USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=14 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 15:sc= 1.3 USER MOD Set 1.2: A 23 TYR OH : rot -15:sc= 1.05 USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 2.39 (180deg=2.32) USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.19) 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+ -153:sc= 0.0995 (180deg=0.00495) USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= 1.15 (180deg=1.03) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.434 F(o=-1.3,f=-0.43) USER MOD Single : A 33 THR OG1 : rot -4:sc= 1.07 USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= 1.11 (180deg=1.05) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= 0.763 (180deg=-0.187!) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 1.11 (180deg=0.918) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.987 K(o=0.99,f=-6.4!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 17.141 -50.325 7.551 1.00 0.00 N ATOM 101 CA ILE A 6 17.139 -50.813 6.151 1.00 0.00 C ATOM 102 C ILE A 6 17.583 -52.284 6.108 1.00 0.00 C ATOM 103 O ILE A 6 16.856 -53.104 5.546 1.00 0.00 O ATOM 104 CB ILE A 6 17.970 -49.986 5.105 1.00 0.00 C ATOM 105 CG1 ILE A 6 17.494 -48.528 4.996 1.00 0.00 C ATOM 106 CG2 ILE A 6 17.956 -50.588 3.652 1.00 0.00 C ATOM 107 CD1 ILE A 6 18.240 -47.586 5.942 1.00 0.00 C ATOM 0 HA ILE A 6 16.104 -50.685 5.834 1.00 0.00 H new ATOM 0 HB ILE A 6 18.985 -50.033 5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.626 -48.184 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 6 16.427 -48.482 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.552 -49.958 2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.375 -51.594 3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 6 16.930 -50.629 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 6 17.860 -46.572 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.087 -47.909 6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 6 19.305 -47.605 5.710 1.00 0.00 H new ATOM 119 N GLU A 7 18.724 -52.635 6.727 1.00 0.00 N ATOM 120 CA GLU A 7 19.164 -54.029 6.826 1.00 0.00 C ATOM 121 C GLU A 7 18.194 -54.955 7.584 1.00 0.00 C ATOM 122 O GLU A 7 18.164 -56.125 7.232 1.00 0.00 O ATOM 123 CB GLU A 7 20.602 -54.163 7.397 1.00 0.00 C ATOM 124 CG GLU A 7 21.733 -53.928 6.344 1.00 0.00 C ATOM 125 CD GLU A 7 22.115 -52.461 6.153 1.00 0.00 C ATOM 126 OE1 GLU A 7 21.533 -51.782 5.307 1.00 0.00 O ATOM 127 OE2 GLU A 7 23.026 -52.013 6.843 1.00 0.00 O ATOM 0 H GLU A 7 19.357 -51.966 7.166 1.00 0.00 H new ATOM 0 HA GLU A 7 19.169 -54.374 5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.725 -53.450 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 7 20.720 -55.159 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 7 22.619 -54.486 6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.412 -54.336 5.386 1.00 0.00 H new ATOM 134 N GLU A 8 17.413 -54.543 8.594 1.00 0.00 N ATOM 135 CA GLU A 8 16.353 -55.381 9.184 1.00 0.00 C ATOM 136 C GLU A 8 15.133 -55.630 8.276 1.00 0.00 C ATOM 137 O GLU A 8 14.537 -56.708 8.372 1.00 0.00 O ATOM 138 CB GLU A 8 15.836 -54.747 10.492 1.00 0.00 C ATOM 139 CG GLU A 8 16.875 -54.696 11.651 1.00 0.00 C ATOM 140 CD GLU A 8 16.518 -53.702 12.767 1.00 0.00 C ATOM 141 OE1 GLU A 8 15.551 -52.939 12.652 1.00 0.00 O ATOM 142 OE2 GLU A 8 17.252 -53.672 13.756 1.00 0.00 O ATOM 0 H GLU A 8 17.496 -53.622 9.025 1.00 0.00 H new ATOM 0 HA GLU A 8 16.834 -56.345 9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.501 -53.732 10.279 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.964 -55.306 10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.971 -55.692 12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.849 -54.431 11.240 1.00 0.00 H new ATOM 149 N GLU A 9 14.682 -54.665 7.460 1.00 0.00 N ATOM 150 CA GLU A 9 13.559 -54.884 6.533 1.00 0.00 C ATOM 151 C GLU A 9 14.011 -55.460 5.183 1.00 0.00 C ATOM 152 O GLU A 9 13.391 -56.404 4.697 1.00 0.00 O ATOM 153 CB GLU A 9 12.686 -53.608 6.416 1.00 0.00 C ATOM 154 CG GLU A 9 12.272 -52.928 7.783 1.00 0.00 C ATOM 155 CD GLU A 9 11.938 -53.860 8.962 1.00 0.00 C ATOM 156 OE1 GLU A 9 11.245 -54.871 8.808 1.00 0.00 O ATOM 157 OE2 GLU A 9 12.406 -53.582 10.069 1.00 0.00 O ATOM 0 H GLU A 9 15.077 -53.725 7.423 1.00 0.00 H new ATOM 0 HA GLU A 9 12.918 -55.658 6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.226 -52.875 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.778 -53.861 5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.084 -52.270 8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.404 -52.296 7.596 1.00 0.00 H new ATOM 164 N ALA A 10 15.061 -54.930 4.553 1.00 0.00 N ATOM 165 CA ALA A 10 15.758 -55.611 3.452 1.00 0.00 C ATOM 166 C ALA A 10 16.643 -56.827 3.846 1.00 0.00 C ATOM 167 O ALA A 10 17.350 -57.349 2.983 1.00 0.00 O ATOM 168 CB ALA A 10 16.504 -54.531 2.637 1.00 0.00 C ATOM 0 H ALA A 10 15.454 -54.019 4.788 1.00 0.00 H new ATOM 0 HA ALA A 10 15.007 -56.105 2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.034 -55.002 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.786 -53.810 2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.219 -54.018 3.281 1.00 0.00 H new ATOM 174 N ALA A 11 16.705 -57.310 5.099 1.00 0.00 N ATOM 175 CA ALA A 11 16.956 -58.735 5.373 1.00 0.00 C ATOM 176 C ALA A 11 15.757 -59.625 5.009 1.00 0.00 C ATOM 177 O ALA A 11 15.912 -60.704 4.432 1.00 0.00 O ATOM 178 CB ALA A 11 17.295 -58.965 6.862 1.00 0.00 C ATOM 0 H ALA A 11 16.585 -56.737 5.934 1.00 0.00 H new ATOM 0 HA ALA A 11 17.803 -59.013 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.475 -60.026 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.188 -58.398 7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.461 -58.634 7.480 1.00 0.00 H new ATOM 184 N LYS A 12 14.543 -59.142 5.309 1.00 0.00 N ATOM 185 CA LYS A 12 13.303 -59.897 5.152 1.00 0.00 C ATOM 186 C LYS A 12 12.849 -59.947 3.676 1.00 0.00 C ATOM 187 O LYS A 12 11.786 -59.463 3.288 1.00 0.00 O ATOM 188 CB LYS A 12 12.202 -59.286 6.060 1.00 0.00 C ATOM 189 CG LYS A 12 12.526 -59.255 7.564 1.00 0.00 C ATOM 190 CD LYS A 12 11.316 -58.722 8.364 1.00 0.00 C ATOM 191 CE LYS A 12 11.667 -58.364 9.809 1.00 0.00 C ATOM 192 NZ LYS A 12 12.362 -57.082 9.806 1.00 0.00 N ATOM 0 H LYS A 12 14.398 -58.200 5.673 1.00 0.00 H new ATOM 0 HA LYS A 12 13.483 -60.927 5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.005 -58.267 5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.281 -59.852 5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.785 -60.257 7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.395 -58.622 7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.916 -57.840 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.527 -59.474 8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.764 -58.305 10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.297 -59.137 10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.520 -56.771 10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.277 -57.185 9.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.785 -56.375 9.307 1.00 0.00 H new ATOM 206 N TYR A 13 13.686 -60.568 2.841 1.00 0.00 N ATOM 207 CA TYR A 13 13.366 -60.895 1.448 1.00 0.00 C ATOM 208 C TYR A 13 12.244 -61.951 1.297 1.00 0.00 C ATOM 209 O TYR A 13 11.695 -62.139 0.211 1.00 0.00 O ATOM 210 CB TYR A 13 14.685 -61.293 0.723 1.00 0.00 C ATOM 211 CG TYR A 13 15.383 -60.092 0.048 1.00 0.00 C ATOM 212 CD1 TYR A 13 15.612 -58.864 0.667 1.00 0.00 C ATOM 213 CD2 TYR A 13 15.800 -60.207 -1.270 1.00 0.00 C ATOM 214 CE1 TYR A 13 16.215 -57.819 -0.009 1.00 0.00 C ATOM 215 CE2 TYR A 13 16.402 -59.163 -1.946 1.00 0.00 C ATOM 216 CZ TYR A 13 16.600 -57.964 -1.316 1.00 0.00 C ATOM 217 OH TYR A 13 17.112 -56.917 -2.014 1.00 0.00 O ATOM 0 H TYR A 13 14.622 -60.863 3.119 1.00 0.00 H new ATOM 0 HA TYR A 13 12.945 -60.011 0.970 1.00 0.00 H new ATOM 0 HB2 TYR A 13 15.367 -61.746 1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 13 14.466 -62.050 -0.030 1.00 0.00 H new ATOM 0 HD1 TYR A 13 15.312 -58.726 1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 13 15.649 -61.144 -1.785 1.00 0.00 H new ATOM 0 HE1 TYR A 13 16.384 -56.880 0.498 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.716 -59.293 -2.971 1.00 0.00 H new ATOM 0 HH TYR A 13 17.364 -56.202 -1.393 1.00 0.00 H new ATOM 227 N LYS A 14 11.905 -62.653 2.390 1.00 0.00 N ATOM 228 CA LYS A 14 10.636 -63.368 2.553 1.00 0.00 C ATOM 229 C LYS A 14 9.409 -62.422 2.572 1.00 0.00 C ATOM 230 O LYS A 14 8.341 -62.781 2.056 1.00 0.00 O ATOM 231 CB LYS A 14 10.727 -64.213 3.859 1.00 0.00 C ATOM 232 CG LYS A 14 9.452 -65.015 4.241 1.00 0.00 C ATOM 233 CD LYS A 14 9.087 -66.168 3.268 1.00 0.00 C ATOM 234 CE LYS A 14 7.596 -66.181 2.903 1.00 0.00 C ATOM 235 NZ LYS A 14 7.354 -65.195 1.852 1.00 0.00 N ATOM 0 H LYS A 14 12.520 -62.739 3.199 1.00 0.00 H new ATOM 0 HA LYS A 14 10.482 -64.017 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.556 -64.913 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.973 -63.545 4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.588 -65.431 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.610 -64.325 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.679 -66.072 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.354 -67.122 3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.300 -67.174 2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.992 -65.952 3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.340 -65.174 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.654 -64.255 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.895 -65.453 1.002 1.00 0.00 H new ATOM 249 N TYR A 15 9.530 -61.220 3.154 1.00 0.00 N ATOM 250 CA TYR A 15 8.486 -60.193 3.127 1.00 0.00 C ATOM 251 C TYR A 15 8.783 -59.164 2.015 1.00 0.00 C ATOM 252 O TYR A 15 9.064 -57.968 2.201 1.00 0.00 O ATOM 253 CB TYR A 15 8.334 -59.550 4.524 1.00 0.00 C ATOM 254 CG TYR A 15 7.709 -60.546 5.513 1.00 0.00 C ATOM 255 CD1 TYR A 15 6.360 -60.849 5.457 1.00 0.00 C ATOM 256 CD2 TYR A 15 8.462 -61.171 6.492 1.00 0.00 C ATOM 257 CE1 TYR A 15 5.780 -61.737 6.343 1.00 0.00 C ATOM 258 CE2 TYR A 15 7.891 -62.060 7.381 1.00 0.00 C ATOM 259 CZ TYR A 15 6.551 -62.340 7.306 1.00 0.00 C ATOM 260 OH TYR A 15 6.005 -63.213 8.190 1.00 0.00 O ATOM 0 H TYR A 15 10.367 -60.933 3.662 1.00 0.00 H new ATOM 0 HA TYR A 15 7.525 -60.647 2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.309 -59.229 4.890 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.710 -58.659 4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.746 -60.380 4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.519 -60.959 6.562 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.724 -61.956 6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.500 -62.535 8.136 1.00 0.00 H new ATOM 0 HH TYR A 15 6.700 -63.541 8.797 1.00 0.00 H new ATOM 270 N ALA A 16 8.627 -59.756 0.822 1.00 0.00 N ATOM 271 CA ALA A 16 8.994 -59.175 -0.467 1.00 0.00 C ATOM 272 C ALA A 16 8.339 -57.815 -0.757 1.00 0.00 C ATOM 273 O ALA A 16 9.003 -56.896 -1.234 1.00 0.00 O ATOM 274 CB ALA A 16 8.651 -60.206 -1.562 1.00 0.00 C ATOM 0 H ALA A 16 8.225 -60.689 0.731 1.00 0.00 H new ATOM 0 HA ALA A 16 10.062 -58.960 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.914 -59.800 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.213 -61.123 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.583 -60.424 -1.535 1.00 0.00 H new ATOM 280 N MET A 17 7.056 -57.683 -0.404 1.00 0.00 N ATOM 281 CA MET A 17 6.293 -56.442 -0.527 1.00 0.00 C ATOM 282 C MET A 17 6.802 -55.331 0.420 1.00 0.00 C ATOM 283 O MET A 17 6.795 -54.157 0.049 1.00 0.00 O ATOM 284 CB MET A 17 4.806 -56.797 -0.268 1.00 0.00 C ATOM 285 CG MET A 17 3.819 -55.658 -0.605 1.00 0.00 C ATOM 286 SD MET A 17 2.093 -56.159 -0.376 1.00 0.00 S ATOM 287 CE MET A 17 1.656 -56.663 -2.060 1.00 0.00 C ATOM 0 H MET A 17 6.510 -58.453 -0.017 1.00 0.00 H new ATOM 0 HA MET A 17 6.418 -56.026 -1.527 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.545 -57.676 -0.858 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.686 -57.069 0.781 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.032 -54.796 0.027 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.970 -55.342 -1.637 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.619 -56.998 -2.082 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.778 -55.817 -2.736 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.308 -57.477 -2.377 1.00 0.00 H new ATOM 297 N LEU A 18 7.316 -55.678 1.609 1.00 0.00 N ATOM 298 CA LEU A 18 7.717 -54.702 2.627 1.00 0.00 C ATOM 299 C LEU A 18 9.163 -54.213 2.434 1.00 0.00 C ATOM 300 O LEU A 18 9.447 -53.016 2.584 1.00 0.00 O ATOM 301 CB LEU A 18 7.454 -55.292 4.039 1.00 0.00 C ATOM 302 CG LEU A 18 5.981 -55.744 4.258 1.00 0.00 C ATOM 303 CD1 LEU A 18 5.803 -56.386 5.635 1.00 0.00 C ATOM 304 CD2 LEU A 18 4.987 -54.577 4.138 1.00 0.00 C ATOM 0 H LEU A 18 7.465 -56.647 1.890 1.00 0.00 H new ATOM 0 HA LEU A 18 7.106 -53.806 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.115 -56.145 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.712 -54.545 4.790 1.00 0.00 H new ATOM 0 HG LEU A 18 5.769 -56.470 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.765 -56.693 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.452 -57.258 5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.066 -55.665 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.973 -54.944 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.222 -53.820 4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.060 -54.138 3.143 1.00 0.00 H new ATOM 316 N LYS A 19 10.102 -55.102 2.078 1.00 0.00 N ATOM 317 CA LYS A 19 11.351 -54.621 1.479 1.00 0.00 C ATOM 318 C LYS A 19 11.139 -53.913 0.115 1.00 0.00 C ATOM 319 O LYS A 19 11.929 -53.032 -0.219 1.00 0.00 O ATOM 320 CB LYS A 19 12.399 -55.761 1.401 1.00 0.00 C ATOM 321 CG LYS A 19 12.126 -56.908 0.397 1.00 0.00 C ATOM 322 CD LYS A 19 12.798 -56.691 -0.978 1.00 0.00 C ATOM 323 CE LYS A 19 12.552 -57.845 -1.940 1.00 0.00 C ATOM 324 NZ LYS A 19 13.378 -57.602 -3.112 1.00 0.00 N ATOM 0 H LYS A 19 10.027 -56.113 2.188 1.00 0.00 H new ATOM 0 HA LYS A 19 11.748 -53.851 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.363 -55.317 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.497 -56.198 2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.481 -57.846 0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.050 -57.009 0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.422 -55.768 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.871 -56.563 -0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.811 -58.797 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.499 -57.901 -2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.944 -58.053 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.456 -56.578 -3.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.326 -58.001 -2.958 1.00 0.00 H new ATOM 338 N LYS A 20 10.127 -54.242 -0.712 1.00 0.00 N ATOM 339 CA LYS A 20 9.759 -53.410 -1.866 1.00 0.00 C ATOM 340 C LYS A 20 9.194 -52.038 -1.420 1.00 0.00 C ATOM 341 O LYS A 20 9.447 -51.064 -2.126 1.00 0.00 O ATOM 342 CB LYS A 20 8.778 -54.186 -2.785 1.00 0.00 C ATOM 343 CG LYS A 20 8.547 -53.600 -4.202 1.00 0.00 C ATOM 344 CD LYS A 20 7.192 -52.868 -4.341 1.00 0.00 C ATOM 345 CE LYS A 20 6.908 -52.357 -5.759 1.00 0.00 C ATOM 346 NZ LYS A 20 7.813 -51.254 -6.068 1.00 0.00 N ATOM 0 H LYS A 20 9.553 -55.078 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 20 10.657 -53.193 -2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.147 -55.206 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.814 -54.248 -2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.354 -52.906 -4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.595 -54.406 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.392 -53.545 -4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.172 -52.025 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.040 -53.163 -6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.873 -52.025 -5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.406 -50.674 -6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.947 -50.667 -5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.731 -51.634 -6.375 1.00 0.00 H new ATOM 360 N CYS A 21 8.457 -51.894 -0.296 1.00 0.00 N ATOM 361 CA CYS A 21 8.203 -50.589 0.348 1.00 0.00 C ATOM 362 C CYS A 21 9.487 -49.790 0.664 1.00 0.00 C ATOM 363 O CYS A 21 9.520 -48.577 0.421 1.00 0.00 O ATOM 364 CB CYS A 21 7.399 -50.764 1.653 1.00 0.00 C ATOM 365 SG CYS A 21 5.673 -51.282 1.474 1.00 0.00 S ATOM 0 H CYS A 21 8.023 -52.679 0.189 1.00 0.00 H new ATOM 0 HA CYS A 21 7.630 -50.018 -0.383 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.913 -51.497 2.275 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.417 -49.818 2.195 1.00 0.00 H new ATOM 370 N CYS A 22 10.537 -50.458 1.191 1.00 0.00 N ATOM 371 CA CYS A 22 11.911 -49.906 1.210 1.00 0.00 C ATOM 372 C CYS A 22 12.317 -49.382 -0.162 1.00 0.00 C ATOM 373 O CYS A 22 12.616 -48.200 -0.326 1.00 0.00 O ATOM 374 CB CYS A 22 12.934 -50.876 1.864 1.00 0.00 C ATOM 375 SG CYS A 22 14.236 -50.066 2.844 1.00 0.00 S ATOM 0 H CYS A 22 10.459 -51.384 1.611 1.00 0.00 H new ATOM 0 HA CYS A 22 11.915 -49.036 1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.394 -51.571 2.507 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.405 -51.468 1.079 1.00 0.00 H new ATOM 380 N TYR A 23 12.245 -50.226 -1.169 1.00 0.00 N ATOM 381 CA TYR A 23 12.738 -49.849 -2.480 1.00 0.00 C ATOM 382 C TYR A 23 11.844 -48.823 -3.226 1.00 0.00 C ATOM 383 O TYR A 23 12.345 -48.087 -4.079 1.00 0.00 O ATOM 384 CB TYR A 23 13.095 -51.155 -3.172 1.00 0.00 C ATOM 385 CG TYR A 23 14.084 -52.038 -2.353 1.00 0.00 C ATOM 386 CD1 TYR A 23 14.777 -51.706 -1.160 1.00 0.00 C ATOM 387 CD2 TYR A 23 14.378 -53.259 -2.926 1.00 0.00 C ATOM 388 CE1 TYR A 23 15.744 -52.563 -0.660 1.00 0.00 C ATOM 389 CE2 TYR A 23 15.334 -54.108 -2.416 1.00 0.00 C ATOM 390 CZ TYR A 23 16.023 -53.755 -1.289 1.00 0.00 C ATOM 391 OH TYR A 23 16.973 -54.605 -0.813 1.00 0.00 O ATOM 0 H TYR A 23 11.855 -51.167 -1.109 1.00 0.00 H new ATOM 0 HA TYR A 23 13.642 -49.242 -2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.182 -51.721 -3.357 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.536 -50.934 -4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.551 -50.786 -0.642 1.00 0.00 H new ATOM 0 HD2 TYR A 23 13.836 -53.560 -3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.286 -52.292 0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 23 15.539 -55.049 -2.904 1.00 0.00 H new ATOM 0 HH TYR A 23 17.537 -54.135 -0.164 1.00 0.00 H new ATOM 401 N ASP A 24 10.546 -48.713 -2.878 1.00 0.00 N ATOM 402 CA ASP A 24 9.708 -47.537 -3.171 1.00 0.00 C ATOM 403 C ASP A 24 10.276 -46.247 -2.553 1.00 0.00 C ATOM 404 O ASP A 24 10.366 -45.231 -3.248 1.00 0.00 O ATOM 405 CB ASP A 24 8.238 -47.713 -2.681 1.00 0.00 C ATOM 406 CG ASP A 24 7.483 -48.878 -3.318 1.00 0.00 C ATOM 407 OD1 ASP A 24 7.712 -49.210 -4.487 1.00 0.00 O ATOM 408 OD2 ASP A 24 6.632 -49.437 -2.636 1.00 0.00 O ATOM 0 H ASP A 24 10.046 -49.449 -2.379 1.00 0.00 H new ATOM 0 HA ASP A 24 9.714 -47.451 -4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.245 -47.851 -1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.691 -46.792 -2.881 1.00 0.00 H new ATOM 413 N GLY A 25 10.639 -46.280 -1.259 1.00 0.00 N ATOM 414 CA GLY A 25 11.343 -45.176 -0.589 1.00 0.00 C ATOM 415 C GLY A 25 12.689 -44.801 -1.218 1.00 0.00 C ATOM 416 O GLY A 25 12.985 -43.615 -1.349 1.00 0.00 O ATOM 0 H GLY A 25 10.451 -47.075 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.698 -44.297 -0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.507 -45.447 0.454 1.00 0.00 H new ATOM 420 N ALA A 26 13.490 -45.807 -1.599 1.00 0.00 N ATOM 421 CA ALA A 26 14.759 -45.607 -2.305 1.00 0.00 C ATOM 422 C ALA A 26 14.612 -44.969 -3.703 1.00 0.00 C ATOM 423 O ALA A 26 15.354 -44.030 -4.010 1.00 0.00 O ATOM 424 CB ALA A 26 15.515 -46.946 -2.402 1.00 0.00 C ATOM 0 H ALA A 26 13.272 -46.788 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 26 15.329 -44.889 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.458 -46.794 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.715 -47.324 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.908 -47.668 -2.948 1.00 0.00 H new ATOM 430 N TYR A 27 13.684 -45.421 -4.566 1.00 0.00 N ATOM 431 CA TYR A 27 13.479 -44.823 -5.894 1.00 0.00 C ATOM 432 C TYR A 27 12.766 -43.444 -5.889 1.00 0.00 C ATOM 433 O TYR A 27 11.642 -43.269 -6.376 1.00 0.00 O ATOM 434 CB TYR A 27 12.779 -45.848 -6.835 1.00 0.00 C ATOM 435 CG TYR A 27 13.766 -46.916 -7.332 1.00 0.00 C ATOM 436 CD1 TYR A 27 14.530 -46.715 -8.470 1.00 0.00 C ATOM 437 CD2 TYR A 27 13.926 -48.120 -6.668 1.00 0.00 C ATOM 438 CE1 TYR A 27 15.414 -47.675 -8.923 1.00 0.00 C ATOM 439 CE2 TYR A 27 14.808 -49.086 -7.112 1.00 0.00 C ATOM 440 CZ TYR A 27 15.552 -48.858 -8.244 1.00 0.00 C ATOM 441 OH TYR A 27 16.424 -49.792 -8.702 1.00 0.00 O ATOM 0 H TYR A 27 13.062 -46.203 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 27 14.471 -44.596 -6.284 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.957 -46.329 -6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 27 12.346 -45.325 -7.688 1.00 0.00 H new ATOM 0 HD1 TYR A 27 14.432 -45.788 -9.015 1.00 0.00 H new ATOM 0 HD2 TYR A 27 13.345 -48.309 -5.778 1.00 0.00 H new ATOM 0 HE1 TYR A 27 15.997 -47.493 -9.814 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.912 -50.016 -6.572 1.00 0.00 H new ATOM 0 HH TYR A 27 16.407 -50.573 -8.111 1.00 0.00 H new ATOM 451 N ARG A 28 13.450 -42.432 -5.333 1.00 0.00 N ATOM 452 CA ARG A 28 13.018 -41.034 -5.418 1.00 0.00 C ATOM 453 C ARG A 28 13.244 -40.402 -6.806 1.00 0.00 C ATOM 454 O ARG A 28 14.311 -40.510 -7.414 1.00 0.00 O ATOM 455 CB ARG A 28 13.692 -40.193 -4.313 1.00 0.00 C ATOM 456 CG ARG A 28 12.998 -40.326 -2.939 1.00 0.00 C ATOM 457 CD ARG A 28 11.923 -39.266 -2.663 1.00 0.00 C ATOM 458 NE ARG A 28 10.724 -39.439 -3.489 1.00 0.00 N ATOM 459 CZ ARG A 28 9.685 -38.653 -3.437 1.00 0.00 C ATOM 460 NH1 ARG A 28 9.459 -37.821 -2.499 1.00 0.00 N ATOM 461 NH2 ARG A 28 8.771 -38.734 -4.317 1.00 0.00 N ATOM 0 H ARG A 28 14.317 -42.563 -4.813 1.00 0.00 H new ATOM 0 HA ARG A 28 11.939 -41.035 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.734 -40.498 -4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.693 -39.145 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.542 -41.314 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.755 -40.270 -2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.642 -39.307 -1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.342 -38.276 -2.843 1.00 0.00 H new ATOM 0 HE ARG A 28 10.701 -40.221 -4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.114 -37.739 -1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.623 -37.237 -2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.848 -39.417 -5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.961 -38.116 -4.270 1.00 0.00 H new ATOM 475 N ASN A 29 12.208 -39.697 -7.279 1.00 0.00 N ATOM 476 CA ASN A 29 12.107 -39.269 -8.676 1.00 0.00 C ATOM 477 C ASN A 29 11.185 -38.048 -8.889 1.00 0.00 C ATOM 478 O ASN A 29 11.624 -37.012 -9.385 1.00 0.00 O ATOM 479 CB ASN A 29 11.687 -40.499 -9.565 1.00 0.00 C ATOM 480 CG ASN A 29 10.345 -41.137 -9.179 1.00 0.00 C ATOM 481 OD1 ASN A 29 10.087 -41.554 -7.950 1.00 0.00 O flip ATOM 482 ND2 ASN A 29 9.453 -41.239 -10.009 1.00 0.00 N flip ATOM 0 H ASN A 29 11.418 -39.409 -6.702 1.00 0.00 H new ATOM 0 HA ASN A 29 13.091 -38.919 -8.987 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.636 -40.178 -10.605 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.467 -41.258 -9.503 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.611 -40.929 -10.968 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.551 -41.634 -9.742 1.00 0.00 H new ATOM 489 N ASP A 30 9.908 -38.172 -8.512 1.00 0.00 N ATOM 490 CA ASP A 30 8.848 -37.192 -8.754 1.00 0.00 C ATOM 491 C ASP A 30 8.880 -35.913 -7.891 1.00 0.00 C ATOM 492 O ASP A 30 8.694 -34.825 -8.438 1.00 0.00 O ATOM 493 CB ASP A 30 7.477 -37.933 -8.684 1.00 0.00 C ATOM 494 CG ASP A 30 7.248 -38.688 -7.372 1.00 0.00 C ATOM 495 OD1 ASP A 30 8.067 -39.543 -7.007 1.00 0.00 O ATOM 496 OD2 ASP A 30 6.253 -38.406 -6.717 1.00 0.00 O ATOM 0 H ASP A 30 9.572 -38.993 -8.009 1.00 0.00 H new ATOM 0 HA ASP A 30 9.021 -36.783 -9.750 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.675 -37.207 -8.819 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.413 -38.637 -9.513 1.00 0.00 H new ATOM 501 N ASP A 31 9.092 -35.992 -6.567 1.00 0.00 N ATOM 502 CA ASP A 31 9.111 -34.816 -5.693 1.00 0.00 C ATOM 503 C ASP A 31 10.160 -34.948 -4.559 1.00 0.00 C ATOM 504 O ASP A 31 10.948 -35.895 -4.523 1.00 0.00 O ATOM 505 CB ASP A 31 7.652 -34.551 -5.167 1.00 0.00 C ATOM 506 CG ASP A 31 7.232 -35.411 -3.976 1.00 0.00 C ATOM 507 OD1 ASP A 31 7.121 -36.631 -4.095 1.00 0.00 O ATOM 508 OD2 ASP A 31 7.067 -34.833 -2.901 1.00 0.00 O ATOM 0 H ASP A 31 9.254 -36.872 -6.077 1.00 0.00 H new ATOM 0 HA ASP A 31 9.431 -33.943 -6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.568 -33.501 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.950 -34.720 -5.984 1.00 0.00 H new ATOM 513 N GLU A 32 10.240 -33.960 -3.659 1.00 0.00 N ATOM 514 CA GLU A 32 11.045 -34.055 -2.436 1.00 0.00 C ATOM 515 C GLU A 32 10.425 -34.864 -1.274 1.00 0.00 C ATOM 516 O GLU A 32 11.121 -35.676 -0.654 1.00 0.00 O ATOM 517 CB GLU A 32 11.502 -32.644 -1.979 1.00 0.00 C ATOM 518 CG GLU A 32 12.613 -32.030 -2.895 1.00 0.00 C ATOM 519 CD GLU A 32 13.970 -32.736 -2.772 1.00 0.00 C ATOM 520 OE1 GLU A 32 14.750 -32.346 -1.908 1.00 0.00 O ATOM 521 OE2 GLU A 32 14.234 -33.651 -3.552 1.00 0.00 O ATOM 0 H GLU A 32 9.748 -33.072 -3.759 1.00 0.00 H new ATOM 0 HA GLU A 32 11.913 -34.652 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.640 -31.976 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.875 -32.703 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.282 -32.075 -3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.737 -30.976 -2.645 1.00 0.00 H new ATOM 528 N THR A 33 9.130 -34.700 -0.980 1.00 0.00 N ATOM 529 CA THR A 33 8.498 -35.209 0.249 1.00 0.00 C ATOM 530 C THR A 33 8.038 -36.676 0.149 1.00 0.00 C ATOM 531 O THR A 33 7.149 -37.030 -0.631 1.00 0.00 O ATOM 532 CB THR A 33 7.307 -34.313 0.687 1.00 0.00 C ATOM 533 OG1 THR A 33 6.341 -34.124 -0.340 1.00 0.00 O ATOM 534 CG2 THR A 33 7.750 -32.915 1.092 1.00 0.00 C ATOM 0 H THR A 33 8.482 -34.205 -1.593 1.00 0.00 H new ATOM 0 HA THR A 33 9.280 -35.172 1.008 1.00 0.00 H new ATOM 0 HB THR A 33 6.875 -34.855 1.528 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.652 -34.553 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.880 -32.329 1.389 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.446 -32.982 1.929 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.242 -32.431 0.249 1.00 0.00 H new ATOM 542 N CYS A 34 8.682 -37.547 0.937 1.00 0.00 N ATOM 543 CA CYS A 34 8.365 -38.979 0.996 1.00 0.00 C ATOM 544 C CYS A 34 6.957 -39.289 1.531 1.00 0.00 C ATOM 545 O CYS A 34 6.295 -40.194 1.022 1.00 0.00 O ATOM 546 CB CYS A 34 9.426 -39.734 1.828 1.00 0.00 C ATOM 547 SG CYS A 34 11.029 -39.853 0.994 1.00 0.00 S ATOM 0 H CYS A 34 9.445 -37.274 1.557 1.00 0.00 H new ATOM 0 HA CYS A 34 8.381 -39.327 -0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 34 9.557 -39.227 2.784 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.061 -40.738 2.046 1.00 0.00 H new ATOM 552 N GLU A 35 6.481 -38.535 2.532 1.00 0.00 N ATOM 553 CA GLU A 35 5.141 -38.711 3.105 1.00 0.00 C ATOM 554 C GLU A 35 3.990 -38.207 2.207 1.00 0.00 C ATOM 555 O GLU A 35 2.833 -38.401 2.568 1.00 0.00 O ATOM 556 CB GLU A 35 5.013 -38.183 4.574 1.00 0.00 C ATOM 557 CG GLU A 35 5.437 -36.707 4.878 1.00 0.00 C ATOM 558 CD GLU A 35 6.957 -36.544 4.887 1.00 0.00 C ATOM 559 OE1 GLU A 35 7.588 -36.886 5.891 1.00 0.00 O ATOM 560 OE2 GLU A 35 7.506 -36.167 3.851 1.00 0.00 O ATOM 0 H GLU A 35 7.017 -37.784 2.967 1.00 0.00 H new ATOM 0 HA GLU A 35 5.022 -39.794 3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.973 -38.298 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.606 -38.837 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.005 -36.043 4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.033 -36.404 5.844 1.00 0.00 H new ATOM 567 N GLU A 36 4.237 -37.567 1.055 1.00 0.00 N ATOM 568 CA GLU A 36 3.225 -37.383 0.007 1.00 0.00 C ATOM 569 C GLU A 36 2.918 -38.729 -0.689 1.00 0.00 C ATOM 570 O GLU A 36 1.791 -39.249 -0.636 1.00 0.00 O ATOM 571 CB GLU A 36 3.737 -36.259 -0.949 1.00 0.00 C ATOM 572 CG GLU A 36 3.017 -36.061 -2.324 1.00 0.00 C ATOM 573 CD GLU A 36 1.497 -35.880 -2.255 1.00 0.00 C ATOM 574 OE1 GLU A 36 1.024 -34.922 -1.648 1.00 0.00 O ATOM 575 OE2 GLU A 36 0.809 -36.704 -2.859 1.00 0.00 O ATOM 0 H GLU A 36 5.145 -37.163 0.824 1.00 0.00 H new ATOM 0 HA GLU A 36 2.267 -37.060 0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.683 -35.314 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.791 -36.451 -1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.447 -35.189 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.234 -36.923 -2.955 1.00 0.00 H new ATOM 582 N ARG A 37 3.971 -39.314 -1.283 1.00 0.00 N ATOM 583 CA ARG A 37 3.926 -40.678 -1.803 1.00 0.00 C ATOM 584 C ARG A 37 3.486 -41.691 -0.739 1.00 0.00 C ATOM 585 O ARG A 37 2.576 -42.471 -1.009 1.00 0.00 O ATOM 586 CB ARG A 37 5.291 -41.117 -2.376 1.00 0.00 C ATOM 587 CG ARG A 37 5.607 -40.559 -3.777 1.00 0.00 C ATOM 588 CD ARG A 37 6.634 -41.449 -4.497 1.00 0.00 C ATOM 589 NE ARG A 37 7.904 -41.418 -3.769 1.00 0.00 N ATOM 590 CZ ARG A 37 8.768 -42.388 -3.688 1.00 0.00 C ATOM 591 NH1 ARG A 37 8.645 -43.524 -4.258 1.00 0.00 N ATOM 592 NH2 ARG A 37 9.816 -42.219 -2.986 1.00 0.00 N ATOM 0 H ARG A 37 4.871 -38.852 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 37 3.186 -40.665 -2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.077 -40.804 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.320 -42.206 -2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.692 -40.502 -4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.995 -39.544 -3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.264 -42.472 -4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.780 -41.100 -5.519 1.00 0.00 H new ATOM 0 HE ARG A 37 8.134 -40.554 -3.278 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.822 -43.723 -4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.370 -44.233 -4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.967 -41.335 -2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.505 -42.967 -2.910 1.00 0.00 H new ATOM 606 N ALA A 38 4.086 -41.712 0.455 1.00 0.00 N ATOM 607 CA ALA A 38 3.666 -42.621 1.517 1.00 0.00 C ATOM 608 C ALA A 38 2.559 -42.095 2.466 1.00 0.00 C ATOM 609 O ALA A 38 2.349 -42.625 3.559 1.00 0.00 O ATOM 610 CB ALA A 38 4.921 -43.215 2.158 1.00 0.00 C ATOM 0 H ALA A 38 4.867 -41.106 0.707 1.00 0.00 H new ATOM 0 HA ALA A 38 3.100 -43.444 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.633 -43.899 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.493 -43.757 1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.533 -42.413 2.571 1.00 0.00 H new ATOM 616 N ALA A 39 1.842 -41.019 2.102 1.00 0.00 N ATOM 617 CA ALA A 39 0.401 -40.929 2.347 1.00 0.00 C ATOM 618 C ALA A 39 -0.403 -41.841 1.403 1.00 0.00 C ATOM 619 O ALA A 39 -1.356 -42.481 1.859 1.00 0.00 O ATOM 620 CB ALA A 39 -0.087 -39.473 2.212 1.00 0.00 C ATOM 0 H ALA A 39 2.240 -40.203 1.638 1.00 0.00 H new ATOM 0 HA ALA A 39 0.230 -41.271 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.160 -39.430 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.432 -38.846 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.121 -39.111 1.205 1.00 0.00 H new ATOM 626 N ARG A 40 -0.066 -41.890 0.102 1.00 0.00 N ATOM 627 CA ARG A 40 -0.678 -42.862 -0.826 1.00 0.00 C ATOM 628 C ARG A 40 -0.245 -44.335 -0.595 1.00 0.00 C ATOM 629 O ARG A 40 -1.080 -45.235 -0.705 1.00 0.00 O ATOM 630 CB ARG A 40 -0.424 -42.436 -2.294 1.00 0.00 C ATOM 631 CG ARG A 40 -1.163 -41.134 -2.714 1.00 0.00 C ATOM 632 CD ARG A 40 -0.226 -40.000 -3.161 1.00 0.00 C ATOM 633 NE ARG A 40 0.523 -40.432 -4.341 1.00 0.00 N ATOM 634 CZ ARG A 40 1.384 -39.711 -5.001 1.00 0.00 C ATOM 635 NH1 ARG A 40 1.646 -38.478 -4.771 1.00 0.00 N ATOM 636 NH2 ARG A 40 2.008 -40.265 -5.964 1.00 0.00 N ATOM 0 H ARG A 40 0.622 -41.273 -0.330 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.747 -42.843 -0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.647 -42.296 -2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.733 -43.246 -2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.851 -41.365 -3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.766 -40.784 -1.876 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.803 -39.104 -3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.460 -39.740 -2.355 1.00 0.00 H new ATOM 0 HE ARG A 40 0.356 -41.381 -4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.163 -37.986 -4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.338 -37.989 -5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.826 -41.242 -6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.690 -39.732 -6.504 1.00 0.00 H new ATOM 650 N ILE A 41 1.040 -44.639 -0.344 1.00 0.00 N ATOM 651 CA ILE A 41 1.514 -45.935 0.161 1.00 0.00 C ATOM 652 C ILE A 41 1.082 -46.200 1.626 1.00 0.00 C ATOM 653 O ILE A 41 1.707 -45.905 2.646 1.00 0.00 O ATOM 654 CB ILE A 41 3.026 -46.193 -0.117 1.00 0.00 C ATOM 655 CG1 ILE A 41 3.357 -46.222 -1.628 1.00 0.00 C ATOM 656 CG2 ILE A 41 3.510 -47.496 0.441 1.00 0.00 C ATOM 657 CD1 ILE A 41 4.074 -44.954 -1.971 1.00 0.00 C ATOM 0 H ILE A 41 1.796 -43.971 -0.491 1.00 0.00 H new ATOM 0 HA ILE A 41 1.000 -46.695 -0.428 1.00 0.00 H new ATOM 0 HB ILE A 41 3.526 -45.358 0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.977 -47.086 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.444 -46.314 -2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.569 -47.618 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.366 -47.505 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.947 -48.315 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.319 -44.950 -3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.434 -44.101 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.992 -44.886 -1.387 1.00 0.00 H new ATOM 669 N LYS A 42 -0.106 -46.784 1.583 1.00 0.00 N ATOM 670 CA LYS A 42 -0.952 -47.154 2.724 1.00 0.00 C ATOM 671 C LYS A 42 -0.837 -48.611 3.223 1.00 0.00 C ATOM 672 O LYS A 42 -1.602 -49.003 4.107 1.00 0.00 O ATOM 673 CB LYS A 42 -2.433 -46.851 2.339 1.00 0.00 C ATOM 674 CG LYS A 42 -2.872 -45.387 2.553 1.00 0.00 C ATOM 675 CD LYS A 42 -3.169 -45.074 4.039 1.00 0.00 C ATOM 676 CE LYS A 42 -3.614 -43.630 4.289 1.00 0.00 C ATOM 677 NZ LYS A 42 -2.467 -42.743 4.136 1.00 0.00 N ATOM 0 H LYS A 42 -0.540 -47.032 0.694 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.594 -46.558 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.581 -47.110 1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.085 -47.500 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.090 -44.719 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.762 -45.186 1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.946 -45.751 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.275 -45.276 4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.400 -43.352 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.033 -43.534 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.672 -41.830 4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.633 -43.173 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.277 -42.593 3.125 1.00 0.00 H new ATOM 691 N ILE A 43 0.107 -49.415 2.713 1.00 0.00 N ATOM 692 CA ILE A 43 0.127 -50.878 2.890 1.00 0.00 C ATOM 693 C ILE A 43 0.299 -51.340 4.358 1.00 0.00 C ATOM 694 O ILE A 43 -0.357 -52.302 4.768 1.00 0.00 O ATOM 695 CB ILE A 43 1.178 -51.507 1.904 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.790 -51.197 0.424 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.333 -53.042 2.087 1.00 0.00 C ATOM 698 CD1 ILE A 43 1.923 -51.426 -0.603 1.00 0.00 C ATOM 0 H ILE A 43 0.889 -49.065 2.159 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.861 -51.258 2.631 1.00 0.00 H new ATOM 0 HB ILE A 43 2.138 -51.049 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.062 -51.818 0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.463 -50.159 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.071 -53.420 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.662 -53.256 3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.375 -53.529 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.562 -51.185 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.770 -50.785 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.237 -52.469 -0.572 1.00 0.00 H new ATOM 710 N GLY A 44 1.135 -50.685 5.179 1.00 0.00 N ATOM 711 CA GLY A 44 1.215 -50.996 6.615 1.00 0.00 C ATOM 712 C GLY A 44 2.263 -50.208 7.433 1.00 0.00 C ATOM 713 O GLY A 44 3.110 -49.547 6.825 1.00 0.00 O ATOM 0 H GLY A 44 1.762 -49.940 4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.234 -50.820 7.057 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.427 -52.060 6.723 1.00 0.00 H new ATOM 717 N PRO A 45 2.260 -50.249 8.793 1.00 0.00 N ATOM 718 CA PRO A 45 3.277 -49.622 9.669 1.00 0.00 C ATOM 719 C PRO A 45 4.746 -49.985 9.366 1.00 0.00 C ATOM 720 O PRO A 45 5.611 -49.108 9.286 1.00 0.00 O ATOM 721 CB PRO A 45 2.880 -50.103 11.076 1.00 0.00 C ATOM 722 CG PRO A 45 1.376 -50.187 10.972 1.00 0.00 C ATOM 723 CD PRO A 45 1.180 -50.831 9.603 1.00 0.00 C ATOM 0 HA PRO A 45 3.269 -48.541 9.528 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.326 -51.068 11.317 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.196 -49.403 11.850 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.946 -50.791 11.771 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.909 -49.204 11.030 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.258 -51.917 9.655 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.199 -50.601 9.188 1.00 0.00 H new ATOM 731 N LYS A 46 5.013 -51.287 9.179 1.00 0.00 N ATOM 732 CA LYS A 46 6.329 -51.803 8.794 1.00 0.00 C ATOM 733 C LYS A 46 6.742 -51.352 7.373 1.00 0.00 C ATOM 734 O LYS A 46 7.928 -51.140 7.107 1.00 0.00 O ATOM 735 CB LYS A 46 6.312 -53.349 8.938 1.00 0.00 C ATOM 736 CG LYS A 46 7.737 -53.956 8.955 1.00 0.00 C ATOM 737 CD LYS A 46 7.788 -55.499 9.027 1.00 0.00 C ATOM 738 CE LYS A 46 7.315 -56.097 10.351 1.00 0.00 C ATOM 739 NZ LYS A 46 7.492 -57.539 10.254 1.00 0.00 N ATOM 0 H LYS A 46 4.310 -52.017 9.293 1.00 0.00 H new ATOM 0 HA LYS A 46 7.087 -51.388 9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.794 -53.620 9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.745 -53.782 8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.265 -53.631 8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.279 -53.549 9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.176 -55.906 8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.812 -55.823 8.844 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.890 -55.693 11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.270 -55.848 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.180 -57.987 11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.926 -57.906 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.496 -57.755 10.091 1.00 0.00 H new ATOM 753 N CYS A 47 5.751 -51.164 6.485 1.00 0.00 N ATOM 754 CA CYS A 47 5.945 -50.589 5.155 1.00 0.00 C ATOM 755 C CYS A 47 6.382 -49.116 5.231 1.00 0.00 C ATOM 756 O CYS A 47 7.441 -48.810 4.681 1.00 0.00 O ATOM 757 CB CYS A 47 4.655 -50.751 4.318 1.00 0.00 C ATOM 758 SG CYS A 47 4.682 -49.995 2.672 1.00 0.00 S ATOM 0 H CYS A 47 4.781 -51.413 6.680 1.00 0.00 H new ATOM 0 HA CYS A 47 6.751 -51.132 4.662 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.449 -51.815 4.205 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.824 -50.324 4.880 1.00 0.00 H new ATOM 763 N VAL A 48 5.619 -48.198 5.864 1.00 0.00 N ATOM 764 CA VAL A 48 6.089 -46.825 6.128 1.00 0.00 C ATOM 765 C VAL A 48 7.454 -46.726 6.838 1.00 0.00 C ATOM 766 O VAL A 48 8.239 -45.827 6.527 1.00 0.00 O ATOM 767 CB VAL A 48 5.061 -45.891 6.859 1.00 0.00 C ATOM 768 CG1 VAL A 48 4.687 -44.732 5.941 1.00 0.00 C ATOM 769 CG2 VAL A 48 3.743 -46.533 7.288 1.00 0.00 C ATOM 0 H VAL A 48 4.675 -48.386 6.201 1.00 0.00 H new ATOM 0 HA VAL A 48 6.209 -46.455 5.110 1.00 0.00 H new ATOM 0 HB VAL A 48 5.585 -45.596 7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.973 -44.082 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.582 -44.162 5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.238 -45.122 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.119 -45.788 7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.223 -46.918 6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.945 -47.352 7.979 1.00 0.00 H new ATOM 779 N LYS A 49 7.744 -47.621 7.797 1.00 0.00 N ATOM 780 CA LYS A 49 9.085 -47.731 8.391 1.00 0.00 C ATOM 781 C LYS A 49 10.216 -48.097 7.405 1.00 0.00 C ATOM 782 O LYS A 49 11.207 -47.359 7.342 1.00 0.00 O ATOM 783 CB LYS A 49 9.067 -48.661 9.630 1.00 0.00 C ATOM 784 CG LYS A 49 9.001 -47.895 10.976 1.00 0.00 C ATOM 785 CD LYS A 49 10.390 -47.466 11.532 1.00 0.00 C ATOM 786 CE LYS A 49 10.689 -45.960 11.547 1.00 0.00 C ATOM 787 NZ LYS A 49 11.234 -45.539 10.260 1.00 0.00 N ATOM 0 H LYS A 49 7.065 -48.280 8.178 1.00 0.00 H new ATOM 0 HA LYS A 49 9.338 -46.721 8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.210 -49.331 9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.961 -49.285 9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.383 -47.006 10.846 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.504 -48.523 11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.480 -47.841 12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.161 -47.961 10.941 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.777 -45.403 11.763 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.398 -45.731 12.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.809 -44.682 10.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.828 -46.298 9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.454 -45.336 9.602 1.00 0.00 H new ATOM 801 N ALA A 50 10.076 -49.193 6.633 1.00 0.00 N ATOM 802 CA ALA A 50 10.968 -49.537 5.511 1.00 0.00 C ATOM 803 C ALA A 50 11.090 -48.356 4.516 1.00 0.00 C ATOM 804 O ALA A 50 12.204 -47.927 4.200 1.00 0.00 O ATOM 805 CB ALA A 50 10.385 -50.808 4.836 1.00 0.00 C ATOM 0 H ALA A 50 9.329 -49.873 6.775 1.00 0.00 H new ATOM 0 HA ALA A 50 11.979 -49.736 5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.018 -51.097 3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.349 -51.621 5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.378 -50.599 4.475 1.00 0.00 H new ATOM 811 N PHE A 51 9.942 -47.774 4.117 1.00 0.00 N ATOM 812 CA PHE A 51 9.848 -46.600 3.240 1.00 0.00 C ATOM 813 C PHE A 51 10.652 -45.402 3.779 1.00 0.00 C ATOM 814 O PHE A 51 11.527 -44.909 3.066 1.00 0.00 O ATOM 815 CB PHE A 51 8.340 -46.213 3.112 1.00 0.00 C ATOM 816 CG PHE A 51 7.996 -45.407 1.853 1.00 0.00 C ATOM 817 CD1 PHE A 51 8.449 -44.114 1.637 1.00 0.00 C ATOM 818 CD2 PHE A 51 7.295 -46.001 0.821 1.00 0.00 C ATOM 819 CE1 PHE A 51 8.242 -43.465 0.434 1.00 0.00 C ATOM 820 CE2 PHE A 51 7.092 -45.371 -0.370 1.00 0.00 C ATOM 821 CZ PHE A 51 7.567 -44.099 -0.583 1.00 0.00 C ATOM 0 H PHE A 51 9.028 -48.122 4.408 1.00 0.00 H new ATOM 0 HA PHE A 51 10.274 -46.854 2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.742 -47.124 3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.050 -45.634 3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.976 -43.602 2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.896 -46.995 0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.610 -42.460 0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.551 -45.877 -1.156 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.413 -43.606 -1.532 1.00 0.00 H new ATOM 831 N LYS A 52 10.380 -44.925 5.007 1.00 0.00 N ATOM 832 CA LYS A 52 11.093 -43.784 5.586 1.00 0.00 C ATOM 833 C LYS A 52 12.594 -44.012 5.868 1.00 0.00 C ATOM 834 O LYS A 52 13.371 -43.063 5.712 1.00 0.00 O ATOM 835 CB LYS A 52 10.357 -43.186 6.814 1.00 0.00 C ATOM 836 CG LYS A 52 9.359 -42.088 6.382 1.00 0.00 C ATOM 837 CD LYS A 52 8.741 -41.356 7.592 1.00 0.00 C ATOM 838 CE LYS A 52 7.889 -40.143 7.193 1.00 0.00 C ATOM 839 NZ LYS A 52 8.760 -39.051 6.765 1.00 0.00 N ATOM 0 H LYS A 52 9.665 -45.319 5.618 1.00 0.00 H new ATOM 0 HA LYS A 52 11.078 -43.040 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.826 -43.976 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.084 -42.768 7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.869 -41.366 5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.564 -42.536 5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.124 -42.056 8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.540 -41.028 8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.207 -40.414 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.276 -39.824 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.197 -38.186 6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.492 -38.888 7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.212 -39.301 5.863 1.00 0.00 H new ATOM 853 N ASP A 53 13.060 -45.209 6.265 1.00 0.00 N ATOM 854 CA ASP A 53 14.503 -45.454 6.396 1.00 0.00 C ATOM 855 C ASP A 53 15.244 -45.502 5.036 1.00 0.00 C ATOM 856 O ASP A 53 16.316 -44.891 4.881 1.00 0.00 O ATOM 857 CB ASP A 53 14.741 -46.689 7.306 1.00 0.00 C ATOM 858 CG ASP A 53 14.545 -46.307 8.772 1.00 0.00 C ATOM 859 OD1 ASP A 53 15.479 -45.757 9.358 1.00 0.00 O ATOM 860 OD2 ASP A 53 13.462 -46.514 9.321 1.00 0.00 O ATOM 0 H ASP A 53 12.469 -46.008 6.497 1.00 0.00 H new ATOM 0 HA ASP A 53 14.959 -44.596 6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.051 -47.488 7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.750 -47.073 7.154 1.00 0.00 H new ATOM 865 N CYS A 54 14.685 -46.189 4.028 1.00 0.00 N ATOM 866 CA CYS A 54 15.170 -46.065 2.650 1.00 0.00 C ATOM 867 C CYS A 54 15.011 -44.645 2.045 1.00 0.00 C ATOM 868 O CYS A 54 15.840 -44.263 1.215 1.00 0.00 O ATOM 869 CB CYS A 54 14.519 -47.138 1.770 1.00 0.00 C ATOM 870 SG CYS A 54 15.310 -48.775 1.712 1.00 0.00 S ATOM 0 H CYS A 54 13.901 -46.832 4.143 1.00 0.00 H new ATOM 0 HA CYS A 54 16.247 -46.229 2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.492 -47.273 2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.470 -46.753 0.752 1.00 0.00 H new ATOM 875 N CYS A 55 13.984 -43.854 2.416 1.00 0.00 N ATOM 876 CA CYS A 55 13.931 -42.402 2.161 1.00 0.00 C ATOM 877 C CYS A 55 15.136 -41.649 2.759 1.00 0.00 C ATOM 878 O CYS A 55 15.669 -40.765 2.091 1.00 0.00 O ATOM 879 CB CYS A 55 12.612 -41.801 2.711 1.00 0.00 C ATOM 880 SG CYS A 55 12.373 -40.015 2.488 1.00 0.00 S ATOM 0 H CYS A 55 13.162 -44.209 2.905 1.00 0.00 H new ATOM 0 HA CYS A 55 13.970 -42.274 1.079 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.778 -42.318 2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.557 -42.021 3.777 1.00 0.00 H new ATOM 885 N TYR A 56 15.583 -41.955 3.989 1.00 0.00 N ATOM 886 CA TYR A 56 16.853 -41.434 4.516 1.00 0.00 C ATOM 887 C TYR A 56 18.083 -41.819 3.668 1.00 0.00 C ATOM 888 O TYR A 56 18.942 -40.957 3.459 1.00 0.00 O ATOM 889 CB TYR A 56 17.045 -41.828 6.001 1.00 0.00 C ATOM 890 CG TYR A 56 16.319 -40.838 6.925 1.00 0.00 C ATOM 891 CD1 TYR A 56 14.947 -40.873 7.114 1.00 0.00 C ATOM 892 CD2 TYR A 56 17.025 -39.859 7.604 1.00 0.00 C ATOM 893 CE1 TYR A 56 14.303 -39.973 7.940 1.00 0.00 C ATOM 894 CE2 TYR A 56 16.391 -38.955 8.432 1.00 0.00 C ATOM 895 CZ TYR A 56 15.031 -39.012 8.598 1.00 0.00 C ATOM 896 OH TYR A 56 14.423 -38.112 9.410 1.00 0.00 O ATOM 0 H TYR A 56 15.081 -42.562 4.637 1.00 0.00 H new ATOM 0 HA TYR A 56 16.780 -40.348 4.451 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.663 -42.835 6.167 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.108 -41.846 6.243 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.365 -41.625 6.601 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.097 -39.802 7.483 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.232 -40.025 8.068 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.967 -38.202 8.950 1.00 0.00 H new ATOM 0 HH TYR A 56 15.095 -37.509 9.791 1.00 0.00 H new ATOM 906 N ILE A 57 18.188 -43.063 3.164 1.00 0.00 N ATOM 907 CA ILE A 57 19.204 -43.403 2.137 1.00 0.00 C ATOM 908 C ILE A 57 19.085 -42.572 0.846 1.00 0.00 C ATOM 909 O ILE A 57 20.079 -42.025 0.359 1.00 0.00 O ATOM 910 CB ILE A 57 19.203 -44.936 1.798 1.00 0.00 C ATOM 911 CG1 ILE A 57 19.447 -45.831 3.029 1.00 0.00 C ATOM 912 CG2 ILE A 57 20.177 -45.364 0.664 1.00 0.00 C ATOM 913 CD1 ILE A 57 20.646 -45.418 3.895 1.00 0.00 C ATOM 0 H ILE A 57 17.593 -43.843 3.443 1.00 0.00 H new ATOM 0 HA ILE A 57 20.160 -43.143 2.591 1.00 0.00 H new ATOM 0 HB ILE A 57 18.189 -45.092 1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.550 -45.826 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.596 -46.857 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 57 20.101 -46.440 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.915 -44.843 -0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.199 -45.110 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.740 -46.104 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.556 -45.452 3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.494 -44.405 4.268 1.00 0.00 H new ATOM 925 N ALA A 58 17.869 -42.480 0.304 1.00 0.00 N ATOM 926 CA ALA A 58 17.560 -41.618 -0.846 1.00 0.00 C ATOM 927 C ALA A 58 17.902 -40.129 -0.608 1.00 0.00 C ATOM 928 O ALA A 58 18.433 -39.469 -1.504 1.00 0.00 O ATOM 929 CB ALA A 58 16.085 -41.774 -1.209 1.00 0.00 C ATOM 0 H ALA A 58 17.065 -43.003 0.650 1.00 0.00 H new ATOM 0 HA ALA A 58 18.192 -41.943 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.851 -41.137 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.882 -42.813 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.468 -41.483 -0.358 1.00 0.00 H new ATOM 935 N ASN A 59 17.615 -39.609 0.599 1.00 0.00 N ATOM 936 CA ASN A 59 18.010 -38.269 1.039 1.00 0.00 C ATOM 937 C ASN A 59 19.539 -38.066 1.089 1.00 0.00 C ATOM 938 O ASN A 59 20.013 -36.968 0.786 1.00 0.00 O ATOM 939 CB ASN A 59 17.355 -37.947 2.407 1.00 0.00 C ATOM 940 CG ASN A 59 17.330 -36.440 2.663 1.00 0.00 C ATOM 941 OD1 ASN A 59 16.337 -35.774 2.391 1.00 0.00 O ATOM 942 ND2 ASN A 59 18.393 -35.841 3.164 1.00 0.00 N ATOM 0 H ASN A 59 17.091 -40.124 1.307 1.00 0.00 H new ATOM 0 HA ASN A 59 17.646 -37.567 0.289 1.00 0.00 H new ATOM 0 HB2 ASN A 59 16.338 -38.340 2.429 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.906 -38.446 3.204 1.00 0.00 H new ATOM 0 HD21 ASN A 59 18.384 -34.833 3.322 1.00 0.00 H new ATOM 0 HD22 ASN A 59 19.224 -36.386 3.394 1.00 0.00 H new ATOM 949 N GLN A 60 20.314 -39.082 1.497 1.00 0.00 N ATOM 950 CA GLN A 60 21.774 -39.074 1.348 1.00 0.00 C ATOM 951 C GLN A 60 22.221 -39.072 -0.129 1.00 0.00 C ATOM 952 O GLN A 60 23.096 -38.283 -0.489 1.00 0.00 O ATOM 953 CB GLN A 60 22.392 -40.278 2.101 1.00 0.00 C ATOM 954 CG GLN A 60 22.211 -40.185 3.640 1.00 0.00 C ATOM 955 CD GLN A 60 22.726 -41.440 4.344 1.00 0.00 C ATOM 956 OE1 GLN A 60 21.961 -42.234 4.876 1.00 0.00 O ATOM 957 NE2 GLN A 60 24.020 -41.686 4.396 1.00 0.00 N ATOM 0 H GLN A 60 19.948 -39.926 1.937 1.00 0.00 H new ATOM 0 HA GLN A 60 22.138 -38.145 1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.934 -41.199 1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 60 23.455 -40.339 1.868 1.00 0.00 H new ATOM 0 HG2 GLN A 60 22.743 -39.311 4.017 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.156 -40.042 3.875 1.00 0.00 H new ATOM 0 HE21 GLN A 60 24.680 -41.041 3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 60 24.362 -42.521 4.871 1.00 0.00 H new ATOM 966 N VAL A 61 21.627 -39.921 -0.986 1.00 0.00 N ATOM 967 CA VAL A 61 21.922 -39.977 -2.429 1.00 0.00 C ATOM 968 C VAL A 61 21.544 -38.687 -3.194 1.00 0.00 C ATOM 969 O VAL A 61 22.351 -38.230 -4.007 1.00 0.00 O ATOM 970 CB VAL A 61 21.272 -41.253 -3.067 1.00 0.00 C ATOM 971 CG1 VAL A 61 21.478 -41.384 -4.595 1.00 0.00 C ATOM 972 CG2 VAL A 61 21.834 -42.546 -2.437 1.00 0.00 C ATOM 0 H VAL A 61 20.920 -40.596 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 61 23.005 -40.050 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 61 20.208 -41.127 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 61 20.996 -42.295 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 61 21.039 -40.521 -5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 61 22.544 -41.429 -4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 61 21.362 -43.412 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 61 22.911 -42.590 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.625 -42.550 -1.367 1.00 0.00 H new ATOM 982 N ARG A 62 20.363 -38.071 -2.987 1.00 0.00 N ATOM 983 CA ARG A 62 20.024 -36.787 -3.627 1.00 0.00 C ATOM 984 C ARG A 62 20.858 -35.583 -3.125 1.00 0.00 C ATOM 985 O ARG A 62 20.926 -34.564 -3.813 1.00 0.00 O ATOM 986 CB ARG A 62 18.491 -36.509 -3.599 1.00 0.00 C ATOM 987 CG ARG A 62 17.891 -36.198 -2.211 1.00 0.00 C ATOM 988 CD ARG A 62 16.356 -36.231 -2.222 1.00 0.00 C ATOM 989 NE ARG A 62 15.857 -36.009 -0.863 1.00 0.00 N ATOM 990 CZ ARG A 62 14.604 -36.009 -0.512 1.00 0.00 C ATOM 991 NH1 ARG A 62 13.631 -36.075 -1.338 1.00 0.00 N ATOM 992 NH2 ARG A 62 14.319 -35.894 0.723 1.00 0.00 N ATOM 0 H ARG A 62 19.630 -38.442 -2.383 1.00 0.00 H new ATOM 0 HA ARG A 62 20.314 -36.901 -4.672 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.281 -35.669 -4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.976 -37.377 -4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 62 18.263 -36.922 -1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.229 -35.215 -1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.969 -35.464 -2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.004 -37.192 -2.598 1.00 0.00 H new ATOM 0 HE ARG A 62 16.548 -35.841 -0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.815 -36.132 -2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.670 -36.071 -0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.065 -35.805 1.412 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.344 -35.891 1.023 1.00 0.00 H new ATOM 1006 N ALA A 63 21.477 -35.663 -1.937 1.00 0.00 N ATOM 1007 CA ALA A 63 22.502 -34.710 -1.505 1.00 0.00 C ATOM 1008 C ALA A 63 23.912 -35.082 -2.012 1.00 0.00 C ATOM 1009 O ALA A 63 24.546 -34.283 -2.706 1.00 0.00 O ATOM 1010 CB ALA A 63 22.465 -34.605 0.033 1.00 0.00 C ATOM 0 H ALA A 63 21.278 -36.392 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 63 22.278 -33.739 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 63 23.224 -33.898 0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 63 21.481 -34.259 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 63 22.663 -35.584 0.469 1.00 0.00 H new ATOM 1016 N GLU A 64 24.429 -36.285 -1.717 1.00 0.00 N ATOM 1017 CA GLU A 64 25.766 -36.704 -2.150 1.00 0.00 C ATOM 1018 C GLU A 64 25.718 -37.441 -3.509 1.00 0.00 C ATOM 1019 O GLU A 64 25.990 -38.638 -3.633 1.00 0.00 O ATOM 1020 CB GLU A 64 26.434 -37.565 -1.034 1.00 0.00 C ATOM 1021 CG GLU A 64 26.573 -36.871 0.362 1.00 0.00 C ATOM 1022 CD GLU A 64 27.417 -35.594 0.342 1.00 0.00 C ATOM 1023 OE1 GLU A 64 28.631 -35.687 0.172 1.00 0.00 O ATOM 1024 OE2 GLU A 64 26.845 -34.521 0.519 1.00 0.00 O ATOM 0 H GLU A 64 23.932 -36.991 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 64 26.380 -35.817 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 64 25.854 -38.479 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 64 27.427 -37.861 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 64 25.578 -36.631 0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 64 27.017 -37.577 1.064 1.00 0.00 H new