USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=11 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 59 ASN : amide:sc= -0.366 K(o=0.7,f=-0.32) USER MOD Set 1.2: A 60 GLN : amide:sc= 1.06 K(o=0.7,f=-0.32) USER MOD Set 2.1: A 13 TYR OH : rot -34:sc= 1.52 USER MOD Set 2.2: A 23 TYR OH : rot -30:sc= 0.988 USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= 2.19 (180deg=2.05) 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+ -159:sc= 0.165 (180deg=0.0514) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.93 K(o=0.93,f=-0.023) USER MOD Single : A 33 THR OG1 : rot 0:sc= 0.505 USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= 1.13 (180deg=1.06) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 0.989 (180deg=0.661) USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 0.529 (180deg=0.523) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 15.878 -49.943 9.530 1.00 0.00 N ATOM 101 CA ILE A 6 16.252 -50.519 8.213 1.00 0.00 C ATOM 102 C ILE A 6 16.865 -51.904 8.455 1.00 0.00 C ATOM 103 O ILE A 6 16.417 -52.899 7.888 1.00 0.00 O ATOM 104 CB ILE A 6 17.344 -49.770 7.365 1.00 0.00 C ATOM 105 CG1 ILE A 6 17.259 -48.244 7.381 1.00 0.00 C ATOM 106 CG2 ILE A 6 17.331 -50.292 5.878 1.00 0.00 C ATOM 107 CD1 ILE A 6 18.655 -47.638 7.235 1.00 0.00 C ATOM 0 HA ILE A 6 15.318 -50.476 7.653 1.00 0.00 H new ATOM 0 HB ILE A 6 18.288 -50.008 7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 6 16.618 -47.899 6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 6 16.804 -47.907 8.312 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.091 -49.766 5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 6 17.542 -51.361 5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 6 16.351 -50.110 5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 6 18.583 -46.550 7.248 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.284 -47.969 8.061 1.00 0.00 H new ATOM 0 HD13 ILE A 6 19.095 -47.961 6.292 1.00 0.00 H new ATOM 119 N GLU A 7 17.877 -51.921 9.341 1.00 0.00 N ATOM 120 CA GLU A 7 18.599 -53.134 9.707 1.00 0.00 C ATOM 121 C GLU A 7 17.684 -54.211 10.308 1.00 0.00 C ATOM 122 O GLU A 7 17.818 -55.348 9.883 1.00 0.00 O ATOM 123 CB GLU A 7 19.775 -52.758 10.636 1.00 0.00 C ATOM 124 CG GLU A 7 20.898 -51.999 9.847 1.00 0.00 C ATOM 125 CD GLU A 7 21.696 -50.976 10.666 1.00 0.00 C ATOM 126 OE1 GLU A 7 21.840 -51.115 11.880 1.00 0.00 O ATOM 127 OE2 GLU A 7 22.174 -50.022 10.052 1.00 0.00 O ATOM 0 H GLU A 7 18.212 -51.085 9.821 1.00 0.00 H new ATOM 0 HA GLU A 7 19.001 -53.590 8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.413 -52.132 11.451 1.00 0.00 H new ATOM 0 HB3 GLU A 7 20.189 -53.660 11.087 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.592 -52.733 9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.441 -51.486 9.001 1.00 0.00 H new ATOM 134 N GLU A 8 16.745 -53.942 11.225 1.00 0.00 N ATOM 135 CA GLU A 8 15.789 -54.956 11.695 1.00 0.00 C ATOM 136 C GLU A 8 14.693 -55.378 10.692 1.00 0.00 C ATOM 137 O GLU A 8 14.286 -56.541 10.766 1.00 0.00 O ATOM 138 CB GLU A 8 15.164 -54.511 13.037 1.00 0.00 C ATOM 139 CG GLU A 8 16.197 -54.577 14.209 1.00 0.00 C ATOM 140 CD GLU A 8 15.704 -54.001 15.543 1.00 0.00 C ATOM 141 OE1 GLU A 8 14.499 -53.832 15.761 1.00 0.00 O ATOM 142 OE2 GLU A 8 16.557 -53.705 16.380 1.00 0.00 O ATOM 0 H GLU A 8 16.626 -53.026 11.658 1.00 0.00 H new ATOM 0 HA GLU A 8 16.384 -55.860 11.824 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.786 -53.493 12.942 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.310 -55.147 13.269 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.482 -55.618 14.363 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.098 -54.041 13.910 1.00 0.00 H new ATOM 149 N GLU A 9 14.144 -54.547 9.787 1.00 0.00 N ATOM 150 CA GLU A 9 13.219 -55.018 8.737 1.00 0.00 C ATOM 151 C GLU A 9 13.943 -55.708 7.569 1.00 0.00 C ATOM 152 O GLU A 9 13.644 -56.866 7.260 1.00 0.00 O ATOM 153 CB GLU A 9 12.273 -53.866 8.298 1.00 0.00 C ATOM 154 CG GLU A 9 10.925 -53.831 9.103 1.00 0.00 C ATOM 155 CD GLU A 9 11.079 -53.681 10.621 1.00 0.00 C ATOM 156 OE1 GLU A 9 11.168 -52.551 11.103 1.00 0.00 O ATOM 157 OE2 GLU A 9 11.069 -54.698 11.322 1.00 0.00 O ATOM 0 H GLU A 9 14.325 -53.544 9.761 1.00 0.00 H new ATOM 0 HA GLU A 9 12.592 -55.802 9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.788 -52.914 8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.052 -53.971 7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.319 -53.005 8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.373 -54.748 8.898 1.00 0.00 H new ATOM 164 N ALA A 10 14.883 -55.022 6.915 1.00 0.00 N ATOM 165 CA ALA A 10 15.769 -55.638 5.921 1.00 0.00 C ATOM 166 C ALA A 10 16.842 -56.636 6.445 1.00 0.00 C ATOM 167 O ALA A 10 17.662 -57.075 5.637 1.00 0.00 O ATOM 168 CB ALA A 10 16.372 -54.498 5.074 1.00 0.00 C ATOM 0 H ALA A 10 15.052 -54.026 7.058 1.00 0.00 H new ATOM 0 HA ALA A 10 15.153 -56.307 5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.039 -54.918 4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.570 -53.947 4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.933 -53.823 5.720 1.00 0.00 H new ATOM 174 N ALA A 11 16.964 -57.011 7.731 1.00 0.00 N ATOM 175 CA ALA A 11 17.570 -58.301 8.111 1.00 0.00 C ATOM 176 C ALA A 11 16.632 -59.510 7.965 1.00 0.00 C ATOM 177 O ALA A 11 17.066 -60.561 7.492 1.00 0.00 O ATOM 178 CB ALA A 11 18.112 -58.279 9.555 1.00 0.00 C ATOM 0 H ALA A 11 16.654 -56.444 8.520 1.00 0.00 H new ATOM 0 HA ALA A 11 18.386 -58.426 7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.550 -59.248 9.794 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.874 -57.505 9.646 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.296 -58.069 10.247 1.00 0.00 H new ATOM 184 N LYS A 12 15.357 -59.364 8.366 1.00 0.00 N ATOM 185 CA LYS A 12 14.428 -60.487 8.524 1.00 0.00 C ATOM 186 C LYS A 12 14.108 -61.244 7.225 1.00 0.00 C ATOM 187 O LYS A 12 14.069 -62.476 7.257 1.00 0.00 O ATOM 188 CB LYS A 12 13.123 -60.034 9.230 1.00 0.00 C ATOM 189 CG LYS A 12 13.336 -59.723 10.732 1.00 0.00 C ATOM 190 CD LYS A 12 12.017 -59.503 11.518 1.00 0.00 C ATOM 191 CE LYS A 12 11.243 -58.210 11.209 1.00 0.00 C ATOM 192 NZ LYS A 12 11.980 -57.078 11.759 1.00 0.00 N ATOM 0 H LYS A 12 14.944 -58.458 8.589 1.00 0.00 H new ATOM 0 HA LYS A 12 14.955 -61.203 9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.733 -59.147 8.731 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.369 -60.815 9.128 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.888 -60.544 11.189 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.956 -58.832 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.359 -60.350 11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.248 -59.516 12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.119 -58.092 10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.244 -58.256 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.357 -56.246 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.312 -57.312 12.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.797 -56.868 11.151 1.00 0.00 H new ATOM 206 N TYR A 13 13.825 -60.545 6.111 1.00 0.00 N ATOM 207 CA TYR A 13 13.640 -61.106 4.758 1.00 0.00 C ATOM 208 C TYR A 13 12.467 -62.098 4.561 1.00 0.00 C ATOM 209 O TYR A 13 11.924 -62.185 3.460 1.00 0.00 O ATOM 210 CB TYR A 13 14.998 -61.630 4.180 1.00 0.00 C ATOM 211 CG TYR A 13 15.739 -60.565 3.343 1.00 0.00 C ATOM 212 CD1 TYR A 13 15.963 -59.263 3.779 1.00 0.00 C ATOM 213 CD2 TYR A 13 16.195 -60.878 2.072 1.00 0.00 C ATOM 214 CE1 TYR A 13 16.595 -58.332 2.978 1.00 0.00 C ATOM 215 CE2 TYR A 13 16.827 -59.948 1.267 1.00 0.00 C ATOM 216 CZ TYR A 13 17.017 -58.668 1.719 1.00 0.00 C ATOM 217 OH TYR A 13 17.559 -57.732 0.898 1.00 0.00 O ATOM 0 H TYR A 13 13.714 -59.531 6.128 1.00 0.00 H new ATOM 0 HA TYR A 13 13.305 -60.259 4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 13 15.638 -61.951 5.002 1.00 0.00 H new ATOM 0 HB3 TYR A 13 14.810 -62.507 3.561 1.00 0.00 H new ATOM 0 HD1 TYR A 13 15.635 -58.974 4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.052 -61.881 1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 13 16.758 -57.330 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 13 17.171 -60.230 0.283 1.00 0.00 H new ATOM 0 HH TYR A 13 17.122 -56.869 1.052 1.00 0.00 H new ATOM 227 N LYS A 14 12.075 -62.853 5.596 1.00 0.00 N ATOM 228 CA LYS A 14 10.810 -63.595 5.673 1.00 0.00 C ATOM 229 C LYS A 14 9.588 -62.659 5.592 1.00 0.00 C ATOM 230 O LYS A 14 8.588 -62.969 4.941 1.00 0.00 O ATOM 231 CB LYS A 14 10.769 -64.406 6.995 1.00 0.00 C ATOM 232 CG LYS A 14 11.872 -65.482 7.086 1.00 0.00 C ATOM 233 CD LYS A 14 11.817 -66.220 8.435 1.00 0.00 C ATOM 234 CE LYS A 14 12.927 -67.262 8.539 1.00 0.00 C ATOM 235 NZ LYS A 14 12.817 -67.893 9.845 1.00 0.00 N ATOM 0 H LYS A 14 12.650 -62.968 6.431 1.00 0.00 H new ATOM 0 HA LYS A 14 10.762 -64.270 4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.869 -63.721 7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.795 -64.886 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.755 -66.197 6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.850 -65.016 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.911 -65.502 9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.847 -66.705 8.548 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.831 -68.004 7.746 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.904 -66.794 8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.562 -68.611 9.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.925 -67.174 10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.885 -68.346 9.934 1.00 0.00 H new ATOM 249 N TYR A 15 9.666 -61.487 6.241 1.00 0.00 N ATOM 250 CA TYR A 15 8.718 -60.387 6.040 1.00 0.00 C ATOM 251 C TYR A 15 9.025 -59.595 4.747 1.00 0.00 C ATOM 252 O TYR A 15 9.364 -58.404 4.718 1.00 0.00 O ATOM 253 CB TYR A 15 8.689 -59.499 7.307 1.00 0.00 C ATOM 254 CG TYR A 15 8.005 -60.245 8.461 1.00 0.00 C ATOM 255 CD1 TYR A 15 6.635 -60.443 8.471 1.00 0.00 C ATOM 256 CD2 TYR A 15 8.728 -60.743 9.530 1.00 0.00 C ATOM 257 CE1 TYR A 15 6.006 -61.107 9.507 1.00 0.00 C ATOM 258 CE2 TYR A 15 8.109 -61.407 10.570 1.00 0.00 C ATOM 259 CZ TYR A 15 6.750 -61.587 10.558 1.00 0.00 C ATOM 260 OH TYR A 15 6.156 -62.242 11.587 1.00 0.00 O ATOM 0 H TYR A 15 10.394 -61.277 6.924 1.00 0.00 H new ATOM 0 HA TYR A 15 7.717 -60.793 5.895 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.705 -59.226 7.592 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.157 -58.571 7.098 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.043 -60.069 7.649 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.800 -60.609 9.551 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.935 -61.248 9.491 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.696 -61.785 11.394 1.00 0.00 H new ATOM 0 HH TYR A 15 6.836 -62.511 12.240 1.00 0.00 H new ATOM 270 N ALA A 16 8.812 -60.363 3.669 1.00 0.00 N ATOM 271 CA ALA A 16 9.179 -60.026 2.296 1.00 0.00 C ATOM 272 C ALA A 16 8.545 -58.732 1.764 1.00 0.00 C ATOM 273 O ALA A 16 9.254 -57.877 1.237 1.00 0.00 O ATOM 274 CB ALA A 16 8.822 -61.233 1.402 1.00 0.00 C ATOM 0 H ALA A 16 8.359 -61.274 3.739 1.00 0.00 H new ATOM 0 HA ALA A 16 10.250 -59.823 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.085 -61.010 0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.376 -62.110 1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.752 -61.432 1.469 1.00 0.00 H new ATOM 280 N MET A 17 7.230 -58.571 1.955 1.00 0.00 N ATOM 281 CA MET A 17 6.479 -57.381 1.551 1.00 0.00 C ATOM 282 C MET A 17 6.918 -56.110 2.311 1.00 0.00 C ATOM 283 O MET A 17 6.930 -55.016 1.746 1.00 0.00 O ATOM 284 CB MET A 17 4.972 -57.688 1.773 1.00 0.00 C ATOM 285 CG MET A 17 4.013 -56.610 1.215 1.00 0.00 C ATOM 286 SD MET A 17 2.270 -57.025 1.487 1.00 0.00 S ATOM 287 CE MET A 17 1.853 -57.805 -0.093 1.00 0.00 C ATOM 0 H MET A 17 6.649 -59.279 2.404 1.00 0.00 H new ATOM 0 HA MET A 17 6.678 -57.165 0.501 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.736 -58.644 1.306 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.790 -57.801 2.842 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.233 -55.653 1.687 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.192 -56.487 0.147 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.808 -58.116 -0.081 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.010 -57.093 -0.903 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.489 -58.676 -0.248 1.00 0.00 H new ATOM 297 N LEU A 18 7.343 -56.254 3.574 1.00 0.00 N ATOM 298 CA LEU A 18 7.697 -55.128 4.437 1.00 0.00 C ATOM 299 C LEU A 18 9.134 -54.643 4.211 1.00 0.00 C ATOM 300 O LEU A 18 9.361 -53.430 4.144 1.00 0.00 O ATOM 301 CB LEU A 18 7.418 -55.500 5.915 1.00 0.00 C ATOM 302 CG LEU A 18 5.953 -55.938 6.177 1.00 0.00 C ATOM 303 CD1 LEU A 18 5.773 -56.350 7.642 1.00 0.00 C ATOM 304 CD2 LEU A 18 4.942 -54.835 5.814 1.00 0.00 C ATOM 0 H LEU A 18 7.450 -57.163 4.025 1.00 0.00 H new ATOM 0 HA LEU A 18 7.067 -54.279 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.089 -56.307 6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.651 -54.643 6.547 1.00 0.00 H new ATOM 0 HG LEU A 18 5.754 -56.793 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.740 -56.655 7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.439 -57.183 7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.012 -55.506 8.289 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.931 -55.188 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.142 -53.947 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.037 -54.588 4.757 1.00 0.00 H new ATOM 316 N LYS A 19 10.121 -55.541 4.081 1.00 0.00 N ATOM 317 CA LYS A 19 11.405 -55.133 3.506 1.00 0.00 C ATOM 318 C LYS A 19 11.304 -54.727 2.013 1.00 0.00 C ATOM 319 O LYS A 19 12.104 -53.902 1.578 1.00 0.00 O ATOM 320 CB LYS A 19 12.486 -56.220 3.747 1.00 0.00 C ATOM 321 CG LYS A 19 12.316 -57.552 2.973 1.00 0.00 C ATOM 322 CD LYS A 19 13.111 -57.601 1.649 1.00 0.00 C ATOM 323 CE LYS A 19 12.895 -58.903 0.891 1.00 0.00 C ATOM 324 NZ LYS A 19 13.792 -58.877 -0.253 1.00 0.00 N ATOM 0 H LYS A 19 10.058 -56.521 4.356 1.00 0.00 H new ATOM 0 HA LYS A 19 11.714 -54.228 4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.457 -55.798 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.510 -56.446 4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.635 -58.377 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.258 -57.706 2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.814 -56.763 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.173 -57.479 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.107 -59.761 1.529 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.858 -58.994 0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.450 -59.540 -0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.822 -57.916 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.747 -59.157 0.048 1.00 0.00 H new ATOM 338 N LYS A 20 10.391 -55.257 1.175 1.00 0.00 N ATOM 339 CA LYS A 20 10.143 -54.695 -0.161 1.00 0.00 C ATOM 340 C LYS A 20 9.486 -53.296 -0.075 1.00 0.00 C ATOM 341 O LYS A 20 9.718 -52.474 -0.962 1.00 0.00 O ATOM 342 CB LYS A 20 9.278 -55.670 -0.998 1.00 0.00 C ATOM 343 CG LYS A 20 9.227 -55.347 -2.507 1.00 0.00 C ATOM 344 CD LYS A 20 8.340 -56.353 -3.260 1.00 0.00 C ATOM 345 CE LYS A 20 8.289 -56.031 -4.751 1.00 0.00 C ATOM 346 NZ LYS A 20 7.431 -57.020 -5.386 1.00 0.00 N ATOM 0 H LYS A 20 9.817 -56.069 1.401 1.00 0.00 H new ATOM 0 HA LYS A 20 11.103 -54.568 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.664 -56.681 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.262 -55.664 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.842 -54.338 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.235 -55.366 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.726 -57.362 -3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.332 -56.335 -2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.899 -55.026 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.289 -56.058 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.375 -56.827 -6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.825 -57.970 -5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.478 -56.970 -4.972 1.00 0.00 H new ATOM 360 N CYS A 21 8.671 -52.982 0.950 1.00 0.00 N ATOM 361 CA CYS A 21 8.251 -51.606 1.245 1.00 0.00 C ATOM 362 C CYS A 21 9.425 -50.672 1.642 1.00 0.00 C ATOM 363 O CYS A 21 9.447 -49.506 1.228 1.00 0.00 O ATOM 364 CB CYS A 21 7.170 -51.673 2.329 1.00 0.00 C ATOM 365 SG CYS A 21 6.156 -50.181 2.429 1.00 0.00 S ATOM 0 H CYS A 21 8.288 -53.675 1.593 1.00 0.00 H new ATOM 0 HA CYS A 21 7.850 -51.155 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.524 -52.529 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.645 -51.845 3.295 1.00 0.00 H new ATOM 370 N CYS A 22 10.417 -51.178 2.407 1.00 0.00 N ATOM 371 CA CYS A 22 11.767 -50.582 2.479 1.00 0.00 C ATOM 372 C CYS A 22 12.309 -50.296 1.087 1.00 0.00 C ATOM 373 O CYS A 22 12.584 -49.147 0.753 1.00 0.00 O ATOM 374 CB CYS A 22 12.723 -51.416 3.366 1.00 0.00 C ATOM 375 SG CYS A 22 13.961 -50.446 4.276 1.00 0.00 S ATOM 0 H CYS A 22 10.304 -52.008 2.989 1.00 0.00 H new ATOM 0 HA CYS A 22 11.690 -49.617 2.979 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.129 -51.983 4.082 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.241 -52.140 2.737 1.00 0.00 H new ATOM 380 N TYR A 23 12.392 -51.295 0.236 1.00 0.00 N ATOM 381 CA TYR A 23 13.017 -51.106 -1.061 1.00 0.00 C ATOM 382 C TYR A 23 12.174 -50.271 -2.064 1.00 0.00 C ATOM 383 O TYR A 23 12.728 -49.675 -2.990 1.00 0.00 O ATOM 384 CB TYR A 23 13.508 -52.479 -1.477 1.00 0.00 C ATOM 385 CG TYR A 23 14.440 -53.145 -0.420 1.00 0.00 C ATOM 386 CD1 TYR A 23 14.989 -52.577 0.762 1.00 0.00 C ATOM 387 CD2 TYR A 23 14.845 -54.424 -0.750 1.00 0.00 C ATOM 388 CE1 TYR A 23 15.938 -53.286 1.484 1.00 0.00 C ATOM 389 CE2 TYR A 23 15.779 -55.119 -0.018 1.00 0.00 C ATOM 390 CZ TYR A 23 16.334 -54.547 1.092 1.00 0.00 C ATOM 391 OH TYR A 23 17.292 -55.244 1.764 1.00 0.00 O ATOM 0 H TYR A 23 12.041 -52.236 0.412 1.00 0.00 H new ATOM 0 HA TYR A 23 13.881 -50.443 -1.025 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.649 -53.127 -1.654 1.00 0.00 H new ATOM 0 HB3 TYR A 23 14.044 -52.395 -2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.670 -51.601 1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 23 14.410 -54.897 -1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.374 -52.843 2.367 1.00 0.00 H new ATOM 0 HE2 TYR A 23 16.073 -56.114 -0.319 1.00 0.00 H new ATOM 0 HH TYR A 23 17.928 -54.618 2.169 1.00 0.00 H new ATOM 401 N ASP A 24 10.847 -50.178 -1.859 1.00 0.00 N ATOM 402 CA ASP A 24 9.971 -49.139 -2.429 1.00 0.00 C ATOM 403 C ASP A 24 10.355 -47.713 -1.975 1.00 0.00 C ATOM 404 O ASP A 24 10.230 -46.768 -2.757 1.00 0.00 O ATOM 405 CB ASP A 24 8.494 -49.454 -2.026 1.00 0.00 C ATOM 406 CG ASP A 24 7.500 -48.945 -3.065 1.00 0.00 C ATOM 407 OD1 ASP A 24 7.212 -47.749 -3.082 1.00 0.00 O ATOM 408 OD2 ASP A 24 7.015 -49.758 -3.844 1.00 0.00 O ATOM 0 H ASP A 24 10.341 -50.843 -1.275 1.00 0.00 H new ATOM 0 HA ASP A 24 10.089 -49.158 -3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.373 -50.530 -1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.276 -48.997 -1.061 1.00 0.00 H new ATOM 413 N GLY A 25 10.760 -47.549 -0.706 1.00 0.00 N ATOM 414 CA GLY A 25 11.408 -46.322 -0.218 1.00 0.00 C ATOM 415 C GLY A 25 12.846 -46.093 -0.703 1.00 0.00 C ATOM 416 O GLY A 25 13.236 -44.940 -0.871 1.00 0.00 O ATOM 0 H GLY A 25 10.647 -48.265 0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.802 -45.468 -0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.410 -46.343 0.872 1.00 0.00 H new ATOM 420 N ALA A 26 13.659 -47.142 -0.891 1.00 0.00 N ATOM 421 CA ALA A 26 15.015 -47.020 -1.445 1.00 0.00 C ATOM 422 C ALA A 26 15.061 -46.621 -2.934 1.00 0.00 C ATOM 423 O ALA A 26 15.807 -45.702 -3.283 1.00 0.00 O ATOM 424 CB ALA A 26 15.805 -48.325 -1.223 1.00 0.00 C ATOM 0 H ALA A 26 13.395 -48.100 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 26 15.481 -46.198 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.807 -48.219 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.875 -48.531 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.292 -49.150 -1.718 1.00 0.00 H new ATOM 430 N TYR A 27 14.287 -47.252 -3.834 1.00 0.00 N ATOM 431 CA TYR A 27 14.289 -46.914 -5.268 1.00 0.00 C ATOM 432 C TYR A 27 13.528 -45.606 -5.617 1.00 0.00 C ATOM 433 O TYR A 27 12.643 -45.558 -6.477 1.00 0.00 O ATOM 434 CB TYR A 27 13.768 -48.133 -6.084 1.00 0.00 C ATOM 435 CG TYR A 27 14.797 -49.274 -6.114 1.00 0.00 C ATOM 436 CD1 TYR A 27 15.815 -49.302 -7.052 1.00 0.00 C ATOM 437 CD2 TYR A 27 14.740 -50.320 -5.209 1.00 0.00 C ATOM 438 CE1 TYR A 27 16.737 -50.330 -7.083 1.00 0.00 C ATOM 439 CE2 TYR A 27 15.657 -51.353 -5.231 1.00 0.00 C ATOM 440 CZ TYR A 27 16.657 -51.354 -6.173 1.00 0.00 C ATOM 441 OH TYR A 27 17.569 -52.357 -6.218 1.00 0.00 O ATOM 0 H TYR A 27 13.646 -48.007 -3.590 1.00 0.00 H new ATOM 0 HA TYR A 27 15.321 -46.701 -5.548 1.00 0.00 H new ATOM 0 HB2 TYR A 27 12.837 -48.493 -5.647 1.00 0.00 H new ATOM 0 HB3 TYR A 27 13.541 -47.820 -7.103 1.00 0.00 H new ATOM 0 HD1 TYR A 27 15.890 -48.503 -7.775 1.00 0.00 H new ATOM 0 HD2 TYR A 27 13.957 -50.329 -4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 27 17.522 -50.328 -7.825 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.588 -52.155 -4.512 1.00 0.00 H new ATOM 0 HH TYR A 27 17.378 -53.005 -5.508 1.00 0.00 H new ATOM 451 N ARG A 28 13.921 -44.507 -4.957 1.00 0.00 N ATOM 452 CA ARG A 28 13.301 -43.186 -5.107 1.00 0.00 C ATOM 453 C ARG A 28 14.309 -42.088 -5.525 1.00 0.00 C ATOM 454 O ARG A 28 15.513 -42.192 -5.263 1.00 0.00 O ATOM 455 CB ARG A 28 12.596 -42.815 -3.768 1.00 0.00 C ATOM 456 CG ARG A 28 11.362 -43.689 -3.414 1.00 0.00 C ATOM 457 CD ARG A 28 10.139 -43.436 -4.296 1.00 0.00 C ATOM 458 NE ARG A 28 9.115 -44.440 -4.000 1.00 0.00 N ATOM 459 CZ ARG A 28 7.856 -44.329 -4.330 1.00 0.00 C ATOM 460 NH1 ARG A 28 7.338 -43.269 -4.831 1.00 0.00 N ATOM 461 NH2 ARG A 28 7.049 -45.296 -4.131 1.00 0.00 N ATOM 0 H ARG A 28 14.694 -44.513 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 28 12.573 -43.241 -5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.322 -42.892 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.282 -41.772 -3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.641 -44.740 -3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.089 -43.508 -2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.747 -42.435 -4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.419 -43.484 -5.348 1.00 0.00 H new ATOM 0 HE ARG A 28 9.404 -45.282 -3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.918 -42.446 -4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.346 -43.249 -5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.385 -46.163 -3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.067 -45.203 -4.391 1.00 0.00 H new ATOM 475 N ASN A 29 13.813 -41.002 -6.143 1.00 0.00 N ATOM 476 CA ASN A 29 14.655 -39.986 -6.792 1.00 0.00 C ATOM 477 C ASN A 29 13.950 -38.615 -6.876 1.00 0.00 C ATOM 478 O ASN A 29 14.245 -37.725 -6.077 1.00 0.00 O ATOM 479 CB ASN A 29 15.123 -40.510 -8.192 1.00 0.00 C ATOM 480 CG ASN A 29 16.078 -39.538 -8.892 1.00 0.00 C ATOM 481 OD1 ASN A 29 17.171 -39.253 -8.423 1.00 0.00 O ATOM 482 ND2 ASN A 29 15.733 -38.991 -10.040 1.00 0.00 N ATOM 0 H ASN A 29 12.814 -40.805 -6.206 1.00 0.00 H new ATOM 0 HA ASN A 29 15.540 -39.819 -6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.616 -41.474 -8.069 1.00 0.00 H new ATOM 0 HB3 ASN A 29 14.251 -40.676 -8.824 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.371 -38.350 -10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.828 -39.209 -10.457 1.00 0.00 H new ATOM 489 N ASP A 30 12.995 -38.418 -7.800 1.00 0.00 N ATOM 490 CA ASP A 30 12.268 -37.157 -8.020 1.00 0.00 C ATOM 491 C ASP A 30 11.224 -36.827 -6.920 1.00 0.00 C ATOM 492 O ASP A 30 10.096 -36.400 -7.179 1.00 0.00 O ATOM 493 CB ASP A 30 11.610 -37.237 -9.432 1.00 0.00 C ATOM 494 CG ASP A 30 12.648 -37.425 -10.536 1.00 0.00 C ATOM 495 OD1 ASP A 30 13.103 -38.554 -10.728 1.00 0.00 O ATOM 496 OD2 ASP A 30 13.001 -36.443 -11.180 1.00 0.00 O ATOM 0 H ASP A 30 12.698 -39.158 -8.436 1.00 0.00 H new ATOM 0 HA ASP A 30 12.980 -36.333 -7.964 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.901 -38.065 -9.456 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.042 -36.326 -9.620 1.00 0.00 H new ATOM 501 N ASP A 31 11.622 -36.996 -5.657 1.00 0.00 N ATOM 502 CA ASP A 31 10.719 -36.960 -4.509 1.00 0.00 C ATOM 503 C ASP A 31 11.018 -35.782 -3.560 1.00 0.00 C ATOM 504 O ASP A 31 11.994 -35.781 -2.808 1.00 0.00 O ATOM 505 CB ASP A 31 10.818 -38.329 -3.779 1.00 0.00 C ATOM 506 CG ASP A 31 10.401 -39.472 -4.702 1.00 0.00 C ATOM 507 OD1 ASP A 31 9.205 -39.750 -4.791 1.00 0.00 O ATOM 508 OD2 ASP A 31 11.266 -40.080 -5.333 1.00 0.00 O ATOM 0 H ASP A 31 12.595 -37.164 -5.402 1.00 0.00 H new ATOM 0 HA ASP A 31 9.699 -36.795 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.840 -38.489 -3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.181 -38.320 -2.894 1.00 0.00 H new ATOM 513 N GLU A 32 10.152 -34.762 -3.635 1.00 0.00 N ATOM 514 CA GLU A 32 10.201 -33.572 -2.779 1.00 0.00 C ATOM 515 C GLU A 32 9.976 -33.871 -1.278 1.00 0.00 C ATOM 516 O GLU A 32 10.560 -33.214 -0.411 1.00 0.00 O ATOM 517 CB GLU A 32 9.130 -32.578 -3.318 1.00 0.00 C ATOM 518 CG GLU A 32 9.200 -31.126 -2.736 1.00 0.00 C ATOM 519 CD GLU A 32 10.426 -30.340 -3.213 1.00 0.00 C ATOM 520 OE1 GLU A 32 10.446 -29.934 -4.373 1.00 0.00 O ATOM 521 OE2 GLU A 32 11.335 -30.132 -2.415 1.00 0.00 O ATOM 0 H GLU A 32 9.384 -34.742 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 32 11.204 -33.148 -2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.227 -32.521 -4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.142 -32.987 -3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.297 -30.585 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.212 -31.179 -1.647 1.00 0.00 H new ATOM 528 N THR A 33 9.103 -34.828 -0.929 1.00 0.00 N ATOM 529 CA THR A 33 8.856 -35.244 0.461 1.00 0.00 C ATOM 530 C THR A 33 8.395 -36.713 0.527 1.00 0.00 C ATOM 531 O THR A 33 7.378 -37.084 -0.068 1.00 0.00 O ATOM 532 CB THR A 33 7.819 -34.307 1.163 1.00 0.00 C ATOM 533 OG1 THR A 33 8.309 -32.978 1.224 1.00 0.00 O ATOM 534 CG2 THR A 33 7.563 -34.613 2.635 1.00 0.00 C ATOM 0 H THR A 33 8.543 -35.340 -1.610 1.00 0.00 H new ATOM 0 HA THR A 33 9.800 -35.159 0.999 1.00 0.00 H new ATOM 0 HB THR A 33 6.920 -34.454 0.565 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.194 -32.936 0.805 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.830 -33.910 3.031 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.181 -35.629 2.734 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.494 -34.519 3.193 1.00 0.00 H new ATOM 542 N CYS A 34 9.149 -37.541 1.269 1.00 0.00 N ATOM 543 CA CYS A 34 8.900 -38.979 1.445 1.00 0.00 C ATOM 544 C CYS A 34 7.516 -39.312 2.035 1.00 0.00 C ATOM 545 O CYS A 34 6.825 -40.219 1.566 1.00 0.00 O ATOM 546 CB CYS A 34 9.989 -39.562 2.387 1.00 0.00 C ATOM 547 SG CYS A 34 11.670 -39.627 1.714 1.00 0.00 S ATOM 0 H CYS A 34 9.972 -37.218 1.777 1.00 0.00 H new ATOM 0 HA CYS A 34 8.932 -39.422 0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.007 -38.967 3.300 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.693 -40.572 2.670 1.00 0.00 H new ATOM 552 N GLU A 35 7.120 -38.547 3.059 1.00 0.00 N ATOM 553 CA GLU A 35 5.862 -38.714 3.788 1.00 0.00 C ATOM 554 C GLU A 35 4.602 -38.438 2.944 1.00 0.00 C ATOM 555 O GLU A 35 3.557 -39.003 3.255 1.00 0.00 O ATOM 556 CB GLU A 35 5.864 -37.791 5.044 1.00 0.00 C ATOM 557 CG GLU A 35 6.892 -38.147 6.177 1.00 0.00 C ATOM 558 CD GLU A 35 8.378 -38.040 5.800 1.00 0.00 C ATOM 559 OE1 GLU A 35 8.750 -37.179 4.998 1.00 0.00 O ATOM 560 OE2 GLU A 35 9.152 -38.848 6.304 1.00 0.00 O ATOM 0 H GLU A 35 7.684 -37.773 3.412 1.00 0.00 H new ATOM 0 HA GLU A 35 5.810 -39.765 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.059 -36.770 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.863 -37.802 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.706 -37.491 7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.695 -39.166 6.511 1.00 0.00 H new ATOM 567 N GLU A 36 4.656 -37.601 1.895 1.00 0.00 N ATOM 568 CA GLU A 36 3.534 -37.397 0.967 1.00 0.00 C ATOM 569 C GLU A 36 3.332 -38.650 0.088 1.00 0.00 C ATOM 570 O GLU A 36 2.228 -39.204 0.000 1.00 0.00 O ATOM 571 CB GLU A 36 3.812 -36.110 0.128 1.00 0.00 C ATOM 572 CG GLU A 36 2.625 -35.553 -0.742 1.00 0.00 C ATOM 573 CD GLU A 36 2.293 -36.341 -2.018 1.00 0.00 C ATOM 574 OE1 GLU A 36 3.202 -36.681 -2.774 1.00 0.00 O ATOM 575 OE2 GLU A 36 1.107 -36.589 -2.248 1.00 0.00 O ATOM 0 H GLU A 36 5.481 -37.046 1.667 1.00 0.00 H new ATOM 0 HA GLU A 36 2.602 -37.252 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.130 -35.322 0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.652 -36.314 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.731 -35.517 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.859 -34.526 -1.024 1.00 0.00 H new ATOM 582 N ARG A 37 4.436 -39.099 -0.531 1.00 0.00 N ATOM 583 CA ARG A 37 4.469 -40.340 -1.302 1.00 0.00 C ATOM 584 C ARG A 37 4.052 -41.539 -0.436 1.00 0.00 C ATOM 585 O ARG A 37 3.201 -42.321 -0.855 1.00 0.00 O ATOM 586 CB ARG A 37 5.877 -40.600 -1.903 1.00 0.00 C ATOM 587 CG ARG A 37 6.479 -39.491 -2.804 1.00 0.00 C ATOM 588 CD ARG A 37 5.635 -39.015 -4.006 1.00 0.00 C ATOM 589 NE ARG A 37 5.153 -40.130 -4.828 1.00 0.00 N ATOM 590 CZ ARG A 37 5.743 -40.632 -5.876 1.00 0.00 C ATOM 591 NH1 ARG A 37 6.979 -40.494 -6.181 1.00 0.00 N ATOM 592 NH2 ARG A 37 5.049 -41.396 -6.625 1.00 0.00 N ATOM 0 H ARG A 37 5.329 -38.607 -0.507 1.00 0.00 H new ATOM 0 HA ARG A 37 3.757 -40.226 -2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.568 -40.778 -1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.831 -41.520 -2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.690 -38.625 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.435 -39.849 -3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.783 -38.440 -3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.233 -38.344 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 37 4.268 -40.555 -4.552 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.596 -39.950 -5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.347 -40.928 -7.027 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.075 -41.591 -6.392 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.468 -41.812 -7.457 1.00 0.00 H new ATOM 606 N ALA A 38 4.605 -41.698 0.773 1.00 0.00 N ATOM 607 CA ALA A 38 4.185 -42.750 1.694 1.00 0.00 C ATOM 608 C ALA A 38 2.902 -42.488 2.518 1.00 0.00 C ATOM 609 O ALA A 38 2.467 -43.375 3.250 1.00 0.00 O ATOM 610 CB ALA A 38 5.401 -43.197 2.485 1.00 0.00 C ATOM 0 H ALA A 38 5.351 -41.103 1.134 1.00 0.00 H new ATOM 0 HA ALA A 38 3.820 -43.587 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.113 -43.984 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.160 -43.577 1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.805 -42.351 3.041 1.00 0.00 H new ATOM 616 N ALA A 39 2.262 -41.310 2.466 1.00 0.00 N ATOM 617 CA ALA A 39 0.818 -41.199 2.707 1.00 0.00 C ATOM 618 C ALA A 39 -0.015 -41.888 1.606 1.00 0.00 C ATOM 619 O ALA A 39 -1.102 -42.394 1.887 1.00 0.00 O ATOM 620 CB ALA A 39 0.417 -39.717 2.840 1.00 0.00 C ATOM 0 H ALA A 39 2.722 -40.423 2.260 1.00 0.00 H new ATOM 0 HA ALA A 39 0.602 -41.718 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.656 -39.645 3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.955 -39.268 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.668 -39.188 1.921 1.00 0.00 H new ATOM 626 N ARG A 40 0.458 -41.885 0.348 1.00 0.00 N ATOM 627 CA ARG A 40 -0.135 -42.718 -0.714 1.00 0.00 C ATOM 628 C ARG A 40 0.210 -44.225 -0.570 1.00 0.00 C ATOM 629 O ARG A 40 -0.634 -45.071 -0.874 1.00 0.00 O ATOM 630 CB ARG A 40 0.273 -42.196 -2.125 1.00 0.00 C ATOM 631 CG ARG A 40 0.169 -40.663 -2.347 1.00 0.00 C ATOM 632 CD ARG A 40 -1.231 -40.054 -2.237 1.00 0.00 C ATOM 633 NE ARG A 40 -1.050 -38.607 -2.335 1.00 0.00 N ATOM 634 CZ ARG A 40 -1.984 -37.709 -2.421 1.00 0.00 C ATOM 635 NH1 ARG A 40 -3.240 -37.955 -2.449 1.00 0.00 N ATOM 636 NH2 ARG A 40 -1.589 -36.502 -2.481 1.00 0.00 N ATOM 0 H ARG A 40 1.247 -41.317 0.041 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.216 -42.632 -0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.301 -42.501 -2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.352 -42.693 -2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.815 -40.168 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.565 -40.433 -3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.880 -40.421 -3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.701 -40.325 -1.292 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.088 -38.267 -2.336 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.572 -38.918 -2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.909 -37.188 -2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.591 -36.290 -2.460 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.270 -35.745 -2.550 1.00 0.00 H new ATOM 650 N ILE A 41 1.436 -44.615 -0.170 1.00 0.00 N ATOM 651 CA ILE A 41 1.781 -45.986 0.252 1.00 0.00 C ATOM 652 C ILE A 41 1.198 -46.357 1.639 1.00 0.00 C ATOM 653 O ILE A 41 1.791 -46.394 2.718 1.00 0.00 O ATOM 654 CB ILE A 41 3.281 -46.378 0.047 1.00 0.00 C ATOM 655 CG1 ILE A 41 3.704 -46.213 -1.428 1.00 0.00 C ATOM 656 CG2 ILE A 41 3.550 -47.809 0.421 1.00 0.00 C ATOM 657 CD1 ILE A 41 4.552 -44.973 -1.500 1.00 0.00 C ATOM 0 H ILE A 41 2.228 -43.974 -0.131 1.00 0.00 H new ATOM 0 HA ILE A 41 1.265 -46.636 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 41 3.850 -45.710 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.263 -47.084 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.830 -46.122 -2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.604 -48.035 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.300 -47.964 1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.941 -48.468 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.877 -44.814 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.970 -44.114 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.425 -45.091 -0.858 1.00 0.00 H new ATOM 669 N LYS A 42 -0.060 -46.717 1.438 1.00 0.00 N ATOM 670 CA LYS A 42 -1.076 -46.972 2.461 1.00 0.00 C ATOM 671 C LYS A 42 -1.148 -48.404 3.028 1.00 0.00 C ATOM 672 O LYS A 42 -2.038 -48.660 3.848 1.00 0.00 O ATOM 673 CB LYS A 42 -2.461 -46.578 1.853 1.00 0.00 C ATOM 674 CG LYS A 42 -2.995 -45.203 2.318 1.00 0.00 C ATOM 675 CD LYS A 42 -4.057 -45.234 3.455 1.00 0.00 C ATOM 676 CE LYS A 42 -3.598 -45.650 4.865 1.00 0.00 C ATOM 677 NZ LYS A 42 -3.719 -47.096 5.047 1.00 0.00 N ATOM 0 H LYS A 42 -0.428 -46.849 0.496 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.790 -46.370 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.379 -46.574 0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.190 -47.345 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.150 -44.601 2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.428 -44.693 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.497 -44.239 3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.853 -45.913 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.563 -45.345 5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.198 -45.134 5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.823 -47.311 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.554 -47.442 4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.867 -47.565 4.679 1.00 0.00 H new ATOM 691 N ILE A 43 -0.243 -49.318 2.650 1.00 0.00 N ATOM 692 CA ILE A 43 -0.394 -50.766 2.871 1.00 0.00 C ATOM 693 C ILE A 43 -0.381 -51.187 4.359 1.00 0.00 C ATOM 694 O ILE A 43 -1.267 -51.938 4.773 1.00 0.00 O ATOM 695 CB ILE A 43 0.659 -51.540 2.000 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.458 -51.232 0.484 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.601 -53.078 2.227 1.00 0.00 C ATOM 698 CD1 ILE A 43 1.658 -51.617 -0.411 1.00 0.00 C ATOM 0 H ILE A 43 0.626 -49.071 2.176 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.395 -51.046 2.541 1.00 0.00 H new ATOM 0 HB ILE A 43 1.641 -51.190 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.427 -51.763 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.259 -50.167 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.348 -53.566 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.804 -53.299 3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.390 -53.448 1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.433 -51.369 -1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.543 -51.067 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.846 -52.687 -0.327 1.00 0.00 H new ATOM 710 N GLY A 44 0.565 -50.722 5.190 1.00 0.00 N ATOM 711 CA GLY A 44 0.586 -51.078 6.620 1.00 0.00 C ATOM 712 C GLY A 44 1.545 -50.252 7.505 1.00 0.00 C ATOM 713 O GLY A 44 2.498 -49.701 6.948 1.00 0.00 O ATOM 0 H GLY A 44 1.322 -50.102 4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.424 -50.973 7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.856 -52.130 6.709 1.00 0.00 H new ATOM 717 N PRO A 45 1.382 -50.144 8.852 1.00 0.00 N ATOM 718 CA PRO A 45 2.264 -49.373 9.763 1.00 0.00 C ATOM 719 C PRO A 45 3.774 -49.676 9.664 1.00 0.00 C ATOM 720 O PRO A 45 4.589 -48.760 9.514 1.00 0.00 O ATOM 721 CB PRO A 45 1.727 -49.721 11.164 1.00 0.00 C ATOM 722 CG PRO A 45 0.253 -49.922 10.902 1.00 0.00 C ATOM 723 CD PRO A 45 0.259 -50.722 9.603 1.00 0.00 C ATOM 0 HA PRO A 45 2.224 -48.315 9.503 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.195 -50.619 11.567 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.907 -48.919 11.880 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.233 -50.466 11.712 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.274 -48.974 10.793 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.404 -51.786 9.787 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.682 -50.618 9.063 1.00 0.00 H new ATOM 731 N LYS A 46 4.135 -50.969 9.724 1.00 0.00 N ATOM 732 CA LYS A 46 5.508 -51.444 9.528 1.00 0.00 C ATOM 733 C LYS A 46 6.059 -51.163 8.116 1.00 0.00 C ATOM 734 O LYS A 46 7.265 -50.961 7.964 1.00 0.00 O ATOM 735 CB LYS A 46 5.598 -52.957 9.833 1.00 0.00 C ATOM 736 CG LYS A 46 5.418 -53.316 11.323 1.00 0.00 C ATOM 737 CD LYS A 46 5.614 -54.831 11.529 1.00 0.00 C ATOM 738 CE LYS A 46 5.484 -55.232 12.994 1.00 0.00 C ATOM 739 NZ LYS A 46 5.720 -56.666 13.075 1.00 0.00 N ATOM 0 H LYS A 46 3.471 -51.720 9.912 1.00 0.00 H new ATOM 0 HA LYS A 46 6.129 -50.881 10.225 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.838 -53.479 9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.567 -53.327 9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.136 -52.763 11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.424 -53.021 11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.877 -55.375 10.938 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.597 -55.122 11.160 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.204 -54.689 13.606 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.493 -54.984 13.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.639 -56.976 14.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.016 -57.167 12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.674 -56.881 12.722 1.00 0.00 H new ATOM 753 N CYS A 47 5.174 -51.131 7.106 1.00 0.00 N ATOM 754 CA CYS A 47 5.502 -50.753 5.731 1.00 0.00 C ATOM 755 C CYS A 47 5.868 -49.258 5.675 1.00 0.00 C ATOM 756 O CYS A 47 7.014 -48.969 5.331 1.00 0.00 O ATOM 757 CB CYS A 47 4.294 -51.115 4.821 1.00 0.00 C ATOM 758 SG CYS A 47 4.357 -50.877 3.021 1.00 0.00 S ATOM 0 H CYS A 47 4.191 -51.373 7.231 1.00 0.00 H new ATOM 0 HA CYS A 47 6.372 -51.300 5.368 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.072 -52.168 4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.440 -50.545 5.186 1.00 0.00 H new ATOM 763 N VAL A 48 4.971 -48.311 6.023 1.00 0.00 N ATOM 764 CA VAL A 48 5.305 -46.883 6.144 1.00 0.00 C ATOM 765 C VAL A 48 6.565 -46.569 6.977 1.00 0.00 C ATOM 766 O VAL A 48 7.279 -45.601 6.690 1.00 0.00 O ATOM 767 CB VAL A 48 4.133 -46.019 6.733 1.00 0.00 C ATOM 768 CG1 VAL A 48 3.906 -44.840 5.820 1.00 0.00 C ATOM 769 CG2 VAL A 48 2.772 -46.675 6.895 1.00 0.00 C ATOM 0 H VAL A 48 3.994 -48.520 6.228 1.00 0.00 H new ATOM 0 HA VAL A 48 5.500 -46.613 5.106 1.00 0.00 H new ATOM 0 HB VAL A 48 4.479 -45.788 7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.095 -44.227 6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.817 -44.244 5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.642 -45.196 4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.068 -45.955 7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.413 -47.012 5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.857 -47.529 7.567 1.00 0.00 H new ATOM 779 N LYS A 49 6.793 -47.331 8.054 1.00 0.00 N ATOM 780 CA LYS A 49 8.039 -47.258 8.830 1.00 0.00 C ATOM 781 C LYS A 49 9.295 -47.741 8.053 1.00 0.00 C ATOM 782 O LYS A 49 10.214 -46.930 7.880 1.00 0.00 O ATOM 783 CB LYS A 49 7.823 -48.036 10.140 1.00 0.00 C ATOM 784 CG LYS A 49 8.847 -47.687 11.241 1.00 0.00 C ATOM 785 CD LYS A 49 8.710 -48.591 12.493 1.00 0.00 C ATOM 786 CE LYS A 49 8.991 -50.086 12.265 1.00 0.00 C ATOM 787 NZ LYS A 49 10.346 -50.222 11.748 1.00 0.00 N ATOM 0 H LYS A 49 6.123 -48.012 8.411 1.00 0.00 H new ATOM 0 HA LYS A 49 8.256 -46.211 9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.819 -47.833 10.512 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.876 -49.105 9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.855 -47.782 10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.718 -46.645 11.534 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.391 -48.224 13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.699 -48.485 12.887 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.883 -50.639 13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.272 -50.505 11.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.649 -51.214 11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.368 -49.930 10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.990 -49.620 12.299 1.00 0.00 H new ATOM 801 N ALA A 50 9.351 -49.001 7.557 1.00 0.00 N ATOM 802 CA ALA A 50 10.410 -49.521 6.660 1.00 0.00 C ATOM 803 C ALA A 50 10.665 -48.558 5.474 1.00 0.00 C ATOM 804 O ALA A 50 11.815 -48.225 5.175 1.00 0.00 O ATOM 805 CB ALA A 50 9.966 -50.920 6.157 1.00 0.00 C ATOM 0 H ALA A 50 8.642 -49.701 7.776 1.00 0.00 H new ATOM 0 HA ALA A 50 11.350 -49.601 7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.729 -51.327 5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.832 -51.587 7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.024 -50.830 5.615 1.00 0.00 H new ATOM 811 N PHE A 51 9.571 -48.043 4.877 1.00 0.00 N ATOM 812 CA PHE A 51 9.592 -47.015 3.833 1.00 0.00 C ATOM 813 C PHE A 51 10.343 -45.750 4.279 1.00 0.00 C ATOM 814 O PHE A 51 11.309 -45.399 3.604 1.00 0.00 O ATOM 815 CB PHE A 51 8.127 -46.652 3.454 1.00 0.00 C ATOM 816 CG PHE A 51 8.001 -46.001 2.070 1.00 0.00 C ATOM 817 CD1 PHE A 51 8.513 -44.746 1.775 1.00 0.00 C ATOM 818 CD2 PHE A 51 7.434 -46.705 1.026 1.00 0.00 C ATOM 819 CE1 PHE A 51 8.493 -44.232 0.496 1.00 0.00 C ATOM 820 CE2 PHE A 51 7.407 -46.206 -0.245 1.00 0.00 C ATOM 821 CZ PHE A 51 7.947 -44.971 -0.525 1.00 0.00 C ATOM 0 H PHE A 51 8.627 -48.343 5.119 1.00 0.00 H new ATOM 0 HA PHE A 51 10.123 -47.418 2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.518 -47.556 3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.722 -45.974 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.940 -44.154 2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.001 -47.675 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.905 -43.253 0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.958 -46.786 -1.038 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.941 -44.588 -1.535 1.00 0.00 H new ATOM 831 N LYS A 52 9.952 -45.058 5.369 1.00 0.00 N ATOM 832 CA LYS A 52 10.649 -43.845 5.828 1.00 0.00 C ATOM 833 C LYS A 52 12.128 -44.076 6.202 1.00 0.00 C ATOM 834 O LYS A 52 12.951 -43.170 6.044 1.00 0.00 O ATOM 835 CB LYS A 52 9.941 -43.199 7.041 1.00 0.00 C ATOM 836 CG LYS A 52 8.542 -42.647 6.734 1.00 0.00 C ATOM 837 CD LYS A 52 7.921 -42.016 8.003 1.00 0.00 C ATOM 838 CE LYS A 52 6.397 -42.124 8.039 1.00 0.00 C ATOM 839 NZ LYS A 52 6.067 -43.510 8.344 1.00 0.00 N ATOM 0 H LYS A 52 9.154 -45.322 5.947 1.00 0.00 H new ATOM 0 HA LYS A 52 10.616 -43.177 4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.860 -43.940 7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.563 -42.389 7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.604 -41.901 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.900 -43.448 6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.335 -42.505 8.885 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.207 -40.965 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.982 -41.455 8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.968 -41.829 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.034 -43.615 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.430 -44.127 7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.501 -43.779 9.250 1.00 0.00 H new ATOM 853 N ASP A 53 12.476 -45.267 6.711 1.00 0.00 N ATOM 854 CA ASP A 53 13.867 -45.628 7.005 1.00 0.00 C ATOM 855 C ASP A 53 14.751 -45.768 5.740 1.00 0.00 C ATOM 856 O ASP A 53 15.818 -45.139 5.617 1.00 0.00 O ATOM 857 CB ASP A 53 13.850 -46.899 7.902 1.00 0.00 C ATOM 858 CG ASP A 53 13.121 -46.696 9.235 1.00 0.00 C ATOM 859 OD1 ASP A 53 13.156 -45.592 9.792 1.00 0.00 O ATOM 860 OD2 ASP A 53 12.542 -47.661 9.727 1.00 0.00 O ATOM 0 H ASP A 53 11.804 -46.002 6.929 1.00 0.00 H new ATOM 0 HA ASP A 53 14.346 -44.813 7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.373 -47.713 7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.876 -47.207 8.101 1.00 0.00 H new ATOM 865 N CYS A 54 14.310 -46.577 4.772 1.00 0.00 N ATOM 866 CA CYS A 54 14.942 -46.606 3.454 1.00 0.00 C ATOM 867 C CYS A 54 14.793 -45.298 2.636 1.00 0.00 C ATOM 868 O CYS A 54 15.662 -45.022 1.807 1.00 0.00 O ATOM 869 CB CYS A 54 14.435 -47.811 2.670 1.00 0.00 C ATOM 870 SG CYS A 54 15.183 -49.429 3.021 1.00 0.00 S ATOM 0 H CYS A 54 13.522 -47.216 4.877 1.00 0.00 H new ATOM 0 HA CYS A 54 16.014 -46.697 3.629 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.362 -47.894 2.842 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.573 -47.602 1.609 1.00 0.00 H new ATOM 875 N CYS A 55 13.740 -44.478 2.811 1.00 0.00 N ATOM 876 CA CYS A 55 13.654 -43.137 2.209 1.00 0.00 C ATOM 877 C CYS A 55 14.645 -42.132 2.841 1.00 0.00 C ATOM 878 O CYS A 55 15.123 -41.218 2.161 1.00 0.00 O ATOM 879 CB CYS A 55 12.198 -42.613 2.249 1.00 0.00 C ATOM 880 SG CYS A 55 11.776 -41.473 0.900 1.00 0.00 S ATOM 0 H CYS A 55 12.926 -44.727 3.373 1.00 0.00 H new ATOM 0 HA CYS A 55 13.953 -43.233 1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.517 -43.464 2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.032 -42.108 3.201 1.00 0.00 H new ATOM 885 N TYR A 56 14.959 -42.277 4.142 1.00 0.00 N ATOM 886 CA TYR A 56 16.155 -41.689 4.760 1.00 0.00 C ATOM 887 C TYR A 56 17.443 -42.112 4.019 1.00 0.00 C ATOM 888 O TYR A 56 18.221 -41.225 3.659 1.00 0.00 O ATOM 889 CB TYR A 56 16.125 -41.978 6.299 1.00 0.00 C ATOM 890 CG TYR A 56 17.494 -42.180 6.973 1.00 0.00 C ATOM 891 CD1 TYR A 56 18.328 -41.126 7.312 1.00 0.00 C ATOM 892 CD2 TYR A 56 17.939 -43.457 7.272 1.00 0.00 C ATOM 893 CE1 TYR A 56 19.554 -41.345 7.918 1.00 0.00 C ATOM 894 CE2 TYR A 56 19.158 -43.681 7.876 1.00 0.00 C ATOM 895 CZ TYR A 56 19.968 -42.625 8.195 1.00 0.00 C ATOM 896 OH TYR A 56 21.179 -42.847 8.772 1.00 0.00 O ATOM 0 H TYR A 56 14.384 -42.809 4.795 1.00 0.00 H new ATOM 0 HA TYR A 56 16.155 -40.604 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.617 -41.151 6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 56 15.523 -42.870 6.470 1.00 0.00 H new ATOM 0 HD1 TYR A 56 18.016 -40.114 7.099 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.313 -44.302 7.025 1.00 0.00 H new ATOM 0 HE1 TYR A 56 20.186 -40.507 8.173 1.00 0.00 H new ATOM 0 HE2 TYR A 56 19.474 -44.690 8.097 1.00 0.00 H new ATOM 0 HH TYR A 56 21.310 -43.810 8.898 1.00 0.00 H new ATOM 906 N ILE A 57 17.670 -43.411 3.740 1.00 0.00 N ATOM 907 CA ILE A 57 18.756 -43.821 2.816 1.00 0.00 C ATOM 908 C ILE A 57 18.686 -43.172 1.423 1.00 0.00 C ATOM 909 O ILE A 57 19.698 -42.651 0.947 1.00 0.00 O ATOM 910 CB ILE A 57 18.852 -45.385 2.686 1.00 0.00 C ATOM 911 CG1 ILE A 57 19.168 -46.088 4.019 1.00 0.00 C ATOM 912 CG2 ILE A 57 19.821 -45.922 1.593 1.00 0.00 C ATOM 913 CD1 ILE A 57 20.376 -45.488 4.763 1.00 0.00 C ATOM 0 H ILE A 57 17.130 -44.183 4.130 1.00 0.00 H new ATOM 0 HA ILE A 57 19.667 -43.444 3.281 1.00 0.00 H new ATOM 0 HB ILE A 57 17.843 -45.639 2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.291 -46.035 4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.358 -47.144 3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 57 19.805 -47.012 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.505 -45.557 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 57 20.833 -45.574 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.539 -46.034 5.692 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.264 -45.566 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.181 -44.439 4.987 1.00 0.00 H new ATOM 925 N ALA A 58 17.506 -43.194 0.794 1.00 0.00 N ATOM 926 CA ALA A 58 17.269 -42.571 -0.516 1.00 0.00 C ATOM 927 C ALA A 58 17.662 -41.082 -0.584 1.00 0.00 C ATOM 928 O ALA A 58 18.412 -40.718 -1.494 1.00 0.00 O ATOM 929 CB ALA A 58 15.812 -42.745 -0.961 1.00 0.00 C ATOM 0 H ALA A 58 16.680 -43.649 1.182 1.00 0.00 H new ATOM 0 HA ALA A 58 17.928 -43.100 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.670 -42.273 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.579 -43.807 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.150 -42.279 -0.231 1.00 0.00 H new ATOM 935 N ASN A 59 17.213 -40.218 0.346 1.00 0.00 N ATOM 936 CA ASN A 59 17.650 -38.815 0.367 1.00 0.00 C ATOM 937 C ASN A 59 19.145 -38.626 0.703 1.00 0.00 C ATOM 938 O ASN A 59 19.761 -37.714 0.145 1.00 0.00 O ATOM 939 CB ASN A 59 16.726 -37.880 1.198 1.00 0.00 C ATOM 940 CG ASN A 59 16.641 -38.234 2.681 1.00 0.00 C ATOM 941 OD1 ASN A 59 17.564 -38.045 3.466 1.00 0.00 O ATOM 942 ND2 ASN A 59 15.499 -38.732 3.109 1.00 0.00 N ATOM 0 H ASN A 59 16.555 -40.466 1.084 1.00 0.00 H new ATOM 0 HA ASN A 59 17.542 -38.491 -0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.085 -36.855 1.101 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.723 -37.908 0.772 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.381 -38.962 4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.733 -38.888 2.454 1.00 0.00 H new ATOM 949 N GLN A 60 19.749 -39.459 1.571 1.00 0.00 N ATOM 950 CA GLN A 60 21.201 -39.431 1.786 1.00 0.00 C ATOM 951 C GLN A 60 21.997 -39.893 0.548 1.00 0.00 C ATOM 952 O GLN A 60 22.904 -39.166 0.135 1.00 0.00 O ATOM 953 CB GLN A 60 21.623 -40.242 3.041 1.00 0.00 C ATOM 954 CG GLN A 60 20.939 -39.826 4.378 1.00 0.00 C ATOM 955 CD GLN A 60 21.075 -38.338 4.709 1.00 0.00 C ATOM 956 OE1 GLN A 60 22.098 -37.879 5.200 1.00 0.00 O ATOM 957 NE2 GLN A 60 20.067 -37.517 4.481 1.00 0.00 N ATOM 0 H GLN A 60 19.254 -40.154 2.130 1.00 0.00 H new ATOM 0 HA GLN A 60 21.451 -38.385 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.410 -41.295 2.858 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.702 -40.151 3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.881 -40.081 4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.369 -40.410 5.192 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.202 -37.872 4.073 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.153 -36.527 4.713 1.00 0.00 H new ATOM 966 N VAL A 61 21.677 -41.039 -0.084 1.00 0.00 N ATOM 967 CA VAL A 61 22.400 -41.507 -1.278 1.00 0.00 C ATOM 968 C VAL A 61 22.199 -40.590 -2.506 1.00 0.00 C ATOM 969 O VAL A 61 23.116 -40.467 -3.325 1.00 0.00 O ATOM 970 CB VAL A 61 22.125 -43.020 -1.575 1.00 0.00 C ATOM 971 CG1 VAL A 61 20.799 -43.328 -2.295 1.00 0.00 C ATOM 972 CG2 VAL A 61 23.289 -43.684 -2.337 1.00 0.00 C ATOM 0 H VAL A 61 20.922 -41.656 0.214 1.00 0.00 H new ATOM 0 HA VAL A 61 23.463 -41.434 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 61 22.035 -43.453 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 61 20.711 -44.403 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 61 19.965 -42.980 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 61 20.782 -42.819 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.053 -44.732 -2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.439 -43.174 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.199 -43.616 -1.742 1.00 0.00 H new ATOM 982 N ARG A 62 21.033 -39.933 -2.660 1.00 0.00 N ATOM 983 CA ARG A 62 20.828 -38.861 -3.646 1.00 0.00 C ATOM 984 C ARG A 62 21.755 -37.647 -3.442 1.00 0.00 C ATOM 985 O ARG A 62 22.269 -37.114 -4.425 1.00 0.00 O ATOM 986 CB ARG A 62 19.337 -38.418 -3.677 1.00 0.00 C ATOM 987 CG ARG A 62 18.495 -38.998 -4.846 1.00 0.00 C ATOM 988 CD ARG A 62 18.341 -40.532 -4.875 1.00 0.00 C ATOM 989 NE ARG A 62 19.097 -41.060 -6.012 1.00 0.00 N ATOM 990 CZ ARG A 62 18.838 -42.157 -6.666 1.00 0.00 C ATOM 991 NH1 ARG A 62 17.788 -42.879 -6.516 1.00 0.00 N ATOM 992 NH2 ARG A 62 19.673 -42.517 -7.562 1.00 0.00 N ATOM 0 H ARG A 62 20.205 -40.134 -2.100 1.00 0.00 H new ATOM 0 HA ARG A 62 21.097 -39.286 -4.613 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.870 -38.708 -2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 62 19.300 -37.330 -3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.500 -38.554 -4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.948 -38.681 -5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 62 18.707 -40.966 -3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.289 -40.804 -4.962 1.00 0.00 H new ATOM 0 HE ARG A 62 19.903 -40.518 -6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.074 -42.607 -5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.667 -43.725 -7.073 1.00 0.00 H new ATOM 0 HH21 ARG A 62 20.503 -41.952 -7.742 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.510 -43.369 -8.098 1.00 0.00 H new ATOM 1006 N ALA A 63 21.985 -37.208 -2.195 1.00 0.00 N ATOM 1007 CA ALA A 63 22.950 -36.151 -1.880 1.00 0.00 C ATOM 1008 C ALA A 63 24.430 -36.580 -2.014 1.00 0.00 C ATOM 1009 O ALA A 63 25.290 -35.738 -2.280 1.00 0.00 O ATOM 1010 CB ALA A 63 22.653 -35.654 -0.451 1.00 0.00 C ATOM 0 H ALA A 63 21.504 -37.579 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 63 22.826 -35.356 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 63 23.357 -34.865 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 63 21.636 -35.264 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 63 22.756 -36.482 0.251 1.00 0.00 H new ATOM 1016 N GLU A 64 24.754 -37.865 -1.800 1.00 0.00 N ATOM 1017 CA GLU A 64 26.107 -38.404 -2.001 1.00 0.00 C ATOM 1018 C GLU A 64 26.514 -38.619 -3.475 1.00 0.00 C ATOM 1019 O GLU A 64 27.708 -38.579 -3.777 1.00 0.00 O ATOM 1020 CB GLU A 64 26.256 -39.737 -1.225 1.00 0.00 C ATOM 1021 CG GLU A 64 26.152 -39.561 0.320 1.00 0.00 C ATOM 1022 CD GLU A 64 26.160 -40.900 1.058 1.00 0.00 C ATOM 1023 OE1 GLU A 64 25.106 -41.528 1.152 1.00 0.00 O ATOM 1024 OE2 GLU A 64 27.220 -41.293 1.539 1.00 0.00 O ATOM 0 H GLU A 64 24.081 -38.562 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 64 26.784 -37.640 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 64 25.485 -40.432 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 64 27.218 -40.187 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 64 26.984 -38.950 0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 64 25.236 -39.021 0.561 1.00 0.00 H new