USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 305 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -49:sc= 0.332 USER MOD Single : A 28 TYR OH : rot 15:sc= 0.833 USER MOD Single : A 30 ASN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 60:sc= -0.962 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N VAL A 6 -1.796 -13.175 -0.271 1.00 0.00 N ATOM 76 CA VAL A 6 -1.171 -12.055 0.457 1.00 0.00 C ATOM 77 C VAL A 6 -1.364 -10.744 -0.302 1.00 0.00 C ATOM 78 O VAL A 6 -1.805 -9.765 0.287 1.00 0.00 O ATOM 79 CB VAL A 6 0.322 -12.288 0.791 1.00 0.00 C ATOM 80 CG1 VAL A 6 1.310 -12.034 -0.358 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.735 -11.426 1.994 1.00 0.00 C ATOM 0 HA VAL A 6 -1.684 -11.991 1.416 1.00 0.00 H new ATOM 0 HB VAL A 6 0.386 -13.354 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.326 -12.227 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.077 -12.697 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.229 -10.997 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.787 -11.598 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.582 -10.373 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.129 -11.695 2.859 1.00 0.00 H new ATOM 91 N LYS A 7 -1.119 -10.740 -1.616 1.00 0.00 N ATOM 92 CA LYS A 7 -1.204 -9.544 -2.462 1.00 0.00 C ATOM 93 C LYS A 7 -2.620 -8.950 -2.454 1.00 0.00 C ATOM 94 O LYS A 7 -2.776 -7.750 -2.246 1.00 0.00 O ATOM 95 CB LYS A 7 -0.744 -9.854 -3.900 1.00 0.00 C ATOM 96 CG LYS A 7 0.732 -10.307 -3.982 1.00 0.00 C ATOM 97 CD LYS A 7 1.630 -9.343 -4.782 1.00 0.00 C ATOM 98 CE LYS A 7 2.951 -9.032 -4.058 1.00 0.00 C ATOM 99 NZ LYS A 7 4.130 -9.601 -4.743 1.00 0.00 N ATOM 0 H LYS A 7 -0.852 -11.580 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.531 -8.795 -2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.381 -10.634 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.880 -8.966 -4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.129 -10.406 -2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.775 -11.295 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.848 -9.779 -5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.090 -8.413 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.070 -7.951 -3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.903 -9.424 -3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.990 -9.360 -4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.035 -10.635 -4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.196 -9.209 -5.704 1.00 0.00 H new ATOM 113 N ASP A 8 -3.651 -9.793 -2.599 1.00 0.00 N ATOM 114 CA ASP A 8 -5.071 -9.399 -2.552 1.00 0.00 C ATOM 115 C ASP A 8 -5.467 -8.733 -1.217 1.00 0.00 C ATOM 116 O ASP A 8 -6.130 -7.691 -1.197 1.00 0.00 O ATOM 117 CB ASP A 8 -5.948 -10.637 -2.851 1.00 0.00 C ATOM 118 CG ASP A 8 -7.059 -10.359 -3.887 1.00 0.00 C ATOM 119 OD1 ASP A 8 -6.739 -10.170 -5.086 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.255 -10.355 -3.508 1.00 0.00 O ATOM 0 H ASP A 8 -3.521 -10.792 -2.756 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.237 -8.639 -3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.313 -11.444 -3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.403 -10.984 -1.924 1.00 0.00 H new ATOM 125 N MET A 9 -4.995 -9.290 -0.097 1.00 0.00 N ATOM 126 CA MET A 9 -5.140 -8.672 1.231 1.00 0.00 C ATOM 127 C MET A 9 -4.412 -7.323 1.341 1.00 0.00 C ATOM 128 O MET A 9 -4.989 -6.349 1.831 1.00 0.00 O ATOM 129 CB MET A 9 -4.643 -9.622 2.330 1.00 0.00 C ATOM 130 CG MET A 9 -5.718 -10.647 2.692 1.00 0.00 C ATOM 131 SD MET A 9 -5.257 -11.720 4.080 1.00 0.00 S ATOM 132 CE MET A 9 -6.912 -12.115 4.708 1.00 0.00 C ATOM 0 H MET A 9 -4.501 -10.182 -0.082 1.00 0.00 H new ATOM 0 HA MET A 9 -6.204 -8.481 1.367 1.00 0.00 H new ATOM 0 HB2 MET A 9 -3.743 -10.136 1.992 1.00 0.00 H new ATOM 0 HB3 MET A 9 -4.369 -9.048 3.215 1.00 0.00 H new ATOM 0 HG2 MET A 9 -6.641 -10.122 2.940 1.00 0.00 H new ATOM 0 HG3 MET A 9 -5.928 -11.265 1.819 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.826 -12.773 5.572 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.419 -11.196 5.001 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.488 -12.614 3.928 1.00 0.00 H new ATOM 142 N GLU A 10 -3.173 -7.217 0.852 1.00 0.00 N ATOM 143 CA GLU A 10 -2.422 -5.948 0.804 1.00 0.00 C ATOM 144 C GLU A 10 -3.136 -4.874 -0.012 1.00 0.00 C ATOM 145 O GLU A 10 -3.063 -3.710 0.367 1.00 0.00 O ATOM 146 CB GLU A 10 -0.999 -6.126 0.256 1.00 0.00 C ATOM 147 CG GLU A 10 -0.212 -7.272 0.908 1.00 0.00 C ATOM 148 CD GLU A 10 1.132 -6.835 1.452 1.00 0.00 C ATOM 149 OE1 GLU A 10 1.150 -6.256 2.560 1.00 0.00 O ATOM 150 OE2 GLU A 10 2.153 -7.139 0.794 1.00 0.00 O ATOM 0 H GLU A 10 -2.655 -8.011 0.475 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.362 -5.619 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.055 -6.304 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.448 -5.196 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.805 -7.697 1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.060 -8.064 0.175 1.00 0.00 H new ATOM 157 N ILE A 11 -3.901 -5.233 -1.051 1.00 0.00 N ATOM 158 CA ILE A 11 -4.728 -4.272 -1.803 1.00 0.00 C ATOM 159 C ILE A 11 -5.819 -3.650 -0.911 1.00 0.00 C ATOM 160 O ILE A 11 -6.007 -2.432 -0.919 1.00 0.00 O ATOM 161 CB ILE A 11 -5.394 -4.901 -3.057 1.00 0.00 C ATOM 162 CG1 ILE A 11 -4.417 -5.583 -4.038 1.00 0.00 C ATOM 163 CG2 ILE A 11 -6.208 -3.840 -3.822 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.067 -4.883 -4.180 1.00 0.00 C ATOM 0 H ILE A 11 -3.966 -6.191 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.042 -3.494 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.038 -5.688 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.247 -6.608 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.888 -5.638 -5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.668 -4.297 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.985 -3.439 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.547 -3.033 -4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.446 -5.431 -4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.221 -3.867 -4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.570 -4.851 -3.210 1.00 0.00 H new ATOM 176 N ALA A 12 -6.519 -4.456 -0.104 1.00 0.00 N ATOM 177 CA ALA A 12 -7.497 -3.939 0.869 1.00 0.00 C ATOM 178 C ALA A 12 -6.874 -2.925 1.862 1.00 0.00 C ATOM 179 O ALA A 12 -7.461 -1.880 2.168 1.00 0.00 O ATOM 180 CB ALA A 12 -8.168 -5.113 1.595 1.00 0.00 C ATOM 0 H ALA A 12 -6.428 -5.472 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.257 -3.381 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.891 -4.730 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.678 -5.746 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.411 -5.698 2.118 1.00 0.00 H new ATOM 186 N ARG A 13 -5.636 -3.173 2.298 1.00 0.00 N ATOM 187 CA ARG A 13 -4.868 -2.210 3.091 1.00 0.00 C ATOM 188 C ARG A 13 -4.668 -0.847 2.387 1.00 0.00 C ATOM 189 O ARG A 13 -4.819 0.196 3.025 1.00 0.00 O ATOM 190 CB ARG A 13 -3.512 -2.823 3.470 1.00 0.00 C ATOM 191 CG ARG A 13 -3.471 -3.436 4.873 1.00 0.00 C ATOM 192 CD ARG A 13 -3.888 -4.914 4.866 1.00 0.00 C ATOM 193 NE ARG A 13 -4.497 -5.338 6.139 1.00 0.00 N ATOM 194 CZ ARG A 13 -3.970 -5.323 7.354 1.00 0.00 C ATOM 195 NH1 ARG A 13 -2.746 -4.935 7.595 1.00 0.00 N ATOM 196 NH2 ARG A 13 -4.691 -5.703 8.372 1.00 0.00 N ATOM 0 H ARG A 13 -5.139 -4.044 2.112 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.452 -2.000 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.258 -3.593 2.742 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.745 -2.052 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.464 -3.345 5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.133 -2.875 5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.596 -5.084 4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.014 -5.533 4.662 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.452 -5.690 6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.149 -4.625 6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.387 -4.942 8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.654 -6.009 8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.292 -5.694 9.311 1.00 0.00 H new ATOM 210 N LEU A 14 -4.404 -0.826 1.074 1.00 0.00 N ATOM 211 CA LEU A 14 -4.306 0.410 0.268 1.00 0.00 C ATOM 212 C LEU A 14 -5.609 1.212 0.285 1.00 0.00 C ATOM 213 O LEU A 14 -5.606 2.438 0.378 1.00 0.00 O ATOM 214 CB LEU A 14 -3.982 0.101 -1.206 1.00 0.00 C ATOM 215 CG LEU A 14 -2.903 -0.949 -1.443 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.729 -1.165 -2.940 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.581 -0.637 -0.750 1.00 0.00 C ATOM 0 H LEU A 14 -4.250 -1.675 0.530 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.504 0.991 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.897 -0.229 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.674 1.027 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.240 -1.877 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.958 -1.916 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.670 -1.507 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.434 -0.227 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.862 -1.428 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.194 0.314 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.741 -0.574 0.326 1.00 0.00 H new ATOM 229 N MET A 15 -6.733 0.501 0.219 1.00 0.00 N ATOM 230 CA MET A 15 -8.077 1.070 0.330 1.00 0.00 C ATOM 231 C MET A 15 -8.355 1.719 1.698 1.00 0.00 C ATOM 232 O MET A 15 -9.215 2.596 1.789 1.00 0.00 O ATOM 233 CB MET A 15 -9.118 -0.018 0.040 1.00 0.00 C ATOM 234 CG MET A 15 -10.203 0.507 -0.899 1.00 0.00 C ATOM 235 SD MET A 15 -11.486 -0.717 -1.272 1.00 0.00 S ATOM 236 CE MET A 15 -12.156 0.027 -2.780 1.00 0.00 C ATOM 0 H MET A 15 -6.736 -0.510 0.084 1.00 0.00 H new ATOM 0 HA MET A 15 -8.146 1.870 -0.407 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.631 -0.884 -0.408 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.570 -0.354 0.973 1.00 0.00 H new ATOM 0 HG2 MET A 15 -10.668 1.385 -0.450 1.00 0.00 H new ATOM 0 HG3 MET A 15 -9.740 0.833 -1.831 1.00 0.00 H new ATOM 0 HE1 MET A 15 -12.967 -0.593 -3.162 1.00 0.00 H new ATOM 0 HE2 MET A 15 -12.536 1.024 -2.556 1.00 0.00 H new ATOM 0 HE3 MET A 15 -11.369 0.098 -3.531 1.00 0.00 H new ATOM 246 N SER A 16 -7.622 1.334 2.752 1.00 0.00 N ATOM 247 CA SER A 16 -7.653 2.050 4.032 1.00 0.00 C ATOM 248 C SER A 16 -6.963 3.433 3.905 1.00 0.00 C ATOM 249 O SER A 16 -7.615 4.464 4.091 1.00 0.00 O ATOM 250 CB SER A 16 -7.004 1.191 5.133 1.00 0.00 C ATOM 251 OG SER A 16 -7.711 1.316 6.354 1.00 0.00 O ATOM 0 H SER A 16 -6.998 0.527 2.741 1.00 0.00 H new ATOM 0 HA SER A 16 -8.691 2.230 4.312 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.988 0.146 4.823 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.968 1.497 5.275 1.00 0.00 H new ATOM 0 HG SER A 16 -7.282 0.761 7.038 1.00 0.00 H new ATOM 257 N LEU A 17 -5.675 3.481 3.511 1.00 0.00 N ATOM 258 CA LEU A 17 -4.951 4.744 3.264 1.00 0.00 C ATOM 259 C LEU A 17 -5.608 5.684 2.219 1.00 0.00 C ATOM 260 O LEU A 17 -5.503 6.909 2.341 1.00 0.00 O ATOM 261 CB LEU A 17 -3.489 4.481 2.837 1.00 0.00 C ATOM 262 CG LEU A 17 -2.525 3.909 3.899 1.00 0.00 C ATOM 263 CD1 LEU A 17 -2.695 2.420 4.149 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.078 4.256 3.534 1.00 0.00 C ATOM 0 H LEU A 17 -5.108 2.647 3.355 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.990 5.259 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.505 3.792 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.071 5.420 2.475 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.784 4.385 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.983 2.095 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.709 2.223 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.515 1.873 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.405 3.849 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.835 3.827 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.963 5.339 3.492 1.00 0.00 H new ATOM 276 N GLY A 18 -6.275 5.128 1.202 1.00 0.00 N ATOM 277 CA GLY A 18 -6.981 5.870 0.146 1.00 0.00 C ATOM 278 C GLY A 18 -6.179 6.028 -1.151 1.00 0.00 C ATOM 279 O GLY A 18 -5.534 7.070 -1.351 1.00 0.00 O ATOM 0 H GLY A 18 -6.342 4.117 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.917 5.359 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.240 6.859 0.523 1.00 0.00 H new ATOM 283 N LEU A 19 -6.208 5.021 -2.032 1.00 0.00 N ATOM 284 CA LEU A 19 -5.540 5.032 -3.360 1.00 0.00 C ATOM 285 C LEU A 19 -6.562 4.839 -4.513 1.00 0.00 C ATOM 286 O LEU A 19 -7.761 5.152 -4.349 1.00 0.00 O ATOM 287 CB LEU A 19 -4.374 4.000 -3.300 1.00 0.00 C ATOM 288 CG LEU A 19 -3.159 4.492 -2.477 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.199 3.340 -2.174 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.351 5.555 -3.222 1.00 0.00 C ATOM 0 H LEU A 19 -6.706 4.150 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.101 6.002 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.744 3.070 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.048 3.772 -4.315 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.573 4.912 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.354 3.713 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.721 2.573 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.837 2.912 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.509 5.870 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.980 5.140 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.988 6.414 -3.433 1.00 0.00 H new ATOM 302 N SER A 20 -6.105 4.392 -5.682 1.00 0.00 N ATOM 303 CA SER A 20 -6.976 4.090 -6.867 1.00 0.00 C ATOM 304 C SER A 20 -7.463 2.610 -6.828 1.00 0.00 C ATOM 305 O SER A 20 -7.654 2.053 -5.741 1.00 0.00 O ATOM 306 CB SER A 20 -6.145 4.379 -8.137 1.00 0.00 C ATOM 307 OG SER A 20 -5.685 5.723 -8.167 1.00 0.00 O ATOM 0 H SER A 20 -5.115 4.221 -5.857 1.00 0.00 H new ATOM 0 HA SER A 20 -7.870 4.713 -6.858 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.292 3.701 -8.177 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.751 4.181 -9.021 1.00 0.00 H new ATOM 0 HG SER A 20 -5.162 5.872 -8.982 1.00 0.00 H new ATOM 313 N ILE A 21 -7.653 1.949 -7.983 1.00 0.00 N ATOM 314 CA ILE A 21 -8.071 0.526 -8.092 1.00 0.00 C ATOM 315 C ILE A 21 -6.930 -0.324 -8.701 1.00 0.00 C ATOM 316 O ILE A 21 -6.021 -0.713 -7.969 1.00 0.00 O ATOM 317 CB ILE A 21 -9.414 0.396 -8.855 1.00 0.00 C ATOM 318 CG1 ILE A 21 -10.545 1.270 -8.261 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.898 -1.072 -8.881 1.00 0.00 C ATOM 320 CD1 ILE A 21 -11.558 1.685 -9.334 1.00 0.00 C ATOM 0 H ILE A 21 -7.519 2.393 -8.892 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.258 0.128 -7.094 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.206 0.750 -9.865 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -11.055 0.719 -7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.115 2.160 -7.802 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.842 -1.134 -9.422 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.153 -1.692 -9.379 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.041 -1.426 -7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.338 2.297 -8.881 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.051 2.258 -10.110 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.006 0.795 -9.775 1.00 0.00 H new ATOM 332 N GLU A 22 -6.926 -0.568 -10.024 1.00 0.00 N ATOM 333 CA GLU A 22 -5.871 -1.334 -10.730 1.00 0.00 C ATOM 334 C GLU A 22 -4.527 -0.631 -10.612 1.00 0.00 C ATOM 335 O GLU A 22 -3.549 -1.253 -10.199 1.00 0.00 O ATOM 336 CB GLU A 22 -6.233 -1.608 -12.201 1.00 0.00 C ATOM 337 CG GLU A 22 -6.417 -3.102 -12.497 1.00 0.00 C ATOM 338 CD GLU A 22 -7.632 -3.330 -13.387 1.00 0.00 C ATOM 339 OE1 GLU A 22 -7.544 -3.053 -14.604 1.00 0.00 O ATOM 340 OE2 GLU A 22 -8.669 -3.800 -12.866 1.00 0.00 O ATOM 0 H GLU A 22 -7.664 -0.236 -10.645 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.794 -2.306 -10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.152 -1.077 -12.450 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.449 -1.208 -12.844 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.524 -3.494 -12.985 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.536 -3.651 -11.563 1.00 0.00 H new ATOM 347 N GLU A 23 -4.482 0.689 -10.844 1.00 0.00 N ATOM 348 CA GLU A 23 -3.281 1.465 -10.505 1.00 0.00 C ATOM 349 C GLU A 23 -2.835 1.397 -9.061 1.00 0.00 C ATOM 350 O GLU A 23 -1.633 1.342 -8.853 1.00 0.00 O ATOM 351 CB GLU A 23 -3.466 2.942 -10.859 1.00 0.00 C ATOM 352 CG GLU A 23 -2.154 3.670 -11.165 1.00 0.00 C ATOM 353 CD GLU A 23 -1.528 3.184 -12.470 1.00 0.00 C ATOM 354 OE1 GLU A 23 -1.995 3.613 -13.549 1.00 0.00 O ATOM 355 OE2 GLU A 23 -0.552 2.402 -12.415 1.00 0.00 O ATOM 0 H GLU A 23 -5.243 1.230 -11.255 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.502 0.990 -11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.125 3.020 -11.724 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.966 3.445 -10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.339 4.742 -11.228 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.452 3.515 -10.345 1.00 0.00 H new ATOM 362 N ALA A 24 -3.714 1.372 -8.053 1.00 0.00 N ATOM 363 CA ALA A 24 -3.248 1.159 -6.677 1.00 0.00 C ATOM 364 C ALA A 24 -2.505 -0.172 -6.534 1.00 0.00 C ATOM 365 O ALA A 24 -1.402 -0.178 -6.003 1.00 0.00 O ATOM 366 CB ALA A 24 -4.411 1.186 -5.683 1.00 0.00 C ATOM 0 H ALA A 24 -4.722 1.492 -8.156 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.563 1.977 -6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.031 1.025 -4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.910 2.154 -5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.122 0.398 -5.933 1.00 0.00 H new ATOM 372 N THR A 25 -3.068 -1.280 -7.028 1.00 0.00 N ATOM 373 CA THR A 25 -2.396 -2.590 -6.927 1.00 0.00 C ATOM 374 C THR A 25 -0.986 -2.587 -7.539 1.00 0.00 C ATOM 375 O THR A 25 -0.008 -2.972 -6.891 1.00 0.00 O ATOM 376 CB THR A 25 -3.243 -3.767 -7.483 1.00 0.00 C ATOM 377 OG1 THR A 25 -3.109 -3.977 -8.871 1.00 0.00 O ATOM 378 CG2 THR A 25 -4.745 -3.642 -7.210 1.00 0.00 C ATOM 0 H THR A 25 -3.974 -1.302 -7.496 1.00 0.00 H new ATOM 0 HA THR A 25 -2.288 -2.761 -5.856 1.00 0.00 H new ATOM 0 HB THR A 25 -2.827 -4.612 -6.935 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.228 -3.127 -9.343 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.264 -4.503 -7.630 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.917 -3.604 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.124 -2.730 -7.671 1.00 0.00 H new ATOM 386 N GLU A 26 -0.837 -2.045 -8.752 1.00 0.00 N ATOM 387 CA GLU A 26 0.475 -1.892 -9.405 1.00 0.00 C ATOM 388 C GLU A 26 1.368 -0.838 -8.749 1.00 0.00 C ATOM 389 O GLU A 26 2.589 -0.958 -8.832 1.00 0.00 O ATOM 390 CB GLU A 26 0.304 -1.589 -10.899 1.00 0.00 C ATOM 391 CG GLU A 26 1.624 -1.746 -11.655 1.00 0.00 C ATOM 392 CD GLU A 26 1.389 -1.834 -13.156 1.00 0.00 C ATOM 393 OE1 GLU A 26 0.954 -2.909 -13.628 1.00 0.00 O ATOM 394 OE2 GLU A 26 1.680 -0.846 -13.867 1.00 0.00 O ATOM 0 H GLU A 26 -1.618 -1.700 -9.311 1.00 0.00 H new ATOM 0 HA GLU A 26 0.985 -2.847 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.443 -2.259 -11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.071 -0.573 -11.025 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.275 -0.900 -11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.139 -2.643 -11.311 1.00 0.00 H new ATOM 401 N PHE A 27 0.793 0.138 -8.041 1.00 0.00 N ATOM 402 CA PHE A 27 1.560 1.129 -7.285 1.00 0.00 C ATOM 403 C PHE A 27 2.131 0.484 -6.023 1.00 0.00 C ATOM 404 O PHE A 27 3.338 0.486 -5.854 1.00 0.00 O ATOM 405 CB PHE A 27 0.715 2.363 -6.934 1.00 0.00 C ATOM 406 CG PHE A 27 1.519 3.585 -6.525 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.141 4.348 -7.535 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.610 4.003 -5.178 1.00 0.00 C ATOM 409 CE1 PHE A 27 2.823 5.535 -7.216 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.241 5.222 -4.876 1.00 0.00 C ATOM 411 CZ PHE A 27 2.855 5.985 -5.886 1.00 0.00 C ATOM 0 H PHE A 27 -0.217 0.262 -7.976 1.00 0.00 H new ATOM 0 HA PHE A 27 2.380 1.475 -7.914 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.098 2.622 -7.795 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.036 2.103 -6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.093 4.018 -8.562 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.199 3.392 -4.388 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.321 6.099 -7.991 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.255 5.577 -3.856 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.349 6.913 -5.640 1.00 0.00 H new ATOM 421 N TYR A 28 1.320 -0.183 -5.194 1.00 0.00 N ATOM 422 CA TYR A 28 1.718 -0.996 -4.038 1.00 0.00 C ATOM 423 C TYR A 28 2.934 -1.912 -4.269 1.00 0.00 C ATOM 424 O TYR A 28 3.861 -1.895 -3.461 1.00 0.00 O ATOM 425 CB TYR A 28 0.458 -1.789 -3.616 1.00 0.00 C ATOM 426 CG TYR A 28 0.627 -3.222 -3.149 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.257 -3.478 -1.929 1.00 0.00 C ATOM 428 CD2 TYR A 28 0.137 -4.303 -3.908 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.529 -4.801 -1.540 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.382 -5.629 -3.502 1.00 0.00 C ATOM 431 CZ TYR A 28 1.130 -5.875 -2.346 1.00 0.00 C ATOM 432 OH TYR A 28 1.439 -7.151 -1.990 1.00 0.00 O ATOM 0 H TYR A 28 0.308 -0.169 -5.319 1.00 0.00 H new ATOM 0 HA TYR A 28 2.071 -0.336 -3.245 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.029 -1.234 -2.814 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.229 -1.795 -4.462 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.536 -2.658 -1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.430 -4.114 -4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.049 -4.991 -0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.006 -6.453 -4.081 1.00 0.00 H new ATOM 0 HH TYR A 28 1.719 -7.170 -1.051 1.00 0.00 H new ATOM 442 N GLU A 29 2.961 -2.661 -5.380 1.00 0.00 N ATOM 443 CA GLU A 29 4.083 -3.567 -5.736 1.00 0.00 C ATOM 444 C GLU A 29 5.339 -2.841 -6.253 1.00 0.00 C ATOM 445 O GLU A 29 6.456 -3.173 -5.859 1.00 0.00 O ATOM 446 CB GLU A 29 3.615 -4.619 -6.759 1.00 0.00 C ATOM 447 CG GLU A 29 2.904 -5.770 -6.054 1.00 0.00 C ATOM 448 CD GLU A 29 2.413 -6.800 -7.058 1.00 0.00 C ATOM 449 OE1 GLU A 29 1.267 -6.673 -7.543 1.00 0.00 O ATOM 450 OE2 GLU A 29 3.174 -7.758 -7.326 1.00 0.00 O ATOM 0 H GLU A 29 2.206 -2.662 -6.066 1.00 0.00 H new ATOM 0 HA GLU A 29 4.381 -4.054 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.943 -4.157 -7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.471 -4.999 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.583 -6.243 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.061 -5.385 -5.480 1.00 0.00 H new ATOM 457 N ASN A 30 5.149 -1.798 -7.066 1.00 0.00 N ATOM 458 CA ASN A 30 6.206 -0.837 -7.483 1.00 0.00 C ATOM 459 C ASN A 30 6.639 0.185 -6.407 1.00 0.00 C ATOM 460 O ASN A 30 7.585 0.959 -6.593 1.00 0.00 O ATOM 461 CB ASN A 30 5.769 -0.074 -8.741 1.00 0.00 C ATOM 462 CG ASN A 30 6.050 -0.860 -10.001 1.00 0.00 C ATOM 463 OD1 ASN A 30 7.184 -0.945 -10.459 1.00 0.00 O ATOM 464 ND2 ASN A 30 5.038 -1.449 -10.596 1.00 0.00 N ATOM 0 H ASN A 30 4.237 -1.582 -7.469 1.00 0.00 H new ATOM 0 HA ASN A 30 7.078 -1.462 -7.674 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.703 0.146 -8.680 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.290 0.882 -8.785 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.190 -1.985 -11.450 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.100 -1.370 -10.204 1.00 0.00 H new ATOM 471 N ASP A 31 5.968 0.116 -5.258 1.00 0.00 N ATOM 472 CA ASP A 31 6.298 0.874 -4.063 1.00 0.00 C ATOM 473 C ASP A 31 7.121 -0.013 -3.180 1.00 0.00 C ATOM 474 O ASP A 31 8.333 0.193 -3.121 1.00 0.00 O ATOM 475 CB ASP A 31 5.077 1.537 -3.413 1.00 0.00 C ATOM 476 CG ASP A 31 4.775 2.937 -4.009 1.00 0.00 C ATOM 477 OD1 ASP A 31 4.984 3.177 -5.223 1.00 0.00 O ATOM 478 OD2 ASP A 31 4.386 3.825 -3.218 1.00 0.00 O ATOM 0 H ASP A 31 5.156 -0.489 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 31 6.904 1.746 -4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.206 0.894 -3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.246 1.631 -2.340 1.00 0.00 H new ATOM 483 N VAL A 32 6.562 -1.082 -2.583 1.00 0.00 N ATOM 484 CA VAL A 32 7.249 -1.968 -1.645 1.00 0.00 C ATOM 485 C VAL A 32 6.226 -3.041 -1.176 1.00 0.00 C ATOM 486 O VAL A 32 5.633 -3.748 -1.996 1.00 0.00 O ATOM 487 CB VAL A 32 7.770 -1.120 -0.449 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.589 -0.320 0.185 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.637 -1.962 0.507 1.00 0.00 C ATOM 0 H VAL A 32 5.593 -1.355 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 32 8.103 -2.464 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 32 8.468 -0.355 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.959 0.272 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.154 0.342 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.828 -1.015 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.983 -1.337 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.046 -2.788 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.496 -2.358 -0.034 1.00 0.00 H new ATOM 499 N THR A 33 5.990 -3.138 0.138 1.00 0.00 N ATOM 500 CA THR A 33 4.920 -3.885 0.803 1.00 0.00 C ATOM 501 C THR A 33 3.750 -3.018 1.305 1.00 0.00 C ATOM 502 O THR A 33 2.679 -3.169 0.749 1.00 0.00 O ATOM 503 CB THR A 33 5.561 -4.658 1.977 1.00 0.00 C ATOM 504 OG1 THR A 33 6.660 -5.410 1.534 1.00 0.00 O ATOM 505 CG2 THR A 33 4.588 -5.577 2.729 1.00 0.00 C ATOM 0 H THR A 33 6.587 -2.660 0.813 1.00 0.00 H new ATOM 0 HA THR A 33 4.471 -4.552 0.067 1.00 0.00 H new ATOM 0 HB THR A 33 5.882 -3.893 2.684 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.054 -5.891 2.291 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.116 -6.083 3.537 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.773 -4.983 3.144 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.183 -6.319 2.041 1.00 0.00 H new ATOM 513 N TYR A 34 3.769 -2.206 2.376 1.00 0.00 N ATOM 514 CA TYR A 34 2.519 -1.588 2.909 1.00 0.00 C ATOM 515 C TYR A 34 2.927 -0.411 3.844 1.00 0.00 C ATOM 516 O TYR A 34 2.533 0.733 3.653 1.00 0.00 O ATOM 517 CB TYR A 34 1.672 -2.579 3.710 1.00 0.00 C ATOM 518 CG TYR A 34 0.687 -1.868 4.626 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.474 -1.271 4.108 1.00 0.00 C ATOM 520 CD2 TYR A 34 1.021 -1.670 5.977 1.00 0.00 C ATOM 521 CE1 TYR A 34 -1.336 -0.552 4.962 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.161 -0.946 6.828 1.00 0.00 C ATOM 523 CZ TYR A 34 -1.029 -0.400 6.320 1.00 0.00 C ATOM 524 OH TYR A 34 -1.880 0.296 7.126 1.00 0.00 O ATOM 0 H TYR A 34 4.615 -1.959 2.890 1.00 0.00 H new ATOM 0 HA TYR A 34 1.918 -1.251 2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.127 -3.229 3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.325 -3.218 4.304 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.706 -1.362 3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.943 -2.075 6.366 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.240 -0.115 4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.417 -0.812 7.869 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.526 0.311 8.040 1.00 0.00 H new ATOM 534 N GLU A 35 3.823 -0.720 4.794 1.00 0.00 N ATOM 535 CA GLU A 35 4.349 0.213 5.826 1.00 0.00 C ATOM 536 C GLU A 35 5.480 1.109 5.328 1.00 0.00 C ATOM 537 O GLU A 35 5.524 2.290 5.666 1.00 0.00 O ATOM 538 CB GLU A 35 4.816 -0.552 7.077 1.00 0.00 C ATOM 539 CG GLU A 35 3.764 -0.539 8.194 1.00 0.00 C ATOM 540 CD GLU A 35 3.624 -1.893 8.884 1.00 0.00 C ATOM 541 OE1 GLU A 35 4.656 -2.525 9.204 1.00 0.00 O ATOM 542 OE2 GLU A 35 2.473 -2.308 9.141 1.00 0.00 O ATOM 0 H GLU A 35 4.220 -1.656 4.875 1.00 0.00 H new ATOM 0 HA GLU A 35 3.512 0.864 6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.042 -1.583 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.741 -0.109 7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.034 0.215 8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.800 -0.246 7.777 1.00 0.00 H new ATOM 549 N ARG A 36 6.352 0.584 4.464 1.00 0.00 N ATOM 550 CA ARG A 36 7.366 1.388 3.768 1.00 0.00 C ATOM 551 C ARG A 36 6.707 2.479 2.895 1.00 0.00 C ATOM 552 O ARG A 36 7.038 3.654 3.034 1.00 0.00 O ATOM 553 CB ARG A 36 8.252 0.473 2.903 1.00 0.00 C ATOM 554 CG ARG A 36 9.661 0.130 3.421 1.00 0.00 C ATOM 555 CD ARG A 36 10.745 0.465 2.376 1.00 0.00 C ATOM 556 NE ARG A 36 11.841 -0.520 2.367 1.00 0.00 N ATOM 557 CZ ARG A 36 12.849 -0.559 1.508 1.00 0.00 C ATOM 558 NH1 ARG A 36 13.008 0.344 0.576 1.00 0.00 N ATOM 559 NH2 ARG A 36 13.729 -1.521 1.563 1.00 0.00 N ATOM 0 H ARG A 36 6.377 -0.407 4.226 1.00 0.00 H new ATOM 0 HA ARG A 36 7.985 1.886 4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.716 -0.463 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.361 0.941 1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.857 0.683 4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.710 -0.930 3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.291 0.508 1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.152 1.455 2.583 1.00 0.00 H new ATOM 0 HE ARG A 36 11.822 -1.239 3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.343 1.113 0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.797 0.280 -0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.644 -2.250 2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.502 -1.544 0.898 1.00 0.00 H new ATOM 573 N TYR A 37 5.749 2.127 2.019 1.00 0.00 N ATOM 574 CA TYR A 37 5.101 3.129 1.157 1.00 0.00 C ATOM 575 C TYR A 37 4.277 4.108 1.989 1.00 0.00 C ATOM 576 O TYR A 37 4.353 5.303 1.749 1.00 0.00 O ATOM 577 CB TYR A 37 4.258 2.511 0.024 1.00 0.00 C ATOM 578 CG TYR A 37 2.770 2.380 0.251 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.937 3.509 0.132 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.213 1.139 0.607 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.567 3.418 0.418 1.00 0.00 C ATOM 582 CE2 TYR A 37 0.847 1.060 0.932 1.00 0.00 C ATOM 583 CZ TYR A 37 0.030 2.197 0.839 1.00 0.00 C ATOM 584 OH TYR A 37 -1.278 2.128 1.171 1.00 0.00 O ATOM 0 H TYR A 37 5.411 1.173 1.891 1.00 0.00 H new ATOM 0 HA TYR A 37 5.905 3.676 0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.409 3.111 -0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.655 1.518 -0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.357 4.453 -0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.830 0.253 0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.069 4.285 0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.425 0.120 1.255 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.825 2.381 0.398 1.00 0.00 H new ATOM 594 N LEU A 38 3.554 3.598 2.991 1.00 0.00 N ATOM 595 CA LEU A 38 2.822 4.431 3.947 1.00 0.00 C ATOM 596 C LEU A 38 3.710 5.572 4.478 1.00 0.00 C ATOM 597 O LEU A 38 3.267 6.717 4.485 1.00 0.00 O ATOM 598 CB LEU A 38 2.237 3.571 5.077 1.00 0.00 C ATOM 599 CG LEU A 38 1.551 4.368 6.211 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.566 3.463 6.946 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.540 4.923 7.247 1.00 0.00 C ATOM 0 H LEU A 38 3.461 2.597 3.161 1.00 0.00 H new ATOM 0 HA LEU A 38 1.983 4.899 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.512 2.878 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.037 2.969 5.508 1.00 0.00 H new ATOM 0 HG LEU A 38 1.052 5.211 5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.083 4.025 7.745 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.189 3.104 6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.100 2.613 7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.994 5.471 8.014 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.085 4.099 7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.245 5.593 6.755 1.00 0.00 H new ATOM 613 N GLU A 39 4.965 5.276 4.854 1.00 0.00 N ATOM 614 CA GLU A 39 5.965 6.270 5.306 1.00 0.00 C ATOM 615 C GLU A 39 6.444 7.217 4.202 1.00 0.00 C ATOM 616 O GLU A 39 6.510 8.427 4.427 1.00 0.00 O ATOM 617 CB GLU A 39 7.186 5.577 5.939 1.00 0.00 C ATOM 618 CG GLU A 39 6.987 5.372 7.439 1.00 0.00 C ATOM 619 CD GLU A 39 8.210 4.697 8.048 1.00 0.00 C ATOM 620 OE1 GLU A 39 9.256 5.371 8.190 1.00 0.00 O ATOM 621 OE2 GLU A 39 8.119 3.502 8.410 1.00 0.00 O ATOM 0 H GLU A 39 5.325 4.321 4.854 1.00 0.00 H new ATOM 0 HA GLU A 39 5.446 6.877 6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.352 4.614 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.079 6.178 5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.814 6.333 7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.101 4.762 7.615 1.00 0.00 H new ATOM 628 N ILE A 40 6.752 6.718 3.003 1.00 0.00 N ATOM 629 CA ILE A 40 7.244 7.529 1.871 1.00 0.00 C ATOM 630 C ILE A 40 6.158 8.504 1.361 1.00 0.00 C ATOM 631 O ILE A 40 6.388 9.710 1.268 1.00 0.00 O ATOM 632 CB ILE A 40 7.746 6.574 0.755 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.930 5.695 1.241 1.00 0.00 C ATOM 634 CG2 ILE A 40 8.187 7.333 -0.510 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.202 4.471 0.349 1.00 0.00 C ATOM 0 H ILE A 40 6.668 5.726 2.781 1.00 0.00 H new ATOM 0 HA ILE A 40 8.075 8.152 2.201 1.00 0.00 H new ATOM 0 HB ILE A 40 6.895 5.939 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.831 6.307 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.725 5.355 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.530 6.621 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.345 7.901 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.999 8.016 -0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.043 3.906 0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.317 3.835 0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.440 4.803 -0.662 1.00 0.00 H new ATOM 647 N LEU A 41 4.946 8.008 1.107 1.00 0.00 N ATOM 648 CA LEU A 41 3.741 8.778 0.777 1.00 0.00 C ATOM 649 C LEU A 41 3.348 9.741 1.917 1.00 0.00 C ATOM 650 O LEU A 41 3.007 10.883 1.647 1.00 0.00 O ATOM 651 CB LEU A 41 2.592 7.799 0.446 1.00 0.00 C ATOM 652 CG LEU A 41 2.564 7.228 -0.991 1.00 0.00 C ATOM 653 CD1 LEU A 41 1.989 8.250 -1.971 1.00 0.00 C ATOM 654 CD2 LEU A 41 3.922 6.761 -1.515 1.00 0.00 C ATOM 0 H LEU A 41 4.767 7.004 1.127 1.00 0.00 H new ATOM 0 HA LEU A 41 3.947 9.399 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.644 6.963 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.646 8.309 0.629 1.00 0.00 H new ATOM 0 HG LEU A 41 1.926 6.347 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.979 7.826 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.971 8.505 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.606 9.149 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.808 6.376 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.618 7.600 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.310 5.973 -0.869 1.00 0.00 H new ATOM 666 N LYS A 42 3.483 9.334 3.182 1.00 0.00 N ATOM 667 CA LYS A 42 3.321 10.274 4.311 1.00 0.00 C ATOM 668 C LYS A 42 4.264 11.496 4.202 1.00 0.00 C ATOM 669 O LYS A 42 3.868 12.619 4.526 1.00 0.00 O ATOM 670 CB LYS A 42 3.472 9.633 5.704 1.00 0.00 C ATOM 671 CG LYS A 42 2.110 9.428 6.395 1.00 0.00 C ATOM 672 CD LYS A 42 2.277 9.346 7.923 1.00 0.00 C ATOM 673 CE LYS A 42 0.949 9.533 8.671 1.00 0.00 C ATOM 674 NZ LYS A 42 0.125 8.307 8.705 1.00 0.00 N ATOM 0 H LYS A 42 3.701 8.376 3.455 1.00 0.00 H new ATOM 0 HA LYS A 42 2.287 10.606 4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.978 8.672 5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.104 10.266 6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.442 10.251 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.644 8.514 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.706 8.379 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.984 10.108 8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.156 9.853 9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.381 10.332 8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.757 8.496 9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.100 8.013 7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.651 7.548 9.183 1.00 0.00 H new