USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 576 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 8 MET CE :methyl 137:sc= -1.29 (180deg=-2.49) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 140:sc= -1.18 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 38 SER OG : rot 68:sc= 0.908 USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0733) USER MOD Single : A 42 ASN : amide:sc= -0.0903 K(o=-0.09,f=-1.6!) USER MOD Single : A 47 GLN : amide:sc= -0.0208 K(o=-0.021,f=-3.7!) USER MOD Single : A 48 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0793) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0202) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 174:sc= 0 USER MOD Single : A 66 TYR OH : rot 135:sc= 0.974 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 114:sc= 0.483 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.144 -14.006 4.780 1.00 0.00 N ATOM 60 CA GLY A 7 5.724 -12.963 3.862 1.00 0.00 C ATOM 61 C GLY A 7 6.744 -11.847 3.746 1.00 0.00 C ATOM 62 O GLY A 7 7.948 -12.099 3.718 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.552 -13.398 2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.773 -12.549 4.198 1.00 0.00 H new ATOM 66 N MET A 8 6.261 -10.611 3.677 1.00 0.00 N ATOM 67 CA MET A 8 7.141 -9.453 3.562 1.00 0.00 C ATOM 68 C MET A 8 6.529 -8.236 4.249 1.00 0.00 C ATOM 69 O MET A 8 5.309 -8.120 4.352 1.00 0.00 O ATOM 70 CB MET A 8 7.416 -9.138 2.091 1.00 0.00 C ATOM 71 CG MET A 8 6.180 -8.698 1.322 1.00 0.00 C ATOM 72 SD MET A 8 6.585 -7.877 -0.231 1.00 0.00 S ATOM 73 CE MET A 8 4.995 -7.176 -0.668 1.00 0.00 C ATOM 0 H MET A 8 5.267 -10.385 3.699 1.00 0.00 H new ATOM 0 HA MET A 8 8.082 -9.693 4.056 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.170 -8.353 2.031 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.837 -10.022 1.611 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.556 -9.568 1.117 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.592 -8.023 1.943 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.134 -6.157 -1.030 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.534 -7.779 -1.450 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.349 -7.165 0.210 1.00 0.00 H new ATOM 83 N GLN A 9 7.386 -7.334 4.717 1.00 0.00 N ATOM 84 CA GLN A 9 6.928 -6.126 5.394 1.00 0.00 C ATOM 85 C GLN A 9 6.885 -4.945 4.431 1.00 0.00 C ATOM 86 O GLN A 9 7.742 -4.811 3.557 1.00 0.00 O ATOM 87 CB GLN A 9 7.842 -5.802 6.577 1.00 0.00 C ATOM 88 CG GLN A 9 7.243 -4.803 7.553 1.00 0.00 C ATOM 89 CD GLN A 9 8.131 -4.560 8.758 1.00 0.00 C ATOM 90 OE1 GLN A 9 7.850 -5.039 9.857 1.00 0.00 O ATOM 91 NE2 GLN A 9 9.210 -3.813 8.558 1.00 0.00 N ATOM 0 H GLN A 9 8.400 -7.417 4.640 1.00 0.00 H new ATOM 0 HA GLN A 9 5.918 -6.307 5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.073 -6.724 7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.785 -5.407 6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.069 -3.858 7.039 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.272 -5.167 7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.405 -3.436 7.630 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.845 -3.616 9.332 1.00 0.00 H new ATOM 100 N LEU A 10 5.882 -4.090 4.597 1.00 0.00 N ATOM 101 CA LEU A 10 5.726 -2.918 3.741 1.00 0.00 C ATOM 102 C LEU A 10 5.525 -1.657 4.576 1.00 0.00 C ATOM 103 O LEU A 10 4.731 -1.642 5.517 1.00 0.00 O ATOM 104 CB LEU A 10 4.542 -3.109 2.792 1.00 0.00 C ATOM 105 CG LEU A 10 4.756 -4.092 1.641 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.602 -4.018 0.653 1.00 0.00 C ATOM 107 CD2 LEU A 10 6.078 -3.813 0.940 1.00 0.00 C ATOM 0 H LEU A 10 5.165 -4.186 5.316 1.00 0.00 H new ATOM 0 HA LEU A 10 6.638 -2.802 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.685 -3.445 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.280 -2.139 2.370 1.00 0.00 H new ATOM 0 HG LEU A 10 4.791 -5.101 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.772 -4.725 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.671 -4.267 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.535 -3.009 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.214 -4.522 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.072 -2.798 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.897 -3.918 1.652 1.00 0.00 H new ATOM 119 N THR A 11 6.249 -0.599 4.224 1.00 0.00 N ATOM 120 CA THR A 11 6.150 0.667 4.940 1.00 0.00 C ATOM 121 C THR A 11 5.519 1.744 4.065 1.00 0.00 C ATOM 122 O THR A 11 6.191 2.356 3.234 1.00 0.00 O ATOM 123 CB THR A 11 7.532 1.152 5.416 1.00 0.00 C ATOM 124 OG1 THR A 11 8.336 0.034 5.806 1.00 0.00 O ATOM 125 CG2 THR A 11 7.393 2.116 6.585 1.00 0.00 C ATOM 0 H THR A 11 6.910 -0.594 3.447 1.00 0.00 H new ATOM 0 HA THR A 11 5.516 0.491 5.809 1.00 0.00 H new ATOM 0 HB THR A 11 8.014 1.674 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.214 0.351 6.106 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.382 2.445 6.904 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.805 2.980 6.276 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.893 1.614 7.413 1.00 0.00 H new ATOM 133 N VAL A 12 4.224 1.974 4.258 1.00 0.00 N ATOM 134 CA VAL A 12 3.502 2.980 3.488 1.00 0.00 C ATOM 135 C VAL A 12 3.717 4.373 4.068 1.00 0.00 C ATOM 136 O VAL A 12 3.432 4.622 5.240 1.00 0.00 O ATOM 137 CB VAL A 12 1.992 2.679 3.448 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.255 3.753 2.662 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.739 1.302 2.852 1.00 0.00 C ATOM 0 H VAL A 12 3.653 1.477 4.942 1.00 0.00 H new ATOM 0 HA VAL A 12 3.898 2.947 2.473 1.00 0.00 H new ATOM 0 HB VAL A 12 1.611 2.683 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.189 3.524 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.410 4.722 3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.637 3.783 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.667 1.106 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.134 1.267 1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.235 0.546 3.460 1.00 0.00 H new ATOM 149 N LYS A 13 4.221 5.281 3.239 1.00 0.00 N ATOM 150 CA LYS A 13 4.472 6.652 3.667 1.00 0.00 C ATOM 151 C LYS A 13 3.647 7.639 2.847 1.00 0.00 C ATOM 152 O LYS A 13 3.591 7.547 1.621 1.00 0.00 O ATOM 153 CB LYS A 13 5.960 6.984 3.536 1.00 0.00 C ATOM 154 CG LYS A 13 6.381 8.215 4.322 1.00 0.00 C ATOM 155 CD LYS A 13 7.790 8.652 3.961 1.00 0.00 C ATOM 156 CE LYS A 13 7.821 9.391 2.632 1.00 0.00 C ATOM 157 NZ LYS A 13 9.211 9.566 2.127 1.00 0.00 N ATOM 0 H LYS A 13 4.464 5.092 2.267 1.00 0.00 H new ATOM 0 HA LYS A 13 4.176 6.739 4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.545 6.129 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.198 7.136 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.685 9.030 4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.327 8.002 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.185 9.297 4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.441 7.779 3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.234 8.841 1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.351 10.368 2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.189 10.074 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.765 10.113 2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.651 8.634 1.991 1.00 0.00 H new ATOM 171 N ALA A 14 3.009 8.582 3.532 1.00 0.00 N ATOM 172 CA ALA A 14 2.189 9.587 2.866 1.00 0.00 C ATOM 173 C ALA A 14 3.001 10.840 2.557 1.00 0.00 C ATOM 174 O ALA A 14 3.970 11.152 3.251 1.00 0.00 O ATOM 175 CB ALA A 14 0.982 9.936 3.724 1.00 0.00 C ATOM 0 H ALA A 14 3.044 8.671 4.547 1.00 0.00 H new ATOM 0 HA ALA A 14 1.841 9.169 1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.379 10.687 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.383 9.041 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.319 10.330 4.683 1.00 0.00 H new ATOM 224 N ARG A 18 2.611 11.029 7.558 1.00 0.00 N ATOM 225 CA ARG A 18 1.980 9.866 8.170 1.00 0.00 C ATOM 226 C ARG A 18 2.377 8.586 7.441 1.00 0.00 C ATOM 227 O ARG A 18 2.300 8.510 6.215 1.00 0.00 O ATOM 228 CB ARG A 18 0.458 10.020 8.160 1.00 0.00 C ATOM 229 CG ARG A 18 -0.079 10.829 9.329 1.00 0.00 C ATOM 230 CD ARG A 18 -0.305 9.956 10.554 1.00 0.00 C ATOM 231 NE ARG A 18 -0.634 10.747 11.737 1.00 0.00 N ATOM 232 CZ ARG A 18 -0.797 10.225 12.947 1.00 0.00 C ATOM 233 NH1 ARG A 18 -0.664 8.920 13.134 1.00 0.00 N ATOM 234 NH2 ARG A 18 -1.095 11.011 13.975 1.00 0.00 N ATOM 0 HA ARG A 18 2.324 9.798 9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.156 10.498 7.228 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.001 9.031 8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.623 11.627 9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.016 11.306 9.043 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.112 9.252 10.353 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.591 9.367 10.750 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.745 11.755 11.628 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.436 8.313 12.347 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.790 8.523 14.065 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.199 12.016 13.835 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.220 10.610 14.904 1.00 0.00 H new ATOM 248 N GLU A 19 2.802 7.583 8.204 1.00 0.00 N ATOM 249 CA GLU A 19 3.212 6.307 7.629 1.00 0.00 C ATOM 250 C GLU A 19 2.925 5.159 8.592 1.00 0.00 C ATOM 251 O GLU A 19 2.492 5.378 9.725 1.00 0.00 O ATOM 252 CB GLU A 19 4.702 6.335 7.281 1.00 0.00 C ATOM 253 CG GLU A 19 5.602 6.581 8.480 1.00 0.00 C ATOM 254 CD GLU A 19 6.980 5.970 8.310 1.00 0.00 C ATOM 255 OE1 GLU A 19 7.075 4.726 8.261 1.00 0.00 O ATOM 256 OE2 GLU A 19 7.963 6.736 8.226 1.00 0.00 O ATOM 0 H GLU A 19 2.871 7.630 9.221 1.00 0.00 H new ATOM 0 HA GLU A 19 2.636 6.146 6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.977 5.386 6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.879 7.113 6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.702 7.654 8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.133 6.167 9.373 1.00 0.00 H new ATOM 263 N CYS A 20 3.167 3.936 8.134 1.00 0.00 N ATOM 264 CA CYS A 20 2.933 2.753 8.954 1.00 0.00 C ATOM 265 C CYS A 20 3.453 1.499 8.259 1.00 0.00 C ATOM 266 O CYS A 20 3.524 1.441 7.032 1.00 0.00 O ATOM 267 CB CYS A 20 1.441 2.602 9.255 1.00 0.00 C ATOM 268 SG CYS A 20 1.075 1.488 10.631 1.00 0.00 S ATOM 0 H CYS A 20 3.525 3.738 7.200 1.00 0.00 H new ATOM 0 HA CYS A 20 3.474 2.878 9.892 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.025 3.585 9.476 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.936 2.236 8.361 1.00 0.00 H new ATOM 0 HG CYS A 20 0.110 1.985 11.347 1.00 0.00 H new ATOM 274 N SER A 21 3.817 0.496 9.053 1.00 0.00 N ATOM 275 CA SER A 21 4.336 -0.755 8.514 1.00 0.00 C ATOM 276 C SER A 21 3.347 -1.895 8.739 1.00 0.00 C ATOM 277 O SER A 21 2.600 -1.901 9.718 1.00 0.00 O ATOM 278 CB SER A 21 5.680 -1.096 9.162 1.00 0.00 C ATOM 279 OG SER A 21 5.544 -1.255 10.564 1.00 0.00 O ATOM 0 H SER A 21 3.762 0.526 10.071 1.00 0.00 H new ATOM 0 HA SER A 21 4.480 -0.628 7.441 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.076 -2.013 8.725 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.400 -0.306 8.951 1.00 0.00 H new ATOM 0 HG SER A 21 6.416 -1.474 10.954 1.00 0.00 H new ATOM 285 N LEU A 22 3.348 -2.859 7.825 1.00 0.00 N ATOM 286 CA LEU A 22 2.451 -4.006 7.921 1.00 0.00 C ATOM 287 C LEU A 22 3.135 -5.275 7.426 1.00 0.00 C ATOM 288 O LEU A 22 4.186 -5.216 6.788 1.00 0.00 O ATOM 289 CB LEU A 22 1.177 -3.751 7.113 1.00 0.00 C ATOM 290 CG LEU A 22 0.040 -3.050 7.857 1.00 0.00 C ATOM 291 CD1 LEU A 22 -0.797 -2.221 6.894 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.830 -4.067 8.582 1.00 0.00 C ATOM 0 H LEU A 22 3.960 -2.870 7.009 1.00 0.00 H new ATOM 0 HA LEU A 22 2.188 -4.143 8.970 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.438 -3.152 6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.807 -4.708 6.743 1.00 0.00 H new ATOM 0 HG LEU A 22 0.476 -2.380 8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.601 -1.729 7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.167 -1.468 6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.223 -2.871 6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.634 -3.550 9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.256 -4.762 7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.224 -4.618 9.301 1.00 0.00 H new ATOM 304 N GLN A 23 2.531 -6.422 7.723 1.00 0.00 N ATOM 305 CA GLN A 23 3.083 -7.705 7.306 1.00 0.00 C ATOM 306 C GLN A 23 2.184 -8.373 6.270 1.00 0.00 C ATOM 307 O GLN A 23 1.067 -8.789 6.578 1.00 0.00 O ATOM 308 CB GLN A 23 3.258 -8.626 8.516 1.00 0.00 C ATOM 309 CG GLN A 23 1.949 -8.988 9.199 1.00 0.00 C ATOM 310 CD GLN A 23 2.156 -9.571 10.583 1.00 0.00 C ATOM 311 OE1 GLN A 23 3.193 -10.170 10.869 1.00 0.00 O ATOM 312 NE2 GLN A 23 1.167 -9.398 11.452 1.00 0.00 N ATOM 0 H GLN A 23 1.660 -6.488 8.250 1.00 0.00 H new ATOM 0 HA GLN A 23 4.057 -7.523 6.852 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.757 -9.541 8.197 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.914 -8.141 9.239 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.324 -8.098 9.273 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.409 -9.707 8.583 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.325 -8.895 11.173 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.250 -9.768 12.399 1.00 0.00 H new ATOM 321 N VAL A 24 2.680 -8.473 5.041 1.00 0.00 N ATOM 322 CA VAL A 24 1.922 -9.090 3.959 1.00 0.00 C ATOM 323 C VAL A 24 2.846 -9.811 2.983 1.00 0.00 C ATOM 324 O VAL A 24 4.017 -9.465 2.828 1.00 0.00 O ATOM 325 CB VAL A 24 1.092 -8.047 3.188 1.00 0.00 C ATOM 326 CG1 VAL A 24 -0.036 -7.513 4.057 1.00 0.00 C ATOM 327 CG2 VAL A 24 1.982 -6.914 2.700 1.00 0.00 C ATOM 0 H VAL A 24 3.603 -8.135 4.770 1.00 0.00 H new ATOM 0 HA VAL A 24 1.247 -9.812 4.418 1.00 0.00 H new ATOM 0 HB VAL A 24 0.649 -8.532 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.611 -6.777 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.688 -8.335 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.382 -7.043 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.379 -6.186 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.455 -6.429 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.750 -7.314 2.039 1.00 0.00 H new ATOM 337 N PRO A 25 2.308 -10.838 2.309 1.00 0.00 N ATOM 338 CA PRO A 25 3.066 -11.629 1.335 1.00 0.00 C ATOM 339 C PRO A 25 3.387 -10.840 0.071 1.00 0.00 C ATOM 340 O PRO A 25 3.009 -9.676 -0.057 1.00 0.00 O ATOM 341 CB PRO A 25 2.125 -12.793 1.014 1.00 0.00 C ATOM 342 CG PRO A 25 0.761 -12.267 1.298 1.00 0.00 C ATOM 343 CD PRO A 25 0.918 -11.306 2.444 1.00 0.00 C ATOM 0 HA PRO A 25 4.034 -11.941 1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.221 -13.104 -0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.349 -13.664 1.629 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.346 -11.767 0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.077 -13.075 1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.208 -10.482 2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.750 -11.794 3.404 1.00 0.00 H new ATOM 351 N GLU A 26 4.087 -11.481 -0.860 1.00 0.00 N ATOM 352 CA GLU A 26 4.459 -10.836 -2.115 1.00 0.00 C ATOM 353 C GLU A 26 3.330 -10.942 -3.136 1.00 0.00 C ATOM 354 O GLU A 26 3.155 -10.060 -3.977 1.00 0.00 O ATOM 355 CB GLU A 26 5.733 -11.467 -2.679 1.00 0.00 C ATOM 356 CG GLU A 26 5.609 -12.958 -2.943 1.00 0.00 C ATOM 357 CD GLU A 26 6.825 -13.529 -3.646 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.313 -12.890 -4.601 1.00 0.00 O ATOM 359 OE2 GLU A 26 7.288 -14.616 -3.242 1.00 0.00 O ATOM 0 H GLU A 26 4.408 -12.445 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 26 4.644 -9.781 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.997 -10.963 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.552 -11.297 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.462 -13.480 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.723 -13.143 -3.550 1.00 0.00 H new ATOM 366 N ASP A 27 2.567 -12.027 -3.056 1.00 0.00 N ATOM 367 CA ASP A 27 1.455 -12.249 -3.973 1.00 0.00 C ATOM 368 C ASP A 27 0.173 -11.624 -3.432 1.00 0.00 C ATOM 369 O ASP A 27 -0.928 -11.992 -3.841 1.00 0.00 O ATOM 370 CB ASP A 27 1.249 -13.746 -4.205 1.00 0.00 C ATOM 371 CG ASP A 27 2.391 -14.375 -4.978 1.00 0.00 C ATOM 372 OD1 ASP A 27 2.576 -14.015 -6.160 1.00 0.00 O ATOM 373 OD2 ASP A 27 3.100 -15.227 -4.403 1.00 0.00 O ATOM 0 H ASP A 27 2.698 -12.766 -2.366 1.00 0.00 H new ATOM 0 HA ASP A 27 1.698 -11.773 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.145 -14.249 -3.243 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.317 -13.902 -4.749 1.00 0.00 H new ATOM 378 N GLU A 28 0.324 -10.678 -2.510 1.00 0.00 N ATOM 379 CA GLU A 28 -0.823 -10.004 -1.913 1.00 0.00 C ATOM 380 C GLU A 28 -1.534 -9.126 -2.939 1.00 0.00 C ATOM 381 O GLU A 28 -0.894 -8.488 -3.776 1.00 0.00 O ATOM 382 CB GLU A 28 -0.379 -9.155 -0.720 1.00 0.00 C ATOM 383 CG GLU A 28 -1.519 -8.762 0.205 1.00 0.00 C ATOM 384 CD GLU A 28 -1.981 -9.910 1.082 1.00 0.00 C ATOM 385 OE1 GLU A 28 -2.076 -11.045 0.572 1.00 0.00 O ATOM 386 OE2 GLU A 28 -2.247 -9.671 2.279 1.00 0.00 O ATOM 0 H GLU A 28 1.229 -10.361 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.521 -10.767 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.367 -9.708 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.107 -8.251 -1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.200 -7.933 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.359 -8.404 -0.391 1.00 0.00 H new ATOM 393 N LEU A 29 -2.860 -9.100 -2.869 1.00 0.00 N ATOM 394 CA LEU A 29 -3.659 -8.301 -3.791 1.00 0.00 C ATOM 395 C LEU A 29 -3.680 -6.836 -3.366 1.00 0.00 C ATOM 396 O LEU A 29 -3.794 -6.524 -2.181 1.00 0.00 O ATOM 397 CB LEU A 29 -5.088 -8.844 -3.861 1.00 0.00 C ATOM 398 CG LEU A 29 -5.227 -10.367 -3.881 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.692 -10.770 -3.824 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.560 -10.947 -5.120 1.00 0.00 C ATOM 0 H LEU A 29 -3.405 -9.623 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.203 -8.367 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.644 -8.460 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.564 -8.444 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.726 -10.770 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.771 -11.857 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.139 -10.386 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.217 -10.356 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.669 -12.032 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.032 -10.537 -6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.501 -10.688 -5.118 1.00 0.00 H new ATOM 412 N VAL A 30 -3.572 -5.941 -4.342 1.00 0.00 N ATOM 413 CA VAL A 30 -3.581 -4.508 -4.070 1.00 0.00 C ATOM 414 C VAL A 30 -4.865 -4.092 -3.360 1.00 0.00 C ATOM 415 O VAL A 30 -4.883 -3.117 -2.610 1.00 0.00 O ATOM 416 CB VAL A 30 -3.437 -3.690 -5.367 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.238 -2.216 -5.049 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.285 -4.222 -6.207 1.00 0.00 C ATOM 0 H VAL A 30 -3.477 -6.182 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.728 -4.303 -3.423 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.356 -3.792 -5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.138 -1.654 -5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.098 -1.845 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.335 -2.091 -4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.198 -3.632 -7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.357 -4.151 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.474 -5.264 -6.465 1.00 0.00 H new ATOM 428 N SER A 31 -5.937 -4.840 -3.602 1.00 0.00 N ATOM 429 CA SER A 31 -7.227 -4.547 -2.988 1.00 0.00 C ATOM 430 C SER A 31 -7.167 -4.744 -1.477 1.00 0.00 C ATOM 431 O SER A 31 -7.798 -4.009 -0.717 1.00 0.00 O ATOM 432 CB SER A 31 -8.315 -5.441 -3.587 1.00 0.00 C ATOM 433 OG SER A 31 -9.528 -5.323 -2.863 1.00 0.00 O ATOM 0 H SER A 31 -5.938 -5.653 -4.218 1.00 0.00 H new ATOM 0 HA SER A 31 -7.470 -3.504 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.482 -5.168 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.982 -6.479 -3.579 1.00 0.00 H new ATOM 0 HG SER A 31 -10.207 -5.903 -3.266 1.00 0.00 H new ATOM 439 N THR A 32 -6.401 -5.742 -1.046 1.00 0.00 N ATOM 440 CA THR A 32 -6.257 -6.038 0.374 1.00 0.00 C ATOM 441 C THR A 32 -5.112 -5.241 0.988 1.00 0.00 C ATOM 442 O THR A 32 -5.206 -4.777 2.125 1.00 0.00 O ATOM 443 CB THR A 32 -6.009 -7.539 0.612 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.051 -8.311 0.004 1.00 0.00 O ATOM 445 CG2 THR A 32 -5.946 -7.847 2.101 1.00 0.00 C ATOM 0 H THR A 32 -5.871 -6.359 -1.661 1.00 0.00 H new ATOM 0 HA THR A 32 -7.193 -5.752 0.854 1.00 0.00 H new ATOM 0 HB THR A 32 -5.052 -7.803 0.161 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.885 -9.264 0.159 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.770 -8.913 2.245 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.133 -7.280 2.556 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.889 -7.568 2.570 1.00 0.00 H new ATOM 453 N LEU A 33 -4.033 -5.086 0.231 1.00 0.00 N ATOM 454 CA LEU A 33 -2.868 -4.343 0.701 1.00 0.00 C ATOM 455 C LEU A 33 -3.262 -2.939 1.149 1.00 0.00 C ATOM 456 O LEU A 33 -2.619 -2.350 2.018 1.00 0.00 O ATOM 457 CB LEU A 33 -1.811 -4.261 -0.402 1.00 0.00 C ATOM 458 CG LEU A 33 -1.049 -5.553 -0.697 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.614 -5.595 -2.154 1.00 0.00 C ATOM 460 CD2 LEU A 33 0.156 -5.685 0.224 1.00 0.00 C ATOM 0 H LEU A 33 -3.939 -5.465 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.451 -4.874 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.297 -3.932 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.089 -3.491 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.716 -6.395 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.073 -6.522 -2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.493 -5.548 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.036 -4.745 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.686 -6.611 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.825 -4.838 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.179 -5.701 1.261 1.00 0.00 H new ATOM 472 N LYS A 34 -4.324 -2.410 0.551 1.00 0.00 N ATOM 473 CA LYS A 34 -4.807 -1.076 0.890 1.00 0.00 C ATOM 474 C LYS A 34 -5.780 -1.132 2.063 1.00 0.00 C ATOM 475 O LYS A 34 -5.627 -0.403 3.043 1.00 0.00 O ATOM 476 CB LYS A 34 -5.489 -0.435 -0.321 1.00 0.00 C ATOM 477 CG LYS A 34 -4.538 -0.143 -1.470 1.00 0.00 C ATOM 478 CD LYS A 34 -5.275 -0.063 -2.796 1.00 0.00 C ATOM 479 CE LYS A 34 -4.580 0.883 -3.763 1.00 0.00 C ATOM 480 NZ LYS A 34 -5.241 0.896 -5.098 1.00 0.00 N ATOM 0 H LYS A 34 -4.867 -2.884 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.949 -0.469 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.280 -1.096 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.966 0.494 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.019 0.797 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.778 -0.922 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.338 -1.057 -3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.297 0.275 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.580 1.891 -3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.538 0.585 -3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.738 1.553 -5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.219 -0.061 -5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.229 1.205 -4.993 1.00 0.00 H new ATOM 494 N GLN A 35 -6.779 -2.002 1.957 1.00 0.00 N ATOM 495 CA GLN A 35 -7.776 -2.152 3.010 1.00 0.00 C ATOM 496 C GLN A 35 -7.109 -2.360 4.366 1.00 0.00 C ATOM 497 O GLN A 35 -7.686 -2.048 5.408 1.00 0.00 O ATOM 498 CB GLN A 35 -8.704 -3.328 2.700 1.00 0.00 C ATOM 499 CG GLN A 35 -9.654 -3.063 1.543 1.00 0.00 C ATOM 500 CD GLN A 35 -10.441 -4.296 1.141 1.00 0.00 C ATOM 501 OE1 GLN A 35 -9.873 -5.369 0.937 1.00 0.00 O ATOM 502 NE2 GLN A 35 -11.755 -4.147 1.024 1.00 0.00 N ATOM 0 H GLN A 35 -6.919 -2.614 1.153 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.364 -1.235 3.051 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.100 -4.206 2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.286 -3.566 3.590 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.347 -2.269 1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.085 -2.704 0.685 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.183 -3.239 1.203 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.336 -4.941 0.755 1.00 0.00 H new ATOM 511 N LEU A 36 -5.890 -2.890 4.344 1.00 0.00 N ATOM 512 CA LEU A 36 -5.143 -3.140 5.572 1.00 0.00 C ATOM 513 C LEU A 36 -4.728 -1.830 6.234 1.00 0.00 C ATOM 514 O LEU A 36 -4.951 -1.628 7.428 1.00 0.00 O ATOM 515 CB LEU A 36 -3.906 -3.989 5.275 1.00 0.00 C ATOM 516 CG LEU A 36 -4.161 -5.469 4.985 1.00 0.00 C ATOM 517 CD1 LEU A 36 -2.934 -6.108 4.353 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.552 -6.203 6.259 1.00 0.00 C ATOM 0 H LEU A 36 -5.399 -3.154 3.490 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.792 -3.682 6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.390 -3.555 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.228 -3.918 6.126 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.988 -5.544 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.134 -7.161 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.700 -5.600 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.087 -6.022 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.730 -7.254 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.747 -6.119 6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.460 -5.762 6.669 1.00 0.00 H new ATOM 530 N VAL A 37 -4.125 -0.942 5.450 1.00 0.00 N ATOM 531 CA VAL A 37 -3.682 0.350 5.959 1.00 0.00 C ATOM 532 C VAL A 37 -4.870 1.239 6.312 1.00 0.00 C ATOM 533 O VAL A 37 -4.787 2.076 7.210 1.00 0.00 O ATOM 534 CB VAL A 37 -2.794 1.082 4.935 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.186 2.332 5.553 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.708 0.153 4.413 1.00 0.00 C ATOM 0 H VAL A 37 -3.932 -1.094 4.460 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.100 0.153 6.859 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.415 1.387 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.562 2.836 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.982 3.003 5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.577 2.053 6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.090 0.686 3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.087 -0.184 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.168 -0.709 3.931 1.00 0.00 H new ATOM 546 N SER A 38 -5.976 1.050 5.599 1.00 0.00 N ATOM 547 CA SER A 38 -7.181 1.836 5.834 1.00 0.00 C ATOM 548 C SER A 38 -7.647 1.697 7.280 1.00 0.00 C ATOM 549 O SER A 38 -8.403 2.528 7.781 1.00 0.00 O ATOM 550 CB SER A 38 -8.295 1.398 4.882 1.00 0.00 C ATOM 551 OG SER A 38 -9.572 1.664 5.435 1.00 0.00 O ATOM 0 H SER A 38 -6.062 0.359 4.854 1.00 0.00 H new ATOM 0 HA SER A 38 -6.944 2.883 5.646 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.191 1.920 3.931 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.201 0.332 4.673 1.00 0.00 H new ATOM 0 HG SER A 38 -9.710 2.633 5.488 1.00 0.00 H new ATOM 557 N GLU A 39 -7.189 0.640 7.943 1.00 0.00 N ATOM 558 CA GLU A 39 -7.560 0.391 9.331 1.00 0.00 C ATOM 559 C GLU A 39 -6.507 0.950 10.284 1.00 0.00 C ATOM 560 O GLU A 39 -6.800 1.259 11.440 1.00 0.00 O ATOM 561 CB GLU A 39 -7.738 -1.109 9.574 1.00 0.00 C ATOM 562 CG GLU A 39 -9.037 -1.666 9.016 1.00 0.00 C ATOM 563 CD GLU A 39 -9.165 -3.163 9.220 1.00 0.00 C ATOM 564 OE1 GLU A 39 -8.618 -3.923 8.394 1.00 0.00 O ATOM 565 OE2 GLU A 39 -9.813 -3.574 10.205 1.00 0.00 O ATOM 0 H GLU A 39 -6.561 -0.057 7.542 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.506 0.897 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.901 -1.643 9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.701 -1.302 10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.878 -1.165 9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.096 -1.442 7.951 1.00 0.00 H new ATOM 572 N LYS A 40 -5.279 1.077 9.792 1.00 0.00 N ATOM 573 CA LYS A 40 -4.181 1.599 10.597 1.00 0.00 C ATOM 574 C LYS A 40 -4.268 3.117 10.716 1.00 0.00 C ATOM 575 O LYS A 40 -4.348 3.660 11.819 1.00 0.00 O ATOM 576 CB LYS A 40 -2.837 1.201 9.983 1.00 0.00 C ATOM 577 CG LYS A 40 -2.406 -0.214 10.328 1.00 0.00 C ATOM 578 CD LYS A 40 -1.857 -0.300 11.742 1.00 0.00 C ATOM 579 CE LYS A 40 -1.818 -1.738 12.238 1.00 0.00 C ATOM 580 NZ LYS A 40 -0.636 -2.475 11.710 1.00 0.00 N ATOM 0 H LYS A 40 -5.019 0.825 8.838 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.259 1.169 11.595 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.899 1.299 8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.071 1.898 10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.255 -0.889 10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.646 -0.547 9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.853 0.123 11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.474 0.300 12.410 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.794 -1.746 13.328 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.731 -2.251 11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.707 -3.479 11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.608 -2.389 10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.233 -2.073 12.115 1.00 0.00 H new ATOM 594 N LEU A 41 -4.253 3.797 9.575 1.00 0.00 N ATOM 595 CA LEU A 41 -4.331 5.254 9.552 1.00 0.00 C ATOM 596 C LEU A 41 -5.782 5.722 9.597 1.00 0.00 C ATOM 597 O LEU A 41 -6.070 6.902 9.404 1.00 0.00 O ATOM 598 CB LEU A 41 -3.646 5.801 8.298 1.00 0.00 C ATOM 599 CG LEU A 41 -2.149 5.517 8.174 1.00 0.00 C ATOM 600 CD1 LEU A 41 -1.707 5.610 6.722 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.349 6.480 9.040 1.00 0.00 C ATOM 0 H LEU A 41 -4.188 3.363 8.654 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.818 5.635 10.435 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.148 5.386 7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.794 6.880 8.269 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.961 4.503 8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.639 5.405 6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.256 4.880 6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.909 6.612 6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.286 6.263 8.939 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.542 7.504 8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.646 6.364 10.082 1.00 0.00 H new ATOM 613 N ASN A 42 -6.692 4.788 9.856 1.00 0.00 N ATOM 614 CA ASN A 42 -8.114 5.105 9.929 1.00 0.00 C ATOM 615 C ASN A 42 -8.548 5.935 8.725 1.00 0.00 C ATOM 616 O ASN A 42 -9.258 6.931 8.867 1.00 0.00 O ATOM 617 CB ASN A 42 -8.423 5.862 11.223 1.00 0.00 C ATOM 618 CG ASN A 42 -8.612 4.931 12.405 1.00 0.00 C ATOM 619 OD1 ASN A 42 -9.015 3.779 12.245 1.00 0.00 O ATOM 620 ND2 ASN A 42 -8.320 5.429 13.602 1.00 0.00 N ATOM 0 H ASN A 42 -6.470 3.806 10.019 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.671 4.168 9.922 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.611 6.557 11.437 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.325 6.458 11.086 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.427 4.850 14.435 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.989 6.390 13.688 1.00 0.00 H new ATOM 627 N VAL A 43 -8.117 5.518 7.539 1.00 0.00 N ATOM 628 CA VAL A 43 -8.462 6.221 6.309 1.00 0.00 C ATOM 629 C VAL A 43 -9.102 5.278 5.298 1.00 0.00 C ATOM 630 O VAL A 43 -8.678 4.135 5.122 1.00 0.00 O ATOM 631 CB VAL A 43 -7.223 6.877 5.671 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.588 7.532 4.347 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.606 7.890 6.624 1.00 0.00 C ATOM 0 H VAL A 43 -7.528 4.696 7.404 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.177 6.998 6.579 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.483 6.101 5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.700 7.990 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.980 6.778 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.345 8.297 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.732 8.344 6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.337 8.665 6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.306 7.388 7.544 1.00 0.00 H new ATOM 643 N PRO A 44 -10.149 5.764 4.614 1.00 0.00 N ATOM 644 CA PRO A 44 -10.869 4.981 3.606 1.00 0.00 C ATOM 645 C PRO A 44 -10.036 4.742 2.352 1.00 0.00 C ATOM 646 O PRO A 44 -9.456 5.673 1.794 1.00 0.00 O ATOM 647 CB PRO A 44 -12.085 5.852 3.282 1.00 0.00 C ATOM 648 CG PRO A 44 -11.654 7.240 3.609 1.00 0.00 C ATOM 649 CD PRO A 44 -10.708 7.117 4.771 1.00 0.00 C ATOM 0 HA PRO A 44 -11.125 3.986 3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.368 5.762 2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.952 5.557 3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.164 7.708 2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.510 7.864 3.867 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.930 7.880 4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.225 7.230 5.724 1.00 0.00 H new ATOM 657 N VAL A 45 -9.981 3.488 1.913 1.00 0.00 N ATOM 658 CA VAL A 45 -9.219 3.128 0.723 1.00 0.00 C ATOM 659 C VAL A 45 -9.589 4.019 -0.457 1.00 0.00 C ATOM 660 O VAL A 45 -8.718 4.487 -1.191 1.00 0.00 O ATOM 661 CB VAL A 45 -9.451 1.656 0.333 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.604 1.283 -0.874 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.150 0.740 1.510 1.00 0.00 C ATOM 0 H VAL A 45 -10.455 2.705 2.363 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.166 3.271 0.966 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.500 1.531 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.781 0.240 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.873 1.919 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.550 1.423 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.319 -0.296 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.111 0.866 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.804 0.993 2.344 1.00 0.00 H new ATOM 673 N ARG A 46 -10.885 4.251 -0.633 1.00 0.00 N ATOM 674 CA ARG A 46 -11.371 5.086 -1.725 1.00 0.00 C ATOM 675 C ARG A 46 -10.567 6.380 -1.819 1.00 0.00 C ATOM 676 O ARG A 46 -10.442 6.967 -2.893 1.00 0.00 O ATOM 677 CB ARG A 46 -12.853 5.407 -1.530 1.00 0.00 C ATOM 678 CG ARG A 46 -13.770 4.215 -1.754 1.00 0.00 C ATOM 679 CD ARG A 46 -13.809 3.811 -3.220 1.00 0.00 C ATOM 680 NE ARG A 46 -14.752 2.723 -3.462 1.00 0.00 N ATOM 681 CZ ARG A 46 -16.069 2.888 -3.505 1.00 0.00 C ATOM 682 NH1 ARG A 46 -16.596 4.091 -3.322 1.00 0.00 N ATOM 683 NH2 ARG A 46 -16.863 1.848 -3.731 1.00 0.00 N ATOM 0 H ARG A 46 -11.618 3.872 -0.033 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.246 4.532 -2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.004 5.786 -0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.136 6.206 -2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.428 3.373 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.777 4.460 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.087 4.673 -3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.813 3.505 -3.538 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.379 1.785 -3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.989 4.892 -3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.608 4.215 -3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.462 0.921 -3.872 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.874 1.976 -3.764 1.00 0.00 H new ATOM 697 N GLN A 47 -10.025 6.817 -0.686 1.00 0.00 N ATOM 698 CA GLN A 47 -9.235 8.041 -0.641 1.00 0.00 C ATOM 699 C GLN A 47 -7.749 7.737 -0.802 1.00 0.00 C ATOM 700 O GLN A 47 -7.152 8.041 -1.834 1.00 0.00 O ATOM 701 CB GLN A 47 -9.476 8.781 0.676 1.00 0.00 C ATOM 702 CG GLN A 47 -10.650 9.745 0.625 1.00 0.00 C ATOM 703 CD GLN A 47 -10.710 10.656 1.836 1.00 0.00 C ATOM 704 OE1 GLN A 47 -10.765 10.190 2.975 1.00 0.00 O ATOM 705 NE2 GLN A 47 -10.700 11.962 1.596 1.00 0.00 N ATOM 0 H GLN A 47 -10.119 6.342 0.212 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.549 8.676 -1.469 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.650 8.051 1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.575 9.333 0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.578 10.351 -0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.578 9.178 0.555 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.654 12.304 0.636 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.739 12.623 2.372 1.00 0.00 H new ATOM 714 N GLN A 48 -7.159 7.135 0.226 1.00 0.00 N ATOM 715 CA GLN A 48 -5.742 6.790 0.199 1.00 0.00 C ATOM 716 C GLN A 48 -5.405 5.973 -1.044 1.00 0.00 C ATOM 717 O GLN A 48 -6.076 4.989 -1.353 1.00 0.00 O ATOM 718 CB GLN A 48 -5.361 6.008 1.457 1.00 0.00 C ATOM 719 CG GLN A 48 -6.102 4.688 1.600 1.00 0.00 C ATOM 720 CD GLN A 48 -5.751 3.959 2.882 1.00 0.00 C ATOM 721 OE1 GLN A 48 -5.445 4.580 3.900 1.00 0.00 O ATOM 722 NE2 GLN A 48 -5.795 2.632 2.839 1.00 0.00 N ATOM 0 H GLN A 48 -7.640 6.876 1.087 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.169 7.717 0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.289 5.814 1.443 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.562 6.625 2.333 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.176 4.874 1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.868 4.050 0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.054 2.158 1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.570 2.087 3.671 1.00 0.00 H new ATOM 731 N ARG A 49 -4.361 6.389 -1.754 1.00 0.00 N ATOM 732 CA ARG A 49 -3.936 5.696 -2.964 1.00 0.00 C ATOM 733 C ARG A 49 -2.474 5.270 -2.862 1.00 0.00 C ATOM 734 O ARG A 49 -1.628 6.026 -2.382 1.00 0.00 O ATOM 735 CB ARG A 49 -4.132 6.594 -4.187 1.00 0.00 C ATOM 736 CG ARG A 49 -3.673 5.958 -5.489 1.00 0.00 C ATOM 737 CD ARG A 49 -3.819 6.918 -6.660 1.00 0.00 C ATOM 738 NE ARG A 49 -2.961 8.091 -6.516 1.00 0.00 N ATOM 739 CZ ARG A 49 -2.592 8.860 -7.534 1.00 0.00 C ATOM 740 NH1 ARG A 49 -3.005 8.583 -8.763 1.00 0.00 N ATOM 741 NH2 ARG A 49 -1.809 9.911 -7.324 1.00 0.00 N ATOM 0 H ARG A 49 -3.794 7.202 -1.512 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.550 4.802 -3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.187 6.853 -4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.586 7.525 -4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.631 5.650 -5.397 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.256 5.057 -5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.572 6.400 -7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.858 7.237 -6.740 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.627 8.333 -5.583 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.608 7.777 -8.929 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.720 9.176 -9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.490 10.129 -6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.526 10.501 -8.107 1.00 0.00 H new ATOM 755 N LEU A 50 -2.183 4.056 -3.315 1.00 0.00 N ATOM 756 CA LEU A 50 -0.824 3.529 -3.275 1.00 0.00 C ATOM 757 C LEU A 50 -0.073 3.860 -4.561 1.00 0.00 C ATOM 758 O LEU A 50 -0.655 3.874 -5.646 1.00 0.00 O ATOM 759 CB LEU A 50 -0.849 2.015 -3.060 1.00 0.00 C ATOM 760 CG LEU A 50 -1.003 1.544 -1.614 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.310 0.055 -1.566 1.00 0.00 C ATOM 762 CD2 LEU A 50 0.254 1.857 -0.814 1.00 0.00 C ATOM 0 H LEU A 50 -2.871 3.418 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.303 3.999 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.669 1.599 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.074 1.596 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.839 2.081 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.416 -0.261 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.238 -0.143 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.496 -0.500 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.126 1.515 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.107 1.348 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.430 2.933 -0.819 1.00 0.00 H new ATOM 774 N LEU A 51 1.223 4.122 -4.432 1.00 0.00 N ATOM 775 CA LEU A 51 2.055 4.450 -5.584 1.00 0.00 C ATOM 776 C LEU A 51 3.452 3.856 -5.434 1.00 0.00 C ATOM 777 O LEU A 51 4.035 3.881 -4.351 1.00 0.00 O ATOM 778 CB LEU A 51 2.150 5.968 -5.754 1.00 0.00 C ATOM 779 CG LEU A 51 0.921 6.655 -6.350 1.00 0.00 C ATOM 780 CD1 LEU A 51 0.926 8.139 -6.020 1.00 0.00 C ATOM 781 CD2 LEU A 51 0.868 6.442 -7.856 1.00 0.00 C ATOM 0 H LEU A 51 1.720 4.114 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 51 1.590 4.019 -6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.352 6.411 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.008 6.189 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 51 0.030 6.209 -5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.044 8.611 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.915 8.271 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.823 8.600 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.013 6.938 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.764 6.861 -8.314 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.815 5.375 -8.071 1.00 0.00 H new ATOM 793 N PHE A 52 3.983 3.323 -6.530 1.00 0.00 N ATOM 794 CA PHE A 52 5.312 2.724 -6.521 1.00 0.00 C ATOM 795 C PHE A 52 6.191 3.331 -7.610 1.00 0.00 C ATOM 796 O PHE A 52 5.915 3.184 -8.801 1.00 0.00 O ATOM 797 CB PHE A 52 5.213 1.209 -6.716 1.00 0.00 C ATOM 798 CG PHE A 52 6.492 0.481 -6.416 1.00 0.00 C ATOM 799 CD1 PHE A 52 6.854 0.199 -5.109 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.332 0.078 -7.442 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.030 -0.471 -4.830 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.510 -0.592 -7.169 1.00 0.00 C ATOM 803 CZ PHE A 52 8.859 -0.868 -5.862 1.00 0.00 C ATOM 0 H PHE A 52 3.513 3.294 -7.435 1.00 0.00 H new ATOM 0 HA PHE A 52 5.769 2.931 -5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.423 0.819 -6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.919 1.002 -7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.210 0.506 -4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.063 0.290 -8.466 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.301 -0.684 -3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.157 -0.899 -7.977 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.778 -1.393 -5.647 1.00 0.00 H new ATOM 813 N LYS A 53 7.250 4.017 -7.194 1.00 0.00 N ATOM 814 CA LYS A 53 8.171 4.647 -8.132 1.00 0.00 C ATOM 815 C LYS A 53 7.411 5.425 -9.201 1.00 0.00 C ATOM 816 O LYS A 53 7.835 5.490 -10.354 1.00 0.00 O ATOM 817 CB LYS A 53 9.063 3.592 -8.790 1.00 0.00 C ATOM 818 CG LYS A 53 10.085 2.984 -7.846 1.00 0.00 C ATOM 819 CD LYS A 53 11.341 2.553 -8.585 1.00 0.00 C ATOM 820 CE LYS A 53 11.154 1.204 -9.262 1.00 0.00 C ATOM 821 NZ LYS A 53 10.615 1.346 -10.643 1.00 0.00 N ATOM 0 H LYS A 53 7.492 4.151 -6.212 1.00 0.00 H new ATOM 0 HA LYS A 53 8.796 5.345 -7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.435 2.797 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.584 4.044 -9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.346 3.709 -7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.647 2.124 -7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.600 3.303 -9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.175 2.498 -7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.109 0.680 -9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.476 0.591 -8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.787 0.727 -10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.334 2.334 -10.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.347 1.076 -11.331 1.00 0.00 H new ATOM 835 N GLY A 54 6.285 6.014 -8.810 1.00 0.00 N ATOM 836 CA GLY A 54 5.485 6.781 -9.747 1.00 0.00 C ATOM 837 C GLY A 54 4.568 5.905 -10.578 1.00 0.00 C ATOM 838 O GLY A 54 4.112 6.310 -11.648 1.00 0.00 O ATOM 0 H GLY A 54 5.913 5.974 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.888 7.510 -9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.145 7.342 -10.409 1.00 0.00 H new ATOM 842 N LYS A 55 4.299 4.700 -10.088 1.00 0.00 N ATOM 843 CA LYS A 55 3.432 3.764 -10.792 1.00 0.00 C ATOM 844 C LYS A 55 2.134 3.539 -10.023 1.00 0.00 C ATOM 845 O LYS A 55 2.152 3.285 -8.819 1.00 0.00 O ATOM 846 CB LYS A 55 4.151 2.429 -11.001 1.00 0.00 C ATOM 847 CG LYS A 55 3.686 1.674 -12.234 1.00 0.00 C ATOM 848 CD LYS A 55 4.360 2.194 -13.493 1.00 0.00 C ATOM 849 CE LYS A 55 3.619 1.750 -14.745 1.00 0.00 C ATOM 850 NZ LYS A 55 2.376 2.541 -14.964 1.00 0.00 N ATOM 0 H LYS A 55 4.670 4.349 -9.205 1.00 0.00 H new ATOM 0 HA LYS A 55 3.188 4.195 -11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.223 2.612 -11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.998 1.802 -10.122 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.904 0.613 -12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.605 1.768 -12.333 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.403 3.283 -13.461 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.389 1.835 -13.531 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.273 1.855 -15.611 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.367 0.693 -14.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.982 2.316 -15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.680 2.304 -14.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.598 3.556 -14.917 1.00 0.00 H new ATOM 864 N ALA A 56 1.010 3.635 -10.726 1.00 0.00 N ATOM 865 CA ALA A 56 -0.296 3.439 -10.109 1.00 0.00 C ATOM 866 C ALA A 56 -0.633 1.956 -9.997 1.00 0.00 C ATOM 867 O ALA A 56 -0.640 1.233 -10.994 1.00 0.00 O ATOM 868 CB ALA A 56 -1.369 4.168 -10.903 1.00 0.00 C ATOM 0 H ALA A 56 0.978 3.847 -11.723 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.261 3.854 -9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.339 4.013 -10.431 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.143 5.234 -10.927 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.395 3.780 -11.921 1.00 0.00 H new ATOM 874 N LEU A 57 -0.912 1.508 -8.778 1.00 0.00 N ATOM 875 CA LEU A 57 -1.250 0.109 -8.536 1.00 0.00 C ATOM 876 C LEU A 57 -2.738 -0.138 -8.762 1.00 0.00 C ATOM 877 O LEU A 57 -3.577 0.686 -8.400 1.00 0.00 O ATOM 878 CB LEU A 57 -0.867 -0.289 -7.109 1.00 0.00 C ATOM 879 CG LEU A 57 0.502 0.189 -6.624 1.00 0.00 C ATOM 880 CD1 LEU A 57 0.949 -0.614 -5.413 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.529 0.089 -7.742 1.00 0.00 C ATOM 0 H LEU A 57 -0.911 2.092 -7.942 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.687 -0.503 -9.241 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.626 0.097 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.897 -1.376 -7.036 1.00 0.00 H new ATOM 0 HG LEU A 57 0.417 1.235 -6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.925 -0.260 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.226 -0.490 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.017 -1.668 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.497 0.433 -7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.612 -0.948 -8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.215 0.710 -8.581 1.00 0.00 H new ATOM 893 N ALA A 58 -3.058 -1.280 -9.362 1.00 0.00 N ATOM 894 CA ALA A 58 -4.445 -1.639 -9.633 1.00 0.00 C ATOM 895 C ALA A 58 -5.014 -2.512 -8.520 1.00 0.00 C ATOM 896 O ALA A 58 -4.476 -3.577 -8.217 1.00 0.00 O ATOM 897 CB ALA A 58 -4.554 -2.351 -10.973 1.00 0.00 C ATOM 0 H ALA A 58 -2.375 -1.973 -9.670 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.031 -0.721 -9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.595 -2.613 -11.162 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.196 -1.693 -11.765 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.949 -3.258 -10.953 1.00 0.00 H new ATOM 903 N ASP A 59 -6.104 -2.054 -7.914 1.00 0.00 N ATOM 904 CA ASP A 59 -6.746 -2.794 -6.834 1.00 0.00 C ATOM 905 C ASP A 59 -6.916 -4.263 -7.208 1.00 0.00 C ATOM 906 O ASP A 59 -7.076 -5.120 -6.340 1.00 0.00 O ATOM 907 CB ASP A 59 -8.107 -2.178 -6.504 1.00 0.00 C ATOM 908 CG ASP A 59 -8.801 -1.618 -7.730 1.00 0.00 C ATOM 909 OD1 ASP A 59 -8.922 -2.354 -8.731 1.00 0.00 O ATOM 910 OD2 ASP A 59 -9.223 -0.443 -7.688 1.00 0.00 O ATOM 0 H ASP A 59 -6.561 -1.174 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.105 -2.734 -5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.743 -2.934 -6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.975 -1.383 -5.770 1.00 0.00 H new ATOM 915 N GLY A 60 -6.880 -4.546 -8.506 1.00 0.00 N ATOM 916 CA GLY A 60 -7.032 -5.912 -8.972 1.00 0.00 C ATOM 917 C GLY A 60 -5.702 -6.616 -9.149 1.00 0.00 C ATOM 918 O GLY A 60 -5.602 -7.829 -8.958 1.00 0.00 O ATOM 0 H GLY A 60 -6.748 -3.854 -9.244 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.643 -6.469 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.568 -5.911 -9.921 1.00 0.00 H new ATOM 922 N LYS A 61 -4.676 -5.856 -9.516 1.00 0.00 N ATOM 923 CA LYS A 61 -3.344 -6.413 -9.720 1.00 0.00 C ATOM 924 C LYS A 61 -2.681 -6.740 -8.386 1.00 0.00 C ATOM 925 O LYS A 61 -3.218 -6.429 -7.323 1.00 0.00 O ATOM 926 CB LYS A 61 -2.473 -5.432 -10.508 1.00 0.00 C ATOM 927 CG LYS A 61 -2.789 -5.395 -11.993 1.00 0.00 C ATOM 928 CD LYS A 61 -1.680 -4.721 -12.783 1.00 0.00 C ATOM 929 CE LYS A 61 -1.980 -4.717 -14.274 1.00 0.00 C ATOM 930 NZ LYS A 61 -1.526 -5.972 -14.935 1.00 0.00 N ATOM 0 H LYS A 61 -4.742 -4.851 -9.678 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.447 -7.336 -10.290 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.600 -4.432 -10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.425 -5.701 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.933 -6.411 -12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.726 -4.862 -12.153 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.554 -3.696 -12.434 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.737 -5.238 -12.602 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.052 -4.593 -14.428 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.489 -3.863 -14.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.749 -5.930 -15.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.499 -6.078 -14.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.013 -6.785 -14.507 1.00 0.00 H new ATOM 944 N ARG A 62 -1.511 -7.366 -8.449 1.00 0.00 N ATOM 945 CA ARG A 62 -0.775 -7.734 -7.246 1.00 0.00 C ATOM 946 C ARG A 62 0.636 -7.152 -7.272 1.00 0.00 C ATOM 947 O ARG A 62 1.196 -6.902 -8.340 1.00 0.00 O ATOM 948 CB ARG A 62 -0.708 -9.256 -7.108 1.00 0.00 C ATOM 949 CG ARG A 62 -2.061 -9.938 -7.226 1.00 0.00 C ATOM 950 CD ARG A 62 -1.917 -11.389 -7.659 1.00 0.00 C ATOM 951 NE ARG A 62 -3.168 -11.930 -8.185 1.00 0.00 N ATOM 952 CZ ARG A 62 -3.637 -11.651 -9.396 1.00 0.00 C ATOM 953 NH1 ARG A 62 -2.963 -10.842 -10.202 1.00 0.00 N ATOM 954 NH2 ARG A 62 -4.782 -12.182 -9.804 1.00 0.00 N ATOM 0 H ARG A 62 -1.052 -7.629 -9.321 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.304 -7.321 -6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.042 -9.653 -7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.268 -9.506 -6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.577 -9.893 -6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.679 -9.402 -7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.141 -11.465 -8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.591 -11.990 -6.810 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.711 -12.556 -7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.082 -10.432 -9.893 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.326 -10.630 -11.131 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.303 -12.805 -9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.141 -11.967 -10.734 1.00 0.00 H new ATOM 968 N LEU A 63 1.204 -6.939 -6.091 1.00 0.00 N ATOM 969 CA LEU A 63 2.550 -6.386 -5.977 1.00 0.00 C ATOM 970 C LEU A 63 3.564 -7.270 -6.696 1.00 0.00 C ATOM 971 O LEU A 63 4.513 -6.775 -7.305 1.00 0.00 O ATOM 972 CB LEU A 63 2.939 -6.237 -4.506 1.00 0.00 C ATOM 973 CG LEU A 63 2.149 -5.202 -3.704 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.424 -5.356 -2.216 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.492 -3.794 -4.169 1.00 0.00 C ATOM 0 H LEU A 63 0.754 -7.141 -5.198 1.00 0.00 H new ATOM 0 HA LEU A 63 2.553 -5.403 -6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.826 -7.207 -4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.996 -5.977 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 63 1.086 -5.371 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.853 -4.611 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.128 -6.354 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.488 -5.213 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.921 -3.070 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.558 -3.614 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.243 -3.689 -5.225 1.00 0.00 H new ATOM 987 N SER A 64 3.355 -8.581 -6.624 1.00 0.00 N ATOM 988 CA SER A 64 4.252 -9.534 -7.267 1.00 0.00 C ATOM 989 C SER A 64 4.378 -9.241 -8.758 1.00 0.00 C ATOM 990 O SER A 64 5.353 -9.635 -9.400 1.00 0.00 O ATOM 991 CB SER A 64 3.747 -10.963 -7.057 1.00 0.00 C ATOM 992 OG SER A 64 4.587 -11.901 -7.707 1.00 0.00 O ATOM 0 H SER A 64 2.573 -9.007 -6.127 1.00 0.00 H new ATOM 0 HA SER A 64 5.237 -9.433 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.706 -11.185 -5.991 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.731 -11.053 -7.441 1.00 0.00 H new ATOM 0 HG SER A 64 4.297 -12.810 -7.483 1.00 0.00 H new ATOM 998 N ASP A 65 3.386 -8.546 -9.304 1.00 0.00 N ATOM 999 CA ASP A 65 3.385 -8.198 -10.720 1.00 0.00 C ATOM 1000 C ASP A 65 4.229 -6.952 -10.974 1.00 0.00 C ATOM 1001 O ASP A 65 4.820 -6.798 -12.043 1.00 0.00 O ATOM 1002 CB ASP A 65 1.955 -7.968 -11.210 1.00 0.00 C ATOM 1003 CG ASP A 65 1.906 -7.449 -12.633 1.00 0.00 C ATOM 1004 OD1 ASP A 65 1.988 -6.217 -12.818 1.00 0.00 O ATOM 1005 OD2 ASP A 65 1.786 -8.275 -13.563 1.00 0.00 O ATOM 0 H ASP A 65 2.572 -8.213 -8.787 1.00 0.00 H new ATOM 0 HA ASP A 65 3.821 -9.030 -11.273 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.398 -8.903 -11.148 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.458 -7.257 -10.550 1.00 0.00 H new ATOM 1010 N TYR A 66 4.279 -6.067 -9.986 1.00 0.00 N ATOM 1011 CA TYR A 66 5.047 -4.833 -10.103 1.00 0.00 C ATOM 1012 C TYR A 66 6.500 -5.055 -9.693 1.00 0.00 C ATOM 1013 O TYR A 66 7.237 -4.102 -9.439 1.00 0.00 O ATOM 1014 CB TYR A 66 4.424 -3.735 -9.240 1.00 0.00 C ATOM 1015 CG TYR A 66 3.167 -3.140 -9.832 1.00 0.00 C ATOM 1016 CD1 TYR A 66 1.923 -3.711 -9.590 1.00 0.00 C ATOM 1017 CD2 TYR A 66 3.222 -2.007 -10.634 1.00 0.00 C ATOM 1018 CE1 TYR A 66 0.772 -3.171 -10.129 1.00 0.00 C ATOM 1019 CE2 TYR A 66 2.075 -1.459 -11.177 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.853 -2.045 -10.921 1.00 0.00 C ATOM 1021 OH TYR A 66 -0.291 -1.503 -11.461 1.00 0.00 O ATOM 0 H TYR A 66 3.797 -6.181 -9.094 1.00 0.00 H new ATOM 0 HA TYR A 66 5.026 -4.520 -11.147 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.194 -4.144 -8.256 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.157 -2.942 -9.092 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.855 -4.592 -8.970 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.178 -1.546 -10.837 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.186 -3.628 -9.931 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.135 -0.577 -11.798 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.278 -0.530 -11.346 1.00 0.00 H new ATOM 1031 N SER A 67 6.904 -6.319 -9.632 1.00 0.00 N ATOM 1032 CA SER A 67 8.268 -6.668 -9.250 1.00 0.00 C ATOM 1033 C SER A 67 8.676 -5.944 -7.970 1.00 0.00 C ATOM 1034 O SER A 67 9.736 -5.322 -7.908 1.00 0.00 O ATOM 1035 CB SER A 67 9.241 -6.322 -10.378 1.00 0.00 C ATOM 1036 OG SER A 67 9.252 -7.333 -11.371 1.00 0.00 O ATOM 0 H SER A 67 6.307 -7.119 -9.842 1.00 0.00 H new ATOM 0 HA SER A 67 8.304 -7.742 -9.066 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.958 -5.370 -10.827 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.244 -6.197 -9.971 1.00 0.00 H new ATOM 0 HG SER A 67 9.881 -7.087 -12.081 1.00 0.00 H new ATOM 1042 N ILE A 68 7.826 -6.030 -6.953 1.00 0.00 N ATOM 1043 CA ILE A 68 8.097 -5.384 -5.675 1.00 0.00 C ATOM 1044 C ILE A 68 8.333 -6.416 -4.577 1.00 0.00 C ATOM 1045 O ILE A 68 7.390 -7.016 -4.061 1.00 0.00 O ATOM 1046 CB ILE A 68 6.941 -4.459 -5.254 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.686 -3.403 -6.332 1.00 0.00 C ATOM 1048 CG2 ILE A 68 7.250 -3.797 -3.920 1.00 0.00 C ATOM 1049 CD1 ILE A 68 5.492 -2.520 -6.043 1.00 0.00 C ATOM 0 H ILE A 68 6.944 -6.541 -6.989 1.00 0.00 H new ATOM 0 HA ILE A 68 8.998 -4.786 -5.809 1.00 0.00 H new ATOM 0 HB ILE A 68 6.039 -5.060 -5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.573 -2.778 -6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.535 -3.902 -7.289 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.423 -3.146 -3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.387 -4.563 -3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.162 -3.207 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.372 -1.796 -6.849 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.594 -3.134 -5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.648 -1.993 -5.102 1.00 0.00 H new ATOM 1061 N GLY A 69 9.599 -6.617 -4.222 1.00 0.00 N ATOM 1062 CA GLY A 69 9.936 -7.575 -3.186 1.00 0.00 C ATOM 1063 C GLY A 69 9.754 -7.009 -1.791 1.00 0.00 C ATOM 1064 O GLY A 69 9.020 -6.043 -1.581 1.00 0.00 O ATOM 0 H GLY A 69 10.397 -6.133 -4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.313 -8.462 -3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.970 -7.894 -3.313 1.00 0.00 H new ATOM 1068 N PRO A 70 10.432 -7.619 -0.808 1.00 0.00 N ATOM 1069 CA PRO A 70 10.357 -7.188 0.591 1.00 0.00 C ATOM 1070 C PRO A 70 11.040 -5.844 0.820 1.00 0.00 C ATOM 1071 O PRO A 70 11.588 -5.249 -0.107 1.00 0.00 O ATOM 1072 CB PRO A 70 11.095 -8.297 1.344 1.00 0.00 C ATOM 1073 CG PRO A 70 12.026 -8.883 0.340 1.00 0.00 C ATOM 1074 CD PRO A 70 11.325 -8.776 -0.986 1.00 0.00 C ATOM 0 HA PRO A 70 9.327 -7.044 0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.637 -7.900 2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.401 -9.046 1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.973 -8.344 0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.254 -9.922 0.578 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.030 -8.617 -1.802 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.766 -9.682 -1.219 1.00 0.00 H new ATOM 1082 N ASN A 71 11.002 -5.370 2.062 1.00 0.00 N ATOM 1083 CA ASN A 71 11.618 -4.096 2.413 1.00 0.00 C ATOM 1084 C ASN A 71 11.363 -3.052 1.330 1.00 0.00 C ATOM 1085 O ASN A 71 12.282 -2.364 0.887 1.00 0.00 O ATOM 1086 CB ASN A 71 13.123 -4.272 2.622 1.00 0.00 C ATOM 1087 CG ASN A 71 13.460 -5.573 3.324 1.00 0.00 C ATOM 1088 OD1 ASN A 71 14.028 -6.487 2.725 1.00 0.00 O ATOM 1089 ND2 ASN A 71 13.111 -5.663 4.602 1.00 0.00 N ATOM 0 H ASN A 71 10.551 -5.849 2.841 1.00 0.00 H new ATOM 0 HA ASN A 71 11.168 -3.748 3.343 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.627 -4.242 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.506 -3.436 3.208 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.312 -6.514 5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.642 -4.881 5.059 1.00 0.00 H new ATOM 1096 N SER A 72 10.107 -2.940 0.907 1.00 0.00 N ATOM 1097 CA SER A 72 9.731 -1.983 -0.127 1.00 0.00 C ATOM 1098 C SER A 72 8.889 -0.854 0.459 1.00 0.00 C ATOM 1099 O SER A 72 7.894 -1.096 1.143 1.00 0.00 O ATOM 1100 CB SER A 72 8.957 -2.685 -1.244 1.00 0.00 C ATOM 1101 OG SER A 72 9.839 -3.291 -2.173 1.00 0.00 O ATOM 0 H SER A 72 9.333 -3.500 1.265 1.00 0.00 H new ATOM 0 HA SER A 72 10.644 -1.555 -0.541 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.300 -3.441 -0.815 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.321 -1.965 -1.758 1.00 0.00 H new ATOM 0 HG SER A 72 9.741 -4.265 -2.130 1.00 0.00 H new ATOM 1107 N LYS A 73 9.295 0.381 0.186 1.00 0.00 N ATOM 1108 CA LYS A 73 8.579 1.550 0.683 1.00 0.00 C ATOM 1109 C LYS A 73 7.560 2.041 -0.341 1.00 0.00 C ATOM 1110 O LYS A 73 7.921 2.439 -1.449 1.00 0.00 O ATOM 1111 CB LYS A 73 9.564 2.673 1.017 1.00 0.00 C ATOM 1112 CG LYS A 73 9.093 3.580 2.141 1.00 0.00 C ATOM 1113 CD LYS A 73 10.166 4.582 2.535 1.00 0.00 C ATOM 1114 CE LYS A 73 11.182 3.966 3.484 1.00 0.00 C ATOM 1115 NZ LYS A 73 12.445 4.754 3.531 1.00 0.00 N ATOM 0 H LYS A 73 10.117 0.599 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 73 8.046 1.260 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.523 2.234 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.734 3.274 0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.194 4.112 1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.821 2.977 3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.674 4.943 1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.701 5.447 3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.754 3.905 4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.402 2.946 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.112 4.302 4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.867 4.791 2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.239 5.720 3.856 1.00 0.00 H new ATOM 1129 N LEU A 74 6.287 2.011 0.037 1.00 0.00 N ATOM 1130 CA LEU A 74 5.216 2.455 -0.848 1.00 0.00 C ATOM 1131 C LEU A 74 4.793 3.883 -0.518 1.00 0.00 C ATOM 1132 O LEU A 74 4.911 4.328 0.623 1.00 0.00 O ATOM 1133 CB LEU A 74 4.013 1.516 -0.736 1.00 0.00 C ATOM 1134 CG LEU A 74 4.012 0.312 -1.677 1.00 0.00 C ATOM 1135 CD1 LEU A 74 3.201 -0.829 -1.083 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.465 0.703 -3.043 1.00 0.00 C ATOM 0 H LEU A 74 5.971 1.684 0.950 1.00 0.00 H new ATOM 0 HA LEU A 74 5.592 2.434 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.957 1.150 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.107 2.095 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 74 5.040 -0.027 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.212 -1.678 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.636 -1.127 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.173 -0.502 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.472 -0.167 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.444 1.068 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.087 1.488 -3.473 1.00 0.00 H new ATOM 1148 N ASN A 75 4.299 4.596 -1.525 1.00 0.00 N ATOM 1149 CA ASN A 75 3.857 5.973 -1.342 1.00 0.00 C ATOM 1150 C ASN A 75 2.340 6.043 -1.191 1.00 0.00 C ATOM 1151 O ASN A 75 1.606 5.299 -1.843 1.00 0.00 O ATOM 1152 CB ASN A 75 4.303 6.836 -2.524 1.00 0.00 C ATOM 1153 CG ASN A 75 5.714 7.365 -2.354 1.00 0.00 C ATOM 1154 OD1 ASN A 75 6.570 6.703 -1.767 1.00 0.00 O ATOM 1155 ND2 ASN A 75 5.962 8.564 -2.868 1.00 0.00 N ATOM 0 H ASN A 75 4.195 4.243 -2.476 1.00 0.00 H new ATOM 0 HA ASN A 75 4.313 6.355 -0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.246 6.249 -3.441 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.615 7.674 -2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.893 8.972 -2.784 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.221 9.077 -3.346 1.00 0.00 H new ATOM 1162 N LEU A 76 1.877 6.940 -0.328 1.00 0.00 N ATOM 1163 CA LEU A 76 0.447 7.107 -0.091 1.00 0.00 C ATOM 1164 C LEU A 76 -0.004 8.518 -0.458 1.00 0.00 C ATOM 1165 O LEU A 76 0.636 9.502 -0.087 1.00 0.00 O ATOM 1166 CB LEU A 76 0.116 6.819 1.374 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.341 6.463 1.675 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.725 5.161 0.990 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.566 6.365 3.177 1.00 0.00 C ATOM 0 H LEU A 76 2.471 7.563 0.219 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.087 6.398 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.747 5.998 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.385 7.694 1.965 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.978 7.256 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.765 4.924 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.603 5.267 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.083 4.357 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.608 6.111 3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.920 5.592 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.332 7.322 3.643 1.00 0.00 H new ATOM 1181 N VAL A 77 -1.111 8.608 -1.188 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.650 9.898 -1.602 1.00 0.00 C ATOM 1183 C VAL A 77 -3.067 10.096 -1.076 1.00 0.00 C ATOM 1184 O VAL A 77 -3.929 9.232 -1.242 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.660 10.035 -3.137 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.665 11.501 -3.542 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.468 9.310 -3.744 1.00 0.00 C ATOM 0 H VAL A 77 -1.652 7.803 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.999 10.664 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.570 9.574 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.672 11.578 -4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.553 11.987 -3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.773 11.990 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.491 9.417 -4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.455 9.740 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.514 8.253 -3.483 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.303 11.240 -0.442 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.616 11.553 0.107 1.00 0.00 C ATOM 1199 C VAL A 78 -5.437 12.386 -0.871 1.00 0.00 C ATOM 1200 O VAL A 78 -5.080 13.521 -1.189 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.500 12.314 1.441 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -3.959 13.717 1.211 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -5.847 12.362 2.146 1.00 0.00 C ATOM 0 H VAL A 78 -2.601 11.966 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.120 10.603 0.282 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.799 11.781 2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.884 14.239 2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.972 13.656 0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.633 14.263 0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.746 12.903 3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.572 12.870 1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.189 11.347 2.347 1.00 0.00 H new