USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 459 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 13 TYR OH : rot 180:sc= 0.938 USER MOD Set 1.2: A 23 TYR OH : rot 153:sc= 1.49 USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 1.1 (180deg=0.937) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -127:sc= 0.293 (180deg=-0.197) USER MOD Single : A 20 LYS NZ :NH3+ -145:sc= 1.13 (180deg=0.931) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 83:sc= 1.31 USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 1.05 (180deg=1.02) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 2.47 (180deg=2) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 1.2 (180deg=1.02) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.12 K(o=1.1,f=-0.28) USER MOD Single : A 60 GLN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 16.713 -50.839 8.743 1.00 0.00 N ATOM 101 CA ILE A 6 16.479 -51.289 7.348 1.00 0.00 C ATOM 102 C ILE A 6 16.663 -52.806 7.249 1.00 0.00 C ATOM 103 O ILE A 6 15.777 -53.500 6.741 1.00 0.00 O ATOM 104 CB ILE A 6 17.373 -50.599 6.238 1.00 0.00 C ATOM 105 CG1 ILE A 6 16.972 -49.142 5.962 1.00 0.00 C ATOM 106 CG2 ILE A 6 17.417 -51.324 4.838 1.00 0.00 C ATOM 107 CD1 ILE A 6 17.515 -48.125 6.970 1.00 0.00 C ATOM 0 HA ILE A 6 15.455 -50.983 7.136 1.00 0.00 H new ATOM 0 HB ILE A 6 18.362 -50.665 6.692 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.319 -48.867 4.966 1.00 0.00 H new ATOM 0 HG13 ILE A 6 15.884 -49.075 5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.058 -50.763 4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 6 17.813 -52.332 4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 6 16.410 -51.379 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 6 17.180 -47.125 6.694 1.00 0.00 H new ATOM 0 HD12 ILE A 6 17.147 -48.369 7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 6 18.605 -48.157 6.968 1.00 0.00 H new ATOM 119 N GLU A 7 17.802 -53.298 7.765 1.00 0.00 N ATOM 120 CA GLU A 7 18.056 -54.729 7.854 1.00 0.00 C ATOM 121 C GLU A 7 17.009 -55.448 8.713 1.00 0.00 C ATOM 122 O GLU A 7 16.495 -56.430 8.211 1.00 0.00 O ATOM 123 CB GLU A 7 19.502 -55.042 8.319 1.00 0.00 C ATOM 124 CG GLU A 7 20.614 -54.565 7.328 1.00 0.00 C ATOM 125 CD GLU A 7 20.505 -55.175 5.927 1.00 0.00 C ATOM 126 OE1 GLU A 7 20.819 -56.353 5.771 1.00 0.00 O ATOM 127 OE2 GLU A 7 20.118 -54.455 5.010 1.00 0.00 O ATOM 0 H GLU A 7 18.558 -52.716 8.125 1.00 0.00 H new ATOM 0 HA GLU A 7 17.961 -55.124 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.669 -54.572 9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.599 -56.118 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.570 -53.479 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.590 -54.813 7.746 1.00 0.00 H new ATOM 134 N GLU A 8 16.582 -55.066 9.920 1.00 0.00 N ATOM 135 CA GLU A 8 15.532 -55.815 10.630 1.00 0.00 C ATOM 136 C GLU A 8 14.135 -55.817 9.952 1.00 0.00 C ATOM 137 O GLU A 8 13.306 -56.663 10.308 1.00 0.00 O ATOM 138 CB GLU A 8 15.435 -55.317 12.091 1.00 0.00 C ATOM 139 CG GLU A 8 16.712 -55.657 12.914 1.00 0.00 C ATOM 140 CD GLU A 8 16.680 -55.055 14.317 1.00 0.00 C ATOM 141 OE1 GLU A 8 16.014 -55.609 15.187 1.00 0.00 O ATOM 142 OE2 GLU A 8 17.353 -54.045 14.539 1.00 0.00 O ATOM 0 H GLU A 8 16.939 -54.254 10.424 1.00 0.00 H new ATOM 0 HA GLU A 8 15.845 -56.858 10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.278 -54.238 12.096 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.566 -55.768 12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.815 -56.740 12.989 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.591 -55.289 12.384 1.00 0.00 H new ATOM 149 N GLU A 9 13.819 -54.907 9.015 1.00 0.00 N ATOM 150 CA GLU A 9 12.697 -55.088 8.076 1.00 0.00 C ATOM 151 C GLU A 9 13.052 -55.884 6.797 1.00 0.00 C ATOM 152 O GLU A 9 12.286 -56.779 6.435 1.00 0.00 O ATOM 153 CB GLU A 9 12.032 -53.719 7.783 1.00 0.00 C ATOM 154 CG GLU A 9 11.084 -53.224 8.940 1.00 0.00 C ATOM 155 CD GLU A 9 11.763 -52.491 10.102 1.00 0.00 C ATOM 156 OE1 GLU A 9 12.235 -53.142 11.031 1.00 0.00 O ATOM 157 OE2 GLU A 9 11.737 -51.257 10.101 1.00 0.00 O ATOM 0 H GLU A 9 14.328 -54.033 8.887 1.00 0.00 H new ATOM 0 HA GLU A 9 11.966 -55.729 8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.810 -52.974 7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.458 -53.792 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.333 -52.562 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.554 -54.087 9.342 1.00 0.00 H new ATOM 164 N ALA A 10 14.145 -55.586 6.079 1.00 0.00 N ATOM 165 CA ALA A 10 14.688 -56.442 5.003 1.00 0.00 C ATOM 166 C ALA A 10 15.192 -57.836 5.442 1.00 0.00 C ATOM 167 O ALA A 10 14.527 -58.791 5.049 1.00 0.00 O ATOM 168 CB ALA A 10 15.720 -55.619 4.196 1.00 0.00 C ATOM 0 H ALA A 10 14.686 -54.734 6.228 1.00 0.00 H new ATOM 0 HA ALA A 10 13.858 -56.720 4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.132 -56.235 3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.232 -54.745 3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.525 -55.296 4.857 1.00 0.00 H new ATOM 174 N ALA A 11 16.222 -58.038 6.277 1.00 0.00 N ATOM 175 CA ALA A 11 16.964 -59.294 6.523 1.00 0.00 C ATOM 176 C ALA A 11 16.152 -60.567 6.837 1.00 0.00 C ATOM 177 O ALA A 11 16.642 -61.678 6.627 1.00 0.00 O ATOM 178 CB ALA A 11 17.924 -59.030 7.713 1.00 0.00 C ATOM 0 H ALA A 11 16.590 -57.273 6.843 1.00 0.00 H new ATOM 0 HA ALA A 11 17.447 -59.523 5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.493 -59.934 7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.610 -58.223 7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.345 -58.747 8.592 1.00 0.00 H new ATOM 184 N LYS A 12 14.929 -60.410 7.356 1.00 0.00 N ATOM 185 CA LYS A 12 13.958 -61.495 7.497 1.00 0.00 C ATOM 186 C LYS A 12 13.541 -62.100 6.137 1.00 0.00 C ATOM 187 O LYS A 12 13.316 -63.308 6.050 1.00 0.00 O ATOM 188 CB LYS A 12 12.716 -60.946 8.244 1.00 0.00 C ATOM 189 CG LYS A 12 12.988 -60.548 9.715 1.00 0.00 C ATOM 190 CD LYS A 12 11.762 -59.824 10.316 1.00 0.00 C ATOM 191 CE LYS A 12 11.872 -59.448 11.801 1.00 0.00 C ATOM 192 NZ LYS A 12 12.988 -58.531 11.991 1.00 0.00 N ATOM 0 H LYS A 12 14.583 -59.512 7.694 1.00 0.00 H new ATOM 0 HA LYS A 12 14.424 -62.302 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.338 -60.076 7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.930 -61.700 8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.216 -61.437 10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.862 -59.899 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.583 -58.915 9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.887 -60.461 10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.945 -58.984 12.139 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.018 -60.344 12.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.960 -58.146 12.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.884 -59.040 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.918 -57.752 11.305 1.00 0.00 H new ATOM 206 N TYR A 13 13.419 -61.267 5.085 1.00 0.00 N ATOM 207 CA TYR A 13 13.063 -61.598 3.691 1.00 0.00 C ATOM 208 C TYR A 13 11.770 -62.400 3.420 1.00 0.00 C ATOM 209 O TYR A 13 11.168 -62.219 2.359 1.00 0.00 O ATOM 210 CB TYR A 13 14.310 -62.130 2.898 1.00 0.00 C ATOM 211 CG TYR A 13 15.001 -61.054 2.023 1.00 0.00 C ATOM 212 CD1 TYR A 13 15.156 -59.728 2.408 1.00 0.00 C ATOM 213 CD2 TYR A 13 15.496 -61.376 0.767 1.00 0.00 C ATOM 214 CE1 TYR A 13 15.755 -58.784 1.604 1.00 0.00 C ATOM 215 CE2 TYR A 13 16.099 -60.432 -0.050 1.00 0.00 C ATOM 216 CZ TYR A 13 16.226 -59.131 0.369 1.00 0.00 C ATOM 217 OH TYR A 13 16.783 -58.189 -0.437 1.00 0.00 O ATOM 0 H TYR A 13 13.580 -60.266 5.197 1.00 0.00 H new ATOM 0 HA TYR A 13 12.760 -60.631 3.288 1.00 0.00 H new ATOM 0 HB2 TYR A 13 15.036 -62.530 3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 13 13.998 -62.957 2.261 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.791 -59.425 3.378 1.00 0.00 H new ATOM 0 HD2 TYR A 13 15.409 -62.393 0.415 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.853 -57.766 1.951 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.471 -60.722 -1.022 1.00 0.00 H new ATOM 0 HH TYR A 13 17.067 -58.604 -1.278 1.00 0.00 H new ATOM 227 N LYS A 14 11.337 -63.268 4.343 1.00 0.00 N ATOM 228 CA LYS A 14 10.025 -63.927 4.348 1.00 0.00 C ATOM 229 C LYS A 14 8.854 -62.929 4.467 1.00 0.00 C ATOM 230 O LYS A 14 7.783 -63.137 3.893 1.00 0.00 O ATOM 231 CB LYS A 14 9.971 -64.943 5.519 1.00 0.00 C ATOM 232 CG LYS A 14 10.991 -66.093 5.375 1.00 0.00 C ATOM 233 CD LYS A 14 10.931 -67.045 6.582 1.00 0.00 C ATOM 234 CE LYS A 14 11.960 -68.164 6.452 1.00 0.00 C ATOM 235 NZ LYS A 14 11.853 -69.000 7.639 1.00 0.00 N ATOM 0 H LYS A 14 11.914 -63.541 5.138 1.00 0.00 H new ATOM 0 HA LYS A 14 9.910 -64.436 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.156 -64.418 6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.967 -65.362 5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.789 -66.649 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.996 -65.682 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.112 -66.485 7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.932 -67.473 6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.776 -68.751 5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.965 -67.752 6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.544 -69.775 7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.045 -68.427 8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.893 -69.396 7.700 1.00 0.00 H new ATOM 249 N TYR A 15 9.052 -61.826 5.205 1.00 0.00 N ATOM 250 CA TYR A 15 8.134 -60.682 5.229 1.00 0.00 C ATOM 251 C TYR A 15 8.264 -59.805 3.960 1.00 0.00 C ATOM 252 O TYR A 15 8.621 -58.620 3.970 1.00 0.00 O ATOM 253 CB TYR A 15 8.365 -59.883 6.534 1.00 0.00 C ATOM 254 CG TYR A 15 7.780 -60.637 7.736 1.00 0.00 C ATOM 255 CD1 TYR A 15 6.419 -60.629 7.984 1.00 0.00 C ATOM 256 CD2 TYR A 15 8.584 -61.327 8.625 1.00 0.00 C ATOM 257 CE1 TYR A 15 5.883 -61.269 9.084 1.00 0.00 C ATOM 258 CE2 TYR A 15 8.059 -61.972 9.727 1.00 0.00 C ATOM 259 CZ TYR A 15 6.704 -61.938 9.955 1.00 0.00 C ATOM 260 OH TYR A 15 6.165 -62.550 11.038 1.00 0.00 O ATOM 0 H TYR A 15 9.865 -61.704 5.809 1.00 0.00 H new ATOM 0 HA TYR A 15 7.106 -61.045 5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.432 -59.720 6.684 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.901 -58.900 6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.761 -60.111 7.302 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.650 -61.362 8.453 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.817 -61.243 9.258 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.710 -62.501 10.407 1.00 0.00 H new ATOM 0 HH TYR A 15 6.875 -62.981 11.557 1.00 0.00 H new ATOM 270 N ALA A 16 7.871 -60.474 2.869 1.00 0.00 N ATOM 271 CA ALA A 16 8.104 -60.062 1.486 1.00 0.00 C ATOM 272 C ALA A 16 7.512 -58.699 1.093 1.00 0.00 C ATOM 273 O ALA A 16 8.235 -57.847 0.577 1.00 0.00 O ATOM 274 CB ALA A 16 7.582 -61.185 0.565 1.00 0.00 C ATOM 0 H ALA A 16 7.360 -61.355 2.933 1.00 0.00 H new ATOM 0 HA ALA A 16 9.178 -59.913 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.742 -60.906 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.118 -62.110 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.517 -61.334 0.741 1.00 0.00 H new ATOM 280 N MET A 17 6.222 -58.475 1.376 1.00 0.00 N ATOM 281 CA MET A 17 5.522 -57.219 1.088 1.00 0.00 C ATOM 282 C MET A 17 6.090 -56.017 1.869 1.00 0.00 C ATOM 283 O MET A 17 6.130 -54.895 1.365 1.00 0.00 O ATOM 284 CB MET A 17 4.001 -57.362 1.387 1.00 0.00 C ATOM 285 CG MET A 17 3.225 -58.361 0.489 1.00 0.00 C ATOM 286 SD MET A 17 3.421 -60.112 0.920 1.00 0.00 S ATOM 287 CE MET A 17 2.026 -60.342 2.050 1.00 0.00 C ATOM 0 H MET A 17 5.626 -59.175 1.819 1.00 0.00 H new ATOM 0 HA MET A 17 5.678 -57.019 0.028 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.882 -57.669 2.426 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.537 -56.380 1.290 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.165 -58.111 0.529 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.546 -58.221 -0.543 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.010 -61.373 2.403 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.132 -59.669 2.901 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.095 -60.123 1.528 1.00 0.00 H new ATOM 297 N LEU A 18 6.595 -56.281 3.079 1.00 0.00 N ATOM 298 CA LEU A 18 7.054 -55.257 4.016 1.00 0.00 C ATOM 299 C LEU A 18 8.492 -54.821 3.693 1.00 0.00 C ATOM 300 O LEU A 18 8.792 -53.629 3.621 1.00 0.00 O ATOM 301 CB LEU A 18 6.880 -55.799 5.465 1.00 0.00 C ATOM 302 CG LEU A 18 5.467 -56.397 5.750 1.00 0.00 C ATOM 303 CD1 LEU A 18 5.356 -56.922 7.176 1.00 0.00 C ATOM 304 CD2 LEU A 18 4.343 -55.383 5.505 1.00 0.00 C ATOM 0 H LEU A 18 6.697 -57.230 3.438 1.00 0.00 H new ATOM 0 HA LEU A 18 6.452 -54.353 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.632 -56.566 5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.071 -54.990 6.170 1.00 0.00 H new ATOM 0 HG LEU A 18 5.349 -57.223 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.358 -57.330 7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.098 -57.704 7.334 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.532 -56.107 7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.380 -55.848 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.482 -54.521 6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.367 -55.058 4.465 1.00 0.00 H new ATOM 316 N LYS A 19 9.390 -55.785 3.479 1.00 0.00 N ATOM 317 CA LYS A 19 10.637 -55.550 2.750 1.00 0.00 C ATOM 318 C LYS A 19 10.452 -54.897 1.357 1.00 0.00 C ATOM 319 O LYS A 19 11.240 -54.018 1.000 1.00 0.00 O ATOM 320 CB LYS A 19 11.295 -56.956 2.644 1.00 0.00 C ATOM 321 CG LYS A 19 12.533 -57.141 1.730 1.00 0.00 C ATOM 322 CD LYS A 19 12.321 -57.520 0.228 1.00 0.00 C ATOM 323 CE LYS A 19 11.532 -58.790 -0.107 1.00 0.00 C ATOM 324 NZ LYS A 19 12.170 -59.940 0.517 1.00 0.00 N ATOM 0 H LYS A 19 9.274 -56.745 3.804 1.00 0.00 H new ATOM 0 HA LYS A 19 11.256 -54.825 3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.581 -57.262 3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.529 -57.653 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.103 -56.212 1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.160 -57.912 2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.820 -56.682 -0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.305 -57.612 -0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.505 -58.696 0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.487 -58.928 -1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.347 -60.671 -0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.073 -59.648 0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.547 -60.324 1.256 1.00 0.00 H new ATOM 338 N LYS A 20 9.467 -55.290 0.531 1.00 0.00 N ATOM 339 CA LYS A 20 9.129 -54.555 -0.695 1.00 0.00 C ATOM 340 C LYS A 20 8.624 -53.121 -0.397 1.00 0.00 C ATOM 341 O LYS A 20 8.870 -52.249 -1.239 1.00 0.00 O ATOM 342 CB LYS A 20 8.095 -55.385 -1.515 1.00 0.00 C ATOM 343 CG LYS A 20 7.407 -54.768 -2.771 1.00 0.00 C ATOM 344 CD LYS A 20 8.203 -54.720 -4.106 1.00 0.00 C ATOM 345 CE LYS A 20 9.396 -53.760 -4.228 1.00 0.00 C ATOM 346 NZ LYS A 20 8.997 -52.414 -3.830 1.00 0.00 N ATOM 0 H LYS A 20 8.891 -56.116 0.693 1.00 0.00 H new ATOM 0 HA LYS A 20 10.032 -54.427 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.597 -56.297 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.303 -55.683 -0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.488 -55.326 -2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.116 -53.747 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.569 -55.727 -4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.499 -54.472 -4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.217 -54.105 -3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.762 -53.751 -5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.500 -51.716 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.972 -52.302 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.235 -52.263 -2.829 1.00 0.00 H new ATOM 360 N CYS A 21 7.926 -52.810 0.718 1.00 0.00 N ATOM 361 CA CYS A 21 7.766 -51.417 1.174 1.00 0.00 C ATOM 362 C CYS A 21 9.086 -50.692 1.506 1.00 0.00 C ATOM 363 O CYS A 21 9.183 -49.502 1.195 1.00 0.00 O ATOM 364 CB CYS A 21 6.810 -51.292 2.365 1.00 0.00 C ATOM 365 SG CYS A 21 5.049 -51.287 1.950 1.00 0.00 S ATOM 0 H CYS A 21 7.469 -53.501 1.313 1.00 0.00 H new ATOM 0 HA CYS A 21 7.334 -50.918 0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.002 -52.117 3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.042 -50.371 2.900 1.00 0.00 H new ATOM 370 N CYS A 22 10.093 -51.355 2.113 1.00 0.00 N ATOM 371 CA CYS A 22 11.478 -50.837 2.156 1.00 0.00 C ATOM 372 C CYS A 22 11.948 -50.438 0.768 1.00 0.00 C ATOM 373 O CYS A 22 12.256 -49.277 0.513 1.00 0.00 O ATOM 374 CB CYS A 22 12.460 -51.754 2.936 1.00 0.00 C ATOM 375 SG CYS A 22 13.714 -50.850 3.897 1.00 0.00 S ATOM 0 H CYS A 22 9.972 -52.253 2.582 1.00 0.00 H new ATOM 0 HA CYS A 22 11.471 -49.923 2.750 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.888 -52.390 3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.964 -52.413 2.229 1.00 0.00 H new ATOM 380 N TYR A 23 11.892 -51.359 -0.168 1.00 0.00 N ATOM 381 CA TYR A 23 12.441 -51.102 -1.485 1.00 0.00 C ATOM 382 C TYR A 23 11.595 -50.111 -2.331 1.00 0.00 C ATOM 383 O TYR A 23 12.124 -49.387 -3.181 1.00 0.00 O ATOM 384 CB TYR A 23 12.742 -52.480 -2.041 1.00 0.00 C ATOM 385 CG TYR A 23 13.684 -53.315 -1.122 1.00 0.00 C ATOM 386 CD1 TYR A 23 14.371 -52.897 0.048 1.00 0.00 C ATOM 387 CD2 TYR A 23 13.970 -54.577 -1.599 1.00 0.00 C ATOM 388 CE1 TYR A 23 15.335 -53.718 0.615 1.00 0.00 C ATOM 389 CE2 TYR A 23 14.929 -55.384 -1.026 1.00 0.00 C ATOM 390 CZ TYR A 23 15.617 -54.953 0.075 1.00 0.00 C ATOM 391 OH TYR A 23 16.581 -55.759 0.601 1.00 0.00 O ATOM 0 H TYR A 23 11.477 -52.283 -0.047 1.00 0.00 H new ATOM 0 HA TYR A 23 13.368 -50.529 -1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.806 -53.022 -2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.201 -52.377 -3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.143 -51.941 0.496 1.00 0.00 H new ATOM 0 HD2 TYR A 23 13.422 -54.947 -2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.871 -53.384 1.491 1.00 0.00 H new ATOM 0 HE2 TYR A 23 15.137 -56.357 -1.446 1.00 0.00 H new ATOM 0 HH TYR A 23 16.365 -56.695 0.409 1.00 0.00 H new ATOM 401 N ASP A 24 10.286 -50.026 -2.031 1.00 0.00 N ATOM 402 CA ASP A 24 9.388 -48.945 -2.461 1.00 0.00 C ATOM 403 C ASP A 24 9.778 -47.563 -1.899 1.00 0.00 C ATOM 404 O ASP A 24 9.546 -46.560 -2.573 1.00 0.00 O ATOM 405 CB ASP A 24 7.934 -49.300 -2.027 1.00 0.00 C ATOM 406 CG ASP A 24 6.927 -48.881 -3.086 1.00 0.00 C ATOM 407 OD1 ASP A 24 6.462 -47.743 -3.042 1.00 0.00 O ATOM 408 OD2 ASP A 24 6.634 -49.707 -3.947 1.00 0.00 O ATOM 0 H ASP A 24 9.812 -50.730 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 24 9.468 -48.867 -3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.856 -50.373 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.702 -48.805 -1.084 1.00 0.00 H new ATOM 413 N GLY A 25 10.300 -47.502 -0.664 1.00 0.00 N ATOM 414 CA GLY A 25 10.931 -46.302 -0.100 1.00 0.00 C ATOM 415 C GLY A 25 12.362 -46.030 -0.582 1.00 0.00 C ATOM 416 O GLY A 25 12.755 -44.868 -0.654 1.00 0.00 O ATOM 0 H GLY A 25 10.295 -48.295 -0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.313 -45.438 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.941 -46.393 0.986 1.00 0.00 H new ATOM 420 N ALA A 26 13.159 -47.068 -0.872 1.00 0.00 N ATOM 421 CA ALA A 26 14.502 -46.921 -1.444 1.00 0.00 C ATOM 422 C ALA A 26 14.511 -46.326 -2.864 1.00 0.00 C ATOM 423 O ALA A 26 15.284 -45.399 -3.115 1.00 0.00 O ATOM 424 CB ALA A 26 15.235 -48.277 -1.430 1.00 0.00 C ATOM 0 H ALA A 26 12.887 -48.038 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 26 15.026 -46.204 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.231 -48.157 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.321 -48.634 -0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.673 -49.001 -2.020 1.00 0.00 H new ATOM 430 N TYR A 27 13.664 -46.789 -3.799 1.00 0.00 N ATOM 431 CA TYR A 27 13.610 -46.229 -5.162 1.00 0.00 C ATOM 432 C TYR A 27 12.915 -44.844 -5.290 1.00 0.00 C ATOM 433 O TYR A 27 12.222 -44.560 -6.272 1.00 0.00 O ATOM 434 CB TYR A 27 12.976 -47.289 -6.110 1.00 0.00 C ATOM 435 CG TYR A 27 13.949 -48.444 -6.394 1.00 0.00 C ATOM 436 CD1 TYR A 27 14.880 -48.363 -7.416 1.00 0.00 C ATOM 437 CD2 TYR A 27 13.930 -49.608 -5.645 1.00 0.00 C ATOM 438 CE1 TYR A 27 15.754 -49.401 -7.678 1.00 0.00 C ATOM 439 CE2 TYR A 27 14.799 -50.652 -5.900 1.00 0.00 C ATOM 440 CZ TYR A 27 15.712 -50.543 -6.920 1.00 0.00 C ATOM 441 OH TYR A 27 16.576 -51.554 -7.191 1.00 0.00 O ATOM 0 H TYR A 27 13.006 -47.551 -3.636 1.00 0.00 H new ATOM 0 HA TYR A 27 14.638 -46.015 -5.455 1.00 0.00 H new ATOM 0 HB2 TYR A 27 12.064 -47.682 -5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 27 12.689 -46.814 -7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 27 14.924 -47.470 -8.021 1.00 0.00 H new ATOM 0 HD2 TYR A 27 13.217 -49.703 -4.840 1.00 0.00 H new ATOM 0 HE1 TYR A 27 16.471 -49.313 -8.481 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.760 -51.549 -5.300 1.00 0.00 H new ATOM 0 HH TYR A 27 16.422 -52.293 -6.566 1.00 0.00 H new ATOM 451 N ARG A 28 13.137 -43.918 -4.342 1.00 0.00 N ATOM 452 CA ARG A 28 12.459 -42.617 -4.307 1.00 0.00 C ATOM 453 C ARG A 28 13.436 -41.428 -4.458 1.00 0.00 C ATOM 454 O ARG A 28 13.740 -40.682 -3.520 1.00 0.00 O ATOM 455 CB ARG A 28 11.592 -42.507 -3.013 1.00 0.00 C ATOM 456 CG ARG A 28 10.420 -43.517 -2.916 1.00 0.00 C ATOM 457 CD ARG A 28 9.305 -43.313 -3.940 1.00 0.00 C ATOM 458 NE ARG A 28 8.353 -44.420 -3.876 1.00 0.00 N ATOM 459 CZ ARG A 28 7.228 -44.449 -4.543 1.00 0.00 C ATOM 460 NH1 ARG A 28 6.873 -43.573 -5.418 1.00 0.00 N ATOM 461 NH2 ARG A 28 6.411 -45.416 -4.377 1.00 0.00 N ATOM 0 H ARG A 28 13.796 -44.055 -3.576 1.00 0.00 H new ATOM 0 HA ARG A 28 11.800 -42.559 -5.173 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.241 -42.643 -2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.186 -41.497 -2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.818 -44.525 -3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.990 -43.457 -1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.792 -42.371 -3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.729 -43.246 -4.942 1.00 0.00 H new ATOM 0 HE ARG A 28 8.578 -45.215 -3.278 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.488 -42.787 -5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.977 -43.665 -5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.635 -46.167 -3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.534 -45.438 -4.897 1.00 0.00 H new ATOM 475 N ASN A 29 13.946 -41.259 -5.683 1.00 0.00 N ATOM 476 CA ASN A 29 14.811 -40.129 -6.040 1.00 0.00 C ATOM 477 C ASN A 29 14.018 -38.861 -6.418 1.00 0.00 C ATOM 478 O ASN A 29 14.232 -37.801 -5.832 1.00 0.00 O ATOM 479 CB ASN A 29 15.768 -40.562 -7.184 1.00 0.00 C ATOM 480 CG ASN A 29 16.619 -41.758 -6.757 1.00 0.00 C ATOM 481 OD1 ASN A 29 16.300 -42.902 -7.052 1.00 0.00 O ATOM 482 ND2 ASN A 29 17.714 -41.569 -6.048 1.00 0.00 N ATOM 0 H ASN A 29 13.771 -41.902 -6.455 1.00 0.00 H new ATOM 0 HA ASN A 29 15.393 -39.858 -5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.189 -40.820 -8.070 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.415 -39.729 -7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.277 -42.368 -5.756 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.998 -40.624 -5.791 1.00 0.00 H new ATOM 489 N ASP A 30 13.122 -38.956 -7.411 1.00 0.00 N ATOM 490 CA ASP A 30 12.233 -37.867 -7.840 1.00 0.00 C ATOM 491 C ASP A 30 11.149 -37.482 -6.807 1.00 0.00 C ATOM 492 O ASP A 30 10.750 -36.320 -6.704 1.00 0.00 O ATOM 493 CB ASP A 30 11.556 -38.281 -9.180 1.00 0.00 C ATOM 494 CG ASP A 30 12.583 -38.665 -10.243 1.00 0.00 C ATOM 495 OD1 ASP A 30 13.087 -39.786 -10.178 1.00 0.00 O ATOM 496 OD2 ASP A 30 12.865 -37.843 -11.108 1.00 0.00 O ATOM 0 H ASP A 30 12.992 -39.812 -7.950 1.00 0.00 H new ATOM 0 HA ASP A 30 12.855 -36.979 -7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.885 -39.122 -9.003 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.944 -37.457 -9.547 1.00 0.00 H new ATOM 501 N ASP A 31 10.660 -38.470 -6.048 1.00 0.00 N ATOM 502 CA ASP A 31 9.621 -38.280 -5.037 1.00 0.00 C ATOM 503 C ASP A 31 10.147 -37.658 -3.723 1.00 0.00 C ATOM 504 O ASP A 31 10.445 -38.354 -2.747 1.00 0.00 O ATOM 505 CB ASP A 31 8.944 -39.647 -4.776 1.00 0.00 C ATOM 506 CG ASP A 31 7.964 -40.063 -5.869 1.00 0.00 C ATOM 507 OD1 ASP A 31 7.064 -39.286 -6.196 1.00 0.00 O ATOM 508 OD2 ASP A 31 8.072 -41.202 -6.321 1.00 0.00 O ATOM 0 H ASP A 31 10.981 -39.435 -6.122 1.00 0.00 H new ATOM 0 HA ASP A 31 8.899 -37.560 -5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.715 -40.412 -4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.416 -39.605 -3.823 1.00 0.00 H new ATOM 513 N GLU A 32 10.223 -36.318 -3.719 1.00 0.00 N ATOM 514 CA GLU A 32 10.801 -35.527 -2.626 1.00 0.00 C ATOM 515 C GLU A 32 10.244 -35.787 -1.206 1.00 0.00 C ATOM 516 O GLU A 32 11.046 -36.055 -0.306 1.00 0.00 O ATOM 517 CB GLU A 32 10.867 -34.005 -2.995 1.00 0.00 C ATOM 518 CG GLU A 32 9.641 -33.320 -3.703 1.00 0.00 C ATOM 519 CD GLU A 32 8.334 -33.363 -2.909 1.00 0.00 C ATOM 520 OE1 GLU A 32 8.255 -32.768 -1.835 1.00 0.00 O ATOM 521 OE2 GLU A 32 7.407 -34.046 -3.346 1.00 0.00 O ATOM 0 H GLU A 32 9.878 -35.746 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 32 11.819 -35.905 -2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.060 -33.455 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.735 -33.864 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.892 -32.279 -3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.480 -33.803 -4.667 1.00 0.00 H new ATOM 528 N THR A 33 8.926 -35.796 -0.968 1.00 0.00 N ATOM 529 CA THR A 33 8.368 -36.000 0.376 1.00 0.00 C ATOM 530 C THR A 33 7.707 -37.387 0.449 1.00 0.00 C ATOM 531 O THR A 33 6.575 -37.569 -0.018 1.00 0.00 O ATOM 532 CB THR A 33 7.366 -34.872 0.768 1.00 0.00 C ATOM 533 OG1 THR A 33 8.001 -33.605 0.705 1.00 0.00 O ATOM 534 CG2 THR A 33 6.894 -34.935 2.219 1.00 0.00 C ATOM 0 H THR A 33 8.222 -35.663 -1.694 1.00 0.00 H new ATOM 0 HA THR A 33 9.182 -35.954 1.099 1.00 0.00 H new ATOM 0 HB THR A 33 6.537 -35.008 0.074 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.996 -33.282 -0.220 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.200 -34.117 2.412 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.392 -35.886 2.397 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.752 -34.847 2.885 1.00 0.00 H new ATOM 542 N CYS A 34 8.425 -38.367 1.023 1.00 0.00 N ATOM 543 CA CYS A 34 8.009 -39.775 1.086 1.00 0.00 C ATOM 544 C CYS A 34 6.677 -40.025 1.807 1.00 0.00 C ATOM 545 O CYS A 34 5.884 -40.844 1.346 1.00 0.00 O ATOM 546 CB CYS A 34 9.075 -40.630 1.803 1.00 0.00 C ATOM 547 SG CYS A 34 10.690 -40.740 0.996 1.00 0.00 S ATOM 0 H CYS A 34 9.329 -38.197 1.465 1.00 0.00 H new ATOM 0 HA CYS A 34 7.885 -40.058 0.041 1.00 0.00 H new ATOM 0 HB2 CYS A 34 9.220 -40.226 2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.682 -41.640 1.920 1.00 0.00 H new ATOM 552 N GLU A 35 6.423 -39.324 2.920 1.00 0.00 N ATOM 553 CA GLU A 35 5.213 -39.502 3.729 1.00 0.00 C ATOM 554 C GLU A 35 3.904 -39.080 3.029 1.00 0.00 C ATOM 555 O GLU A 35 2.833 -39.475 3.478 1.00 0.00 O ATOM 556 CB GLU A 35 5.368 -38.791 5.097 1.00 0.00 C ATOM 557 CG GLU A 35 6.489 -39.438 5.967 1.00 0.00 C ATOM 558 CD GLU A 35 6.567 -38.861 7.382 1.00 0.00 C ATOM 559 OE1 GLU A 35 6.880 -37.684 7.535 1.00 0.00 O ATOM 560 OE2 GLU A 35 6.358 -39.626 8.328 1.00 0.00 O ATOM 0 H GLU A 35 7.057 -38.613 3.286 1.00 0.00 H new ATOM 0 HA GLU A 35 5.116 -40.577 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.597 -37.738 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.422 -38.832 5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.316 -40.512 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.450 -39.298 5.472 1.00 0.00 H new ATOM 567 N GLU A 36 3.955 -38.298 1.940 1.00 0.00 N ATOM 568 CA GLU A 36 2.812 -38.070 1.048 1.00 0.00 C ATOM 569 C GLU A 36 2.463 -39.358 0.259 1.00 0.00 C ATOM 570 O GLU A 36 1.327 -39.853 0.259 1.00 0.00 O ATOM 571 CB GLU A 36 3.204 -36.909 0.094 1.00 0.00 C ATOM 572 CG GLU A 36 2.047 -36.416 -0.831 1.00 0.00 C ATOM 573 CD GLU A 36 2.550 -35.895 -2.181 1.00 0.00 C ATOM 574 OE1 GLU A 36 3.307 -34.927 -2.216 1.00 0.00 O ATOM 575 OE2 GLU A 36 2.157 -36.485 -3.191 1.00 0.00 O ATOM 0 H GLU A 36 4.799 -37.803 1.653 1.00 0.00 H new ATOM 0 HA GLU A 36 1.921 -37.806 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.559 -36.069 0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.038 -37.233 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.348 -37.235 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.494 -35.625 -0.324 1.00 0.00 H new ATOM 582 N ARG A 37 3.506 -39.934 -0.359 1.00 0.00 N ATOM 583 CA ARG A 37 3.409 -41.178 -1.120 1.00 0.00 C ATOM 584 C ARG A 37 3.070 -42.344 -0.184 1.00 0.00 C ATOM 585 O ARG A 37 2.210 -43.152 -0.520 1.00 0.00 O ATOM 586 CB ARG A 37 4.709 -41.498 -1.918 1.00 0.00 C ATOM 587 CG ARG A 37 5.053 -40.542 -3.089 1.00 0.00 C ATOM 588 CD ARG A 37 5.675 -39.229 -2.623 1.00 0.00 C ATOM 589 NE ARG A 37 5.977 -38.381 -3.770 1.00 0.00 N ATOM 590 CZ ARG A 37 6.221 -37.105 -3.701 1.00 0.00 C ATOM 591 NH1 ARG A 37 6.312 -36.428 -2.621 1.00 0.00 N ATOM 592 NH2 ARG A 37 6.424 -36.472 -4.783 1.00 0.00 N ATOM 0 H ARG A 37 4.447 -39.541 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 37 2.610 -41.043 -1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.546 -41.499 -1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.625 -42.509 -2.316 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.742 -41.043 -3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.146 -40.328 -3.654 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.991 -38.713 -1.950 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.586 -39.429 -2.059 1.00 0.00 H new ATOM 0 HE ARG A 37 5.998 -38.819 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.190 -36.888 -1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.507 -35.428 -2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.393 -36.965 -5.676 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.618 -35.471 -4.760 1.00 0.00 H new ATOM 606 N ALA A 38 3.712 -42.452 0.983 1.00 0.00 N ATOM 607 CA ALA A 38 3.361 -43.449 1.988 1.00 0.00 C ATOM 608 C ALA A 38 2.228 -43.060 2.973 1.00 0.00 C ATOM 609 O ALA A 38 1.957 -43.783 3.931 1.00 0.00 O ATOM 610 CB ALA A 38 4.654 -43.977 2.603 1.00 0.00 C ATOM 0 H ALA A 38 4.489 -41.849 1.254 1.00 0.00 H new ATOM 0 HA ALA A 38 2.856 -44.280 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.418 -44.726 3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.269 -44.429 1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.200 -43.154 3.065 1.00 0.00 H new ATOM 616 N ALA A 39 1.558 -41.909 2.805 1.00 0.00 N ATOM 617 CA ALA A 39 0.132 -41.785 3.123 1.00 0.00 C ATOM 618 C ALA A 39 -0.768 -42.494 2.089 1.00 0.00 C ATOM 619 O ALA A 39 -1.860 -42.948 2.442 1.00 0.00 O ATOM 620 CB ALA A 39 -0.257 -40.298 3.242 1.00 0.00 C ATOM 0 H ALA A 39 1.984 -41.052 2.451 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.030 -42.282 4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.318 -40.217 3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.328 -39.831 4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.056 -39.793 2.297 1.00 0.00 H new ATOM 626 N ARG A 40 -0.384 -42.548 0.802 1.00 0.00 N ATOM 627 CA ARG A 40 -1.038 -43.443 -0.172 1.00 0.00 C ATOM 628 C ARG A 40 -0.661 -44.938 0.014 1.00 0.00 C ATOM 629 O ARG A 40 -1.540 -45.797 -0.083 1.00 0.00 O ATOM 630 CB ARG A 40 -0.759 -42.983 -1.629 1.00 0.00 C ATOM 631 CG ARG A 40 -1.163 -41.517 -1.918 1.00 0.00 C ATOM 632 CD ARG A 40 -0.948 -41.151 -3.392 1.00 0.00 C ATOM 633 NE ARG A 40 -1.133 -39.706 -3.553 1.00 0.00 N ATOM 634 CZ ARG A 40 -0.186 -38.807 -3.572 1.00 0.00 C ATOM 635 NH1 ARG A 40 1.058 -39.037 -3.396 1.00 0.00 N ATOM 636 NH2 ARG A 40 -0.485 -37.585 -3.761 1.00 0.00 N ATOM 0 H ARG A 40 0.372 -41.986 0.412 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.108 -43.369 0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.304 -43.104 -1.839 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.296 -43.638 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.210 -41.369 -1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.579 -40.847 -1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.053 -41.441 -3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.652 -41.694 -4.022 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.091 -39.371 -3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.381 -39.989 -3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.728 -38.269 -3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.459 -37.313 -3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.249 -36.877 -3.777 1.00 0.00 H new ATOM 650 N ILE A 41 0.618 -45.304 0.223 1.00 0.00 N ATOM 651 CA ILE A 41 1.054 -46.638 0.670 1.00 0.00 C ATOM 652 C ILE A 41 0.652 -46.951 2.135 1.00 0.00 C ATOM 653 O ILE A 41 1.355 -46.819 3.137 1.00 0.00 O ATOM 654 CB ILE A 41 2.551 -46.961 0.344 1.00 0.00 C ATOM 655 CG1 ILE A 41 2.855 -46.909 -1.171 1.00 0.00 C ATOM 656 CG2 ILE A 41 2.959 -48.333 0.806 1.00 0.00 C ATOM 657 CD1 ILE A 41 3.654 -45.666 -1.444 1.00 0.00 C ATOM 0 H ILE A 41 1.397 -44.661 0.081 1.00 0.00 H new ATOM 0 HA ILE A 41 0.488 -47.341 0.059 1.00 0.00 H new ATOM 0 HB ILE A 41 3.110 -46.191 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.412 -47.794 -1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.928 -46.900 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.006 -48.505 0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.828 -48.407 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.340 -49.082 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.882 -45.606 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.077 -44.790 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.583 -45.699 -0.876 1.00 0.00 H new ATOM 669 N LYS A 42 -0.586 -47.422 2.125 1.00 0.00 N ATOM 670 CA LYS A 42 -1.395 -47.789 3.295 1.00 0.00 C ATOM 671 C LYS A 42 -1.362 -49.281 3.696 1.00 0.00 C ATOM 672 O LYS A 42 -2.150 -49.694 4.550 1.00 0.00 O ATOM 673 CB LYS A 42 -2.869 -47.356 3.044 1.00 0.00 C ATOM 674 CG LYS A 42 -3.129 -45.860 3.295 1.00 0.00 C ATOM 675 CD LYS A 42 -4.620 -45.522 3.079 1.00 0.00 C ATOM 676 CE LYS A 42 -4.987 -44.069 3.406 1.00 0.00 C ATOM 677 NZ LYS A 42 -4.376 -43.176 2.429 1.00 0.00 N ATOM 0 H LYS A 42 -1.090 -47.570 1.251 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.944 -47.262 4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.137 -47.594 2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.525 -47.942 3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.836 -45.600 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.514 -45.261 2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.881 -45.726 2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.225 -46.186 3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.070 -43.947 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.645 -43.814 4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.584 -42.189 2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.346 -43.322 2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.761 -43.379 1.484 1.00 0.00 H new ATOM 691 N ILE A 43 -0.460 -50.098 3.132 1.00 0.00 N ATOM 692 CA ILE A 43 -0.498 -51.568 3.236 1.00 0.00 C ATOM 693 C ILE A 43 -0.335 -52.103 4.680 1.00 0.00 C ATOM 694 O ILE A 43 -0.966 -53.100 5.041 1.00 0.00 O ATOM 695 CB ILE A 43 0.541 -52.180 2.228 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.359 -51.714 0.747 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.633 -53.727 2.265 1.00 0.00 C ATOM 698 CD1 ILE A 43 -1.005 -52.020 0.078 1.00 0.00 C ATOM 0 H ILE A 43 0.328 -49.754 2.583 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.498 -51.899 2.957 1.00 0.00 H new ATOM 0 HB ILE A 43 1.482 -51.773 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.522 -50.637 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.142 -52.177 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.373 -54.065 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.930 -54.050 3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.339 -54.155 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.000 -51.645 -0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.173 -53.097 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.803 -51.533 0.639 1.00 0.00 H new ATOM 710 N GLY A 44 0.472 -51.453 5.533 1.00 0.00 N ATOM 711 CA GLY A 44 0.544 -51.793 6.962 1.00 0.00 C ATOM 712 C GLY A 44 1.480 -50.898 7.806 1.00 0.00 C ATOM 713 O GLY A 44 2.340 -50.236 7.216 1.00 0.00 O ATOM 0 H GLY A 44 1.086 -50.687 5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.460 -51.739 7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.874 -52.827 7.057 1.00 0.00 H new ATOM 717 N PRO A 45 1.382 -50.840 9.161 1.00 0.00 N ATOM 718 CA PRO A 45 2.313 -50.106 10.049 1.00 0.00 C ATOM 719 C PRO A 45 3.809 -50.434 9.857 1.00 0.00 C ATOM 720 O PRO A 45 4.645 -49.533 9.746 1.00 0.00 O ATOM 721 CB PRO A 45 1.844 -50.499 11.461 1.00 0.00 C ATOM 722 CG PRO A 45 0.353 -50.656 11.268 1.00 0.00 C ATOM 723 CD PRO A 45 0.273 -51.406 9.941 1.00 0.00 C ATOM 0 HA PRO A 45 2.273 -49.038 9.834 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.310 -51.423 11.803 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.081 -49.731 12.198 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.105 -51.219 12.081 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.155 -49.693 11.222 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.387 -52.481 10.080 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.686 -51.248 9.448 1.00 0.00 H new ATOM 731 N LYS A 46 4.133 -51.734 9.791 1.00 0.00 N ATOM 732 CA LYS A 46 5.485 -52.221 9.504 1.00 0.00 C ATOM 733 C LYS A 46 5.922 -51.931 8.045 1.00 0.00 C ATOM 734 O LYS A 46 7.119 -51.790 7.778 1.00 0.00 O ATOM 735 CB LYS A 46 5.550 -53.721 9.898 1.00 0.00 C ATOM 736 CG LYS A 46 6.982 -54.310 9.915 1.00 0.00 C ATOM 737 CD LYS A 46 7.002 -55.752 10.466 1.00 0.00 C ATOM 738 CE LYS A 46 8.369 -56.408 10.277 1.00 0.00 C ATOM 739 NZ LYS A 46 8.259 -57.796 10.703 1.00 0.00 N ATOM 0 H LYS A 46 3.455 -52.482 9.937 1.00 0.00 H new ATOM 0 HA LYS A 46 6.215 -51.676 10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.106 -53.845 10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.941 -54.295 9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.391 -54.301 8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.628 -53.679 10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.747 -55.741 11.526 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.240 -56.346 9.961 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.679 -56.352 9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.127 -55.888 10.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.178 -58.269 10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.977 -57.831 11.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.543 -58.281 10.125 1.00 0.00 H new ATOM 753 N CYS A 47 4.961 -51.777 7.114 1.00 0.00 N ATOM 754 CA CYS A 47 5.220 -51.341 5.738 1.00 0.00 C ATOM 755 C CYS A 47 5.650 -49.861 5.708 1.00 0.00 C ATOM 756 O CYS A 47 6.729 -49.578 5.181 1.00 0.00 O ATOM 757 CB CYS A 47 3.975 -51.564 4.825 1.00 0.00 C ATOM 758 SG CYS A 47 4.263 -52.536 3.324 1.00 0.00 S ATOM 0 H CYS A 47 3.975 -51.955 7.303 1.00 0.00 H new ATOM 0 HA CYS A 47 6.035 -51.950 5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.201 -52.058 5.412 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.582 -50.590 4.535 1.00 0.00 H new ATOM 763 N VAL A 48 4.854 -48.910 6.246 1.00 0.00 N ATOM 764 CA VAL A 48 5.288 -47.518 6.451 1.00 0.00 C ATOM 765 C VAL A 48 6.630 -47.367 7.194 1.00 0.00 C ATOM 766 O VAL A 48 7.452 -46.526 6.828 1.00 0.00 O ATOM 767 CB VAL A 48 4.231 -46.620 7.185 1.00 0.00 C ATOM 768 CG1 VAL A 48 4.044 -45.359 6.373 1.00 0.00 C ATOM 769 CG2 VAL A 48 2.833 -47.196 7.385 1.00 0.00 C ATOM 0 H VAL A 48 3.896 -49.089 6.548 1.00 0.00 H new ATOM 0 HA VAL A 48 5.412 -47.170 5.426 1.00 0.00 H new ATOM 0 HB VAL A 48 4.650 -46.488 8.183 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.313 -44.716 6.863 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.995 -44.832 6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.689 -45.618 5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.210 -46.468 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.391 -47.425 6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.897 -48.108 7.979 1.00 0.00 H new ATOM 779 N LYS A 49 6.836 -48.171 8.247 1.00 0.00 N ATOM 780 CA LYS A 49 8.119 -48.253 8.962 1.00 0.00 C ATOM 781 C LYS A 49 9.331 -48.659 8.086 1.00 0.00 C ATOM 782 O LYS A 49 10.363 -47.973 8.134 1.00 0.00 O ATOM 783 CB LYS A 49 7.965 -49.227 10.161 1.00 0.00 C ATOM 784 CG LYS A 49 8.176 -48.585 11.553 1.00 0.00 C ATOM 785 CD LYS A 49 9.320 -49.242 12.366 1.00 0.00 C ATOM 786 CE LYS A 49 10.694 -48.585 12.191 1.00 0.00 C ATOM 787 NZ LYS A 49 11.242 -48.827 10.859 1.00 0.00 N ATOM 0 H LYS A 49 6.116 -48.785 8.628 1.00 0.00 H new ATOM 0 HA LYS A 49 8.348 -47.242 9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.968 -49.667 10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.678 -50.043 10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.393 -47.524 11.427 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.249 -48.655 12.122 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.055 -49.220 13.423 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.395 -50.291 12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.608 -47.512 12.360 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.381 -48.972 12.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.256 -48.597 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.113 -49.828 10.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.748 -48.229 10.166 1.00 0.00 H new ATOM 801 N ALA A 50 9.234 -49.772 7.334 1.00 0.00 N ATOM 802 CA ALA A 50 10.222 -50.180 6.323 1.00 0.00 C ATOM 803 C ALA A 50 10.424 -49.066 5.268 1.00 0.00 C ATOM 804 O ALA A 50 11.559 -48.661 5.002 1.00 0.00 O ATOM 805 CB ALA A 50 9.702 -51.492 5.683 1.00 0.00 C ATOM 0 H ALA A 50 8.453 -50.422 7.415 1.00 0.00 H new ATOM 0 HA ALA A 50 11.199 -50.348 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.407 -51.831 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.601 -52.257 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.731 -51.312 5.221 1.00 0.00 H new ATOM 811 N PHE A 51 9.306 -48.518 4.750 1.00 0.00 N ATOM 812 CA PHE A 51 9.278 -47.406 3.792 1.00 0.00 C ATOM 813 C PHE A 51 10.053 -46.174 4.298 1.00 0.00 C ATOM 814 O PHE A 51 10.950 -45.698 3.602 1.00 0.00 O ATOM 815 CB PHE A 51 7.782 -47.032 3.543 1.00 0.00 C ATOM 816 CG PHE A 51 7.522 -46.315 2.211 1.00 0.00 C ATOM 817 CD1 PHE A 51 8.012 -45.048 1.927 1.00 0.00 C ATOM 818 CD2 PHE A 51 6.835 -46.962 1.201 1.00 0.00 C ATOM 819 CE1 PHE A 51 7.854 -44.477 0.678 1.00 0.00 C ATOM 820 CE2 PHE A 51 6.676 -46.406 -0.036 1.00 0.00 C ATOM 821 CZ PHE A 51 7.191 -45.160 -0.315 1.00 0.00 C ATOM 0 H PHE A 51 8.374 -48.850 4.997 1.00 0.00 H new ATOM 0 HA PHE A 51 9.767 -47.722 2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.182 -47.942 3.575 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.439 -46.395 4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.528 -44.496 2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.411 -47.936 1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.252 -43.492 0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.142 -46.948 -0.802 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.076 -44.726 -1.297 1.00 0.00 H new ATOM 831 N LYS A 52 9.719 -45.659 5.493 1.00 0.00 N ATOM 832 CA LYS A 52 10.383 -44.491 6.071 1.00 0.00 C ATOM 833 C LYS A 52 11.879 -44.718 6.405 1.00 0.00 C ATOM 834 O LYS A 52 12.686 -43.809 6.176 1.00 0.00 O ATOM 835 CB LYS A 52 9.548 -43.964 7.271 1.00 0.00 C ATOM 836 CG LYS A 52 10.170 -42.750 8.010 1.00 0.00 C ATOM 837 CD LYS A 52 9.155 -41.748 8.599 1.00 0.00 C ATOM 838 CE LYS A 52 8.184 -42.310 9.637 1.00 0.00 C ATOM 839 NZ LYS A 52 7.397 -41.185 10.133 1.00 0.00 N ATOM 0 H LYS A 52 8.980 -46.045 6.081 1.00 0.00 H new ATOM 0 HA LYS A 52 10.416 -43.712 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.557 -43.685 6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.411 -44.776 7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.800 -43.121 8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.821 -42.218 7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.708 -40.927 9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.575 -41.325 7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.538 -43.067 9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.725 -42.792 10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.642 -41.537 10.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.013 -40.539 10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.975 -40.676 9.330 1.00 0.00 H new ATOM 853 N ASP A 53 12.294 -45.896 6.910 1.00 0.00 N ATOM 854 CA ASP A 53 13.723 -46.205 7.084 1.00 0.00 C ATOM 855 C ASP A 53 14.530 -46.212 5.760 1.00 0.00 C ATOM 856 O ASP A 53 15.589 -45.572 5.632 1.00 0.00 O ATOM 857 CB ASP A 53 13.849 -47.553 7.851 1.00 0.00 C ATOM 858 CG ASP A 53 14.230 -47.325 9.309 1.00 0.00 C ATOM 859 OD1 ASP A 53 15.352 -46.916 9.581 1.00 0.00 O ATOM 860 OD2 ASP A 53 13.396 -47.560 10.189 1.00 0.00 O ATOM 0 H ASP A 53 11.664 -46.643 7.202 1.00 0.00 H new ATOM 0 HA ASP A 53 14.172 -45.401 7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.904 -48.093 7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.600 -48.179 7.370 1.00 0.00 H new ATOM 865 N CYS A 54 14.030 -46.937 4.753 1.00 0.00 N ATOM 866 CA CYS A 54 14.599 -46.871 3.408 1.00 0.00 C ATOM 867 C CYS A 54 14.459 -45.488 2.719 1.00 0.00 C ATOM 868 O CYS A 54 15.302 -45.165 1.879 1.00 0.00 O ATOM 869 CB CYS A 54 14.035 -48.015 2.565 1.00 0.00 C ATOM 870 SG CYS A 54 14.831 -49.645 2.711 1.00 0.00 S ATOM 0 H CYS A 54 13.237 -47.572 4.846 1.00 0.00 H new ATOM 0 HA CYS A 54 15.678 -46.996 3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 54 12.982 -48.132 2.820 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.078 -47.713 1.518 1.00 0.00 H new ATOM 875 N CYS A 55 13.446 -44.654 3.027 1.00 0.00 N ATOM 876 CA CYS A 55 13.432 -43.222 2.674 1.00 0.00 C ATOM 877 C CYS A 55 14.590 -42.423 3.316 1.00 0.00 C ATOM 878 O CYS A 55 15.137 -41.528 2.662 1.00 0.00 O ATOM 879 CB CYS A 55 12.068 -42.584 3.035 1.00 0.00 C ATOM 880 SG CYS A 55 11.895 -40.827 2.612 1.00 0.00 S ATOM 0 H CYS A 55 12.612 -44.957 3.530 1.00 0.00 H new ATOM 0 HA CYS A 55 13.581 -43.171 1.595 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.280 -43.142 2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.904 -42.700 4.106 1.00 0.00 H new ATOM 885 N TYR A 56 14.976 -42.695 4.575 1.00 0.00 N ATOM 886 CA TYR A 56 16.236 -42.185 5.139 1.00 0.00 C ATOM 887 C TYR A 56 17.474 -42.610 4.322 1.00 0.00 C ATOM 888 O TYR A 56 18.352 -41.773 4.094 1.00 0.00 O ATOM 889 CB TYR A 56 16.401 -42.589 6.627 1.00 0.00 C ATOM 890 CG TYR A 56 15.667 -41.615 7.559 1.00 0.00 C ATOM 891 CD1 TYR A 56 14.336 -41.784 7.898 1.00 0.00 C ATOM 892 CD2 TYR A 56 16.331 -40.533 8.114 1.00 0.00 C ATOM 893 CE1 TYR A 56 13.692 -40.916 8.758 1.00 0.00 C ATOM 894 CE2 TYR A 56 15.695 -39.659 8.973 1.00 0.00 C ATOM 895 CZ TYR A 56 14.376 -39.852 9.294 1.00 0.00 C ATOM 896 OH TYR A 56 13.764 -38.988 10.142 1.00 0.00 O ATOM 0 H TYR A 56 14.432 -43.266 5.221 1.00 0.00 H new ATOM 0 HA TYR A 56 16.171 -41.098 5.081 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.015 -43.597 6.776 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.460 -42.612 6.884 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.787 -42.615 7.480 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.370 -40.369 7.869 1.00 0.00 H new ATOM 0 HE1 TYR A 56 12.653 -41.073 9.008 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.236 -38.824 9.392 1.00 0.00 H new ATOM 0 HH TYR A 56 14.401 -38.298 10.422 1.00 0.00 H new ATOM 906 N ILE A 57 17.561 -43.876 3.869 1.00 0.00 N ATOM 907 CA ILE A 57 18.584 -44.271 2.870 1.00 0.00 C ATOM 908 C ILE A 57 18.476 -43.520 1.529 1.00 0.00 C ATOM 909 O ILE A 57 19.491 -43.047 1.010 1.00 0.00 O ATOM 910 CB ILE A 57 18.614 -45.820 2.634 1.00 0.00 C ATOM 911 CG1 ILE A 57 18.857 -46.617 3.930 1.00 0.00 C ATOM 912 CG2 ILE A 57 19.616 -46.309 1.551 1.00 0.00 C ATOM 913 CD1 ILE A 57 20.024 -46.118 4.802 1.00 0.00 C ATOM 0 H ILE A 57 16.949 -44.634 4.170 1.00 0.00 H new ATOM 0 HA ILE A 57 19.532 -43.970 3.315 1.00 0.00 H new ATOM 0 HB ILE A 57 17.611 -46.020 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 57 17.945 -46.596 4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.041 -47.659 3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 57 19.558 -47.394 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.365 -45.856 0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 57 20.628 -46.021 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.110 -46.746 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.951 -46.167 4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.838 -45.087 5.104 1.00 0.00 H new ATOM 925 N ALA A 58 17.267 -43.408 0.971 1.00 0.00 N ATOM 926 CA ALA A 58 17.005 -42.604 -0.233 1.00 0.00 C ATOM 927 C ALA A 58 17.435 -41.127 -0.085 1.00 0.00 C ATOM 928 O ALA A 58 18.040 -40.574 -1.005 1.00 0.00 O ATOM 929 CB ALA A 58 15.522 -42.687 -0.630 1.00 0.00 C ATOM 0 H ALA A 58 16.438 -43.873 1.341 1.00 0.00 H new ATOM 0 HA ALA A 58 17.619 -43.033 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.350 -42.085 -1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.258 -43.724 -0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 58 14.905 -42.310 0.186 1.00 0.00 H new ATOM 935 N ASN A 59 17.153 -40.490 1.063 1.00 0.00 N ATOM 936 CA ASN A 59 17.667 -39.155 1.392 1.00 0.00 C ATOM 937 C ASN A 59 19.192 -39.080 1.595 1.00 0.00 C ATOM 938 O ASN A 59 19.783 -38.046 1.271 1.00 0.00 O ATOM 939 CB ASN A 59 16.881 -38.529 2.568 1.00 0.00 C ATOM 940 CG ASN A 59 15.505 -38.073 2.081 1.00 0.00 C ATOM 941 OD1 ASN A 59 15.262 -36.890 1.876 1.00 0.00 O ATOM 942 ND2 ASN A 59 14.566 -38.965 1.841 1.00 0.00 N ATOM 0 H ASN A 59 16.560 -40.890 1.790 1.00 0.00 H new ATOM 0 HA ASN A 59 17.492 -38.548 0.504 1.00 0.00 H new ATOM 0 HB2 ASN A 59 16.771 -39.256 3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.432 -37.682 2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.656 -38.666 1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.749 -39.955 2.005 1.00 0.00 H new ATOM 949 N GLN A 60 19.854 -40.127 2.113 1.00 0.00 N ATOM 950 CA GLN A 60 21.314 -40.246 2.014 1.00 0.00 C ATOM 951 C GLN A 60 21.811 -40.349 0.558 1.00 0.00 C ATOM 952 O GLN A 60 22.788 -39.681 0.225 1.00 0.00 O ATOM 953 CB GLN A 60 21.849 -41.431 2.844 1.00 0.00 C ATOM 954 CG GLN A 60 21.731 -41.197 4.371 1.00 0.00 C ATOM 955 CD GLN A 60 22.482 -42.275 5.150 1.00 0.00 C ATOM 956 OE1 GLN A 60 21.898 -43.060 5.887 1.00 0.00 O ATOM 957 NE2 GLN A 60 23.795 -42.363 5.037 1.00 0.00 N ATOM 0 H GLN A 60 19.402 -40.899 2.602 1.00 0.00 H new ATOM 0 HA GLN A 60 21.713 -39.321 2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.300 -42.334 2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.894 -41.606 2.588 1.00 0.00 H new ATOM 0 HG2 GLN A 60 22.131 -40.215 4.624 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.681 -41.198 4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 60 24.299 -41.718 4.428 1.00 0.00 H new ATOM 0 HE22 GLN A 60 24.305 -43.076 5.559 1.00 0.00 H new ATOM 966 N VAL A 61 21.168 -41.140 -0.318 1.00 0.00 N ATOM 967 CA VAL A 61 21.477 -41.186 -1.761 1.00 0.00 C ATOM 968 C VAL A 61 21.232 -39.833 -2.475 1.00 0.00 C ATOM 969 O VAL A 61 21.953 -39.503 -3.422 1.00 0.00 O ATOM 970 CB VAL A 61 20.702 -42.370 -2.441 1.00 0.00 C ATOM 971 CG1 VAL A 61 20.919 -42.500 -3.966 1.00 0.00 C ATOM 972 CG2 VAL A 61 21.101 -43.731 -1.830 1.00 0.00 C ATOM 0 H VAL A 61 20.414 -41.770 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 61 22.546 -41.373 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 61 19.657 -42.123 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 61 20.344 -43.345 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 61 20.589 -41.586 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.977 -42.661 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 61 20.546 -44.528 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 61 22.170 -43.893 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.869 -43.734 -0.765 1.00 0.00 H new ATOM 982 N ARG A 62 20.227 -39.037 -2.068 1.00 0.00 N ATOM 983 CA ARG A 62 20.082 -37.635 -2.497 1.00 0.00 C ATOM 984 C ARG A 62 21.266 -36.738 -2.069 1.00 0.00 C ATOM 985 O ARG A 62 21.773 -35.969 -2.887 1.00 0.00 O ATOM 986 CB ARG A 62 18.768 -37.013 -1.951 1.00 0.00 C ATOM 987 CG ARG A 62 17.478 -37.723 -2.412 1.00 0.00 C ATOM 988 CD ARG A 62 16.241 -37.134 -1.725 1.00 0.00 C ATOM 989 NE ARG A 62 15.125 -38.045 -1.963 1.00 0.00 N ATOM 990 CZ ARG A 62 13.899 -37.865 -1.569 1.00 0.00 C ATOM 991 NH1 ARG A 62 13.534 -36.967 -0.729 1.00 0.00 N ATOM 992 NH2 ARG A 62 13.028 -38.660 -2.044 1.00 0.00 N ATOM 0 H ARG A 62 19.493 -39.348 -1.432 1.00 0.00 H new ATOM 0 HA ARG A 62 20.060 -37.670 -3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.803 -37.023 -0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.721 -35.968 -2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.375 -37.629 -3.493 1.00 0.00 H new ATOM 0 HG3 ARG A 62 17.547 -38.788 -2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.417 -37.016 -0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.018 -36.144 -2.122 1.00 0.00 H new ATOM 0 HE ARG A 62 15.325 -38.898 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.226 -36.336 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.552 -36.884 -0.466 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.308 -39.391 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.050 -38.567 -1.771 1.00 0.00 H new ATOM 1006 N ALA A 63 21.700 -36.811 -0.800 1.00 0.00 N ATOM 1007 CA ALA A 63 22.816 -36.015 -0.281 1.00 0.00 C ATOM 1008 C ALA A 63 24.217 -36.540 -0.664 1.00 0.00 C ATOM 1009 O ALA A 63 25.032 -35.778 -1.191 1.00 0.00 O ATOM 1010 CB ALA A 63 22.661 -35.919 1.251 1.00 0.00 C ATOM 0 H ALA A 63 21.282 -37.429 -0.104 1.00 0.00 H new ATOM 0 HA ALA A 63 22.762 -35.032 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 63 23.481 -35.330 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 63 21.712 -35.439 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 63 22.680 -36.920 1.682 1.00 0.00 H new ATOM 1016 N GLU A 64 24.534 -37.825 -0.443 1.00 0.00 N ATOM 1017 CA GLU A 64 25.862 -38.392 -0.714 1.00 0.00 C ATOM 1018 C GLU A 64 25.999 -38.820 -2.195 1.00 0.00 C ATOM 1019 O GLU A 64 26.207 -39.985 -2.545 1.00 0.00 O ATOM 1020 CB GLU A 64 26.108 -39.574 0.270 1.00 0.00 C ATOM 1021 CG GLU A 64 26.115 -39.140 1.769 1.00 0.00 C ATOM 1022 CD GLU A 64 26.248 -40.326 2.727 1.00 0.00 C ATOM 1023 OE1 GLU A 64 27.362 -40.806 2.920 1.00 0.00 O ATOM 1024 OE2 GLU A 64 25.235 -40.744 3.289 1.00 0.00 O ATOM 0 H GLU A 64 23.871 -38.504 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 64 26.629 -37.635 -0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 64 25.335 -40.328 0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 64 27.062 -40.044 0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 64 26.939 -38.447 1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 64 25.194 -38.600 1.991 1.00 0.00 H new