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 56 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 60 GLN : amide:sc= 0 X(o=0,f=0.045) USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= 2.39 (180deg=1.38) USER MOD Single : A 13 TYR OH : rot 20:sc= 0.307 USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 1.03 (180deg=0.984) 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+ 140:sc= 1.22 (180deg=0.63) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.25) USER MOD Single : A 33 THR OG1 : rot 106:sc= 0.71 USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= 1.04 (180deg=0.93) USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 1.06 (180deg=0.924) USER MOD Single : A 49 LYS NZ :NH3+ -139:sc= 1.17 (180deg=0.917) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= 1.25 (180deg=0.936) USER MOD Single : A 59 ASN : amide:sc=-0.00596 X(o=-0.006,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 17.787 -49.112 3.429 1.00 0.00 N ATOM 101 CA ILE A 6 17.672 -49.664 2.059 1.00 0.00 C ATOM 102 C ILE A 6 18.178 -51.106 2.020 1.00 0.00 C ATOM 103 O ILE A 6 17.440 -51.980 1.565 1.00 0.00 O ATOM 104 CB ILE A 6 18.408 -48.893 0.906 1.00 0.00 C ATOM 105 CG1 ILE A 6 17.970 -47.436 0.809 1.00 0.00 C ATOM 106 CG2 ILE A 6 18.232 -49.543 -0.514 1.00 0.00 C ATOM 107 CD1 ILE A 6 18.913 -46.504 1.574 1.00 0.00 C ATOM 0 HA ILE A 6 16.605 -49.567 1.858 1.00 0.00 H new ATOM 0 HB ILE A 6 19.459 -48.955 1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.935 -47.137 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 6 16.959 -47.334 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.770 -48.951 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.630 -50.558 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.173 -49.572 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 6 18.564 -45.476 1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.928 -46.786 2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 6 19.919 -46.586 1.162 1.00 0.00 H new ATOM 119 N GLU A 7 19.407 -51.358 2.499 1.00 0.00 N ATOM 120 CA GLU A 7 20.028 -52.678 2.424 1.00 0.00 C ATOM 121 C GLU A 7 19.208 -53.786 3.106 1.00 0.00 C ATOM 122 O GLU A 7 19.263 -54.904 2.609 1.00 0.00 O ATOM 123 CB GLU A 7 21.513 -52.639 2.895 1.00 0.00 C ATOM 124 CG GLU A 7 22.555 -52.238 1.783 1.00 0.00 C ATOM 125 CD GLU A 7 22.538 -50.770 1.329 1.00 0.00 C ATOM 126 OE1 GLU A 7 21.718 -50.410 0.489 1.00 0.00 O ATOM 127 OE2 GLU A 7 23.393 -50.004 1.779 1.00 0.00 O ATOM 0 H GLU A 7 19.991 -50.651 2.946 1.00 0.00 H new ATOM 0 HA GLU A 7 20.035 -52.954 1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 7 21.598 -51.934 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 7 21.781 -53.621 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 7 23.554 -52.470 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 7 22.383 -52.868 0.910 1.00 0.00 H new ATOM 134 N GLU A 8 18.424 -53.574 4.177 1.00 0.00 N ATOM 135 CA GLU A 8 17.468 -54.594 4.626 1.00 0.00 C ATOM 136 C GLU A 8 16.096 -54.565 3.909 1.00 0.00 C ATOM 137 O GLU A 8 15.639 -55.653 3.545 1.00 0.00 O ATOM 138 CB GLU A 8 17.352 -54.629 6.170 1.00 0.00 C ATOM 139 CG GLU A 8 16.655 -53.413 6.849 1.00 0.00 C ATOM 140 CD GLU A 8 16.596 -53.561 8.370 1.00 0.00 C ATOM 141 OE1 GLU A 8 15.700 -54.255 8.860 1.00 0.00 O ATOM 142 OE2 GLU A 8 17.441 -52.976 9.055 1.00 0.00 O ATOM 0 H GLU A 8 18.434 -52.722 4.737 1.00 0.00 H new ATOM 0 HA GLU A 8 17.895 -55.546 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.809 -55.532 6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 8 18.356 -54.720 6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.192 -52.499 6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.644 -53.309 6.456 1.00 0.00 H new ATOM 149 N GLU A 9 15.405 -53.431 3.649 1.00 0.00 N ATOM 150 CA GLU A 9 14.116 -53.460 2.924 1.00 0.00 C ATOM 151 C GLU A 9 14.256 -53.354 1.391 1.00 0.00 C ATOM 152 O GLU A 9 13.307 -53.014 0.687 1.00 0.00 O ATOM 153 CB GLU A 9 13.145 -52.398 3.495 1.00 0.00 C ATOM 154 CG GLU A 9 12.794 -52.557 5.008 1.00 0.00 C ATOM 155 CD GLU A 9 12.242 -53.920 5.428 1.00 0.00 C ATOM 156 OE1 GLU A 9 11.121 -54.279 5.039 1.00 0.00 O ATOM 157 OE2 GLU A 9 12.907 -54.603 6.206 1.00 0.00 O ATOM 0 H GLU A 9 15.713 -52.499 3.926 1.00 0.00 H new ATOM 0 HA GLU A 9 13.689 -54.448 3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.582 -51.411 3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.220 -52.429 2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.692 -52.355 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.063 -51.793 5.273 1.00 0.00 H new ATOM 164 N ALA A 10 15.444 -53.529 0.824 1.00 0.00 N ATOM 165 CA ALA A 10 15.709 -54.512 -0.234 1.00 0.00 C ATOM 166 C ALA A 10 16.072 -55.945 0.228 1.00 0.00 C ATOM 167 O ALA A 10 15.206 -56.810 0.092 1.00 0.00 O ATOM 168 CB ALA A 10 16.719 -53.890 -1.193 1.00 0.00 C ATOM 0 H ALA A 10 16.267 -52.986 1.087 1.00 0.00 H new ATOM 0 HA ALA A 10 14.768 -54.712 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.941 -54.594 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.303 -52.976 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.636 -53.655 -0.653 1.00 0.00 H new ATOM 174 N ALA A 11 17.251 -56.270 0.797 1.00 0.00 N ATOM 175 CA ALA A 11 17.803 -57.641 0.815 1.00 0.00 C ATOM 176 C ALA A 11 17.024 -58.756 1.550 1.00 0.00 C ATOM 177 O ALA A 11 17.355 -59.927 1.340 1.00 0.00 O ATOM 178 CB ALA A 11 19.245 -57.600 1.345 1.00 0.00 C ATOM 0 H ALA A 11 17.850 -55.586 1.259 1.00 0.00 H new ATOM 0 HA ALA A 11 17.724 -57.942 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 11 19.656 -58.609 1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.853 -56.970 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.250 -57.191 2.355 1.00 0.00 H new ATOM 184 N LYS A 12 16.023 -58.481 2.404 1.00 0.00 N ATOM 185 CA LYS A 12 15.127 -59.529 2.917 1.00 0.00 C ATOM 186 C LYS A 12 14.273 -60.180 1.807 1.00 0.00 C ATOM 187 O LYS A 12 14.053 -61.394 1.841 1.00 0.00 O ATOM 188 CB LYS A 12 14.205 -58.967 4.024 1.00 0.00 C ATOM 189 CG LYS A 12 14.936 -58.626 5.333 1.00 0.00 C ATOM 190 CD LYS A 12 13.995 -57.857 6.280 1.00 0.00 C ATOM 191 CE LYS A 12 14.744 -57.337 7.504 1.00 0.00 C ATOM 192 NZ LYS A 12 14.049 -56.148 7.994 1.00 0.00 N ATOM 0 H LYS A 12 15.815 -57.545 2.752 1.00 0.00 H new ATOM 0 HA LYS A 12 15.768 -60.306 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.712 -58.069 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.423 -59.696 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.281 -59.541 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.820 -58.025 5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.542 -57.022 5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.183 -58.510 6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.782 -58.102 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.775 -57.095 7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.704 -55.572 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.706 -55.589 7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.242 -56.436 8.584 1.00 0.00 H new ATOM 206 N TYR A 13 13.789 -59.362 0.853 1.00 0.00 N ATOM 207 CA TYR A 13 12.971 -59.740 -0.315 1.00 0.00 C ATOM 208 C TYR A 13 11.794 -60.731 -0.108 1.00 0.00 C ATOM 209 O TYR A 13 11.357 -61.412 -1.038 1.00 0.00 O ATOM 210 CB TYR A 13 13.928 -60.118 -1.489 1.00 0.00 C ATOM 211 CG TYR A 13 13.800 -59.128 -2.664 1.00 0.00 C ATOM 212 CD1 TYR A 13 14.290 -57.827 -2.612 1.00 0.00 C ATOM 213 CD2 TYR A 13 13.191 -59.520 -3.845 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.185 -56.971 -3.690 1.00 0.00 C ATOM 215 CE2 TYR A 13 13.078 -58.668 -4.926 1.00 0.00 C ATOM 216 CZ TYR A 13 13.578 -57.391 -4.846 1.00 0.00 C ATOM 217 OH TYR A 13 13.473 -56.542 -5.899 1.00 0.00 O ATOM 0 H TYR A 13 13.970 -58.358 0.879 1.00 0.00 H new ATOM 0 HA TYR A 13 12.389 -58.852 -0.561 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.958 -60.129 -1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 13 13.700 -61.126 -1.835 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.764 -57.478 -1.706 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.793 -60.521 -3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.582 -55.969 -3.623 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.597 -59.005 -5.833 1.00 0.00 H new ATOM 0 HH TYR A 13 14.127 -55.819 -5.802 1.00 0.00 H new ATOM 227 N LYS A 14 11.268 -60.811 1.123 1.00 0.00 N ATOM 228 CA LYS A 14 10.054 -61.563 1.456 1.00 0.00 C ATOM 229 C LYS A 14 8.790 -60.790 1.039 1.00 0.00 C ATOM 230 O LYS A 14 7.967 -61.286 0.267 1.00 0.00 O ATOM 231 CB LYS A 14 10.040 -61.909 2.977 1.00 0.00 C ATOM 232 CG LYS A 14 11.326 -62.619 3.480 1.00 0.00 C ATOM 233 CD LYS A 14 11.536 -64.049 2.929 1.00 0.00 C ATOM 234 CE LYS A 14 12.985 -64.527 3.081 1.00 0.00 C ATOM 235 NZ LYS A 14 13.798 -63.926 2.026 1.00 0.00 N ATOM 0 H LYS A 14 11.684 -60.345 1.929 1.00 0.00 H new ATOM 0 HA LYS A 14 10.057 -62.497 0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.900 -60.990 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.181 -62.547 3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.189 -62.011 3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.296 -62.665 4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.872 -64.738 3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.256 -64.074 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.373 -64.247 4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.031 -65.614 3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.797 -64.177 2.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.483 -64.281 1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.694 -62.892 2.054 1.00 0.00 H new ATOM 249 N TYR A 15 8.634 -59.551 1.527 1.00 0.00 N ATOM 250 CA TYR A 15 7.596 -58.636 1.047 1.00 0.00 C ATOM 251 C TYR A 15 8.092 -57.872 -0.201 1.00 0.00 C ATOM 252 O TYR A 15 8.361 -56.660 -0.221 1.00 0.00 O ATOM 253 CB TYR A 15 7.125 -57.704 2.194 1.00 0.00 C ATOM 254 CG TYR A 15 6.644 -58.509 3.413 1.00 0.00 C ATOM 255 CD1 TYR A 15 5.565 -59.374 3.327 1.00 0.00 C ATOM 256 CD2 TYR A 15 7.280 -58.409 4.640 1.00 0.00 C ATOM 257 CE1 TYR A 15 5.138 -60.107 4.417 1.00 0.00 C ATOM 258 CE2 TYR A 15 6.860 -59.139 5.735 1.00 0.00 C ATOM 259 CZ TYR A 15 5.786 -59.989 5.619 1.00 0.00 C ATOM 260 OH TYR A 15 5.356 -60.717 6.680 1.00 0.00 O ATOM 0 H TYR A 15 9.222 -59.159 2.262 1.00 0.00 H new ATOM 0 HA TYR A 15 6.720 -59.204 0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.943 -57.048 2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.317 -57.065 1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.046 -59.477 2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 15 8.125 -57.744 4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.293 -60.773 4.322 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.374 -59.042 6.680 1.00 0.00 H new ATOM 0 HH TYR A 15 5.918 -60.524 7.459 1.00 0.00 H new ATOM 270 N ALA A 16 8.171 -58.692 -1.259 1.00 0.00 N ATOM 271 CA ALA A 16 8.761 -58.349 -2.551 1.00 0.00 C ATOM 272 C ALA A 16 8.166 -57.094 -3.212 1.00 0.00 C ATOM 273 O ALA A 16 8.908 -56.316 -3.805 1.00 0.00 O ATOM 274 CB ALA A 16 8.621 -59.581 -3.468 1.00 0.00 C ATOM 0 H ALA A 16 7.811 -59.646 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 16 9.807 -58.091 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.053 -59.359 -4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.145 -60.427 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.566 -59.829 -3.586 1.00 0.00 H new ATOM 280 N MET A 17 6.853 -56.872 -3.059 1.00 0.00 N ATOM 281 CA MET A 17 6.154 -55.669 -3.519 1.00 0.00 C ATOM 282 C MET A 17 6.619 -54.379 -2.801 1.00 0.00 C ATOM 283 O MET A 17 6.673 -53.313 -3.417 1.00 0.00 O ATOM 284 CB MET A 17 4.634 -55.917 -3.315 1.00 0.00 C ATOM 285 CG MET A 17 3.724 -54.844 -3.957 1.00 0.00 C ATOM 286 SD MET A 17 1.963 -55.185 -3.697 1.00 0.00 S ATOM 287 CE MET A 17 1.565 -56.102 -5.207 1.00 0.00 C ATOM 0 H MET A 17 6.235 -57.541 -2.601 1.00 0.00 H new ATOM 0 HA MET A 17 6.386 -55.499 -4.570 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.377 -56.891 -3.731 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.425 -55.962 -2.246 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.968 -53.867 -3.539 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.927 -54.792 -5.027 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.512 -56.383 -5.195 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.764 -55.475 -6.076 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.180 -57.001 -5.260 1.00 0.00 H new ATOM 297 N LEU A 18 7.006 -54.454 -1.520 1.00 0.00 N ATOM 298 CA LEU A 18 7.417 -53.288 -0.728 1.00 0.00 C ATOM 299 C LEU A 18 8.917 -52.968 -0.894 1.00 0.00 C ATOM 300 O LEU A 18 9.339 -51.808 -0.918 1.00 0.00 O ATOM 301 CB LEU A 18 6.998 -53.506 0.751 1.00 0.00 C ATOM 302 CG LEU A 18 5.477 -53.785 0.927 1.00 0.00 C ATOM 303 CD1 LEU A 18 5.140 -54.116 2.384 1.00 0.00 C ATOM 304 CD2 LEU A 18 4.611 -52.595 0.477 1.00 0.00 C ATOM 0 H LEU A 18 7.043 -55.332 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 18 6.902 -52.402 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.563 -54.343 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.268 -52.624 1.331 1.00 0.00 H new ATOM 0 HG LEU A 18 5.251 -54.642 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.071 -54.306 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.694 -55.002 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.415 -53.275 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.558 -52.837 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.864 -51.716 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.797 -52.388 -0.577 1.00 0.00 H new ATOM 316 N LYS A 19 9.734 -54.014 -1.012 1.00 0.00 N ATOM 317 CA LYS A 19 11.075 -53.927 -1.594 1.00 0.00 C ATOM 318 C LYS A 19 11.077 -53.423 -3.074 1.00 0.00 C ATOM 319 O LYS A 19 11.949 -52.651 -3.491 1.00 0.00 O ATOM 320 CB LYS A 19 11.631 -55.369 -1.472 1.00 0.00 C ATOM 321 CG LYS A 19 12.041 -55.892 -0.055 1.00 0.00 C ATOM 322 CD LYS A 19 11.082 -55.781 1.157 1.00 0.00 C ATOM 323 CE LYS A 19 11.538 -56.640 2.332 1.00 0.00 C ATOM 324 NZ LYS A 19 10.661 -56.389 3.469 1.00 0.00 N ATOM 0 H LYS A 19 9.483 -54.953 -0.704 1.00 0.00 H new ATOM 0 HA LYS A 19 11.688 -53.191 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.879 -56.049 -1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.505 -55.443 -2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.290 -56.947 -0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.960 -55.375 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.018 -54.740 1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.080 -56.085 0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.510 -57.695 2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.570 -56.405 2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.463 -57.285 3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.125 -55.730 4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.768 -55.973 3.134 1.00 0.00 H new ATOM 338 N LYS A 20 10.112 -53.827 -3.918 1.00 0.00 N ATOM 339 CA LYS A 20 9.883 -53.203 -5.231 1.00 0.00 C ATOM 340 C LYS A 20 9.351 -51.749 -5.091 1.00 0.00 C ATOM 341 O LYS A 20 9.638 -50.932 -5.966 1.00 0.00 O ATOM 342 CB LYS A 20 8.926 -54.134 -6.035 1.00 0.00 C ATOM 343 CG LYS A 20 8.879 -54.008 -7.584 1.00 0.00 C ATOM 344 CD LYS A 20 8.029 -52.856 -8.161 1.00 0.00 C ATOM 345 CE LYS A 20 6.524 -52.982 -7.899 1.00 0.00 C ATOM 346 NZ LYS A 20 5.922 -51.737 -8.354 1.00 0.00 N ATOM 0 H LYS A 20 9.471 -54.593 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 20 10.821 -53.102 -5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.191 -55.164 -5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.916 -53.970 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.900 -53.892 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.501 -54.946 -7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.381 -51.915 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.194 -52.803 -9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.106 -53.834 -8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.326 -53.144 -6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.894 -51.771 -8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.327 -50.941 -7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.114 -51.609 -9.368 1.00 0.00 H new ATOM 360 N CYS A 21 8.588 -51.368 -4.043 1.00 0.00 N ATOM 361 CA CYS A 21 8.326 -49.959 -3.686 1.00 0.00 C ATOM 362 C CYS A 21 9.630 -49.163 -3.405 1.00 0.00 C ATOM 363 O CYS A 21 9.728 -48.015 -3.856 1.00 0.00 O ATOM 364 CB CYS A 21 7.329 -49.917 -2.495 1.00 0.00 C ATOM 365 SG CYS A 21 6.504 -48.339 -2.148 1.00 0.00 S ATOM 0 H CYS A 21 8.135 -52.035 -3.418 1.00 0.00 H new ATOM 0 HA CYS A 21 7.872 -49.457 -4.540 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.559 -50.667 -2.675 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.866 -50.221 -1.596 1.00 0.00 H new ATOM 370 N CYS A 22 10.650 -49.748 -2.729 1.00 0.00 N ATOM 371 CA CYS A 22 12.052 -49.265 -2.801 1.00 0.00 C ATOM 372 C CYS A 22 12.460 -49.005 -4.239 1.00 0.00 C ATOM 373 O CYS A 22 12.802 -47.880 -4.597 1.00 0.00 O ATOM 374 CB CYS A 22 13.066 -50.179 -2.059 1.00 0.00 C ATOM 375 SG CYS A 22 14.476 -49.321 -1.291 1.00 0.00 S ATOM 0 H CYS A 22 10.526 -50.560 -2.124 1.00 0.00 H new ATOM 0 HA CYS A 22 12.081 -48.318 -2.263 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.533 -50.730 -1.285 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.451 -50.914 -2.766 1.00 0.00 H new ATOM 380 N TYR A 23 12.359 -50.009 -5.086 1.00 0.00 N ATOM 381 CA TYR A 23 12.849 -49.846 -6.448 1.00 0.00 C ATOM 382 C TYR A 23 12.024 -48.886 -7.351 1.00 0.00 C ATOM 383 O TYR A 23 12.586 -48.267 -8.260 1.00 0.00 O ATOM 384 CB TYR A 23 13.162 -51.251 -6.924 1.00 0.00 C ATOM 385 CG TYR A 23 14.218 -51.945 -6.013 1.00 0.00 C ATOM 386 CD1 TYR A 23 14.966 -51.359 -4.960 1.00 0.00 C ATOM 387 CD2 TYR A 23 14.576 -53.220 -6.399 1.00 0.00 C ATOM 388 CE1 TYR A 23 16.052 -52.027 -4.427 1.00 0.00 C ATOM 389 CE2 TYR A 23 15.652 -53.882 -5.852 1.00 0.00 C ATOM 390 CZ TYR A 23 16.400 -53.277 -4.880 1.00 0.00 C ATOM 391 OH TYR A 23 17.495 -53.917 -4.398 1.00 0.00 O ATOM 0 H TYR A 23 11.956 -50.921 -4.870 1.00 0.00 H new ATOM 0 HA TYR A 23 13.767 -49.261 -6.504 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.247 -51.843 -6.937 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.533 -51.214 -7.948 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.687 -50.390 -4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 23 13.991 -53.717 -7.158 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.634 -51.561 -3.645 1.00 0.00 H new ATOM 0 HE2 TYR A 23 15.905 -54.876 -6.190 1.00 0.00 H new ATOM 0 HH TYR A 23 17.582 -54.790 -4.834 1.00 0.00 H new ATOM 401 N ASP A 24 10.724 -48.684 -7.071 1.00 0.00 N ATOM 402 CA ASP A 24 9.945 -47.532 -7.562 1.00 0.00 C ATOM 403 C ASP A 24 10.396 -46.159 -7.016 1.00 0.00 C ATOM 404 O ASP A 24 10.111 -45.137 -7.647 1.00 0.00 O ATOM 405 CB ASP A 24 8.438 -47.701 -7.229 1.00 0.00 C ATOM 406 CG ASP A 24 7.774 -48.856 -7.972 1.00 0.00 C ATOM 407 OD1 ASP A 24 7.974 -49.012 -9.174 1.00 0.00 O ATOM 408 OD2 ASP A 24 7.002 -49.584 -7.346 1.00 0.00 O ATOM 0 H ASP A 24 10.179 -49.322 -6.492 1.00 0.00 H new ATOM 0 HA ASP A 24 10.125 -47.531 -8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.327 -47.859 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.915 -46.776 -7.471 1.00 0.00 H new ATOM 413 N GLY A 25 10.982 -46.098 -5.811 1.00 0.00 N ATOM 414 CA GLY A 25 11.687 -44.901 -5.319 1.00 0.00 C ATOM 415 C GLY A 25 13.096 -44.709 -5.895 1.00 0.00 C ATOM 416 O GLY A 25 13.545 -43.574 -6.029 1.00 0.00 O ATOM 0 H GLY A 25 10.982 -46.875 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.089 -44.021 -5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.757 -44.957 -4.233 1.00 0.00 H new ATOM 420 N ALA A 26 13.818 -45.797 -6.195 1.00 0.00 N ATOM 421 CA ALA A 26 15.126 -45.737 -6.856 1.00 0.00 C ATOM 422 C ALA A 26 15.063 -45.268 -8.323 1.00 0.00 C ATOM 423 O ALA A 26 15.803 -44.352 -8.695 1.00 0.00 O ATOM 424 CB ALA A 26 15.821 -47.110 -6.756 1.00 0.00 C ATOM 0 H ALA A 26 13.509 -46.746 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 26 15.708 -44.980 -6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.793 -47.063 -7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.958 -47.373 -5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.205 -47.866 -7.242 1.00 0.00 H new ATOM 430 N TYR A 27 14.198 -45.841 -9.176 1.00 0.00 N ATOM 431 CA TYR A 27 14.105 -45.443 -10.590 1.00 0.00 C ATOM 432 C TYR A 27 13.312 -44.129 -10.826 1.00 0.00 C ATOM 433 O TYR A 27 12.317 -44.085 -11.556 1.00 0.00 O ATOM 434 CB TYR A 27 13.543 -46.638 -11.417 1.00 0.00 C ATOM 435 CG TYR A 27 14.548 -47.800 -11.483 1.00 0.00 C ATOM 436 CD1 TYR A 27 15.556 -47.831 -12.432 1.00 0.00 C ATOM 437 CD2 TYR A 27 14.482 -48.860 -10.595 1.00 0.00 C ATOM 438 CE1 TYR A 27 16.462 -48.873 -12.493 1.00 0.00 C ATOM 439 CE2 TYR A 27 15.382 -49.906 -10.647 1.00 0.00 C ATOM 440 CZ TYR A 27 16.371 -49.911 -11.596 1.00 0.00 C ATOM 441 OH TYR A 27 17.248 -50.945 -11.636 1.00 0.00 O ATOM 0 H TYR A 27 13.551 -46.584 -8.910 1.00 0.00 H new ATOM 0 HA TYR A 27 15.111 -45.205 -10.936 1.00 0.00 H new ATOM 0 HB2 TYR A 27 12.612 -46.986 -10.969 1.00 0.00 H new ATOM 0 HB3 TYR A 27 13.305 -46.303 -12.427 1.00 0.00 H new ATOM 0 HD1 TYR A 27 15.636 -47.021 -13.142 1.00 0.00 H new ATOM 0 HD2 TYR A 27 13.707 -48.869 -9.843 1.00 0.00 H new ATOM 0 HE1 TYR A 27 17.239 -48.872 -13.243 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.307 -50.719 -9.941 1.00 0.00 H new ATOM 0 HH TYR A 27 17.032 -51.585 -10.926 1.00 0.00 H new ATOM 451 N ARG A 28 13.772 -43.019 -10.224 1.00 0.00 N ATOM 452 CA ARG A 28 13.093 -41.719 -10.307 1.00 0.00 C ATOM 453 C ARG A 28 13.880 -40.624 -11.058 1.00 0.00 C ATOM 454 O ARG A 28 14.912 -40.120 -10.598 1.00 0.00 O ATOM 455 CB ARG A 28 12.721 -41.235 -8.877 1.00 0.00 C ATOM 456 CG ARG A 28 11.561 -42.036 -8.255 1.00 0.00 C ATOM 457 CD ARG A 28 10.186 -41.653 -8.797 1.00 0.00 C ATOM 458 NE ARG A 28 9.264 -42.727 -8.451 1.00 0.00 N ATOM 459 CZ ARG A 28 7.972 -42.678 -8.590 1.00 0.00 C ATOM 460 NH1 ARG A 28 7.305 -41.674 -9.039 1.00 0.00 N ATOM 461 NH2 ARG A 28 7.337 -43.730 -8.258 1.00 0.00 N ATOM 0 H ARG A 28 14.626 -43.000 -9.666 1.00 0.00 H new ATOM 0 HA ARG A 28 12.197 -41.885 -10.905 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.597 -41.314 -8.233 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.448 -40.180 -8.915 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.729 -43.098 -8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.569 -41.889 -7.175 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.854 -40.709 -8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.225 -41.514 -9.877 1.00 0.00 H new ATOM 0 HE ARG A 28 9.663 -43.585 -8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.792 -40.823 -9.322 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.289 -41.728 -9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.844 -44.543 -7.908 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.321 -43.760 -8.342 1.00 0.00 H new ATOM 475 N ASN A 29 13.327 -40.224 -12.212 1.00 0.00 N ATOM 476 CA ASN A 29 13.888 -39.184 -13.084 1.00 0.00 C ATOM 477 C ASN A 29 13.891 -37.745 -12.505 1.00 0.00 C ATOM 478 O ASN A 29 13.021 -37.316 -11.741 1.00 0.00 O ATOM 479 CB ASN A 29 13.229 -39.251 -14.499 1.00 0.00 C ATOM 480 CG ASN A 29 11.706 -39.380 -14.453 1.00 0.00 C ATOM 481 OD1 ASN A 29 11.158 -40.386 -14.883 1.00 0.00 O ATOM 482 ND2 ASN A 29 10.971 -38.424 -13.926 1.00 0.00 N ATOM 0 H ASN A 29 12.460 -40.623 -12.572 1.00 0.00 H new ATOM 0 HA ASN A 29 14.950 -39.418 -13.165 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.494 -38.353 -15.058 1.00 0.00 H new ATOM 0 HB3 ASN A 29 13.642 -40.100 -15.044 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.957 -38.527 -13.880 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.415 -37.580 -13.564 1.00 0.00 H new ATOM 489 N ASP A 30 14.878 -36.989 -13.004 1.00 0.00 N ATOM 490 CA ASP A 30 15.417 -35.752 -12.419 1.00 0.00 C ATOM 491 C ASP A 30 14.441 -34.585 -12.153 1.00 0.00 C ATOM 492 O ASP A 30 14.728 -33.729 -11.316 1.00 0.00 O ATOM 493 CB ASP A 30 16.587 -35.279 -13.335 1.00 0.00 C ATOM 494 CG ASP A 30 16.156 -35.113 -14.794 1.00 0.00 C ATOM 495 OD1 ASP A 30 16.013 -36.132 -15.470 1.00 0.00 O ATOM 496 OD2 ASP A 30 15.948 -33.983 -15.220 1.00 0.00 O ATOM 0 H ASP A 30 15.348 -37.237 -13.875 1.00 0.00 H new ATOM 0 HA ASP A 30 15.725 -36.023 -11.409 1.00 0.00 H new ATOM 0 HB2 ASP A 30 16.975 -34.330 -12.964 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.402 -36.000 -13.280 1.00 0.00 H new ATOM 501 N ASP A 31 13.310 -34.525 -12.864 1.00 0.00 N ATOM 502 CA ASP A 31 12.259 -33.526 -12.645 1.00 0.00 C ATOM 503 C ASP A 31 11.491 -33.705 -11.314 1.00 0.00 C ATOM 504 O ASP A 31 11.004 -32.729 -10.740 1.00 0.00 O ATOM 505 CB ASP A 31 11.292 -33.546 -13.869 1.00 0.00 C ATOM 506 CG ASP A 31 10.689 -34.929 -14.116 1.00 0.00 C ATOM 507 OD1 ASP A 31 11.407 -35.806 -14.599 1.00 0.00 O ATOM 508 OD2 ASP A 31 9.522 -35.129 -13.795 1.00 0.00 O ATOM 0 H ASP A 31 13.096 -35.178 -13.618 1.00 0.00 H new ATOM 0 HA ASP A 31 12.740 -32.552 -12.556 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.489 -32.827 -13.705 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.832 -33.224 -14.760 1.00 0.00 H new ATOM 513 N GLU A 32 11.355 -34.952 -10.840 1.00 0.00 N ATOM 514 CA GLU A 32 10.673 -35.272 -9.586 1.00 0.00 C ATOM 515 C GLU A 32 11.494 -34.920 -8.325 1.00 0.00 C ATOM 516 O GLU A 32 12.559 -35.494 -8.068 1.00 0.00 O ATOM 517 CB GLU A 32 10.283 -36.769 -9.605 1.00 0.00 C ATOM 518 CG GLU A 32 9.151 -37.068 -10.634 1.00 0.00 C ATOM 519 CD GLU A 32 8.916 -38.569 -10.804 1.00 0.00 C ATOM 520 OE1 GLU A 32 8.203 -39.166 -9.993 1.00 0.00 O ATOM 521 OE2 GLU A 32 9.466 -39.136 -11.745 1.00 0.00 O ATOM 0 H GLU A 32 11.720 -35.772 -11.324 1.00 0.00 H new ATOM 0 HA GLU A 32 9.781 -34.649 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.160 -37.368 -9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.956 -37.071 -8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.227 -36.591 -10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.411 -36.630 -11.598 1.00 0.00 H new ATOM 528 N THR A 33 11.010 -33.962 -7.523 1.00 0.00 N ATOM 529 CA THR A 33 11.536 -33.677 -6.184 1.00 0.00 C ATOM 530 C THR A 33 10.950 -34.695 -5.184 1.00 0.00 C ATOM 531 O THR A 33 9.811 -34.606 -4.710 1.00 0.00 O ATOM 532 CB THR A 33 11.289 -32.191 -5.771 1.00 0.00 C ATOM 533 OG1 THR A 33 10.002 -31.707 -6.161 1.00 0.00 O ATOM 534 CG2 THR A 33 12.284 -31.247 -6.434 1.00 0.00 C ATOM 0 H THR A 33 10.233 -33.357 -7.790 1.00 0.00 H new ATOM 0 HA THR A 33 12.620 -33.794 -6.184 1.00 0.00 H new ATOM 0 HB THR A 33 11.389 -32.199 -4.686 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.424 -31.643 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.078 -30.223 -6.121 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.297 -31.520 -6.139 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.189 -31.321 -7.517 1.00 0.00 H new ATOM 542 N CYS A 34 11.795 -35.698 -4.918 1.00 0.00 N ATOM 543 CA CYS A 34 11.399 -37.016 -4.412 1.00 0.00 C ATOM 544 C CYS A 34 10.765 -36.983 -3.008 1.00 0.00 C ATOM 545 O CYS A 34 9.700 -37.564 -2.799 1.00 0.00 O ATOM 546 CB CYS A 34 12.661 -37.923 -4.447 1.00 0.00 C ATOM 547 SG CYS A 34 12.401 -39.619 -5.041 1.00 0.00 S ATOM 0 H CYS A 34 12.802 -35.612 -5.053 1.00 0.00 H new ATOM 0 HA CYS A 34 10.610 -37.412 -5.051 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.409 -37.447 -5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 34 13.079 -37.971 -3.441 1.00 0.00 H new ATOM 552 N GLU A 35 11.384 -36.258 -2.066 1.00 0.00 N ATOM 553 CA GLU A 35 10.919 -36.145 -0.681 1.00 0.00 C ATOM 554 C GLU A 35 9.604 -35.350 -0.523 1.00 0.00 C ATOM 555 O GLU A 35 8.836 -35.643 0.392 1.00 0.00 O ATOM 556 CB GLU A 35 12.052 -35.594 0.248 1.00 0.00 C ATOM 557 CG GLU A 35 12.624 -34.153 -0.032 1.00 0.00 C ATOM 558 CD GLU A 35 13.652 -34.056 -1.169 1.00 0.00 C ATOM 559 OE1 GLU A 35 13.344 -34.413 -2.310 1.00 0.00 O ATOM 560 OE2 GLU A 35 14.769 -33.631 -0.888 1.00 0.00 O ATOM 0 H GLU A 35 12.235 -35.726 -2.250 1.00 0.00 H new ATOM 0 HA GLU A 35 10.675 -37.158 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.677 -35.608 1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.886 -36.295 0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.791 -33.489 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.085 -33.780 0.883 1.00 0.00 H new ATOM 567 N GLU A 36 9.316 -34.372 -1.400 1.00 0.00 N ATOM 568 CA GLU A 36 8.030 -33.656 -1.442 1.00 0.00 C ATOM 569 C GLU A 36 6.863 -34.595 -1.811 1.00 0.00 C ATOM 570 O GLU A 36 5.853 -34.721 -1.100 1.00 0.00 O ATOM 571 CB GLU A 36 8.123 -32.476 -2.465 1.00 0.00 C ATOM 572 CG GLU A 36 8.875 -31.205 -1.945 1.00 0.00 C ATOM 573 CD GLU A 36 10.347 -31.437 -1.596 1.00 0.00 C ATOM 574 OE1 GLU A 36 11.109 -31.872 -2.457 1.00 0.00 O ATOM 575 OE2 GLU A 36 10.715 -31.194 -0.451 1.00 0.00 O ATOM 0 H GLU A 36 9.978 -34.053 -2.108 1.00 0.00 H new ATOM 0 HA GLU A 36 7.827 -33.263 -0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.625 -32.834 -3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.113 -32.188 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.813 -30.426 -2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.360 -30.830 -1.061 1.00 0.00 H new ATOM 582 N ARG A 37 7.064 -35.288 -2.940 1.00 0.00 N ATOM 583 CA ARG A 37 6.154 -36.329 -3.398 1.00 0.00 C ATOM 584 C ARG A 37 6.073 -37.485 -2.396 1.00 0.00 C ATOM 585 O ARG A 37 4.956 -37.857 -2.058 1.00 0.00 O ATOM 586 CB ARG A 37 6.546 -36.793 -4.818 1.00 0.00 C ATOM 587 CG ARG A 37 6.166 -35.711 -5.852 1.00 0.00 C ATOM 588 CD ARG A 37 6.864 -35.904 -7.205 1.00 0.00 C ATOM 589 NE ARG A 37 6.752 -34.665 -7.987 1.00 0.00 N ATOM 590 CZ ARG A 37 7.452 -33.576 -7.798 1.00 0.00 C ATOM 591 NH1 ARG A 37 8.257 -33.413 -6.818 1.00 0.00 N ATOM 592 NH2 ARG A 37 7.331 -32.615 -8.623 1.00 0.00 N ATOM 0 H ARG A 37 7.863 -35.138 -3.556 1.00 0.00 H new ATOM 0 HA ARG A 37 5.148 -35.914 -3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.617 -36.990 -4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.040 -37.729 -5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.086 -35.722 -6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.423 -34.729 -5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.913 -36.159 -7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.409 -36.733 -7.747 1.00 0.00 H new ATOM 0 HE ARG A 37 6.068 -34.653 -8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.380 -34.156 -6.130 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.776 -32.540 -6.724 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.696 -32.701 -9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.869 -31.759 -8.491 1.00 0.00 H new ATOM 606 N ALA A 38 7.162 -38.058 -1.867 1.00 0.00 N ATOM 607 CA ALA A 38 7.076 -39.090 -0.835 1.00 0.00 C ATOM 608 C ALA A 38 6.726 -38.625 0.598 1.00 0.00 C ATOM 609 O ALA A 38 6.546 -39.468 1.477 1.00 0.00 O ATOM 610 CB ALA A 38 8.285 -39.997 -0.944 1.00 0.00 C ATOM 0 H ALA A 38 8.115 -37.820 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 38 6.178 -39.671 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.230 -40.770 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.303 -40.463 -1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.193 -39.411 -0.803 1.00 0.00 H new ATOM 616 N ALA A 39 6.623 -37.321 0.899 1.00 0.00 N ATOM 617 CA ALA A 39 5.752 -36.844 1.979 1.00 0.00 C ATOM 618 C ALA A 39 4.254 -37.055 1.659 1.00 0.00 C ATOM 619 O ALA A 39 3.471 -37.426 2.541 1.00 0.00 O ATOM 620 CB ALA A 39 6.055 -35.360 2.261 1.00 0.00 C ATOM 0 H ALA A 39 7.130 -36.583 0.411 1.00 0.00 H new ATOM 0 HA ALA A 39 5.962 -37.433 2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.409 -35.003 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.098 -35.252 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.873 -34.774 1.360 1.00 0.00 H new ATOM 626 N ARG A 40 3.831 -36.803 0.410 1.00 0.00 N ATOM 627 CA ARG A 40 2.468 -37.132 -0.049 1.00 0.00 C ATOM 628 C ARG A 40 2.204 -38.631 -0.371 1.00 0.00 C ATOM 629 O ARG A 40 1.039 -39.030 -0.451 1.00 0.00 O ATOM 630 CB ARG A 40 2.124 -36.258 -1.280 1.00 0.00 C ATOM 631 CG ARG A 40 2.070 -34.743 -0.962 1.00 0.00 C ATOM 632 CD ARG A 40 1.665 -33.898 -2.178 1.00 0.00 C ATOM 633 NE ARG A 40 0.271 -34.193 -2.513 1.00 0.00 N ATOM 634 CZ ARG A 40 -0.396 -33.705 -3.520 1.00 0.00 C ATOM 635 NH1 ARG A 40 0.079 -32.867 -4.363 1.00 0.00 N ATOM 636 NH2 ARG A 40 -1.603 -34.083 -3.678 1.00 0.00 N ATOM 0 H ARG A 40 4.416 -36.370 -0.305 1.00 0.00 H new ATOM 0 HA ARG A 40 1.816 -36.916 0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.866 -36.432 -2.059 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.161 -36.572 -1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.361 -34.571 -0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.047 -34.415 -0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.784 -32.837 -1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.313 -34.122 -3.026 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.224 -34.841 -1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.040 -32.539 -4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.504 -32.528 -5.128 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.019 -34.748 -3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.153 -33.720 -4.456 1.00 0.00 H new ATOM 650 N ILE A 41 3.218 -39.492 -0.574 1.00 0.00 N ATOM 651 CA ILE A 41 3.059 -40.928 -0.887 1.00 0.00 C ATOM 652 C ILE A 41 2.747 -41.793 0.355 1.00 0.00 C ATOM 653 O ILE A 41 3.487 -42.617 0.883 1.00 0.00 O ATOM 654 CB ILE A 41 4.167 -41.514 -1.845 1.00 0.00 C ATOM 655 CG1 ILE A 41 4.152 -40.607 -3.112 1.00 0.00 C ATOM 656 CG2 ILE A 41 3.778 -42.955 -2.188 1.00 0.00 C ATOM 657 CD1 ILE A 41 5.135 -40.713 -4.263 1.00 0.00 C ATOM 0 H ILE A 41 4.195 -39.204 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 41 2.155 -40.988 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 41 5.163 -41.527 -1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.161 -40.721 -3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.224 -39.582 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.528 -43.386 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.721 -43.544 -1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.808 -42.962 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.897 -39.961 -5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.147 -40.549 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.068 -41.706 -4.709 1.00 0.00 H new ATOM 669 N LYS A 42 1.491 -41.603 0.715 1.00 0.00 N ATOM 670 CA LYS A 42 0.856 -42.169 1.908 1.00 0.00 C ATOM 671 C LYS A 42 0.073 -43.478 1.645 1.00 0.00 C ATOM 672 O LYS A 42 -0.990 -43.721 2.221 1.00 0.00 O ATOM 673 CB LYS A 42 -0.006 -41.068 2.586 1.00 0.00 C ATOM 674 CG LYS A 42 0.847 -39.969 3.266 1.00 0.00 C ATOM 675 CD LYS A 42 -0.047 -38.941 3.986 1.00 0.00 C ATOM 676 CE LYS A 42 0.724 -37.887 4.792 1.00 0.00 C ATOM 677 NZ LYS A 42 1.361 -36.927 3.896 1.00 0.00 N ATOM 0 H LYS A 42 0.852 -41.027 0.166 1.00 0.00 H new ATOM 0 HA LYS A 42 1.642 -42.481 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.653 -40.608 1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.656 -41.529 3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.531 -40.425 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.458 -39.464 2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.666 -38.434 3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.723 -39.472 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.044 -37.368 5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.479 -38.373 5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.704 -36.114 4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.162 -37.381 3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.671 -36.601 3.189 1.00 0.00 H new ATOM 691 N ILE A 43 0.606 -44.340 0.766 1.00 0.00 N ATOM 692 CA ILE A 43 -0.007 -45.632 0.419 1.00 0.00 C ATOM 693 C ILE A 43 0.158 -46.687 1.536 1.00 0.00 C ATOM 694 O ILE A 43 -0.824 -47.311 1.945 1.00 0.00 O ATOM 695 CB ILE A 43 0.532 -46.126 -0.975 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.128 -45.116 -2.092 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.012 -47.548 -1.338 1.00 0.00 C ATOM 698 CD1 ILE A 43 0.815 -45.337 -3.460 1.00 0.00 C ATOM 0 H ILE A 43 1.480 -44.159 0.273 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.083 -45.485 0.328 1.00 0.00 H new ATOM 0 HB ILE A 43 1.618 -46.182 -0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.952 -45.168 -2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.356 -44.107 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.411 -47.845 -2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.337 -48.259 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.077 -47.537 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.467 -44.584 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.895 -45.253 -3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.567 -46.330 -3.836 1.00 0.00 H new ATOM 710 N GLY A 44 1.377 -46.890 2.055 1.00 0.00 N ATOM 711 CA GLY A 44 1.635 -47.873 3.117 1.00 0.00 C ATOM 712 C GLY A 44 2.902 -47.568 3.945 1.00 0.00 C ATOM 713 O GLY A 44 3.890 -47.206 3.304 1.00 0.00 O ATOM 0 H GLY A 44 2.208 -46.381 1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.774 -47.909 3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.733 -48.862 2.670 1.00 0.00 H new ATOM 717 N PRO A 45 2.981 -47.697 5.298 1.00 0.00 N ATOM 718 CA PRO A 45 4.173 -47.375 6.120 1.00 0.00 C ATOM 719 C PRO A 45 5.520 -47.984 5.672 1.00 0.00 C ATOM 720 O PRO A 45 6.494 -47.246 5.492 1.00 0.00 O ATOM 721 CB PRO A 45 3.784 -47.877 7.522 1.00 0.00 C ATOM 722 CG PRO A 45 2.294 -47.629 7.547 1.00 0.00 C ATOM 723 CD PRO A 45 1.863 -48.099 6.161 1.00 0.00 C ATOM 0 HA PRO A 45 4.383 -46.308 6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.024 -48.932 7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.301 -47.328 8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.801 -48.193 8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.059 -46.577 7.711 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.703 -49.177 6.135 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.929 -47.631 5.851 1.00 0.00 H new ATOM 731 N LYS A 46 5.586 -49.313 5.481 1.00 0.00 N ATOM 732 CA LYS A 46 6.757 -49.989 4.912 1.00 0.00 C ATOM 733 C LYS A 46 7.072 -49.573 3.463 1.00 0.00 C ATOM 734 O LYS A 46 8.253 -49.510 3.105 1.00 0.00 O ATOM 735 CB LYS A 46 6.611 -51.529 4.985 1.00 0.00 C ATOM 736 CG LYS A 46 7.187 -52.156 6.268 1.00 0.00 C ATOM 737 CD LYS A 46 7.256 -53.694 6.104 1.00 0.00 C ATOM 738 CE LYS A 46 7.973 -54.431 7.238 1.00 0.00 C ATOM 739 NZ LYS A 46 9.388 -54.078 7.222 1.00 0.00 N ATOM 0 H LYS A 46 4.824 -49.948 5.719 1.00 0.00 H new ATOM 0 HA LYS A 46 7.596 -49.668 5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.555 -51.787 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.109 -51.972 4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.181 -51.756 6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.563 -51.898 7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.241 -54.082 6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.761 -53.923 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.530 -54.164 8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.854 -55.508 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.903 -54.676 7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.772 -54.227 6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.500 -53.079 7.488 1.00 0.00 H new ATOM 753 N CYS A 47 6.030 -49.272 2.663 1.00 0.00 N ATOM 754 CA CYS A 47 6.177 -48.783 1.291 1.00 0.00 C ATOM 755 C CYS A 47 6.873 -47.415 1.345 1.00 0.00 C ATOM 756 O CYS A 47 8.004 -47.378 0.864 1.00 0.00 O ATOM 757 CB CYS A 47 4.804 -48.709 0.560 1.00 0.00 C ATOM 758 SG CYS A 47 4.753 -48.828 -1.257 1.00 0.00 S ATOM 0 H CYS A 47 5.058 -49.364 2.959 1.00 0.00 H new ATOM 0 HA CYS A 47 6.785 -49.478 0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.178 -49.507 0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.335 -47.766 0.840 1.00 0.00 H new ATOM 763 N VAL A 48 6.312 -46.338 1.951 1.00 0.00 N ATOM 764 CA VAL A 48 7.028 -45.073 2.152 1.00 0.00 C ATOM 765 C VAL A 48 8.419 -45.205 2.768 1.00 0.00 C ATOM 766 O VAL A 48 9.303 -44.528 2.266 1.00 0.00 O ATOM 767 CB VAL A 48 6.303 -43.972 2.989 1.00 0.00 C ATOM 768 CG1 VAL A 48 6.314 -42.697 2.158 1.00 0.00 C ATOM 769 CG2 VAL A 48 4.872 -44.268 3.417 1.00 0.00 C ATOM 0 H VAL A 48 5.357 -46.331 2.308 1.00 0.00 H new ATOM 0 HA VAL A 48 7.082 -44.757 1.110 1.00 0.00 H new ATOM 0 HB VAL A 48 6.852 -43.900 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.815 -41.899 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.344 -42.406 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.791 -42.871 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.482 -43.427 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.253 -44.423 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.855 -45.167 4.034 1.00 0.00 H new ATOM 779 N LYS A 49 8.642 -46.008 3.821 1.00 0.00 N ATOM 780 CA LYS A 49 9.993 -46.221 4.362 1.00 0.00 C ATOM 781 C LYS A 49 11.003 -46.720 3.299 1.00 0.00 C ATOM 782 O LYS A 49 11.947 -45.983 2.987 1.00 0.00 O ATOM 783 CB LYS A 49 9.928 -47.121 5.622 1.00 0.00 C ATOM 784 CG LYS A 49 11.313 -47.368 6.276 1.00 0.00 C ATOM 785 CD LYS A 49 11.710 -48.857 6.219 1.00 0.00 C ATOM 786 CE LYS A 49 13.220 -49.089 6.178 1.00 0.00 C ATOM 787 NZ LYS A 49 13.724 -48.748 4.849 1.00 0.00 N ATOM 0 H LYS A 49 7.908 -46.518 4.312 1.00 0.00 H new ATOM 0 HA LYS A 49 10.387 -45.253 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.266 -46.660 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.486 -48.080 5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.068 -46.770 5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.290 -47.036 7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.296 -49.368 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.257 -49.311 5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.714 -48.479 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.446 -50.130 6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.431 -49.452 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.936 -48.743 4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.164 -47.806 4.876 1.00 0.00 H new ATOM 801 N ALA A 50 10.785 -47.901 2.690 1.00 0.00 N ATOM 802 CA ALA A 50 11.619 -48.429 1.597 1.00 0.00 C ATOM 803 C ALA A 50 11.753 -47.400 0.448 1.00 0.00 C ATOM 804 O ALA A 50 12.866 -47.002 0.099 1.00 0.00 O ATOM 805 CB ALA A 50 10.962 -49.760 1.154 1.00 0.00 C ATOM 0 H ALA A 50 10.017 -48.521 2.947 1.00 0.00 H new ATOM 0 HA ALA A 50 12.643 -48.615 1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.541 -50.199 0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.937 -50.451 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.945 -49.568 0.812 1.00 0.00 H new ATOM 811 N PHE A 51 10.619 -46.868 -0.028 1.00 0.00 N ATOM 812 CA PHE A 51 10.542 -45.860 -1.088 1.00 0.00 C ATOM 813 C PHE A 51 11.290 -44.549 -0.789 1.00 0.00 C ATOM 814 O PHE A 51 12.074 -44.119 -1.638 1.00 0.00 O ATOM 815 CB PHE A 51 9.047 -45.582 -1.254 1.00 0.00 C ATOM 816 CG PHE A 51 8.674 -44.696 -2.431 1.00 0.00 C ATOM 817 CD1 PHE A 51 8.546 -45.239 -3.693 1.00 0.00 C ATOM 818 CD2 PHE A 51 8.145 -43.441 -2.206 1.00 0.00 C ATOM 819 CE1 PHE A 51 7.916 -44.570 -4.712 1.00 0.00 C ATOM 820 CE2 PHE A 51 7.486 -42.782 -3.207 1.00 0.00 C ATOM 821 CZ PHE A 51 7.382 -43.334 -4.468 1.00 0.00 C ATOM 0 H PHE A 51 9.702 -47.138 0.327 1.00 0.00 H new ATOM 0 HA PHE A 51 11.028 -46.243 -1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.527 -46.534 -1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.678 -45.117 -0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.954 -46.220 -3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.252 -42.978 -1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.843 -45.013 -5.694 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.042 -41.818 -3.008 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.882 -42.793 -5.258 1.00 0.00 H new ATOM 831 N LYS A 52 11.081 -43.906 0.376 1.00 0.00 N ATOM 832 CA LYS A 52 11.746 -42.645 0.705 1.00 0.00 C ATOM 833 C LYS A 52 13.276 -42.836 0.869 1.00 0.00 C ATOM 834 O LYS A 52 14.066 -41.953 0.516 1.00 0.00 O ATOM 835 CB LYS A 52 11.173 -41.899 1.957 1.00 0.00 C ATOM 836 CG LYS A 52 11.534 -42.526 3.329 1.00 0.00 C ATOM 837 CD LYS A 52 11.180 -41.659 4.545 1.00 0.00 C ATOM 838 CE LYS A 52 11.648 -42.296 5.866 1.00 0.00 C ATOM 839 NZ LYS A 52 13.109 -42.373 5.910 1.00 0.00 N ATOM 0 H LYS A 52 10.453 -44.247 1.103 1.00 0.00 H new ATOM 0 HA LYS A 52 11.537 -42.004 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.532 -40.870 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.087 -41.859 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.021 -43.484 3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.604 -42.734 3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.638 -40.676 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.101 -41.506 4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.284 -41.709 6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.222 -43.294 5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.422 -42.477 6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.430 -43.193 5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.515 -41.504 5.508 1.00 0.00 H new ATOM 853 N ASP A 53 13.710 -43.991 1.425 1.00 0.00 N ATOM 854 CA ASP A 53 15.139 -44.268 1.592 1.00 0.00 C ATOM 855 C ASP A 53 15.828 -44.553 0.236 1.00 0.00 C ATOM 856 O ASP A 53 16.956 -44.112 -0.023 1.00 0.00 O ATOM 857 CB ASP A 53 15.340 -45.429 2.602 1.00 0.00 C ATOM 858 CG ASP A 53 14.700 -45.229 3.980 1.00 0.00 C ATOM 859 OD1 ASP A 53 14.473 -44.102 4.436 1.00 0.00 O ATOM 860 OD2 ASP A 53 14.434 -46.253 4.609 1.00 0.00 O ATOM 0 H ASP A 53 13.093 -44.732 1.759 1.00 0.00 H new ATOM 0 HA ASP A 53 15.619 -43.378 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.937 -46.342 2.163 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.410 -45.587 2.738 1.00 0.00 H new ATOM 865 N CYS A 54 15.158 -45.305 -0.644 1.00 0.00 N ATOM 866 CA CYS A 54 15.536 -45.381 -2.054 1.00 0.00 C ATOM 867 C CYS A 54 15.417 -44.043 -2.834 1.00 0.00 C ATOM 868 O CYS A 54 16.200 -43.851 -3.767 1.00 0.00 O ATOM 869 CB CYS A 54 14.766 -46.528 -2.721 1.00 0.00 C ATOM 870 SG CYS A 54 15.505 -48.188 -2.619 1.00 0.00 S ATOM 0 H CYS A 54 14.346 -45.872 -0.399 1.00 0.00 H new ATOM 0 HA CYS A 54 16.605 -45.593 -2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.772 -46.572 -2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.634 -46.280 -3.774 1.00 0.00 H new ATOM 875 N CYS A 55 14.490 -43.112 -2.524 1.00 0.00 N ATOM 876 CA CYS A 55 14.575 -41.703 -2.966 1.00 0.00 C ATOM 877 C CYS A 55 15.877 -40.994 -2.537 1.00 0.00 C ATOM 878 O CYS A 55 16.434 -40.213 -3.312 1.00 0.00 O ATOM 879 CB CYS A 55 13.387 -40.841 -2.458 1.00 0.00 C ATOM 880 SG CYS A 55 11.885 -40.780 -3.468 1.00 0.00 S ATOM 0 H CYS A 55 13.663 -43.315 -1.962 1.00 0.00 H new ATOM 0 HA CYS A 55 14.549 -41.777 -4.053 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.109 -41.206 -1.469 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.746 -39.820 -2.332 1.00 0.00 H new ATOM 885 N TYR A 56 16.348 -41.217 -1.298 1.00 0.00 N ATOM 886 CA TYR A 56 17.700 -40.830 -0.872 1.00 0.00 C ATOM 887 C TYR A 56 18.802 -41.451 -1.766 1.00 0.00 C ATOM 888 O TYR A 56 19.715 -40.717 -2.149 1.00 0.00 O ATOM 889 CB TYR A 56 17.840 -41.100 0.667 1.00 0.00 C ATOM 890 CG TYR A 56 19.267 -41.426 1.145 1.00 0.00 C ATOM 891 CD1 TYR A 56 20.171 -40.455 1.543 1.00 0.00 C ATOM 892 CD2 TYR A 56 19.695 -42.740 1.186 1.00 0.00 C ATOM 893 CE1 TYR A 56 21.448 -40.791 1.957 1.00 0.00 C ATOM 894 CE2 TYR A 56 20.964 -43.084 1.594 1.00 0.00 C ATOM 895 CZ TYR A 56 21.841 -42.106 1.978 1.00 0.00 C ATOM 896 OH TYR A 56 23.088 -42.450 2.393 1.00 0.00 O ATOM 0 H TYR A 56 15.801 -41.670 -0.566 1.00 0.00 H new ATOM 0 HA TYR A 56 17.853 -39.761 -1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 56 17.484 -40.223 1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.185 -41.929 0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 56 19.874 -39.417 1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 56 19.012 -43.522 0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 56 22.136 -40.017 2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 56 21.266 -44.121 1.611 1.00 0.00 H new ATOM 0 HH TYR A 56 23.193 -43.423 2.343 1.00 0.00 H new ATOM 906 N ILE A 57 18.749 -42.751 -2.124 1.00 0.00 N ATOM 907 CA ILE A 57 19.620 -43.330 -3.175 1.00 0.00 C ATOM 908 C ILE A 57 19.502 -42.630 -4.537 1.00 0.00 C ATOM 909 O ILE A 57 20.526 -42.298 -5.139 1.00 0.00 O ATOM 910 CB ILE A 57 19.392 -44.878 -3.349 1.00 0.00 C ATOM 911 CG1 ILE A 57 19.694 -45.688 -2.076 1.00 0.00 C ATOM 912 CG2 ILE A 57 20.126 -45.545 -4.549 1.00 0.00 C ATOM 913 CD1 ILE A 57 21.067 -45.397 -1.455 1.00 0.00 C ATOM 0 H ILE A 57 18.110 -43.424 -1.700 1.00 0.00 H new ATOM 0 HA ILE A 57 20.634 -43.158 -2.814 1.00 0.00 H new ATOM 0 HB ILE A 57 18.325 -44.915 -3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.922 -45.481 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.632 -46.750 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 57 19.896 -46.610 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.795 -45.084 -5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.202 -45.408 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.200 -46.009 -0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.850 -45.632 -2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 57 21.128 -44.343 -1.184 1.00 0.00 H new ATOM 925 N ALA A 58 18.274 -42.410 -5.014 1.00 0.00 N ATOM 926 CA ALA A 58 18.014 -41.629 -6.232 1.00 0.00 C ATOM 927 C ALA A 58 18.652 -40.222 -6.186 1.00 0.00 C ATOM 928 O ALA A 58 19.356 -39.844 -7.125 1.00 0.00 O ATOM 929 CB ALA A 58 16.500 -41.533 -6.492 1.00 0.00 C ATOM 0 H ALA A 58 17.429 -42.768 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 58 18.487 -42.159 -7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.322 -40.952 -7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.088 -42.534 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.016 -41.045 -5.646 1.00 0.00 H new ATOM 935 N ASN A 59 18.459 -39.469 -5.090 1.00 0.00 N ATOM 936 CA ASN A 59 19.119 -38.177 -4.871 1.00 0.00 C ATOM 937 C ASN A 59 20.655 -38.283 -4.701 1.00 0.00 C ATOM 938 O ASN A 59 21.371 -37.373 -5.129 1.00 0.00 O ATOM 939 CB ASN A 59 18.455 -37.463 -3.664 1.00 0.00 C ATOM 940 CG ASN A 59 18.726 -35.958 -3.690 1.00 0.00 C ATOM 941 OD1 ASN A 59 17.884 -35.173 -4.102 1.00 0.00 O ATOM 942 ND2 ASN A 59 19.887 -35.490 -3.271 1.00 0.00 N ATOM 0 H ASN A 59 17.837 -39.743 -4.329 1.00 0.00 H new ATOM 0 HA ASN A 59 18.980 -37.580 -5.772 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.380 -37.641 -3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.835 -37.887 -2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.071 -34.487 -3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 59 20.600 -36.131 -2.924 1.00 0.00 H new ATOM 949 N GLN A 60 21.178 -39.343 -4.062 1.00 0.00 N ATOM 950 CA GLN A 60 22.612 -39.663 -4.037 1.00 0.00 C ATOM 951 C GLN A 60 23.183 -39.901 -5.453 1.00 0.00 C ATOM 952 O GLN A 60 24.231 -39.341 -5.776 1.00 0.00 O ATOM 953 CB GLN A 60 22.807 -40.904 -3.126 1.00 0.00 C ATOM 954 CG GLN A 60 24.268 -41.315 -2.807 1.00 0.00 C ATOM 955 CD GLN A 60 24.287 -42.598 -1.971 1.00 0.00 C ATOM 956 OE1 GLN A 60 24.475 -43.693 -2.485 1.00 0.00 O ATOM 957 NE2 GLN A 60 24.093 -42.551 -0.667 1.00 0.00 N ATOM 0 H GLN A 60 20.607 -40.010 -3.542 1.00 0.00 H new ATOM 0 HA GLN A 60 23.167 -38.814 -3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.293 -40.717 -2.183 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.311 -41.752 -3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.821 -41.468 -3.734 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.769 -40.512 -2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.933 -41.655 -0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 60 24.103 -43.411 -0.119 1.00 0.00 H new ATOM 966 N VAL A 61 22.507 -40.690 -6.308 1.00 0.00 N ATOM 967 CA VAL A 61 22.872 -40.868 -7.725 1.00 0.00 C ATOM 968 C VAL A 61 22.785 -39.555 -8.539 1.00 0.00 C ATOM 969 O VAL A 61 23.651 -39.314 -9.384 1.00 0.00 O ATOM 970 CB VAL A 61 22.022 -42.024 -8.359 1.00 0.00 C ATOM 971 CG1 VAL A 61 22.230 -42.230 -9.877 1.00 0.00 C ATOM 972 CG2 VAL A 61 22.345 -43.378 -7.690 1.00 0.00 C ATOM 0 H VAL A 61 21.685 -41.227 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 61 23.922 -41.157 -7.764 1.00 0.00 H new ATOM 0 HB VAL A 61 20.993 -41.707 -8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 61 21.600 -43.050 -10.223 1.00 0.00 H new ATOM 0 HG12 VAL A 61 21.961 -41.317 -10.408 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.276 -42.468 -10.072 1.00 0.00 H new ATOM 0 HG21 VAL A 61 21.743 -44.163 -8.148 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.402 -43.607 -7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 61 22.119 -43.321 -6.625 1.00 0.00 H new ATOM 982 N ARG A 62 21.778 -38.692 -8.312 1.00 0.00 N ATOM 983 CA ARG A 62 21.730 -37.341 -8.898 1.00 0.00 C ATOM 984 C ARG A 62 22.924 -36.449 -8.491 1.00 0.00 C ATOM 985 O ARG A 62 23.437 -35.701 -9.327 1.00 0.00 O ATOM 986 CB ARG A 62 20.411 -36.618 -8.525 1.00 0.00 C ATOM 987 CG ARG A 62 19.140 -37.305 -9.066 1.00 0.00 C ATOM 988 CD ARG A 62 17.882 -36.587 -8.579 1.00 0.00 C ATOM 989 NE ARG A 62 16.723 -37.389 -8.959 1.00 0.00 N ATOM 990 CZ ARG A 62 15.479 -37.051 -8.773 1.00 0.00 C ATOM 991 NH1 ARG A 62 15.096 -35.961 -8.224 1.00 0.00 N ATOM 992 NH2 ARG A 62 14.571 -37.838 -9.183 1.00 0.00 N ATOM 0 H ARG A 62 20.977 -38.911 -7.719 1.00 0.00 H new ATOM 0 HA ARG A 62 21.785 -37.493 -9.976 1.00 0.00 H new ATOM 0 HB2 ARG A 62 20.341 -36.551 -7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 62 20.449 -35.597 -8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 62 19.161 -37.311 -10.156 1.00 0.00 H new ATOM 0 HG3 ARG A 62 19.118 -38.345 -8.742 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.915 -36.455 -7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.817 -35.592 -9.020 1.00 0.00 H new ATOM 0 HE ARG A 62 16.902 -38.288 -9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.786 -35.285 -7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.101 -35.768 -8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.824 -38.711 -9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.589 -37.597 -9.050 1.00 0.00 H new ATOM 1006 N ALA A 63 23.363 -36.500 -7.224 1.00 0.00 N ATOM 1007 CA ALA A 63 24.566 -35.802 -6.765 1.00 0.00 C ATOM 1008 C ALA A 63 25.886 -36.474 -7.202 1.00 0.00 C ATOM 1009 O ALA A 63 26.740 -35.809 -7.796 1.00 0.00 O ATOM 1010 CB ALA A 63 24.491 -35.666 -5.231 1.00 0.00 C ATOM 0 H ALA A 63 22.891 -37.028 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 63 24.584 -34.821 -7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 63 25.379 -35.148 -4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 63 23.602 -35.097 -4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 63 24.439 -36.657 -4.780 1.00 0.00 H new ATOM 1016 N GLU A 64 26.086 -37.779 -6.955 1.00 0.00 N ATOM 1017 CA GLU A 64 27.341 -38.476 -7.261 1.00 0.00 C ATOM 1018 C GLU A 64 27.457 -38.863 -8.759 1.00 0.00 C ATOM 1019 O GLU A 64 27.375 -40.021 -9.176 1.00 0.00 O ATOM 1020 CB GLU A 64 27.451 -39.687 -6.294 1.00 0.00 C ATOM 1021 CG GLU A 64 28.855 -40.362 -6.256 1.00 0.00 C ATOM 1022 CD GLU A 64 28.903 -41.516 -5.254 1.00 0.00 C ATOM 1023 OE1 GLU A 64 29.093 -41.254 -4.068 1.00 0.00 O ATOM 1024 OE2 GLU A 64 28.759 -42.661 -5.674 1.00 0.00 O ATOM 0 H GLU A 64 25.377 -38.381 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 64 28.191 -37.812 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 64 27.194 -39.356 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 64 26.711 -40.434 -6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 64 29.107 -40.733 -7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 64 29.608 -39.620 -5.992 1.00 0.00 H new