 -7.935 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.355 2.344 -6.891 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.048 4.455 -8.204 1.00 0.00 C ATOM 0 H VAL A 32 -5.530 3.835 -9.394 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.981 3.618 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.565 2.487 -8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.392 2.309 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.984 1.328 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.296 2.883 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.090 4.390 -8.517 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.979 5.053 -7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.461 4.925 -8.993 1.00 0.00 H new ATOM 499 N ILE A 33 -5.209 1.290 -6.129 1.00 0.00 N ATOM 500 CA ILE A 33 -4.674 -0.045 -5.878 1.00 0.00 C ATOM 501 C ILE A 33 -5.687 -0.921 -5.147 1.00 0.00 C ATOM 502 O ILE A 33 -6.312 -0.489 -4.178 1.00 0.00 O ATOM 503 CB ILE A 33 -3.375 0.019 -5.045 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.337 0.901 -5.742 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.819 -1.379 -4.819 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.135 1.219 -4.878 1.00 0.00 C ATOM 0 H ILE A 33 -5.341 1.857 -5.292 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.456 -0.484 -6.852 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.607 0.459 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.999 0.402 -6.650 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.811 1.834 -6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.904 -1.316 -4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.554 -1.981 -4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.601 -1.844 -5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.441 1.847 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.461 1.746 -3.981 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.636 0.293 -4.593 1.00 0.00 H new ATOM 518 N HIS A 34 -5.849 -2.153 -5.621 1.00 0.00 N ATOM 519 CA HIS A 34 -6.779 -3.093 -5.006 1.00 0.00 C ATOM 520 C HIS A 34 -6.064 -3.962 -3.976 1.00 0.00 C ATOM 521 O HIS A 34 -5.062 -4.607 -4.283 1.00 0.00 O ATOM 522 CB HIS A 34 -7.429 -3.975 -6.072 1.00 0.00 C ATOM 523 CG HIS A 34 -8.334 -3.224 -7.000 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.929 -2.752 -8.230 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.634 -2.867 -6.870 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.941 -2.137 -8.818 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.986 -2.193 -8.014 1.00 0.00 N ATOM 0 H HIS A 34 -5.348 -2.523 -6.429 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.556 -2.520 -4.500 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.647 -4.462 -6.655 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.999 -4.764 -5.581 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.274 -3.074 -6.025 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.917 -1.669 -9.791 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.906 -1.799 -8.210 1.00 0.00 H new ATOM 536 N VAL A 35 -6.588 -3.976 -2.755 1.00 0.00 N ATOM 537 CA VAL A 35 -5.997 -4.757 -1.673 1.00 0.00 C ATOM 538 C VAL A 35 -6.282 -6.250 -1.834 1.00 0.00 C ATOM 539 O VAL A 35 -7.374 -6.648 -2.235 1.00 0.00 O ATOM 540 CB VAL A 35 -6.520 -4.289 -0.301 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.890 -5.095 0.824 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.259 -2.801 -0.111 1.00 0.00 C ATOM 0 H VAL A 35 -7.423 -3.454 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.920 -4.597 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.597 -4.456 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.275 -4.746 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.135 -6.150 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.808 -4.968 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.635 -2.487 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.187 -2.610 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.768 -2.239 -0.894 1.00 0.00 H new ATOM 552 N THR A 36 -5.283 -7.069 -1.523 1.00 0.00 N ATOM 553 CA THR A 36 -5.416 -8.517 -1.616 1.00 0.00 C ATOM 554 C THR A 36 -5.100 -9.167 -0.274 1.00 0.00 C ATOM 555 O THR A 36 -5.531 -10.286 0.008 1.00 0.00 O ATOM 556 CB THR A 36 -4.485 -9.105 -2.691 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.128 -8.738 -2.419 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.879 -8.619 -4.077 1.00 0.00 C ATOM 0 H THR A 36 -4.368 -6.752 -1.203 1.00 0.00 H new ATOM 0 HA THR A 36 -6.448 -8.729 -1.897 1.00 0.00 H new ATOM 0 HB THR A 36 -4.580 -10.191 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.112 -7.911 -1.893 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.206 -9.049 -4.818 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.902 -8.927 -4.294 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.813 -7.532 -4.114 1.00 0.00 H new ATOM 566 N ARG A 37 -4.340 -8.450 0.547 1.00 0.00 N ATOM 567 CA ARG A 37 -3.959 -8.935 1.868 1.00 0.00 C ATOM 568 C ARG A 37 -3.738 -7.766 2.821 1.00 0.00 C ATOM 569 O ARG A 37 -2.730 -7.066 2.736 1.00 0.00 O ATOM 570 CB ARG A 37 -2.686 -9.779 1.785 1.00 0.00 C ATOM 571 CG ARG A 37 -2.253 -10.361 3.122 1.00 0.00 C ATOM 572 CD ARG A 37 -0.954 -11.142 2.998 1.00 0.00 C ATOM 573 NE ARG A 37 -0.540 -11.726 4.271 1.00 0.00 N ATOM 574 CZ ARG A 37 0.475 -12.577 4.397 1.00 0.00 C ATOM 575 NH1 ARG A 37 1.174 -12.946 3.332 1.00 0.00 N ATOM 576 NH2 ARG A 37 0.791 -13.061 5.591 1.00 0.00 N ATOM 0 H ARG A 37 -3.974 -7.526 0.319 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.770 -9.556 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.845 -10.593 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.878 -9.165 1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.127 -9.556 3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.036 -11.015 3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.077 -11.934 2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.168 -10.482 2.630 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.058 -11.467 5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.934 -12.577 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.951 -13.599 3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.256 -12.781 6.413 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.569 -13.713 5.687 1.00 0.00 H new ATOM 590 N VAL A 38 -4.687 -7.557 3.727 1.00 0.00 N ATOM 591 CA VAL A 38 -4.588 -6.471 4.695 1.00 0.00 C ATOM 592 C VAL A 38 -4.301 -7.010 6.093 1.00 0.00 C ATOM 593 O VAL A 38 -5.059 -7.818 6.631 1.00 0.00 O ATOM 594 CB VAL A 38 -5.871 -5.612 4.716 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.111 -6.489 4.718 1.00 0.00 C ATOM 596 CG2 VAL A 38 -5.875 -4.672 5.912 1.00 0.00 C ATOM 0 H VAL A 38 -5.531 -8.123 3.811 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.757 -5.838 4.384 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.885 -5.008 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.001 -5.860 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.120 -7.109 3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.103 -7.128 5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.789 -4.078 5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.828 -5.254 6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.011 -4.010 5.857 1.00 0.00 H new ATOM 650 N TRP A 43 1.762 -2.300 6.491 1.00 0.00 N ATOM 651 CA TRP A 43 2.174 -2.842 5.201 1.00 0.00 C ATOM 652 C TRP A 43 1.122 -3.782 4.624 1.00 0.00 C ATOM 653 O TRP A 43 0.874 -4.861 5.163 1.00 0.00 O ATOM 654 CB TRP A 43 3.507 -3.575 5.341 1.00 0.00 C ATOM 655 CG TRP A 43 4.696 -2.687 5.144 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.507 -2.170 6.113 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.205 -2.208 3.895 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.496 -1.406 5.540 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.331 -1.414 4.180 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.819 -2.378 2.561 1.00 0.00 C ATOM 661 CZ2 TRP A 43 7.075 -0.790 3.182 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.559 -1.758 1.571 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.676 -0.974 1.886 1.00 0.00 C ATOM 0 HA TRP A 43 2.289 -2.006 4.512 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.562 -4.029 6.330 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.545 -4.387 4.615 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.389 -2.337 7.174 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.233 -0.913 6.045 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.960 -2.982 2.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.935 -0.183 3.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.271 -1.880 0.537 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.234 -0.505 1.089 1.00 0.00 H new ATOM 674 N TRP A 44 0.508 -3.363 3.521 1.00 0.00 N ATOM 675 CA TRP A 44 -0.514 -4.165 2.854 1.00 0.00 C ATOM 676 C TRP A 44 -0.065 -4.547 1.447 1.00 0.00 C ATOM 677 O TRP A 44 0.669 -3.803 0.798 1.00 0.00 O ATOM 678 CB TRP A 44 -1.838 -3.398 2.774 1.00 0.00 C ATOM 679 CG TRP A 44 -2.401 -2.996 4.106 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.055 -3.482 5.335 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.428 -2.024 4.335 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.798 -2.866 6.313 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.650 -1.968 5.724 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.178 -1.193 3.498 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.591 -1.115 6.294 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.113 -0.347 4.065 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.312 -0.313 5.451 1.00 0.00 C ATOM 0 H TRP A 44 0.701 -2.469 3.069 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.661 -5.071 3.441 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.690 -2.503 2.170 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.571 -4.015 2.254 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.306 -4.240 5.512 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.727 -3.047 7.314 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.030 -1.211 2.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.746 -1.087 7.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.700 0.299 3.428 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.049 0.360 5.863 1.00 0.00 H new ATOM 698 N GLU A 45 -0.510 -5.707 0.981 1.00 0.00 N ATOM 699 CA GLU A 45 -0.162 -6.181 -0.355 1.00 0.00 C ATOM 700 C GLU A 45 -1.338 -6.000 -1.311 1.00 0.00 C ATOM 701 O GLU A 45 -2.462 -6.398 -1.007 1.00 0.00 O ATOM 702 CB GLU A 45 0.251 -7.654 -0.312 1.00 0.00 C ATOM 703 CG GLU A 45 0.700 -8.200 -1.658 1.00 0.00 C ATOM 704 CD GLU A 45 0.992 -9.687 -1.617 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.061 -10.481 -1.864 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.153 -10.056 -1.339 1.00 0.00 O ATOM 0 H GLU A 45 -1.113 -6.338 1.508 1.00 0.00 H new ATOM 0 HA GLU A 45 0.680 -5.590 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.060 -7.775 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.589 -8.248 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.074 -8.006 -2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.594 -7.667 -1.982 1.00 0.00 H new ATOM 713 N GLY A 46 -1.069 -5.399 -2.466 1.00 0.00 N ATOM 714 CA GLY A 46 -2.117 -5.175 -3.447 1.00 0.00 C ATOM 715 C GLY A 46 -1.640 -5.385 -4.870 1.00 0.00 C ATOM 716 O GLY A 46 -0.528 -5.864 -5.095 1.00 0.00 O ATOM 0 H GLY A 46 -0.146 -5.063 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.949 -5.849 -3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.497 -4.159 -3.342 1.00 0.00 H new ATOM 720 N THR A 47 -2.485 -5.026 -5.833 1.00 0.00 N ATOM 721 CA THR A 47 -2.150 -5.179 -7.243 1.00 0.00 C ATOM 722 C THR A 47 -2.495 -3.918 -8.031 1.00 0.00 C ATOM 723 O THR A 47 -3.444 -3.207 -7.701 1.00 0.00 O ATOM 724 CB THR A 47 -2.893 -6.379 -7.864 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.580 -7.576 -7.142 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.517 -6.553 -9.327 1.00 0.00 C ATOM 0 H THR A 47 -3.408 -4.627 -5.661 1.00 0.00 H new ATOM 0 HA THR A 47 -1.076 -5.354 -7.299 1.00 0.00 H new ATOM 0 HB THR A 47 -3.964 -6.185 -7.801 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.057 -8.333 -7.542 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.054 -7.406 -9.742 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.783 -5.652 -9.881 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.444 -6.726 -9.409 1.00 0.00 H new ATOM 734 N LEU A 48 -1.713 -3.647 -9.075 1.00 0.00 N ATOM 735 CA LEU A 48 -1.933 -2.476 -9.919 1.00 0.00 C ATOM 736 C LEU A 48 -1.483 -2.756 -11.352 1.00 0.00 C ATOM 737 O LEU A 48 -0.735 -3.701 -11.603 1.00 0.00 O ATOM 738 CB LEU A 48 -1.189 -1.260 -9.356 1.00 0.00 C ATOM 739 CG LEU A 48 -1.418 0.055 -10.108 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.897 0.409 -10.149 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.623 1.181 -9.465 1.00 0.00 C ATOM 0 H LEU A 48 -0.920 -4.224 -9.356 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.001 -2.256 -9.928 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.487 -1.122 -8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.121 -1.477 -9.355 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.071 -0.078 -11.133 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.032 1.347 -10.688 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.447 -0.384 -10.656 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.273 0.518 -9.132 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.797 2.108 -10.012 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.940 1.305 -8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.439 0.938 -9.492 1.00 0.00 H new ATOM 753 N ASN A 49 -1.949 -1.932 -12.287 1.00 0.00 N ATOM 754 CA ASN A 49 -1.605 -2.089 -13.698 1.00 0.00 C ATOM 755 C ASN A 49 -0.093 -2.119 -13.909 1.00 0.00 C ATOM 756 O ASN A 49 0.581 -1.096 -13.783 1.00 0.00 O ATOM 757 CB ASN A 49 -2.215 -0.953 -14.522 1.00 0.00 C ATOM 758 CG ASN A 49 -3.671 -0.703 -14.181 1.00 0.00 C ATOM 759 OD1 ASN A 49 -4.384 -1.759 -13.808 1.00 0.00 O flip ATOM 760 ND2 ASN A 49 -4.152 0.428 -14.254 1.00 0.00 N flip ATOM 0 H ASN A 49 -2.568 -1.145 -12.092 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.014 -3.043 -14.030 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.644 -0.040 -14.354 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.130 -1.191 -15.582 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.569 1.212 -14.545 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.134 0.581 -14.023 1.00 0.00 H new ATOM 767 N GLY A 50 0.430 -3.299 -14.229 1.00 0.00 N ATOM 768 CA GLY A 50 1.855 -3.447 -14.472 1.00 0.00 C ATOM 769 C GLY A 50 2.697 -3.336 -13.216 1.00 0.00 C ATOM 770 O GLY A 50 3.920 -3.468 -13.272 1.00 0.00 O ATOM 0 H GLY A 50 -0.110 -4.159 -14.325 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.037 -4.415 -14.938 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.175 -2.686 -15.183 1.00 0.00 H new ATOM 774 N ARG A 51 2.051 -3.094 -12.080 1.00 0.00 N ATOM 775 CA ARG A 51 2.762 -2.967 -10.813 1.00 0.00 C ATOM 776 C ARG A 51 2.118 -3.831 -9.733 1.00 0.00 C ATOM 777 O ARG A 51 0.943 -3.664 -9.412 1.00 0.00 O ATOM 778 CB ARG A 51 2.790 -1.504 -10.364 1.00 0.00 C ATOM 779 CG ARG A 51 3.609 -0.606 -11.275 1.00 0.00 C ATOM 780 CD ARG A 51 3.555 0.845 -10.822 1.00 0.00 C ATOM 781 NE ARG A 51 4.267 1.731 -11.738 1.00 0.00 N ATOM 782 CZ ARG A 51 4.259 3.057 -11.640 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.576 3.651 -10.669 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.935 3.791 -12.514 1.00 0.00 N ATOM 0 H ARG A 51 1.040 -2.982 -12.011 1.00 0.00 H new ATOM 0 HA ARG A 51 3.784 -3.314 -10.965 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.768 -1.127 -10.318 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.195 -1.450 -9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.645 -0.946 -11.288 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.235 -0.684 -12.296 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.515 1.162 -10.746 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.988 0.930 -9.825 1.00 0.00 H new ATOM 0 HE ARG A 51 4.802 1.308 -12.497 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.055 3.090 -9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.572 4.668 -10.597 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.461 3.338 -13.261 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.929 4.808 -12.439 1.00 0.00 H new ATOM 798 N THR A 52 2.899 -4.751 -9.175 1.00 0.00 N ATOM 799 CA THR A 52 2.406 -5.642 -8.131 1.00 0.00 C ATOM 800 C THR A 52 3.432 -5.792 -7.012 1.00 0.00 C ATOM 801 O THR A 52 4.592 -6.118 -7.260 1.00 0.00 O ATOM 802 CB THR A 52 2.068 -7.034 -8.698 1.00 0.00 C ATOM 803 OG1 THR A 52 1.124 -6.910 -9.768 1.00 0.00 O ATOM 804 CG2 THR A 52 1.497 -7.939 -7.616 1.00 0.00 C ATOM 0 H THR A 52 3.876 -4.899 -9.429 1.00 0.00 H new ATOM 0 HA THR A 52 1.498 -5.193 -7.729 1.00 0.00 H new ATOM 0 HB THR A 52 2.989 -7.481 -9.073 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.915 -7.799 -10.125 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.267 -8.915 -8.042 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.228 -8.056 -6.816 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.586 -7.495 -7.214 1.00 0.00 H new ATOM 812 N GLY A 53 2.993 -5.552 -5.780 1.00 0.00 N ATOM 813 CA GLY A 53 3.883 -5.661 -4.640 1.00 0.00 C ATOM 814 C GLY A 53 3.282 -5.074 -3.378 1.00 0.00 C ATOM 815 O GLY A 53 2.103 -4.724 -3.350 1.00 0.00 O ATOM 0 H GLY A 53 2.036 -5.284 -5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.124 -6.710 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.820 -5.151 -4.864 1.00 0.00 H new ATOM 819 N TRP A 54 4.095 -4.968 -2.331 1.00 0.00 N ATOM 820 CA TRP A 54 3.636 -4.421 -1.058 1.00 0.00 C ATOM 821 C TRP A 54 3.652 -2.895 -1.072 1.00 0.00 C ATOM 822 O TRP A 54 4.398 -2.276 -1.831 1.00 0.00 O ATOM 823 CB TRP A 54 4.508 -4.939 0.087 1.00 0.00 C ATOM 824 CG TRP A 54 4.339 -6.404 0.344 1.00 0.00 C ATOM 825 CD1 TRP A 54 4.991 -7.428 -0.283 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.459 -7.012 1.296 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.570 -8.634 0.222 1.00 0.00 N ATOM 828 CE2 TRP A 54 3.630 -8.405 1.193 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.544 -6.513 2.227 1.00 0.00 C ATOM 830 CZ2 TRP A 54 2.919 -9.304 1.984 1.00 0.00 C ATOM 831 CZ3 TRP A 54 1.839 -7.406 3.012 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.031 -8.787 2.887 1.00 0.00 C ATOM 0 H TRP A 54 5.074 -5.253 -2.339 1.00 0.00 H new ATOM 0 HA TRP A 54 2.608 -4.750 -0.906 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.554 -4.736 -0.142 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.267 -4.388 0.996 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.729 -7.307 -1.062 1.00 0.00 H new ATOM 0 HE1 TRP A 54 4.903 -9.551 -0.077 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.391 -5.449 2.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.063 -10.370 1.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.128 -7.032 3.734 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.466 -9.458 3.517 1.00 0.00 H new ATOM 843 N PHE A 55 2.817 -2.297 -0.227 1.00 0.00 N ATOM 844 CA PHE A 55 2.730 -0.846 -0.125 1.00 0.00 C ATOM 845 C PHE A 55 2.267 -0.433 1.272 1.00 0.00 C ATOM 846 O PHE A 55 1.433 -1.108 1.875 1.00 0.00 O ATOM 847 CB PHE A 55 1.772 -0.291 -1.183 1.00 0.00 C ATOM 848 CG PHE A 55 0.347 -0.733 -1.005 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.090 -1.940 -1.525 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.557 0.061 -0.317 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.400 -2.347 -1.362 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.868 -0.340 -0.150 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.290 -1.546 -0.674 1.00 0.00 C ATOM 0 H PHE A 55 2.188 -2.799 0.400 1.00 0.00 H new ATOM 0 HA PHE A 55 3.723 -0.431 -0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.810 0.798 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.117 -0.600 -2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.602 -2.570 -2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.232 1.005 0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.728 -3.291 -1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.562 0.288 0.389 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.315 -1.862 -0.546 1.00 0.00 H new ATOM 863 N PRO A 56 2.803 0.679 1.813 1.00 0.00 N ATOM 864 CA PRO A 56 2.426 1.162 3.147 1.00 0.00 C ATOM 865 C PRO A 56 0.927 1.416 3.262 1.00 0.00 C ATOM 866 O PRO A 56 0.241 1.583 2.256 1.00 0.00 O ATOM 867 CB PRO A 56 3.199 2.477 3.289 1.00 0.00 C ATOM 868 CG PRO A 56 4.331 2.362 2.329 1.00 0.00 C ATOM 869 CD PRO A 56 3.811 1.548 1.178 1.00 0.00 C ATOM 0 HA PRO A 56 2.658 0.433 3.923 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.567 3.334 3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.558 2.616 4.309 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.661 3.345 1.995 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.190 1.878 2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.371 2.178 0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.603 0.968 0.704 1.00 0.00 H new ATOM 877 N SER A 57 0.424 1.443 4.493 1.00 0.00 N ATOM 878 CA SER A 57 -0.996 1.682 4.730 1.00 0.00 C ATOM 879 C SER A 57 -1.225 3.096 5.249 1.00 0.00 C ATOM 880 O SER A 57 -2.289 3.680 5.041 1.00 0.00 O ATOM 881 CB SER A 57 -1.552 0.669 5.729 1.00 0.00 C ATOM 882 OG SER A 57 -1.106 0.951 7.043 1.00 0.00 O ATOM 0 H SER A 57 0.976 1.303 5.339 1.00 0.00 H new ATOM 0 HA SER A 57 -1.519 1.567 3.781 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.641 0.686 5.700 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.241 -0.336 5.444 1.00 0.00 H new ATOM 0 HG SER A 57 -1.477 0.289 7.663 1.00 0.00 H new ATOM 888 N ASN A 58 -0.219 3.641 5.926 1.00 0.00 N ATOM 889 CA ASN A 58 -0.311 4.989 6.473 1.00 0.00 C ATOM 890 C ASN A 58 0.006 6.036 5.408 1.00 0.00 C ATOM 891 O ASN A 58 -0.245 7.225 5.603 1.00 0.00 O ATOM 892 CB ASN A 58 0.643 5.147 7.659 1.00 0.00 C ATOM 893 CG ASN A 58 0.286 4.240 8.822 1.00 0.00 C ATOM 894 OD1 ASN A 58 -1.001 3.950 8.979 1.00 0.00 O flip ATOM 895 ND2 ASN A 58 1.159 3.806 9.573 1.00 0.00 N flip ATOM 0 H ASN A 58 0.667 3.170 6.108 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.335 5.144 6.814 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.660 4.930 7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.630 6.184 7.995 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.136 4.054 9.416 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.906 3.198 10.352 1.00 0.00 H new ATOM 902 N TYR A 59 0.558 5.588 4.284 1.00 0.00 N ATOM 903 CA TYR A 59 0.896 6.491 3.188 1.00 0.00 C ATOM 904 C TYR A 59 -0.237 6.545 2.169 1.00 0.00 C ATOM 905 O TYR A 59 -0.228 7.368 1.254 1.00 0.00 O ATOM 906 CB TYR A 59 2.199 6.053 2.512 1.00 0.00 C ATOM 907 CG TYR A 59 3.263 7.131 2.504 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.732 7.678 3.691 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.795 7.601 1.309 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.700 8.664 3.689 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.765 8.586 1.299 1.00 0.00 C ATOM 912 CZ TYR A 59 5.213 9.115 2.492 1.00 0.00 C ATOM 913 OH TYR A 59 6.175 10.099 2.486 1.00 0.00 O ATOM 0 H TYR A 59 0.780 4.608 4.108 1.00 0.00 H new ATOM 0 HA TYR A 59 1.039 7.490 3.600 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.588 5.173 3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.985 5.756 1.485 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.334 7.327 4.631 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.445 7.190 0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.053 9.079 4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.170 8.940 0.362 1.00 0.00 H new ATOM 0 HH TYR A 59 6.430 10.301 1.562 1.00 0.00 H new ATOM 923 N VAL A 60 -1.209 5.655 2.337 1.00 0.00 N ATOM 924 CA VAL A 60 -2.366 5.595 1.452 1.00 0.00 C ATOM 925 C VAL A 60 -3.656 5.728 2.258 1.00 0.00 C ATOM 926 O VAL A 60 -3.637 5.626 3.485 1.00 0.00 O ATOM 927 CB VAL A 60 -2.396 4.277 0.654 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.289 4.260 -0.389 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.271 3.082 1.587 1.00 0.00 C ATOM 0 H VAL A 60 -1.218 4.960 3.084 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.285 6.424 0.749 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.354 4.209 0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.325 3.322 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.425 5.094 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.322 4.352 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.294 2.161 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.329 3.143 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.100 3.085 2.295 1.00 0.00 H new ATOM 939 N ARG A 61 -4.775 5.958 1.574 1.00 0.00 N ATOM 940 CA ARG A 61 -6.058 6.107 2.255 1.00 0.00 C ATOM 941 C ARG A 61 -7.170 5.366 1.518 1.00 0.00 C ATOM 942 O ARG A 61 -7.316 5.491 0.303 1.00 0.00 O ATOM 943 CB ARG A 61 -6.417 7.589 2.393 1.00 0.00 C ATOM 944 CG ARG A 61 -6.537 8.317 1.064 1.00 0.00 C ATOM 945 CD ARG A 61 -6.743 9.811 1.265 1.00 0.00 C ATOM 946 NE ARG A 61 -7.886 10.095 2.128 1.00 0.00 N ATOM 947 CZ ARG A 61 -8.080 11.262 2.733 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.211 12.252 2.570 1.00 0.00 N ATOM 949 NH2 ARG A 61 -9.145 11.442 3.503 1.00 0.00 N ATOM 0 H ARG A 61 -4.819 6.044 0.559 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.960 5.668 3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.361 7.676 2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.658 8.082 3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.637 8.149 0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.372 7.906 0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.843 10.246 1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.892 10.290 0.297 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.574 9.356 2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.391 12.118 1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.363 13.146 3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.816 10.684 3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.293 12.338 3.967 1.00 0.00 H new ATOM 963 N GLU A 62 -7.952 4.593 2.268 1.00 0.00 N ATOM 964 CA GLU A 62 -9.055 3.823 1.701 1.00 0.00 C ATOM 965 C GLU A 62 -10.007 4.719 0.914 1.00 0.00 C ATOM 966 O GLU A 62 -10.607 5.640 1.467 1.00 0.00 O ATOM 967 CB GLU A 62 -9.821 3.102 2.815 1.00 0.00 C ATOM 968 CG GLU A 62 -11.052 2.354 2.326 1.00 0.00 C ATOM 969 CD GLU A 62 -11.855 1.752 3.461 1.00 0.00 C ATOM 970 OE1 GLU A 62 -12.661 2.485 4.073 1.00 0.00 O ATOM 971 OE2 GLU A 62 -11.678 0.547 3.741 1.00 0.00 O ATOM 0 H GLU A 62 -7.840 4.483 3.276 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.634 3.087 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.151 2.398 3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.125 3.831 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.686 3.036 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.744 1.562 1.643 1.00 0.00 H new ATOM 978 N VAL A 63 -10.137 4.441 -0.378 1.00 0.00 N ATOM 979 CA VAL A 63 -11.023 5.211 -1.242 1.00 0.00 C ATOM 980 C VAL A 63 -12.336 4.465 -1.470 1.00 0.00 C ATOM 981 O VAL A 63 -12.337 3.281 -1.808 1.00 0.00 O ATOM 982 CB VAL A 63 -10.362 5.518 -2.602 1.00 0.00 C ATOM 983 CG1 VAL A 63 -9.898 4.235 -3.278 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.319 6.288 -3.502 1.00 0.00 C ATOM 0 H VAL A 63 -9.639 3.687 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.227 6.155 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.486 6.142 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.435 4.475 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.172 3.730 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.754 3.581 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.834 6.495 -4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.216 5.693 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.592 7.228 -3.023 1.00 0.00 H new