USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 ASN : amide:sc= -2.52! C(o=-1.7!,f=-1.7!) USER MOD Set 1.2: A 20 SER OG : rot -16:sc= 0.801 USER MOD Single : A 1 CYS N :NH3+ 151:sc= 0.855 (180deg=0.0517) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.278 USER MOD Single : A 2 SER OG : rot 65:sc= 0.668 USER MOD Single : A 3 LYS NZ :NH3+ 149:sc= -0.204 (180deg=-0.987) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -3.85! C(o=-3.9!,f=-9.7!) USER MOD Single : A 26 ASN : amide:sc= -0.847 K(o=-0.85,f=-0.34) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.46) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -5.2! C(o=-5.2!,f=-3.5!) USER MOD Single : A 54 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 43.850 -13.755 -3.789 1.00 1.00 N ATOM 2 CA CYS A 1 45.160 -13.977 -3.114 1.00 1.00 C ATOM 3 C CYS A 1 44.919 -14.549 -1.720 1.00 1.00 C ATOM 4 O CYS A 1 45.664 -14.263 -0.784 1.00 1.00 O ATOM 5 CB CYS A 1 45.908 -12.646 -3.010 1.00 1.00 C ATOM 6 SG CYS A 1 45.840 -11.791 -4.604 1.00 1.00 S ATOM 0 H1 CYS A 1 43.936 -12.967 -4.462 1.00 1.00 H new ATOM 0 H2 CYS A 1 43.572 -14.618 -4.299 1.00 1.00 H new ATOM 0 H3 CYS A 1 43.127 -13.525 -3.077 1.00 1.00 H new ATOM 0 HA CYS A 1 45.759 -14.681 -3.692 1.00 1.00 H new ATOM 0 HB2 CYS A 1 45.462 -12.025 -2.233 1.00 1.00 H new ATOM 0 HB3 CYS A 1 46.945 -12.821 -2.723 1.00 1.00 H new ATOM 0 HG CYS A 1 46.473 -10.659 -4.517 1.00 1.00 H new ATOM 14 N SER A 2 43.871 -15.358 -1.593 1.00 1.00 N ATOM 15 CA SER A 2 43.536 -15.967 -0.310 1.00 1.00 C ATOM 16 C SER A 2 42.648 -17.192 -0.515 1.00 1.00 C ATOM 17 O SER A 2 42.099 -17.397 -1.597 1.00 1.00 O ATOM 18 CB SER A 2 42.817 -14.946 0.572 1.00 1.00 C ATOM 19 OG SER A 2 42.215 -15.616 1.671 1.00 1.00 O ATOM 0 H SER A 2 43.243 -15.606 -2.358 1.00 1.00 H new ATOM 0 HA SER A 2 44.457 -16.284 0.179 1.00 1.00 H new ATOM 0 HB2 SER A 2 43.523 -14.197 0.930 1.00 1.00 H new ATOM 0 HB3 SER A 2 42.059 -14.418 -0.007 1.00 1.00 H new ATOM 0 HG SER A 2 42.913 -16.002 2.241 1.00 1.00 H new ATOM 25 N LYS A 3 42.510 -18.007 0.533 1.00 1.00 N ATOM 26 CA LYS A 3 41.683 -19.213 0.459 1.00 1.00 C ATOM 27 C LYS A 3 40.263 -18.927 0.922 1.00 1.00 C ATOM 28 O LYS A 3 39.515 -19.840 1.268 1.00 1.00 O ATOM 29 CB LYS A 3 42.290 -20.321 1.320 1.00 1.00 C ATOM 30 CG LYS A 3 42.553 -19.783 2.732 1.00 1.00 C ATOM 31 CD LYS A 3 43.024 -20.920 3.657 1.00 1.00 C ATOM 32 CE LYS A 3 44.534 -21.138 3.503 1.00 1.00 C ATOM 33 NZ LYS A 3 45.263 -19.919 3.956 1.00 1.00 N ATOM 0 H LYS A 3 42.957 -17.855 1.437 1.00 1.00 H new ATOM 0 HA LYS A 3 41.651 -19.538 -0.581 1.00 1.00 H new ATOM 0 HB2 LYS A 3 41.613 -21.174 1.364 1.00 1.00 H new ATOM 0 HB3 LYS A 3 43.220 -20.675 0.875 1.00 1.00 H new ATOM 0 HG2 LYS A 3 43.309 -18.998 2.695 1.00 1.00 H new ATOM 0 HG3 LYS A 3 41.645 -19.332 3.132 1.00 1.00 H new ATOM 0 HD2 LYS A 3 42.788 -20.677 4.693 1.00 1.00 H new ATOM 0 HD3 LYS A 3 42.490 -21.839 3.416 1.00 1.00 H new ATOM 0 HE2 LYS A 3 44.849 -22.001 4.089 1.00 1.00 H new ATOM 0 HE3 LYS A 3 44.776 -21.354 2.462 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 46.186 -20.193 4.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 45.407 -19.280 3.148 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 44.705 -19.432 4.687 1.00 1.00 H new ATOM 47 N ASN A 4 39.908 -17.653 0.918 1.00 1.00 N ATOM 48 CA ASN A 4 38.565 -17.222 1.330 1.00 1.00 C ATOM 49 C ASN A 4 38.386 -17.366 2.839 1.00 1.00 C ATOM 50 O ASN A 4 37.864 -16.470 3.503 1.00 1.00 O ATOM 51 CB ASN A 4 37.502 -18.064 0.608 1.00 1.00 C ATOM 52 CG ASN A 4 37.945 -18.338 -0.824 1.00 1.00 C ATOM 53 OD1 ASN A 4 38.578 -19.360 -1.094 1.00 1.00 O ATOM 54 ND2 ASN A 4 37.646 -17.485 -1.764 1.00 1.00 N ATOM 0 H ASN A 4 40.525 -16.892 0.635 1.00 1.00 H new ATOM 0 HA ASN A 4 38.447 -16.172 1.063 1.00 1.00 H new ATOM 0 HB2 ASN A 4 37.349 -19.005 1.137 1.00 1.00 H new ATOM 0 HB3 ASN A 4 36.547 -17.539 0.609 1.00 1.00 H new ATOM 0 HD21 ASN A 4 37.936 -17.663 -2.725 1.00 1.00 H new ATOM 0 HD22 ASN A 4 37.122 -16.640 -1.538 1.00 1.00 H new ATOM 61 N ARG A 5 38.810 -18.504 3.369 1.00 1.00 N ATOM 62 CA ARG A 5 38.685 -18.771 4.797 1.00 1.00 C ATOM 63 C ARG A 5 39.552 -17.817 5.613 1.00 1.00 C ATOM 64 O ARG A 5 39.127 -17.321 6.658 1.00 1.00 O ATOM 65 CB ARG A 5 39.101 -20.218 5.091 1.00 1.00 C ATOM 66 CG ARG A 5 38.040 -21.200 4.549 1.00 1.00 C ATOM 67 CD ARG A 5 36.937 -21.417 5.593 1.00 1.00 C ATOM 68 NE ARG A 5 37.492 -22.052 6.780 1.00 1.00 N ATOM 69 CZ ARG A 5 36.787 -22.154 7.902 1.00 1.00 C ATOM 70 NH1 ARG A 5 35.575 -21.675 7.958 1.00 1.00 N ATOM 71 NH2 ARG A 5 37.309 -22.734 8.947 1.00 1.00 N ATOM 0 H ARG A 5 39.243 -19.257 2.834 1.00 1.00 H new ATOM 0 HA ARG A 5 37.644 -18.619 5.082 1.00 1.00 H new ATOM 0 HB2 ARG A 5 40.068 -20.426 4.632 1.00 1.00 H new ATOM 0 HB3 ARG A 5 39.221 -20.358 6.165 1.00 1.00 H new ATOM 0 HG2 ARG A 5 37.608 -20.808 3.628 1.00 1.00 H new ATOM 0 HG3 ARG A 5 38.508 -22.152 4.301 1.00 1.00 H new ATOM 0 HD2 ARG A 5 36.484 -20.462 5.860 1.00 1.00 H new ATOM 0 HD3 ARG A 5 36.146 -22.039 5.174 1.00 1.00 H new ATOM 0 HE ARG A 5 38.441 -22.426 6.750 1.00 1.00 H new ATOM 0 HH11 ARG A 5 35.167 -21.222 7.140 1.00 1.00 H new ATOM 0 HH12 ARG A 5 35.035 -21.754 8.820 1.00 1.00 H new ATOM 0 HH21 ARG A 5 38.257 -23.108 8.902 1.00 1.00 H new ATOM 0 HH22 ARG A 5 36.769 -22.813 9.809 1.00 1.00 H new ATOM 85 N LYS A 6 40.770 -17.568 5.135 1.00 1.00 N ATOM 86 CA LYS A 6 41.695 -16.678 5.830 1.00 1.00 C ATOM 87 C LYS A 6 42.501 -15.879 4.813 1.00 1.00 C ATOM 88 O LYS A 6 43.080 -16.449 3.887 1.00 1.00 O ATOM 89 CB LYS A 6 42.654 -17.500 6.696 1.00 1.00 C ATOM 90 CG LYS A 6 41.855 -18.470 7.568 1.00 1.00 C ATOM 91 CD LYS A 6 42.803 -19.254 8.476 1.00 1.00 C ATOM 92 CE LYS A 6 41.993 -20.238 9.322 1.00 1.00 C ATOM 93 NZ LYS A 6 42.913 -21.011 10.203 1.00 1.00 N ATOM 0 H LYS A 6 41.137 -17.969 4.272 1.00 1.00 H new ATOM 0 HA LYS A 6 41.125 -15.997 6.462 1.00 1.00 H new ATOM 0 HB2 LYS A 6 43.349 -18.052 6.063 1.00 1.00 H new ATOM 0 HB3 LYS A 6 43.251 -16.838 7.324 1.00 1.00 H new ATOM 0 HG2 LYS A 6 41.132 -17.920 8.170 1.00 1.00 H new ATOM 0 HG3 LYS A 6 41.289 -19.157 6.939 1.00 1.00 H new ATOM 0 HD2 LYS A 6 43.538 -19.791 7.877 1.00 1.00 H new ATOM 0 HD3 LYS A 6 43.355 -18.571 9.121 1.00 1.00 H new ATOM 0 HE2 LYS A 6 41.262 -19.699 9.925 1.00 1.00 H new ATOM 0 HE3 LYS A 6 41.436 -20.916 8.676 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 42.362 -21.680 10.778 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 43.594 -21.536 9.618 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 43.426 -20.357 10.828 1.00 1.00 H new ATOM 107 N ALA A 7 42.548 -14.563 4.997 1.00 1.00 N ATOM 108 CA ALA A 7 43.306 -13.687 4.091 1.00 1.00 C ATOM 109 C ALA A 7 44.455 -13.038 4.848 1.00 1.00 C ATOM 110 O ALA A 7 44.443 -11.835 5.101 1.00 1.00 O ATOM 111 CB ALA A 7 42.399 -12.599 3.501 1.00 1.00 C ATOM 0 H ALA A 7 42.075 -14.076 5.759 1.00 1.00 H new ATOM 0 HA ALA A 7 43.700 -14.292 3.274 1.00 1.00 H new ATOM 0 HB1 ALA A 7 42.981 -11.963 2.834 1.00 1.00 H new ATOM 0 HB2 ALA A 7 41.588 -13.065 2.942 1.00 1.00 H new ATOM 0 HB3 ALA A 7 41.983 -11.995 4.308 1.00 1.00 H new ATOM 117 N LYS A 8 45.453 -13.847 5.209 1.00 1.00 N ATOM 118 CA LYS A 8 46.616 -13.336 5.944 1.00 1.00 C ATOM 119 C LYS A 8 47.874 -14.108 5.551 1.00 1.00 C ATOM 120 O LYS A 8 48.776 -14.305 6.366 1.00 1.00 O ATOM 121 CB LYS A 8 46.370 -13.447 7.472 1.00 1.00 C ATOM 122 CG LYS A 8 46.836 -12.172 8.193 1.00 1.00 C ATOM 123 CD LYS A 8 48.354 -12.019 8.053 1.00 1.00 C ATOM 124 CE LYS A 8 48.801 -10.731 8.746 1.00 1.00 C ATOM 125 NZ LYS A 8 50.280 -10.593 8.624 1.00 1.00 N ATOM 0 H LYS A 8 45.482 -14.847 5.008 1.00 1.00 H new ATOM 0 HA LYS A 8 46.760 -12.287 5.687 1.00 1.00 H new ATOM 0 HB2 LYS A 8 45.310 -13.612 7.663 1.00 1.00 H new ATOM 0 HB3 LYS A 8 46.903 -14.311 7.869 1.00 1.00 H new ATOM 0 HG2 LYS A 8 46.334 -11.301 7.772 1.00 1.00 H new ATOM 0 HG3 LYS A 8 46.562 -12.219 9.247 1.00 1.00 H new ATOM 0 HD2 LYS A 8 48.859 -12.877 8.496 1.00 1.00 H new ATOM 0 HD3 LYS A 8 48.632 -11.994 6.999 1.00 1.00 H new ATOM 0 HE2 LYS A 8 48.306 -9.871 8.295 1.00 1.00 H new ATOM 0 HE3 LYS A 8 48.512 -10.751 9.797 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 50.587 -9.718 9.094 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 50.743 -11.409 9.074 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 50.543 -10.556 7.619 1.00 1.00 H new ATOM 139 N ALA A 9 47.924 -14.530 4.294 1.00 1.00 N ATOM 140 CA ALA A 9 49.084 -15.283 3.774 1.00 1.00 C ATOM 141 C ALA A 9 49.704 -14.545 2.592 1.00 1.00 C ATOM 142 O ALA A 9 49.008 -13.857 1.845 1.00 1.00 O ATOM 143 CB ALA A 9 48.673 -16.707 3.337 1.00 1.00 C ATOM 0 H ALA A 9 47.184 -14.370 3.610 1.00 1.00 H new ATOM 0 HA ALA A 9 49.817 -15.365 4.577 1.00 1.00 H new ATOM 0 HB1 ALA A 9 49.547 -17.238 2.959 1.00 1.00 H new ATOM 0 HB2 ALA A 9 48.263 -17.246 4.191 1.00 1.00 H new ATOM 0 HB3 ALA A 9 47.919 -16.643 2.552 1.00 1.00 H new ATOM 149 N LYS A 10 51.016 -14.691 2.431 1.00 1.00 N ATOM 150 CA LYS A 10 51.719 -14.033 1.336 1.00 1.00 C ATOM 151 C LYS A 10 53.073 -14.701 1.090 1.00 1.00 C ATOM 152 O LYS A 10 54.091 -14.026 0.943 1.00 1.00 O ATOM 153 CB LYS A 10 51.919 -12.548 1.668 1.00 1.00 C ATOM 154 CG LYS A 10 52.179 -11.760 0.380 1.00 1.00 C ATOM 155 CD LYS A 10 52.308 -10.266 0.702 1.00 1.00 C ATOM 156 CE LYS A 10 53.510 -10.024 1.626 1.00 1.00 C ATOM 157 NZ LYS A 10 53.998 -8.630 1.438 1.00 1.00 N ATOM 0 H LYS A 10 51.609 -15.255 3.040 1.00 1.00 H new ATOM 0 HA LYS A 10 51.120 -14.122 0.430 1.00 1.00 H new ATOM 0 HB2 LYS A 10 51.036 -12.156 2.173 1.00 1.00 H new ATOM 0 HB3 LYS A 10 52.758 -12.429 2.354 1.00 1.00 H new ATOM 0 HG2 LYS A 10 53.090 -12.118 -0.099 1.00 1.00 H new ATOM 0 HG3 LYS A 10 51.364 -11.920 -0.326 1.00 1.00 H new ATOM 0 HD2 LYS A 10 52.429 -9.697 -0.220 1.00 1.00 H new ATOM 0 HD3 LYS A 10 51.395 -9.909 1.180 1.00 1.00 H new ATOM 0 HE2 LYS A 10 53.223 -10.185 2.665 1.00 1.00 H new ATOM 0 HE3 LYS A 10 54.306 -10.734 1.401 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 54.813 -8.460 2.062 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 54.286 -8.493 0.448 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 53.237 -7.961 1.673 1.00 1.00 H new ATOM 171 N PRO A 11 53.096 -16.008 1.042 1.00 1.00 N ATOM 172 CA PRO A 11 54.347 -16.796 0.805 1.00 1.00 C ATOM 173 C PRO A 11 54.984 -16.484 -0.542 1.00 1.00 C ATOM 174 O PRO A 11 54.327 -16.524 -1.581 1.00 1.00 O ATOM 175 CB PRO A 11 53.874 -18.260 0.865 1.00 1.00 C ATOM 176 CG PRO A 11 52.399 -18.207 0.613 1.00 1.00 C ATOM 177 CD PRO A 11 51.926 -16.886 1.204 1.00 1.00 C ATOM 0 HA PRO A 11 55.119 -16.562 1.538 1.00 1.00 H new ATOM 0 HB2 PRO A 11 54.380 -18.868 0.115 1.00 1.00 H new ATOM 0 HB3 PRO A 11 54.092 -18.705 1.836 1.00 1.00 H new ATOM 0 HG2 PRO A 11 52.182 -18.258 -0.454 1.00 1.00 H new ATOM 0 HG3 PRO A 11 51.891 -19.050 1.082 1.00 1.00 H new ATOM 0 HD2 PRO A 11 51.055 -16.498 0.676 1.00 1.00 H new ATOM 0 HD3 PRO A 11 51.643 -16.991 2.251 1.00 1.00 H new ATOM 185 N VAL A 12 56.273 -16.183 -0.507 1.00 1.00 N ATOM 186 CA VAL A 12 57.011 -15.878 -1.728 1.00 1.00 C ATOM 187 C VAL A 12 57.483 -17.144 -2.423 1.00 1.00 C ATOM 188 O VAL A 12 57.352 -17.290 -3.638 1.00 1.00 O ATOM 189 CB VAL A 12 58.211 -14.988 -1.409 1.00 1.00 C ATOM 190 CG1 VAL A 12 58.714 -14.335 -2.697 1.00 1.00 C ATOM 191 CG2 VAL A 12 57.782 -13.913 -0.409 1.00 1.00 C ATOM 0 H VAL A 12 56.829 -16.143 0.347 1.00 1.00 H new ATOM 0 HA VAL A 12 56.335 -15.352 -2.402 1.00 1.00 H new ATOM 0 HB VAL A 12 59.014 -15.584 -0.976 1.00 1.00 H new ATOM 0 HG11 VAL A 12 59.570 -13.699 -2.472 1.00 1.00 H new ATOM 0 HG12 VAL A 12 59.012 -15.109 -3.405 1.00 1.00 H new ATOM 0 HG13 VAL A 12 57.918 -13.731 -3.133 1.00 1.00 H new ATOM 0 HG21 VAL A 12 58.633 -13.273 -0.176 1.00 1.00 H new ATOM 0 HG22 VAL A 12 56.983 -13.311 -0.842 1.00 1.00 H new ATOM 0 HG23 VAL A 12 57.424 -14.388 0.504 1.00 1.00 H new ATOM 201 N THR A 13 58.045 -18.050 -1.641 1.00 1.00 N ATOM 202 CA THR A 13 58.556 -19.309 -2.176 1.00 1.00 C ATOM 203 C THR A 13 57.462 -20.365 -2.214 1.00 1.00 C ATOM 204 O THR A 13 57.624 -21.408 -2.846 1.00 1.00 O ATOM 205 CB THR A 13 59.725 -19.814 -1.325 1.00 1.00 C ATOM 206 OG1 THR A 13 60.758 -18.838 -1.317 1.00 1.00 O ATOM 207 CG2 THR A 13 60.265 -21.123 -1.914 1.00 1.00 C ATOM 0 H THR A 13 58.161 -17.941 -0.633 1.00 1.00 H new ATOM 0 HA THR A 13 58.903 -19.126 -3.193 1.00 1.00 H new ATOM 0 HB THR A 13 59.381 -19.992 -0.306 1.00 1.00 H new ATOM 0 HG1 THR A 13 61.506 -19.158 -0.772 1.00 1.00 H new ATOM 0 HG21 THR A 13 61.097 -21.480 -1.306 1.00 1.00 H new ATOM 0 HG22 THR A 13 59.474 -21.872 -1.922 1.00 1.00 H new ATOM 0 HG23 THR A 13 60.609 -20.949 -2.933 1.00 1.00 H new ATOM 215 N ARG A 14 56.344 -20.095 -1.531 1.00 1.00 N ATOM 216 CA ARG A 14 55.224 -21.050 -1.498 1.00 1.00 C ATOM 217 C ARG A 14 53.931 -20.375 -1.963 1.00 1.00 C ATOM 218 O ARG A 14 52.855 -20.674 -1.444 1.00 1.00 O ATOM 219 CB ARG A 14 55.053 -21.615 -0.063 1.00 1.00 C ATOM 220 CG ARG A 14 54.682 -23.103 -0.104 1.00 1.00 C ATOM 221 CD ARG A 14 54.237 -23.553 1.291 1.00 1.00 C ATOM 222 NE ARG A 14 55.319 -23.363 2.251 1.00 1.00 N ATOM 223 CZ ARG A 14 56.292 -24.260 2.379 1.00 1.00 C ATOM 224 NH1 ARG A 14 56.301 -25.324 1.624 1.00 1.00 N ATOM 225 NH2 ARG A 14 57.242 -24.070 3.253 1.00 1.00 N ATOM 0 H ARG A 14 56.189 -19.238 -1.000 1.00 1.00 H new ATOM 0 HA ARG A 14 55.444 -21.873 -2.177 1.00 1.00 H new ATOM 0 HB2 ARG A 14 55.978 -21.482 0.498 1.00 1.00 H new ATOM 0 HB3 ARG A 14 54.278 -21.057 0.463 1.00 1.00 H new ATOM 0 HG2 ARG A 14 53.882 -23.270 -0.825 1.00 1.00 H new ATOM 0 HG3 ARG A 14 55.537 -23.694 -0.434 1.00 1.00 H new ATOM 0 HD2 ARG A 14 53.361 -22.984 1.602 1.00 1.00 H new ATOM 0 HD3 ARG A 14 53.943 -24.602 1.266 1.00 1.00 H new ATOM 0 HE ARG A 14 55.329 -22.527 2.835 1.00 1.00 H new ATOM 0 HH11 ARG A 14 55.562 -25.467 0.936 1.00 1.00 H new ATOM 0 HH12 ARG A 14 57.047 -26.012 1.722 1.00 1.00 H new ATOM 0 HH21 ARG A 14 57.238 -23.234 3.837 1.00 1.00 H new ATOM 0 HH22 ARG A 14 57.989 -24.758 3.352 1.00 1.00 H new ATOM 239 N GLY A 15 54.042 -19.466 -2.945 1.00 1.00 N ATOM 240 CA GLY A 15 52.872 -18.762 -3.476 1.00 1.00 C ATOM 241 C GLY A 15 51.656 -19.675 -3.509 1.00 1.00 C ATOM 242 O GLY A 15 51.454 -20.424 -4.465 1.00 1.00 O ATOM 0 H GLY A 15 54.926 -19.205 -3.383 1.00 1.00 H new ATOM 0 HA2 GLY A 15 52.659 -17.888 -2.861 1.00 1.00 H new ATOM 0 HA3 GLY A 15 53.086 -18.399 -4.481 1.00 1.00 H new ATOM 246 N THR A 16 50.865 -19.610 -2.444 1.00 1.00 N ATOM 247 CA THR A 16 49.659 -20.435 -2.320 1.00 1.00 C ATOM 248 C THR A 16 48.991 -20.630 -3.676 1.00 1.00 C ATOM 249 O THR A 16 48.388 -21.668 -3.943 1.00 1.00 O ATOM 250 CB THR A 16 48.666 -19.766 -1.364 1.00 1.00 C ATOM 251 OG1 THR A 16 47.359 -20.257 -1.631 1.00 1.00 O ATOM 252 CG2 THR A 16 48.690 -18.249 -1.572 1.00 1.00 C ATOM 0 H THR A 16 51.034 -18.994 -1.649 1.00 1.00 H new ATOM 0 HA THR A 16 49.954 -21.409 -1.929 1.00 1.00 H new ATOM 0 HB THR A 16 48.944 -19.993 -0.335 1.00 1.00 H new ATOM 0 HG1 THR A 16 46.719 -19.833 -1.021 1.00 1.00 H new ATOM 0 HG21 THR A 16 47.982 -17.777 -0.890 1.00 1.00 H new ATOM 0 HG22 THR A 16 49.693 -17.870 -1.374 1.00 1.00 H new ATOM 0 HG23 THR A 16 48.412 -18.018 -2.600 1.00 1.00 H new ATOM 260 N GLY A 17 49.108 -19.616 -4.526 1.00 1.00 N ATOM 261 CA GLY A 17 48.516 -19.665 -5.866 1.00 1.00 C ATOM 262 C GLY A 17 47.214 -18.876 -5.899 1.00 1.00 C ATOM 263 O GLY A 17 46.323 -19.096 -5.079 1.00 1.00 O ATOM 0 H GLY A 17 49.605 -18.751 -4.316 1.00 1.00 H new ATOM 0 HA2 GLY A 17 49.215 -19.256 -6.595 1.00 1.00 H new ATOM 0 HA3 GLY A 17 48.329 -20.700 -6.150 1.00 1.00 H new ATOM 267 N ALA A 18 47.106 -17.961 -6.855 1.00 1.00 N ATOM 268 CA ALA A 18 45.903 -17.148 -6.986 1.00 1.00 C ATOM 269 C ALA A 18 44.756 -18.009 -7.511 1.00 1.00 C ATOM 270 O ALA A 18 44.257 -17.794 -8.614 1.00 1.00 O ATOM 271 CB ALA A 18 46.161 -15.990 -7.949 1.00 1.00 C ATOM 0 H ALA A 18 47.830 -17.764 -7.546 1.00 1.00 H new ATOM 0 HA ALA A 18 45.634 -16.746 -6.009 1.00 1.00 H new ATOM 0 HB1 ALA A 18 45.258 -15.386 -8.042 1.00 1.00 H new ATOM 0 HB2 ALA A 18 46.973 -15.372 -7.565 1.00 1.00 H new ATOM 0 HB3 ALA A 18 46.436 -16.385 -8.927 1.00 1.00 H new ATOM 277 N GLY A 19 44.351 -18.997 -6.711 1.00 1.00 N ATOM 278 CA GLY A 19 43.264 -19.912 -7.098 1.00 1.00 C ATOM 279 C GLY A 19 42.005 -19.644 -6.284 1.00 1.00 C ATOM 280 O GLY A 19 41.497 -20.524 -5.591 1.00 1.00 O ATOM 0 H GLY A 19 44.754 -19.188 -5.794 1.00 1.00 H new ATOM 0 HA2 GLY A 19 43.046 -19.794 -8.160 1.00 1.00 H new ATOM 0 HA3 GLY A 19 43.583 -20.944 -6.951 1.00 1.00 H new ATOM 284 N SER A 20 41.512 -18.419 -6.379 1.00 1.00 N ATOM 285 CA SER A 20 40.311 -18.019 -5.655 1.00 1.00 C ATOM 286 C SER A 20 39.784 -16.695 -6.191 1.00 1.00 C ATOM 287 O SER A 20 39.579 -15.749 -5.431 1.00 1.00 O ATOM 288 CB SER A 20 40.629 -17.850 -4.175 1.00 1.00 C ATOM 289 OG SER A 20 40.998 -19.104 -3.618 1.00 1.00 O ATOM 0 H SER A 20 41.924 -17.682 -6.951 1.00 1.00 H new ATOM 0 HA SER A 20 39.557 -18.795 -5.790 1.00 1.00 H new ATOM 0 HB2 SER A 20 41.439 -17.132 -4.047 1.00 1.00 H new ATOM 0 HB3 SER A 20 39.762 -17.449 -3.650 1.00 1.00 H new ATOM 0 HG SER A 20 40.725 -19.824 -4.224 1.00 1.00 H new ATOM 295 N ARG A 21 39.581 -16.626 -7.503 1.00 1.00 N ATOM 296 CA ARG A 21 39.090 -15.397 -8.145 1.00 1.00 C ATOM 297 C ARG A 21 37.669 -15.608 -8.687 1.00 1.00 C ATOM 298 O ARG A 21 37.114 -16.700 -8.574 1.00 1.00 O ATOM 299 CB ARG A 21 40.046 -14.977 -9.291 1.00 1.00 C ATOM 300 CG ARG A 21 41.386 -15.720 -9.168 1.00 1.00 C ATOM 301 CD ARG A 21 42.445 -15.047 -10.058 1.00 1.00 C ATOM 302 NE ARG A 21 43.410 -16.035 -10.526 1.00 1.00 N ATOM 303 CZ ARG A 21 44.210 -15.774 -11.556 1.00 1.00 C ATOM 304 NH1 ARG A 21 44.142 -14.617 -12.156 1.00 1.00 N ATOM 305 NH2 ARG A 21 45.062 -16.676 -11.965 1.00 1.00 N ATOM 0 H ARG A 21 39.746 -17.400 -8.146 1.00 1.00 H new ATOM 0 HA ARG A 21 39.062 -14.601 -7.401 1.00 1.00 H new ATOM 0 HB2 ARG A 21 39.588 -15.197 -10.255 1.00 1.00 H new ATOM 0 HB3 ARG A 21 40.215 -13.901 -9.257 1.00 1.00 H new ATOM 0 HG2 ARG A 21 41.718 -15.719 -8.130 1.00 1.00 H new ATOM 0 HG3 ARG A 21 41.262 -16.762 -9.462 1.00 1.00 H new ATOM 0 HD2 ARG A 21 41.963 -14.567 -10.910 1.00 1.00 H new ATOM 0 HD3 ARG A 21 42.957 -14.264 -9.498 1.00 1.00 H new ATOM 0 HE ARG A 21 43.472 -16.939 -10.057 1.00 1.00 H new ATOM 0 HH11 ARG A 21 43.476 -13.914 -11.835 1.00 1.00 H new ATOM 0 HH12 ARG A 21 44.755 -14.415 -12.946 1.00 1.00 H new ATOM 0 HH21 ARG A 21 45.113 -17.580 -11.495 1.00 1.00 H new ATOM 0 HH22 ARG A 21 45.676 -16.477 -12.755 1.00 1.00 H new ATOM 319 N PRO A 22 37.075 -14.587 -9.270 1.00 1.00 N ATOM 320 CA PRO A 22 35.690 -14.673 -9.835 1.00 1.00 C ATOM 321 C PRO A 22 35.566 -15.731 -10.925 1.00 1.00 C ATOM 322 O PRO A 22 34.478 -16.236 -11.196 1.00 1.00 O ATOM 323 CB PRO A 22 35.433 -13.260 -10.399 1.00 1.00 C ATOM 324 CG PRO A 22 36.401 -12.379 -9.682 1.00 1.00 C ATOM 325 CD PRO A 22 37.638 -13.238 -9.452 1.00 1.00 C ATOM 0 HA PRO A 22 34.964 -14.973 -9.080 1.00 1.00 H new ATOM 0 HB2 PRO A 22 35.594 -13.229 -11.477 1.00 1.00 H new ATOM 0 HB3 PRO A 22 34.405 -12.945 -10.221 1.00 1.00 H new ATOM 0 HG2 PRO A 22 36.641 -11.496 -10.274 1.00 1.00 H new ATOM 0 HG3 PRO A 22 35.986 -12.027 -8.737 1.00 1.00 H new ATOM 0 HD2 PRO A 22 38.321 -13.197 -10.300 1.00 1.00 H new ATOM 0 HD3 PRO A 22 38.198 -12.913 -8.575 1.00 1.00 H new ATOM 333 N ARG A 23 36.686 -16.040 -11.554 1.00 1.00 N ATOM 334 CA ARG A 23 36.702 -17.029 -12.633 1.00 1.00 C ATOM 335 C ARG A 23 36.064 -18.334 -12.164 1.00 1.00 C ATOM 336 O ARG A 23 36.760 -19.262 -11.753 1.00 1.00 O ATOM 337 CB ARG A 23 38.140 -17.307 -13.087 1.00 1.00 C ATOM 338 CG ARG A 23 38.841 -15.987 -13.419 1.00 1.00 C ATOM 339 CD ARG A 23 40.267 -16.276 -13.886 1.00 1.00 C ATOM 340 NE ARG A 23 41.031 -16.901 -12.812 1.00 1.00 N ATOM 341 CZ ARG A 23 42.156 -17.560 -13.066 1.00 1.00 C ATOM 342 NH1 ARG A 23 42.592 -17.656 -14.292 1.00 1.00 N ATOM 343 NH2 ARG A 23 42.820 -18.117 -12.091 1.00 1.00 N ATOM 0 H ARG A 23 37.594 -15.627 -11.343 1.00 1.00 H new ATOM 0 HA ARG A 23 36.133 -16.626 -13.470 1.00 1.00 H new ATOM 0 HB2 ARG A 23 38.684 -17.831 -12.302 1.00 1.00 H new ATOM 0 HB3 ARG A 23 38.136 -17.958 -13.961 1.00 1.00 H new ATOM 0 HG2 ARG A 23 38.292 -15.456 -14.197 1.00 1.00 H new ATOM 0 HG3 ARG A 23 38.857 -15.340 -12.542 1.00 1.00 H new ATOM 0 HD2 ARG A 23 40.247 -16.931 -14.757 1.00 1.00 H new ATOM 0 HD3 ARG A 23 40.751 -15.350 -14.195 1.00 1.00 H new ATOM 0 HE ARG A 23 40.696 -16.831 -11.851 1.00 1.00 H new ATOM 0 HH11 ARG A 23 42.069 -17.225 -15.054 1.00 1.00 H new ATOM 0 HH12 ARG A 23 43.456 -18.162 -14.488 1.00 1.00 H new ATOM 0 HH21 ARG A 23 42.475 -18.046 -11.134 1.00 1.00 H new ATOM 0 HH22 ARG A 23 43.684 -18.623 -12.286 1.00 1.00 H new ATOM 357 N GLY A 24 34.739 -18.394 -12.226 1.00 1.00 N ATOM 358 CA GLY A 24 34.012 -19.585 -11.800 1.00 1.00 C ATOM 359 C GLY A 24 32.514 -19.313 -11.759 1.00 1.00 C ATOM 360 O GLY A 24 31.751 -19.872 -12.547 1.00 1.00 O ATOM 0 H GLY A 24 34.148 -17.635 -12.566 1.00 1.00 H new ATOM 0 HA2 GLY A 24 34.219 -20.408 -12.484 1.00 1.00 H new ATOM 0 HA3 GLY A 24 34.358 -19.895 -10.814 1.00 1.00 H new ATOM 364 N GLN A 25 32.097 -18.445 -10.841 1.00 1.00 N ATOM 365 CA GLN A 25 30.685 -18.105 -10.721 1.00 1.00 C ATOM 366 C GLN A 25 30.264 -17.197 -11.872 1.00 1.00 C ATOM 367 O GLN A 25 30.148 -15.982 -11.708 1.00 1.00 O ATOM 368 CB GLN A 25 30.418 -17.401 -9.384 1.00 1.00 C ATOM 369 CG GLN A 25 31.518 -16.362 -9.098 1.00 1.00 C ATOM 370 CD GLN A 25 32.723 -17.027 -8.436 1.00 1.00 C ATOM 371 OE1 GLN A 25 32.917 -18.236 -8.568 1.00 1.00 O ATOM 372 NE2 GLN A 25 33.541 -16.306 -7.719 1.00 1.00 N ATOM 0 H GLN A 25 32.709 -17.970 -10.178 1.00 1.00 H new ATOM 0 HA GLN A 25 30.103 -19.026 -10.760 1.00 1.00 H new ATOM 0 HB2 GLN A 25 29.444 -16.912 -9.411 1.00 1.00 H new ATOM 0 HB3 GLN A 25 30.384 -18.135 -8.579 1.00 1.00 H new ATOM 0 HG2 GLN A 25 31.825 -15.883 -10.028 1.00 1.00 H new ATOM 0 HG3 GLN A 25 31.126 -15.578 -8.450 1.00 1.00 H new ATOM 0 HE21 GLN A 25 33.378 -15.305 -7.611 1.00 1.00 H new ATOM 0 HE22 GLN A 25 34.343 -16.744 -7.266 1.00 1.00 H new ATOM 381 N ASN A 26 30.037 -17.797 -13.038 1.00 1.00 N ATOM 382 CA ASN A 26 29.624 -17.032 -14.226 1.00 1.00 C ATOM 383 C ASN A 26 28.109 -17.102 -14.413 1.00 1.00 C ATOM 384 O ASN A 26 27.594 -16.832 -15.497 1.00 1.00 O ATOM 385 CB ASN A 26 30.322 -17.557 -15.495 1.00 1.00 C ATOM 386 CG ASN A 26 30.276 -16.494 -16.589 1.00 1.00 C ATOM 387 OD1 ASN A 26 29.987 -16.804 -17.745 1.00 1.00 O ATOM 388 ND2 ASN A 26 30.542 -15.251 -16.291 1.00 1.00 N ATOM 0 H ASN A 26 30.129 -18.801 -13.192 1.00 1.00 H new ATOM 0 HA ASN A 26 29.919 -15.995 -14.067 1.00 1.00 H new ATOM 0 HB2 ASN A 26 31.357 -17.816 -15.271 1.00 1.00 H new ATOM 0 HB3 ASN A 26 29.833 -18.468 -15.840 1.00 1.00 H new ATOM 0 HD21 ASN A 26 30.511 -14.535 -17.016 1.00 1.00 H new ATOM 0 HD22 ASN A 26 30.781 -14.996 -15.333 1.00 1.00 H new ATOM 395 N LYS A 27 27.402 -17.473 -13.346 1.00 1.00 N ATOM 396 CA LYS A 27 25.934 -17.589 -13.392 1.00 1.00 C ATOM 397 C LYS A 27 25.258 -16.359 -12.786 1.00 1.00 C ATOM 398 O LYS A 27 24.055 -16.162 -12.947 1.00 1.00 O ATOM 399 CB LYS A 27 25.483 -18.856 -12.645 1.00 1.00 C ATOM 400 CG LYS A 27 23.959 -18.985 -12.713 1.00 1.00 C ATOM 401 CD LYS A 27 23.543 -20.398 -12.291 1.00 1.00 C ATOM 402 CE LYS A 27 23.933 -20.642 -10.832 1.00 1.00 C ATOM 403 NZ LYS A 27 23.198 -21.832 -10.316 1.00 1.00 N ATOM 0 H LYS A 27 27.814 -17.699 -12.441 1.00 1.00 H new ATOM 0 HA LYS A 27 25.635 -17.657 -14.438 1.00 1.00 H new ATOM 0 HB2 LYS A 27 25.951 -19.736 -13.087 1.00 1.00 H new ATOM 0 HB3 LYS A 27 25.807 -18.811 -11.605 1.00 1.00 H new ATOM 0 HG2 LYS A 27 23.492 -18.247 -12.060 1.00 1.00 H new ATOM 0 HG3 LYS A 27 23.611 -18.780 -13.726 1.00 1.00 H new ATOM 0 HD2 LYS A 27 22.467 -20.522 -12.414 1.00 1.00 H new ATOM 0 HD3 LYS A 27 24.024 -21.135 -12.933 1.00 1.00 H new ATOM 0 HE2 LYS A 27 25.008 -20.803 -10.753 1.00 1.00 H new ATOM 0 HE3 LYS A 27 23.697 -19.765 -10.229 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 23.462 -22.000 -9.324 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 22.174 -21.661 -10.378 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 23.445 -22.666 -10.886 1.00 1.00 H new ATOM 417 N GLU A 28 26.035 -15.530 -12.097 1.00 1.00 N ATOM 418 CA GLU A 28 25.492 -14.315 -11.480 1.00 1.00 C ATOM 419 C GLU A 28 24.325 -14.649 -10.556 1.00 1.00 C ATOM 420 O GLU A 28 23.162 -14.490 -10.923 1.00 1.00 O ATOM 421 CB GLU A 28 25.021 -13.336 -12.558 1.00 1.00 C ATOM 422 CG GLU A 28 26.230 -12.806 -13.326 1.00 1.00 C ATOM 423 CD GLU A 28 25.775 -11.855 -14.426 1.00 1.00 C ATOM 424 OE1 GLU A 28 25.202 -10.831 -14.097 1.00 1.00 O ATOM 425 OE2 GLU A 28 26.008 -12.165 -15.583 1.00 1.00 O ATOM 0 H GLU A 28 27.034 -15.671 -11.950 1.00 1.00 H new ATOM 0 HA GLU A 28 26.286 -13.854 -10.893 1.00 1.00 H new ATOM 0 HB2 GLU A 28 24.332 -13.834 -13.241 1.00 1.00 H new ATOM 0 HB3 GLU A 28 24.476 -12.510 -12.101 1.00 1.00 H new ATOM 0 HG2 GLU A 28 26.906 -12.289 -12.644 1.00 1.00 H new ATOM 0 HG3 GLU A 28 26.788 -13.636 -13.760 1.00 1.00 H new ATOM 432 N ARG A 29 24.656 -15.106 -9.354 1.00 1.00 N ATOM 433 CA ARG A 29 23.649 -15.465 -8.360 1.00 1.00 C ATOM 434 C ARG A 29 24.284 -15.537 -6.968 1.00 1.00 C ATOM 435 O ARG A 29 23.915 -14.770 -6.076 1.00 1.00 O ATOM 436 CB ARG A 29 22.993 -16.825 -8.718 1.00 1.00 C ATOM 437 CG ARG A 29 21.583 -16.626 -9.292 1.00 1.00 C ATOM 438 CD ARG A 29 20.920 -17.991 -9.491 1.00 1.00 C ATOM 439 NE ARG A 29 20.452 -18.521 -8.211 1.00 1.00 N ATOM 440 CZ ARG A 29 19.280 -18.156 -7.702 1.00 1.00 C ATOM 441 NH1 ARG A 29 18.528 -17.307 -8.344 1.00 1.00 N ATOM 442 NH2 ARG A 29 18.880 -18.650 -6.561 1.00 1.00 N ATOM 0 H ARG A 29 25.618 -15.237 -9.042 1.00 1.00 H new ATOM 0 HA ARG A 29 22.876 -14.697 -8.357 1.00 1.00 H new ATOM 0 HB2 ARG A 29 23.613 -17.351 -9.444 1.00 1.00 H new ATOM 0 HB3 ARG A 29 22.941 -17.452 -7.828 1.00 1.00 H new ATOM 0 HG2 ARG A 29 20.986 -16.014 -8.616 1.00 1.00 H new ATOM 0 HG3 ARG A 29 21.636 -16.093 -10.241 1.00 1.00 H new ATOM 0 HD2 ARG A 29 20.082 -17.898 -10.182 1.00 1.00 H new ATOM 0 HD3 ARG A 29 21.629 -18.685 -9.942 1.00 1.00 H new ATOM 0 HE ARG A 29 21.036 -19.183 -7.700 1.00 1.00 H new ATOM 0 HH11 ARG A 29 18.839 -16.923 -9.236 1.00 1.00 H new ATOM 0 HH12 ARG A 29 17.628 -17.026 -7.954 1.00 1.00 H new ATOM 0 HH21 ARG A 29 19.467 -19.317 -6.060 1.00 1.00 H new ATOM 0 HH22 ARG A 29 17.980 -18.369 -6.171 1.00 1.00 H new ATOM 456 N PRO A 30 25.216 -16.438 -6.753 1.00 1.00 N ATOM 457 CA PRO A 30 25.877 -16.586 -5.423 1.00 1.00 C ATOM 458 C PRO A 30 26.566 -15.276 -4.995 1.00 1.00 C ATOM 459 O PRO A 30 27.541 -14.867 -5.621 1.00 1.00 O ATOM 460 CB PRO A 30 26.902 -17.722 -5.643 1.00 1.00 C ATOM 461 CG PRO A 30 27.086 -17.808 -7.125 1.00 1.00 C ATOM 462 CD PRO A 30 25.749 -17.405 -7.733 1.00 1.00 C ATOM 0 HA PRO A 30 25.171 -16.813 -4.624 1.00 1.00 H new ATOM 0 HB2 PRO A 30 27.845 -17.503 -5.142 1.00 1.00 H new ATOM 0 HB3 PRO A 30 26.537 -18.665 -5.237 1.00 1.00 H new ATOM 0 HG2 PRO A 30 27.883 -17.144 -7.459 1.00 1.00 H new ATOM 0 HG3 PRO A 30 27.364 -18.818 -7.427 1.00 1.00 H new ATOM 0 HD2 PRO A 30 25.873 -16.955 -8.718 1.00 1.00 H new ATOM 0 HD3 PRO A 30 25.087 -18.262 -7.855 1.00 1.00 H new ATOM 470 N PRO A 31 26.089 -14.599 -3.964 1.00 1.00 N ATOM 471 CA PRO A 31 26.708 -13.313 -3.516 1.00 1.00 C ATOM 472 C PRO A 31 28.015 -13.541 -2.731 1.00 1.00 C ATOM 473 O PRO A 31 27.974 -14.130 -1.654 1.00 1.00 O ATOM 474 CB PRO A 31 25.626 -12.685 -2.619 1.00 1.00 C ATOM 475 CG PRO A 31 24.822 -13.833 -2.086 1.00 1.00 C ATOM 476 CD PRO A 31 24.930 -14.967 -3.119 1.00 1.00 C ATOM 0 HA PRO A 31 26.993 -12.678 -4.355 1.00 1.00 H new ATOM 0 HB2 PRO A 31 26.075 -12.112 -1.808 1.00 1.00 H new ATOM 0 HB3 PRO A 31 24.998 -11.998 -3.186 1.00 1.00 H new ATOM 0 HG2 PRO A 31 25.203 -14.155 -1.117 1.00 1.00 H new ATOM 0 HG3 PRO A 31 23.782 -13.542 -1.939 1.00 1.00 H new ATOM 0 HD2 PRO A 31 25.084 -15.931 -2.634 1.00 1.00 H new ATOM 0 HD3 PRO A 31 24.019 -15.051 -3.712 1.00 1.00 H new ATOM 484 N PRO A 32 29.164 -13.098 -3.231 1.00 1.00 N ATOM 485 CA PRO A 32 30.473 -13.275 -2.510 1.00 1.00 C ATOM 486 C PRO A 32 30.424 -12.792 -1.050 1.00 1.00 C ATOM 487 O PRO A 32 29.484 -13.079 -0.314 1.00 1.00 O ATOM 488 CB PRO A 32 31.465 -12.428 -3.331 1.00 1.00 C ATOM 489 CG PRO A 32 30.884 -12.364 -4.703 1.00 1.00 C ATOM 490 CD PRO A 32 29.361 -12.403 -4.525 1.00 1.00 C ATOM 0 HA PRO A 32 30.750 -14.327 -2.443 1.00 1.00 H new ATOM 0 HB2 PRO A 32 31.578 -11.431 -2.905 1.00 1.00 H new ATOM 0 HB3 PRO A 32 32.455 -12.884 -3.344 1.00 1.00 H new ATOM 0 HG2 PRO A 32 31.193 -11.452 -5.214 1.00 1.00 H new ATOM 0 HG3 PRO A 32 31.227 -13.202 -5.310 1.00 1.00 H new ATOM 0 HD2 PRO A 32 28.936 -11.399 -4.507 1.00 1.00 H new ATOM 0 HD3 PRO A 32 28.878 -12.939 -5.342 1.00 1.00 H new ATOM 498 N VAL A 33 31.452 -12.051 -0.645 1.00 1.00 N ATOM 499 CA VAL A 33 31.520 -11.526 0.717 1.00 1.00 C ATOM 500 C VAL A 33 31.489 -12.657 1.740 1.00 1.00 C ATOM 501 O VAL A 33 30.477 -12.874 2.408 1.00 1.00 O ATOM 502 CB VAL A 33 30.344 -10.583 0.959 1.00 1.00 C ATOM 503 CG1 VAL A 33 30.556 -9.818 2.267 1.00 1.00 C ATOM 504 CG2 VAL A 33 30.245 -9.592 -0.202 1.00 1.00 C ATOM 0 H VAL A 33 32.245 -11.801 -1.236 1.00 1.00 H new ATOM 0 HA VAL A 33 32.459 -10.984 0.832 1.00 1.00 H new ATOM 0 HB VAL A 33 29.423 -11.162 1.027 1.00 1.00 H new ATOM 0 HG11 VAL A 33 29.715 -9.146 2.436 1.00 1.00 H new ATOM 0 HG12 VAL A 33 30.628 -10.524 3.094 1.00 1.00 H new ATOM 0 HG13 VAL A 33 31.477 -9.238 2.204 1.00 1.00 H new ATOM 0 HG21 VAL A 33 29.406 -8.917 -0.033 1.00 1.00 H new ATOM 0 HG22 VAL A 33 31.168 -9.015 -0.268 1.00 1.00 H new ATOM 0 HG23 VAL A 33 30.090 -10.137 -1.133 1.00 1.00 H new ATOM 514 N PRO A 34 32.575 -13.366 1.876 1.00 1.00 N ATOM 515 CA PRO A 34 32.682 -14.493 2.846 1.00 1.00 C ATOM 516 C PRO A 34 32.490 -14.020 4.288 1.00 1.00 C ATOM 517 O PRO A 34 32.899 -12.918 4.650 1.00 1.00 O ATOM 518 CB PRO A 34 34.107 -15.046 2.622 1.00 1.00 C ATOM 519 CG PRO A 34 34.535 -14.515 1.288 1.00 1.00 C ATOM 520 CD PRO A 34 33.818 -13.178 1.118 1.00 1.00 C ATOM 0 HA PRO A 34 31.910 -15.246 2.689 1.00 1.00 H new ATOM 0 HB2 PRO A 34 34.784 -14.718 3.411 1.00 1.00 H new ATOM 0 HB3 PRO A 34 34.111 -16.136 2.631 1.00 1.00 H new ATOM 0 HG2 PRO A 34 35.617 -14.386 1.248 1.00 1.00 H new ATOM 0 HG3 PRO A 34 34.267 -15.206 0.489 1.00 1.00 H new ATOM 0 HD2 PRO A 34 34.409 -12.351 1.512 1.00 1.00 H new ATOM 0 HD3 PRO A 34 33.621 -12.957 0.069 1.00 1.00 H new ATOM 528 N ASN A 35 31.876 -14.869 5.107 1.00 1.00 N ATOM 529 CA ASN A 35 31.644 -14.545 6.513 1.00 1.00 C ATOM 530 C ASN A 35 32.789 -15.096 7.377 1.00 1.00 C ATOM 531 O ASN A 35 33.258 -14.423 8.296 1.00 1.00 O ATOM 532 CB ASN A 35 30.294 -15.147 6.974 1.00 1.00 C ATOM 533 CG ASN A 35 29.304 -14.052 7.384 1.00 1.00 C ATOM 534 OD1 ASN A 35 29.119 -13.799 8.573 1.00 1.00 O ATOM 535 ND2 ASN A 35 28.655 -13.387 6.466 1.00 1.00 N ATOM 0 H ASN A 35 31.530 -15.786 4.823 1.00 1.00 H new ATOM 0 HA ASN A 35 31.608 -13.462 6.627 1.00 1.00 H new ATOM 0 HB2 ASN A 35 29.866 -15.743 6.168 1.00 1.00 H new ATOM 0 HB3 ASN A 35 30.462 -15.821 7.814 1.00 1.00 H new ATOM 0 HD21 ASN A 35 27.995 -12.658 6.735 1.00 1.00 H new ATOM 0 HD22 ASN A 35 28.809 -13.597 5.480 1.00 1.00 H new ATOM 542 N PRO A 36 33.236 -16.301 7.106 1.00 1.00 N ATOM 543 CA PRO A 36 34.336 -16.938 7.886 1.00 1.00 C ATOM 544 C PRO A 36 35.593 -16.073 7.913 1.00 1.00 C ATOM 545 O PRO A 36 36.517 -16.328 8.685 1.00 1.00 O ATOM 546 CB PRO A 36 34.578 -18.280 7.167 1.00 1.00 C ATOM 547 CG PRO A 36 33.307 -18.557 6.429 1.00 1.00 C ATOM 548 CD PRO A 36 32.743 -17.192 6.039 1.00 1.00 C ATOM 0 HA PRO A 36 34.073 -17.071 8.935 1.00 1.00 H new ATOM 0 HB2 PRO A 36 35.425 -18.215 6.484 1.00 1.00 H new ATOM 0 HB3 PRO A 36 34.803 -19.074 7.879 1.00 1.00 H new ATOM 0 HG2 PRO A 36 33.493 -19.169 5.547 1.00 1.00 H new ATOM 0 HG3 PRO A 36 32.604 -19.106 7.055 1.00 1.00 H new ATOM 0 HD2 PRO A 36 33.096 -16.877 5.057 1.00 1.00 H new ATOM 0 HD3 PRO A 36 31.654 -17.204 5.997 1.00 1.00 H new ATOM 556 N ASP A 37 35.618 -15.047 7.069 1.00 1.00 N ATOM 557 CA ASP A 37 36.764 -14.148 7.012 1.00 1.00 C ATOM 558 C ASP A 37 36.604 -13.025 8.032 1.00 1.00 C ATOM 559 O ASP A 37 37.428 -12.115 8.095 1.00 1.00 O ATOM 560 CB ASP A 37 36.897 -13.550 5.610 1.00 1.00 C ATOM 561 CG ASP A 37 35.600 -12.857 5.216 1.00 1.00 C ATOM 562 OD1 ASP A 37 34.754 -12.690 6.080 1.00 1.00 O ATOM 563 OD2 ASP A 37 35.469 -12.500 4.056 1.00 1.00 O ATOM 0 H ASP A 37 34.865 -14.819 6.420 1.00 1.00 H new ATOM 0 HA ASP A 37 37.663 -14.718 7.245 1.00 1.00 H new ATOM 0 HB2 ASP A 37 37.722 -12.838 5.586 1.00 1.00 H new ATOM 0 HB3 ASP A 37 37.133 -14.335 4.891 1.00 1.00 H new ATOM 568 N TYR A 38 35.532 -13.089 8.827 1.00 1.00 N ATOM 569 CA TYR A 38 35.279 -12.059 9.841 1.00 1.00 C ATOM 570 C TYR A 38 35.913 -12.444 11.172 1.00 1.00 C ATOM 571 O TYR A 38 35.700 -11.769 12.182 1.00 1.00 O ATOM 572 CB TYR A 38 33.778 -11.860 10.048 1.00 1.00 C ATOM 573 CG TYR A 38 33.536 -10.610 10.864 1.00 1.00 C ATOM 574 CD1 TYR A 38 33.647 -9.349 10.264 1.00 1.00 C ATOM 575 CD2 TYR A 38 33.198 -10.712 12.219 1.00 1.00 C ATOM 576 CE1 TYR A 38 33.419 -8.191 11.020 1.00 1.00 C ATOM 577 CE2 TYR A 38 32.971 -9.556 12.974 1.00 1.00 C ATOM 578 CZ TYR A 38 33.082 -8.295 12.374 1.00 1.00 C ATOM 579 OH TYR A 38 32.856 -7.156 13.119 1.00 1.00 O ATOM 0 H TYR A 38 34.834 -13.832 8.791 1.00 1.00 H new ATOM 0 HA TYR A 38 35.723 -11.130 9.483 1.00 1.00 H new ATOM 0 HB2 TYR A 38 33.276 -11.779 9.084 1.00 1.00 H new ATOM 0 HB3 TYR A 38 33.354 -12.726 10.557 1.00 1.00 H new ATOM 0 HD1 TYR A 38 33.908 -9.269 9.219 1.00 1.00 H new ATOM 0 HD2 TYR A 38 33.112 -11.684 12.682 1.00 1.00 H new ATOM 0 HE1 TYR A 38 33.503 -7.219 10.558 1.00 1.00 H new ATOM 0 HE2 TYR A 38 32.710 -9.636 14.019 1.00 1.00 H new ATOM 0 HH TYR A 38 32.632 -7.406 14.040 1.00 1.00 H new ATOM 589 N GLU A 39 36.695 -13.529 11.177 1.00 1.00 N ATOM 590 CA GLU A 39 37.358 -13.988 12.402 1.00 1.00 C ATOM 591 C GLU A 39 38.877 -14.104 12.200 1.00 1.00 C ATOM 592 O GLU A 39 39.481 -15.115 12.562 1.00 1.00 O ATOM 593 CB GLU A 39 36.781 -15.347 12.826 1.00 1.00 C ATOM 594 CG GLU A 39 35.279 -15.390 12.511 1.00 1.00 C ATOM 595 CD GLU A 39 35.067 -15.758 11.049 1.00 1.00 C ATOM 596 OE1 GLU A 39 35.411 -16.872 10.694 1.00 1.00 O ATOM 597 OE2 GLU A 39 34.570 -14.925 10.309 1.00 1.00 O ATOM 0 H GLU A 39 36.883 -14.101 10.354 1.00 1.00 H new ATOM 0 HA GLU A 39 37.176 -13.253 13.186 1.00 1.00 H new ATOM 0 HB2 GLU A 39 37.296 -16.152 12.301 1.00 1.00 H new ATOM 0 HB3 GLU A 39 36.944 -15.506 13.892 1.00 1.00 H new ATOM 0 HG2 GLU A 39 34.784 -16.118 13.154 1.00 1.00 H new ATOM 0 HG3 GLU A 39 34.827 -14.421 12.720 1.00 1.00 H new ATOM 604 N PRO A 40 39.500 -13.091 11.642 1.00 1.00 N ATOM 605 CA PRO A 40 40.981 -13.077 11.399 1.00 1.00 C ATOM 606 C PRO A 40 41.788 -13.016 12.699 1.00 1.00 C ATOM 607 O PRO A 40 42.922 -12.539 12.717 1.00 1.00 O ATOM 608 CB PRO A 40 41.198 -11.811 10.553 1.00 1.00 C ATOM 609 CG PRO A 40 40.040 -10.921 10.879 1.00 1.00 C ATOM 610 CD PRO A 40 38.861 -11.850 11.168 1.00 1.00 C ATOM 0 HA PRO A 40 41.321 -13.988 10.907 1.00 1.00 H new ATOM 0 HB2 PRO A 40 42.145 -11.331 10.798 1.00 1.00 H new ATOM 0 HB3 PRO A 40 41.226 -12.048 9.489 1.00 1.00 H new ATOM 0 HG2 PRO A 40 40.262 -10.293 11.742 1.00 1.00 H new ATOM 0 HG3 PRO A 40 39.815 -10.253 10.047 1.00 1.00 H new ATOM 0 HD2 PRO A 40 38.196 -11.429 11.922 1.00 1.00 H new ATOM 0 HD3 PRO A 40 38.261 -12.025 10.275 1.00 1.00 H new ATOM 618 N ILE A 41 41.189 -13.501 13.778 1.00 1.00 N ATOM 619 CA ILE A 41 41.837 -13.505 15.093 1.00 1.00 C ATOM 620 C ILE A 41 42.370 -14.889 15.424 1.00 1.00 C ATOM 621 O ILE A 41 42.857 -15.131 16.528 1.00 1.00 O ATOM 622 CB ILE A 41 40.837 -13.064 16.178 1.00 1.00 C ATOM 623 CG1 ILE A 41 40.243 -11.673 15.820 1.00 1.00 C ATOM 624 CG2 ILE A 41 41.551 -12.997 17.547 1.00 1.00 C ATOM 625 CD1 ILE A 41 38.936 -11.843 15.037 1.00 1.00 C ATOM 0 H ILE A 41 40.250 -13.900 13.773 1.00 1.00 H new ATOM 0 HA ILE A 41 42.672 -12.804 15.064 1.00 1.00 H new ATOM 0 HB ILE A 41 40.025 -13.790 16.233 1.00 1.00 H new ATOM 0 HG12 ILE A 41 40.059 -11.103 16.730 1.00 1.00 H new ATOM 0 HG13 ILE A 41 40.960 -11.105 15.227 1.00 1.00 H new ATOM 0 HG21 ILE A 41 40.841 -12.685 18.313 1.00 1.00 H new ATOM 0 HG22 ILE A 41 41.947 -13.981 17.799 1.00 1.00 H new ATOM 0 HG23 ILE A 41 42.369 -12.278 17.496 1.00 1.00 H new ATOM 0 HD11 ILE A 41 38.529 -10.862 14.792 1.00 1.00 H new ATOM 0 HD12 ILE A 41 39.132 -12.395 14.118 1.00 1.00 H new ATOM 0 HD13 ILE A 41 38.217 -12.393 15.644 1.00 1.00 H new ATOM 637 N ARG A 42 42.286 -15.792 14.455 1.00 1.00 N ATOM 638 CA ARG A 42 42.775 -17.164 14.640 1.00 1.00 C ATOM 639 C ARG A 42 43.993 -17.416 13.752 1.00 1.00 C ATOM 640 O ARG A 42 43.843 -17.756 12.583 1.00 1.00 O ATOM 641 CB ARG A 42 41.659 -18.178 14.297 1.00 1.00 C ATOM 642 CG ARG A 42 41.810 -19.447 15.151 1.00 1.00 C ATOM 643 CD ARG A 42 43.167 -20.101 14.879 1.00 1.00 C ATOM 644 NE ARG A 42 43.230 -21.417 15.511 1.00 1.00 N ATOM 645 CZ ARG A 42 44.387 -21.937 15.920 1.00 1.00 C ATOM 646 NH1 ARG A 42 45.502 -21.278 15.747 1.00 1.00 N ATOM 647 NH2 ARG A 42 44.407 -23.110 16.492 1.00 1.00 N ATOM 0 H ARG A 42 41.887 -15.606 13.535 1.00 1.00 H new ATOM 0 HA ARG A 42 43.064 -17.292 15.683 1.00 1.00 H new ATOM 0 HB2 ARG A 42 40.682 -17.727 14.473 1.00 1.00 H new ATOM 0 HB3 ARG A 42 41.705 -18.436 13.239 1.00 1.00 H new ATOM 0 HG2 ARG A 42 41.723 -19.197 16.208 1.00 1.00 H new ATOM 0 HG3 ARG A 42 41.007 -20.147 14.922 1.00 1.00 H new ATOM 0 HD2 ARG A 42 43.323 -20.198 13.805 1.00 1.00 H new ATOM 0 HD3 ARG A 42 43.967 -19.467 15.261 1.00 1.00 H new ATOM 0 HE ARG A 42 42.370 -21.949 15.642 1.00 1.00 H new ATOM 0 HH11 ARG A 42 45.489 -20.362 15.298 1.00 1.00 H new ATOM 0 HH12 ARG A 42 46.386 -21.679 16.061 1.00 1.00 H new ATOM 0 HH21 ARG A 42 43.538 -23.627 16.625 1.00 1.00 H new ATOM 0 HH22 ARG A 42 45.292 -23.509 16.806 1.00 1.00 H new ATOM 661 N LYS A 43 45.190 -17.254 14.324 1.00 1.00 N ATOM 662 CA LYS A 43 46.440 -17.481 13.591 1.00 1.00 C ATOM 663 C LYS A 43 47.627 -16.891 14.376 1.00 1.00 C ATOM 664 O LYS A 43 47.511 -15.824 14.978 1.00 1.00 O ATOM 665 CB LYS A 43 46.362 -16.848 12.174 1.00 1.00 C ATOM 666 CG LYS A 43 46.107 -17.932 11.087 1.00 1.00 C ATOM 667 CD LYS A 43 47.440 -18.476 10.543 1.00 1.00 C ATOM 668 CE LYS A 43 47.982 -17.565 9.435 1.00 1.00 C ATOM 669 NZ LYS A 43 49.283 -18.104 8.946 1.00 1.00 N ATOM 0 H LYS A 43 45.320 -16.966 15.294 1.00 1.00 H new ATOM 0 HA LYS A 43 46.590 -18.555 13.480 1.00 1.00 H new ATOM 0 HB2 LYS A 43 45.563 -16.107 12.147 1.00 1.00 H new ATOM 0 HB3 LYS A 43 47.292 -16.322 11.956 1.00 1.00 H new ATOM 0 HG2 LYS A 43 45.520 -18.748 11.509 1.00 1.00 H new ATOM 0 HG3 LYS A 43 45.521 -17.507 10.272 1.00 1.00 H new ATOM 0 HD2 LYS A 43 48.167 -18.547 11.352 1.00 1.00 H new ATOM 0 HD3 LYS A 43 47.296 -19.484 10.155 1.00 1.00 H new ATOM 0 HE2 LYS A 43 47.268 -17.507 8.614 1.00 1.00 H new ATOM 0 HE3 LYS A 43 48.115 -16.552 9.814 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 49.653 -17.488 8.194 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 49.963 -18.137 9.733 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 49.142 -19.063 8.570 1.00 1.00 H new ATOM 683 N GLY A 44 48.765 -17.595 14.356 1.00 1.00 N ATOM 684 CA GLY A 44 49.964 -17.130 15.065 1.00 1.00 C ATOM 685 C GLY A 44 50.745 -16.125 14.230 1.00 1.00 C ATOM 686 O GLY A 44 50.711 -14.922 14.489 1.00 1.00 O ATOM 0 H GLY A 44 48.881 -18.480 13.862 1.00 1.00 H new ATOM 0 HA2 GLY A 44 49.675 -16.673 16.012 1.00 1.00 H new ATOM 0 HA3 GLY A 44 50.601 -17.981 15.303 1.00 1.00 H new ATOM 690 N GLN A 45 51.456 -16.633 13.233 1.00 1.00 N ATOM 691 CA GLN A 45 52.259 -15.776 12.362 1.00 1.00 C ATOM 692 C GLN A 45 53.261 -14.978 13.191 1.00 1.00 C ATOM 693 O GLN A 45 53.066 -13.793 13.459 1.00 1.00 O ATOM 694 CB GLN A 45 51.343 -14.823 11.594 1.00 1.00 C ATOM 695 CG GLN A 45 52.143 -14.079 10.523 1.00 1.00 C ATOM 696 CD GLN A 45 52.584 -15.052 9.436 1.00 1.00 C ATOM 697 OE1 GLN A 45 51.878 -15.246 8.445 1.00 1.00 O ATOM 698 NE2 GLN A 45 53.709 -15.696 9.575 1.00 1.00 N ATOM 0 H GLN A 45 51.496 -17.627 13.005 1.00 1.00 H new ATOM 0 HA GLN A 45 52.806 -16.399 11.654 1.00 1.00 H new ATOM 0 HB2 GLN A 45 50.530 -15.382 11.130 1.00 1.00 H new ATOM 0 HB3 GLN A 45 50.888 -14.110 12.281 1.00 1.00 H new ATOM 0 HG2 GLN A 45 51.535 -13.286 10.088 1.00 1.00 H new ATOM 0 HG3 GLN A 45 53.014 -13.603 10.973 1.00 1.00 H new ATOM 0 HE21 GLN A 45 54.292 -15.533 10.396 1.00 1.00 H new ATOM 0 HE22 GLN A 45 54.007 -16.362 8.862 1.00 1.00 H new ATOM 707 N ARG A 46 54.332 -15.646 13.598 1.00 1.00 N ATOM 708 CA ARG A 46 55.371 -15.008 14.404 1.00 1.00 C ATOM 709 C ARG A 46 56.695 -15.746 14.265 1.00 1.00 C ATOM 710 O ARG A 46 57.767 -15.157 14.403 1.00 1.00 O ATOM 711 CB ARG A 46 54.937 -14.959 15.880 1.00 1.00 C ATOM 712 CG ARG A 46 54.984 -16.357 16.538 1.00 1.00 C ATOM 713 CD ARG A 46 53.989 -17.310 15.860 1.00 1.00 C ATOM 714 NE ARG A 46 53.823 -18.519 16.658 1.00 1.00 N ATOM 715 CZ ARG A 46 53.078 -19.530 16.217 1.00 1.00 C ATOM 716 NH1 ARG A 46 52.506 -19.448 15.047 1.00 1.00 N ATOM 717 NH2 ARG A 46 52.923 -20.603 16.946 1.00 1.00 N ATOM 0 H ARG A 46 54.506 -16.628 13.385 1.00 1.00 H new ATOM 0 HA ARG A 46 55.512 -13.990 14.042 1.00 1.00 H new ATOM 0 HB2 ARG A 46 55.587 -14.277 16.428 1.00 1.00 H new ATOM 0 HB3 ARG A 46 53.926 -14.559 15.949 1.00 1.00 H new ATOM 0 HG2 ARG A 46 55.992 -16.765 16.466 1.00 1.00 H new ATOM 0 HG3 ARG A 46 54.749 -16.273 17.599 1.00 1.00 H new ATOM 0 HD2 ARG A 46 53.027 -16.813 15.735 1.00 1.00 H new ATOM 0 HD3 ARG A 46 54.345 -17.570 14.863 1.00 1.00 H new ATOM 0 HE ARG A 46 54.283 -18.591 17.565 1.00 1.00 H new ATOM 0 HH11 ARG A 46 52.631 -18.612 14.476 1.00 1.00 H new ATOM 0 HH12 ARG A 46 51.934 -20.220 14.704 1.00 1.00 H new ATOM 0 HH21 ARG A 46 53.374 -20.669 17.858 1.00 1.00 H new ATOM 0 HH22 ARG A 46 52.351 -21.375 16.603 1.00 1.00 H new ATOM 731 N ASP A 47 56.608 -17.038 13.994 1.00 1.00 N ATOM 732 CA ASP A 47 57.794 -17.864 13.837 1.00 1.00 C ATOM 733 C ASP A 47 58.324 -17.754 12.420 1.00 1.00 C ATOM 734 O ASP A 47 59.274 -18.440 12.051 1.00 1.00 O ATOM 735 CB ASP A 47 57.455 -19.322 14.129 1.00 1.00 C ATOM 736 CG ASP A 47 56.288 -19.759 13.255 1.00 1.00 C ATOM 737 OD1 ASP A 47 55.764 -18.919 12.544 1.00 1.00 O ATOM 738 OD2 ASP A 47 55.938 -20.927 13.304 1.00 1.00 O ATOM 0 H ASP A 47 55.727 -17.538 13.878 1.00 1.00 H new ATOM 0 HA ASP A 47 58.554 -17.516 14.537 1.00 1.00 H new ATOM 0 HB2 ASP A 47 58.323 -19.953 13.937 1.00 1.00 H new ATOM 0 HB3 ASP A 47 57.199 -19.443 15.182 1.00 1.00 H new ATOM 743 N LEU A 48 57.703 -16.895 11.622 1.00 1.00 N ATOM 744 CA LEU A 48 58.136 -16.725 10.245 1.00 1.00 C ATOM 745 C LEU A 48 59.567 -16.173 10.221 1.00 1.00 C ATOM 746 O LEU A 48 60.380 -16.542 9.374 1.00 1.00 O ATOM 747 CB LEU A 48 57.163 -15.792 9.479 1.00 1.00 C ATOM 748 CG LEU A 48 57.568 -15.630 7.991 1.00 1.00 C ATOM 749 CD1 LEU A 48 58.815 -14.719 7.837 1.00 1.00 C ATOM 750 CD2 LEU A 48 57.847 -17.003 7.355 1.00 1.00 C ATOM 0 H LEU A 48 56.911 -16.315 11.900 1.00 1.00 H new ATOM 0 HA LEU A 48 58.128 -17.693 9.743 1.00 1.00 H new ATOM 0 HB2 LEU A 48 56.152 -16.195 9.538 1.00 1.00 H new ATOM 0 HB3 LEU A 48 57.145 -14.814 9.959 1.00 1.00 H new ATOM 0 HG LEU A 48 56.733 -15.157 7.475 1.00 1.00 H new ATOM 0 HD11 LEU A 48 59.071 -14.628 6.781 1.00 1.00 H new ATOM 0 HD12 LEU A 48 58.597 -13.732 8.244 1.00 1.00 H new ATOM 0 HD13 LEU A 48 59.654 -15.157 8.377 1.00 1.00 H new ATOM 0 HD21 LEU A 48 58.130 -16.870 6.311 1.00 1.00 H new ATOM 0 HD22 LEU A 48 58.659 -17.494 7.891 1.00 1.00 H new ATOM 0 HD23 LEU A 48 56.950 -17.619 7.412 1.00 1.00 H new ATOM 762 N TYR A 49 59.866 -15.288 11.170 1.00 1.00 N ATOM 763 CA TYR A 49 61.200 -14.680 11.244 1.00 1.00 C ATOM 764 C TYR A 49 62.286 -15.747 11.112 1.00 1.00 C ATOM 765 O TYR A 49 63.371 -15.477 10.598 1.00 1.00 O ATOM 766 CB TYR A 49 61.384 -13.919 12.569 1.00 1.00 C ATOM 767 CG TYR A 49 62.720 -13.209 12.562 1.00 1.00 C ATOM 768 CD1 TYR A 49 63.886 -13.908 12.897 1.00 1.00 C ATOM 769 CD2 TYR A 49 62.793 -11.850 12.224 1.00 1.00 C ATOM 770 CE1 TYR A 49 65.123 -13.251 12.892 1.00 1.00 C ATOM 771 CE2 TYR A 49 64.030 -11.194 12.218 1.00 1.00 C ATOM 772 CZ TYR A 49 65.194 -11.894 12.554 1.00 1.00 C ATOM 773 OH TYR A 49 66.414 -11.247 12.550 1.00 1.00 O ATOM 0 H TYR A 49 59.215 -14.977 11.891 1.00 1.00 H new ATOM 0 HA TYR A 49 61.290 -13.975 10.418 1.00 1.00 H new ATOM 0 HB2 TYR A 49 60.578 -13.198 12.701 1.00 1.00 H new ATOM 0 HB3 TYR A 49 61.333 -14.612 13.409 1.00 1.00 H new ATOM 0 HD1 TYR A 49 63.832 -14.954 13.159 1.00 1.00 H new ATOM 0 HD2 TYR A 49 61.894 -11.309 11.968 1.00 1.00 H new ATOM 0 HE1 TYR A 49 66.022 -13.791 13.149 1.00 1.00 H new ATOM 0 HE2 TYR A 49 64.086 -10.148 11.954 1.00 1.00 H new ATOM 0 HH TYR A 49 66.287 -10.310 12.292 1.00 1.00 H new ATOM 783 N SER A 50 61.997 -16.957 11.583 1.00 1.00 N ATOM 784 CA SER A 50 62.966 -18.046 11.508 1.00 1.00 C ATOM 785 C SER A 50 63.312 -18.369 10.060 1.00 1.00 C ATOM 786 O SER A 50 64.473 -18.592 9.732 1.00 1.00 O ATOM 787 CB SER A 50 62.403 -19.291 12.192 1.00 1.00 C ATOM 788 OG SER A 50 63.193 -20.419 11.839 1.00 1.00 O ATOM 0 H SER A 50 61.108 -17.207 12.017 1.00 1.00 H new ATOM 0 HA SER A 50 63.876 -17.729 12.018 1.00 1.00 H new ATOM 0 HB2 SER A 50 62.403 -19.157 13.274 1.00 1.00 H new ATOM 0 HB3 SER A 50 61.368 -19.449 11.890 1.00 1.00 H new ATOM 0 HG SER A 50 62.835 -21.219 12.278 1.00 1.00 H new ATOM 794 N GLY A 51 62.301 -18.399 9.205 1.00 1.00 N ATOM 795 CA GLY A 51 62.514 -18.703 7.786 1.00 1.00 C ATOM 796 C GLY A 51 63.049 -17.488 7.038 1.00 1.00 C ATOM 797 O GLY A 51 63.094 -17.481 5.809 1.00 1.00 O ATOM 0 H GLY A 51 61.330 -18.219 9.460 1.00 1.00 H new ATOM 0 HA2 GLY A 51 63.216 -19.531 7.690 1.00 1.00 H new ATOM 0 HA3 GLY A 51 61.576 -19.027 7.336 1.00 1.00 H new ATOM 801 N LEU A 52 63.451 -16.453 7.781 1.00 1.00 N ATOM 802 CA LEU A 52 63.980 -15.231 7.152 1.00 1.00 C ATOM 803 C LEU A 52 65.496 -15.345 6.932 1.00 1.00 C ATOM 804 O LEU A 52 66.090 -14.511 6.250 1.00 1.00 O ATOM 805 CB LEU A 52 63.646 -13.981 8.013 1.00 1.00 C ATOM 806 CG LEU A 52 63.213 -12.786 7.131 1.00 1.00 C ATOM 807 CD1 LEU A 52 64.335 -12.407 6.155 1.00 1.00 C ATOM 808 CD2 LEU A 52 61.922 -13.129 6.343 1.00 1.00 C ATOM 0 H LEU A 52 63.423 -16.431 8.800 1.00 1.00 H new ATOM 0 HA LEU A 52 63.501 -15.115 6.180 1.00 1.00 H new ATOM 0 HB2 LEU A 52 62.849 -14.224 8.716 1.00 1.00 H new ATOM 0 HB3 LEU A 52 64.518 -13.701 8.604 1.00 1.00 H new ATOM 0 HG LEU A 52 63.010 -11.937 7.784 1.00 1.00 H new ATOM 0 HD11 LEU A 52 64.015 -11.565 5.542 1.00 1.00 H new ATOM 0 HD12 LEU A 52 65.227 -12.129 6.716 1.00 1.00 H new ATOM 0 HD13 LEU A 52 64.561 -13.258 5.513 1.00 1.00 H new ATOM 0 HD21 LEU A 52 61.633 -12.276 5.729 1.00 1.00 H new ATOM 0 HD22 LEU A 52 62.105 -13.992 5.703 1.00 1.00 H new ATOM 0 HD23 LEU A 52 61.119 -13.360 7.043 1.00 1.00 H new ATOM 820 N ASN A 53 66.116 -16.381 7.502 1.00 1.00 N ATOM 821 CA ASN A 53 67.562 -16.583 7.337 1.00 1.00 C ATOM 822 C ASN A 53 67.977 -16.348 5.883 1.00 1.00 C ATOM 823 O ASN A 53 69.164 -16.212 5.589 1.00 1.00 O ATOM 824 CB ASN A 53 67.974 -18.015 7.803 1.00 1.00 C ATOM 825 CG ASN A 53 66.811 -18.687 8.521 1.00 1.00 C ATOM 826 OD1 ASN A 53 66.830 -18.828 9.744 1.00 1.00 O ATOM 827 ND2 ASN A 53 65.787 -19.104 7.825 1.00 1.00 N ATOM 0 H ASN A 53 65.650 -17.085 8.074 1.00 1.00 H new ATOM 0 HA ASN A 53 68.082 -15.857 7.962 1.00 1.00 H new ATOM 0 HB2 ASN A 53 68.275 -18.613 6.943 1.00 1.00 H new ATOM 0 HB3 ASN A 53 68.836 -17.956 8.467 1.00 1.00 H new ATOM 0 HD21 ASN A 53 64.998 -19.549 8.295 1.00 1.00 H new ATOM 0 HD22 ASN A 53 65.776 -18.985 6.812 1.00 1.00 H new ATOM 834 N GLN A 54 67.001 -16.300 4.976 1.00 1.00 N ATOM 835 CA GLN A 54 67.297 -16.079 3.566 1.00 1.00 C ATOM 836 C GLN A 54 68.161 -17.211 3.019 1.00 1.00 C ATOM 837 O GLN A 54 68.319 -17.324 1.808 1.00 1.00 O ATOM 838 CB GLN A 54 68.018 -14.738 3.388 1.00 1.00 C ATOM 839 CG GLN A 54 67.846 -14.240 1.947 1.00 1.00 C ATOM 840 CD GLN A 54 66.442 -13.670 1.761 1.00 1.00 C ATOM 841 OE1 GLN A 54 65.614 -14.268 1.074 1.00 1.00 O ATOM 842 NE2 GLN A 54 66.126 -12.543 2.338 1.00 1.00 N ATOM 0 H GLN A 54 66.010 -16.410 5.192 1.00 1.00 H new ATOM 0 HA GLN A 54 66.359 -16.058 3.012 1.00 1.00 H new ATOM 0 HB2 GLN A 54 67.616 -14.004 4.086 1.00 1.00 H new ATOM 0 HB3 GLN A 54 69.077 -14.851 3.619 1.00 1.00 H new ATOM 0 HG2 GLN A 54 68.591 -13.476 1.725 1.00 1.00 H new ATOM 0 HG3 GLN A 54 68.012 -15.059 1.247 1.00 1.00 H new ATOM 0 HE21 GLN A 54 66.815 -12.050 2.907 1.00 1.00 H new ATOM 0 HE22 GLN A 54 65.190 -12.155 2.220 1.00 1.00 H new ATOM 851 N ARG A 55 68.700 -18.047 3.926 1.00 1.00 N ATOM 852 CA ARG A 55 69.547 -19.197 3.537 1.00 1.00 C ATOM 853 C ARG A 55 70.993 -18.747 3.316 1.00 1.00 C ATOM 854 O ARG A 55 71.823 -19.512 2.825 1.00 1.00 O ATOM 855 CB ARG A 55 68.964 -19.875 2.260 1.00 1.00 C ATOM 856 CG ARG A 55 69.760 -19.494 0.985 1.00 1.00 C ATOM 857 CD ARG A 55 68.895 -19.672 -0.257 1.00 1.00 C ATOM 858 NE ARG A 55 69.657 -19.277 -1.437 1.00 1.00 N ATOM 859 CZ ARG A 55 69.055 -18.907 -2.563 1.00 1.00 C ATOM 860 NH1 ARG A 55 67.750 -18.877 -2.636 1.00 1.00 N ATOM 861 NH2 ARG A 55 69.775 -18.561 -3.595 1.00 1.00 N ATOM 0 H ARG A 55 68.566 -17.950 4.933 1.00 1.00 H new ATOM 0 HA ARG A 55 69.549 -19.930 4.344 1.00 1.00 H new ATOM 0 HB2 ARG A 55 68.978 -20.958 2.386 1.00 1.00 H new ATOM 0 HB3 ARG A 55 67.921 -19.582 2.138 1.00 1.00 H new ATOM 0 HG2 ARG A 55 70.097 -18.460 1.055 1.00 1.00 H new ATOM 0 HG3 ARG A 55 70.652 -20.116 0.906 1.00 1.00 H new ATOM 0 HD2 ARG A 55 68.577 -20.711 -0.347 1.00 1.00 H new ATOM 0 HD3 ARG A 55 67.992 -19.068 -0.174 1.00 1.00 H new ATOM 0 HE ARG A 55 70.676 -19.285 -1.397 1.00 1.00 H new ATOM 0 HH11 ARG A 55 67.188 -19.138 -1.826 1.00 1.00 H new ATOM 0 HH12 ARG A 55 67.294 -18.592 -3.503 1.00 1.00 H new ATOM 0 HH21 ARG A 55 70.793 -18.576 -3.535 1.00 1.00 H new ATOM 0 HH22 ARG A 55 69.320 -18.276 -4.462 1.00 1.00 H new ATOM 875 N ALA A 56 71.254 -17.494 3.648 1.00 1.00 N ATOM 876 CA ALA A 56 72.580 -16.888 3.459 1.00 1.00 C ATOM 877 C ALA A 56 72.672 -16.294 2.051 1.00 1.00 C ATOM 878 O ALA A 56 73.294 -16.869 1.158 1.00 1.00 O ATOM 879 CB ALA A 56 73.699 -17.927 3.671 1.00 1.00 C ATOM 0 H ALA A 56 70.563 -16.863 4.055 1.00 1.00 H new ATOM 0 HA ALA A 56 72.711 -16.098 4.199 1.00 1.00 H new ATOM 0 HB1 ALA A 56 74.669 -17.452 3.525 1.00 1.00 H new ATOM 0 HB2 ALA A 56 73.639 -18.325 4.684 1.00 1.00 H new ATOM 0 HB3 ALA A 56 73.582 -18.740 2.954 1.00 1.00 H new ATOM 885 N VAL A 57 72.035 -15.140 1.857 1.00 1.00 N ATOM 886 CA VAL A 57 72.044 -14.481 0.548 1.00 1.00 C ATOM 887 C VAL A 57 71.876 -15.502 -0.576 1.00 1.00 C ATOM 888 O VAL A 57 70.772 -15.990 -0.748 1.00 1.00 O ATOM 889 CB VAL A 57 73.357 -13.730 0.356 1.00 1.00 C ATOM 890 CG1 VAL A 57 73.265 -12.828 -0.878 1.00 1.00 C ATOM 891 CG2 VAL A 57 73.635 -12.878 1.593 1.00 1.00 C ATOM 892 OXT VAL A 57 72.857 -15.779 -1.248 1.00 1.00 O ATOM 0 H VAL A 57 71.511 -14.645 2.579 1.00 1.00 H new ATOM 0 HA VAL A 57 71.210 -13.781 0.513 1.00 1.00 H new ATOM 0 HB VAL A 57 74.166 -14.446 0.214 1.00 1.00 H new ATOM 0 HG11 VAL A 57 74.206 -12.294 -1.010 1.00 1.00 H new ATOM 0 HG12 VAL A 57 73.067 -13.437 -1.760 1.00 1.00 H new ATOM 0 HG13 VAL A 57 72.456 -12.110 -0.744 1.00 1.00 H new ATOM 0 HG21 VAL A 57 74.573 -12.339 1.460 1.00 1.00 H new ATOM 0 HG22 VAL A 57 72.823 -12.164 1.733 1.00 1.00 H new ATOM 0 HG23 VAL A 57 73.707 -13.522 2.470 1.00 1.00 H new TER 902 VAL A 57