USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 423 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 Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -4.1! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.0058) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.9! C(o=-2.9!,f=-5.1!) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0389) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.25) USER MOD Single : A 52 MET CE :methyl 160:sc= -0.436 (180deg=-1.55!) USER MOD Single : A 54 GLN : amide:sc= -0.409 K(o=-0.41,f=-3.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N VAL A 8 10.485 -2.422 6.037 1.00 0.00 N ATOM 110 CA VAL A 8 9.051 -2.302 6.426 1.00 0.00 C ATOM 111 C VAL A 8 8.671 -0.822 6.503 1.00 0.00 C ATOM 112 O VAL A 8 9.395 -0.016 7.053 1.00 0.00 O ATOM 113 CB VAL A 8 8.842 -2.955 7.794 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.474 -2.558 8.355 1.00 0.00 C ATOM 115 CG2 VAL A 8 8.909 -4.476 7.648 1.00 0.00 C ATOM 0 HA VAL A 8 8.426 -2.801 5.685 1.00 0.00 H new ATOM 0 HB VAL A 8 9.623 -2.617 8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.331 -3.026 9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.425 -1.474 8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.691 -2.891 7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.760 -4.942 8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.130 -4.810 6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.885 -4.761 7.255 1.00 0.00 H new ATOM 125 N TYR A 9 7.544 -0.455 5.956 1.00 0.00 N ATOM 126 CA TYR A 9 7.133 0.976 6.002 1.00 0.00 C ATOM 127 C TYR A 9 5.841 1.130 6.807 1.00 0.00 C ATOM 128 O TYR A 9 5.331 0.193 7.387 1.00 0.00 O ATOM 129 CB TYR A 9 6.882 1.494 4.584 1.00 0.00 C ATOM 130 CG TYR A 9 8.190 1.652 3.850 1.00 0.00 C ATOM 131 CD1 TYR A 9 8.982 0.531 3.574 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.607 2.923 3.439 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.191 0.682 2.887 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.815 3.074 2.750 1.00 0.00 C ATOM 135 CZ TYR A 9 10.607 1.954 2.476 1.00 0.00 C ATOM 136 OH TYR A 9 11.798 2.103 1.798 1.00 0.00 O ATOM 0 H TYR A 9 6.893 -1.081 5.482 1.00 0.00 H new ATOM 0 HA TYR A 9 7.934 1.546 6.473 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.235 0.802 4.045 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.361 2.451 4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.660 -0.450 3.891 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.996 3.787 3.654 1.00 0.00 H new ATOM 0 HE1 TYR A 9 10.803 -0.182 2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.136 4.054 2.430 1.00 0.00 H new ATOM 0 HH TYR A 9 11.937 3.049 1.585 1.00 0.00 H new ATOM 146 N THR A 10 5.314 2.319 6.824 1.00 0.00 N ATOM 147 CA THR A 10 4.050 2.594 7.557 1.00 0.00 C ATOM 148 C THR A 10 3.410 3.820 6.912 1.00 0.00 C ATOM 149 O THR A 10 3.941 4.911 6.982 1.00 0.00 O ATOM 150 CB THR A 10 4.357 2.880 9.030 1.00 0.00 C ATOM 151 OG1 THR A 10 5.314 1.941 9.504 1.00 0.00 O ATOM 152 CG2 THR A 10 3.075 2.764 9.856 1.00 0.00 C ATOM 0 H THR A 10 5.714 3.129 6.351 1.00 0.00 H new ATOM 0 HA THR A 10 3.378 1.737 7.508 1.00 0.00 H new ATOM 0 HB THR A 10 4.757 3.889 9.127 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.513 2.124 10.446 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.297 2.968 10.903 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.342 3.485 9.493 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.671 1.756 9.761 1.00 0.00 H new ATOM 160 N GLY A 11 2.299 3.658 6.252 1.00 0.00 N ATOM 161 CA GLY A 11 1.683 4.835 5.580 1.00 0.00 C ATOM 162 C GLY A 11 0.227 5.006 6.001 1.00 0.00 C ATOM 163 O GLY A 11 -0.449 4.063 6.358 1.00 0.00 O ATOM 0 H GLY A 11 1.797 2.776 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.245 5.735 5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.740 4.712 4.499 1.00 0.00 H new ATOM 167 N LYS A 12 -0.259 6.213 5.938 1.00 0.00 N ATOM 168 CA LYS A 12 -1.674 6.472 6.310 1.00 0.00 C ATOM 169 C LYS A 12 -2.532 6.314 5.060 1.00 0.00 C ATOM 170 O LYS A 12 -2.033 6.318 3.956 1.00 0.00 O ATOM 171 CB LYS A 12 -1.810 7.904 6.841 1.00 0.00 C ATOM 172 CG LYS A 12 -0.528 8.302 7.579 1.00 0.00 C ATOM 173 CD LYS A 12 0.356 9.142 6.654 1.00 0.00 C ATOM 174 CE LYS A 12 1.011 10.267 7.460 1.00 0.00 C ATOM 175 NZ LYS A 12 2.476 10.283 7.191 1.00 0.00 N ATOM 0 H LYS A 12 0.267 7.035 5.643 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.995 5.773 7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.996 8.592 6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.665 7.974 7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.774 8.869 8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.010 7.411 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.121 8.515 6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.241 9.560 5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.570 11.227 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.828 10.121 8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.921 11.047 7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.890 9.371 7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.641 10.442 6.177 1.00 0.00 H new ATOM 189 N VAL A 13 -3.816 6.186 5.208 1.00 0.00 N ATOM 190 CA VAL A 13 -4.664 6.038 3.998 1.00 0.00 C ATOM 191 C VAL A 13 -5.050 7.431 3.509 1.00 0.00 C ATOM 192 O VAL A 13 -5.984 8.038 3.994 1.00 0.00 O ATOM 193 CB VAL A 13 -5.925 5.247 4.337 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.801 5.139 3.089 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.538 3.845 4.811 1.00 0.00 C ATOM 0 H VAL A 13 -4.310 6.177 6.100 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.115 5.503 3.223 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.475 5.757 5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.703 4.575 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.076 6.138 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.249 4.627 2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.439 3.281 5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.990 3.332 4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.909 3.921 5.698 1.00 0.00 H new ATOM 205 N THR A 14 -4.319 7.949 2.565 1.00 0.00 N ATOM 206 CA THR A 14 -4.616 9.313 2.050 1.00 0.00 C ATOM 207 C THR A 14 -5.468 9.216 0.780 1.00 0.00 C ATOM 208 O THR A 14 -5.859 10.215 0.209 1.00 0.00 O ATOM 209 CB THR A 14 -3.303 10.034 1.737 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.936 9.783 0.389 1.00 0.00 O ATOM 211 CG2 THR A 14 -2.198 9.528 2.667 1.00 0.00 C ATOM 0 H THR A 14 -3.524 7.484 2.125 1.00 0.00 H new ATOM 0 HA THR A 14 -5.168 9.872 2.806 1.00 0.00 H new ATOM 0 HB THR A 14 -3.437 11.105 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.096 10.246 0.187 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.266 10.045 2.439 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.477 9.722 3.703 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.063 8.456 2.522 1.00 0.00 H new ATOM 219 N ARG A 15 -5.761 8.024 0.334 1.00 0.00 N ATOM 220 CA ARG A 15 -6.587 7.870 -0.897 1.00 0.00 C ATOM 221 C ARG A 15 -6.923 6.392 -1.111 1.00 0.00 C ATOM 222 O ARG A 15 -6.116 5.521 -0.856 1.00 0.00 O ATOM 223 CB ARG A 15 -5.832 8.406 -2.132 1.00 0.00 C ATOM 224 CG ARG A 15 -4.320 8.490 -1.873 1.00 0.00 C ATOM 225 CD ARG A 15 -3.870 9.948 -1.984 1.00 0.00 C ATOM 226 NE ARG A 15 -4.309 10.502 -3.295 1.00 0.00 N ATOM 227 CZ ARG A 15 -3.468 10.567 -4.292 1.00 0.00 C ATOM 228 NH1 ARG A 15 -2.417 11.336 -4.210 1.00 0.00 N ATOM 229 NH2 ARG A 15 -3.680 9.860 -5.369 1.00 0.00 N ATOM 0 H ARG A 15 -5.464 7.151 0.769 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.505 8.444 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.021 7.755 -2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.213 9.393 -2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.087 8.099 -0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.781 7.875 -2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.294 10.534 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.786 10.014 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.267 10.831 -3.414 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.252 11.886 -3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.760 11.387 -4.989 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.501 9.258 -5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.024 9.909 -6.149 1.00 0.00 H new ATOM 243 N ILE A 16 -8.108 6.107 -1.586 1.00 0.00 N ATOM 244 CA ILE A 16 -8.509 4.690 -1.838 1.00 0.00 C ATOM 245 C ILE A 16 -9.111 4.606 -3.244 1.00 0.00 C ATOM 246 O ILE A 16 -9.517 5.604 -3.805 1.00 0.00 O ATOM 247 CB ILE A 16 -9.528 4.241 -0.786 1.00 0.00 C ATOM 248 CG1 ILE A 16 -8.859 4.278 0.595 1.00 0.00 C ATOM 249 CG2 ILE A 16 -9.986 2.813 -1.103 1.00 0.00 C ATOM 250 CD1 ILE A 16 -9.696 3.491 1.606 1.00 0.00 C ATOM 0 H ILE A 16 -8.821 6.801 -1.812 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.643 4.032 -1.769 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.393 4.904 -0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.856 3.855 0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.749 5.310 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.711 2.489 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.446 2.789 -2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.126 2.143 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.213 3.524 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.690 3.933 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.783 2.455 1.278 1.00 0.00 H new ATOM 262 N VAL A 17 -9.152 3.442 -3.841 1.00 0.00 N ATOM 263 CA VAL A 17 -9.706 3.357 -5.226 1.00 0.00 C ATOM 264 C VAL A 17 -10.656 2.150 -5.352 1.00 0.00 C ATOM 265 O VAL A 17 -10.535 1.168 -4.651 1.00 0.00 O ATOM 266 CB VAL A 17 -8.539 3.244 -6.237 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.239 3.732 -5.600 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.335 1.797 -6.659 1.00 0.00 C ATOM 0 H VAL A 17 -8.832 2.561 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.279 4.258 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.792 3.855 -7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.426 3.647 -6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.350 4.774 -5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.012 3.124 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.511 1.738 -7.370 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.103 1.192 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.245 1.423 -7.127 1.00 0.00 H new ATOM 278 N ASP A 18 -11.594 2.208 -6.256 1.00 0.00 N ATOM 279 CA ASP A 18 -12.530 1.059 -6.425 1.00 0.00 C ATOM 280 C ASP A 18 -11.736 -0.189 -6.823 1.00 0.00 C ATOM 281 O ASP A 18 -12.012 -1.284 -6.374 1.00 0.00 O ATOM 282 CB ASP A 18 -13.546 1.391 -7.519 1.00 0.00 C ATOM 283 CG ASP A 18 -14.034 2.829 -7.339 1.00 0.00 C ATOM 284 OD1 ASP A 18 -14.875 3.047 -6.483 1.00 0.00 O ATOM 285 OD2 ASP A 18 -13.556 3.688 -8.061 1.00 0.00 O ATOM 0 H ASP A 18 -11.753 2.997 -6.883 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.054 0.871 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.091 1.270 -8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.388 0.701 -7.470 1.00 0.00 H new ATOM 290 N PHE A 19 -10.754 -0.029 -7.668 1.00 0.00 N ATOM 291 CA PHE A 19 -9.936 -1.198 -8.110 1.00 0.00 C ATOM 292 C PHE A 19 -8.729 -1.377 -7.183 1.00 0.00 C ATOM 293 O PHE A 19 -7.728 -1.948 -7.568 1.00 0.00 O ATOM 294 CB PHE A 19 -9.425 -0.941 -9.530 1.00 0.00 C ATOM 295 CG PHE A 19 -8.886 0.466 -9.601 1.00 0.00 C ATOM 296 CD1 PHE A 19 -7.591 0.742 -9.145 1.00 0.00 C ATOM 297 CD2 PHE A 19 -9.688 1.499 -10.101 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.098 2.052 -9.190 1.00 0.00 C ATOM 299 CE2 PHE A 19 -9.196 2.808 -10.143 1.00 0.00 C ATOM 300 CZ PHE A 19 -7.901 3.083 -9.686 1.00 0.00 C ATOM 0 H PHE A 19 -10.481 0.866 -8.074 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.554 -2.096 -8.081 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.645 -1.658 -9.787 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.231 -1.074 -10.252 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.973 -0.055 -8.759 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.686 1.285 -10.454 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.098 2.265 -8.842 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.814 3.606 -10.527 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.522 4.094 -9.717 1.00 0.00 H new ATOM 310 N GLY A 20 -8.798 -0.890 -5.972 1.00 0.00 N ATOM 311 CA GLY A 20 -7.628 -1.042 -5.058 1.00 0.00 C ATOM 312 C GLY A 20 -7.627 0.056 -3.986 1.00 0.00 C ATOM 313 O GLY A 20 -8.652 0.576 -3.605 1.00 0.00 O ATOM 0 H GLY A 20 -9.602 -0.400 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.658 -2.022 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.703 -0.996 -5.633 1.00 0.00 H new ATOM 317 N ALA A 21 -6.475 0.411 -3.490 1.00 0.00 N ATOM 318 CA ALA A 21 -6.406 1.470 -2.450 1.00 0.00 C ATOM 319 C ALA A 21 -5.062 2.183 -2.545 1.00 0.00 C ATOM 320 O ALA A 21 -4.056 1.591 -2.856 1.00 0.00 O ATOM 321 CB ALA A 21 -6.542 0.844 -1.061 1.00 0.00 C ATOM 0 H ALA A 21 -5.577 0.011 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.217 2.181 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.491 1.626 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.500 0.329 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.733 0.131 -0.902 1.00 0.00 H new ATOM 327 N PHE A 22 -5.047 3.455 -2.285 1.00 0.00 N ATOM 328 CA PHE A 22 -3.782 4.229 -2.343 1.00 0.00 C ATOM 329 C PHE A 22 -3.344 4.565 -0.917 1.00 0.00 C ATOM 330 O PHE A 22 -4.146 4.589 -0.004 1.00 0.00 O ATOM 331 CB PHE A 22 -4.023 5.521 -3.124 1.00 0.00 C ATOM 332 CG PHE A 22 -4.166 5.214 -4.598 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.104 3.889 -5.060 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.342 6.261 -5.506 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.221 3.617 -6.426 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.452 5.988 -6.876 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.391 4.664 -7.334 1.00 0.00 C ATOM 0 H PHE A 22 -5.871 4.000 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.005 3.646 -2.838 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.923 6.015 -2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.194 6.211 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.966 3.079 -4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.393 7.280 -5.152 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.180 2.597 -6.779 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.584 6.797 -7.579 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.476 4.454 -8.390 1.00 0.00 H new ATOM 347 N VAL A 23 -2.083 4.816 -0.710 1.00 0.00 N ATOM 348 CA VAL A 23 -1.617 5.137 0.668 1.00 0.00 C ATOM 349 C VAL A 23 -0.399 6.065 0.601 1.00 0.00 C ATOM 350 O VAL A 23 0.251 6.186 -0.417 1.00 0.00 O ATOM 351 CB VAL A 23 -1.259 3.831 1.391 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.326 4.120 2.568 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.541 3.186 1.919 1.00 0.00 C ATOM 0 H VAL A 23 -1.359 4.813 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.408 5.647 1.219 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.758 3.161 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.078 3.187 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.588 4.588 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.822 4.792 3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.296 2.257 2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.032 3.868 2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.211 2.973 1.086 1.00 0.00 H new ATOM 363 N ALA A 24 -0.089 6.722 1.685 1.00 0.00 N ATOM 364 CA ALA A 24 1.082 7.641 1.697 1.00 0.00 C ATOM 365 C ALA A 24 1.981 7.290 2.886 1.00 0.00 C ATOM 366 O ALA A 24 1.503 6.912 3.938 1.00 0.00 O ATOM 367 CB ALA A 24 0.587 9.085 1.828 1.00 0.00 C ATOM 0 H ALA A 24 -0.599 6.661 2.566 1.00 0.00 H new ATOM 0 HA ALA A 24 1.648 7.537 0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.441 9.763 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.059 9.326 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.026 9.195 2.756 1.00 0.00 H new ATOM 373 N ILE A 25 3.278 7.405 2.742 1.00 0.00 N ATOM 374 CA ILE A 25 4.169 7.062 3.891 1.00 0.00 C ATOM 375 C ILE A 25 4.679 8.342 4.555 1.00 0.00 C ATOM 376 O ILE A 25 5.455 8.297 5.488 1.00 0.00 O ATOM 377 CB ILE A 25 5.363 6.224 3.415 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.799 6.677 2.022 1.00 0.00 C ATOM 379 CG2 ILE A 25 4.972 4.745 3.370 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.990 5.833 1.564 1.00 0.00 C ATOM 0 H ILE A 25 3.751 7.716 1.894 1.00 0.00 H new ATOM 0 HA ILE A 25 3.594 6.481 4.612 1.00 0.00 H new ATOM 0 HB ILE A 25 6.190 6.361 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.973 6.573 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.072 7.732 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.823 4.154 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.675 4.417 4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.139 4.610 2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.303 6.154 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.816 5.960 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.700 4.783 1.531 1.00 0.00 H new ATOM 413 N LYS A 29 7.338 9.941 0.099 1.00 0.00 N ATOM 414 CA LYS A 29 6.820 9.001 -0.931 1.00 0.00 C ATOM 415 C LYS A 29 5.451 8.473 -0.504 1.00 0.00 C ATOM 416 O LYS A 29 4.991 8.707 0.601 1.00 0.00 O ATOM 417 CB LYS A 29 7.792 7.833 -1.103 1.00 0.00 C ATOM 418 CG LYS A 29 8.448 7.918 -2.482 1.00 0.00 C ATOM 419 CD LYS A 29 7.389 7.695 -3.564 1.00 0.00 C ATOM 420 CE LYS A 29 8.011 7.918 -4.944 1.00 0.00 C ATOM 421 NZ LYS A 29 7.923 6.661 -5.740 1.00 0.00 N ATOM 0 HA LYS A 29 6.723 9.528 -1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.553 7.861 -0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.263 6.886 -0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.918 8.892 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.236 7.170 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.989 6.683 -3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.553 8.379 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.493 8.725 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.052 8.223 -4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.346 6.814 -6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.436 5.902 -5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.925 6.389 -5.850 1.00 0.00 H new ATOM 435 N GLU A 30 4.786 7.764 -1.369 1.00 0.00 N ATOM 436 CA GLU A 30 3.449 7.236 -1.003 1.00 0.00 C ATOM 437 C GLU A 30 3.384 5.736 -1.279 1.00 0.00 C ATOM 438 O GLU A 30 4.010 5.230 -2.190 1.00 0.00 O ATOM 439 CB GLU A 30 2.376 7.953 -1.825 1.00 0.00 C ATOM 440 CG GLU A 30 2.732 7.871 -3.312 1.00 0.00 C ATOM 441 CD GLU A 30 3.164 9.251 -3.808 1.00 0.00 C ATOM 442 OE1 GLU A 30 2.366 10.170 -3.716 1.00 0.00 O ATOM 443 OE2 GLU A 30 4.288 9.367 -4.270 1.00 0.00 O ATOM 0 H GLU A 30 5.109 7.529 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 30 3.276 7.410 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.402 7.497 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.301 8.995 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.535 7.150 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.873 7.519 -3.884 1.00 0.00 H new ATOM 450 N GLY A 31 2.613 5.029 -0.505 1.00 0.00 N ATOM 451 CA GLY A 31 2.473 3.564 -0.713 1.00 0.00 C ATOM 452 C GLY A 31 1.187 3.314 -1.497 1.00 0.00 C ATOM 453 O GLY A 31 0.491 4.240 -1.861 1.00 0.00 O ATOM 0 H GLY A 31 2.069 5.407 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.332 3.174 -1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.441 3.045 0.245 1.00 0.00 H new ATOM 457 N LEU A 32 0.852 2.083 -1.761 1.00 0.00 N ATOM 458 CA LEU A 32 -0.402 1.820 -2.516 1.00 0.00 C ATOM 459 C LEU A 32 -1.013 0.491 -2.091 1.00 0.00 C ATOM 460 O LEU A 32 -0.450 -0.563 -2.311 1.00 0.00 O ATOM 461 CB LEU A 32 -0.122 1.758 -4.013 1.00 0.00 C ATOM 462 CG LEU A 32 -1.438 2.003 -4.749 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.380 3.347 -5.454 1.00 0.00 C ATOM 464 CD2 LEU A 32 -1.684 0.900 -5.774 1.00 0.00 C ATOM 0 H LEU A 32 1.385 1.257 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.094 2.634 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.617 2.508 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.291 0.786 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.254 2.001 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.319 3.523 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.222 4.137 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.558 3.347 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.625 1.087 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.869 0.887 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.734 -0.063 -5.267 1.00 0.00 H new ATOM 476 N VAL A 33 -2.182 0.527 -1.525 1.00 0.00 N ATOM 477 CA VAL A 33 -2.850 -0.734 -1.135 1.00 0.00 C ATOM 478 C VAL A 33 -3.695 -1.202 -2.318 1.00 0.00 C ATOM 479 O VAL A 33 -4.901 -1.331 -2.227 1.00 0.00 O ATOM 480 CB VAL A 33 -3.752 -0.492 0.074 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.529 -1.768 0.409 1.00 0.00 C ATOM 482 CG2 VAL A 33 -2.889 -0.091 1.267 1.00 0.00 C ATOM 0 H VAL A 33 -2.703 1.379 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.109 -1.488 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.460 0.304 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.170 -1.588 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.143 -2.055 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.828 -2.571 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.526 0.084 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.183 -0.891 1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.341 0.821 1.030 1.00 0.00 H new ATOM 492 N HIS A 34 -3.083 -1.436 -3.445 1.00 0.00 N ATOM 493 CA HIS A 34 -3.876 -1.880 -4.616 1.00 0.00 C ATOM 494 C HIS A 34 -4.816 -3.005 -4.170 1.00 0.00 C ATOM 495 O HIS A 34 -4.567 -3.679 -3.190 1.00 0.00 O ATOM 496 CB HIS A 34 -2.949 -2.398 -5.716 1.00 0.00 C ATOM 497 CG HIS A 34 -3.670 -2.339 -7.034 1.00 0.00 C ATOM 498 ND1 HIS A 34 -3.759 -3.434 -7.878 1.00 0.00 N ATOM 499 CD2 HIS A 34 -4.354 -1.325 -7.661 1.00 0.00 C ATOM 500 CE1 HIS A 34 -4.474 -3.058 -8.955 1.00 0.00 C ATOM 501 NE2 HIS A 34 -4.860 -1.783 -8.874 1.00 0.00 N ATOM 0 H HIS A 34 -2.080 -1.340 -3.602 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.449 -1.040 -5.009 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.041 -1.797 -5.757 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.644 -3.422 -5.500 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.480 -0.325 -7.272 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.707 -3.709 -9.784 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.408 -1.257 -9.555 1.00 0.00 H new ATOM 509 N ILE A 35 -5.891 -3.209 -4.871 1.00 0.00 N ATOM 510 CA ILE A 35 -6.847 -4.281 -4.487 1.00 0.00 C ATOM 511 C ILE A 35 -6.085 -5.589 -4.265 1.00 0.00 C ATOM 512 O ILE A 35 -6.287 -6.275 -3.282 1.00 0.00 O ATOM 513 CB ILE A 35 -7.866 -4.458 -5.613 1.00 0.00 C ATOM 514 CG1 ILE A 35 -8.685 -5.729 -5.375 1.00 0.00 C ATOM 515 CG2 ILE A 35 -7.130 -4.570 -6.949 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.146 -5.351 -5.140 1.00 0.00 C ATOM 0 H ILE A 35 -6.152 -2.675 -5.700 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.362 -4.010 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.535 -3.598 -5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.603 -6.394 -6.234 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.295 -6.271 -4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.854 -4.696 -7.754 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.550 -3.664 -7.122 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.461 -5.430 -6.925 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.733 -6.254 -4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.218 -4.702 -4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.532 -4.827 -6.015 1.00 0.00 H new ATOM 528 N SER A 36 -5.216 -5.940 -5.172 1.00 0.00 N ATOM 529 CA SER A 36 -4.439 -7.205 -5.019 1.00 0.00 C ATOM 530 C SER A 36 -3.246 -6.990 -4.074 1.00 0.00 C ATOM 531 O SER A 36 -2.168 -7.498 -4.305 1.00 0.00 O ATOM 532 CB SER A 36 -3.924 -7.650 -6.387 1.00 0.00 C ATOM 533 OG SER A 36 -3.984 -9.068 -6.472 1.00 0.00 O ATOM 0 H SER A 36 -5.009 -5.405 -6.015 1.00 0.00 H new ATOM 0 HA SER A 36 -5.091 -7.971 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.524 -7.201 -7.178 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.899 -7.308 -6.531 1.00 0.00 H new ATOM 0 HG SER A 36 -3.656 -9.357 -7.349 1.00 0.00 H new ATOM 539 N GLN A 37 -3.425 -6.246 -3.014 1.00 0.00 N ATOM 540 CA GLN A 37 -2.297 -6.013 -2.067 1.00 0.00 C ATOM 541 C GLN A 37 -2.852 -5.859 -0.648 1.00 0.00 C ATOM 542 O GLN A 37 -2.335 -5.102 0.149 1.00 0.00 O ATOM 543 CB GLN A 37 -1.551 -4.735 -2.460 1.00 0.00 C ATOM 544 CG GLN A 37 -1.249 -4.752 -3.959 1.00 0.00 C ATOM 545 CD GLN A 37 -0.202 -5.827 -4.259 1.00 0.00 C ATOM 546 OE1 GLN A 37 0.443 -6.331 -3.362 1.00 0.00 O ATOM 547 NE2 GLN A 37 -0.005 -6.199 -5.493 1.00 0.00 N ATOM 0 H GLN A 37 -4.303 -5.791 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.611 -6.859 -2.105 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.152 -3.861 -2.211 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.623 -4.656 -1.894 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.161 -4.951 -4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.884 -3.776 -4.278 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.547 -5.775 -6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.691 -6.914 -5.705 1.00 0.00 H new ATOM 556 N ILE A 38 -3.904 -6.563 -0.329 1.00 0.00 N ATOM 557 CA ILE A 38 -4.491 -6.445 1.037 1.00 0.00 C ATOM 558 C ILE A 38 -4.296 -7.755 1.803 1.00 0.00 C ATOM 559 O ILE A 38 -3.257 -7.999 2.383 1.00 0.00 O ATOM 560 CB ILE A 38 -5.984 -6.127 0.927 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.165 -4.680 0.466 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.649 -6.311 2.293 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.501 -4.491 -0.899 1.00 0.00 C ATOM 0 H ILE A 38 -4.382 -7.213 -0.953 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.989 -5.641 1.575 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.445 -6.801 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.226 -4.438 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.725 -3.998 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.712 -6.084 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.521 -7.342 2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.188 -5.638 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.630 -3.460 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.437 -4.716 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.961 -5.163 -1.624 1.00 0.00 H new ATOM 575 N ALA A 39 -5.291 -8.593 1.817 1.00 0.00 N ATOM 576 CA ALA A 39 -5.173 -9.881 2.555 1.00 0.00 C ATOM 577 C ALA A 39 -4.867 -11.014 1.575 1.00 0.00 C ATOM 578 O ALA A 39 -5.014 -12.175 1.899 1.00 0.00 O ATOM 579 CB ALA A 39 -6.488 -10.171 3.279 1.00 0.00 C ATOM 0 H ALA A 39 -6.184 -8.442 1.348 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.363 -9.809 3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.405 -11.113 3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.701 -9.366 3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.296 -10.241 2.551 1.00 0.00 H new ATOM 643 N VAL A 43 -10.124 -9.014 -1.935 1.00 0.00 N ATOM 644 CA VAL A 43 -10.817 -8.103 -0.996 1.00 0.00 C ATOM 645 C VAL A 43 -12.043 -7.542 -1.711 1.00 0.00 C ATOM 646 O VAL A 43 -11.961 -6.576 -2.444 1.00 0.00 O ATOM 647 CB VAL A 43 -9.860 -6.975 -0.576 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.646 -5.721 -0.190 1.00 0.00 C ATOM 649 CG2 VAL A 43 -9.033 -7.443 0.625 1.00 0.00 C ATOM 0 HA VAL A 43 -11.129 -8.631 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.206 -6.734 -1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.953 -4.933 0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.236 -5.385 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.310 -5.950 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.351 -6.649 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.699 -7.686 1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.459 -8.328 0.349 1.00 0.00 H new ATOM 659 N GLU A 44 -13.177 -8.153 -1.509 1.00 0.00 N ATOM 660 CA GLU A 44 -14.421 -7.677 -2.175 1.00 0.00 C ATOM 661 C GLU A 44 -14.462 -6.149 -2.171 1.00 0.00 C ATOM 662 O GLU A 44 -15.101 -5.538 -3.004 1.00 0.00 O ATOM 663 CB GLU A 44 -15.636 -8.213 -1.418 1.00 0.00 C ATOM 664 CG GLU A 44 -16.017 -9.589 -1.967 1.00 0.00 C ATOM 665 CD GLU A 44 -14.972 -10.619 -1.534 1.00 0.00 C ATOM 666 OE1 GLU A 44 -14.947 -10.951 -0.361 1.00 0.00 O ATOM 667 OE2 GLU A 44 -14.216 -11.059 -2.385 1.00 0.00 O ATOM 0 H GLU A 44 -13.296 -8.968 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.436 -8.036 -3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.412 -8.284 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.474 -7.524 -1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.002 -9.878 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.079 -9.554 -3.055 1.00 0.00 H new ATOM 674 N LYS A 45 -13.793 -5.524 -1.242 1.00 0.00 N ATOM 675 CA LYS A 45 -13.813 -4.035 -1.204 1.00 0.00 C ATOM 676 C LYS A 45 -12.516 -3.510 -0.591 1.00 0.00 C ATOM 677 O LYS A 45 -12.184 -3.811 0.538 1.00 0.00 O ATOM 678 CB LYS A 45 -15.001 -3.560 -0.364 1.00 0.00 C ATOM 679 CG LYS A 45 -16.216 -3.350 -1.272 1.00 0.00 C ATOM 680 CD LYS A 45 -17.325 -4.326 -0.873 1.00 0.00 C ATOM 681 CE LYS A 45 -18.689 -3.705 -1.182 1.00 0.00 C ATOM 682 NZ LYS A 45 -18.860 -3.584 -2.657 1.00 0.00 N ATOM 0 H LYS A 45 -13.238 -5.975 -0.514 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.908 -3.655 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.232 -4.295 0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.750 -2.630 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.573 -2.323 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.936 -3.507 -2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.210 -5.265 -1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.253 -4.560 0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.484 -4.322 -0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.767 -2.723 -0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.834 -3.290 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.196 -2.874 -3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.670 -4.503 -3.105 1.00 0.00 H new ATOM 696 N VAL A 46 -11.791 -2.707 -1.318 1.00 0.00 N ATOM 697 CA VAL A 46 -10.523 -2.144 -0.760 1.00 0.00 C ATOM 698 C VAL A 46 -10.895 -1.113 0.301 1.00 0.00 C ATOM 699 O VAL A 46 -10.160 -0.870 1.241 1.00 0.00 O ATOM 700 CB VAL A 46 -9.668 -1.471 -1.852 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.278 -2.112 -1.874 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.316 -1.636 -3.229 1.00 0.00 C ATOM 0 H VAL A 46 -12.017 -2.416 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.931 -2.955 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.591 -0.408 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.671 -1.638 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.800 -1.979 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.372 -3.176 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.695 -1.153 -3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.411 -2.697 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.304 -1.176 -3.224 1.00 0.00 H new ATOM 712 N THR A 47 -12.052 -0.523 0.166 1.00 0.00 N ATOM 713 CA THR A 47 -12.503 0.478 1.171 1.00 0.00 C ATOM 714 C THR A 47 -13.039 -0.257 2.403 1.00 0.00 C ATOM 715 O THR A 47 -13.556 0.348 3.322 1.00 0.00 O ATOM 716 CB THR A 47 -13.610 1.345 0.569 1.00 0.00 C ATOM 717 OG1 THR A 47 -14.730 0.531 0.251 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.094 2.025 -0.699 1.00 0.00 C ATOM 0 H THR A 47 -12.705 -0.693 -0.599 1.00 0.00 H new ATOM 0 HA THR A 47 -11.666 1.114 1.458 1.00 0.00 H new ATOM 0 HB THR A 47 -13.909 2.105 1.291 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.440 1.087 -0.133 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.883 2.643 -1.128 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.236 2.651 -0.453 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.794 1.267 -1.422 1.00 0.00 H new ATOM 726 N ASP A 48 -12.908 -1.559 2.433 1.00 0.00 N ATOM 727 CA ASP A 48 -13.390 -2.337 3.607 1.00 0.00 C ATOM 728 C ASP A 48 -12.173 -2.787 4.405 1.00 0.00 C ATOM 729 O ASP A 48 -12.233 -2.989 5.601 1.00 0.00 O ATOM 730 CB ASP A 48 -14.174 -3.565 3.131 1.00 0.00 C ATOM 731 CG ASP A 48 -15.470 -3.115 2.452 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.614 -1.926 2.225 1.00 0.00 O ATOM 733 OD2 ASP A 48 -16.297 -3.968 2.174 1.00 0.00 O ATOM 0 H ASP A 48 -12.486 -2.116 1.690 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.045 -1.722 4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.570 -4.147 2.435 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.401 -4.214 3.977 1.00 0.00 H new ATOM 738 N TYR A 49 -11.061 -2.931 3.740 1.00 0.00 N ATOM 739 CA TYR A 49 -9.821 -3.350 4.439 1.00 0.00 C ATOM 740 C TYR A 49 -9.053 -2.100 4.862 1.00 0.00 C ATOM 741 O TYR A 49 -8.426 -2.067 5.902 1.00 0.00 O ATOM 742 CB TYR A 49 -8.963 -4.195 3.497 1.00 0.00 C ATOM 743 CG TYR A 49 -9.640 -5.527 3.282 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.878 -5.582 2.634 1.00 0.00 C ATOM 745 CD2 TYR A 49 -9.033 -6.705 3.733 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.512 -6.812 2.439 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.668 -7.937 3.540 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.909 -7.992 2.891 1.00 0.00 C ATOM 749 OH TYR A 49 -11.535 -9.206 2.699 1.00 0.00 O ATOM 0 H TYR A 49 -10.960 -2.775 2.737 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.069 -3.945 5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.831 -3.681 2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.970 -4.341 3.921 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.345 -4.673 2.284 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.075 -6.663 4.230 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.468 -6.852 1.939 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.202 -8.846 3.891 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.980 -9.923 3.072 1.00 0.00 H new ATOM 759 N LEU A 50 -9.104 -1.063 4.066 1.00 0.00 N ATOM 760 CA LEU A 50 -8.377 0.185 4.439 1.00 0.00 C ATOM 761 C LEU A 50 -9.382 1.276 4.816 1.00 0.00 C ATOM 762 O LEU A 50 -10.503 1.293 4.351 1.00 0.00 O ATOM 763 CB LEU A 50 -7.534 0.671 3.256 1.00 0.00 C ATOM 764 CG LEU A 50 -6.060 0.310 3.464 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.201 1.103 2.480 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.624 0.658 4.891 1.00 0.00 C ATOM 0 H LEU A 50 -9.613 -1.027 3.183 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.727 -0.027 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.898 0.220 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.638 1.750 3.147 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.934 -0.760 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.151 0.848 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.496 0.857 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.342 2.170 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.574 0.396 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.756 1.726 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.231 0.099 5.603 1.00 0.00 H new ATOM 778 N GLN A 51 -8.978 2.195 5.650 1.00 0.00 N ATOM 779 CA GLN A 51 -9.896 3.295 6.053 1.00 0.00 C ATOM 780 C GLN A 51 -9.192 4.635 5.836 1.00 0.00 C ATOM 781 O GLN A 51 -8.020 4.781 6.118 1.00 0.00 O ATOM 782 CB GLN A 51 -10.266 3.145 7.531 1.00 0.00 C ATOM 783 CG GLN A 51 -11.785 3.023 7.667 1.00 0.00 C ATOM 784 CD GLN A 51 -12.284 1.852 6.816 1.00 0.00 C ATOM 785 OE1 GLN A 51 -12.012 0.707 7.118 1.00 0.00 O ATOM 786 NE2 GLN A 51 -13.006 2.093 5.755 1.00 0.00 N ATOM 0 H GLN A 51 -8.049 2.230 6.070 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.804 3.252 5.452 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.781 2.264 7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.908 4.006 8.096 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.056 2.868 8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.264 3.948 7.347 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.235 3.054 5.501 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.341 1.320 5.180 1.00 0.00 H new ATOM 795 N MET A 52 -9.893 5.613 5.330 1.00 0.00 N ATOM 796 CA MET A 52 -9.256 6.940 5.091 1.00 0.00 C ATOM 797 C MET A 52 -8.806 7.544 6.423 1.00 0.00 C ATOM 798 O MET A 52 -9.613 7.882 7.266 1.00 0.00 O ATOM 799 CB MET A 52 -10.266 7.879 4.427 1.00 0.00 C ATOM 800 CG MET A 52 -10.366 7.553 2.935 1.00 0.00 C ATOM 801 SD MET A 52 -11.973 8.101 2.305 1.00 0.00 S ATOM 802 CE MET A 52 -12.034 9.684 3.181 1.00 0.00 C ATOM 0 H MET A 52 -10.878 5.551 5.072 1.00 0.00 H new ATOM 0 HA MET A 52 -8.391 6.811 4.440 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.243 7.772 4.899 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.958 8.916 4.563 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.562 8.046 2.389 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.248 6.481 2.777 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.746 10.346 2.688 1.00 0.00 H new ATOM 0 HE2 MET A 52 -12.347 9.518 4.212 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.046 10.143 3.172 1.00 0.00 H new ATOM 812 N GLY A 53 -7.522 7.694 6.616 1.00 0.00 N ATOM 813 CA GLY A 53 -7.024 8.287 7.890 1.00 0.00 C ATOM 814 C GLY A 53 -6.337 7.212 8.738 1.00 0.00 C ATOM 815 O GLY A 53 -5.511 7.508 9.578 1.00 0.00 O ATOM 0 H GLY A 53 -6.798 7.432 5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.324 9.094 7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.854 8.724 8.445 1.00 0.00 H new ATOM 819 N GLN A 54 -6.674 5.968 8.533 1.00 0.00 N ATOM 820 CA GLN A 54 -6.040 4.882 9.336 1.00 0.00 C ATOM 821 C GLN A 54 -4.605 4.651 8.854 1.00 0.00 C ATOM 822 O GLN A 54 -4.299 4.809 7.689 1.00 0.00 O ATOM 823 CB GLN A 54 -6.846 3.590 9.176 1.00 0.00 C ATOM 824 CG GLN A 54 -8.003 3.580 10.178 1.00 0.00 C ATOM 825 CD GLN A 54 -7.944 2.302 11.016 1.00 0.00 C ATOM 826 OE1 GLN A 54 -7.180 1.404 10.723 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.724 2.183 12.056 1.00 0.00 N ATOM 0 H GLN A 54 -7.360 5.656 7.845 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.024 5.175 10.386 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.231 3.513 8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.203 2.725 9.339 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.944 4.455 10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.955 3.637 9.650 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.365 2.937 12.302 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.692 1.336 12.623 1.00 0.00 H new ATOM 836 N GLU A 55 -3.725 4.274 9.742 1.00 0.00 N ATOM 837 CA GLU A 55 -2.309 4.029 9.339 1.00 0.00 C ATOM 838 C GLU A 55 -2.034 2.524 9.341 1.00 0.00 C ATOM 839 O GLU A 55 -2.584 1.786 10.134 1.00 0.00 O ATOM 840 CB GLU A 55 -1.370 4.717 10.333 1.00 0.00 C ATOM 841 CG GLU A 55 -0.694 5.911 9.658 1.00 0.00 C ATOM 842 CD GLU A 55 -0.695 7.103 10.617 1.00 0.00 C ATOM 843 OE1 GLU A 55 0.027 7.048 11.600 1.00 0.00 O ATOM 844 OE2 GLU A 55 -1.417 8.050 10.354 1.00 0.00 O ATOM 0 H GLU A 55 -3.925 4.125 10.731 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.140 4.431 8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.930 5.050 11.207 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.617 4.012 10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.328 5.655 9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.220 6.169 8.739 1.00 0.00 H new ATOM 851 N VAL A 56 -1.189 2.058 8.460 1.00 0.00 N ATOM 852 CA VAL A 56 -0.890 0.600 8.420 1.00 0.00 C ATOM 853 C VAL A 56 0.541 0.372 7.906 1.00 0.00 C ATOM 854 O VAL A 56 0.982 1.042 6.987 1.00 0.00 O ATOM 855 CB VAL A 56 -1.883 -0.095 7.487 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.281 -0.048 8.105 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.899 0.624 6.137 1.00 0.00 C ATOM 0 H VAL A 56 -0.695 2.623 7.769 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.978 0.187 9.425 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.584 -1.133 7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.989 -0.543 7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.270 -0.557 9.069 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.581 0.990 8.247 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.606 0.130 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.200 1.662 6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.903 0.593 5.696 1.00 0.00 H new ATOM 867 N PRO A 57 1.219 -0.576 8.515 1.00 0.00 N ATOM 868 CA PRO A 57 2.597 -0.937 8.141 1.00 0.00 C ATOM 869 C PRO A 57 2.585 -1.902 6.949 1.00 0.00 C ATOM 870 O PRO A 57 1.651 -2.658 6.761 1.00 0.00 O ATOM 871 CB PRO A 57 3.131 -1.644 9.389 1.00 0.00 C ATOM 872 CG PRO A 57 1.893 -2.160 10.162 1.00 0.00 C ATOM 873 CD PRO A 57 0.681 -1.364 9.643 1.00 0.00 C ATOM 0 HA PRO A 57 3.200 -0.079 7.845 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.790 -2.468 9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.715 -0.959 10.004 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.753 -3.228 9.998 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.019 -2.016 11.235 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.121 -2.027 9.319 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.267 -0.719 10.418 1.00 0.00 H new ATOM 881 N VAL A 58 3.616 -1.891 6.150 1.00 0.00 N ATOM 882 CA VAL A 58 3.657 -2.819 4.982 1.00 0.00 C ATOM 883 C VAL A 58 5.109 -3.223 4.707 1.00 0.00 C ATOM 884 O VAL A 58 6.002 -2.935 5.480 1.00 0.00 O ATOM 885 CB VAL A 58 3.045 -2.127 3.751 1.00 0.00 C ATOM 886 CG1 VAL A 58 1.948 -1.163 4.203 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.119 -1.345 2.987 1.00 0.00 C ATOM 0 H VAL A 58 4.429 -1.283 6.253 1.00 0.00 H new ATOM 0 HA VAL A 58 3.077 -3.716 5.200 1.00 0.00 H new ATOM 0 HB VAL A 58 2.626 -2.888 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.514 -0.672 3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.172 -1.717 4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.375 -0.412 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.669 -0.862 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.552 -0.588 3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.901 -2.029 2.657 1.00 0.00 H new ATOM 897 N LYS A 59 5.354 -3.892 3.614 1.00 0.00 N ATOM 898 CA LYS A 59 6.749 -4.312 3.301 1.00 0.00 C ATOM 899 C LYS A 59 7.035 -4.106 1.810 1.00 0.00 C ATOM 900 O LYS A 59 6.369 -4.661 0.960 1.00 0.00 O ATOM 901 CB LYS A 59 6.923 -5.792 3.650 1.00 0.00 C ATOM 902 CG LYS A 59 6.768 -5.985 5.160 1.00 0.00 C ATOM 903 CD LYS A 59 7.567 -7.212 5.603 1.00 0.00 C ATOM 904 CE LYS A 59 6.746 -8.024 6.608 1.00 0.00 C ATOM 905 NZ LYS A 59 6.708 -9.452 6.181 1.00 0.00 N ATOM 0 H LYS A 59 4.652 -4.165 2.927 1.00 0.00 H new ATOM 0 HA LYS A 59 7.444 -3.710 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.183 -6.391 3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.905 -6.139 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.120 -5.099 5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.716 -6.112 5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.815 -7.828 4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.509 -6.901 6.054 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.185 -7.942 7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.733 -7.626 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.150 -10.004 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.271 -9.521 5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.677 -9.828 6.141 1.00 0.00 H new ATOM 919 N VAL A 60 8.031 -3.322 1.488 1.00 0.00 N ATOM 920 CA VAL A 60 8.371 -3.094 0.053 1.00 0.00 C ATOM 921 C VAL A 60 8.504 -4.444 -0.645 1.00 0.00 C ATOM 922 O VAL A 60 9.561 -5.041 -0.671 1.00 0.00 O ATOM 923 CB VAL A 60 9.695 -2.330 -0.039 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.240 -2.404 -1.465 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.463 -0.865 0.337 1.00 0.00 C ATOM 0 H VAL A 60 8.623 -2.830 2.157 1.00 0.00 H new ATOM 0 HA VAL A 60 7.586 -2.510 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 60 10.415 -2.778 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.182 -1.858 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.407 -3.446 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.520 -1.960 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.404 -0.319 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.740 -0.424 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.079 -0.807 1.356 1.00 0.00 H new ATOM 1112 N LEU A 71 4.091 -2.522 -2.511 1.00 0.00 N ATOM 1113 CA LEU A 71 4.248 -2.757 -1.049 1.00 0.00 C ATOM 1114 C LEU A 71 3.401 -3.953 -0.620 1.00 0.00 C ATOM 1115 O LEU A 71 2.519 -4.394 -1.329 1.00 0.00 O ATOM 1116 CB LEU A 71 3.796 -1.509 -0.287 1.00 0.00 C ATOM 1117 CG LEU A 71 4.900 -0.448 -0.326 1.00 0.00 C ATOM 1118 CD1 LEU A 71 5.998 -0.817 0.673 1.00 0.00 C ATOM 1119 CD2 LEU A 71 5.499 -0.378 -1.735 1.00 0.00 C ATOM 0 HA LEU A 71 5.295 -2.965 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.882 -1.113 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.563 -1.767 0.746 1.00 0.00 H new ATOM 0 HG LEU A 71 4.477 0.521 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.784 -0.062 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.576 -0.865 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.418 -1.788 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.284 0.378 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.920 -1.348 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.719 -0.114 -2.449 1.00 0.00 H new ATOM 1131 N SER A 72 3.670 -4.481 0.542 1.00 0.00 N ATOM 1132 CA SER A 72 2.893 -5.651 1.033 1.00 0.00 C ATOM 1133 C SER A 72 2.186 -5.279 2.339 1.00 0.00 C ATOM 1134 O SER A 72 2.814 -5.047 3.353 1.00 0.00 O ATOM 1135 CB SER A 72 3.846 -6.816 1.276 1.00 0.00 C ATOM 1136 OG SER A 72 3.554 -7.861 0.358 1.00 0.00 O ATOM 0 H SER A 72 4.398 -4.150 1.175 1.00 0.00 H new ATOM 0 HA SER A 72 2.148 -5.939 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.878 -6.488 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.744 -7.177 2.300 1.00 0.00 H new ATOM 0 HG SER A 72 4.166 -8.611 0.510 1.00 0.00 H new ATOM 1142 N ILE A 73 0.883 -5.212 2.319 1.00 0.00 N ATOM 1143 CA ILE A 73 0.132 -4.848 3.554 1.00 0.00 C ATOM 1144 C ILE A 73 0.517 -5.812 4.686 1.00 0.00 C ATOM 1145 O ILE A 73 0.615 -7.007 4.488 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.382 -4.895 3.244 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.982 -3.509 3.497 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.117 -5.928 4.111 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.425 -3.477 2.993 1.00 0.00 C ATOM 0 H ILE A 73 0.305 -5.394 1.499 1.00 0.00 H new ATOM 0 HA ILE A 73 0.383 -3.839 3.881 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.504 -5.190 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.952 -3.277 4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.391 -2.747 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.177 -5.926 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.702 -6.919 3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.994 -5.673 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.852 -2.490 3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.442 -3.690 1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.012 -4.228 3.522 1.00 0.00 H new ATOM 1161 N LYS A 74 0.746 -5.296 5.868 1.00 0.00 N ATOM 1162 CA LYS A 74 1.136 -6.176 7.010 1.00 0.00 C ATOM 1163 C LYS A 74 0.301 -7.452 6.988 1.00 0.00 C ATOM 1164 O LYS A 74 0.786 -8.534 7.254 1.00 0.00 O ATOM 1165 CB LYS A 74 0.907 -5.440 8.331 1.00 0.00 C ATOM 1166 CG LYS A 74 1.782 -6.062 9.421 1.00 0.00 C ATOM 1167 CD LYS A 74 0.934 -6.989 10.294 1.00 0.00 C ATOM 1168 CE LYS A 74 1.209 -6.692 11.769 1.00 0.00 C ATOM 1169 NZ LYS A 74 1.552 -7.959 12.477 1.00 0.00 N ATOM 0 H LYS A 74 0.679 -4.303 6.090 1.00 0.00 H new ATOM 0 HA LYS A 74 2.191 -6.433 6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.147 -4.383 8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.144 -5.500 8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.601 -6.621 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.230 -5.279 10.033 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.124 -6.846 10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.168 -8.030 10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.028 -5.979 11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.333 -6.232 12.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.739 -7.757 13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.757 -8.625 12.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.399 -8.380 12.045 1.00 0.00 H new