USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 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 Single : A 1 CYS N :NH3+ 155:sc= 0.646 (180deg=0.257) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.222 USER MOD Single : A 2 SER OG : rot -76:sc= -0.302 USER MOD Single : A 3 LYS NZ :NH3+ 153:sc= -0.13 (180deg=-0.848) USER MOD Single : A 4 ASN : amide:sc= -0.975 K(o=-0.98,f=-0.1) USER MOD Single : A 6 LYS NZ :NH3+ -152:sc= -0.214 (180deg=-1.2!) USER MOD Single : A 8 LYS NZ :NH3+ -139:sc= -1.73 (180deg=-3.16!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00247 USER MOD Single : A 16 THR OG1 : rot 4:sc= -1.19 USER MOD Single : A 20 SER OG : rot 180:sc= -0.881 USER MOD Single : A 25 GLN : amide:sc= -3.22! C(o=-3.2!,f=-5.4!) USER MOD Single : A 26 ASN : amide:sc= -0.0437 X(o=-0.044,f=-0.044) 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= -4.48! C(o=-4.5!,f=-3.5!) 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= -1.31 K(o=-1.3,f=-2.6!) USER MOD Single : A 54 GLN : amide:sc= -0.0495 K(o=-0.05,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 43.113 -11.278 -0.217 1.00 1.00 N ATOM 2 CA CYS A 1 42.727 -11.980 -1.474 1.00 1.00 C ATOM 3 C CYS A 1 43.253 -13.411 -1.434 1.00 1.00 C ATOM 4 O CYS A 1 44.440 -13.652 -1.649 1.00 1.00 O ATOM 5 CB CYS A 1 43.322 -11.237 -2.672 1.00 1.00 C ATOM 6 SG CYS A 1 42.888 -9.483 -2.571 1.00 1.00 S ATOM 0 H1 CYS A 1 43.150 -10.253 -0.389 1.00 1.00 H new ATOM 0 H2 CYS A 1 42.410 -11.479 0.523 1.00 1.00 H new ATOM 0 H3 CYS A 1 44.048 -11.611 0.094 1.00 1.00 H new ATOM 0 HA CYS A 1 41.641 -12.000 -1.569 1.00 1.00 H new ATOM 0 HB2 CYS A 1 44.406 -11.354 -2.684 1.00 1.00 H new ATOM 0 HB3 CYS A 1 42.945 -11.663 -3.602 1.00 1.00 H new ATOM 0 HG CYS A 1 43.395 -8.851 -3.588 1.00 1.00 H new ATOM 14 N SER A 2 42.360 -14.356 -1.151 1.00 1.00 N ATOM 15 CA SER A 2 42.747 -15.762 -1.080 1.00 1.00 C ATOM 16 C SER A 2 41.521 -16.660 -1.240 1.00 1.00 C ATOM 17 O SER A 2 40.387 -16.215 -1.066 1.00 1.00 O ATOM 18 CB SER A 2 43.428 -16.038 0.273 1.00 1.00 C ATOM 19 OG SER A 2 42.853 -17.191 0.879 1.00 1.00 O ATOM 0 H SER A 2 41.373 -14.176 -0.969 1.00 1.00 H new ATOM 0 HA SER A 2 43.444 -15.981 -1.889 1.00 1.00 H new ATOM 0 HB2 SER A 2 44.498 -16.188 0.128 1.00 1.00 H new ATOM 0 HB3 SER A 2 43.314 -15.176 0.930 1.00 1.00 H new ATOM 0 HG SER A 2 41.978 -16.961 1.256 1.00 1.00 H new ATOM 25 N LYS A 3 41.762 -17.927 -1.574 1.00 1.00 N ATOM 26 CA LYS A 3 40.675 -18.889 -1.752 1.00 1.00 C ATOM 27 C LYS A 3 40.008 -19.218 -0.411 1.00 1.00 C ATOM 28 O LYS A 3 39.953 -20.375 0.002 1.00 1.00 O ATOM 29 CB LYS A 3 41.220 -20.173 -2.393 1.00 1.00 C ATOM 30 CG LYS A 3 42.620 -20.459 -1.839 1.00 1.00 C ATOM 31 CD LYS A 3 43.012 -21.908 -2.141 1.00 1.00 C ATOM 32 CE LYS A 3 43.067 -22.130 -3.655 1.00 1.00 C ATOM 33 NZ LYS A 3 43.806 -21.010 -4.302 1.00 1.00 N ATOM 0 H LYS A 3 42.695 -18.310 -1.726 1.00 1.00 H new ATOM 0 HA LYS A 3 39.925 -18.444 -2.406 1.00 1.00 H new ATOM 0 HB2 LYS A 3 40.554 -21.010 -2.182 1.00 1.00 H new ATOM 0 HB3 LYS A 3 41.260 -20.064 -3.477 1.00 1.00 H new ATOM 0 HG2 LYS A 3 43.344 -19.777 -2.285 1.00 1.00 H new ATOM 0 HG3 LYS A 3 42.638 -20.285 -0.763 1.00 1.00 H new ATOM 0 HD2 LYS A 3 43.982 -22.131 -1.697 1.00 1.00 H new ATOM 0 HD3 LYS A 3 42.291 -22.590 -1.691 1.00 1.00 H new ATOM 0 HE2 LYS A 3 43.559 -23.078 -3.875 1.00 1.00 H new ATOM 0 HE3 LYS A 3 42.057 -22.193 -4.060 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 44.237 -21.344 -5.187 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 43.147 -20.233 -4.510 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 44.551 -20.670 -3.661 1.00 1.00 H new ATOM 47 N ASN A 4 39.499 -18.186 0.250 1.00 1.00 N ATOM 48 CA ASN A 4 38.819 -18.353 1.547 1.00 1.00 C ATOM 49 C ASN A 4 39.823 -18.648 2.663 1.00 1.00 C ATOM 50 O ASN A 4 39.560 -18.377 3.833 1.00 1.00 O ATOM 51 CB ASN A 4 37.788 -19.488 1.452 1.00 1.00 C ATOM 52 CG ASN A 4 36.689 -19.299 2.497 1.00 1.00 C ATOM 53 OD1 ASN A 4 35.653 -19.961 2.434 1.00 1.00 O ATOM 54 ND2 ASN A 4 36.856 -18.432 3.459 1.00 1.00 N ATOM 0 H ASN A 4 39.539 -17.222 -0.082 1.00 1.00 H new ATOM 0 HA ASN A 4 38.310 -17.420 1.789 1.00 1.00 H new ATOM 0 HB2 ASN A 4 37.350 -19.507 0.454 1.00 1.00 H new ATOM 0 HB3 ASN A 4 38.280 -20.449 1.603 1.00 1.00 H new ATOM 0 HD21 ASN A 4 36.127 -18.302 4.161 1.00 1.00 H new ATOM 0 HD22 ASN A 4 37.715 -17.885 3.509 1.00 1.00 H new ATOM 61 N ARG A 5 40.973 -19.191 2.287 1.00 1.00 N ATOM 62 CA ARG A 5 42.023 -19.509 3.250 1.00 1.00 C ATOM 63 C ARG A 5 42.402 -18.273 4.064 1.00 1.00 C ATOM 64 O ARG A 5 43.242 -18.348 4.959 1.00 1.00 O ATOM 65 CB ARG A 5 43.259 -20.044 2.522 1.00 1.00 C ATOM 66 CG ARG A 5 42.967 -21.448 1.989 1.00 1.00 C ATOM 67 CD ARG A 5 44.203 -21.991 1.271 1.00 1.00 C ATOM 68 NE ARG A 5 43.939 -23.332 0.763 1.00 1.00 N ATOM 69 CZ ARG A 5 44.931 -24.137 0.397 1.00 1.00 C ATOM 70 NH1 ARG A 5 46.168 -23.732 0.493 1.00 1.00 N ATOM 71 NH2 ARG A 5 44.669 -25.332 -0.055 1.00 1.00 N ATOM 0 H ARG A 5 41.204 -19.421 1.321 1.00 1.00 H new ATOM 0 HA ARG A 5 41.644 -20.273 3.929 1.00 1.00 H new ATOM 0 HB2 ARG A 5 43.527 -19.380 1.700 1.00 1.00 H new ATOM 0 HB3 ARG A 5 44.111 -20.071 3.201 1.00 1.00 H new ATOM 0 HG2 ARG A 5 42.691 -22.110 2.810 1.00 1.00 H new ATOM 0 HG3 ARG A 5 42.119 -21.419 1.304 1.00 1.00 H new ATOM 0 HD2 ARG A 5 44.475 -21.329 0.449 1.00 1.00 H new ATOM 0 HD3 ARG A 5 45.050 -22.014 1.956 1.00 1.00 H new ATOM 0 HE ARG A 5 42.976 -23.658 0.687 1.00 1.00 H new ATOM 0 HH11 ARG A 5 46.373 -22.798 0.849 1.00 1.00 H new ATOM 0 HH12 ARG A 5 46.930 -24.349 0.212 1.00 1.00 H new ATOM 0 HH21 ARG A 5 43.702 -25.649 -0.128 1.00 1.00 H new ATOM 0 HH22 ARG A 5 45.431 -25.949 -0.336 1.00 1.00 H new ATOM 85 N LYS A 6 41.778 -17.141 3.739 1.00 1.00 N ATOM 86 CA LYS A 6 42.049 -15.882 4.446 1.00 1.00 C ATOM 87 C LYS A 6 43.475 -15.422 4.188 1.00 1.00 C ATOM 88 O LYS A 6 44.433 -16.115 4.532 1.00 1.00 O ATOM 89 CB LYS A 6 41.837 -16.058 5.956 1.00 1.00 C ATOM 90 CG LYS A 6 40.515 -16.799 6.206 1.00 1.00 C ATOM 91 CD LYS A 6 40.177 -16.793 7.702 1.00 1.00 C ATOM 92 CE LYS A 6 41.073 -17.782 8.462 1.00 1.00 C ATOM 93 NZ LYS A 6 40.996 -19.129 7.828 1.00 1.00 N ATOM 0 H LYS A 6 41.084 -17.066 2.995 1.00 1.00 H new ATOM 0 HA LYS A 6 41.356 -15.129 4.071 1.00 1.00 H new ATOM 0 HB2 LYS A 6 42.667 -16.618 6.387 1.00 1.00 H new ATOM 0 HB3 LYS A 6 41.819 -15.085 6.447 1.00 1.00 H new ATOM 0 HG2 LYS A 6 39.712 -16.324 5.643 1.00 1.00 H new ATOM 0 HG3 LYS A 6 40.592 -17.826 5.848 1.00 1.00 H new ATOM 0 HD2 LYS A 6 40.309 -15.789 8.106 1.00 1.00 H new ATOM 0 HD3 LYS A 6 39.130 -17.059 7.845 1.00 1.00 H new ATOM 0 HE2 LYS A 6 42.104 -17.428 8.459 1.00 1.00 H new ATOM 0 HE3 LYS A 6 40.760 -17.843 9.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 41.178 -19.861 8.544 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 40.048 -19.269 7.424 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 41.708 -19.199 7.073 1.00 1.00 H new ATOM 107 N ALA A 7 43.607 -14.244 3.582 1.00 1.00 N ATOM 108 CA ALA A 7 44.932 -13.690 3.279 1.00 1.00 C ATOM 109 C ALA A 7 45.888 -14.795 2.832 1.00 1.00 C ATOM 110 O ALA A 7 45.932 -15.154 1.656 1.00 1.00 O ATOM 111 CB ALA A 7 45.496 -12.989 4.519 1.00 1.00 C ATOM 0 H ALA A 7 42.824 -13.657 3.292 1.00 1.00 H new ATOM 0 HA ALA A 7 44.830 -12.969 2.468 1.00 1.00 H new ATOM 0 HB1 ALA A 7 46.480 -12.579 4.290 1.00 1.00 H new ATOM 0 HB2 ALA A 7 44.827 -12.182 4.816 1.00 1.00 H new ATOM 0 HB3 ALA A 7 45.583 -13.707 5.335 1.00 1.00 H new ATOM 117 N LYS A 8 46.649 -15.328 3.783 1.00 1.00 N ATOM 118 CA LYS A 8 47.604 -16.399 3.482 1.00 1.00 C ATOM 119 C LYS A 8 48.370 -16.088 2.206 1.00 1.00 C ATOM 120 O LYS A 8 47.901 -16.360 1.101 1.00 1.00 O ATOM 121 CB LYS A 8 46.876 -17.733 3.313 1.00 1.00 C ATOM 122 CG LYS A 8 47.898 -18.863 3.157 1.00 1.00 C ATOM 123 CD LYS A 8 47.168 -20.207 3.076 1.00 1.00 C ATOM 124 CE LYS A 8 48.194 -21.337 2.959 1.00 1.00 C ATOM 125 NZ LYS A 8 49.066 -21.094 1.774 1.00 1.00 N ATOM 0 H LYS A 8 46.627 -15.042 4.762 1.00 1.00 H new ATOM 0 HA LYS A 8 48.303 -16.469 4.316 1.00 1.00 H new ATOM 0 HB2 LYS A 8 46.239 -17.923 4.177 1.00 1.00 H new ATOM 0 HB3 LYS A 8 46.225 -17.695 2.439 1.00 1.00 H new ATOM 0 HG2 LYS A 8 48.494 -18.707 2.258 1.00 1.00 H new ATOM 0 HG3 LYS A 8 48.588 -18.862 4.001 1.00 1.00 H new ATOM 0 HD2 LYS A 8 46.551 -20.352 3.963 1.00 1.00 H new ATOM 0 HD3 LYS A 8 46.498 -20.218 2.216 1.00 1.00 H new ATOM 0 HE2 LYS A 8 48.799 -21.389 3.864 1.00 1.00 H new ATOM 0 HE3 LYS A 8 47.685 -22.296 2.859 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 49.234 -21.992 1.276 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 48.599 -20.424 1.131 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 49.975 -20.697 2.087 1.00 1.00 H new ATOM 139 N ALA A 9 49.552 -15.519 2.368 1.00 1.00 N ATOM 140 CA ALA A 9 50.380 -15.180 1.215 1.00 1.00 C ATOM 141 C ALA A 9 51.835 -14.971 1.626 1.00 1.00 C ATOM 142 O ALA A 9 52.540 -14.138 1.056 1.00 1.00 O ATOM 143 CB ALA A 9 49.842 -13.922 0.525 1.00 1.00 C ATOM 0 H ALA A 9 49.959 -15.283 3.273 1.00 1.00 H new ATOM 0 HA ALA A 9 50.340 -16.014 0.515 1.00 1.00 H new ATOM 0 HB1 ALA A 9 50.469 -13.681 -0.333 1.00 1.00 H new ATOM 0 HB2 ALA A 9 48.820 -14.100 0.189 1.00 1.00 H new ATOM 0 HB3 ALA A 9 49.853 -13.089 1.228 1.00 1.00 H new ATOM 149 N LYS A 10 52.281 -15.748 2.606 1.00 1.00 N ATOM 150 CA LYS A 10 53.665 -15.658 3.073 1.00 1.00 C ATOM 151 C LYS A 10 54.606 -16.462 2.162 1.00 1.00 C ATOM 152 O LYS A 10 55.756 -16.073 1.967 1.00 1.00 O ATOM 153 CB LYS A 10 53.791 -16.155 4.529 1.00 1.00 C ATOM 154 CG LYS A 10 52.605 -15.635 5.389 1.00 1.00 C ATOM 155 CD LYS A 10 51.513 -16.716 5.531 1.00 1.00 C ATOM 156 CE LYS A 10 51.931 -17.798 6.540 1.00 1.00 C ATOM 157 NZ LYS A 10 50.706 -18.465 7.076 1.00 1.00 N ATOM 0 H LYS A 10 51.713 -16.442 3.091 1.00 1.00 H new ATOM 0 HA LYS A 10 53.957 -14.608 3.037 1.00 1.00 H new ATOM 0 HB2 LYS A 10 53.810 -17.245 4.547 1.00 1.00 H new ATOM 0 HB3 LYS A 10 54.734 -15.813 4.955 1.00 1.00 H new ATOM 0 HG2 LYS A 10 52.966 -15.345 6.376 1.00 1.00 H new ATOM 0 HG3 LYS A 10 52.181 -14.742 4.929 1.00 1.00 H new ATOM 0 HD2 LYS A 10 50.580 -16.254 5.854 1.00 1.00 H new ATOM 0 HD3 LYS A 10 51.322 -17.174 4.560 1.00 1.00 H new ATOM 0 HE2 LYS A 10 52.578 -18.531 6.059 1.00 1.00 H new ATOM 0 HE3 LYS A 10 52.503 -17.353 7.354 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 50.981 -19.199 7.760 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 50.105 -17.760 7.548 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 50.178 -18.902 6.294 1.00 1.00 H new ATOM 171 N PRO A 11 54.161 -17.564 1.596 1.00 1.00 N ATOM 172 CA PRO A 11 55.014 -18.387 0.703 1.00 1.00 C ATOM 173 C PRO A 11 54.976 -17.899 -0.742 1.00 1.00 C ATOM 174 O PRO A 11 54.187 -18.379 -1.558 1.00 1.00 O ATOM 175 CB PRO A 11 54.420 -19.791 0.837 1.00 1.00 C ATOM 176 CG PRO A 11 52.970 -19.592 1.207 1.00 1.00 C ATOM 177 CD PRO A 11 52.817 -18.150 1.732 1.00 1.00 C ATOM 0 HA PRO A 11 56.068 -18.341 0.978 1.00 1.00 H new ATOM 0 HB2 PRO A 11 54.512 -20.345 -0.097 1.00 1.00 H new ATOM 0 HB3 PRO A 11 54.943 -20.365 1.602 1.00 1.00 H new ATOM 0 HG2 PRO A 11 52.328 -19.755 0.341 1.00 1.00 H new ATOM 0 HG3 PRO A 11 52.667 -20.311 1.968 1.00 1.00 H new ATOM 0 HD2 PRO A 11 52.081 -17.593 1.153 1.00 1.00 H new ATOM 0 HD3 PRO A 11 52.482 -18.139 2.769 1.00 1.00 H new ATOM 185 N VAL A 12 55.837 -16.944 -1.040 1.00 1.00 N ATOM 186 CA VAL A 12 55.909 -16.384 -2.386 1.00 1.00 C ATOM 187 C VAL A 12 56.527 -17.373 -3.359 1.00 1.00 C ATOM 188 O VAL A 12 56.267 -17.325 -4.562 1.00 1.00 O ATOM 189 CB VAL A 12 56.724 -15.090 -2.394 1.00 1.00 C ATOM 190 CG1 VAL A 12 56.600 -14.426 -3.765 1.00 1.00 C ATOM 191 CG2 VAL A 12 56.186 -14.147 -1.317 1.00 1.00 C ATOM 0 H VAL A 12 56.495 -16.538 -0.375 1.00 1.00 H new ATOM 0 HA VAL A 12 54.889 -16.168 -2.703 1.00 1.00 H new ATOM 0 HB VAL A 12 57.772 -15.312 -2.191 1.00 1.00 H new ATOM 0 HG11 VAL A 12 57.179 -13.503 -3.776 1.00 1.00 H new ATOM 0 HG12 VAL A 12 56.979 -15.101 -4.532 1.00 1.00 H new ATOM 0 HG13 VAL A 12 55.553 -14.200 -3.966 1.00 1.00 H new ATOM 0 HG21 VAL A 12 56.765 -13.223 -1.320 1.00 1.00 H new ATOM 0 HG22 VAL A 12 55.140 -13.920 -1.522 1.00 1.00 H new ATOM 0 HG23 VAL A 12 56.269 -14.624 -0.341 1.00 1.00 H new ATOM 201 N THR A 13 57.342 -18.266 -2.835 1.00 1.00 N ATOM 202 CA THR A 13 57.990 -19.259 -3.668 1.00 1.00 C ATOM 203 C THR A 13 56.940 -20.175 -4.266 1.00 1.00 C ATOM 204 O THR A 13 57.101 -20.687 -5.373 1.00 1.00 O ATOM 205 CB THR A 13 58.994 -20.070 -2.841 1.00 1.00 C ATOM 206 OG1 THR A 13 59.730 -19.187 -2.008 1.00 1.00 O ATOM 207 CG2 THR A 13 59.960 -20.806 -3.771 1.00 1.00 C ATOM 0 H THR A 13 57.570 -18.325 -1.843 1.00 1.00 H new ATOM 0 HA THR A 13 58.531 -18.759 -4.472 1.00 1.00 H new ATOM 0 HB THR A 13 58.457 -20.797 -2.232 1.00 1.00 H new ATOM 0 HG1 THR A 13 60.373 -19.700 -1.475 1.00 1.00 H new ATOM 0 HG21 THR A 13 60.671 -21.380 -3.177 1.00 1.00 H new ATOM 0 HG22 THR A 13 59.399 -21.481 -4.418 1.00 1.00 H new ATOM 0 HG23 THR A 13 60.499 -20.082 -4.382 1.00 1.00 H new ATOM 215 N ARG A 14 55.863 -20.387 -3.517 1.00 1.00 N ATOM 216 CA ARG A 14 54.786 -21.266 -3.991 1.00 1.00 C ATOM 217 C ARG A 14 53.752 -20.504 -4.837 1.00 1.00 C ATOM 218 O ARG A 14 53.051 -21.122 -5.639 1.00 1.00 O ATOM 219 CB ARG A 14 54.091 -21.961 -2.808 1.00 1.00 C ATOM 220 CG ARG A 14 55.140 -22.635 -1.917 1.00 1.00 C ATOM 221 CD ARG A 14 54.431 -23.552 -0.919 1.00 1.00 C ATOM 222 NE ARG A 14 53.500 -22.780 -0.099 1.00 1.00 N ATOM 223 CZ ARG A 14 52.198 -22.709 -0.388 1.00 1.00 C ATOM 224 NH1 ARG A 14 51.719 -23.299 -1.451 1.00 1.00 N ATOM 225 NH2 ARG A 14 51.398 -22.039 0.392 1.00 1.00 N ATOM 0 H ARG A 14 55.708 -19.974 -2.597 1.00 1.00 H new ATOM 0 HA ARG A 14 55.246 -22.021 -4.628 1.00 1.00 H new ATOM 0 HB2 ARG A 14 53.522 -21.233 -2.230 1.00 1.00 H new ATOM 0 HB3 ARG A 14 53.381 -22.702 -3.175 1.00 1.00 H new ATOM 0 HG2 ARG A 14 55.838 -23.210 -2.526 1.00 1.00 H new ATOM 0 HG3 ARG A 14 55.724 -21.882 -1.387 1.00 1.00 H new ATOM 0 HD2 ARG A 14 53.893 -24.336 -1.452 1.00 1.00 H new ATOM 0 HD3 ARG A 14 55.165 -24.046 -0.282 1.00 1.00 H new ATOM 0 HE ARG A 14 53.854 -22.281 0.717 1.00 1.00 H new ATOM 0 HH11 ARG A 14 52.341 -23.820 -2.069 1.00 1.00 H new ATOM 0 HH12 ARG A 14 50.723 -23.239 -1.663 1.00 1.00 H new ATOM 0 HH21 ARG A 14 51.767 -21.571 1.220 1.00 1.00 H new ATOM 0 HH22 ARG A 14 50.403 -21.982 0.175 1.00 1.00 H new ATOM 239 N GLY A 15 53.656 -19.169 -4.671 1.00 1.00 N ATOM 240 CA GLY A 15 52.693 -18.369 -5.444 1.00 1.00 C ATOM 241 C GLY A 15 51.391 -19.131 -5.656 1.00 1.00 C ATOM 242 O GLY A 15 50.674 -18.906 -6.630 1.00 1.00 O ATOM 0 H GLY A 15 54.226 -18.631 -4.018 1.00 1.00 H new ATOM 0 HA2 GLY A 15 52.490 -17.434 -4.921 1.00 1.00 H new ATOM 0 HA3 GLY A 15 53.126 -18.107 -6.409 1.00 1.00 H new ATOM 246 N THR A 16 51.109 -20.048 -4.742 1.00 1.00 N ATOM 247 CA THR A 16 49.893 -20.857 -4.835 1.00 1.00 C ATOM 248 C THR A 16 48.664 -20.002 -4.577 1.00 1.00 C ATOM 249 O THR A 16 47.563 -20.345 -5.008 1.00 1.00 O ATOM 250 CB THR A 16 49.922 -22.019 -3.832 1.00 1.00 C ATOM 251 OG1 THR A 16 51.143 -22.738 -3.963 1.00 1.00 O ATOM 252 CG2 THR A 16 48.745 -22.960 -4.121 1.00 1.00 C ATOM 0 H THR A 16 51.696 -20.253 -3.934 1.00 1.00 H new ATOM 0 HA THR A 16 49.847 -21.265 -5.845 1.00 1.00 H new ATOM 0 HB THR A 16 49.844 -21.626 -2.818 1.00 1.00 H new ATOM 0 HG1 THR A 16 51.716 -22.293 -4.622 1.00 1.00 H new ATOM 0 HG21 THR A 16 48.759 -23.788 -3.412 1.00 1.00 H new ATOM 0 HG22 THR A 16 47.808 -22.412 -4.021 1.00 1.00 H new ATOM 0 HG23 THR A 16 48.831 -23.349 -5.136 1.00 1.00 H new ATOM 260 N GLY A 17 48.858 -18.890 -3.863 1.00 1.00 N ATOM 261 CA GLY A 17 47.751 -17.982 -3.541 1.00 1.00 C ATOM 262 C GLY A 17 46.733 -17.928 -4.670 1.00 1.00 C ATOM 263 O GLY A 17 45.542 -17.741 -4.424 1.00 1.00 O ATOM 0 H GLY A 17 49.764 -18.597 -3.498 1.00 1.00 H new ATOM 0 HA2 GLY A 17 47.263 -18.312 -2.624 1.00 1.00 H new ATOM 0 HA3 GLY A 17 48.141 -16.982 -3.353 1.00 1.00 H new ATOM 267 N ALA A 18 47.213 -18.108 -5.908 1.00 1.00 N ATOM 268 CA ALA A 18 46.343 -18.090 -7.084 1.00 1.00 C ATOM 269 C ALA A 18 47.153 -17.741 -8.344 1.00 1.00 C ATOM 270 O ALA A 18 46.801 -16.832 -9.095 1.00 1.00 O ATOM 271 CB ALA A 18 45.202 -17.067 -6.895 1.00 1.00 C ATOM 0 H ALA A 18 48.198 -18.267 -6.117 1.00 1.00 H new ATOM 0 HA ALA A 18 45.910 -19.083 -7.205 1.00 1.00 H new ATOM 0 HB1 ALA A 18 44.564 -17.066 -7.779 1.00 1.00 H new ATOM 0 HB2 ALA A 18 44.611 -17.339 -6.021 1.00 1.00 H new ATOM 0 HB3 ALA A 18 45.625 -16.073 -6.752 1.00 1.00 H new ATOM 277 N GLY A 19 48.238 -18.467 -8.571 1.00 1.00 N ATOM 278 CA GLY A 19 49.074 -18.215 -9.750 1.00 1.00 C ATOM 279 C GLY A 19 48.318 -18.536 -11.037 1.00 1.00 C ATOM 280 O GLY A 19 48.451 -17.831 -12.039 1.00 1.00 O ATOM 0 H GLY A 19 48.562 -19.224 -7.969 1.00 1.00 H new ATOM 0 HA2 GLY A 19 49.389 -17.172 -9.760 1.00 1.00 H new ATOM 0 HA3 GLY A 19 49.978 -18.821 -9.695 1.00 1.00 H new ATOM 284 N SER A 20 47.535 -19.613 -11.008 1.00 1.00 N ATOM 285 CA SER A 20 46.776 -20.025 -12.195 1.00 1.00 C ATOM 286 C SER A 20 45.801 -18.944 -12.628 1.00 1.00 C ATOM 287 O SER A 20 45.828 -18.497 -13.772 1.00 1.00 O ATOM 288 CB SER A 20 46.013 -21.337 -11.940 1.00 1.00 C ATOM 289 OG SER A 20 45.026 -21.504 -12.950 1.00 1.00 O ATOM 0 H SER A 20 47.408 -20.210 -10.191 1.00 1.00 H new ATOM 0 HA SER A 20 47.497 -20.188 -12.996 1.00 1.00 H new ATOM 0 HB2 SER A 20 46.703 -22.181 -11.945 1.00 1.00 H new ATOM 0 HB3 SER A 20 45.544 -21.315 -10.956 1.00 1.00 H new ATOM 0 HG SER A 20 44.537 -22.339 -12.795 1.00 1.00 H new ATOM 295 N ARG A 21 44.964 -18.502 -11.705 1.00 1.00 N ATOM 296 CA ARG A 21 43.996 -17.447 -12.012 1.00 1.00 C ATOM 297 C ARG A 21 43.631 -16.677 -10.742 1.00 1.00 C ATOM 298 O ARG A 21 43.670 -17.236 -9.653 1.00 1.00 O ATOM 299 CB ARG A 21 42.714 -18.050 -12.629 1.00 1.00 C ATOM 300 CG ARG A 21 42.897 -18.325 -14.157 1.00 1.00 C ATOM 301 CD ARG A 21 43.192 -19.815 -14.449 1.00 1.00 C ATOM 302 NE ARG A 21 42.563 -20.202 -15.706 1.00 1.00 N ATOM 303 CZ ARG A 21 41.239 -20.216 -15.837 1.00 1.00 C ATOM 304 NH1 ARG A 21 40.485 -19.866 -14.830 1.00 1.00 N ATOM 305 NH2 ARG A 21 40.696 -20.565 -16.972 1.00 1.00 N ATOM 0 H ARG A 21 44.929 -18.848 -10.746 1.00 1.00 H new ATOM 0 HA ARG A 21 44.453 -16.766 -12.730 1.00 1.00 H new ATOM 0 HB2 ARG A 21 42.463 -18.979 -12.117 1.00 1.00 H new ATOM 0 HB3 ARG A 21 41.878 -17.367 -12.477 1.00 1.00 H new ATOM 0 HG2 ARG A 21 41.995 -18.023 -14.690 1.00 1.00 H new ATOM 0 HG3 ARG A 21 43.713 -17.713 -14.540 1.00 1.00 H new ATOM 0 HD2 ARG A 21 44.268 -19.979 -14.504 1.00 1.00 H new ATOM 0 HD3 ARG A 21 42.816 -20.436 -13.636 1.00 1.00 H new ATOM 0 HE ARG A 21 43.148 -20.467 -16.499 1.00 1.00 H new ATOM 0 HH11 ARG A 21 40.911 -19.583 -13.948 1.00 1.00 H new ATOM 0 HH12 ARG A 21 39.470 -19.875 -14.926 1.00 1.00 H new ATOM 0 HH21 ARG A 21 41.287 -20.828 -17.761 1.00 1.00 H new ATOM 0 HH22 ARG A 21 39.681 -20.575 -17.070 1.00 1.00 H new ATOM 319 N PRO A 22 43.260 -15.418 -10.859 1.00 1.00 N ATOM 320 CA PRO A 22 42.876 -14.589 -9.678 1.00 1.00 C ATOM 321 C PRO A 22 41.982 -15.335 -8.693 1.00 1.00 C ATOM 322 O PRO A 22 42.275 -15.368 -7.502 1.00 1.00 O ATOM 323 CB PRO A 22 42.126 -13.402 -10.301 1.00 1.00 C ATOM 324 CG PRO A 22 42.680 -13.257 -11.688 1.00 1.00 C ATOM 325 CD PRO A 22 43.176 -14.645 -12.120 1.00 1.00 C ATOM 0 HA PRO A 22 43.747 -14.299 -9.091 1.00 1.00 H new ATOM 0 HB2 PRO A 22 41.052 -13.586 -10.325 1.00 1.00 H new ATOM 0 HB3 PRO A 22 42.280 -12.493 -9.720 1.00 1.00 H new ATOM 0 HG2 PRO A 22 41.915 -12.890 -12.373 1.00 1.00 H new ATOM 0 HG3 PRO A 22 43.495 -12.534 -11.704 1.00 1.00 H new ATOM 0 HD2 PRO A 22 42.488 -15.110 -12.826 1.00 1.00 H new ATOM 0 HD3 PRO A 22 44.146 -14.584 -12.614 1.00 1.00 H new ATOM 333 N ARG A 23 40.904 -15.921 -9.217 1.00 1.00 N ATOM 334 CA ARG A 23 39.927 -16.682 -8.414 1.00 1.00 C ATOM 335 C ARG A 23 38.546 -16.651 -9.080 1.00 1.00 C ATOM 336 O ARG A 23 38.055 -15.590 -9.466 1.00 1.00 O ATOM 337 CB ARG A 23 39.847 -16.124 -6.976 1.00 1.00 C ATOM 338 CG ARG A 23 38.568 -16.576 -6.268 1.00 1.00 C ATOM 339 CD ARG A 23 38.676 -16.219 -4.784 1.00 1.00 C ATOM 340 NE ARG A 23 37.404 -16.456 -4.112 1.00 1.00 N ATOM 341 CZ ARG A 23 36.478 -15.503 -4.050 1.00 1.00 C ATOM 342 NH1 ARG A 23 36.702 -14.336 -4.593 1.00 1.00 N ATOM 343 NH2 ARG A 23 35.348 -15.733 -3.446 1.00 1.00 N ATOM 0 H ARG A 23 40.678 -15.885 -10.211 1.00 1.00 H new ATOM 0 HA ARG A 23 40.262 -17.718 -8.359 1.00 1.00 H new ATOM 0 HB2 ARG A 23 40.715 -16.456 -6.407 1.00 1.00 H new ATOM 0 HB3 ARG A 23 39.882 -15.035 -7.005 1.00 1.00 H new ATOM 0 HG2 ARG A 23 37.699 -16.090 -6.711 1.00 1.00 H new ATOM 0 HG3 ARG A 23 38.429 -17.650 -6.389 1.00 1.00 H new ATOM 0 HD2 ARG A 23 39.459 -16.815 -4.316 1.00 1.00 H new ATOM 0 HD3 ARG A 23 38.963 -15.173 -4.675 1.00 1.00 H new ATOM 0 HE ARG A 23 37.222 -17.364 -3.684 1.00 1.00 H new ATOM 0 HH11 ARG A 23 37.588 -14.155 -5.065 1.00 1.00 H new ATOM 0 HH12 ARG A 23 35.991 -13.606 -4.545 1.00 1.00 H new ATOM 0 HH21 ARG A 23 35.173 -16.643 -3.021 1.00 1.00 H new ATOM 0 HH22 ARG A 23 34.637 -15.003 -3.398 1.00 1.00 H new ATOM 357 N GLY A 24 37.924 -17.826 -9.200 1.00 1.00 N ATOM 358 CA GLY A 24 36.591 -17.930 -9.810 1.00 1.00 C ATOM 359 C GLY A 24 35.501 -17.767 -8.756 1.00 1.00 C ATOM 360 O GLY A 24 35.233 -16.659 -8.292 1.00 1.00 O ATOM 0 H GLY A 24 38.316 -18.714 -8.886 1.00 1.00 H new ATOM 0 HA2 GLY A 24 36.477 -17.166 -10.579 1.00 1.00 H new ATOM 0 HA3 GLY A 24 36.486 -18.897 -10.303 1.00 1.00 H new ATOM 364 N GLN A 25 34.877 -18.881 -8.383 1.00 1.00 N ATOM 365 CA GLN A 25 33.811 -18.855 -7.377 1.00 1.00 C ATOM 366 C GLN A 25 32.674 -17.952 -7.834 1.00 1.00 C ATOM 367 O GLN A 25 32.537 -16.820 -7.371 1.00 1.00 O ATOM 368 CB GLN A 25 34.352 -18.344 -6.044 1.00 1.00 C ATOM 369 CG GLN A 25 33.302 -18.558 -4.952 1.00 1.00 C ATOM 370 CD GLN A 25 33.828 -18.049 -3.615 1.00 1.00 C ATOM 371 OE1 GLN A 25 34.929 -18.414 -3.202 1.00 1.00 O ATOM 372 NE2 GLN A 25 33.104 -17.225 -2.909 1.00 1.00 N ATOM 0 H GLN A 25 35.086 -19.807 -8.756 1.00 1.00 H new ATOM 0 HA GLN A 25 33.437 -19.871 -7.250 1.00 1.00 H new ATOM 0 HB2 GLN A 25 35.272 -18.870 -5.787 1.00 1.00 H new ATOM 0 HB3 GLN A 25 34.601 -17.286 -6.122 1.00 1.00 H new ATOM 0 HG2 GLN A 25 32.382 -18.035 -5.213 1.00 1.00 H new ATOM 0 HG3 GLN A 25 33.056 -19.617 -4.876 1.00 1.00 H new ATOM 0 HE21 GLN A 25 32.192 -16.924 -3.253 1.00 1.00 H new ATOM 0 HE22 GLN A 25 33.450 -16.882 -2.013 1.00 1.00 H new ATOM 381 N ASN A 26 31.860 -18.469 -8.747 1.00 1.00 N ATOM 382 CA ASN A 26 30.719 -17.717 -9.279 1.00 1.00 C ATOM 383 C ASN A 26 29.507 -18.631 -9.455 1.00 1.00 C ATOM 384 O ASN A 26 29.168 -19.018 -10.573 1.00 1.00 O ATOM 385 CB ASN A 26 31.083 -17.092 -10.628 1.00 1.00 C ATOM 386 CG ASN A 26 29.941 -16.204 -11.109 1.00 1.00 C ATOM 387 OD1 ASN A 26 29.306 -16.502 -12.121 1.00 1.00 O ATOM 388 ND2 ASN A 26 29.638 -15.127 -10.439 1.00 1.00 N ATOM 0 H ASN A 26 31.965 -19.406 -9.137 1.00 1.00 H new ATOM 0 HA ASN A 26 30.469 -16.929 -8.568 1.00 1.00 H new ATOM 0 HB2 ASN A 26 31.997 -16.506 -10.533 1.00 1.00 H new ATOM 0 HB3 ASN A 26 31.281 -17.875 -11.360 1.00 1.00 H new ATOM 0 HD21 ASN A 26 28.873 -14.529 -10.753 1.00 1.00 H new ATOM 0 HD22 ASN A 26 30.166 -14.882 -9.601 1.00 1.00 H new ATOM 395 N LYS A 27 28.856 -18.969 -8.342 1.00 1.00 N ATOM 396 CA LYS A 27 27.676 -19.837 -8.373 1.00 1.00 C ATOM 397 C LYS A 27 26.403 -18.995 -8.455 1.00 1.00 C ATOM 398 O LYS A 27 25.374 -19.346 -7.879 1.00 1.00 O ATOM 399 CB LYS A 27 27.638 -20.713 -7.107 1.00 1.00 C ATOM 400 CG LYS A 27 29.072 -21.162 -6.721 1.00 1.00 C ATOM 401 CD LYS A 27 29.644 -20.244 -5.622 1.00 1.00 C ATOM 402 CE LYS A 27 29.158 -20.703 -4.241 1.00 1.00 C ATOM 403 NZ LYS A 27 29.351 -19.601 -3.253 1.00 1.00 N ATOM 0 H LYS A 27 29.124 -18.656 -7.409 1.00 1.00 H new ATOM 0 HA LYS A 27 27.734 -20.477 -9.253 1.00 1.00 H new ATOM 0 HB2 LYS A 27 27.190 -20.156 -6.284 1.00 1.00 H new ATOM 0 HB3 LYS A 27 27.010 -21.587 -7.280 1.00 1.00 H new ATOM 0 HG2 LYS A 27 29.055 -22.194 -6.370 1.00 1.00 H new ATOM 0 HG3 LYS A 27 29.717 -21.135 -7.599 1.00 1.00 H new ATOM 0 HD2 LYS A 27 30.733 -20.260 -5.656 1.00 1.00 H new ATOM 0 HD3 LYS A 27 29.334 -19.214 -5.801 1.00 1.00 H new ATOM 0 HE2 LYS A 27 28.106 -20.983 -4.289 1.00 1.00 H new ATOM 0 HE3 LYS A 27 29.709 -21.589 -3.926 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 29.022 -19.912 -2.317 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 30.360 -19.355 -3.201 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 28.806 -18.767 -3.552 1.00 1.00 H new ATOM 417 N GLU A 28 26.483 -17.887 -9.180 1.00 1.00 N ATOM 418 CA GLU A 28 25.335 -17.000 -9.339 1.00 1.00 C ATOM 419 C GLU A 28 24.698 -16.703 -7.989 1.00 1.00 C ATOM 420 O GLU A 28 23.492 -16.478 -7.896 1.00 1.00 O ATOM 421 CB GLU A 28 24.313 -17.671 -10.245 1.00 1.00 C ATOM 422 CG GLU A 28 24.958 -17.932 -11.602 1.00 1.00 C ATOM 423 CD GLU A 28 23.967 -18.641 -12.518 1.00 1.00 C ATOM 424 OE1 GLU A 28 22.898 -18.990 -12.043 1.00 1.00 O ATOM 425 OE2 GLU A 28 24.286 -18.816 -13.682 1.00 1.00 O ATOM 0 H GLU A 28 27.326 -17.581 -9.666 1.00 1.00 H new ATOM 0 HA GLU A 28 25.669 -16.061 -9.780 1.00 1.00 H new ATOM 0 HB2 GLU A 28 23.973 -18.607 -9.802 1.00 1.00 H new ATOM 0 HB3 GLU A 28 23.435 -17.035 -10.360 1.00 1.00 H new ATOM 0 HG2 GLU A 28 25.273 -16.991 -12.052 1.00 1.00 H new ATOM 0 HG3 GLU A 28 25.853 -18.542 -11.478 1.00 1.00 H new ATOM 432 N ARG A 29 25.516 -16.716 -6.938 1.00 1.00 N ATOM 433 CA ARG A 29 25.017 -16.460 -5.587 1.00 1.00 C ATOM 434 C ARG A 29 24.996 -14.951 -5.287 1.00 1.00 C ATOM 435 O ARG A 29 25.829 -14.204 -5.800 1.00 1.00 O ATOM 436 CB ARG A 29 25.906 -17.186 -4.565 1.00 1.00 C ATOM 437 CG ARG A 29 25.583 -18.695 -4.555 1.00 1.00 C ATOM 438 CD ARG A 29 24.425 -18.986 -3.593 1.00 1.00 C ATOM 439 NE ARG A 29 24.780 -18.581 -2.239 1.00 1.00 N ATOM 440 CZ ARG A 29 23.868 -18.536 -1.274 1.00 1.00 C ATOM 441 NH1 ARG A 29 22.627 -18.849 -1.531 1.00 1.00 N ATOM 442 NH2 ARG A 29 24.214 -18.175 -0.068 1.00 1.00 N ATOM 0 H ARG A 29 26.518 -16.899 -6.994 1.00 1.00 H new ATOM 0 HA ARG A 29 23.996 -16.836 -5.515 1.00 1.00 H new ATOM 0 HB2 ARG A 29 26.956 -17.033 -4.812 1.00 1.00 H new ATOM 0 HB3 ARG A 29 25.748 -16.766 -3.572 1.00 1.00 H new ATOM 0 HG2 ARG A 29 25.321 -19.024 -5.560 1.00 1.00 H new ATOM 0 HG3 ARG A 29 26.465 -19.260 -4.254 1.00 1.00 H new ATOM 0 HD2 ARG A 29 23.531 -18.453 -3.917 1.00 1.00 H new ATOM 0 HD3 ARG A 29 24.186 -20.049 -3.611 1.00 1.00 H new ATOM 0 HE ARG A 29 25.745 -18.328 -2.028 1.00 1.00 H new ATOM 0 HH11 ARG A 29 22.356 -19.129 -2.474 1.00 1.00 H new ATOM 0 HH12 ARG A 29 21.928 -18.814 -0.789 1.00 1.00 H new ATOM 0 HH21 ARG A 29 25.183 -17.928 0.132 1.00 1.00 H new ATOM 0 HH22 ARG A 29 23.515 -18.140 0.674 1.00 1.00 H new ATOM 456 N PRO A 30 24.068 -14.492 -4.471 1.00 1.00 N ATOM 457 CA PRO A 30 23.951 -13.049 -4.112 1.00 1.00 C ATOM 458 C PRO A 30 25.323 -12.373 -3.983 1.00 1.00 C ATOM 459 O PRO A 30 26.329 -13.047 -3.770 1.00 1.00 O ATOM 460 CB PRO A 30 23.216 -13.079 -2.764 1.00 1.00 C ATOM 461 CG PRO A 30 22.392 -14.339 -2.778 1.00 1.00 C ATOM 462 CD PRO A 30 23.032 -15.297 -3.803 1.00 1.00 C ATOM 0 HA PRO A 30 23.429 -12.471 -4.875 1.00 1.00 H new ATOM 0 HB2 PRO A 30 23.922 -13.082 -1.933 1.00 1.00 H new ATOM 0 HB3 PRO A 30 22.584 -12.199 -2.643 1.00 1.00 H new ATOM 0 HG2 PRO A 30 22.371 -14.795 -1.788 1.00 1.00 H new ATOM 0 HG3 PRO A 30 21.360 -14.120 -3.050 1.00 1.00 H new ATOM 0 HD2 PRO A 30 23.463 -16.170 -3.313 1.00 1.00 H new ATOM 0 HD3 PRO A 30 22.294 -15.664 -4.517 1.00 1.00 H new ATOM 470 N PRO A 31 25.383 -11.065 -4.097 1.00 1.00 N ATOM 471 CA PRO A 31 26.663 -10.310 -3.980 1.00 1.00 C ATOM 472 C PRO A 31 27.576 -10.864 -2.871 1.00 1.00 C ATOM 473 O PRO A 31 27.081 -11.411 -1.886 1.00 1.00 O ATOM 474 CB PRO A 31 26.200 -8.892 -3.633 1.00 1.00 C ATOM 475 CG PRO A 31 24.843 -8.748 -4.259 1.00 1.00 C ATOM 476 CD PRO A 31 24.241 -10.162 -4.354 1.00 1.00 C ATOM 0 HA PRO A 31 27.259 -10.372 -4.891 1.00 1.00 H new ATOM 0 HB2 PRO A 31 26.151 -8.748 -2.554 1.00 1.00 H new ATOM 0 HB3 PRO A 31 26.893 -8.147 -4.023 1.00 1.00 H new ATOM 0 HG2 PRO A 31 24.208 -8.098 -3.658 1.00 1.00 H new ATOM 0 HG3 PRO A 31 24.920 -8.294 -5.247 1.00 1.00 H new ATOM 0 HD2 PRO A 31 23.447 -10.306 -3.621 1.00 1.00 H new ATOM 0 HD3 PRO A 31 23.804 -10.343 -5.336 1.00 1.00 H new ATOM 484 N PRO A 32 28.881 -10.716 -2.988 1.00 1.00 N ATOM 485 CA PRO A 32 29.829 -11.193 -1.936 1.00 1.00 C ATOM 486 C PRO A 32 29.391 -10.784 -0.525 1.00 1.00 C ATOM 487 O PRO A 32 29.347 -9.595 -0.204 1.00 1.00 O ATOM 488 CB PRO A 32 31.155 -10.500 -2.302 1.00 1.00 C ATOM 489 CG PRO A 32 31.080 -10.236 -3.773 1.00 1.00 C ATOM 490 CD PRO A 32 29.592 -10.100 -4.127 1.00 1.00 C ATOM 0 HA PRO A 32 29.891 -12.281 -1.914 1.00 1.00 H new ATOM 0 HB2 PRO A 32 31.279 -9.572 -1.743 1.00 1.00 H new ATOM 0 HB3 PRO A 32 32.008 -11.134 -2.061 1.00 1.00 H new ATOM 0 HG2 PRO A 32 31.623 -9.326 -4.030 1.00 1.00 H new ATOM 0 HG3 PRO A 32 31.538 -11.050 -4.335 1.00 1.00 H new ATOM 0 HD2 PRO A 32 29.308 -9.055 -4.253 1.00 1.00 H new ATOM 0 HD3 PRO A 32 29.359 -10.609 -5.062 1.00 1.00 H new ATOM 498 N VAL A 33 29.098 -11.771 0.315 1.00 1.00 N ATOM 499 CA VAL A 33 28.699 -11.511 1.689 1.00 1.00 C ATOM 500 C VAL A 33 29.067 -12.694 2.580 1.00 1.00 C ATOM 501 O VAL A 33 28.281 -13.107 3.435 1.00 1.00 O ATOM 502 CB VAL A 33 27.194 -11.271 1.770 1.00 1.00 C ATOM 503 CG1 VAL A 33 26.840 -9.947 1.087 1.00 1.00 C ATOM 504 CG2 VAL A 33 26.448 -12.425 1.092 1.00 1.00 C ATOM 0 H VAL A 33 29.130 -12.759 0.065 1.00 1.00 H new ATOM 0 HA VAL A 33 29.225 -10.620 2.033 1.00 1.00 H new ATOM 0 HB VAL A 33 26.896 -11.220 2.817 1.00 1.00 H new ATOM 0 HG11 VAL A 33 25.764 -9.782 1.149 1.00 1.00 H new ATOM 0 HG12 VAL A 33 27.362 -9.130 1.585 1.00 1.00 H new ATOM 0 HG13 VAL A 33 27.142 -9.985 0.040 1.00 1.00 H new ATOM 0 HG21 VAL A 33 25.374 -12.249 1.152 1.00 1.00 H new ATOM 0 HG22 VAL A 33 26.747 -12.487 0.046 1.00 1.00 H new ATOM 0 HG23 VAL A 33 26.691 -13.361 1.595 1.00 1.00 H new ATOM 514 N PRO A 34 30.240 -13.243 2.404 1.00 1.00 N ATOM 515 CA PRO A 34 30.715 -14.401 3.217 1.00 1.00 C ATOM 516 C PRO A 34 30.798 -14.056 4.704 1.00 1.00 C ATOM 517 O PRO A 34 31.158 -12.939 5.072 1.00 1.00 O ATOM 518 CB PRO A 34 32.110 -14.716 2.634 1.00 1.00 C ATOM 519 CG PRO A 34 32.529 -13.464 1.928 1.00 1.00 C ATOM 520 CD PRO A 34 31.246 -12.824 1.415 1.00 1.00 C ATOM 0 HA PRO A 34 30.034 -15.250 3.163 1.00 1.00 H new ATOM 0 HB2 PRO A 34 32.816 -14.980 3.421 1.00 1.00 H new ATOM 0 HB3 PRO A 34 32.069 -15.561 1.947 1.00 1.00 H new ATOM 0 HG2 PRO A 34 33.057 -12.792 2.605 1.00 1.00 H new ATOM 0 HG3 PRO A 34 33.209 -13.688 1.106 1.00 1.00 H new ATOM 0 HD2 PRO A 34 31.331 -11.739 1.363 1.00 1.00 H new ATOM 0 HD3 PRO A 34 30.995 -13.173 0.413 1.00 1.00 H new ATOM 528 N ASN A 35 30.463 -15.027 5.549 1.00 1.00 N ATOM 529 CA ASN A 35 30.507 -14.830 7.000 1.00 1.00 C ATOM 530 C ASN A 35 31.885 -15.228 7.552 1.00 1.00 C ATOM 531 O ASN A 35 32.434 -14.548 8.418 1.00 1.00 O ATOM 532 CB ASN A 35 29.405 -15.678 7.680 1.00 1.00 C ATOM 533 CG ASN A 35 28.592 -14.839 8.672 1.00 1.00 C ATOM 534 OD1 ASN A 35 28.707 -15.023 9.884 1.00 1.00 O ATOM 535 ND2 ASN A 35 27.774 -13.926 8.224 1.00 1.00 N ATOM 0 H ASN A 35 30.159 -15.956 5.258 1.00 1.00 H new ATOM 0 HA ASN A 35 30.334 -13.776 7.215 1.00 1.00 H new ATOM 0 HB2 ASN A 35 28.741 -16.093 6.921 1.00 1.00 H new ATOM 0 HB3 ASN A 35 29.860 -16.521 8.200 1.00 1.00 H new ATOM 0 HD21 ASN A 35 27.229 -13.364 8.878 1.00 1.00 H new ATOM 0 HD22 ASN A 35 27.680 -13.774 7.220 1.00 1.00 H new ATOM 542 N PRO A 36 32.434 -16.322 7.077 1.00 1.00 N ATOM 543 CA PRO A 36 33.761 -16.832 7.542 1.00 1.00 C ATOM 544 C PRO A 36 34.873 -15.809 7.334 1.00 1.00 C ATOM 545 O PRO A 36 35.941 -15.912 7.936 1.00 1.00 O ATOM 546 CB PRO A 36 33.996 -18.105 6.700 1.00 1.00 C ATOM 547 CG PRO A 36 32.639 -18.504 6.212 1.00 1.00 C ATOM 548 CD PRO A 36 31.854 -17.203 6.050 1.00 1.00 C ATOM 0 HA PRO A 36 33.767 -17.034 8.613 1.00 1.00 H new ATOM 0 HB2 PRO A 36 34.672 -17.908 5.868 1.00 1.00 H new ATOM 0 HB3 PRO A 36 34.448 -18.896 7.298 1.00 1.00 H new ATOM 0 HG2 PRO A 36 32.706 -19.040 5.265 1.00 1.00 H new ATOM 0 HG3 PRO A 36 32.149 -19.170 6.922 1.00 1.00 H new ATOM 0 HD2 PRO A 36 31.971 -16.785 5.050 1.00 1.00 H new ATOM 0 HD3 PRO A 36 30.786 -17.356 6.209 1.00 1.00 H new ATOM 556 N ASP A 37 34.616 -14.822 6.482 1.00 1.00 N ATOM 557 CA ASP A 37 35.611 -13.787 6.213 1.00 1.00 C ATOM 558 C ASP A 37 35.525 -12.686 7.271 1.00 1.00 C ATOM 559 O ASP A 37 36.278 -11.715 7.223 1.00 1.00 O ATOM 560 CB ASP A 37 35.390 -13.176 4.820 1.00 1.00 C ATOM 561 CG ASP A 37 34.209 -12.207 4.841 1.00 1.00 C ATOM 562 OD1 ASP A 37 33.351 -12.369 5.693 1.00 1.00 O ATOM 563 OD2 ASP A 37 34.185 -11.313 4.012 1.00 1.00 O ATOM 0 H ASP A 37 33.740 -14.716 5.971 1.00 1.00 H new ATOM 0 HA ASP A 37 36.599 -14.246 6.247 1.00 1.00 H new ATOM 0 HB2 ASP A 37 36.291 -12.653 4.499 1.00 1.00 H new ATOM 0 HB3 ASP A 37 35.205 -13.968 4.094 1.00 1.00 H new ATOM 568 N TYR A 38 34.589 -12.832 8.217 1.00 1.00 N ATOM 569 CA TYR A 38 34.408 -11.820 9.268 1.00 1.00 C ATOM 570 C TYR A 38 34.958 -12.321 10.602 1.00 1.00 C ATOM 571 O TYR A 38 34.603 -11.806 11.663 1.00 1.00 O ATOM 572 CB TYR A 38 32.914 -11.465 9.413 1.00 1.00 C ATOM 573 CG TYR A 38 32.762 -10.006 9.794 1.00 1.00 C ATOM 574 CD1 TYR A 38 32.777 -9.021 8.798 1.00 1.00 C ATOM 575 CD2 TYR A 38 32.613 -9.644 11.137 1.00 1.00 C ATOM 576 CE1 TYR A 38 32.645 -7.671 9.148 1.00 1.00 C ATOM 577 CE2 TYR A 38 32.483 -8.294 11.486 1.00 1.00 C ATOM 578 CZ TYR A 38 32.498 -7.309 10.493 1.00 1.00 C ATOM 579 OH TYR A 38 32.371 -5.980 10.838 1.00 1.00 O ATOM 0 H TYR A 38 33.954 -13.628 8.278 1.00 1.00 H new ATOM 0 HA TYR A 38 34.960 -10.925 8.981 1.00 1.00 H new ATOM 0 HB2 TYR A 38 32.393 -11.661 8.476 1.00 1.00 H new ATOM 0 HB3 TYR A 38 32.454 -12.097 10.172 1.00 1.00 H new ATOM 0 HD1 TYR A 38 32.890 -9.302 7.761 1.00 1.00 H new ATOM 0 HD2 TYR A 38 32.598 -10.405 11.904 1.00 1.00 H new ATOM 0 HE1 TYR A 38 32.657 -6.910 8.382 1.00 1.00 H new ATOM 0 HE2 TYR A 38 32.371 -8.013 12.523 1.00 1.00 H new ATOM 0 HH TYR A 38 32.277 -5.902 11.810 1.00 1.00 H new ATOM 589 N GLU A 39 35.836 -13.318 10.538 1.00 1.00 N ATOM 590 CA GLU A 39 36.449 -13.880 11.739 1.00 1.00 C ATOM 591 C GLU A 39 37.975 -13.964 11.582 1.00 1.00 C ATOM 592 O GLU A 39 38.590 -14.945 12.000 1.00 1.00 O ATOM 593 CB GLU A 39 35.864 -15.269 12.010 1.00 1.00 C ATOM 594 CG GLU A 39 34.346 -15.147 12.174 1.00 1.00 C ATOM 595 CD GLU A 39 33.741 -16.506 12.509 1.00 1.00 C ATOM 596 OE1 GLU A 39 34.049 -17.458 11.812 1.00 1.00 O ATOM 597 OE2 GLU A 39 32.977 -16.574 13.459 1.00 1.00 O ATOM 0 H GLU A 39 36.139 -13.754 9.667 1.00 1.00 H new ATOM 0 HA GLU A 39 36.232 -13.227 12.585 1.00 1.00 H new ATOM 0 HB2 GLU A 39 36.101 -15.944 11.188 1.00 1.00 H new ATOM 0 HB3 GLU A 39 36.307 -15.695 12.910 1.00 1.00 H new ATOM 0 HG2 GLU A 39 34.115 -14.433 12.965 1.00 1.00 H new ATOM 0 HG3 GLU A 39 33.904 -14.760 11.256 1.00 1.00 H new ATOM 604 N PRO A 40 38.597 -12.951 11.004 1.00 1.00 N ATOM 605 CA PRO A 40 40.084 -12.917 10.811 1.00 1.00 C ATOM 606 C PRO A 40 40.835 -12.830 12.141 1.00 1.00 C ATOM 607 O PRO A 40 41.929 -12.275 12.213 1.00 1.00 O ATOM 608 CB PRO A 40 40.317 -11.655 9.958 1.00 1.00 C ATOM 609 CG PRO A 40 39.135 -10.784 10.233 1.00 1.00 C ATOM 610 CD PRO A 40 37.962 -11.733 10.467 1.00 1.00 C ATOM 0 HA PRO A 40 40.456 -13.826 10.338 1.00 1.00 H new ATOM 0 HB2 PRO A 40 41.247 -11.158 10.233 1.00 1.00 H new ATOM 0 HB3 PRO A 40 40.389 -11.901 8.899 1.00 1.00 H new ATOM 0 HG2 PRO A 40 39.308 -10.154 11.106 1.00 1.00 H new ATOM 0 HG3 PRO A 40 38.937 -10.118 9.393 1.00 1.00 H new ATOM 0 HD2 PRO A 40 37.242 -11.314 11.170 1.00 1.00 H new ATOM 0 HD3 PRO A 40 37.422 -11.938 9.542 1.00 1.00 H new ATOM 618 N ILE A 41 40.230 -13.379 13.188 1.00 1.00 N ATOM 619 CA ILE A 41 40.831 -13.369 14.528 1.00 1.00 C ATOM 620 C ILE A 41 41.429 -14.742 14.852 1.00 1.00 C ATOM 621 O ILE A 41 41.897 -14.976 15.965 1.00 1.00 O ATOM 622 CB ILE A 41 39.771 -12.971 15.609 1.00 1.00 C ATOM 623 CG1 ILE A 41 38.370 -12.795 14.982 1.00 1.00 C ATOM 624 CG2 ILE A 41 40.170 -11.663 16.306 1.00 1.00 C ATOM 625 CD1 ILE A 41 38.273 -11.478 14.189 1.00 1.00 C ATOM 0 H ILE A 41 39.321 -13.839 13.140 1.00 1.00 H new ATOM 0 HA ILE A 41 41.628 -12.626 14.540 1.00 1.00 H new ATOM 0 HB ILE A 41 39.737 -13.780 16.339 1.00 1.00 H new ATOM 0 HG12 ILE A 41 38.156 -13.636 14.322 1.00 1.00 H new ATOM 0 HG13 ILE A 41 37.614 -12.806 15.767 1.00 1.00 H new ATOM 0 HG21 ILE A 41 39.419 -11.405 17.053 1.00 1.00 H new ATOM 0 HG22 ILE A 41 41.137 -11.790 16.792 1.00 1.00 H new ATOM 0 HG23 ILE A 41 40.237 -10.863 15.568 1.00 1.00 H new ATOM 0 HD11 ILE A 41 37.275 -11.384 13.760 1.00 1.00 H new ATOM 0 HD12 ILE A 41 38.462 -10.637 14.856 1.00 1.00 H new ATOM 0 HD13 ILE A 41 39.013 -11.480 13.389 1.00 1.00 H new ATOM 637 N ARG A 42 41.414 -15.643 13.873 1.00 1.00 N ATOM 638 CA ARG A 42 41.963 -16.994 14.067 1.00 1.00 C ATOM 639 C ARG A 42 43.304 -17.138 13.355 1.00 1.00 C ATOM 640 O ARG A 42 43.358 -17.455 12.166 1.00 1.00 O ATOM 641 CB ARG A 42 40.991 -18.048 13.532 1.00 1.00 C ATOM 642 CG ARG A 42 39.668 -17.942 14.288 1.00 1.00 C ATOM 643 CD ARG A 42 38.768 -19.115 13.908 1.00 1.00 C ATOM 644 NE ARG A 42 39.255 -20.330 14.550 1.00 1.00 N ATOM 645 CZ ARG A 42 38.657 -21.500 14.363 1.00 1.00 C ATOM 646 NH1 ARG A 42 37.608 -21.581 13.591 1.00 1.00 N ATOM 647 NH2 ARG A 42 39.117 -22.568 14.955 1.00 1.00 N ATOM 0 H ARG A 42 41.033 -15.470 12.943 1.00 1.00 H new ATOM 0 HA ARG A 42 42.109 -17.146 15.136 1.00 1.00 H new ATOM 0 HB2 ARG A 42 40.826 -17.900 12.465 1.00 1.00 H new ATOM 0 HB3 ARG A 42 41.414 -19.045 13.654 1.00 1.00 H new ATOM 0 HG2 ARG A 42 39.850 -17.943 15.363 1.00 1.00 H new ATOM 0 HG3 ARG A 42 39.175 -17.000 14.049 1.00 1.00 H new ATOM 0 HD2 ARG A 42 37.742 -18.914 14.216 1.00 1.00 H new ATOM 0 HD3 ARG A 42 38.757 -19.243 12.826 1.00 1.00 H new ATOM 0 HE ARG A 42 40.074 -20.280 15.156 1.00 1.00 H new ATOM 0 HH11 ARG A 42 37.247 -20.745 13.131 1.00 1.00 H new ATOM 0 HH12 ARG A 42 37.149 -22.480 13.447 1.00 1.00 H new ATOM 0 HH21 ARG A 42 39.935 -22.503 15.561 1.00 1.00 H new ATOM 0 HH22 ARG A 42 38.658 -23.468 14.812 1.00 1.00 H new ATOM 661 N LYS A 43 44.385 -16.903 14.093 1.00 1.00 N ATOM 662 CA LYS A 43 45.718 -17.004 13.528 1.00 1.00 C ATOM 663 C LYS A 43 46.789 -16.912 14.631 1.00 1.00 C ATOM 664 O LYS A 43 46.688 -16.080 15.533 1.00 1.00 O ATOM 665 CB LYS A 43 45.905 -15.879 12.510 1.00 1.00 C ATOM 666 CG LYS A 43 45.746 -14.518 13.188 1.00 1.00 C ATOM 667 CD LYS A 43 45.979 -13.420 12.157 1.00 1.00 C ATOM 668 CE LYS A 43 45.776 -12.055 12.817 1.00 1.00 C ATOM 669 NZ LYS A 43 45.971 -10.979 11.806 1.00 1.00 N ATOM 0 H LYS A 43 44.360 -16.643 15.079 1.00 1.00 H new ATOM 0 HA LYS A 43 45.831 -17.971 13.037 1.00 1.00 H new ATOM 0 HB2 LYS A 43 46.892 -15.953 12.054 1.00 1.00 H new ATOM 0 HB3 LYS A 43 45.175 -15.981 11.707 1.00 1.00 H new ATOM 0 HG2 LYS A 43 44.748 -14.426 13.618 1.00 1.00 H new ATOM 0 HG3 LYS A 43 46.457 -14.421 14.009 1.00 1.00 H new ATOM 0 HD2 LYS A 43 46.988 -13.494 11.752 1.00 1.00 H new ATOM 0 HD3 LYS A 43 45.290 -13.538 11.321 1.00 1.00 H new ATOM 0 HE2 LYS A 43 44.775 -11.991 13.243 1.00 1.00 H new ATOM 0 HE3 LYS A 43 46.481 -11.928 13.639 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 45.833 -10.051 12.255 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 46.935 -11.036 11.419 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 45.282 -11.097 11.036 1.00 1.00 H new ATOM 683 N GLY A 44 47.809 -17.773 14.567 1.00 1.00 N ATOM 684 CA GLY A 44 48.876 -17.750 15.580 1.00 1.00 C ATOM 685 C GLY A 44 49.732 -16.488 15.467 1.00 1.00 C ATOM 686 O GLY A 44 49.940 -15.781 16.455 1.00 1.00 O ATOM 0 H GLY A 44 47.921 -18.482 13.842 1.00 1.00 H new ATOM 0 HA2 GLY A 44 48.435 -17.803 16.575 1.00 1.00 H new ATOM 0 HA3 GLY A 44 49.508 -18.631 15.464 1.00 1.00 H new ATOM 690 N GLN A 45 50.226 -16.209 14.261 1.00 1.00 N ATOM 691 CA GLN A 45 51.060 -15.025 14.040 1.00 1.00 C ATOM 692 C GLN A 45 52.195 -14.967 15.057 1.00 1.00 C ATOM 693 O GLN A 45 52.114 -14.258 16.058 1.00 1.00 O ATOM 694 CB GLN A 45 50.192 -13.767 14.152 1.00 1.00 C ATOM 695 CG GLN A 45 50.845 -12.606 13.402 1.00 1.00 C ATOM 696 CD GLN A 45 52.190 -12.265 14.032 1.00 1.00 C ATOM 697 OE1 GLN A 45 53.214 -12.258 13.349 1.00 1.00 O ATOM 698 NE2 GLN A 45 52.247 -11.984 15.304 1.00 1.00 N ATOM 0 H GLN A 45 50.067 -16.778 13.430 1.00 1.00 H new ATOM 0 HA GLN A 45 51.498 -15.082 13.043 1.00 1.00 H new ATOM 0 HB2 GLN A 45 49.201 -13.963 13.742 1.00 1.00 H new ATOM 0 HB3 GLN A 45 50.057 -13.502 15.201 1.00 1.00 H new ATOM 0 HG2 GLN A 45 50.983 -12.872 12.354 1.00 1.00 H new ATOM 0 HG3 GLN A 45 50.192 -11.734 13.427 1.00 1.00 H new ATOM 0 HE21 GLN A 45 51.396 -11.991 15.866 1.00 1.00 H new ATOM 0 HE22 GLN A 45 53.142 -11.757 15.737 1.00 1.00 H new ATOM 707 N ARG A 46 53.253 -15.718 14.781 1.00 1.00 N ATOM 708 CA ARG A 46 54.413 -15.755 15.667 1.00 1.00 C ATOM 709 C ARG A 46 55.531 -16.594 15.057 1.00 1.00 C ATOM 710 O ARG A 46 56.663 -16.581 15.539 1.00 1.00 O ATOM 711 CB ARG A 46 54.011 -16.339 17.022 1.00 1.00 C ATOM 712 CG ARG A 46 53.542 -17.786 16.843 1.00 1.00 C ATOM 713 CD ARG A 46 52.773 -18.236 18.097 1.00 1.00 C ATOM 714 NE ARG A 46 53.287 -17.543 19.280 1.00 1.00 N ATOM 715 CZ ARG A 46 52.501 -17.245 20.316 1.00 1.00 C ATOM 716 NH1 ARG A 46 51.240 -17.588 20.308 1.00 1.00 N ATOM 717 NH2 ARG A 46 52.993 -16.610 21.344 1.00 1.00 N ATOM 0 H ARG A 46 53.334 -16.309 13.953 1.00 1.00 H new ATOM 0 HA ARG A 46 54.777 -14.737 15.803 1.00 1.00 H new ATOM 0 HB2 ARG A 46 54.856 -16.303 17.709 1.00 1.00 H new ATOM 0 HB3 ARG A 46 53.215 -15.741 17.465 1.00 1.00 H new ATOM 0 HG2 ARG A 46 52.903 -17.866 15.964 1.00 1.00 H new ATOM 0 HG3 ARG A 46 54.399 -18.439 16.675 1.00 1.00 H new ATOM 0 HD2 ARG A 46 51.710 -18.026 17.976 1.00 1.00 H new ATOM 0 HD3 ARG A 46 52.872 -19.314 18.226 1.00 1.00 H new ATOM 0 HE ARG A 46 54.272 -17.281 19.313 1.00 1.00 H new ATOM 0 HH11 ARG A 46 50.852 -18.086 19.507 1.00 1.00 H new ATOM 0 HH12 ARG A 46 50.644 -17.358 21.103 1.00 1.00 H new ATOM 0 HH21 ARG A 46 53.977 -16.342 21.355 1.00 1.00 H new ATOM 0 HH22 ARG A 46 52.393 -16.381 22.137 1.00 1.00 H new ATOM 731 N ASP A 47 55.206 -17.321 13.992 1.00 1.00 N ATOM 732 CA ASP A 47 56.191 -18.164 13.313 1.00 1.00 C ATOM 733 C ASP A 47 56.790 -17.421 12.129 1.00 1.00 C ATOM 734 O ASP A 47 57.654 -17.947 11.427 1.00 1.00 O ATOM 735 CB ASP A 47 55.538 -19.459 12.821 1.00 1.00 C ATOM 736 CG ASP A 47 54.996 -20.252 14.005 1.00 1.00 C ATOM 737 OD1 ASP A 47 55.436 -19.998 15.114 1.00 1.00 O ATOM 738 OD2 ASP A 47 54.150 -21.103 13.785 1.00 1.00 O ATOM 0 H ASP A 47 54.273 -17.345 13.580 1.00 1.00 H new ATOM 0 HA ASP A 47 56.980 -18.409 14.024 1.00 1.00 H new ATOM 0 HB2 ASP A 47 54.730 -19.228 12.127 1.00 1.00 H new ATOM 0 HB3 ASP A 47 56.266 -20.058 12.274 1.00 1.00 H new ATOM 743 N LEU A 48 56.326 -16.196 11.908 1.00 1.00 N ATOM 744 CA LEU A 48 56.833 -15.402 10.795 1.00 1.00 C ATOM 745 C LEU A 48 58.328 -15.129 10.999 1.00 1.00 C ATOM 746 O LEU A 48 59.097 -15.099 10.040 1.00 1.00 O ATOM 747 CB LEU A 48 56.045 -14.077 10.669 1.00 1.00 C ATOM 748 CG LEU A 48 55.965 -13.627 9.200 1.00 1.00 C ATOM 749 CD1 LEU A 48 55.188 -12.308 9.117 1.00 1.00 C ATOM 750 CD2 LEU A 48 57.378 -13.437 8.619 1.00 1.00 C ATOM 0 H LEU A 48 55.612 -15.737 12.474 1.00 1.00 H new ATOM 0 HA LEU A 48 56.699 -15.960 9.868 1.00 1.00 H new ATOM 0 HB2 LEU A 48 55.040 -14.207 11.070 1.00 1.00 H new ATOM 0 HB3 LEU A 48 56.528 -13.303 11.265 1.00 1.00 H new ATOM 0 HG LEU A 48 55.452 -14.394 8.620 1.00 1.00 H new ATOM 0 HD11 LEU A 48 55.129 -11.985 8.078 1.00 1.00 H new ATOM 0 HD12 LEU A 48 54.182 -12.453 9.510 1.00 1.00 H new ATOM 0 HD13 LEU A 48 55.700 -11.546 9.705 1.00 1.00 H new ATOM 0 HD21 LEU A 48 57.304 -13.119 7.579 1.00 1.00 H new ATOM 0 HD22 LEU A 48 57.909 -12.678 9.194 1.00 1.00 H new ATOM 0 HD23 LEU A 48 57.923 -14.380 8.672 1.00 1.00 H new ATOM 762 N TYR A 49 58.734 -14.936 12.256 1.00 1.00 N ATOM 763 CA TYR A 49 60.142 -14.668 12.554 1.00 1.00 C ATOM 764 C TYR A 49 61.028 -15.840 12.133 1.00 1.00 C ATOM 765 O TYR A 49 62.144 -15.637 11.656 1.00 1.00 O ATOM 766 CB TYR A 49 60.343 -14.377 14.051 1.00 1.00 C ATOM 767 CG TYR A 49 59.734 -13.036 14.390 1.00 1.00 C ATOM 768 CD1 TYR A 49 60.454 -11.862 14.135 1.00 1.00 C ATOM 769 CD2 TYR A 49 58.455 -12.962 14.958 1.00 1.00 C ATOM 770 CE1 TYR A 49 59.899 -10.618 14.446 1.00 1.00 C ATOM 771 CE2 TYR A 49 57.898 -11.714 15.269 1.00 1.00 C ATOM 772 CZ TYR A 49 58.621 -10.542 15.012 1.00 1.00 C ATOM 773 OH TYR A 49 58.074 -9.313 15.319 1.00 1.00 O ATOM 0 H TYR A 49 58.120 -14.960 13.070 1.00 1.00 H new ATOM 0 HA TYR A 49 60.433 -13.787 11.982 1.00 1.00 H new ATOM 0 HB2 TYR A 49 59.879 -15.161 14.650 1.00 1.00 H new ATOM 0 HB3 TYR A 49 61.406 -14.377 14.293 1.00 1.00 H new ATOM 0 HD1 TYR A 49 61.440 -11.918 13.697 1.00 1.00 H new ATOM 0 HD2 TYR A 49 57.899 -13.866 15.156 1.00 1.00 H new ATOM 0 HE1 TYR A 49 60.457 -9.714 14.249 1.00 1.00 H new ATOM 0 HE2 TYR A 49 56.912 -11.656 15.706 1.00 1.00 H new ATOM 0 HH TYR A 49 57.181 -9.439 15.703 1.00 1.00 H new ATOM 783 N SER A 50 60.534 -17.061 12.313 1.00 1.00 N ATOM 784 CA SER A 50 61.303 -18.250 11.943 1.00 1.00 C ATOM 785 C SER A 50 61.585 -18.276 10.448 1.00 1.00 C ATOM 786 O SER A 50 62.703 -18.565 10.021 1.00 1.00 O ATOM 787 CB SER A 50 60.526 -19.502 12.333 1.00 1.00 C ATOM 788 OG SER A 50 60.369 -19.534 13.744 1.00 1.00 O ATOM 0 H SER A 50 59.614 -17.255 12.709 1.00 1.00 H new ATOM 0 HA SER A 50 62.255 -18.221 12.474 1.00 1.00 H new ATOM 0 HB2 SER A 50 59.551 -19.505 11.846 1.00 1.00 H new ATOM 0 HB3 SER A 50 61.055 -20.393 11.994 1.00 1.00 H new ATOM 0 HG SER A 50 59.868 -20.337 13.999 1.00 1.00 H new ATOM 794 N GLY A 51 60.565 -17.969 9.661 1.00 1.00 N ATOM 795 CA GLY A 51 60.718 -17.954 8.206 1.00 1.00 C ATOM 796 C GLY A 51 61.596 -16.782 7.774 1.00 1.00 C ATOM 797 O GLY A 51 61.784 -16.546 6.578 1.00 1.00 O ATOM 0 H GLY A 51 59.632 -17.729 9.995 1.00 1.00 H new ATOM 0 HA2 GLY A 51 61.162 -18.892 7.871 1.00 1.00 H new ATOM 0 HA3 GLY A 51 59.739 -17.877 7.732 1.00 1.00 H new ATOM 801 N LEU A 52 62.134 -16.045 8.752 1.00 1.00 N ATOM 802 CA LEU A 52 62.993 -14.897 8.447 1.00 1.00 C ATOM 803 C LEU A 52 64.248 -15.358 7.728 1.00 1.00 C ATOM 804 O LEU A 52 64.777 -14.643 6.882 1.00 1.00 O ATOM 805 CB LEU A 52 63.367 -14.114 9.728 1.00 1.00 C ATOM 806 CG LEU A 52 64.222 -12.849 9.422 1.00 1.00 C ATOM 807 CD1 LEU A 52 65.694 -13.208 9.092 1.00 1.00 C ATOM 808 CD2 LEU A 52 63.608 -12.040 8.266 1.00 1.00 C ATOM 0 H LEU A 52 61.993 -16.219 9.747 1.00 1.00 H new ATOM 0 HA LEU A 52 62.434 -14.225 7.796 1.00 1.00 H new ATOM 0 HB2 LEU A 52 62.456 -13.817 10.248 1.00 1.00 H new ATOM 0 HB3 LEU A 52 63.920 -14.768 10.402 1.00 1.00 H new ATOM 0 HG LEU A 52 64.221 -12.239 10.325 1.00 1.00 H new ATOM 0 HD11 LEU A 52 66.253 -12.296 8.885 1.00 1.00 H new ATOM 0 HD12 LEU A 52 66.142 -13.724 9.941 1.00 1.00 H new ATOM 0 HD13 LEU A 52 65.723 -13.857 8.217 1.00 1.00 H new ATOM 0 HD21 LEU A 52 64.222 -11.161 8.070 1.00 1.00 H new ATOM 0 HD22 LEU A 52 63.566 -12.660 7.370 1.00 1.00 H new ATOM 0 HD23 LEU A 52 62.600 -11.725 8.537 1.00 1.00 H new ATOM 820 N ASN A 53 64.725 -16.551 8.076 1.00 1.00 N ATOM 821 CA ASN A 53 65.941 -17.103 7.443 1.00 1.00 C ATOM 822 C ASN A 53 66.033 -16.685 5.976 1.00 1.00 C ATOM 823 O ASN A 53 67.129 -16.580 5.426 1.00 1.00 O ATOM 824 CB ASN A 53 65.955 -18.639 7.531 1.00 1.00 C ATOM 825 CG ASN A 53 64.634 -19.182 7.016 1.00 1.00 C ATOM 826 OD1 ASN A 53 64.516 -19.523 5.838 1.00 1.00 O ATOM 827 ND2 ASN A 53 63.622 -19.265 7.829 1.00 1.00 N ATOM 0 H ASN A 53 64.302 -17.154 8.782 1.00 1.00 H new ATOM 0 HA ASN A 53 66.799 -16.703 7.983 1.00 1.00 H new ATOM 0 HB2 ASN A 53 66.781 -19.041 6.944 1.00 1.00 H new ATOM 0 HB3 ASN A 53 66.114 -18.954 8.562 1.00 1.00 H new ATOM 0 HD21 ASN A 53 62.725 -19.614 7.492 1.00 1.00 H new ATOM 0 HD22 ASN A 53 63.726 -18.981 8.803 1.00 1.00 H new ATOM 834 N GLN A 54 64.877 -16.428 5.354 1.00 1.00 N ATOM 835 CA GLN A 54 64.840 -16.006 3.951 1.00 1.00 C ATOM 836 C GLN A 54 65.827 -16.810 3.112 1.00 1.00 C ATOM 837 O GLN A 54 66.147 -16.412 1.992 1.00 1.00 O ATOM 838 CB GLN A 54 65.153 -14.504 3.845 1.00 1.00 C ATOM 839 CG GLN A 54 63.897 -13.683 4.175 1.00 1.00 C ATOM 840 CD GLN A 54 64.265 -12.214 4.343 1.00 1.00 C ATOM 841 OE1 GLN A 54 65.357 -11.895 4.811 1.00 1.00 O ATOM 842 NE2 GLN A 54 63.412 -11.294 3.985 1.00 1.00 N ATOM 0 H GLN A 54 63.961 -16.504 5.797 1.00 1.00 H new ATOM 0 HA GLN A 54 63.838 -16.191 3.564 1.00 1.00 H new ATOM 0 HB2 GLN A 54 65.959 -14.243 4.530 1.00 1.00 H new ATOM 0 HB3 GLN A 54 65.500 -14.266 2.839 1.00 1.00 H new ATOM 0 HG2 GLN A 54 63.161 -13.793 3.379 1.00 1.00 H new ATOM 0 HG3 GLN A 54 63.437 -14.058 5.089 1.00 1.00 H new ATOM 0 HE21 GLN A 54 62.507 -11.561 3.597 1.00 1.00 H new ATOM 0 HE22 GLN A 54 63.650 -10.308 4.093 1.00 1.00 H new ATOM 851 N ARG A 55 66.301 -17.938 3.671 1.00 1.00 N ATOM 852 CA ARG A 55 67.263 -18.821 2.974 1.00 1.00 C ATOM 853 C ARG A 55 68.093 -18.031 1.971 1.00 1.00 C ATOM 854 O ARG A 55 67.927 -18.168 0.758 1.00 1.00 O ATOM 855 CB ARG A 55 66.537 -19.969 2.245 1.00 1.00 C ATOM 856 CG ARG A 55 65.360 -19.433 1.396 1.00 1.00 C ATOM 857 CD ARG A 55 64.054 -19.420 2.214 1.00 1.00 C ATOM 858 NE ARG A 55 62.951 -18.912 1.392 1.00 1.00 N ATOM 859 CZ ARG A 55 61.970 -18.156 1.901 1.00 1.00 C ATOM 860 NH1 ARG A 55 61.971 -17.819 3.165 1.00 1.00 N ATOM 861 NH2 ARG A 55 60.998 -17.747 1.128 1.00 1.00 N ATOM 0 H ARG A 55 66.036 -18.262 4.601 1.00 1.00 H new ATOM 0 HA ARG A 55 67.923 -19.246 3.731 1.00 1.00 H new ATOM 0 HB2 ARG A 55 67.241 -20.499 1.603 1.00 1.00 H new ATOM 0 HB3 ARG A 55 66.165 -20.689 2.974 1.00 1.00 H new ATOM 0 HG2 ARG A 55 65.586 -18.425 1.048 1.00 1.00 H new ATOM 0 HG3 ARG A 55 65.233 -20.055 0.510 1.00 1.00 H new ATOM 0 HD2 ARG A 55 63.824 -20.427 2.563 1.00 1.00 H new ATOM 0 HD3 ARG A 55 64.176 -18.796 3.099 1.00 1.00 H new ATOM 0 HE ARG A 55 62.930 -19.142 0.399 1.00 1.00 H new ATOM 0 HH11 ARG A 55 62.725 -18.133 3.776 1.00 1.00 H new ATOM 0 HH12 ARG A 55 61.217 -17.243 3.540 1.00 1.00 H new ATOM 0 HH21 ARG A 55 60.989 -18.004 0.141 1.00 1.00 H new ATOM 0 HH22 ARG A 55 60.249 -17.171 1.512 1.00 1.00 H new ATOM 875 N ALA A 56 68.966 -17.186 2.487 1.00 1.00 N ATOM 876 CA ALA A 56 69.800 -16.350 1.621 1.00 1.00 C ATOM 877 C ALA A 56 68.936 -15.683 0.550 1.00 1.00 C ATOM 878 O ALA A 56 69.098 -15.944 -0.640 1.00 1.00 O ATOM 879 CB ALA A 56 70.874 -17.201 0.945 1.00 1.00 C ATOM 0 H ALA A 56 69.121 -17.056 3.487 1.00 1.00 H new ATOM 0 HA ALA A 56 70.278 -15.584 2.232 1.00 1.00 H new ATOM 0 HB1 ALA A 56 71.488 -16.569 0.303 1.00 1.00 H new ATOM 0 HB2 ALA A 56 71.502 -17.666 1.705 1.00 1.00 H new ATOM 0 HB3 ALA A 56 70.399 -17.976 0.343 1.00 1.00 H new ATOM 885 N VAL A 57 68.017 -14.825 0.987 1.00 1.00 N ATOM 886 CA VAL A 57 67.122 -14.121 0.057 1.00 1.00 C ATOM 887 C VAL A 57 66.670 -15.042 -1.075 1.00 1.00 C ATOM 888 O VAL A 57 65.682 -15.735 -0.891 1.00 1.00 O ATOM 889 CB VAL A 57 67.841 -12.908 -0.534 1.00 1.00 C ATOM 890 CG1 VAL A 57 66.892 -12.147 -1.463 1.00 1.00 C ATOM 891 CG2 VAL A 57 68.292 -11.984 0.599 1.00 1.00 C ATOM 892 OXT VAL A 57 67.316 -15.037 -2.109 1.00 1.00 O ATOM 0 H VAL A 57 67.869 -14.598 1.970 1.00 1.00 H new ATOM 0 HA VAL A 57 66.242 -13.797 0.613 1.00 1.00 H new ATOM 0 HB VAL A 57 68.709 -13.244 -1.101 1.00 1.00 H new ATOM 0 HG11 VAL A 57 67.408 -11.283 -1.882 1.00 1.00 H new ATOM 0 HG12 VAL A 57 66.569 -12.804 -2.271 1.00 1.00 H new ATOM 0 HG13 VAL A 57 66.022 -11.811 -0.899 1.00 1.00 H new ATOM 0 HG21 VAL A 57 68.805 -11.118 0.180 1.00 1.00 H new ATOM 0 HG22 VAL A 57 67.422 -11.651 1.165 1.00 1.00 H new ATOM 0 HG23 VAL A 57 68.971 -12.523 1.260 1.00 1.00 H new TER 902 VAL A 57