USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 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 20 THR OG1 : rot 77:sc= 1.22 USER MOD Set 1.2: A 21 ASN :FLIP amide:sc= 0.0851 F(o=-1.7,f=1.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 19 GLN : amide:sc= -0.495 K(o=-0.5,f=-2.1) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -11:sc= 0.871 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 -26:sc= 0.588 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.79) 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 : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -11.553 -4.321 -0.639 1.00 0.00 N ATOM 117 CA LEU A 9 -11.260 -2.988 -0.129 1.00 0.00 C ATOM 118 C LEU A 9 -10.466 -2.185 -1.154 1.00 0.00 C ATOM 119 O LEU A 9 -9.387 -2.596 -1.579 1.00 0.00 O ATOM 120 CB LEU A 9 -10.480 -3.084 1.187 1.00 0.00 C ATOM 121 CG LEU A 9 -10.414 -1.792 2.010 1.00 0.00 C ATOM 122 CD1 LEU A 9 -10.113 -2.107 3.466 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.364 -0.846 1.446 1.00 0.00 C ATOM 0 HA LEU A 9 -12.203 -2.474 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.932 -3.863 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.462 -3.404 0.964 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.385 -1.300 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.069 -1.180 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.899 -2.746 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.155 -2.622 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.335 0.064 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.387 -1.329 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.617 -0.594 0.416 1.00 0.00 H new ATOM 135 N VAL A 10 -11.001 -1.032 -1.541 1.00 0.00 N ATOM 136 CA VAL A 10 -10.340 -0.178 -2.517 1.00 0.00 C ATOM 137 C VAL A 10 -9.594 0.959 -1.829 1.00 0.00 C ATOM 138 O VAL A 10 -10.178 1.724 -1.061 1.00 0.00 O ATOM 139 CB VAL A 10 -11.344 0.416 -3.523 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.616 1.188 -4.613 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.212 -0.679 -4.125 1.00 0.00 C ATOM 0 H VAL A 10 -11.889 -0.669 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.631 -0.805 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.994 1.110 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.342 1.600 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.044 2.000 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.939 0.518 -5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.914 -0.239 -4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.580 -1.401 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.764 -1.183 -3.332 1.00 0.00 H new ATOM 151 N VAL A 11 -8.301 1.060 -2.113 1.00 0.00 N ATOM 152 CA VAL A 11 -7.464 2.093 -1.520 1.00 0.00 C ATOM 153 C VAL A 11 -6.819 2.958 -2.602 1.00 0.00 C ATOM 154 O VAL A 11 -6.489 2.470 -3.682 1.00 0.00 O ATOM 155 CB VAL A 11 -6.370 1.471 -0.631 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.372 0.683 -1.467 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.669 2.543 0.187 1.00 0.00 C ATOM 0 H VAL A 11 -7.809 0.436 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.104 2.722 -0.901 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.848 0.777 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.610 0.254 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.891 -0.117 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.899 1.347 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.900 2.083 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.208 3.269 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.395 3.048 0.824 1.00 0.00 H new ATOM 167 N ARG A 12 -6.643 4.243 -2.305 1.00 0.00 N ATOM 168 CA ARG A 12 -6.048 5.172 -3.260 1.00 0.00 C ATOM 169 C ARG A 12 -4.744 5.760 -2.726 1.00 0.00 C ATOM 170 O ARG A 12 -4.629 6.074 -1.542 1.00 0.00 O ATOM 171 CB ARG A 12 -7.033 6.296 -3.585 1.00 0.00 C ATOM 172 CG ARG A 12 -6.565 7.216 -4.698 1.00 0.00 C ATOM 173 CD ARG A 12 -7.578 8.315 -4.977 1.00 0.00 C ATOM 174 NE ARG A 12 -8.821 7.787 -5.534 1.00 0.00 N ATOM 175 CZ ARG A 12 -9.768 8.550 -6.072 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.621 9.867 -6.112 1.00 0.00 N ATOM 177 NH2 ARG A 12 -10.866 7.995 -6.567 1.00 0.00 N ATOM 0 H ARG A 12 -6.903 4.663 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.821 4.617 -4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.990 5.858 -3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.205 6.887 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.609 7.662 -4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.398 6.635 -5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.794 8.851 -4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.148 9.037 -5.671 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.971 6.778 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.779 10.298 -5.729 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.349 10.449 -6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.984 6.982 -6.535 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.592 8.581 -6.980 1.00 0.00 H new ATOM 191 N ALA A 13 -3.765 5.901 -3.616 1.00 0.00 N ATOM 192 CA ALA A 13 -2.462 6.450 -3.253 1.00 0.00 C ATOM 193 C ALA A 13 -2.580 7.882 -2.740 1.00 0.00 C ATOM 194 O ALA A 13 -3.335 8.688 -3.286 1.00 0.00 O ATOM 195 CB ALA A 13 -1.523 6.395 -4.447 1.00 0.00 C ATOM 0 H ALA A 13 -3.851 5.641 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.055 5.841 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.553 6.807 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.399 5.360 -4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.942 6.979 -5.267 1.00 0.00 H new ATOM 201 N LYS A 14 -1.828 8.192 -1.687 1.00 0.00 N ATOM 202 CA LYS A 14 -1.840 9.529 -1.101 1.00 0.00 C ATOM 203 C LYS A 14 -0.652 10.352 -1.595 1.00 0.00 C ATOM 204 O LYS A 14 -0.823 11.347 -2.299 1.00 0.00 O ATOM 205 CB LYS A 14 -1.815 9.446 0.427 1.00 0.00 C ATOM 206 CG LYS A 14 -2.987 8.677 1.016 1.00 0.00 C ATOM 207 CD LYS A 14 -2.930 8.642 2.536 1.00 0.00 C ATOM 208 CE LYS A 14 -3.185 10.016 3.139 1.00 0.00 C ATOM 209 NZ LYS A 14 -3.167 9.982 4.627 1.00 0.00 N ATOM 0 H LYS A 14 -1.202 7.535 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.760 10.023 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.886 8.971 0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.812 10.456 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.922 9.138 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.986 7.658 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.670 7.936 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.953 8.280 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.428 10.715 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.150 10.389 2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.345 10.937 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.906 9.335 4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.238 9.650 4.955 1.00 0.00 H new ATOM 223 N PHE A 15 0.553 9.927 -1.218 1.00 0.00 N ATOM 224 CA PHE A 15 1.774 10.621 -1.617 1.00 0.00 C ATOM 225 C PHE A 15 2.497 9.861 -2.728 1.00 0.00 C ATOM 226 O PHE A 15 2.202 8.695 -2.987 1.00 0.00 O ATOM 227 CB PHE A 15 2.706 10.787 -0.413 1.00 0.00 C ATOM 228 CG PHE A 15 2.010 11.273 0.829 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.364 12.499 0.844 1.00 0.00 C ATOM 230 CD2 PHE A 15 2.004 10.502 1.983 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.722 12.946 1.984 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.365 10.945 3.125 1.00 0.00 C ATOM 233 CZ PHE A 15 0.724 12.169 3.126 1.00 0.00 C ATOM 0 H PHE A 15 0.709 9.104 -0.636 1.00 0.00 H new ATOM 0 HA PHE A 15 1.495 11.604 -1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.184 9.831 -0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.499 11.489 -0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.362 13.112 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.504 9.545 1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.219 13.902 1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.367 10.335 4.016 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.225 12.518 4.018 1.00 0.00 H new ATOM 243 N ASN A 16 3.445 10.531 -3.381 1.00 0.00 N ATOM 244 CA ASN A 16 4.213 9.917 -4.460 1.00 0.00 C ATOM 245 C ASN A 16 5.264 8.961 -3.901 1.00 0.00 C ATOM 246 O ASN A 16 6.311 9.390 -3.417 1.00 0.00 O ATOM 247 CB ASN A 16 4.890 10.993 -5.312 1.00 0.00 C ATOM 248 CG ASN A 16 5.739 10.405 -6.423 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.258 10.177 -7.532 1.00 0.00 O ATOM 250 ND2 ASN A 16 7.010 10.154 -6.128 1.00 0.00 N ATOM 0 H ASN A 16 3.699 11.498 -3.181 1.00 0.00 H new ATOM 0 HA ASN A 16 3.524 9.350 -5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.128 11.641 -5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.515 11.618 -4.674 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.629 9.756 -6.835 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.367 10.359 -5.195 1.00 0.00 H new ATOM 257 N PHE A 17 4.974 7.664 -3.965 1.00 0.00 N ATOM 258 CA PHE A 17 5.890 6.649 -3.462 1.00 0.00 C ATOM 259 C PHE A 17 6.723 6.052 -4.593 1.00 0.00 C ATOM 260 O PHE A 17 6.196 5.719 -5.654 1.00 0.00 O ATOM 261 CB PHE A 17 5.110 5.542 -2.749 1.00 0.00 C ATOM 262 CG PHE A 17 5.986 4.523 -2.077 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.512 4.766 -0.819 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.279 3.323 -2.704 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.317 3.831 -0.199 1.00 0.00 C ATOM 266 CE2 PHE A 17 7.084 2.384 -2.088 1.00 0.00 C ATOM 267 CZ PHE A 17 7.604 2.638 -0.834 1.00 0.00 C ATOM 0 H PHE A 17 4.110 7.293 -4.361 1.00 0.00 H new ATOM 0 HA PHE A 17 6.567 7.126 -2.753 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.455 5.993 -2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.470 5.037 -3.472 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.290 5.697 -0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.874 3.119 -3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.722 4.032 0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.306 1.452 -2.587 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.234 1.906 -0.351 1.00 0.00 H new ATOM 277 N GLN A 18 8.026 5.918 -4.357 1.00 0.00 N ATOM 278 CA GLN A 18 8.930 5.354 -5.353 1.00 0.00 C ATOM 279 C GLN A 18 9.400 3.966 -4.928 1.00 0.00 C ATOM 280 O GLN A 18 9.800 3.759 -3.782 1.00 0.00 O ATOM 281 CB GLN A 18 10.133 6.277 -5.567 1.00 0.00 C ATOM 282 CG GLN A 18 10.922 6.554 -4.300 1.00 0.00 C ATOM 283 CD GLN A 18 12.104 7.474 -4.539 1.00 0.00 C ATOM 284 OE1 GLN A 18 12.073 8.327 -5.425 1.00 0.00 O ATOM 285 NE2 GLN A 18 13.156 7.304 -3.746 1.00 0.00 N ATOM 0 H GLN A 18 8.478 6.192 -3.485 1.00 0.00 H new ATOM 0 HA GLN A 18 8.387 5.263 -6.294 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.796 5.829 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.785 7.223 -5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.263 7.001 -3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.278 5.611 -3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.139 6.584 -3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.981 7.893 -3.859 1.00 0.00 H new ATOM 294 N GLN A 19 9.348 3.019 -5.859 1.00 0.00 N ATOM 295 CA GLN A 19 9.758 1.647 -5.580 1.00 0.00 C ATOM 296 C GLN A 19 11.267 1.477 -5.730 1.00 0.00 C ATOM 297 O GLN A 19 11.926 2.258 -6.417 1.00 0.00 O ATOM 298 CB GLN A 19 9.034 0.675 -6.514 1.00 0.00 C ATOM 299 CG GLN A 19 9.407 0.846 -7.979 1.00 0.00 C ATOM 300 CD GLN A 19 8.768 -0.201 -8.871 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.672 -0.687 -8.591 1.00 0.00 O ATOM 302 NE2 GLN A 19 9.454 -0.555 -9.951 1.00 0.00 N ATOM 0 H GLN A 19 9.026 3.176 -6.814 1.00 0.00 H new ATOM 0 HA GLN A 19 9.489 1.425 -4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.259 -0.346 -6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.958 0.811 -6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.103 1.838 -8.314 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.491 0.793 -8.082 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.359 -0.126 -10.144 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.076 -1.256 -10.588 1.00 0.00 H new ATOM 311 N THR A 20 11.805 0.449 -5.081 1.00 0.00 N ATOM 312 CA THR A 20 13.231 0.160 -5.146 1.00 0.00 C ATOM 313 C THR A 20 13.495 -1.048 -6.037 1.00 0.00 C ATOM 314 O THR A 20 14.621 -1.270 -6.487 1.00 0.00 O ATOM 315 CB THR A 20 13.816 -0.107 -3.746 1.00 0.00 C ATOM 316 OG1 THR A 20 13.121 -1.192 -3.121 1.00 0.00 O ATOM 317 CG2 THR A 20 13.719 1.135 -2.872 1.00 0.00 C ATOM 0 H THR A 20 11.271 -0.199 -4.502 1.00 0.00 H new ATOM 0 HA THR A 20 13.719 1.039 -5.568 1.00 0.00 H new ATOM 0 HB THR A 20 14.868 -0.369 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.428 -2.041 -3.504 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.138 0.922 -1.889 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.276 1.950 -3.335 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.673 1.424 -2.766 1.00 0.00 H new ATOM 325 N ASN A 21 12.445 -1.825 -6.288 1.00 0.00 N ATOM 326 CA ASN A 21 12.544 -3.015 -7.129 1.00 0.00 C ATOM 327 C ASN A 21 11.213 -3.289 -7.821 1.00 0.00 C ATOM 328 O ASN A 21 10.244 -2.554 -7.633 1.00 0.00 O ATOM 329 CB ASN A 21 12.946 -4.233 -6.292 1.00 0.00 C ATOM 330 CG ASN A 21 14.218 -4.003 -5.501 1.00 0.00 C ATOM 331 OD1 ASN A 21 14.070 -3.520 -4.274 1.00 0.00 O flip ATOM 332 ND2 ASN A 21 15.320 -4.257 -5.987 1.00 0.00 N flip ATOM 0 H ASN A 21 11.510 -1.651 -5.919 1.00 0.00 H new ATOM 0 HA ASN A 21 13.309 -2.834 -7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.136 -4.481 -5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.082 -5.092 -6.949 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.386 -4.627 -6.935 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.167 -4.097 -5.442 1.00 0.00 H new ATOM 339 N GLU A 22 11.171 -4.349 -8.622 1.00 0.00 N ATOM 340 CA GLU A 22 9.954 -4.717 -9.337 1.00 0.00 C ATOM 341 C GLU A 22 9.075 -5.616 -8.475 1.00 0.00 C ATOM 342 O GLU A 22 7.959 -5.965 -8.860 1.00 0.00 O ATOM 343 CB GLU A 22 10.291 -5.422 -10.652 1.00 0.00 C ATOM 344 CG GLU A 22 11.077 -4.556 -11.625 1.00 0.00 C ATOM 345 CD GLU A 22 12.519 -4.357 -11.200 1.00 0.00 C ATOM 346 OE1 GLU A 22 13.349 -5.246 -11.486 1.00 0.00 O ATOM 347 OE2 GLU A 22 12.817 -3.314 -10.583 1.00 0.00 O ATOM 0 H GLU A 22 11.964 -4.967 -8.792 1.00 0.00 H new ATOM 0 HA GLU A 22 9.406 -3.802 -9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.866 -6.322 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.365 -5.742 -11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.054 -5.015 -12.613 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.591 -3.584 -11.714 1.00 0.00 H new ATOM 354 N ASP A 23 9.589 -5.987 -7.307 1.00 0.00 N ATOM 355 CA ASP A 23 8.856 -6.846 -6.384 1.00 0.00 C ATOM 356 C ASP A 23 7.953 -6.020 -5.474 1.00 0.00 C ATOM 357 O ASP A 23 7.041 -6.552 -4.840 1.00 0.00 O ATOM 358 CB ASP A 23 9.830 -7.670 -5.541 1.00 0.00 C ATOM 359 CG ASP A 23 10.760 -8.515 -6.390 1.00 0.00 C ATOM 360 OD1 ASP A 23 11.842 -8.015 -6.763 1.00 0.00 O ATOM 361 OD2 ASP A 23 10.405 -9.677 -6.682 1.00 0.00 O ATOM 0 H ASP A 23 10.512 -5.706 -6.977 1.00 0.00 H new ATOM 0 HA ASP A 23 8.232 -7.520 -6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.421 -7.001 -4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.266 -8.318 -4.870 1.00 0.00 H new ATOM 366 N GLU A 24 8.212 -4.717 -5.414 1.00 0.00 N ATOM 367 CA GLU A 24 7.423 -3.817 -4.579 1.00 0.00 C ATOM 368 C GLU A 24 6.339 -3.128 -5.405 1.00 0.00 C ATOM 369 O GLU A 24 6.386 -3.134 -6.635 1.00 0.00 O ATOM 370 CB GLU A 24 8.331 -2.777 -3.918 1.00 0.00 C ATOM 371 CG GLU A 24 7.657 -1.999 -2.799 1.00 0.00 C ATOM 372 CD GLU A 24 8.631 -1.138 -2.020 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.005 -0.059 -2.526 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.020 -1.543 -0.905 1.00 0.00 O ATOM 0 H GLU A 24 8.962 -4.261 -5.934 1.00 0.00 H new ATOM 0 HA GLU A 24 6.938 -4.405 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.213 -3.279 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.679 -2.076 -4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.875 -1.367 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.170 -2.697 -2.118 1.00 0.00 H new ATOM 381 N LEU A 25 5.366 -2.533 -4.722 1.00 0.00 N ATOM 382 CA LEU A 25 4.267 -1.850 -5.396 1.00 0.00 C ATOM 383 C LEU A 25 4.518 -0.346 -5.471 1.00 0.00 C ATOM 384 O LEU A 25 4.569 0.337 -4.449 1.00 0.00 O ATOM 385 CB LEU A 25 2.950 -2.119 -4.653 1.00 0.00 C ATOM 386 CG LEU A 25 1.670 -2.025 -5.495 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.497 -0.634 -6.085 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.676 -3.075 -6.596 1.00 0.00 C ATOM 0 H LEU A 25 5.316 -2.510 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 25 4.199 -2.238 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.000 -3.116 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.871 -1.412 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 25 0.823 -2.216 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.581 -0.601 -6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.436 0.098 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.349 -0.401 -6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.761 -2.993 -7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.538 -2.917 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.734 -4.068 -6.151 1.00 0.00 H new ATOM 400 N SER A 26 4.673 0.162 -6.691 1.00 0.00 N ATOM 401 CA SER A 26 4.899 1.587 -6.904 1.00 0.00 C ATOM 402 C SER A 26 3.576 2.288 -7.182 1.00 0.00 C ATOM 403 O SER A 26 2.669 1.702 -7.773 1.00 0.00 O ATOM 404 CB SER A 26 5.866 1.813 -8.066 1.00 0.00 C ATOM 405 OG SER A 26 6.002 3.192 -8.356 1.00 0.00 O ATOM 0 H SER A 26 4.646 -0.393 -7.546 1.00 0.00 H new ATOM 0 HA SER A 26 5.343 2.005 -6.000 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.841 1.393 -7.819 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.506 1.286 -8.950 1.00 0.00 H new ATOM 0 HG SER A 26 6.627 3.309 -9.102 1.00 0.00 H new ATOM 411 N PHE A 27 3.464 3.540 -6.755 1.00 0.00 N ATOM 412 CA PHE A 27 2.233 4.293 -6.960 1.00 0.00 C ATOM 413 C PHE A 27 2.438 5.787 -6.732 1.00 0.00 C ATOM 414 O PHE A 27 3.331 6.201 -5.991 1.00 0.00 O ATOM 415 CB PHE A 27 1.143 3.775 -6.022 1.00 0.00 C ATOM 416 CG PHE A 27 1.578 3.694 -4.586 1.00 0.00 C ATOM 417 CD1 PHE A 27 2.171 2.543 -4.091 1.00 0.00 C ATOM 418 CD2 PHE A 27 1.395 4.769 -3.731 1.00 0.00 C ATOM 419 CE1 PHE A 27 2.574 2.467 -2.772 1.00 0.00 C ATOM 420 CE2 PHE A 27 1.794 4.697 -2.410 1.00 0.00 C ATOM 421 CZ PHE A 27 2.384 3.544 -1.930 1.00 0.00 C ATOM 0 H PHE A 27 4.202 4.051 -6.270 1.00 0.00 H new ATOM 0 HA PHE A 27 1.928 4.151 -7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.273 4.427 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.828 2.786 -6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.320 1.696 -4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.935 5.673 -4.101 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.038 1.565 -2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.645 5.541 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.696 3.485 -0.898 1.00 0.00 H new ATOM 431 N SER A 28 1.599 6.586 -7.382 1.00 0.00 N ATOM 432 CA SER A 28 1.657 8.038 -7.256 1.00 0.00 C ATOM 433 C SER A 28 0.267 8.597 -6.970 1.00 0.00 C ATOM 434 O SER A 28 -0.738 7.959 -7.282 1.00 0.00 O ATOM 435 CB SER A 28 2.219 8.663 -8.535 1.00 0.00 C ATOM 436 OG SER A 28 1.407 8.356 -9.654 1.00 0.00 O ATOM 0 H SER A 28 0.866 6.250 -8.006 1.00 0.00 H new ATOM 0 HA SER A 28 2.317 8.287 -6.425 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.285 9.744 -8.416 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.232 8.299 -8.706 1.00 0.00 H new ATOM 0 HG SER A 28 0.752 7.671 -9.405 1.00 0.00 H new ATOM 442 N LYS A 29 0.220 9.782 -6.367 1.00 0.00 N ATOM 443 CA LYS A 29 -1.047 10.430 -6.032 1.00 0.00 C ATOM 444 C LYS A 29 -2.040 10.346 -7.191 1.00 0.00 C ATOM 445 O LYS A 29 -1.956 11.118 -8.147 1.00 0.00 O ATOM 446 CB LYS A 29 -0.806 11.894 -5.656 1.00 0.00 C ATOM 447 CG LYS A 29 -2.061 12.623 -5.203 1.00 0.00 C ATOM 448 CD LYS A 29 -1.762 14.068 -4.839 1.00 0.00 C ATOM 449 CE LYS A 29 -3.007 14.787 -4.344 1.00 0.00 C ATOM 450 NZ LYS A 29 -2.725 16.207 -3.998 1.00 0.00 N ATOM 0 H LYS A 29 1.047 10.315 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.477 9.904 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.063 11.938 -4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.383 12.416 -6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.807 12.593 -5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.490 12.111 -4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.992 14.098 -4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.362 14.588 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.779 14.747 -5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.401 14.271 -3.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.598 16.663 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.006 16.245 -3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.373 16.706 -4.840 1.00 0.00 H new ATOM 464 N GLY A 30 -2.977 9.404 -7.101 1.00 0.00 N ATOM 465 CA GLY A 30 -3.969 9.245 -8.150 1.00 0.00 C ATOM 466 C GLY A 30 -4.239 7.791 -8.493 1.00 0.00 C ATOM 467 O GLY A 30 -5.395 7.367 -8.551 1.00 0.00 O ATOM 0 H GLY A 30 -3.066 8.751 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.900 9.718 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.631 9.767 -9.045 1.00 0.00 H new ATOM 471 N ASP A 31 -3.176 7.027 -8.725 1.00 0.00 N ATOM 472 CA ASP A 31 -3.305 5.615 -9.071 1.00 0.00 C ATOM 473 C ASP A 31 -4.063 4.846 -7.991 1.00 0.00 C ATOM 474 O ASP A 31 -3.725 4.921 -6.809 1.00 0.00 O ATOM 475 CB ASP A 31 -1.923 4.996 -9.285 1.00 0.00 C ATOM 476 CG ASP A 31 -1.187 5.621 -10.456 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.594 6.704 -10.273 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.207 5.027 -11.554 1.00 0.00 O ATOM 0 H ASP A 31 -2.214 7.363 -8.680 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.876 5.547 -9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.329 5.117 -8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.030 3.925 -9.456 1.00 0.00 H new ATOM 483 N VAL A 32 -5.090 4.109 -8.409 1.00 0.00 N ATOM 484 CA VAL A 32 -5.900 3.320 -7.485 1.00 0.00 C ATOM 485 C VAL A 32 -5.379 1.889 -7.404 1.00 0.00 C ATOM 486 O VAL A 32 -5.026 1.295 -8.419 1.00 0.00 O ATOM 487 CB VAL A 32 -7.381 3.290 -7.915 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.246 2.679 -6.823 1.00 0.00 C ATOM 489 CG2 VAL A 32 -7.865 4.689 -8.268 1.00 0.00 C ATOM 0 H VAL A 32 -5.381 4.042 -9.384 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.827 3.796 -6.507 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.466 2.665 -8.804 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.287 2.668 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.916 1.659 -6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.156 3.272 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.912 4.647 -8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.763 5.339 -7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.267 5.084 -9.089 1.00 0.00 H new ATOM 499 N ILE A 33 -5.344 1.335 -6.196 1.00 0.00 N ATOM 500 CA ILE A 33 -4.850 -0.025 -5.999 1.00 0.00 C ATOM 501 C ILE A 33 -5.884 -0.905 -5.301 1.00 0.00 C ATOM 502 O ILE A 33 -6.569 -0.465 -4.377 1.00 0.00 O ATOM 503 CB ILE A 33 -3.549 -0.028 -5.172 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.507 0.887 -5.819 1.00 0.00 C ATOM 505 CG2 ILE A 33 -3.007 -1.443 -5.036 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.280 1.111 -4.961 1.00 0.00 C ATOM 0 H ILE A 33 -5.650 1.803 -5.343 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.652 -0.432 -6.990 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.771 0.351 -4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.200 0.457 -6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.968 1.850 -6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.088 -1.426 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.746 -2.069 -4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.798 -1.849 -6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.586 1.769 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.575 1.570 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.795 0.155 -4.763 1.00 0.00 H new ATOM 518 N HIS A 34 -5.990 -2.149 -5.757 1.00 0.00 N ATOM 519 CA HIS A 34 -6.928 -3.104 -5.177 1.00 0.00 C ATOM 520 C HIS A 34 -6.245 -3.931 -4.093 1.00 0.00 C ATOM 521 O HIS A 34 -5.221 -4.570 -4.339 1.00 0.00 O ATOM 522 CB HIS A 34 -7.491 -4.021 -6.265 1.00 0.00 C ATOM 523 CG HIS A 34 -8.273 -3.297 -7.316 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.720 -2.863 -8.503 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.576 -2.931 -7.356 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.649 -2.263 -9.227 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.784 -2.292 -8.554 1.00 0.00 N ATOM 0 H HIS A 34 -5.436 -2.520 -6.529 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.750 -2.550 -4.725 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.668 -4.555 -6.740 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.131 -4.771 -5.800 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.315 -3.109 -6.588 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.504 -1.824 -10.203 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.672 -1.903 -8.872 1.00 0.00 H new ATOM 536 N VAL A 35 -6.818 -3.917 -2.893 1.00 0.00 N ATOM 537 CA VAL A 35 -6.260 -4.657 -1.766 1.00 0.00 C ATOM 538 C VAL A 35 -6.515 -6.157 -1.896 1.00 0.00 C ATOM 539 O VAL A 35 -7.595 -6.583 -2.304 1.00 0.00 O ATOM 540 CB VAL A 35 -6.843 -4.156 -0.429 1.00 0.00 C ATOM 541 CG1 VAL A 35 -6.267 -4.939 0.741 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.581 -2.667 -0.259 1.00 0.00 C ATOM 0 H VAL A 35 -7.670 -3.400 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.184 -4.483 -1.777 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.921 -4.317 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.693 -4.567 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.510 -5.995 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.184 -4.816 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.999 -2.330 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.507 -2.483 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.049 -2.119 -1.077 1.00 0.00 H new ATOM 552 N THR A 36 -5.508 -6.951 -1.548 1.00 0.00 N ATOM 553 CA THR A 36 -5.615 -8.403 -1.613 1.00 0.00 C ATOM 554 C THR A 36 -5.417 -9.016 -0.233 1.00 0.00 C ATOM 555 O THR A 36 -5.851 -10.138 0.031 1.00 0.00 O ATOM 556 CB THR A 36 -4.581 -9.002 -2.583 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.259 -8.619 -2.188 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.843 -8.540 -4.007 1.00 0.00 C ATOM 0 H THR A 36 -4.605 -6.611 -1.217 1.00 0.00 H new ATOM 0 HA THR A 36 -6.615 -8.637 -1.979 1.00 0.00 H new ATOM 0 HB THR A 36 -4.670 -10.088 -2.548 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.298 -7.779 -1.685 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.099 -8.976 -4.674 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.839 -8.859 -4.316 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.779 -7.453 -4.054 1.00 0.00 H new ATOM 566 N ARG A 37 -4.755 -8.266 0.641 1.00 0.00 N ATOM 567 CA ARG A 37 -4.492 -8.715 2.001 1.00 0.00 C ATOM 568 C ARG A 37 -4.381 -7.521 2.942 1.00 0.00 C ATOM 569 O ARG A 37 -3.389 -6.791 2.917 1.00 0.00 O ATOM 570 CB ARG A 37 -3.206 -9.542 2.047 1.00 0.00 C ATOM 571 CG ARG A 37 -2.848 -10.037 3.439 1.00 0.00 C ATOM 572 CD ARG A 37 -1.586 -10.882 3.418 1.00 0.00 C ATOM 573 NE ARG A 37 -1.091 -11.160 4.763 1.00 0.00 N ATOM 574 CZ ARG A 37 0.085 -11.725 5.014 1.00 0.00 C ATOM 575 NH1 ARG A 37 0.875 -12.094 4.013 1.00 0.00 N ATOM 576 NH2 ARG A 37 0.473 -11.924 6.265 1.00 0.00 N ATOM 0 H ARG A 37 -4.389 -7.338 0.429 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.324 -9.340 2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.312 -10.399 1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.383 -8.940 1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.707 -9.186 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.674 -10.623 3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.788 -11.822 2.905 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.814 -10.366 2.847 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.682 -10.906 5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.580 -11.944 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.777 -12.528 4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.131 -11.643 7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.376 -12.358 6.456 1.00 0.00 H new ATOM 590 N VAL A 38 -5.403 -7.324 3.768 1.00 0.00 N ATOM 591 CA VAL A 38 -5.417 -6.211 4.708 1.00 0.00 C ATOM 592 C VAL A 38 -5.289 -6.698 6.149 1.00 0.00 C ATOM 593 O VAL A 38 -6.184 -7.360 6.677 1.00 0.00 O ATOM 594 CB VAL A 38 -6.699 -5.363 4.556 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.937 -6.247 4.557 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.786 -4.314 5.654 1.00 0.00 C ATOM 0 H VAL A 38 -6.230 -7.920 3.805 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.555 -5.586 4.473 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.651 -4.848 3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.827 -5.627 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.882 -6.951 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.990 -6.797 5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.697 -3.729 5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.804 -4.806 6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.920 -3.655 5.597 1.00 0.00 H new ATOM 650 N TRP A 43 1.585 -3.314 6.801 1.00 0.00 N ATOM 651 CA TRP A 43 1.838 -3.371 5.366 1.00 0.00 C ATOM 652 C TRP A 43 0.723 -4.114 4.639 1.00 0.00 C ATOM 653 O TRP A 43 0.342 -5.217 5.031 1.00 0.00 O ATOM 654 CB TRP A 43 3.174 -4.061 5.092 1.00 0.00 C ATOM 655 CG TRP A 43 4.346 -3.130 5.117 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.095 -2.777 6.203 1.00 0.00 C ATOM 657 CD2 TRP A 43 4.906 -2.438 3.998 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.093 -1.912 5.823 1.00 0.00 N ATOM 659 CE2 TRP A 43 5.998 -1.688 4.474 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.593 -2.384 2.636 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.776 -0.892 3.637 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.366 -1.593 1.807 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.448 -0.858 2.310 1.00 0.00 C ATOM 0 HA TRP A 43 1.873 -2.347 4.993 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.327 -4.845 5.834 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.129 -4.548 4.118 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.928 -3.126 7.211 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.791 -1.503 6.444 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.763 -2.950 2.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.609 -0.322 4.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.132 -1.540 0.754 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.035 -0.252 1.636 1.00 0.00 H new ATOM 674 N TRP A 44 0.206 -3.503 3.578 1.00 0.00 N ATOM 675 CA TRP A 44 -0.863 -4.111 2.790 1.00 0.00 C ATOM 676 C TRP A 44 -0.383 -4.424 1.376 1.00 0.00 C ATOM 677 O TRP A 44 0.298 -3.614 0.749 1.00 0.00 O ATOM 678 CB TRP A 44 -2.080 -3.183 2.727 1.00 0.00 C ATOM 679 CG TRP A 44 -2.698 -2.878 4.062 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.384 -3.434 5.271 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.750 -1.941 4.315 1.00 0.00 C ATOM 682 NE1 TRP A 44 -3.171 -2.894 6.258 1.00 0.00 N ATOM 683 CE2 TRP A 44 -4.020 -1.976 5.697 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.490 -1.072 3.507 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.996 -1.176 6.285 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.460 -0.280 4.092 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.705 -0.336 5.470 1.00 0.00 C ATOM 0 H TRP A 44 0.509 -2.588 3.243 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.150 -5.042 3.278 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.783 -2.246 2.255 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.835 -3.638 2.086 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.627 -4.188 5.427 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.130 -3.137 7.248 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.307 -1.021 2.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.187 -1.217 7.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.038 0.393 3.477 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.469 0.296 5.898 1.00 0.00 H new ATOM 698 N GLU A 45 -0.744 -5.604 0.881 1.00 0.00 N ATOM 699 CA GLU A 45 -0.360 -6.024 -0.463 1.00 0.00 C ATOM 700 C GLU A 45 -1.551 -5.949 -1.413 1.00 0.00 C ATOM 701 O GLU A 45 -2.697 -6.137 -1.002 1.00 0.00 O ATOM 702 CB GLU A 45 0.191 -7.452 -0.438 1.00 0.00 C ATOM 703 CG GLU A 45 0.758 -7.912 -1.772 1.00 0.00 C ATOM 704 CD GLU A 45 1.192 -9.365 -1.751 1.00 0.00 C ATOM 705 OE1 GLU A 45 2.356 -9.632 -1.387 1.00 0.00 O ATOM 706 OE2 GLU A 45 0.367 -10.235 -2.100 1.00 0.00 O ATOM 0 H GLU A 45 -1.303 -6.288 1.391 1.00 0.00 H new ATOM 0 HA GLU A 45 0.417 -5.347 -0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.971 -7.518 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.604 -8.134 -0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.007 -7.772 -2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.610 -7.286 -2.036 1.00 0.00 H new ATOM 713 N GLY A 46 -1.274 -5.673 -2.683 1.00 0.00 N ATOM 714 CA GLY A 46 -2.333 -5.577 -3.672 1.00 0.00 C ATOM 715 C GLY A 46 -1.816 -5.701 -5.092 1.00 0.00 C ATOM 716 O GLY A 46 -0.691 -6.150 -5.313 1.00 0.00 O ATOM 0 H GLY A 46 -0.334 -5.514 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.070 -6.359 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.846 -4.622 -3.558 1.00 0.00 H new ATOM 720 N THR A 47 -2.637 -5.297 -6.057 1.00 0.00 N ATOM 721 CA THR A 47 -2.260 -5.365 -7.464 1.00 0.00 C ATOM 722 C THR A 47 -2.492 -4.027 -8.165 1.00 0.00 C ATOM 723 O THR A 47 -3.412 -3.285 -7.819 1.00 0.00 O ATOM 724 CB THR A 47 -3.048 -6.466 -8.202 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.746 -7.747 -7.636 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.721 -6.473 -9.688 1.00 0.00 C ATOM 0 H THR A 47 -3.569 -4.919 -5.889 1.00 0.00 H new ATOM 0 HA THR A 47 -1.197 -5.605 -7.496 1.00 0.00 H new ATOM 0 HB THR A 47 -4.111 -6.256 -8.085 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.251 -8.441 -8.109 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.291 -7.259 -10.182 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.982 -5.508 -10.122 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.655 -6.657 -9.825 1.00 0.00 H new ATOM 734 N LEU A 48 -1.650 -3.730 -9.152 1.00 0.00 N ATOM 735 CA LEU A 48 -1.762 -2.489 -9.910 1.00 0.00 C ATOM 736 C LEU A 48 -1.257 -2.686 -11.338 1.00 0.00 C ATOM 737 O LEU A 48 -0.564 -3.660 -11.630 1.00 0.00 O ATOM 738 CB LEU A 48 -0.987 -1.363 -9.216 1.00 0.00 C ATOM 739 CG LEU A 48 -1.204 0.039 -9.801 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.688 0.344 -9.928 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.522 1.089 -8.938 1.00 0.00 C ATOM 0 H LEU A 48 -0.882 -4.334 -9.445 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.814 -2.206 -9.953 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.267 -1.347 -8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.077 -1.596 -9.259 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.760 0.065 -10.796 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.820 1.343 -10.345 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.155 -0.388 -10.586 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.155 0.297 -8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.687 2.077 -9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.938 1.058 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.548 0.886 -8.895 1.00 0.00 H new ATOM 753 N ASN A 49 -1.619 -1.763 -12.225 1.00 0.00 N ATOM 754 CA ASN A 49 -1.210 -1.841 -13.626 1.00 0.00 C ATOM 755 C ASN A 49 0.305 -1.967 -13.767 1.00 0.00 C ATOM 756 O ASN A 49 1.047 -1.029 -13.477 1.00 0.00 O ATOM 757 CB ASN A 49 -1.705 -0.611 -14.392 1.00 0.00 C ATOM 758 CG ASN A 49 -1.382 0.687 -13.680 1.00 0.00 C ATOM 759 OD1 ASN A 49 -0.305 1.255 -13.855 1.00 0.00 O ATOM 760 ND2 ASN A 49 -2.320 1.167 -12.872 1.00 0.00 N ATOM 0 H ASN A 49 -2.195 -0.952 -11.999 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.661 -2.738 -14.050 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.253 -0.599 -15.384 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.783 -0.685 -14.533 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.161 2.039 -12.368 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.199 0.664 -12.756 1.00 0.00 H new ATOM 767 N GLY A 50 0.754 -3.139 -14.214 1.00 0.00 N ATOM 768 CA GLY A 50 2.176 -3.375 -14.405 1.00 0.00 C ATOM 769 C GLY A 50 2.974 -3.325 -13.114 1.00 0.00 C ATOM 770 O GLY A 50 4.205 -3.343 -13.142 1.00 0.00 O ATOM 0 H GLY A 50 0.156 -3.931 -14.448 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.315 -4.350 -14.872 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.571 -2.631 -15.097 1.00 0.00 H new ATOM 774 N ARG A 51 2.280 -3.264 -11.983 1.00 0.00 N ATOM 775 CA ARG A 51 2.942 -3.211 -10.683 1.00 0.00 C ATOM 776 C ARG A 51 2.288 -4.169 -9.693 1.00 0.00 C ATOM 777 O ARG A 51 1.071 -4.156 -9.513 1.00 0.00 O ATOM 778 CB ARG A 51 2.910 -1.783 -10.135 1.00 0.00 C ATOM 779 CG ARG A 51 3.579 -0.770 -11.051 1.00 0.00 C ATOM 780 CD ARG A 51 3.417 0.649 -10.531 1.00 0.00 C ATOM 781 NE ARG A 51 4.086 1.622 -11.390 1.00 0.00 N ATOM 782 CZ ARG A 51 4.021 2.937 -11.207 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.318 3.435 -10.198 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.662 3.754 -12.031 1.00 0.00 N ATOM 0 H ARG A 51 1.261 -3.250 -11.939 1.00 0.00 H new ATOM 0 HA ARG A 51 3.979 -3.520 -10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.874 -1.487 -9.973 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.402 -1.764 -9.163 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.639 -1.006 -11.142 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.149 -0.843 -12.050 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.357 0.892 -10.464 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.824 0.715 -9.522 1.00 0.00 H new ATOM 0 HE ARG A 51 4.635 1.273 -12.176 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.826 2.808 -9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.269 4.444 -10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.205 3.374 -12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.612 4.763 -11.890 1.00 0.00 H new ATOM 798 N THR A 52 3.106 -5.001 -9.051 1.00 0.00 N ATOM 799 CA THR A 52 2.608 -5.965 -8.075 1.00 0.00 C ATOM 800 C THR A 52 3.547 -6.063 -6.877 1.00 0.00 C ATOM 801 O THR A 52 4.765 -6.150 -7.037 1.00 0.00 O ATOM 802 CB THR A 52 2.442 -7.365 -8.695 1.00 0.00 C ATOM 803 OG1 THR A 52 1.691 -7.279 -9.911 1.00 0.00 O ATOM 804 CG2 THR A 52 1.736 -8.305 -7.726 1.00 0.00 C ATOM 0 H THR A 52 4.116 -5.026 -9.190 1.00 0.00 H new ATOM 0 HA THR A 52 1.633 -5.606 -7.747 1.00 0.00 H new ATOM 0 HB THR A 52 3.434 -7.762 -8.908 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.592 -8.174 -10.298 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.630 -9.288 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.323 -8.393 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.750 -7.907 -7.487 1.00 0.00 H new ATOM 812 N GLY A 53 2.976 -6.049 -5.677 1.00 0.00 N ATOM 813 CA GLY A 53 3.782 -6.140 -4.473 1.00 0.00 C ATOM 814 C GLY A 53 3.139 -5.452 -3.284 1.00 0.00 C ATOM 815 O GLY A 53 1.973 -5.058 -3.340 1.00 0.00 O ATOM 0 H GLY A 53 1.971 -5.976 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.951 -7.190 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.759 -5.695 -4.660 1.00 0.00 H new ATOM 819 N TRP A 54 3.904 -5.309 -2.206 1.00 0.00 N ATOM 820 CA TRP A 54 3.413 -4.665 -0.993 1.00 0.00 C ATOM 821 C TRP A 54 3.482 -3.146 -1.111 1.00 0.00 C ATOM 822 O TRP A 54 4.238 -2.611 -1.923 1.00 0.00 O ATOM 823 CB TRP A 54 4.229 -5.124 0.217 1.00 0.00 C ATOM 824 CG TRP A 54 4.142 -6.596 0.477 1.00 0.00 C ATOM 825 CD1 TRP A 54 4.808 -7.587 -0.184 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.343 -7.244 1.475 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.472 -8.812 0.340 1.00 0.00 N ATOM 828 CE2 TRP A 54 3.574 -8.628 1.359 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.455 -6.789 2.453 1.00 0.00 C ATOM 830 CZ2 TRP A 54 2.951 -9.558 2.186 1.00 0.00 C ATOM 831 CZ3 TRP A 54 1.837 -7.714 3.274 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.086 -9.084 3.136 1.00 0.00 C ATOM 0 H TRP A 54 4.870 -5.632 -2.148 1.00 0.00 H new ATOM 0 HA TRP A 54 2.371 -4.955 -0.858 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.273 -4.852 0.064 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.885 -4.587 1.101 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.498 -7.431 -1.000 1.00 0.00 H new ATOM 0 HE1 TRP A 54 4.832 -9.712 0.022 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.255 -5.734 2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.143 -10.616 2.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.150 -7.373 4.035 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.586 -9.781 3.792 1.00 0.00 H new ATOM 843 N PHE A 55 2.695 -2.457 -0.291 1.00 0.00 N ATOM 844 CA PHE A 55 2.672 -0.999 -0.298 1.00 0.00 C ATOM 845 C PHE A 55 2.363 -0.452 1.097 1.00 0.00 C ATOM 846 O PHE A 55 1.542 -1.015 1.821 1.00 0.00 O ATOM 847 CB PHE A 55 1.652 -0.477 -1.315 1.00 0.00 C ATOM 848 CG PHE A 55 0.258 -1.011 -1.128 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.619 -0.407 -0.241 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.179 -2.111 -1.850 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.905 -0.889 -0.077 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.463 -2.599 -1.690 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.327 -1.988 -0.802 1.00 0.00 C ATOM 0 H PHE A 55 2.065 -2.885 0.387 1.00 0.00 H new ATOM 0 HA PHE A 55 3.662 -0.649 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.622 0.611 -1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.994 -0.732 -2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.294 0.451 0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.492 -2.593 -2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.579 -0.408 0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.790 -3.457 -2.259 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.330 -2.368 -0.674 1.00 0.00 H new ATOM 863 N PRO A 56 3.026 0.653 1.495 1.00 0.00 N ATOM 864 CA PRO A 56 2.818 1.268 2.813 1.00 0.00 C ATOM 865 C PRO A 56 1.351 1.580 3.081 1.00 0.00 C ATOM 866 O PRO A 56 0.611 1.946 2.170 1.00 0.00 O ATOM 867 CB PRO A 56 3.634 2.562 2.741 1.00 0.00 C ATOM 868 CG PRO A 56 4.670 2.301 1.704 1.00 0.00 C ATOM 869 CD PRO A 56 4.024 1.392 0.697 1.00 0.00 C ATOM 0 HA PRO A 56 3.122 0.603 3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.007 3.411 2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.088 2.797 3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.999 3.230 1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.552 1.835 2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.556 1.955 -0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.749 0.720 0.238 1.00 0.00 H new ATOM 877 N SER A 57 0.938 1.433 4.337 1.00 0.00 N ATOM 878 CA SER A 57 -0.443 1.700 4.724 1.00 0.00 C ATOM 879 C SER A 57 -0.618 3.153 5.153 1.00 0.00 C ATOM 880 O SER A 57 -1.738 3.659 5.223 1.00 0.00 O ATOM 881 CB SER A 57 -0.865 0.769 5.863 1.00 0.00 C ATOM 882 OG SER A 57 -0.099 1.011 7.031 1.00 0.00 O ATOM 0 H SER A 57 1.540 1.131 5.103 1.00 0.00 H new ATOM 0 HA SER A 57 -1.077 1.516 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.923 0.914 6.082 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.743 -0.269 5.553 1.00 0.00 H new ATOM 0 HG SER A 57 -0.389 0.405 7.744 1.00 0.00 H new ATOM 888 N ASN A 58 0.497 3.819 5.438 1.00 0.00 N ATOM 889 CA ASN A 58 0.466 5.214 5.861 1.00 0.00 C ATOM 890 C ASN A 58 0.461 6.146 4.654 1.00 0.00 C ATOM 891 O ASN A 58 0.040 7.300 4.750 1.00 0.00 O ATOM 892 CB ASN A 58 1.666 5.524 6.759 1.00 0.00 C ATOM 893 CG ASN A 58 1.665 4.698 8.031 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.610 4.310 8.534 1.00 0.00 O ATOM 895 ND2 ASN A 58 2.852 4.425 8.561 1.00 0.00 N ATOM 0 H ASN A 58 1.432 3.415 5.384 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.451 5.378 6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.587 5.336 6.208 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.659 6.583 7.017 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.914 3.874 9.417 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.702 4.766 8.112 1.00 0.00 H new ATOM 902 N TYR A 59 0.929 5.637 3.520 1.00 0.00 N ATOM 903 CA TYR A 59 0.974 6.420 2.291 1.00 0.00 C ATOM 904 C TYR A 59 -0.270 6.181 1.444 1.00 0.00 C ATOM 905 O TYR A 59 -0.413 6.744 0.360 1.00 0.00 O ATOM 906 CB TYR A 59 2.232 6.078 1.488 1.00 0.00 C ATOM 907 CG TYR A 59 3.419 6.958 1.812 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.802 7.186 3.128 1.00 0.00 C ATOM 909 CD2 TYR A 59 4.153 7.562 0.799 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.885 7.992 3.425 1.00 0.00 C ATOM 911 CE2 TYR A 59 5.237 8.370 1.089 1.00 0.00 C ATOM 912 CZ TYR A 59 5.599 8.581 2.403 1.00 0.00 C ATOM 913 OH TYR A 59 6.677 9.383 2.695 1.00 0.00 O ATOM 0 H TYR A 59 1.283 4.685 3.426 1.00 0.00 H new ATOM 0 HA TYR A 59 1.003 7.475 2.564 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.500 5.038 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.008 6.163 0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.245 6.726 3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.873 7.398 -0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.171 8.160 4.453 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.797 8.834 0.291 1.00 0.00 H new ATOM 0 HH TYR A 59 7.070 9.719 1.862 1.00 0.00 H new ATOM 923 N VAL A 60 -1.163 5.335 1.945 1.00 0.00 N ATOM 924 CA VAL A 60 -2.402 5.023 1.244 1.00 0.00 C ATOM 925 C VAL A 60 -3.599 5.149 2.182 1.00 0.00 C ATOM 926 O VAL A 60 -3.484 4.906 3.384 1.00 0.00 O ATOM 927 CB VAL A 60 -2.368 3.605 0.638 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.218 3.472 -0.348 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.265 2.552 1.732 1.00 0.00 C ATOM 0 H VAL A 60 -1.051 4.852 2.836 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.503 5.743 0.432 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.301 3.442 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.211 2.465 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.343 4.197 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.275 3.659 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.243 1.560 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.352 2.711 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.127 2.630 2.394 1.00 0.00 H new ATOM 939 N ARG A 61 -4.747 5.531 1.631 1.00 0.00 N ATOM 940 CA ARG A 61 -5.958 5.691 2.429 1.00 0.00 C ATOM 941 C ARG A 61 -7.161 5.075 1.724 1.00 0.00 C ATOM 942 O ARG A 61 -7.331 5.228 0.514 1.00 0.00 O ATOM 943 CB ARG A 61 -6.215 7.173 2.725 1.00 0.00 C ATOM 944 CG ARG A 61 -6.411 8.030 1.483 1.00 0.00 C ATOM 945 CD ARG A 61 -7.883 8.184 1.135 1.00 0.00 C ATOM 946 NE ARG A 61 -8.624 8.870 2.189 1.00 0.00 N ATOM 947 CZ ARG A 61 -9.943 9.029 2.182 1.00 0.00 C ATOM 948 NH1 ARG A 61 -10.666 8.551 1.178 1.00 0.00 N ATOM 949 NH2 ARG A 61 -10.541 9.666 3.180 1.00 0.00 N ATOM 0 H ARG A 61 -4.864 5.735 0.638 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.811 5.167 3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.100 7.258 3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.376 7.569 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.970 9.014 1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.883 7.579 0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.979 8.741 0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.321 7.200 0.965 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.099 9.249 2.977 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.209 8.060 0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.679 8.674 1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.988 10.034 3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.554 9.787 3.173 1.00 0.00 H new ATOM 963 N GLU A 62 -7.984 4.368 2.491 1.00 0.00 N ATOM 964 CA GLU A 62 -9.174 3.716 1.954 1.00 0.00 C ATOM 965 C GLU A 62 -10.037 4.706 1.178 1.00 0.00 C ATOM 966 O GLU A 62 -10.603 5.636 1.753 1.00 0.00 O ATOM 967 CB GLU A 62 -9.988 3.089 3.086 1.00 0.00 C ATOM 968 CG GLU A 62 -11.156 2.244 2.605 1.00 0.00 C ATOM 969 CD GLU A 62 -11.955 1.651 3.748 1.00 0.00 C ATOM 970 OE1 GLU A 62 -11.520 0.623 4.306 1.00 0.00 O ATOM 971 OE2 GLU A 62 -13.017 2.216 4.086 1.00 0.00 O ATOM 0 H GLU A 62 -7.848 4.231 3.493 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.851 2.932 1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.329 2.469 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.366 3.882 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.812 2.856 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.781 1.439 1.972 1.00 0.00 H new ATOM 978 N VAL A 63 -10.134 4.496 -0.131 1.00 0.00 N ATOM 979 CA VAL A 63 -10.927 5.367 -0.990 1.00 0.00 C ATOM 980 C VAL A 63 -12.301 4.761 -1.262 1.00 0.00 C ATOM 981 O VAL A 63 -12.446 3.541 -1.345 1.00 0.00 O ATOM 982 CB VAL A 63 -10.211 5.634 -2.330 1.00 0.00 C ATOM 983 CG1 VAL A 63 -10.004 4.339 -3.101 1.00 0.00 C ATOM 984 CG2 VAL A 63 -10.988 6.641 -3.165 1.00 0.00 C ATOM 0 H VAL A 63 -9.672 3.729 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.051 6.313 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.231 6.058 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.497 4.553 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.395 3.656 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.971 3.879 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.465 6.814 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.985 6.251 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.072 7.580 -2.618 1.00 0.00 H new