USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=13 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 -25:sc= 1.35 USER MOD Set 1.2: A 23 TYR OH : rot -30:sc= 1.07 USER MOD Set 2.1: A 12 LYS NZ :NH3+ -178:sc= 1.16 (180deg=0.0115) USER MOD Set 2.2: A 15 TYR OH : rot 15:sc= 1 USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0319) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= 0.165 (180deg=0.0224) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.23) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.885 K(o=0.88,f=-7.7!) USER MOD Single : A 33 THR OG1 : rot -103:sc= 1.19 USER MOD Single : A 42 LYS NZ :NH3+ -156:sc= 0.952 (180deg=0.824) USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 2.49 (180deg=2.44) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= 1.51 (180deg=1.47) USER MOD Single : A 56 TYR OH : rot 15:sc= 0.894 USER MOD Single : A 59 ASN : amide:sc= 1.5 K(o=1.5,f=-9.5!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 17.129 -47.164 -3.863 1.00 0.00 N ATOM 101 CA ILE A 6 17.051 -47.388 -5.326 1.00 0.00 C ATOM 102 C ILE A 6 17.537 -48.810 -5.663 1.00 0.00 C ATOM 103 O ILE A 6 16.946 -49.455 -6.525 1.00 0.00 O ATOM 104 CB ILE A 6 17.838 -46.371 -6.214 1.00 0.00 C ATOM 105 CG1 ILE A 6 17.572 -44.926 -5.774 1.00 0.00 C ATOM 106 CG2 ILE A 6 17.458 -46.518 -7.743 1.00 0.00 C ATOM 107 CD1 ILE A 6 18.734 -44.004 -6.146 1.00 0.00 C ATOM 0 HA ILE A 6 15.998 -47.241 -5.568 1.00 0.00 H new ATOM 0 HB ILE A 6 18.896 -46.600 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 6 16.656 -44.565 -6.241 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.413 -44.896 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.025 -45.795 -8.330 1.00 0.00 H new ATOM 0 HG22 ILE A 6 17.696 -47.526 -8.082 1.00 0.00 H new ATOM 0 HG23 ILE A 6 16.391 -46.334 -7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 6 18.511 -42.988 -5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.645 -44.351 -5.658 1.00 0.00 H new ATOM 0 HD13 ILE A 6 18.875 -44.015 -7.227 1.00 0.00 H new ATOM 119 N GLU A 7 18.584 -49.317 -4.986 1.00 0.00 N ATOM 120 CA GLU A 7 18.975 -50.724 -5.067 1.00 0.00 C ATOM 121 C GLU A 7 17.837 -51.649 -4.596 1.00 0.00 C ATOM 122 O GLU A 7 17.269 -52.303 -5.458 1.00 0.00 O ATOM 123 CB GLU A 7 20.283 -50.952 -4.272 1.00 0.00 C ATOM 124 CG GLU A 7 20.890 -52.381 -4.408 1.00 0.00 C ATOM 125 CD GLU A 7 22.169 -52.535 -3.583 1.00 0.00 C ATOM 126 OE1 GLU A 7 22.073 -52.768 -2.374 1.00 0.00 O ATOM 127 OE2 GLU A 7 23.250 -52.428 -4.151 1.00 0.00 O ATOM 0 H GLU A 7 19.177 -48.759 -4.371 1.00 0.00 H new ATOM 0 HA GLU A 7 19.167 -50.979 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 7 21.024 -50.225 -4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 7 20.090 -50.753 -3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.157 -53.120 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.107 -52.586 -5.456 1.00 0.00 H new ATOM 134 N GLU A 8 17.390 -51.726 -3.335 1.00 0.00 N ATOM 135 CA GLU A 8 16.400 -52.737 -2.923 1.00 0.00 C ATOM 136 C GLU A 8 14.991 -52.576 -3.557 1.00 0.00 C ATOM 137 O GLU A 8 14.221 -53.539 -3.561 1.00 0.00 O ATOM 138 CB GLU A 8 16.403 -52.782 -1.361 1.00 0.00 C ATOM 139 CG GLU A 8 15.440 -53.798 -0.639 1.00 0.00 C ATOM 140 CD GLU A 8 14.109 -53.186 -0.174 1.00 0.00 C ATOM 141 OE1 GLU A 8 14.116 -52.114 0.435 1.00 0.00 O ATOM 142 OE2 GLU A 8 13.052 -53.782 -0.390 1.00 0.00 O ATOM 0 H GLU A 8 17.695 -51.106 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 8 16.698 -53.707 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.420 -53.002 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.162 -51.782 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.229 -54.625 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.955 -54.218 0.225 1.00 0.00 H new ATOM 149 N GLU A 9 14.612 -51.415 -4.120 1.00 0.00 N ATOM 150 CA GLU A 9 13.446 -51.336 -5.009 1.00 0.00 C ATOM 151 C GLU A 9 13.815 -51.680 -6.469 1.00 0.00 C ATOM 152 O GLU A 9 13.384 -52.720 -6.968 1.00 0.00 O ATOM 153 CB GLU A 9 12.749 -49.952 -4.893 1.00 0.00 C ATOM 154 CG GLU A 9 12.389 -49.521 -3.430 1.00 0.00 C ATOM 155 CD GLU A 9 11.423 -50.430 -2.664 1.00 0.00 C ATOM 156 OE1 GLU A 9 10.503 -51.010 -3.236 1.00 0.00 O ATOM 157 OE2 GLU A 9 11.586 -50.540 -1.443 1.00 0.00 O ATOM 0 H GLU A 9 15.093 -50.527 -3.975 1.00 0.00 H new ATOM 0 HA GLU A 9 12.729 -52.090 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.400 -49.195 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.835 -49.969 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.315 -49.449 -2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.959 -48.520 -3.466 1.00 0.00 H new ATOM 164 N ALA A 10 14.586 -50.849 -7.188 1.00 0.00 N ATOM 165 CA ALA A 10 14.970 -51.104 -8.587 1.00 0.00 C ATOM 166 C ALA A 10 16.055 -52.179 -8.873 1.00 0.00 C ATOM 167 O ALA A 10 16.433 -52.334 -10.036 1.00 0.00 O ATOM 168 CB ALA A 10 15.307 -49.742 -9.230 1.00 0.00 C ATOM 0 H ALA A 10 14.962 -49.978 -6.815 1.00 0.00 H new ATOM 0 HA ALA A 10 14.106 -51.583 -9.047 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.597 -49.892 -10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.432 -49.093 -9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.130 -49.277 -8.688 1.00 0.00 H new ATOM 174 N ALA A 11 16.646 -52.910 -7.919 1.00 0.00 N ATOM 175 CA ALA A 11 17.242 -54.231 -8.174 1.00 0.00 C ATOM 176 C ALA A 11 16.176 -55.338 -8.212 1.00 0.00 C ATOM 177 O ALA A 11 16.078 -56.124 -9.157 1.00 0.00 O ATOM 178 CB ALA A 11 18.303 -54.564 -7.093 1.00 0.00 C ATOM 0 H ALA A 11 16.725 -52.604 -6.949 1.00 0.00 H new ATOM 0 HA ALA A 11 17.721 -54.188 -9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.734 -55.544 -7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.090 -53.810 -7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.831 -54.572 -6.110 1.00 0.00 H new ATOM 184 N LYS A 12 15.331 -55.354 -7.176 1.00 0.00 N ATOM 185 CA LYS A 12 14.367 -56.420 -6.942 1.00 0.00 C ATOM 186 C LYS A 12 13.043 -56.113 -7.679 1.00 0.00 C ATOM 187 O LYS A 12 11.990 -55.809 -7.111 1.00 0.00 O ATOM 188 CB LYS A 12 14.236 -56.581 -5.408 1.00 0.00 C ATOM 189 CG LYS A 12 13.633 -57.929 -4.959 1.00 0.00 C ATOM 190 CD LYS A 12 13.662 -58.009 -3.423 1.00 0.00 C ATOM 191 CE LYS A 12 12.981 -59.261 -2.879 1.00 0.00 C ATOM 192 NZ LYS A 12 12.720 -59.026 -1.463 1.00 0.00 N ATOM 0 H LYS A 12 15.301 -54.617 -6.472 1.00 0.00 H new ATOM 0 HA LYS A 12 14.690 -57.377 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.222 -56.470 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.616 -55.772 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.609 -58.022 -5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.199 -58.755 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.697 -57.988 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.173 -57.127 -3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.052 -59.458 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.618 -60.135 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.285 -59.873 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.615 -58.820 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.074 -58.218 -1.359 1.00 0.00 H new ATOM 206 N TYR A 13 13.169 -56.224 -9.011 1.00 0.00 N ATOM 207 CA TYR A 13 12.103 -56.042 -10.008 1.00 0.00 C ATOM 208 C TYR A 13 10.807 -56.872 -9.819 1.00 0.00 C ATOM 209 O TYR A 13 9.860 -56.724 -10.594 1.00 0.00 O ATOM 210 CB TYR A 13 12.733 -56.294 -11.417 1.00 0.00 C ATOM 211 CG TYR A 13 13.269 -55.028 -12.123 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.828 -53.932 -11.472 1.00 0.00 C ATOM 213 CD2 TYR A 13 13.173 -54.939 -13.505 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.245 -52.814 -12.171 1.00 0.00 C ATOM 215 CE2 TYR A 13 13.589 -53.822 -14.204 1.00 0.00 C ATOM 216 CZ TYR A 13 14.116 -52.751 -13.533 1.00 0.00 C ATOM 217 OH TYR A 13 14.449 -51.625 -14.216 1.00 0.00 O ATOM 0 H TYR A 13 14.063 -56.455 -9.443 1.00 0.00 H new ATOM 0 HA TYR A 13 11.740 -55.022 -9.882 1.00 0.00 H new ATOM 0 HB2 TYR A 13 13.550 -57.008 -11.312 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.983 -56.760 -12.057 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.938 -53.955 -10.398 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.759 -55.772 -14.053 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.677 -51.981 -11.637 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.498 -53.794 -15.280 1.00 0.00 H new ATOM 0 HH TYR A 13 14.379 -50.849 -13.622 1.00 0.00 H new ATOM 227 N LYS A 14 10.745 -57.760 -8.815 1.00 0.00 N ATOM 228 CA LYS A 14 9.497 -58.277 -8.246 1.00 0.00 C ATOM 229 C LYS A 14 8.621 -57.145 -7.658 1.00 0.00 C ATOM 230 O LYS A 14 7.392 -57.192 -7.762 1.00 0.00 O ATOM 231 CB LYS A 14 9.874 -59.315 -7.156 1.00 0.00 C ATOM 232 CG LYS A 14 8.672 -60.129 -6.629 1.00 0.00 C ATOM 233 CD LYS A 14 9.117 -61.160 -5.570 1.00 0.00 C ATOM 234 CE LYS A 14 7.959 -61.964 -4.966 1.00 0.00 C ATOM 235 NZ LYS A 14 7.398 -62.849 -5.979 1.00 0.00 N ATOM 0 H LYS A 14 11.578 -58.144 -8.369 1.00 0.00 H new ATOM 0 HA LYS A 14 8.901 -58.745 -9.029 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.616 -60.002 -7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.344 -58.796 -6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.934 -59.454 -6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.186 -60.643 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.828 -61.850 -6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.643 -60.641 -4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.312 -62.546 -4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.190 -61.288 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.658 -63.442 -5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.986 -62.281 -6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.149 -63.457 -6.364 1.00 0.00 H new ATOM 249 N TYR A 15 9.219 -56.091 -7.073 1.00 0.00 N ATOM 250 CA TYR A 15 8.488 -54.909 -6.598 1.00 0.00 C ATOM 251 C TYR A 15 8.178 -53.937 -7.763 1.00 0.00 C ATOM 252 O TYR A 15 8.531 -52.752 -7.759 1.00 0.00 O ATOM 253 CB TYR A 15 9.302 -54.213 -5.464 1.00 0.00 C ATOM 254 CG TYR A 15 9.615 -55.094 -4.239 1.00 0.00 C ATOM 255 CD1 TYR A 15 8.849 -56.187 -3.851 1.00 0.00 C ATOM 256 CD2 TYR A 15 10.730 -54.808 -3.471 1.00 0.00 C ATOM 257 CE1 TYR A 15 9.189 -56.962 -2.761 1.00 0.00 C ATOM 258 CE2 TYR A 15 11.076 -55.576 -2.379 1.00 0.00 C ATOM 259 CZ TYR A 15 10.312 -56.659 -2.031 1.00 0.00 C ATOM 260 OH TYR A 15 10.693 -57.452 -0.991 1.00 0.00 O ATOM 0 H TYR A 15 10.226 -56.038 -6.917 1.00 0.00 H new ATOM 0 HA TYR A 15 7.528 -55.224 -6.189 1.00 0.00 H new ATOM 0 HB2 TYR A 15 10.243 -53.855 -5.882 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.748 -53.336 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.964 -56.436 -4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.346 -53.961 -3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.573 -57.805 -2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 15 11.950 -55.324 -1.797 1.00 0.00 H new ATOM 0 HH TYR A 15 10.217 -58.307 -1.040 1.00 0.00 H new ATOM 270 N ALA A 16 7.430 -54.478 -8.737 1.00 0.00 N ATOM 271 CA ALA A 16 7.197 -53.887 -10.058 1.00 0.00 C ATOM 272 C ALA A 16 6.595 -52.469 -10.051 1.00 0.00 C ATOM 273 O ALA A 16 7.174 -51.554 -10.639 1.00 0.00 O ATOM 274 CB ALA A 16 6.317 -54.868 -10.862 1.00 0.00 C ATOM 0 H ALA A 16 6.954 -55.373 -8.619 1.00 0.00 H new ATOM 0 HA ALA A 16 8.171 -53.743 -10.526 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.125 -54.456 -11.853 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.833 -55.823 -10.960 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.371 -55.018 -10.342 1.00 0.00 H new ATOM 280 N MET A 17 5.473 -52.268 -9.348 1.00 0.00 N ATOM 281 CA MET A 17 4.833 -50.958 -9.193 1.00 0.00 C ATOM 282 C MET A 17 5.675 -49.956 -8.376 1.00 0.00 C ATOM 283 O MET A 17 5.602 -48.747 -8.599 1.00 0.00 O ATOM 284 CB MET A 17 3.441 -51.141 -8.538 1.00 0.00 C ATOM 285 CG MET A 17 2.442 -51.903 -9.438 1.00 0.00 C ATOM 286 SD MET A 17 0.830 -52.133 -8.644 1.00 0.00 S ATOM 287 CE MET A 17 -0.067 -50.687 -9.264 1.00 0.00 C ATOM 0 H MET A 17 4.980 -53.020 -8.866 1.00 0.00 H new ATOM 0 HA MET A 17 4.734 -50.531 -10.191 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.557 -51.679 -7.597 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.029 -50.162 -8.296 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.309 -51.356 -10.372 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.859 -52.877 -9.695 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.080 -50.688 -8.862 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.447 -49.778 -8.951 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.108 -50.724 -10.353 1.00 0.00 H new ATOM 297 N LEU A 18 6.518 -50.456 -7.464 1.00 0.00 N ATOM 298 CA LEU A 18 7.312 -49.633 -6.553 1.00 0.00 C ATOM 299 C LEU A 18 8.648 -49.194 -7.170 1.00 0.00 C ATOM 300 O LEU A 18 9.080 -48.055 -6.961 1.00 0.00 O ATOM 301 CB LEU A 18 7.499 -50.396 -5.219 1.00 0.00 C ATOM 302 CG LEU A 18 6.162 -50.820 -4.556 1.00 0.00 C ATOM 303 CD1 LEU A 18 6.424 -51.690 -3.323 1.00 0.00 C ATOM 304 CD2 LEU A 18 5.307 -49.602 -4.169 1.00 0.00 C ATOM 0 H LEU A 18 6.667 -51.457 -7.339 1.00 0.00 H new ATOM 0 HA LEU A 18 6.773 -48.706 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.104 -51.285 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.056 -49.767 -4.525 1.00 0.00 H new ATOM 0 HG LEU A 18 5.605 -51.401 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.474 -51.977 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.971 -52.585 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.014 -51.127 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.379 -49.941 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.858 -48.981 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.077 -49.020 -5.062 1.00 0.00 H new ATOM 316 N LYS A 19 9.318 -50.053 -7.950 1.00 0.00 N ATOM 317 CA LYS A 19 10.382 -49.579 -8.833 1.00 0.00 C ATOM 318 C LYS A 19 9.832 -48.716 -9.990 1.00 0.00 C ATOM 319 O LYS A 19 10.524 -47.808 -10.443 1.00 0.00 O ATOM 320 CB LYS A 19 11.251 -50.762 -9.342 1.00 0.00 C ATOM 321 CG LYS A 19 10.604 -51.777 -10.321 1.00 0.00 C ATOM 322 CD LYS A 19 10.796 -51.421 -11.812 1.00 0.00 C ATOM 323 CE LYS A 19 10.135 -52.434 -12.735 1.00 0.00 C ATOM 324 NZ LYS A 19 10.508 -52.068 -14.092 1.00 0.00 N ATOM 0 H LYS A 19 9.145 -51.058 -7.986 1.00 0.00 H new ATOM 0 HA LYS A 19 11.031 -48.927 -8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.131 -50.343 -9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.602 -51.316 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.027 -52.765 -10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.537 -51.842 -10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.380 -50.432 -12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.861 -51.368 -12.037 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.468 -53.445 -12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.052 -52.419 -12.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.782 -52.408 -14.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.585 -51.033 -14.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.423 -52.501 -14.329 1.00 0.00 H new ATOM 338 N LYS A 20 8.616 -48.954 -10.511 1.00 0.00 N ATOM 339 CA LYS A 20 7.977 -48.022 -11.445 1.00 0.00 C ATOM 340 C LYS A 20 7.588 -46.684 -10.754 1.00 0.00 C ATOM 341 O LYS A 20 7.460 -45.660 -11.436 1.00 0.00 O ATOM 342 CB LYS A 20 6.751 -48.733 -12.071 1.00 0.00 C ATOM 343 CG LYS A 20 6.199 -48.066 -13.356 1.00 0.00 C ATOM 344 CD LYS A 20 4.654 -47.898 -13.373 1.00 0.00 C ATOM 345 CE LYS A 20 4.069 -46.995 -12.269 1.00 0.00 C ATOM 346 NZ LYS A 20 4.741 -45.703 -12.315 1.00 0.00 N ATOM 0 H LYS A 20 8.060 -49.783 -10.299 1.00 0.00 H new ATOM 0 HA LYS A 20 8.680 -47.750 -12.232 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.025 -49.763 -12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.954 -48.774 -11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.661 -47.085 -13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.498 -48.662 -14.218 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.361 -47.493 -14.342 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.198 -48.885 -13.289 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.996 -46.868 -12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.206 -47.457 -11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.379 -45.096 -11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.765 -45.840 -12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.560 -45.250 -13.234 1.00 0.00 H new ATOM 360 N CYS A 21 7.347 -46.660 -9.428 1.00 0.00 N ATOM 361 CA CYS A 21 7.313 -45.429 -8.625 1.00 0.00 C ATOM 362 C CYS A 21 8.692 -44.723 -8.508 1.00 0.00 C ATOM 363 O CYS A 21 8.745 -43.490 -8.575 1.00 0.00 O ATOM 364 CB CYS A 21 6.731 -45.796 -7.247 1.00 0.00 C ATOM 365 SG CYS A 21 6.195 -44.389 -6.246 1.00 0.00 S ATOM 0 H CYS A 21 7.169 -47.504 -8.883 1.00 0.00 H new ATOM 0 HA CYS A 21 6.683 -44.694 -9.126 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.882 -46.463 -7.394 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.482 -46.355 -6.689 1.00 0.00 H new ATOM 370 N CYS A 22 9.809 -45.470 -8.359 1.00 0.00 N ATOM 371 CA CYS A 22 11.177 -44.972 -8.643 1.00 0.00 C ATOM 372 C CYS A 22 11.244 -44.271 -9.990 1.00 0.00 C ATOM 373 O CYS A 22 11.691 -43.131 -10.097 1.00 0.00 O ATOM 374 CB CYS A 22 12.244 -46.087 -8.470 1.00 0.00 C ATOM 375 SG CYS A 22 13.839 -45.541 -7.790 1.00 0.00 S ATOM 0 H CYS A 22 9.789 -46.438 -8.038 1.00 0.00 H new ATOM 0 HA CYS A 22 11.421 -44.215 -7.898 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.836 -46.859 -7.818 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.421 -46.550 -9.441 1.00 0.00 H new ATOM 380 N TYR A 23 10.746 -44.929 -11.017 1.00 0.00 N ATOM 381 CA TYR A 23 10.827 -44.372 -12.350 1.00 0.00 C ATOM 382 C TYR A 23 9.825 -43.214 -12.617 1.00 0.00 C ATOM 383 O TYR A 23 10.098 -42.375 -13.479 1.00 0.00 O ATOM 384 CB TYR A 23 10.880 -45.561 -13.296 1.00 0.00 C ATOM 385 CG TYR A 23 12.015 -46.580 -12.957 1.00 0.00 C ATOM 386 CD1 TYR A 23 13.055 -46.470 -11.993 1.00 0.00 C ATOM 387 CD2 TYR A 23 12.032 -47.702 -13.766 1.00 0.00 C ATOM 388 CE1 TYR A 23 14.050 -47.436 -11.941 1.00 0.00 C ATOM 389 CE2 TYR A 23 13.019 -48.658 -13.694 1.00 0.00 C ATOM 390 CZ TYR A 23 14.033 -48.523 -12.789 1.00 0.00 C ATOM 391 OH TYR A 23 14.998 -49.485 -12.749 1.00 0.00 O ATOM 0 H TYR A 23 10.287 -45.838 -10.956 1.00 0.00 H new ATOM 0 HA TYR A 23 11.736 -43.796 -12.524 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.920 -46.077 -13.271 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.021 -45.199 -14.314 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.070 -45.638 -11.304 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.237 -47.833 -14.485 1.00 0.00 H new ATOM 0 HE1 TYR A 23 14.851 -47.335 -11.224 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.992 -49.514 -14.352 1.00 0.00 H new ATOM 0 HH TYR A 23 15.844 -49.088 -12.454 1.00 0.00 H new ATOM 401 N ASP A 24 8.702 -43.104 -11.871 1.00 0.00 N ATOM 402 CA ASP A 24 7.969 -41.831 -11.692 1.00 0.00 C ATOM 403 C ASP A 24 8.833 -40.709 -11.088 1.00 0.00 C ATOM 404 O ASP A 24 8.718 -39.559 -11.512 1.00 0.00 O ATOM 405 CB ASP A 24 6.698 -41.970 -10.805 1.00 0.00 C ATOM 406 CG ASP A 24 5.597 -42.822 -11.422 1.00 0.00 C ATOM 407 OD1 ASP A 24 5.354 -42.747 -12.626 1.00 0.00 O ATOM 408 OD2 ASP A 24 4.967 -43.579 -10.683 1.00 0.00 O ATOM 0 H ASP A 24 8.281 -43.892 -11.379 1.00 0.00 H new ATOM 0 HA ASP A 24 7.679 -41.564 -12.708 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.983 -42.403 -9.846 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.301 -40.976 -10.600 1.00 0.00 H new ATOM 413 N GLY A 25 9.656 -41.027 -10.079 1.00 0.00 N ATOM 414 CA GLY A 25 10.685 -40.110 -9.570 1.00 0.00 C ATOM 415 C GLY A 25 11.737 -39.706 -10.608 1.00 0.00 C ATOM 416 O GLY A 25 12.010 -38.514 -10.755 1.00 0.00 O ATOM 0 H GLY A 25 9.627 -41.924 -9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.199 -39.210 -9.193 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.187 -40.579 -8.724 1.00 0.00 H new ATOM 420 N ALA A 26 12.314 -40.689 -11.315 1.00 0.00 N ATOM 421 CA ALA A 26 13.280 -40.459 -12.398 1.00 0.00 C ATOM 422 C ALA A 26 12.743 -39.565 -13.536 1.00 0.00 C ATOM 423 O ALA A 26 13.489 -38.736 -14.066 1.00 0.00 O ATOM 424 CB ALA A 26 13.777 -41.806 -12.954 1.00 0.00 C ATOM 0 H ALA A 26 12.120 -41.677 -11.149 1.00 0.00 H new ATOM 0 HA ALA A 26 14.111 -39.908 -11.958 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.493 -41.627 -13.756 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.259 -42.373 -12.158 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.931 -42.374 -13.342 1.00 0.00 H new ATOM 430 N TYR A 27 11.468 -39.704 -13.933 1.00 0.00 N ATOM 431 CA TYR A 27 10.800 -38.693 -14.762 1.00 0.00 C ATOM 432 C TYR A 27 10.489 -37.400 -13.965 1.00 0.00 C ATOM 433 O TYR A 27 9.385 -37.185 -13.451 1.00 0.00 O ATOM 434 CB TYR A 27 9.531 -39.294 -15.428 1.00 0.00 C ATOM 435 CG TYR A 27 9.899 -40.212 -16.604 1.00 0.00 C ATOM 436 CD1 TYR A 27 10.032 -39.710 -17.888 1.00 0.00 C ATOM 437 CD2 TYR A 27 10.104 -41.569 -16.430 1.00 0.00 C ATOM 438 CE1 TYR A 27 10.356 -40.529 -18.952 1.00 0.00 C ATOM 439 CE2 TYR A 27 10.429 -42.397 -17.487 1.00 0.00 C ATOM 440 CZ TYR A 27 10.554 -41.871 -18.751 1.00 0.00 C ATOM 441 OH TYR A 27 10.871 -42.664 -19.806 1.00 0.00 O ATOM 0 H TYR A 27 10.883 -40.504 -13.693 1.00 0.00 H new ATOM 0 HA TYR A 27 11.486 -38.398 -15.556 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.962 -39.857 -14.689 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.887 -38.489 -15.780 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.879 -38.655 -18.061 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.007 -41.992 -15.441 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.454 -40.112 -19.943 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.584 -43.453 -17.321 1.00 0.00 H new ATOM 0 HH TYR A 27 10.980 -43.588 -19.499 1.00 0.00 H new ATOM 451 N ARG A 28 11.514 -36.549 -13.810 1.00 0.00 N ATOM 452 CA ARG A 28 11.382 -35.224 -13.192 1.00 0.00 C ATOM 453 C ARG A 28 10.464 -34.227 -13.944 1.00 0.00 C ATOM 454 O ARG A 28 10.679 -33.892 -15.111 1.00 0.00 O ATOM 455 CB ARG A 28 12.816 -34.650 -13.028 1.00 0.00 C ATOM 456 CG ARG A 28 12.968 -33.272 -12.331 1.00 0.00 C ATOM 457 CD ARG A 28 12.355 -33.218 -10.929 1.00 0.00 C ATOM 458 NE ARG A 28 12.928 -32.078 -10.219 1.00 0.00 N ATOM 459 CZ ARG A 28 12.265 -31.165 -9.577 1.00 0.00 C ATOM 460 NH1 ARG A 28 11.037 -30.863 -9.768 1.00 0.00 N ATOM 461 NH2 ARG A 28 12.932 -30.467 -8.750 1.00 0.00 N ATOM 0 H ARG A 28 12.464 -36.764 -14.113 1.00 0.00 H new ATOM 0 HA ARG A 28 10.879 -35.356 -12.234 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.405 -35.376 -12.467 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.262 -34.575 -14.020 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.027 -33.024 -12.264 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.500 -32.508 -12.952 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.271 -33.119 -10.992 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.560 -34.143 -10.390 1.00 0.00 H new ATOM 0 HE ARG A 28 13.944 -31.991 -10.228 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.494 -31.357 -10.476 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.600 -30.128 -9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.929 -30.641 -8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.470 -29.733 -8.213 1.00 0.00 H new ATOM 475 N ASN A 29 9.395 -33.777 -13.267 1.00 0.00 N ATOM 476 CA ASN A 29 8.626 -32.602 -13.689 1.00 0.00 C ATOM 477 C ASN A 29 9.301 -31.279 -13.252 1.00 0.00 C ATOM 478 O ASN A 29 9.487 -31.009 -12.060 1.00 0.00 O ATOM 479 CB ASN A 29 7.183 -32.662 -13.121 1.00 0.00 C ATOM 480 CG ASN A 29 6.371 -33.825 -13.683 1.00 0.00 C ATOM 481 OD1 ASN A 29 6.058 -34.778 -12.979 1.00 0.00 O ATOM 482 ND2 ASN A 29 5.987 -33.806 -14.944 1.00 0.00 N ATOM 0 H ASN A 29 9.043 -34.217 -12.417 1.00 0.00 H new ATOM 0 HA ASN A 29 8.590 -32.619 -14.778 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.229 -32.749 -12.035 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.671 -31.726 -13.345 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.437 -34.578 -15.321 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.240 -33.020 -15.542 1.00 0.00 H new ATOM 489 N ASP A 30 9.671 -30.445 -14.233 1.00 0.00 N ATOM 490 CA ASP A 30 10.316 -29.135 -14.057 1.00 0.00 C ATOM 491 C ASP A 30 9.428 -28.029 -13.429 1.00 0.00 C ATOM 492 O ASP A 30 9.301 -26.916 -13.949 1.00 0.00 O ATOM 493 CB ASP A 30 10.842 -28.696 -15.458 1.00 0.00 C ATOM 494 CG ASP A 30 11.993 -29.570 -15.933 1.00 0.00 C ATOM 495 OD1 ASP A 30 11.768 -30.685 -16.401 1.00 0.00 O ATOM 496 OD2 ASP A 30 13.139 -29.144 -15.824 1.00 0.00 O ATOM 0 H ASP A 30 9.523 -30.675 -15.216 1.00 0.00 H new ATOM 0 HA ASP A 30 11.117 -29.258 -13.328 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.028 -28.743 -16.182 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.170 -27.657 -15.413 1.00 0.00 H new ATOM 501 N ASP A 31 8.828 -28.325 -12.272 1.00 0.00 N ATOM 502 CA ASP A 31 7.921 -27.403 -11.577 1.00 0.00 C ATOM 503 C ASP A 31 7.993 -27.479 -10.035 1.00 0.00 C ATOM 504 O ASP A 31 8.521 -26.564 -9.404 1.00 0.00 O ATOM 505 CB ASP A 31 6.464 -27.565 -12.146 1.00 0.00 C ATOM 506 CG ASP A 31 6.056 -29.025 -12.354 1.00 0.00 C ATOM 507 OD1 ASP A 31 5.886 -29.733 -11.362 1.00 0.00 O ATOM 508 OD2 ASP A 31 5.944 -29.445 -13.502 1.00 0.00 O ATOM 0 H ASP A 31 8.957 -29.214 -11.788 1.00 0.00 H new ATOM 0 HA ASP A 31 8.262 -26.389 -11.788 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.759 -27.092 -11.462 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.391 -27.035 -13.096 1.00 0.00 H new ATOM 513 N GLU A 32 7.423 -28.522 -9.417 1.00 0.00 N ATOM 514 CA GLU A 32 7.446 -28.759 -7.969 1.00 0.00 C ATOM 515 C GLU A 32 8.803 -29.222 -7.384 1.00 0.00 C ATOM 516 O GLU A 32 9.816 -29.340 -8.084 1.00 0.00 O ATOM 517 CB GLU A 32 6.367 -29.836 -7.690 1.00 0.00 C ATOM 518 CG GLU A 32 4.920 -29.341 -7.974 1.00 0.00 C ATOM 519 CD GLU A 32 3.907 -30.469 -7.807 1.00 0.00 C ATOM 520 OE1 GLU A 32 3.782 -31.309 -8.698 1.00 0.00 O ATOM 521 OE2 GLU A 32 3.227 -30.526 -6.784 1.00 0.00 O ATOM 0 H GLU A 32 6.918 -29.246 -9.928 1.00 0.00 H new ATOM 0 HA GLU A 32 7.257 -27.805 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.571 -30.713 -8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.438 -30.152 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.673 -28.524 -7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.861 -28.943 -8.987 1.00 0.00 H new ATOM 528 N THR A 33 8.853 -29.473 -6.067 1.00 0.00 N ATOM 529 CA THR A 33 9.904 -30.328 -5.486 1.00 0.00 C ATOM 530 C THR A 33 9.413 -31.778 -5.272 1.00 0.00 C ATOM 531 O THR A 33 8.210 -32.046 -5.165 1.00 0.00 O ATOM 532 CB THR A 33 10.572 -29.718 -4.224 1.00 0.00 C ATOM 533 OG1 THR A 33 11.656 -30.544 -3.822 1.00 0.00 O ATOM 534 CG2 THR A 33 9.684 -29.546 -2.995 1.00 0.00 C ATOM 0 H THR A 33 8.187 -29.102 -5.389 1.00 0.00 H new ATOM 0 HA THR A 33 10.702 -30.374 -6.227 1.00 0.00 H new ATOM 0 HB THR A 33 10.862 -28.717 -4.544 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.388 -31.081 -3.047 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.267 -29.112 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.851 -28.886 -3.237 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.299 -30.518 -2.686 1.00 0.00 H new ATOM 542 N CYS A 34 10.367 -32.713 -5.170 1.00 0.00 N ATOM 543 CA CYS A 34 10.144 -34.164 -5.232 1.00 0.00 C ATOM 544 C CYS A 34 9.158 -34.722 -4.191 1.00 0.00 C ATOM 545 O CYS A 34 8.208 -35.431 -4.523 1.00 0.00 O ATOM 546 CB CYS A 34 11.505 -34.876 -5.044 1.00 0.00 C ATOM 547 SG CYS A 34 12.700 -34.596 -6.372 1.00 0.00 S ATOM 0 H CYS A 34 11.349 -32.472 -5.037 1.00 0.00 H new ATOM 0 HA CYS A 34 9.692 -34.355 -6.205 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.945 -34.545 -4.103 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.329 -35.948 -4.954 1.00 0.00 H new ATOM 552 N GLU A 35 9.396 -34.363 -2.929 1.00 0.00 N ATOM 553 CA GLU A 35 8.585 -34.785 -1.783 1.00 0.00 C ATOM 554 C GLU A 35 7.226 -34.064 -1.677 1.00 0.00 C ATOM 555 O GLU A 35 6.342 -34.527 -0.963 1.00 0.00 O ATOM 556 CB GLU A 35 9.398 -34.726 -0.448 1.00 0.00 C ATOM 557 CG GLU A 35 10.173 -33.407 -0.094 1.00 0.00 C ATOM 558 CD GLU A 35 11.429 -33.194 -0.946 1.00 0.00 C ATOM 559 OE1 GLU A 35 12.478 -33.773 -0.647 1.00 0.00 O ATOM 560 OE2 GLU A 35 11.332 -32.491 -1.954 1.00 0.00 O ATOM 0 H GLU A 35 10.174 -33.758 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 35 8.333 -35.829 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.707 -34.932 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.123 -35.540 -0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.505 -32.555 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.456 -33.432 0.958 1.00 0.00 H new ATOM 567 N GLU A 36 7.037 -32.942 -2.380 1.00 0.00 N ATOM 568 CA GLU A 36 5.741 -32.278 -2.563 1.00 0.00 C ATOM 569 C GLU A 36 4.899 -32.997 -3.642 1.00 0.00 C ATOM 570 O GLU A 36 3.741 -33.376 -3.411 1.00 0.00 O ATOM 571 CB GLU A 36 6.090 -30.820 -2.932 1.00 0.00 C ATOM 572 CG GLU A 36 4.942 -29.871 -3.388 1.00 0.00 C ATOM 573 CD GLU A 36 5.487 -28.509 -3.843 1.00 0.00 C ATOM 574 OE1 GLU A 36 6.499 -28.465 -4.554 1.00 0.00 O ATOM 575 OE2 GLU A 36 4.892 -27.502 -3.478 1.00 0.00 O ATOM 0 H GLU A 36 7.802 -32.457 -2.850 1.00 0.00 H new ATOM 0 HA GLU A 36 5.119 -32.308 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.571 -30.365 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.832 -30.849 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.388 -30.334 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.239 -29.727 -2.567 1.00 0.00 H new ATOM 582 N ARG A 37 5.538 -33.225 -4.806 1.00 0.00 N ATOM 583 CA ARG A 37 5.003 -34.063 -5.881 1.00 0.00 C ATOM 584 C ARG A 37 4.637 -35.468 -5.353 1.00 0.00 C ATOM 585 O ARG A 37 3.526 -35.948 -5.584 1.00 0.00 O ATOM 586 CB ARG A 37 6.060 -34.098 -7.032 1.00 0.00 C ATOM 587 CG ARG A 37 5.581 -34.787 -8.335 1.00 0.00 C ATOM 588 CD ARG A 37 6.465 -34.521 -9.577 1.00 0.00 C ATOM 589 NE ARG A 37 7.762 -35.199 -9.463 1.00 0.00 N ATOM 590 CZ ARG A 37 8.362 -35.884 -10.405 1.00 0.00 C ATOM 591 NH1 ARG A 37 7.941 -36.035 -11.606 1.00 0.00 N ATOM 592 NH2 ARG A 37 9.469 -36.456 -10.134 1.00 0.00 N ATOM 0 H ARG A 37 6.451 -32.825 -5.022 1.00 0.00 H new ATOM 0 HA ARG A 37 4.074 -33.648 -6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.355 -33.075 -7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.951 -34.613 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.535 -35.862 -8.164 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.566 -34.455 -8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.950 -34.866 -10.474 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.622 -33.448 -9.692 1.00 0.00 H new ATOM 0 HE ARG A 37 8.242 -35.130 -8.565 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.065 -35.601 -11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.482 -36.589 -12.270 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.870 -36.375 -9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.954 -36.995 -10.852 1.00 0.00 H new ATOM 606 N ALA A 38 5.527 -36.118 -4.590 1.00 0.00 N ATOM 607 CA ALA A 38 5.217 -37.381 -3.925 1.00 0.00 C ATOM 608 C ALA A 38 4.571 -37.313 -2.518 1.00 0.00 C ATOM 609 O ALA A 38 4.354 -38.355 -1.900 1.00 0.00 O ATOM 610 CB ALA A 38 6.428 -38.287 -4.037 1.00 0.00 C ATOM 0 H ALA A 38 6.475 -35.782 -4.420 1.00 0.00 H new ATOM 0 HA ALA A 38 4.376 -37.821 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.218 -39.237 -3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.654 -38.464 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.283 -37.812 -3.557 1.00 0.00 H new ATOM 616 N ALA A 39 4.262 -36.143 -1.940 1.00 0.00 N ATOM 617 CA ALA A 39 3.146 -36.018 -0.994 1.00 0.00 C ATOM 618 C ALA A 39 1.779 -36.211 -1.681 1.00 0.00 C ATOM 619 O ALA A 39 0.818 -36.644 -1.036 1.00 0.00 O ATOM 620 CB ALA A 39 3.200 -34.653 -0.281 1.00 0.00 C ATOM 0 H ALA A 39 4.768 -35.274 -2.111 1.00 0.00 H new ATOM 0 HA ALA A 39 3.254 -36.813 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.367 -34.574 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.140 -34.564 0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.132 -33.854 -1.019 1.00 0.00 H new ATOM 626 N ARG A 40 1.663 -35.837 -2.966 1.00 0.00 N ATOM 627 CA ARG A 40 0.518 -36.234 -3.799 1.00 0.00 C ATOM 628 C ARG A 40 0.561 -37.713 -4.270 1.00 0.00 C ATOM 629 O ARG A 40 -0.480 -38.375 -4.257 1.00 0.00 O ATOM 630 CB ARG A 40 0.407 -35.223 -4.961 1.00 0.00 C ATOM 631 CG ARG A 40 -0.791 -35.432 -5.921 1.00 0.00 C ATOM 632 CD ARG A 40 -0.989 -34.276 -6.920 1.00 0.00 C ATOM 633 NE ARG A 40 0.160 -34.164 -7.826 1.00 0.00 N ATOM 634 CZ ARG A 40 1.076 -33.233 -7.809 1.00 0.00 C ATOM 635 NH1 ARG A 40 1.215 -32.377 -6.864 1.00 0.00 N ATOM 636 NH2 ARG A 40 1.912 -33.205 -8.770 1.00 0.00 N ATOM 0 H ARG A 40 2.350 -35.259 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.389 -36.200 -3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.341 -34.220 -4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.327 -35.264 -5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.644 -36.359 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.701 -35.553 -5.333 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.898 -34.441 -7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.122 -33.340 -6.377 1.00 0.00 H new ATOM 0 HE ARG A 40 0.253 -34.886 -8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.587 -32.398 -6.061 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.954 -31.676 -6.916 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.852 -33.895 -9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.641 -32.492 -8.791 1.00 0.00 H new ATOM 650 N ILE A 41 1.696 -38.265 -4.738 1.00 0.00 N ATOM 651 CA ILE A 41 1.907 -39.712 -4.922 1.00 0.00 C ATOM 652 C ILE A 41 1.939 -40.504 -3.589 1.00 0.00 C ATOM 653 O ILE A 41 2.932 -40.862 -2.955 1.00 0.00 O ATOM 654 CB ILE A 41 3.050 -40.073 -5.923 1.00 0.00 C ATOM 655 CG1 ILE A 41 2.758 -39.508 -7.331 1.00 0.00 C ATOM 656 CG2 ILE A 41 3.252 -41.556 -6.076 1.00 0.00 C ATOM 657 CD1 ILE A 41 3.656 -38.320 -7.535 1.00 0.00 C ATOM 0 H ILE A 41 2.507 -37.707 -5.004 1.00 0.00 H new ATOM 0 HA ILE A 41 1.009 -40.066 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 41 3.950 -39.628 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.943 -40.264 -8.094 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.711 -39.217 -7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.059 -41.742 -6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.510 -41.990 -5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.333 -42.012 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.477 -37.894 -8.522 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.446 -37.570 -6.772 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.697 -38.634 -7.459 1.00 0.00 H new ATOM 669 N LYS A 42 0.682 -40.793 -3.286 1.00 0.00 N ATOM 670 CA LYS A 42 0.185 -41.326 -2.015 1.00 0.00 C ATOM 671 C LYS A 42 0.248 -42.864 -1.860 1.00 0.00 C ATOM 672 O LYS A 42 -0.025 -43.378 -0.774 1.00 0.00 O ATOM 673 CB LYS A 42 -1.293 -40.834 -1.898 1.00 0.00 C ATOM 674 CG LYS A 42 -1.800 -40.643 -0.442 1.00 0.00 C ATOM 675 CD LYS A 42 -1.304 -39.332 0.213 1.00 0.00 C ATOM 676 CE LYS A 42 -2.104 -38.104 -0.234 1.00 0.00 C ATOM 677 NZ LYS A 42 -1.363 -36.926 0.192 1.00 0.00 N ATOM 0 H LYS A 42 -0.070 -40.655 -3.961 1.00 0.00 H new ATOM 0 HA LYS A 42 0.836 -40.964 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.390 -39.887 -2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.941 -41.550 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.890 -40.652 -0.440 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.473 -41.489 0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.368 -39.426 1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.252 -39.184 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.236 -38.104 -1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.100 -38.112 0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.015 -36.121 0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.911 -37.113 1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.633 -36.701 -0.514 1.00 0.00 H new ATOM 691 N ILE A 43 0.649 -43.603 -2.907 1.00 0.00 N ATOM 692 CA ILE A 43 0.419 -45.053 -3.053 1.00 0.00 C ATOM 693 C ILE A 43 1.033 -45.925 -1.931 1.00 0.00 C ATOM 694 O ILE A 43 0.389 -46.880 -1.489 1.00 0.00 O ATOM 695 CB ILE A 43 0.858 -45.493 -4.498 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.016 -44.748 -5.580 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.746 -47.028 -4.726 1.00 0.00 C ATOM 698 CD1 ILE A 43 0.610 -44.803 -7.007 1.00 0.00 C ATOM 0 H ILE A 43 1.155 -43.200 -3.696 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.649 -45.233 -2.931 1.00 0.00 H new ATOM 0 HB ILE A 43 1.910 -45.222 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.986 -45.177 -5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.090 -43.704 -5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.063 -47.269 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.385 -47.549 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.288 -47.342 -4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.040 -44.260 -7.693 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.600 -44.346 -7.007 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.690 -45.842 -7.328 1.00 0.00 H new ATOM 710 N GLY A 44 2.242 -45.624 -1.431 1.00 0.00 N ATOM 711 CA GLY A 44 2.807 -46.346 -0.281 1.00 0.00 C ATOM 712 C GLY A 44 4.166 -45.832 0.240 1.00 0.00 C ATOM 713 O GLY A 44 4.830 -45.087 -0.490 1.00 0.00 O ATOM 0 H GLY A 44 2.844 -44.889 -1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.088 -46.305 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.919 -47.395 -0.555 1.00 0.00 H new ATOM 717 N PRO A 45 4.646 -46.210 1.455 1.00 0.00 N ATOM 718 CA PRO A 45 5.932 -45.754 2.022 1.00 0.00 C ATOM 719 C PRO A 45 7.182 -46.128 1.196 1.00 0.00 C ATOM 720 O PRO A 45 8.044 -45.279 0.954 1.00 0.00 O ATOM 721 CB PRO A 45 5.939 -46.324 3.453 1.00 0.00 C ATOM 722 CG PRO A 45 5.021 -47.530 3.374 1.00 0.00 C ATOM 723 CD PRO A 45 3.930 -47.068 2.409 1.00 0.00 C ATOM 0 HA PRO A 45 5.999 -44.666 2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.944 -46.608 3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.576 -45.593 4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.543 -48.411 3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.612 -47.791 4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.454 -47.912 1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.143 -46.520 2.927 1.00 0.00 H new ATOM 731 N LYS A 46 7.253 -47.386 0.733 1.00 0.00 N ATOM 732 CA LYS A 46 8.249 -47.854 -0.233 1.00 0.00 C ATOM 733 C LYS A 46 8.199 -47.107 -1.581 1.00 0.00 C ATOM 734 O LYS A 46 9.247 -46.911 -2.199 1.00 0.00 O ATOM 735 CB LYS A 46 8.067 -49.380 -0.445 1.00 0.00 C ATOM 736 CG LYS A 46 8.790 -50.240 0.614 1.00 0.00 C ATOM 737 CD LYS A 46 8.499 -51.752 0.430 1.00 0.00 C ATOM 738 CE LYS A 46 9.681 -52.659 0.810 1.00 0.00 C ATOM 739 NZ LYS A 46 10.579 -52.740 -0.340 1.00 0.00 N ATOM 0 H LYS A 46 6.606 -48.117 1.028 1.00 0.00 H new ATOM 0 HA LYS A 46 9.233 -47.641 0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.003 -49.617 -0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.438 -49.648 -1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.864 -50.067 0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.476 -49.929 1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.635 -52.023 1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.230 -51.937 -0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.207 -52.256 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.326 -53.652 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.413 -53.308 -0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.083 -53.187 -1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.881 -51.783 -0.613 1.00 0.00 H new ATOM 753 N CYS A 47 7.001 -46.668 -2.006 1.00 0.00 N ATOM 754 CA CYS A 47 6.799 -45.853 -3.206 1.00 0.00 C ATOM 755 C CYS A 47 7.397 -44.448 -2.998 1.00 0.00 C ATOM 756 O CYS A 47 8.300 -44.107 -3.761 1.00 0.00 O ATOM 757 CB CYS A 47 5.281 -45.801 -3.535 1.00 0.00 C ATOM 758 SG CYS A 47 4.692 -45.114 -5.111 1.00 0.00 S ATOM 0 H CYS A 47 6.133 -46.876 -1.512 1.00 0.00 H new ATOM 0 HA CYS A 47 7.315 -46.298 -4.057 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.904 -46.822 -3.470 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.800 -45.233 -2.739 1.00 0.00 H new ATOM 763 N VAL A 48 6.964 -43.637 -2.005 1.00 0.00 N ATOM 764 CA VAL A 48 7.614 -42.364 -1.654 1.00 0.00 C ATOM 765 C VAL A 48 9.146 -42.429 -1.522 1.00 0.00 C ATOM 766 O VAL A 48 9.835 -41.555 -2.053 1.00 0.00 O ATOM 767 CB VAL A 48 7.073 -41.724 -0.329 1.00 0.00 C ATOM 768 CG1 VAL A 48 6.850 -40.256 -0.580 1.00 0.00 C ATOM 769 CG2 VAL A 48 5.761 -42.255 0.222 1.00 0.00 C ATOM 0 H VAL A 48 6.152 -43.852 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 48 7.355 -41.745 -2.513 1.00 0.00 H new ATOM 0 HB VAL A 48 7.834 -41.972 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.473 -39.785 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.792 -39.789 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.124 -40.130 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.509 -41.722 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.970 -42.105 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.860 -43.319 0.436 1.00 0.00 H new ATOM 779 N LYS A 49 9.672 -43.444 -0.816 1.00 0.00 N ATOM 780 CA LYS A 49 11.125 -43.673 -0.732 1.00 0.00 C ATOM 781 C LYS A 49 11.801 -43.940 -2.097 1.00 0.00 C ATOM 782 O LYS A 49 12.738 -43.211 -2.436 1.00 0.00 O ATOM 783 CB LYS A 49 11.458 -44.776 0.300 1.00 0.00 C ATOM 784 CG LYS A 49 11.159 -44.314 1.744 1.00 0.00 C ATOM 785 CD LYS A 49 11.479 -45.408 2.775 1.00 0.00 C ATOM 786 CE LYS A 49 11.156 -44.938 4.190 1.00 0.00 C ATOM 787 NZ LYS A 49 11.487 -46.023 5.103 1.00 0.00 N ATOM 0 H LYS A 49 9.113 -44.119 -0.295 1.00 0.00 H new ATOM 0 HA LYS A 49 11.554 -42.734 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.878 -45.671 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.510 -45.049 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.744 -43.422 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.109 -44.035 1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.906 -46.306 2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.533 -45.677 2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.728 -44.043 4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.102 -44.675 4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.277 -45.732 6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.922 -46.863 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.498 -46.250 5.020 1.00 0.00 H new ATOM 801 N ALA A 50 11.324 -44.917 -2.897 1.00 0.00 N ATOM 802 CA ALA A 50 11.769 -45.148 -4.285 1.00 0.00 C ATOM 803 C ALA A 50 11.713 -43.843 -5.113 1.00 0.00 C ATOM 804 O ALA A 50 12.727 -43.421 -5.678 1.00 0.00 O ATOM 805 CB ALA A 50 10.834 -46.222 -4.900 1.00 0.00 C ATOM 0 H ALA A 50 10.608 -45.576 -2.591 1.00 0.00 H new ATOM 0 HA ALA A 50 12.805 -45.487 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.134 -46.419 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.905 -47.142 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.806 -45.861 -4.885 1.00 0.00 H new ATOM 811 N PHE A 51 10.548 -43.170 -5.072 1.00 0.00 N ATOM 812 CA PHE A 51 10.289 -41.897 -5.748 1.00 0.00 C ATOM 813 C PHE A 51 11.313 -40.819 -5.357 1.00 0.00 C ATOM 814 O PHE A 51 12.024 -40.343 -6.241 1.00 0.00 O ATOM 815 CB PHE A 51 8.852 -41.434 -5.365 1.00 0.00 C ATOM 816 CG PHE A 51 8.248 -40.409 -6.333 1.00 0.00 C ATOM 817 CD1 PHE A 51 8.772 -39.140 -6.520 1.00 0.00 C ATOM 818 CD2 PHE A 51 7.148 -40.745 -7.095 1.00 0.00 C ATOM 819 CE1 PHE A 51 8.247 -38.266 -7.447 1.00 0.00 C ATOM 820 CE2 PHE A 51 6.619 -39.887 -8.018 1.00 0.00 C ATOM 821 CZ PHE A 51 7.172 -38.643 -8.213 1.00 0.00 C ATOM 0 H PHE A 51 9.741 -43.512 -4.551 1.00 0.00 H new ATOM 0 HA PHE A 51 10.378 -42.042 -6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.200 -42.306 -5.322 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.875 -41.003 -4.364 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.616 -38.827 -5.922 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.692 -41.714 -6.958 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.681 -37.285 -7.571 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.760 -40.188 -8.599 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.767 -37.973 -8.957 1.00 0.00 H new ATOM 831 N LYS A 52 11.413 -40.454 -4.066 1.00 0.00 N ATOM 832 CA LYS A 52 12.315 -39.403 -3.588 1.00 0.00 C ATOM 833 C LYS A 52 13.796 -39.696 -3.890 1.00 0.00 C ATOM 834 O LYS A 52 14.514 -38.779 -4.303 1.00 0.00 O ATOM 835 CB LYS A 52 12.050 -39.158 -2.075 1.00 0.00 C ATOM 836 CG LYS A 52 13.002 -38.148 -1.388 1.00 0.00 C ATOM 837 CD LYS A 52 12.481 -37.708 -0.003 1.00 0.00 C ATOM 838 CE LYS A 52 13.500 -36.950 0.863 1.00 0.00 C ATOM 839 NZ LYS A 52 14.000 -35.761 0.182 1.00 0.00 N ATOM 0 H LYS A 52 10.864 -40.887 -3.323 1.00 0.00 H new ATOM 0 HA LYS A 52 12.100 -38.487 -4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.026 -38.805 -1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.121 -40.112 -1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.989 -38.598 -1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.121 -37.272 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.605 -37.075 -0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.150 -38.592 0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.035 -36.662 1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.334 -37.609 1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.854 -35.417 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.232 -35.997 -0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.271 -35.020 0.198 1.00 0.00 H new ATOM 853 N ASP A 53 14.259 -40.952 -3.758 1.00 0.00 N ATOM 854 CA ASP A 53 15.655 -41.277 -4.049 1.00 0.00 C ATOM 855 C ASP A 53 16.002 -41.221 -5.554 1.00 0.00 C ATOM 856 O ASP A 53 16.989 -40.565 -5.923 1.00 0.00 O ATOM 857 CB ASP A 53 16.010 -42.618 -3.363 1.00 0.00 C ATOM 858 CG ASP A 53 15.962 -42.504 -1.838 1.00 0.00 C ATOM 859 OD1 ASP A 53 16.463 -41.514 -1.294 1.00 0.00 O ATOM 860 OD2 ASP A 53 15.489 -43.430 -1.191 1.00 0.00 O ATOM 0 H ASP A 53 13.692 -41.744 -3.456 1.00 0.00 H new ATOM 0 HA ASP A 53 16.293 -40.501 -3.626 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.315 -43.390 -3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.006 -42.933 -3.673 1.00 0.00 H new ATOM 865 N CYS A 54 15.196 -41.854 -6.425 1.00 0.00 N ATOM 866 CA CYS A 54 15.300 -41.655 -7.877 1.00 0.00 C ATOM 867 C CYS A 54 15.106 -40.186 -8.331 1.00 0.00 C ATOM 868 O CYS A 54 15.815 -39.747 -9.240 1.00 0.00 O ATOM 869 CB CYS A 54 14.286 -42.564 -8.604 1.00 0.00 C ATOM 870 SG CYS A 54 14.796 -44.255 -9.028 1.00 0.00 S ATOM 0 H CYS A 54 14.465 -42.508 -6.145 1.00 0.00 H new ATOM 0 HA CYS A 54 16.322 -41.923 -8.146 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.394 -42.632 -7.981 1.00 0.00 H new ATOM 0 HB3 CYS A 54 13.993 -42.064 -9.527 1.00 0.00 H new ATOM 875 N CYS A 55 14.181 -39.413 -7.730 1.00 0.00 N ATOM 876 CA CYS A 55 13.990 -37.982 -8.019 1.00 0.00 C ATOM 877 C CYS A 55 15.208 -37.113 -7.650 1.00 0.00 C ATOM 878 O CYS A 55 15.559 -36.194 -8.399 1.00 0.00 O ATOM 879 CB CYS A 55 12.724 -37.486 -7.287 1.00 0.00 C ATOM 880 SG CYS A 55 12.088 -35.872 -7.810 1.00 0.00 S ATOM 0 H CYS A 55 13.539 -39.770 -7.022 1.00 0.00 H new ATOM 0 HA CYS A 55 13.871 -37.879 -9.098 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.936 -38.227 -7.423 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.939 -37.441 -6.219 1.00 0.00 H new ATOM 885 N TYR A 56 15.866 -37.375 -6.510 1.00 0.00 N ATOM 886 CA TYR A 56 17.151 -36.745 -6.193 1.00 0.00 C ATOM 887 C TYR A 56 18.252 -37.114 -7.202 1.00 0.00 C ATOM 888 O TYR A 56 18.974 -36.211 -7.629 1.00 0.00 O ATOM 889 CB TYR A 56 17.564 -37.005 -4.722 1.00 0.00 C ATOM 890 CG TYR A 56 16.909 -35.966 -3.794 1.00 0.00 C ATOM 891 CD1 TYR A 56 15.536 -35.899 -3.618 1.00 0.00 C ATOM 892 CD2 TYR A 56 17.672 -35.023 -3.125 1.00 0.00 C ATOM 893 CE1 TYR A 56 14.948 -34.936 -2.826 1.00 0.00 C ATOM 894 CE2 TYR A 56 17.091 -34.060 -2.321 1.00 0.00 C ATOM 895 CZ TYR A 56 15.728 -34.020 -2.169 1.00 0.00 C ATOM 896 OH TYR A 56 15.164 -33.100 -1.344 1.00 0.00 O ATOM 0 H TYR A 56 15.527 -38.019 -5.795 1.00 0.00 H new ATOM 0 HA TYR A 56 17.015 -35.668 -6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 56 17.264 -38.010 -4.424 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.649 -36.955 -4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.908 -36.623 -4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.746 -35.041 -3.234 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.873 -34.903 -2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.711 -33.338 -1.811 1.00 0.00 H new ATOM 0 HH TYR A 56 14.241 -33.361 -1.145 1.00 0.00 H new ATOM 906 N ILE A 57 18.372 -38.381 -7.642 1.00 0.00 N ATOM 907 CA ILE A 57 19.271 -38.732 -8.761 1.00 0.00 C ATOM 908 C ILE A 57 18.917 -38.007 -10.071 1.00 0.00 C ATOM 909 O ILE A 57 19.818 -37.509 -10.746 1.00 0.00 O ATOM 910 CB ILE A 57 19.366 -40.279 -8.962 1.00 0.00 C ATOM 911 CG1 ILE A 57 19.790 -41.024 -7.675 1.00 0.00 C ATOM 912 CG2 ILE A 57 20.285 -40.730 -10.127 1.00 0.00 C ATOM 913 CD1 ILE A 57 20.980 -40.428 -6.901 1.00 0.00 C ATOM 0 H ILE A 57 17.864 -39.172 -7.246 1.00 0.00 H new ATOM 0 HA ILE A 57 20.261 -38.374 -8.477 1.00 0.00 H new ATOM 0 HB ILE A 57 18.345 -40.554 -9.228 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.932 -41.064 -7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 57 20.035 -42.052 -7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 57 20.287 -41.818 -10.188 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.915 -40.315 -11.064 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.300 -40.375 -9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.182 -41.037 -6.020 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.861 -40.414 -7.543 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.740 -39.411 -6.592 1.00 0.00 H new ATOM 925 N ALA A 58 17.626 -37.915 -10.405 1.00 0.00 N ATOM 926 CA ALA A 58 17.123 -37.084 -11.513 1.00 0.00 C ATOM 927 C ALA A 58 17.580 -35.609 -11.424 1.00 0.00 C ATOM 928 O ALA A 58 18.117 -35.080 -12.400 1.00 0.00 O ATOM 929 CB ALA A 58 15.596 -37.171 -11.568 1.00 0.00 C ATOM 0 H ALA A 58 16.890 -38.419 -9.911 1.00 0.00 H new ATOM 0 HA ALA A 58 17.552 -37.480 -12.433 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.226 -36.556 -12.388 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.296 -38.207 -11.727 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.177 -36.813 -10.628 1.00 0.00 H new ATOM 935 N ASN A 59 17.404 -34.955 -10.262 1.00 0.00 N ATOM 936 CA ASN A 59 17.927 -33.604 -10.004 1.00 0.00 C ATOM 937 C ASN A 59 19.469 -33.516 -10.033 1.00 0.00 C ATOM 938 O ASN A 59 20.003 -32.538 -10.563 1.00 0.00 O ATOM 939 CB ASN A 59 17.376 -33.046 -8.663 1.00 0.00 C ATOM 940 CG ASN A 59 15.892 -32.695 -8.765 1.00 0.00 C ATOM 941 OD1 ASN A 59 15.511 -31.544 -8.957 1.00 0.00 O ATOM 942 ND2 ASN A 59 14.970 -33.626 -8.649 1.00 0.00 N ATOM 0 H ASN A 59 16.893 -35.351 -9.473 1.00 0.00 H new ATOM 0 HA ASN A 59 17.572 -32.986 -10.828 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.522 -33.784 -7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.941 -32.159 -8.378 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.983 -33.378 -8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.242 -34.596 -8.489 1.00 0.00 H new ATOM 949 N GLN A 60 20.203 -34.493 -9.472 1.00 0.00 N ATOM 950 CA GLN A 60 21.660 -34.581 -9.632 1.00 0.00 C ATOM 951 C GLN A 60 22.115 -34.815 -11.089 1.00 0.00 C ATOM 952 O GLN A 60 23.048 -34.133 -11.513 1.00 0.00 O ATOM 953 CB GLN A 60 22.277 -35.625 -8.657 1.00 0.00 C ATOM 954 CG GLN A 60 22.658 -35.080 -7.243 1.00 0.00 C ATOM 955 CD GLN A 60 21.467 -34.790 -6.324 1.00 0.00 C ATOM 956 OE1 GLN A 60 21.183 -35.541 -5.397 1.00 0.00 O ATOM 957 NE2 GLN A 60 20.728 -33.709 -6.486 1.00 0.00 N ATOM 0 H GLN A 60 19.804 -35.237 -8.900 1.00 0.00 H new ATOM 0 HA GLN A 60 22.048 -33.598 -9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.568 -36.444 -8.533 1.00 0.00 H new ATOM 0 HB3 GLN A 60 23.171 -36.044 -9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 60 23.309 -35.804 -6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.236 -34.164 -7.366 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.933 -33.060 -7.246 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.952 -33.522 -5.851 1.00 0.00 H new ATOM 966 N VAL A 61 21.496 -35.709 -11.882 1.00 0.00 N ATOM 967 CA VAL A 61 21.791 -35.870 -13.320 1.00 0.00 C ATOM 968 C VAL A 61 21.506 -34.593 -14.144 1.00 0.00 C ATOM 969 O VAL A 61 22.266 -34.291 -15.067 1.00 0.00 O ATOM 970 CB VAL A 61 21.064 -37.139 -13.888 1.00 0.00 C ATOM 971 CG1 VAL A 61 21.114 -37.308 -15.425 1.00 0.00 C ATOM 972 CG2 VAL A 61 21.689 -38.422 -13.298 1.00 0.00 C ATOM 0 H VAL A 61 20.773 -36.344 -11.543 1.00 0.00 H new ATOM 0 HA VAL A 61 22.865 -36.030 -13.420 1.00 0.00 H new ATOM 0 HB VAL A 61 20.024 -36.987 -13.600 1.00 0.00 H new ATOM 0 HG11 VAL A 61 20.582 -38.216 -15.709 1.00 0.00 H new ATOM 0 HG12 VAL A 61 20.644 -36.448 -15.901 1.00 0.00 H new ATOM 0 HG13 VAL A 61 22.152 -37.380 -15.750 1.00 0.00 H new ATOM 0 HG21 VAL A 61 21.175 -39.295 -13.700 1.00 0.00 H new ATOM 0 HG22 VAL A 61 22.745 -38.468 -13.564 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.588 -38.410 -12.213 1.00 0.00 H new ATOM 982 N ARG A 62 20.449 -33.820 -13.835 1.00 0.00 N ATOM 983 CA ARG A 62 20.248 -32.485 -14.418 1.00 0.00 C ATOM 984 C ARG A 62 21.380 -31.485 -14.094 1.00 0.00 C ATOM 985 O ARG A 62 21.734 -30.672 -14.952 1.00 0.00 O ATOM 986 CB ARG A 62 18.892 -31.886 -13.969 1.00 0.00 C ATOM 987 CG ARG A 62 17.621 -32.618 -14.462 1.00 0.00 C ATOM 988 CD ARG A 62 17.426 -32.622 -15.989 1.00 0.00 C ATOM 989 NE ARG A 62 16.020 -32.919 -16.280 1.00 0.00 N ATOM 990 CZ ARG A 62 15.038 -32.054 -16.265 1.00 0.00 C ATOM 991 NH1 ARG A 62 15.195 -30.809 -16.002 1.00 0.00 N ATOM 992 NH2 ARG A 62 13.856 -32.467 -16.520 1.00 0.00 N ATOM 0 H ARG A 62 19.718 -34.101 -13.181 1.00 0.00 H new ATOM 0 HA ARG A 62 20.255 -32.637 -15.497 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.872 -31.863 -12.879 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.845 -30.852 -14.310 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.655 -33.650 -14.112 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.750 -32.153 -14.000 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.703 -31.655 -16.408 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.074 -33.367 -16.451 1.00 0.00 H new ATOM 0 HE ARG A 62 15.787 -33.884 -16.515 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.124 -30.446 -15.790 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.391 -30.182 -16.005 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.694 -33.452 -16.729 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.074 -31.812 -16.514 1.00 0.00 H new ATOM 1006 N ALA A 63 21.944 -31.513 -12.877 1.00 0.00 N ATOM 1007 CA ALA A 63 23.118 -30.714 -12.521 1.00 0.00 C ATOM 1008 C ALA A 63 24.444 -31.278 -13.078 1.00 0.00 C ATOM 1009 O ALA A 63 25.215 -30.530 -13.686 1.00 0.00 O ATOM 1010 CB ALA A 63 23.168 -30.586 -10.985 1.00 0.00 C ATOM 0 H ALA A 63 21.595 -32.092 -12.113 1.00 0.00 H new ATOM 0 HA ALA A 63 23.013 -29.734 -12.986 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.036 -29.993 -10.697 1.00 0.00 H new ATOM 0 HB2 ALA A 63 22.261 -30.096 -10.631 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.242 -31.578 -10.539 1.00 0.00 H new ATOM 1016 N GLU A 64 24.736 -32.580 -12.918 1.00 0.00 N ATOM 1017 CA GLU A 64 25.993 -33.200 -13.366 1.00 0.00 C ATOM 1018 C GLU A 64 26.064 -33.437 -14.898 1.00 0.00 C ATOM 1019 O GLU A 64 26.173 -34.559 -15.399 1.00 0.00 O ATOM 1020 CB GLU A 64 26.217 -34.518 -12.570 1.00 0.00 C ATOM 1021 CG GLU A 64 26.388 -34.299 -11.036 1.00 0.00 C ATOM 1022 CD GLU A 64 26.482 -35.621 -10.272 1.00 0.00 C ATOM 1023 OE1 GLU A 64 25.441 -36.204 -9.974 1.00 0.00 O ATOM 1024 OE2 GLU A 64 27.595 -36.038 -9.967 1.00 0.00 O ATOM 0 H GLU A 64 24.099 -33.238 -12.469 1.00 0.00 H new ATOM 0 HA GLU A 64 26.800 -32.497 -13.158 1.00 0.00 H new ATOM 0 HB2 GLU A 64 25.372 -35.184 -12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 64 27.103 -35.021 -12.958 1.00 0.00 H new ATOM 0 HG2 GLU A 64 27.287 -33.710 -10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 64 25.545 -33.721 -10.657 1.00 0.00 H new