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 -37:sc= 1.5 USER MOD Set 1.2: A 23 TYR OH : rot -30:sc= 0.955 USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 1.14 (180deg=1.11) 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+ -160:sc= 1.13 (180deg=0.971) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 1.04 (180deg=0.899) 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 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= 1.06 (180deg=0.884) USER MOD Single : A 46 LYS NZ :NH3+ -140:sc= 1.21 (180deg=0.963) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 1.08 (180deg=0.782) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.729 K(o=0.73,f=-7.3!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 17.806 -50.412 5.351 1.00 0.00 N ATOM 101 CA ILE A 6 17.549 -50.905 3.973 1.00 0.00 C ATOM 102 C ILE A 6 17.935 -52.387 3.872 1.00 0.00 C ATOM 103 O ILE A 6 17.147 -53.168 3.343 1.00 0.00 O ATOM 104 CB ILE A 6 18.254 -50.135 2.787 1.00 0.00 C ATOM 105 CG1 ILE A 6 17.888 -48.641 2.730 1.00 0.00 C ATOM 106 CG2 ILE A 6 17.990 -50.740 1.352 1.00 0.00 C ATOM 107 CD1 ILE A 6 18.981 -47.759 3.344 1.00 0.00 C ATOM 0 HA ILE A 6 16.482 -50.726 3.837 1.00 0.00 H new ATOM 0 HB ILE A 6 19.310 -50.259 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.725 -48.347 1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 6 16.950 -48.477 3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.514 -50.145 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.353 -51.767 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 6 16.920 -50.726 1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 6 18.681 -46.713 3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.126 -48.034 4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 6 19.913 -47.902 2.798 1.00 0.00 H new ATOM 119 N GLU A 7 19.108 -52.773 4.407 1.00 0.00 N ATOM 120 CA GLU A 7 19.541 -54.168 4.459 1.00 0.00 C ATOM 121 C GLU A 7 18.549 -55.056 5.232 1.00 0.00 C ATOM 122 O GLU A 7 18.093 -56.007 4.619 1.00 0.00 O ATOM 123 CB GLU A 7 20.968 -54.250 5.043 1.00 0.00 C ATOM 124 CG GLU A 7 21.651 -55.638 4.876 1.00 0.00 C ATOM 125 CD GLU A 7 23.049 -55.662 5.491 1.00 0.00 C ATOM 126 OE1 GLU A 7 23.158 -55.942 6.687 1.00 0.00 O ATOM 127 OE2 GLU A 7 24.012 -55.407 4.775 1.00 0.00 O ATOM 0 H GLU A 7 19.778 -52.120 4.814 1.00 0.00 H new ATOM 0 HA GLU A 7 19.561 -54.559 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 7 21.588 -53.493 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 7 20.928 -54.003 6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.035 -56.405 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.716 -55.886 3.816 1.00 0.00 H new ATOM 134 N GLU A 8 18.114 -54.841 6.484 1.00 0.00 N ATOM 135 CA GLU A 8 17.158 -55.756 7.138 1.00 0.00 C ATOM 136 C GLU A 8 15.765 -55.824 6.468 1.00 0.00 C ATOM 137 O GLU A 8 15.042 -56.801 6.683 1.00 0.00 O ATOM 138 CB GLU A 8 16.963 -55.404 8.642 1.00 0.00 C ATOM 139 CG GLU A 8 18.242 -55.350 9.532 1.00 0.00 C ATOM 140 CD GLU A 8 19.105 -56.613 9.512 1.00 0.00 C ATOM 141 OE1 GLU A 8 18.586 -57.716 9.721 1.00 0.00 O ATOM 142 OE2 GLU A 8 20.313 -56.468 9.318 1.00 0.00 O ATOM 0 H GLU A 8 18.404 -54.051 7.060 1.00 0.00 H new ATOM 0 HA GLU A 8 17.620 -56.737 7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.469 -54.434 8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.281 -56.136 9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 8 18.853 -54.507 9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.941 -55.152 10.561 1.00 0.00 H new ATOM 149 N GLU A 9 15.345 -54.814 5.689 1.00 0.00 N ATOM 150 CA GLU A 9 14.216 -54.969 4.763 1.00 0.00 C ATOM 151 C GLU A 9 14.616 -55.696 3.458 1.00 0.00 C ATOM 152 O GLU A 9 14.184 -56.825 3.224 1.00 0.00 O ATOM 153 CB GLU A 9 13.592 -53.571 4.509 1.00 0.00 C ATOM 154 CG GLU A 9 12.954 -52.939 5.791 1.00 0.00 C ATOM 155 CD GLU A 9 11.659 -53.629 6.228 1.00 0.00 C ATOM 156 OE1 GLU A 9 10.660 -53.530 5.524 1.00 0.00 O ATOM 157 OE2 GLU A 9 11.645 -54.261 7.286 1.00 0.00 O ATOM 0 H GLU A 9 15.769 -53.886 5.683 1.00 0.00 H new ATOM 0 HA GLU A 9 13.464 -55.614 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.362 -52.901 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.829 -53.656 3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.675 -52.985 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.750 -51.885 5.605 1.00 0.00 H new ATOM 164 N ALA A 10 15.423 -55.070 2.592 1.00 0.00 N ATOM 165 CA ALA A 10 15.890 -55.644 1.319 1.00 0.00 C ATOM 166 C ALA A 10 16.994 -56.741 1.335 1.00 0.00 C ATOM 167 O ALA A 10 17.465 -57.109 0.258 1.00 0.00 O ATOM 168 CB ALA A 10 16.286 -54.448 0.433 1.00 0.00 C ATOM 0 H ALA A 10 15.779 -54.129 2.759 1.00 0.00 H new ATOM 0 HA ALA A 10 15.058 -56.235 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.643 -54.811 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.419 -53.806 0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.077 -53.879 0.922 1.00 0.00 H new ATOM 174 N ALA A 11 17.518 -57.265 2.448 1.00 0.00 N ATOM 175 CA ALA A 11 18.161 -58.587 2.502 1.00 0.00 C ATOM 176 C ALA A 11 17.131 -59.719 2.636 1.00 0.00 C ATOM 177 O ALA A 11 17.097 -60.684 1.869 1.00 0.00 O ATOM 178 CB ALA A 11 19.162 -58.641 3.687 1.00 0.00 C ATOM 0 H ALA A 11 17.509 -56.781 3.346 1.00 0.00 H new ATOM 0 HA ALA A 11 18.695 -58.734 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 11 19.634 -59.623 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.926 -57.875 3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.630 -58.462 4.621 1.00 0.00 H new ATOM 184 N LYS A 12 16.247 -59.544 3.622 1.00 0.00 N ATOM 185 CA LYS A 12 15.253 -60.532 4.019 1.00 0.00 C ATOM 186 C LYS A 12 14.003 -60.459 3.117 1.00 0.00 C ATOM 187 O LYS A 12 12.896 -60.102 3.523 1.00 0.00 O ATOM 188 CB LYS A 12 14.971 -60.315 5.531 1.00 0.00 C ATOM 189 CG LYS A 12 16.164 -60.782 6.402 1.00 0.00 C ATOM 190 CD LYS A 12 16.150 -60.191 7.825 1.00 0.00 C ATOM 191 CE LYS A 12 17.279 -60.795 8.662 1.00 0.00 C ATOM 192 NZ LYS A 12 17.420 -60.028 9.894 1.00 0.00 N ATOM 0 H LYS A 12 16.206 -58.689 4.177 1.00 0.00 H new ATOM 0 HA LYS A 12 15.617 -61.550 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.774 -59.259 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.073 -60.863 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.152 -61.870 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.095 -60.503 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.263 -59.108 7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.189 -60.391 8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.061 -61.838 8.891 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.213 -60.780 8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.163 -60.453 10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.679 -59.047 9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.519 -60.036 10.413 1.00 0.00 H new ATOM 206 N TYR A 13 14.238 -60.850 1.854 1.00 0.00 N ATOM 207 CA TYR A 13 13.246 -60.943 0.771 1.00 0.00 C ATOM 208 C TYR A 13 11.980 -61.796 1.046 1.00 0.00 C ATOM 209 O TYR A 13 11.089 -61.862 0.198 1.00 0.00 O ATOM 210 CB TYR A 13 13.984 -61.440 -0.512 1.00 0.00 C ATOM 211 CG TYR A 13 14.552 -60.322 -1.416 1.00 0.00 C ATOM 212 CD1 TYR A 13 15.034 -59.097 -0.964 1.00 0.00 C ATOM 213 CD2 TYR A 13 14.598 -60.533 -2.787 1.00 0.00 C ATOM 214 CE1 TYR A 13 15.527 -58.151 -1.843 1.00 0.00 C ATOM 215 CE2 TYR A 13 15.089 -59.585 -3.666 1.00 0.00 C ATOM 216 CZ TYR A 13 15.550 -58.387 -3.191 1.00 0.00 C ATOM 217 OH TYR A 13 16.007 -57.442 -4.054 1.00 0.00 O ATOM 0 H TYR A 13 15.171 -61.123 1.545 1.00 0.00 H new ATOM 0 HA TYR A 13 12.834 -59.940 0.657 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.803 -62.094 -0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 13 13.293 -62.044 -1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 13 15.023 -58.881 0.094 1.00 0.00 H new ATOM 0 HD2 TYR A 13 14.237 -61.471 -3.182 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.899 -57.212 -1.461 1.00 0.00 H new ATOM 0 HE2 TYR A 13 15.109 -59.790 -4.726 1.00 0.00 H new ATOM 0 HH TYR A 13 15.740 -56.554 -3.738 1.00 0.00 H new ATOM 227 N LYS A 14 11.878 -62.467 2.205 1.00 0.00 N ATOM 228 CA LYS A 14 10.603 -62.892 2.793 1.00 0.00 C ATOM 229 C LYS A 14 9.659 -61.700 3.070 1.00 0.00 C ATOM 230 O LYS A 14 8.437 -61.830 2.962 1.00 0.00 O ATOM 231 CB LYS A 14 10.867 -63.664 4.112 1.00 0.00 C ATOM 232 CG LYS A 14 11.548 -65.036 3.901 1.00 0.00 C ATOM 233 CD LYS A 14 11.743 -65.769 5.248 1.00 0.00 C ATOM 234 CE LYS A 14 12.285 -67.200 5.119 1.00 0.00 C ATOM 235 NZ LYS A 14 13.672 -67.165 4.676 1.00 0.00 N ATOM 0 H LYS A 14 12.689 -62.731 2.764 1.00 0.00 H new ATOM 0 HA LYS A 14 10.110 -63.540 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.494 -63.053 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.920 -63.814 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.942 -65.649 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.514 -64.896 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.427 -65.189 5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.788 -65.801 5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.213 -67.714 6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.681 -67.765 4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.034 -68.136 4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.729 -66.691 3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.245 -66.642 5.369 1.00 0.00 H new ATOM 249 N TYR A 15 10.203 -60.516 3.395 1.00 0.00 N ATOM 250 CA TYR A 15 9.439 -59.270 3.518 1.00 0.00 C ATOM 251 C TYR A 15 9.162 -58.640 2.130 1.00 0.00 C ATOM 252 O TYR A 15 9.468 -57.476 1.856 1.00 0.00 O ATOM 253 CB TYR A 15 10.237 -58.296 4.439 1.00 0.00 C ATOM 254 CG TYR A 15 10.518 -58.822 5.858 1.00 0.00 C ATOM 255 CD1 TYR A 15 9.624 -59.607 6.573 1.00 0.00 C ATOM 256 CD2 TYR A 15 11.702 -58.481 6.490 1.00 0.00 C ATOM 257 CE1 TYR A 15 9.902 -60.021 7.861 1.00 0.00 C ATOM 258 CE2 TYR A 15 11.989 -58.893 7.776 1.00 0.00 C ATOM 259 CZ TYR A 15 11.082 -59.664 8.461 1.00 0.00 C ATOM 260 OH TYR A 15 11.334 -60.070 9.730 1.00 0.00 O ATOM 0 H TYR A 15 11.199 -60.399 3.582 1.00 0.00 H new ATOM 0 HA TYR A 15 8.465 -59.477 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.188 -58.064 3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 15 9.684 -57.360 4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.692 -59.900 6.113 1.00 0.00 H new ATOM 0 HD2 TYR A 15 12.422 -57.875 5.961 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.188 -60.628 8.397 1.00 0.00 H new ATOM 0 HE2 TYR A 15 12.922 -58.610 8.241 1.00 0.00 H new ATOM 0 HH TYR A 15 12.211 -59.737 10.012 1.00 0.00 H new ATOM 270 N ALA A 16 8.494 -59.432 1.278 1.00 0.00 N ATOM 271 CA ALA A 16 8.360 -59.205 -0.166 1.00 0.00 C ATOM 272 C ALA A 16 7.730 -57.858 -0.584 1.00 0.00 C ATOM 273 O ALA A 16 8.345 -57.094 -1.341 1.00 0.00 O ATOM 274 CB ALA A 16 7.578 -60.398 -0.756 1.00 0.00 C ATOM 0 H ALA A 16 8.016 -60.278 1.588 1.00 0.00 H new ATOM 0 HA ALA A 16 9.369 -59.137 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.461 -60.260 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.125 -61.321 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.595 -60.456 -0.288 1.00 0.00 H new ATOM 280 N MET A 17 6.531 -57.555 -0.071 1.00 0.00 N ATOM 281 CA MET A 17 5.843 -56.281 -0.304 1.00 0.00 C ATOM 282 C MET A 17 6.553 -55.080 0.355 1.00 0.00 C ATOM 283 O MET A 17 6.489 -53.957 -0.144 1.00 0.00 O ATOM 284 CB MET A 17 4.380 -56.379 0.208 1.00 0.00 C ATOM 285 CG MET A 17 3.489 -57.386 -0.563 1.00 0.00 C ATOM 286 SD MET A 17 3.161 -56.929 -2.287 1.00 0.00 S ATOM 287 CE MET A 17 1.630 -55.979 -2.107 1.00 0.00 C ATOM 0 H MET A 17 6.006 -58.196 0.524 1.00 0.00 H new ATOM 0 HA MET A 17 5.858 -56.101 -1.379 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.396 -56.661 1.261 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.922 -55.391 0.150 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.968 -58.365 -0.544 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.538 -57.486 -0.039 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.302 -55.629 -3.086 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.858 -56.613 -1.670 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.807 -55.123 -1.456 1.00 0.00 H new ATOM 297 N LEU A 18 7.289 -55.339 1.441 1.00 0.00 N ATOM 298 CA LEU A 18 7.946 -54.313 2.247 1.00 0.00 C ATOM 299 C LEU A 18 9.283 -53.884 1.624 1.00 0.00 C ATOM 300 O LEU A 18 9.559 -52.686 1.509 1.00 0.00 O ATOM 301 CB LEU A 18 8.106 -54.843 3.696 1.00 0.00 C ATOM 302 CG LEU A 18 6.816 -55.438 4.326 1.00 0.00 C ATOM 303 CD1 LEU A 18 7.087 -55.940 5.744 1.00 0.00 C ATOM 304 CD2 LEU A 18 5.658 -54.434 4.342 1.00 0.00 C ATOM 0 H LEU A 18 7.446 -56.285 1.788 1.00 0.00 H new ATOM 0 HA LEU A 18 7.330 -53.414 2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.882 -55.609 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.458 -54.027 4.328 1.00 0.00 H new ATOM 0 HG LEU A 18 6.518 -56.276 3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.170 -56.352 6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.854 -56.714 5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.431 -55.112 6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.780 -54.898 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.944 -53.558 4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.425 -54.131 3.321 1.00 0.00 H new ATOM 316 N LYS A 19 10.111 -54.839 1.174 1.00 0.00 N ATOM 317 CA LYS A 19 11.219 -54.511 0.278 1.00 0.00 C ATOM 318 C LYS A 19 10.726 -53.943 -1.072 1.00 0.00 C ATOM 319 O LYS A 19 11.433 -53.126 -1.658 1.00 0.00 O ATOM 320 CB LYS A 19 12.174 -55.728 0.089 1.00 0.00 C ATOM 321 CG LYS A 19 11.628 -56.941 -0.710 1.00 0.00 C ATOM 322 CD LYS A 19 11.977 -56.920 -2.220 1.00 0.00 C ATOM 323 CE LYS A 19 11.276 -58.012 -3.032 1.00 0.00 C ATOM 324 NZ LYS A 19 9.919 -57.570 -3.334 1.00 0.00 N ATOM 0 H LYS A 19 10.033 -55.827 1.413 1.00 0.00 H new ATOM 0 HA LYS A 19 11.796 -53.718 0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.077 -55.375 -0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.472 -56.080 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.022 -57.857 -0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.544 -56.975 -0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.710 -55.947 -2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.055 -57.030 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.824 -58.208 -3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.253 -58.946 -2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.331 -58.394 -3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.518 -57.088 -2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.939 -56.913 -4.140 1.00 0.00 H new ATOM 338 N LYS A 20 9.549 -54.330 -1.605 1.00 0.00 N ATOM 339 CA LYS A 20 8.952 -53.624 -2.745 1.00 0.00 C ATOM 340 C LYS A 20 8.589 -52.161 -2.379 1.00 0.00 C ATOM 341 O LYS A 20 8.798 -51.297 -3.233 1.00 0.00 O ATOM 342 CB LYS A 20 7.737 -54.430 -3.279 1.00 0.00 C ATOM 343 CG LYS A 20 7.248 -54.053 -4.701 1.00 0.00 C ATOM 344 CD LYS A 20 6.006 -53.131 -4.697 1.00 0.00 C ATOM 345 CE LYS A 20 5.510 -52.766 -6.101 1.00 0.00 C ATOM 346 NZ LYS A 20 6.456 -51.845 -6.725 1.00 0.00 N ATOM 0 H LYS A 20 9.002 -55.120 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 20 9.685 -53.556 -3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.997 -55.489 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.907 -54.302 -2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.058 -53.558 -5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.013 -54.965 -5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.200 -53.623 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.245 -52.216 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.407 -53.666 -6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.523 -52.307 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.058 -51.491 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.636 -51.045 -6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.349 -52.342 -6.917 1.00 0.00 H new ATOM 360 N CYS A 21 8.089 -51.822 -1.168 1.00 0.00 N ATOM 361 CA CYS A 21 8.035 -50.421 -0.704 1.00 0.00 C ATOM 362 C CYS A 21 9.400 -49.701 -0.659 1.00 0.00 C ATOM 363 O CYS A 21 9.461 -48.520 -1.015 1.00 0.00 O ATOM 364 CB CYS A 21 7.359 -50.290 0.669 1.00 0.00 C ATOM 365 SG CYS A 21 5.551 -50.348 0.646 1.00 0.00 S ATOM 0 H CYS A 21 7.719 -52.498 -0.499 1.00 0.00 H new ATOM 0 HA CYS A 21 7.434 -49.924 -1.466 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.724 -51.090 1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.671 -49.349 1.121 1.00 0.00 H new ATOM 370 N CYS A 22 10.487 -50.377 -0.235 1.00 0.00 N ATOM 371 CA CYS A 22 11.868 -49.907 -0.474 1.00 0.00 C ATOM 372 C CYS A 22 12.089 -49.539 -1.934 1.00 0.00 C ATOM 373 O CYS A 22 12.488 -48.422 -2.257 1.00 0.00 O ATOM 374 CB CYS A 22 12.926 -50.873 0.114 1.00 0.00 C ATOM 375 SG CYS A 22 14.339 -50.040 0.897 1.00 0.00 S ATOM 0 H CYS A 22 10.434 -51.257 0.278 1.00 0.00 H new ATOM 0 HA CYS A 22 12.008 -48.979 0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.445 -51.517 0.850 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.295 -51.519 -0.683 1.00 0.00 H new ATOM 380 N TYR A 23 11.754 -50.442 -2.829 1.00 0.00 N ATOM 381 CA TYR A 23 12.013 -50.215 -4.236 1.00 0.00 C ATOM 382 C TYR A 23 11.046 -49.200 -4.894 1.00 0.00 C ATOM 383 O TYR A 23 11.427 -48.546 -5.868 1.00 0.00 O ATOM 384 CB TYR A 23 12.157 -51.596 -4.843 1.00 0.00 C ATOM 385 CG TYR A 23 13.245 -52.458 -4.135 1.00 0.00 C ATOM 386 CD1 TYR A 23 14.183 -52.054 -3.147 1.00 0.00 C ATOM 387 CD2 TYR A 23 13.361 -53.744 -4.626 1.00 0.00 C ATOM 388 CE1 TYR A 23 15.201 -52.920 -2.776 1.00 0.00 C ATOM 389 CE2 TYR A 23 14.369 -54.596 -4.240 1.00 0.00 C ATOM 390 CZ TYR A 23 15.296 -54.181 -3.325 1.00 0.00 C ATOM 391 OH TYR A 23 16.312 -55.031 -3.007 1.00 0.00 O ATOM 0 H TYR A 23 11.306 -51.332 -2.612 1.00 0.00 H new ATOM 0 HA TYR A 23 12.940 -49.675 -4.427 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.199 -52.113 -4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.408 -51.499 -5.899 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.104 -51.080 -2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.631 -54.094 -5.341 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.930 -52.602 -2.046 1.00 0.00 H new ATOM 0 HE2 TYR A 23 14.428 -55.590 -4.658 1.00 0.00 H new ATOM 0 HH TYR A 23 17.115 -54.514 -2.788 1.00 0.00 H new ATOM 401 N ASP A 24 9.827 -49.008 -4.355 1.00 0.00 N ATOM 402 CA ASP A 24 8.998 -47.817 -4.617 1.00 0.00 C ATOM 403 C ASP A 24 9.655 -46.495 -4.162 1.00 0.00 C ATOM 404 O ASP A 24 9.460 -45.461 -4.805 1.00 0.00 O ATOM 405 CB ASP A 24 7.600 -47.923 -3.937 1.00 0.00 C ATOM 406 CG ASP A 24 6.758 -49.127 -4.356 1.00 0.00 C ATOM 407 OD1 ASP A 24 6.847 -49.597 -5.496 1.00 0.00 O ATOM 408 OD2 ASP A 24 5.985 -49.584 -3.522 1.00 0.00 O ATOM 0 H ASP A 24 9.388 -49.678 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 24 8.890 -47.793 -5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.742 -47.958 -2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.039 -47.015 -4.155 1.00 0.00 H new ATOM 413 N GLY A 25 10.371 -46.504 -3.025 1.00 0.00 N ATOM 414 CA GLY A 25 11.213 -45.381 -2.586 1.00 0.00 C ATOM 415 C GLY A 25 12.473 -45.157 -3.429 1.00 0.00 C ATOM 416 O GLY A 25 12.817 -44.009 -3.706 1.00 0.00 O ATOM 0 H GLY A 25 10.381 -47.296 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.616 -44.469 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.510 -45.550 -1.551 1.00 0.00 H new ATOM 420 N ALA A 26 13.172 -46.235 -3.810 1.00 0.00 N ATOM 421 CA ALA A 26 14.337 -46.172 -4.699 1.00 0.00 C ATOM 422 C ALA A 26 14.012 -45.691 -6.129 1.00 0.00 C ATOM 423 O ALA A 26 14.809 -44.942 -6.701 1.00 0.00 O ATOM 424 CB ALA A 26 15.033 -47.546 -4.732 1.00 0.00 C ATOM 0 H ALA A 26 12.942 -47.181 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 26 15.006 -45.418 -4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.899 -47.500 -5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.358 -47.814 -3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.336 -48.298 -5.100 1.00 0.00 H new ATOM 430 N TYR A 27 12.880 -46.080 -6.742 1.00 0.00 N ATOM 431 CA TYR A 27 12.442 -45.512 -8.027 1.00 0.00 C ATOM 432 C TYR A 27 11.903 -44.061 -7.916 1.00 0.00 C ATOM 433 O TYR A 27 10.716 -43.759 -8.100 1.00 0.00 O ATOM 434 CB TYR A 27 11.436 -46.472 -8.726 1.00 0.00 C ATOM 435 CG TYR A 27 12.166 -47.644 -9.400 1.00 0.00 C ATOM 436 CD1 TYR A 27 12.624 -47.551 -10.704 1.00 0.00 C ATOM 437 CD2 TYR A 27 12.396 -48.835 -8.734 1.00 0.00 C ATOM 438 CE1 TYR A 27 13.282 -48.601 -11.314 1.00 0.00 C ATOM 439 CE2 TYR A 27 13.053 -49.892 -9.334 1.00 0.00 C ATOM 440 CZ TYR A 27 13.496 -49.769 -10.629 1.00 0.00 C ATOM 441 OH TYR A 27 14.144 -50.792 -11.242 1.00 0.00 O ATOM 0 H TYR A 27 12.250 -46.789 -6.365 1.00 0.00 H new ATOM 0 HA TYR A 27 13.327 -45.426 -8.657 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.726 -46.855 -7.994 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.861 -45.922 -9.470 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.463 -46.637 -11.256 1.00 0.00 H new ATOM 0 HD2 TYR A 27 12.052 -48.941 -7.716 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.628 -48.502 -12.332 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.217 -50.809 -8.788 1.00 0.00 H new ATOM 0 HH TYR A 27 14.218 -51.549 -10.624 1.00 0.00 H new ATOM 451 N ARG A 28 12.839 -43.154 -7.603 1.00 0.00 N ATOM 452 CA ARG A 28 12.608 -41.711 -7.543 1.00 0.00 C ATOM 453 C ARG A 28 13.850 -40.903 -7.978 1.00 0.00 C ATOM 454 O ARG A 28 14.982 -41.162 -7.560 1.00 0.00 O ATOM 455 CB ARG A 28 12.195 -41.317 -6.098 1.00 0.00 C ATOM 456 CG ARG A 28 11.943 -39.798 -5.928 1.00 0.00 C ATOM 457 CD ARG A 28 11.493 -39.423 -4.519 1.00 0.00 C ATOM 458 NE ARG A 28 11.938 -38.051 -4.246 1.00 0.00 N ATOM 459 CZ ARG A 28 13.067 -37.740 -3.664 1.00 0.00 C ATOM 460 NH1 ARG A 28 14.076 -38.521 -3.611 1.00 0.00 N ATOM 461 NH2 ARG A 28 13.251 -36.582 -3.164 1.00 0.00 N ATOM 0 H ARG A 28 13.800 -43.414 -7.380 1.00 0.00 H new ATOM 0 HA ARG A 28 11.807 -41.470 -8.242 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.291 -41.862 -5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.977 -41.629 -5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.857 -39.254 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.185 -39.479 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.409 -39.495 -4.434 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.916 -40.112 -3.789 1.00 0.00 H new ATOM 0 HE ARG A 28 11.324 -37.287 -4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.028 -39.446 -4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.930 -38.220 -3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.511 -35.881 -3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.138 -36.356 -2.714 1.00 0.00 H new ATOM 475 N ASN A 29 13.615 -39.906 -8.838 1.00 0.00 N ATOM 476 CA ASN A 29 14.611 -38.887 -9.170 1.00 0.00 C ATOM 477 C ASN A 29 13.961 -37.493 -9.285 1.00 0.00 C ATOM 478 O ASN A 29 14.340 -36.558 -8.580 1.00 0.00 O ATOM 479 CB ASN A 29 15.345 -39.309 -10.477 1.00 0.00 C ATOM 480 CG ASN A 29 16.496 -38.362 -10.812 1.00 0.00 C ATOM 481 OD1 ASN A 29 16.400 -37.535 -11.707 1.00 0.00 O ATOM 482 ND2 ASN A 29 17.620 -38.430 -10.125 1.00 0.00 N ATOM 0 H ASN A 29 12.726 -39.785 -9.323 1.00 0.00 H new ATOM 0 HA ASN A 29 15.347 -38.813 -8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.729 -40.323 -10.367 1.00 0.00 H new ATOM 0 HB3 ASN A 29 14.635 -39.325 -11.304 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.391 -37.799 -10.344 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.718 -39.114 -9.375 1.00 0.00 H new ATOM 489 N ASP A 30 12.956 -37.390 -10.160 1.00 0.00 N ATOM 490 CA ASP A 30 12.249 -36.157 -10.518 1.00 0.00 C ATOM 491 C ASP A 30 11.433 -35.470 -9.397 1.00 0.00 C ATOM 492 O ASP A 30 11.629 -34.279 -9.149 1.00 0.00 O ATOM 493 CB ASP A 30 11.360 -36.477 -11.765 1.00 0.00 C ATOM 494 CG ASP A 30 10.429 -37.674 -11.547 1.00 0.00 C ATOM 495 OD1 ASP A 30 10.933 -38.796 -11.457 1.00 0.00 O ATOM 496 OD2 ASP A 30 9.226 -37.461 -11.438 1.00 0.00 O ATOM 0 H ASP A 30 12.597 -38.202 -10.661 1.00 0.00 H new ATOM 0 HA ASP A 30 13.012 -35.408 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.762 -35.600 -12.013 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.004 -36.676 -12.622 1.00 0.00 H new ATOM 501 N ASP A 31 10.523 -36.181 -8.716 1.00 0.00 N ATOM 502 CA ASP A 31 9.594 -35.590 -7.753 1.00 0.00 C ATOM 503 C ASP A 31 10.231 -35.315 -6.372 1.00 0.00 C ATOM 504 O ASP A 31 10.789 -36.196 -5.716 1.00 0.00 O ATOM 505 CB ASP A 31 8.289 -36.443 -7.677 1.00 0.00 C ATOM 506 CG ASP A 31 8.516 -37.918 -7.344 1.00 0.00 C ATOM 507 OD1 ASP A 31 9.181 -38.623 -8.106 1.00 0.00 O ATOM 508 OD2 ASP A 31 7.984 -38.390 -6.343 1.00 0.00 O ATOM 0 H ASP A 31 10.413 -37.190 -8.822 1.00 0.00 H new ATOM 0 HA ASP A 31 9.323 -34.599 -8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.630 -36.010 -6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.769 -36.375 -8.632 1.00 0.00 H new ATOM 513 N GLU A 32 10.088 -34.055 -5.945 1.00 0.00 N ATOM 514 CA GLU A 32 10.773 -33.479 -4.784 1.00 0.00 C ATOM 515 C GLU A 32 10.513 -34.197 -3.443 1.00 0.00 C ATOM 516 O GLU A 32 11.460 -34.647 -2.796 1.00 0.00 O ATOM 517 CB GLU A 32 10.369 -31.977 -4.654 1.00 0.00 C ATOM 518 CG GLU A 32 10.692 -31.058 -5.880 1.00 0.00 C ATOM 519 CD GLU A 32 12.189 -30.887 -6.147 1.00 0.00 C ATOM 520 OE1 GLU A 32 12.836 -30.130 -5.430 1.00 0.00 O ATOM 521 OE2 GLU A 32 12.699 -31.504 -7.083 1.00 0.00 O ATOM 0 H GLU A 32 9.474 -33.389 -6.413 1.00 0.00 H new ATOM 0 HA GLU A 32 11.839 -33.603 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.297 -31.927 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.868 -31.564 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.219 -31.475 -6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.248 -30.077 -5.713 1.00 0.00 H new ATOM 528 N THR A 33 9.250 -34.354 -3.032 1.00 0.00 N ATOM 529 CA THR A 33 8.894 -34.802 -1.680 1.00 0.00 C ATOM 530 C THR A 33 8.405 -36.264 -1.656 1.00 0.00 C ATOM 531 O THR A 33 7.335 -36.575 -2.189 1.00 0.00 O ATOM 532 CB THR A 33 7.802 -33.852 -1.101 1.00 0.00 C ATOM 533 OG1 THR A 33 8.217 -32.499 -1.174 1.00 0.00 O ATOM 534 CG2 THR A 33 7.522 -34.036 0.385 1.00 0.00 C ATOM 0 H THR A 33 8.443 -34.174 -3.629 1.00 0.00 H new ATOM 0 HA THR A 33 9.791 -34.763 -1.062 1.00 0.00 H new ATOM 0 HB THR A 33 6.924 -34.095 -1.700 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.516 -31.921 -0.807 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.750 -33.334 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.182 -35.055 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.434 -33.851 0.953 1.00 0.00 H new ATOM 542 N CYS A 34 9.175 -37.160 -1.011 1.00 0.00 N ATOM 543 CA CYS A 34 8.826 -38.578 -0.834 1.00 0.00 C ATOM 544 C CYS A 34 7.486 -38.803 -0.114 1.00 0.00 C ATOM 545 O CYS A 34 6.718 -39.694 -0.474 1.00 0.00 O ATOM 546 CB CYS A 34 9.913 -39.309 -0.004 1.00 0.00 C ATOM 547 SG CYS A 34 11.533 -39.466 -0.791 1.00 0.00 S ATOM 0 H CYS A 34 10.072 -36.913 -0.592 1.00 0.00 H new ATOM 0 HA CYS A 34 8.749 -38.975 -1.846 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.039 -38.780 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.549 -40.308 0.236 1.00 0.00 H new ATOM 552 N GLU A 35 7.212 -37.970 0.896 1.00 0.00 N ATOM 553 CA GLU A 35 6.012 -38.041 1.727 1.00 0.00 C ATOM 554 C GLU A 35 4.705 -37.709 0.979 1.00 0.00 C ATOM 555 O GLU A 35 3.640 -38.004 1.513 1.00 0.00 O ATOM 556 CB GLU A 35 6.168 -37.090 2.953 1.00 0.00 C ATOM 557 CG GLU A 35 7.326 -37.425 3.960 1.00 0.00 C ATOM 558 CD GLU A 35 8.762 -37.197 3.458 1.00 0.00 C ATOM 559 OE1 GLU A 35 8.986 -36.476 2.482 1.00 0.00 O ATOM 560 OE2 GLU A 35 9.671 -37.768 4.059 1.00 0.00 O ATOM 0 H GLU A 35 7.837 -37.209 1.162 1.00 0.00 H new ATOM 0 HA GLU A 35 5.924 -39.080 2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.322 -36.077 2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.228 -37.087 3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.180 -36.826 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.230 -38.470 4.255 1.00 0.00 H new ATOM 567 N GLU A 36 4.722 -37.109 -0.222 1.00 0.00 N ATOM 568 CA GLU A 36 3.517 -36.927 -1.042 1.00 0.00 C ATOM 569 C GLU A 36 3.114 -38.268 -1.694 1.00 0.00 C ATOM 570 O GLU A 36 2.019 -38.798 -1.450 1.00 0.00 O ATOM 571 CB GLU A 36 3.788 -35.779 -2.064 1.00 0.00 C ATOM 572 CG GLU A 36 2.570 -35.300 -2.935 1.00 0.00 C ATOM 573 CD GLU A 36 2.216 -36.201 -4.127 1.00 0.00 C ATOM 574 OE1 GLU A 36 3.109 -36.591 -4.876 1.00 0.00 O ATOM 575 OE2 GLU A 36 1.033 -36.497 -4.300 1.00 0.00 O ATOM 0 H GLU A 36 5.570 -36.738 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 36 2.661 -36.628 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.171 -34.919 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.580 -36.105 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.695 -35.218 -2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.785 -34.299 -3.309 1.00 0.00 H new ATOM 582 N ARG A 37 4.033 -38.835 -2.495 1.00 0.00 N ATOM 583 CA ARG A 37 3.864 -40.177 -3.045 1.00 0.00 C ATOM 584 C ARG A 37 3.720 -41.241 -1.936 1.00 0.00 C ATOM 585 O ARG A 37 2.865 -42.113 -2.080 1.00 0.00 O ATOM 586 CB ARG A 37 4.939 -40.538 -4.119 1.00 0.00 C ATOM 587 CG ARG A 37 6.422 -40.468 -3.672 1.00 0.00 C ATOM 588 CD ARG A 37 7.323 -41.507 -4.365 1.00 0.00 C ATOM 589 NE ARG A 37 7.841 -41.044 -5.652 1.00 0.00 N ATOM 590 CZ ARG A 37 8.500 -41.801 -6.495 1.00 0.00 C ATOM 591 NH1 ARG A 37 8.826 -43.026 -6.304 1.00 0.00 N ATOM 592 NH2 ARG A 37 8.939 -41.315 -7.587 1.00 0.00 N ATOM 0 H ARG A 37 4.901 -38.377 -2.772 1.00 0.00 H new ATOM 0 HA ARG A 37 2.918 -40.175 -3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.738 -41.549 -4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.808 -39.869 -4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.808 -39.470 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.475 -40.615 -2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.159 -41.750 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.758 -42.427 -4.516 1.00 0.00 H new ATOM 0 HE ARG A 37 7.679 -40.070 -5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.570 -43.492 -5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.341 -43.535 -7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.778 -40.332 -7.809 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.451 -41.908 -8.240 1.00 0.00 H new ATOM 606 N ALA A 38 4.458 -41.209 -0.815 1.00 0.00 N ATOM 607 CA ALA A 38 4.218 -42.111 0.316 1.00 0.00 C ATOM 608 C ALA A 38 3.181 -41.650 1.373 1.00 0.00 C ATOM 609 O ALA A 38 3.042 -42.284 2.419 1.00 0.00 O ATOM 610 CB ALA A 38 5.561 -42.582 0.877 1.00 0.00 C ATOM 0 H ALA A 38 5.232 -40.561 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 38 3.685 -42.975 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.389 -43.253 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.115 -43.109 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.138 -41.720 1.213 1.00 0.00 H new ATOM 616 N ALA A 39 2.453 -40.539 1.182 1.00 0.00 N ATOM 617 CA ALA A 39 1.073 -40.425 1.669 1.00 0.00 C ATOM 618 C ALA A 39 0.089 -41.256 0.822 1.00 0.00 C ATOM 619 O ALA A 39 -0.941 -41.703 1.335 1.00 0.00 O ATOM 620 CB ALA A 39 0.633 -38.948 1.695 1.00 0.00 C ATOM 0 H ALA A 39 2.797 -39.711 0.696 1.00 0.00 H new ATOM 0 HA ALA A 39 1.054 -40.825 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.392 -38.880 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.290 -38.384 2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.689 -38.534 0.688 1.00 0.00 H new ATOM 626 N ARG A 40 0.346 -41.418 -0.486 1.00 0.00 N ATOM 627 CA ARG A 40 -0.393 -42.387 -1.315 1.00 0.00 C ATOM 628 C ARG A 40 -0.011 -43.863 -1.020 1.00 0.00 C ATOM 629 O ARG A 40 -0.898 -44.716 -0.953 1.00 0.00 O ATOM 630 CB ARG A 40 -0.218 -42.050 -2.819 1.00 0.00 C ATOM 631 CG ARG A 40 -0.645 -40.604 -3.165 1.00 0.00 C ATOM 632 CD ARG A 40 -0.361 -40.243 -4.625 1.00 0.00 C ATOM 633 NE ARG A 40 -0.545 -38.798 -4.767 1.00 0.00 N ATOM 634 CZ ARG A 40 -1.625 -38.171 -5.131 1.00 0.00 C ATOM 635 NH1 ARG A 40 -2.737 -38.724 -5.439 1.00 0.00 N ATOM 636 NH2 ARG A 40 -1.534 -36.903 -5.170 1.00 0.00 N ATOM 0 H ARG A 40 1.058 -40.892 -0.992 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.446 -42.294 -1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.826 -42.192 -3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.806 -42.749 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.710 -40.485 -2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.119 -39.907 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.654 -40.529 -4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.035 -40.782 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 40 0.266 -38.216 -4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.827 -39.740 -5.410 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.534 -38.149 -5.714 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.655 -36.447 -4.925 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.340 -36.342 -5.447 1.00 0.00 H new ATOM 650 N ILE A 41 1.280 -44.217 -0.884 1.00 0.00 N ATOM 651 CA ILE A 41 1.746 -45.508 -0.355 1.00 0.00 C ATOM 652 C ILE A 41 1.482 -45.686 1.161 1.00 0.00 C ATOM 653 O ILE A 41 2.262 -45.430 2.080 1.00 0.00 O ATOM 654 CB ILE A 41 3.202 -45.872 -0.781 1.00 0.00 C ATOM 655 CG1 ILE A 41 3.361 -45.968 -2.318 1.00 0.00 C ATOM 656 CG2 ILE A 41 3.653 -47.198 -0.229 1.00 0.00 C ATOM 657 CD1 ILE A 41 4.125 -44.759 -2.785 1.00 0.00 C ATOM 0 H ILE A 41 2.046 -43.596 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 41 1.118 -46.254 -0.842 1.00 0.00 H new ATOM 0 HB ILE A 41 3.809 -45.061 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.891 -46.881 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.384 -46.011 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.673 -47.401 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.621 -47.169 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.992 -47.986 -0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.250 -44.803 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.575 -43.856 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.104 -44.740 -2.307 1.00 0.00 H new ATOM 669 N LYS A 42 0.261 -46.178 1.306 1.00 0.00 N ATOM 670 CA LYS A 42 -0.415 -46.478 2.574 1.00 0.00 C ATOM 671 C LYS A 42 -0.349 -47.951 3.041 1.00 0.00 C ATOM 672 O LYS A 42 -1.024 -48.303 4.011 1.00 0.00 O ATOM 673 CB LYS A 42 -1.902 -46.036 2.467 1.00 0.00 C ATOM 674 CG LYS A 42 -2.112 -44.520 2.618 1.00 0.00 C ATOM 675 CD LYS A 42 -3.615 -44.170 2.564 1.00 0.00 C ATOM 676 CE LYS A 42 -3.921 -42.686 2.797 1.00 0.00 C ATOM 677 NZ LYS A 42 -3.437 -41.902 1.667 1.00 0.00 N ATOM 0 H LYS A 42 -0.325 -46.394 0.499 1.00 0.00 H new ATOM 0 HA LYS A 42 0.131 -45.919 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.297 -46.354 1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.481 -46.552 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.688 -44.181 3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.582 -43.993 1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.011 -44.463 1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.142 -44.761 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.994 -42.541 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.446 -42.347 3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.935 -40.989 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.416 -41.736 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.615 -42.420 0.783 1.00 0.00 H new ATOM 691 N ILE A 43 0.460 -48.817 2.411 1.00 0.00 N ATOM 692 CA ILE A 43 0.397 -50.281 2.578 1.00 0.00 C ATOM 693 C ILE A 43 0.703 -50.769 4.017 1.00 0.00 C ATOM 694 O ILE A 43 0.048 -51.699 4.496 1.00 0.00 O ATOM 695 CB ILE A 43 1.282 -50.969 1.474 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.765 -50.595 0.048 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.309 -52.518 1.614 1.00 0.00 C ATOM 698 CD1 ILE A 43 1.740 -50.926 -1.106 1.00 0.00 C ATOM 0 H ILE A 43 1.187 -48.518 1.762 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.638 -50.591 2.432 1.00 0.00 H new ATOM 0 HB ILE A 43 2.298 -50.599 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.176 -51.116 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.547 -49.527 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.933 -52.944 0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.717 -52.788 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.296 -52.909 1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.294 -50.631 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.674 -50.384 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.940 -51.997 -1.117 1.00 0.00 H new ATOM 710 N GLY A 44 1.653 -50.157 4.740 1.00 0.00 N ATOM 711 CA GLY A 44 1.881 -50.464 6.160 1.00 0.00 C ATOM 712 C GLY A 44 2.976 -49.621 6.852 1.00 0.00 C ATOM 713 O GLY A 44 3.775 -49.009 6.137 1.00 0.00 O ATOM 0 H GLY A 44 2.278 -49.444 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.944 -50.325 6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.147 -51.517 6.249 1.00 0.00 H new ATOM 717 N PRO A 45 3.076 -49.552 8.206 1.00 0.00 N ATOM 718 CA PRO A 45 4.160 -48.863 8.943 1.00 0.00 C ATOM 719 C PRO A 45 5.597 -49.279 8.563 1.00 0.00 C ATOM 720 O PRO A 45 6.466 -48.436 8.321 1.00 0.00 O ATOM 721 CB PRO A 45 3.865 -49.208 10.415 1.00 0.00 C ATOM 722 CG PRO A 45 2.356 -49.288 10.428 1.00 0.00 C ATOM 723 CD PRO A 45 2.058 -50.052 9.141 1.00 0.00 C ATOM 0 HA PRO A 45 4.152 -47.799 8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.325 -50.150 10.712 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.238 -48.442 11.095 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.984 -49.813 11.308 1.00 0.00 H new ATOM 0 HG3 PRO A 45 1.897 -48.300 10.429 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.139 -51.129 9.285 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.049 -49.854 8.780 1.00 0.00 H new ATOM 731 N LYS A 46 5.824 -50.597 8.484 1.00 0.00 N ATOM 732 CA LYS A 46 7.105 -51.190 8.090 1.00 0.00 C ATOM 733 C LYS A 46 7.440 -50.933 6.601 1.00 0.00 C ATOM 734 O LYS A 46 8.609 -50.772 6.234 1.00 0.00 O ATOM 735 CB LYS A 46 7.034 -52.692 8.467 1.00 0.00 C ATOM 736 CG LYS A 46 8.405 -53.359 8.720 1.00 0.00 C ATOM 737 CD LYS A 46 8.196 -54.733 9.401 1.00 0.00 C ATOM 738 CE LYS A 46 9.474 -55.481 9.794 1.00 0.00 C ATOM 739 NZ LYS A 46 10.181 -55.935 8.602 1.00 0.00 N ATOM 0 H LYS A 46 5.108 -51.292 8.696 1.00 0.00 H new ATOM 0 HA LYS A 46 7.934 -50.721 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.422 -52.799 9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.525 -53.230 7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.938 -53.486 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.021 -52.719 9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.593 -54.586 10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.618 -55.367 8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.120 -54.828 10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.225 -56.334 10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.561 -56.889 8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.524 -55.958 7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.963 -55.282 8.393 1.00 0.00 H new ATOM 753 N CYS A 47 6.386 -50.818 5.773 1.00 0.00 N ATOM 754 CA CYS A 47 6.474 -50.403 4.372 1.00 0.00 C ATOM 755 C CYS A 47 6.953 -48.943 4.256 1.00 0.00 C ATOM 756 O CYS A 47 7.943 -48.709 3.557 1.00 0.00 O ATOM 757 CB CYS A 47 5.093 -50.584 3.669 1.00 0.00 C ATOM 758 SG CYS A 47 5.107 -51.595 2.166 1.00 0.00 S ATOM 0 H CYS A 47 5.431 -51.017 6.071 1.00 0.00 H new ATOM 0 HA CYS A 47 7.208 -51.037 3.873 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.399 -51.032 4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.701 -49.598 3.419 1.00 0.00 H new ATOM 763 N VAL A 48 6.295 -47.951 4.897 1.00 0.00 N ATOM 764 CA VAL A 48 6.847 -46.588 5.003 1.00 0.00 C ATOM 765 C VAL A 48 8.268 -46.488 5.597 1.00 0.00 C ATOM 766 O VAL A 48 9.026 -45.627 5.155 1.00 0.00 O ATOM 767 CB VAL A 48 5.914 -45.497 5.638 1.00 0.00 C ATOM 768 CG1 VAL A 48 5.373 -44.550 4.565 1.00 0.00 C ATOM 769 CG2 VAL A 48 4.706 -46.032 6.397 1.00 0.00 C ATOM 0 H VAL A 48 5.387 -48.071 5.345 1.00 0.00 H new ATOM 0 HA VAL A 48 6.918 -46.345 3.943 1.00 0.00 H new ATOM 0 HB VAL A 48 6.564 -44.994 6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.729 -43.803 5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.205 -44.052 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.799 -45.119 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.128 -45.198 6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.081 -46.616 5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.043 -46.665 7.218 1.00 0.00 H new ATOM 779 N LYS A 49 8.660 -47.312 6.583 1.00 0.00 N ATOM 780 CA LYS A 49 10.060 -47.392 7.048 1.00 0.00 C ATOM 781 C LYS A 49 11.089 -47.833 5.974 1.00 0.00 C ATOM 782 O LYS A 49 12.112 -47.153 5.790 1.00 0.00 O ATOM 783 CB LYS A 49 10.156 -48.282 8.314 1.00 0.00 C ATOM 784 CG LYS A 49 9.520 -47.617 9.560 1.00 0.00 C ATOM 785 CD LYS A 49 9.884 -48.303 10.899 1.00 0.00 C ATOM 786 CE LYS A 49 9.307 -49.708 11.060 1.00 0.00 C ATOM 787 NZ LYS A 49 9.683 -50.194 12.379 1.00 0.00 N ATOM 0 H LYS A 49 8.024 -47.937 7.078 1.00 0.00 H new ATOM 0 HA LYS A 49 10.343 -46.368 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.661 -49.234 8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.203 -48.503 8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.834 -46.574 9.602 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.436 -47.619 9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.969 -48.356 10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.530 -47.681 11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.222 -49.690 10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.692 -50.370 10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.303 -51.152 12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.720 -50.218 12.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.296 -49.559 13.106 1.00 0.00 H new ATOM 801 N ALA A 50 10.831 -48.959 5.277 1.00 0.00 N ATOM 802 CA ALA A 50 11.569 -49.379 4.071 1.00 0.00 C ATOM 803 C ALA A 50 11.612 -48.245 3.019 1.00 0.00 C ATOM 804 O ALA A 50 12.693 -47.844 2.580 1.00 0.00 O ATOM 805 CB ALA A 50 10.846 -50.623 3.512 1.00 0.00 C ATOM 0 H ALA A 50 10.092 -49.611 5.542 1.00 0.00 H new ATOM 0 HA ALA A 50 12.605 -49.612 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.359 -50.970 2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.851 -51.414 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.817 -50.365 3.264 1.00 0.00 H new ATOM 811 N PHE A 51 10.430 -47.675 2.713 1.00 0.00 N ATOM 812 CA PHE A 51 10.257 -46.536 1.805 1.00 0.00 C ATOM 813 C PHE A 51 11.131 -45.333 2.200 1.00 0.00 C ATOM 814 O PHE A 51 11.879 -44.837 1.359 1.00 0.00 O ATOM 815 CB PHE A 51 8.754 -46.119 1.849 1.00 0.00 C ATOM 816 CG PHE A 51 8.281 -45.348 0.613 1.00 0.00 C ATOM 817 CD1 PHE A 51 8.770 -44.093 0.280 1.00 0.00 C ATOM 818 CD2 PHE A 51 7.485 -45.980 -0.319 1.00 0.00 C ATOM 819 CE1 PHE A 51 8.520 -43.524 -0.952 1.00 0.00 C ATOM 820 CE2 PHE A 51 7.230 -45.424 -1.533 1.00 0.00 C ATOM 821 CZ PHE A 51 7.753 -44.202 -1.869 1.00 0.00 C ATOM 0 H PHE A 51 9.548 -48.007 3.104 1.00 0.00 H new ATOM 0 HA PHE A 51 10.564 -46.838 0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.143 -47.015 1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.584 -45.505 2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.360 -43.549 1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.054 -46.940 -0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.924 -42.552 -1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.608 -45.951 -2.241 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.564 -43.777 -2.844 1.00 0.00 H new ATOM 831 N LYS A 52 11.046 -44.866 3.457 1.00 0.00 N ATOM 832 CA LYS A 52 11.792 -43.707 3.942 1.00 0.00 C ATOM 833 C LYS A 52 13.325 -43.899 3.907 1.00 0.00 C ATOM 834 O LYS A 52 14.037 -42.966 3.512 1.00 0.00 O ATOM 835 CB LYS A 52 11.283 -43.334 5.364 1.00 0.00 C ATOM 836 CG LYS A 52 11.850 -42.038 6.001 1.00 0.00 C ATOM 837 CD LYS A 52 11.562 -40.762 5.181 1.00 0.00 C ATOM 838 CE LYS A 52 12.035 -39.512 5.913 1.00 0.00 C ATOM 839 NZ LYS A 52 11.974 -38.405 4.969 1.00 0.00 N ATOM 0 H LYS A 52 10.450 -45.291 4.167 1.00 0.00 H new ATOM 0 HA LYS A 52 11.604 -42.879 3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.198 -43.243 5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.507 -44.165 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.428 -41.920 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.928 -42.145 6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.060 -40.829 4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.492 -40.688 4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.404 -39.313 6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.052 -39.645 6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.431 -37.569 5.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.467 -38.669 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.980 -38.186 4.755 1.00 0.00 H new ATOM 853 N ASP A 53 13.875 -45.073 4.270 1.00 0.00 N ATOM 854 CA ASP A 53 15.326 -45.267 4.134 1.00 0.00 C ATOM 855 C ASP A 53 15.826 -45.448 2.682 1.00 0.00 C ATOM 856 O ASP A 53 16.894 -44.925 2.323 1.00 0.00 O ATOM 857 CB ASP A 53 15.828 -46.323 5.138 1.00 0.00 C ATOM 858 CG ASP A 53 15.877 -45.707 6.533 1.00 0.00 C ATOM 859 OD1 ASP A 53 14.855 -45.703 7.222 1.00 0.00 O ATOM 860 OD2 ASP A 53 16.937 -45.226 6.920 1.00 0.00 O ATOM 0 H ASP A 53 13.360 -45.870 4.644 1.00 0.00 H new ATOM 0 HA ASP A 53 15.801 -44.325 4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.167 -47.190 5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.818 -46.676 4.848 1.00 0.00 H new ATOM 865 N CYS A 54 15.077 -46.148 1.819 1.00 0.00 N ATOM 866 CA CYS A 54 15.314 -46.078 0.374 1.00 0.00 C ATOM 867 C CYS A 54 15.085 -44.672 -0.245 1.00 0.00 C ATOM 868 O CYS A 54 15.757 -44.345 -1.224 1.00 0.00 O ATOM 869 CB CYS A 54 14.513 -47.171 -0.344 1.00 0.00 C ATOM 870 SG CYS A 54 15.277 -48.820 -0.419 1.00 0.00 S ATOM 0 H CYS A 54 14.310 -46.762 2.094 1.00 0.00 H new ATOM 0 HA CYS A 54 16.377 -46.263 0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.546 -47.265 0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.319 -46.838 -1.364 1.00 0.00 H new ATOM 875 N CYS A 55 14.172 -43.828 0.274 1.00 0.00 N ATOM 876 CA CYS A 55 14.112 -42.382 -0.013 1.00 0.00 C ATOM 877 C CYS A 55 15.415 -41.636 0.347 1.00 0.00 C ATOM 878 O CYS A 55 15.848 -40.777 -0.431 1.00 0.00 O ATOM 879 CB CYS A 55 12.891 -41.761 0.723 1.00 0.00 C ATOM 880 SG CYS A 55 12.748 -39.951 0.744 1.00 0.00 S ATOM 0 H CYS A 55 13.443 -44.138 0.916 1.00 0.00 H new ATOM 0 HA CYS A 55 13.993 -42.265 -1.090 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.986 -42.164 0.269 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.911 -42.108 1.756 1.00 0.00 H new ATOM 885 N TYR A 56 16.046 -41.915 1.503 1.00 0.00 N ATOM 886 CA TYR A 56 17.409 -41.436 1.781 1.00 0.00 C ATOM 887 C TYR A 56 18.432 -41.880 0.714 1.00 0.00 C ATOM 888 O TYR A 56 19.234 -41.047 0.283 1.00 0.00 O ATOM 889 CB TYR A 56 17.909 -41.864 3.190 1.00 0.00 C ATOM 890 CG TYR A 56 17.132 -41.252 4.371 1.00 0.00 C ATOM 891 CD1 TYR A 56 16.676 -39.941 4.393 1.00 0.00 C ATOM 892 CD2 TYR A 56 16.911 -42.006 5.512 1.00 0.00 C ATOM 893 CE1 TYR A 56 16.035 -39.418 5.499 1.00 0.00 C ATOM 894 CE2 TYR A 56 16.269 -41.495 6.621 1.00 0.00 C ATOM 895 CZ TYR A 56 15.832 -40.195 6.611 1.00 0.00 C ATOM 896 OH TYR A 56 15.201 -39.666 7.689 1.00 0.00 O ATOM 0 H TYR A 56 15.634 -42.467 2.255 1.00 0.00 H new ATOM 0 HA TYR A 56 17.338 -40.349 1.749 1.00 0.00 H new ATOM 0 HB2 TYR A 56 17.855 -42.950 3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.960 -41.590 3.285 1.00 0.00 H new ATOM 0 HD1 TYR A 56 16.826 -39.316 3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.253 -43.030 5.534 1.00 0.00 H new ATOM 0 HE1 TYR A 56 15.692 -38.394 5.488 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.112 -42.115 7.491 1.00 0.00 H new ATOM 0 HH TYR A 56 15.134 -40.344 8.394 1.00 0.00 H new ATOM 906 N ILE A 57 18.416 -43.150 0.269 1.00 0.00 N ATOM 907 CA ILE A 57 19.229 -43.595 -0.888 1.00 0.00 C ATOM 908 C ILE A 57 18.901 -42.861 -2.203 1.00 0.00 C ATOM 909 O ILE A 57 19.814 -42.440 -2.920 1.00 0.00 O ATOM 910 CB ILE A 57 19.148 -45.152 -1.078 1.00 0.00 C ATOM 911 CG1 ILE A 57 19.553 -45.946 0.187 1.00 0.00 C ATOM 912 CG2 ILE A 57 19.943 -45.703 -2.294 1.00 0.00 C ATOM 913 CD1 ILE A 57 20.870 -45.490 0.844 1.00 0.00 C ATOM 0 H ILE A 57 17.851 -43.888 0.689 1.00 0.00 H new ATOM 0 HA ILE A 57 20.256 -43.323 -0.643 1.00 0.00 H new ATOM 0 HB ILE A 57 18.088 -45.311 -1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.751 -45.866 0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.641 -47.000 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 57 19.828 -46.786 -2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.561 -45.255 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 57 20.998 -45.455 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.070 -46.104 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.688 -45.597 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.784 -44.446 1.144 1.00 0.00 H new ATOM 925 N ALA A 58 17.609 -42.707 -2.509 1.00 0.00 N ATOM 926 CA ALA A 58 17.129 -41.931 -3.663 1.00 0.00 C ATOM 927 C ALA A 58 17.616 -40.464 -3.670 1.00 0.00 C ATOM 928 O ALA A 58 18.070 -39.973 -4.706 1.00 0.00 O ATOM 929 CB ALA A 58 15.597 -41.985 -3.729 1.00 0.00 C ATOM 0 H ALA A 58 16.857 -43.121 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 58 17.559 -42.396 -4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.249 -41.408 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.274 -43.021 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.178 -41.565 -2.815 1.00 0.00 H new ATOM 935 N ASN A 59 17.543 -39.757 -2.529 1.00 0.00 N ATOM 936 CA ASN A 59 18.141 -38.423 -2.383 1.00 0.00 C ATOM 937 C ASN A 59 19.681 -38.423 -2.464 1.00 0.00 C ATOM 938 O ASN A 59 20.249 -37.508 -3.065 1.00 0.00 O ATOM 939 CB ASN A 59 17.651 -37.731 -1.087 1.00 0.00 C ATOM 940 CG ASN A 59 16.156 -37.435 -1.185 1.00 0.00 C ATOM 941 OD1 ASN A 59 15.706 -36.592 -1.954 1.00 0.00 O ATOM 942 ND2 ASN A 59 15.311 -38.137 -0.462 1.00 0.00 N ATOM 0 H ASN A 59 17.071 -40.093 -1.689 1.00 0.00 H new ATOM 0 HA ASN A 59 17.796 -37.845 -3.241 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.848 -38.371 -0.227 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.204 -36.805 -0.928 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.308 -37.974 -0.549 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.659 -38.844 0.185 1.00 0.00 H new ATOM 949 N GLN A 60 20.360 -39.429 -1.886 1.00 0.00 N ATOM 950 CA GLN A 60 21.809 -39.615 -2.019 1.00 0.00 C ATOM 951 C GLN A 60 22.258 -39.813 -3.483 1.00 0.00 C ATOM 952 O GLN A 60 23.204 -39.141 -3.902 1.00 0.00 O ATOM 953 CB GLN A 60 22.232 -40.814 -1.136 1.00 0.00 C ATOM 954 CG GLN A 60 23.765 -41.013 -0.992 1.00 0.00 C ATOM 955 CD GLN A 60 24.075 -42.276 -0.188 1.00 0.00 C ATOM 956 OE1 GLN A 60 24.387 -42.231 0.994 1.00 0.00 O ATOM 957 NE2 GLN A 60 24.007 -43.453 -0.780 1.00 0.00 N ATOM 0 H GLN A 60 19.911 -40.140 -1.309 1.00 0.00 H new ATOM 0 HA GLN A 60 22.306 -38.705 -1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.803 -40.684 -0.143 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.800 -41.724 -1.553 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.221 -41.084 -1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.204 -40.146 -0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.749 -43.514 -1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 60 24.213 -44.302 -0.253 1.00 0.00 H new ATOM 966 N VAL A 61 21.627 -40.696 -4.280 1.00 0.00 N ATOM 967 CA VAL A 61 21.957 -40.837 -5.710 1.00 0.00 C ATOM 968 C VAL A 61 21.520 -39.640 -6.584 1.00 0.00 C ATOM 969 O VAL A 61 22.150 -39.398 -7.614 1.00 0.00 O ATOM 970 CB VAL A 61 21.521 -42.202 -6.332 1.00 0.00 C ATOM 971 CG1 VAL A 61 22.201 -43.390 -5.622 1.00 0.00 C ATOM 972 CG2 VAL A 61 20.003 -42.439 -6.367 1.00 0.00 C ATOM 0 H VAL A 61 20.888 -41.321 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 61 23.047 -40.832 -5.718 1.00 0.00 H new ATOM 0 HB VAL A 61 21.853 -42.139 -7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 61 21.875 -44.323 -6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 61 23.283 -43.299 -5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.927 -43.389 -4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.797 -43.411 -6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.608 -42.416 -5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 61 19.526 -41.658 -6.959 1.00 0.00 H new ATOM 982 N ARG A 62 20.457 -38.893 -6.231 1.00 0.00 N ATOM 983 CA ARG A 62 20.167 -37.585 -6.837 1.00 0.00 C ATOM 984 C ARG A 62 21.237 -36.516 -6.513 1.00 0.00 C ATOM 985 O ARG A 62 21.607 -35.746 -7.402 1.00 0.00 O ATOM 986 CB ARG A 62 18.730 -37.146 -6.436 1.00 0.00 C ATOM 987 CG ARG A 62 18.302 -35.745 -6.945 1.00 0.00 C ATOM 988 CD ARG A 62 16.807 -35.485 -6.749 1.00 0.00 C ATOM 989 NE ARG A 62 16.564 -34.055 -6.927 1.00 0.00 N ATOM 990 CZ ARG A 62 15.401 -33.510 -7.147 1.00 0.00 C ATOM 991 NH1 ARG A 62 14.367 -34.113 -7.604 1.00 0.00 N ATOM 992 NH2 ARG A 62 15.283 -32.258 -6.965 1.00 0.00 N ATOM 0 H ARG A 62 19.781 -39.179 -5.523 1.00 0.00 H new ATOM 0 HA ARG A 62 20.210 -37.688 -7.921 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.023 -37.884 -6.814 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.653 -37.159 -5.349 1.00 0.00 H new ATOM 0 HG2 ARG A 62 18.873 -34.980 -6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.548 -35.655 -8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.224 -36.062 -7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.493 -35.803 -5.755 1.00 0.00 H new ATOM 0 HE ARG A 62 17.371 -33.433 -6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.414 -35.107 -7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.497 -33.599 -7.743 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.086 -31.710 -6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.386 -31.801 -7.129 1.00 0.00 H new ATOM 1006 N ALA A 63 21.737 -36.432 -5.268 1.00 0.00 N ATOM 1007 CA ALA A 63 22.873 -35.568 -4.925 1.00 0.00 C ATOM 1008 C ALA A 63 24.221 -36.050 -5.507 1.00 0.00 C ATOM 1009 O ALA A 63 24.981 -35.231 -6.034 1.00 0.00 O ATOM 1010 CB ALA A 63 22.953 -35.435 -3.390 1.00 0.00 C ATOM 0 H ALA A 63 21.366 -36.959 -4.478 1.00 0.00 H new ATOM 0 HA ALA A 63 22.694 -34.596 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 63 23.794 -34.795 -3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 63 22.029 -34.995 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.093 -36.421 -2.946 1.00 0.00 H new ATOM 1016 N GLU A 64 24.539 -37.354 -5.384 1.00 0.00 N ATOM 1017 CA GLU A 64 25.719 -38.033 -5.950 1.00 0.00 C ATOM 1018 C GLU A 64 27.081 -37.550 -5.401 1.00 0.00 C ATOM 1019 O GLU A 64 27.880 -38.355 -4.923 1.00 0.00 O ATOM 1020 CB GLU A 64 25.654 -38.021 -7.507 1.00 0.00 C ATOM 1021 CG GLU A 64 26.732 -38.914 -8.197 1.00 0.00 C ATOM 1022 CD GLU A 64 26.637 -38.868 -9.722 1.00 0.00 C ATOM 1023 OE1 GLU A 64 27.216 -37.962 -10.315 1.00 0.00 O ATOM 1024 OE2 GLU A 64 26.006 -39.754 -10.294 1.00 0.00 O ATOM 0 H GLU A 64 23.946 -37.996 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 64 25.667 -39.066 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 64 24.665 -38.356 -7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 64 25.769 -36.995 -7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 64 27.724 -38.586 -7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 64 26.617 -39.944 -7.859 1.00 0.00 H new