USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 60 ASN : amide:sc= 0.764 K(o=1.7,f=-0.49) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.914 K(o=1.7,f=-0.065) USER MOD Set 2.1: A 7 THR OG1 : rot -175:sc= 0.0888 USER MOD Set 2.2: A 9 THR OG1 : rot -9:sc= 0.0555 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0502) USER MOD Single : A 1 MET N :NH3+ 166:sc= 2.25 (180deg=1.93) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 0.682 (180deg=-0.498!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.527 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 25 ASN : amide:sc= 1.02 K(o=1,f=-0.68) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 1.11 (180deg=0.513) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0555 X(o=-0.055,f=-0.26) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 GLN : amide:sc= 0.789 K(o=0.79,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1 K(o=1,f=-0.56) USER MOD Single : A 55 THR OG1 : rot -75:sc= 1.12 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.53 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 85:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.585 51.627 20.066 1.00 0.00 N ATOM 2 CA MET A 1 32.788 52.143 21.429 1.00 0.00 C ATOM 3 C MET A 1 34.267 52.459 21.661 1.00 0.00 C ATOM 4 O MET A 1 35.118 51.879 20.990 1.00 0.00 O ATOM 5 CB MET A 1 32.240 51.139 22.438 1.00 0.00 C ATOM 6 CG MET A 1 32.281 51.594 23.894 1.00 0.00 C ATOM 7 SD MET A 1 31.586 53.231 24.226 1.00 0.00 S ATOM 8 CE MET A 1 29.824 52.910 23.964 1.00 0.00 C ATOM 0 H1 MET A 1 31.640 51.198 19.994 1.00 0.00 H new ATOM 0 H2 MET A 1 32.663 52.408 19.384 1.00 0.00 H new ATOM 0 H3 MET A 1 33.308 50.910 19.855 1.00 0.00 H new ATOM 0 HA MET A 1 32.242 53.077 21.561 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.207 50.910 22.174 1.00 0.00 H new ATOM 0 HB3 MET A 1 32.805 50.212 22.348 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.745 50.863 24.499 1.00 0.00 H new ATOM 0 HG3 MET A 1 33.318 51.586 24.229 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.250 53.801 24.217 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.653 52.653 22.919 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.507 52.082 24.598 1.00 0.00 H new ATOM 20 N GLN A 2 34.591 53.323 22.619 1.00 0.00 N ATOM 21 CA GLN A 2 35.957 53.609 23.009 1.00 0.00 C ATOM 22 C GLN A 2 36.511 52.590 24.007 1.00 0.00 C ATOM 23 O GLN A 2 35.840 52.227 24.970 1.00 0.00 O ATOM 24 CB GLN A 2 36.103 55.011 23.594 1.00 0.00 C ATOM 25 CG GLN A 2 35.864 56.133 22.587 1.00 0.00 C ATOM 26 CD GLN A 2 36.365 57.502 23.051 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.841 57.702 24.166 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.288 58.514 22.190 1.00 0.00 N ATOM 0 H GLN A 2 33.897 53.849 23.151 1.00 0.00 H new ATOM 0 HA GLN A 2 36.539 53.543 22.090 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.401 55.123 24.421 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.105 55.117 24.010 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.356 55.876 21.649 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.796 56.200 22.379 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.895 58.364 21.261 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.622 59.439 22.460 1.00 0.00 H new ATOM 37 N ILE A 3 37.774 52.217 23.819 1.00 0.00 N ATOM 38 CA ILE A 3 38.635 51.581 24.796 1.00 0.00 C ATOM 39 C ILE A 3 40.018 52.234 24.786 1.00 0.00 C ATOM 40 O ILE A 3 40.345 52.989 23.873 1.00 0.00 O ATOM 41 CB ILE A 3 38.728 50.072 24.586 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.238 49.709 23.195 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.398 49.399 24.914 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.655 48.249 23.049 1.00 0.00 C ATOM 0 H ILE A 3 38.246 52.362 22.926 1.00 0.00 H new ATOM 0 HA ILE A 3 38.189 51.729 25.780 1.00 0.00 H new ATOM 0 HB ILE A 3 39.473 49.686 25.282 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.459 49.929 22.465 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.089 50.345 22.954 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.486 48.324 24.758 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.138 49.594 25.954 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.619 49.797 24.264 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.005 48.071 22.032 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.457 48.027 23.753 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.801 47.604 23.257 1.00 0.00 H new ATOM 56 N PHE A 4 40.850 51.918 25.776 1.00 0.00 N ATOM 57 CA PHE A 4 42.216 52.388 25.875 1.00 0.00 C ATOM 58 C PHE A 4 43.233 51.247 25.814 1.00 0.00 C ATOM 59 O PHE A 4 42.926 50.108 26.160 1.00 0.00 O ATOM 60 CB PHE A 4 42.415 53.201 27.152 1.00 0.00 C ATOM 61 CG PHE A 4 41.355 54.242 27.421 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.378 55.461 26.732 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.354 53.997 28.369 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.399 56.429 26.983 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.389 54.976 28.640 1.00 0.00 C ATOM 66 CZ PHE A 4 39.404 56.185 27.936 1.00 0.00 C ATOM 0 H PHE A 4 40.578 51.311 26.549 1.00 0.00 H new ATOM 0 HA PHE A 4 42.392 53.027 25.010 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.452 52.515 27.999 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.384 53.697 27.101 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.153 55.655 26.005 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.326 53.052 28.892 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.411 57.363 26.442 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.634 54.798 29.392 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.647 56.931 28.128 1.00 0.00 H new ATOM 76 N VAL A 5 44.465 51.561 25.425 1.00 0.00 N ATOM 77 CA VAL A 5 45.601 50.661 25.467 1.00 0.00 C ATOM 78 C VAL A 5 46.804 51.384 26.074 1.00 0.00 C ATOM 79 O VAL A 5 47.103 52.510 25.682 1.00 0.00 O ATOM 80 CB VAL A 5 45.940 50.102 24.089 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.980 48.990 24.191 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.717 49.548 23.363 1.00 0.00 C ATOM 0 H VAL A 5 44.703 52.483 25.060 1.00 0.00 H new ATOM 0 HA VAL A 5 45.337 49.810 26.094 1.00 0.00 H new ATOM 0 HB VAL A 5 46.336 50.941 23.517 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.204 48.609 23.195 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.891 49.384 24.642 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.589 48.182 24.809 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.016 49.163 22.388 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.278 48.742 23.952 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.982 50.342 23.230 1.00 0.00 H new ATOM 92 N LYS A 6 47.501 50.741 27.006 1.00 0.00 N ATOM 93 CA LYS A 6 48.739 51.195 27.606 1.00 0.00 C ATOM 94 C LYS A 6 49.936 50.364 27.138 1.00 0.00 C ATOM 95 O LYS A 6 49.918 49.139 27.232 1.00 0.00 O ATOM 96 CB LYS A 6 48.629 51.189 29.128 1.00 0.00 C ATOM 97 CG LYS A 6 47.808 52.377 29.620 1.00 0.00 C ATOM 98 CD LYS A 6 47.768 52.392 31.146 1.00 0.00 C ATOM 99 CE LYS A 6 47.062 53.647 31.652 1.00 0.00 C ATOM 100 NZ LYS A 6 47.022 53.673 33.122 1.00 0.00 N ATOM 0 H LYS A 6 47.196 49.842 27.379 1.00 0.00 H new ATOM 0 HA LYS A 6 48.911 52.219 27.276 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.166 50.260 29.459 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.625 51.223 29.569 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.242 53.306 29.251 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.795 52.318 29.223 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.250 51.505 31.510 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.783 52.354 31.542 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.579 54.533 31.283 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.047 53.682 31.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.537 54.536 33.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.508 52.838 33.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.992 53.663 33.496 1.00 0.00 H new ATOM 114 N THR A 7 50.987 51.033 26.671 1.00 0.00 N ATOM 115 CA THR A 7 52.208 50.405 26.210 1.00 0.00 C ATOM 116 C THR A 7 53.075 49.865 27.350 1.00 0.00 C ATOM 117 O THR A 7 52.847 50.162 28.520 1.00 0.00 O ATOM 118 CB THR A 7 53.048 51.352 25.358 1.00 0.00 C ATOM 119 OG1 THR A 7 53.598 52.375 26.157 1.00 0.00 O ATOM 120 CG2 THR A 7 52.280 51.985 24.201 1.00 0.00 C ATOM 0 H THR A 7 51.007 52.051 26.604 1.00 0.00 H new ATOM 0 HA THR A 7 51.879 49.562 25.603 1.00 0.00 H new ATOM 0 HB THR A 7 53.835 50.736 24.923 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.069 53.018 25.587 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.943 52.645 23.642 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.906 51.202 23.541 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.441 52.561 24.593 1.00 0.00 H new ATOM 128 N LEU A 8 54.135 49.141 27.007 1.00 0.00 N ATOM 129 CA LEU A 8 55.210 48.696 27.872 1.00 0.00 C ATOM 130 C LEU A 8 55.853 49.806 28.705 1.00 0.00 C ATOM 131 O LEU A 8 56.355 49.535 29.793 1.00 0.00 O ATOM 132 CB LEU A 8 56.189 47.979 26.945 1.00 0.00 C ATOM 133 CG LEU A 8 57.477 47.422 27.543 1.00 0.00 C ATOM 134 CD1 LEU A 8 57.937 46.241 26.694 1.00 0.00 C ATOM 135 CD2 LEU A 8 58.616 48.438 27.534 1.00 0.00 C ATOM 0 H LEU A 8 54.271 48.830 26.045 1.00 0.00 H new ATOM 0 HA LEU A 8 54.833 48.032 28.649 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.656 47.152 26.475 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.464 48.674 26.151 1.00 0.00 H new ATOM 0 HG LEU A 8 57.257 47.145 28.574 1.00 0.00 H new ATOM 0 HD11 LEU A 8 58.858 45.831 27.109 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.165 45.471 26.693 1.00 0.00 H new ATOM 0 HD13 LEU A 8 58.117 46.576 25.672 1.00 0.00 H new ATOM 0 HD21 LEU A 8 59.508 47.989 27.971 1.00 0.00 H new ATOM 0 HD22 LEU A 8 58.827 48.739 26.508 1.00 0.00 H new ATOM 0 HD23 LEU A 8 58.328 49.313 28.117 1.00 0.00 H new ATOM 147 N THR A 9 55.786 51.055 28.253 1.00 0.00 N ATOM 148 CA THR A 9 56.273 52.238 28.934 1.00 0.00 C ATOM 149 C THR A 9 55.169 53.100 29.550 1.00 0.00 C ATOM 150 O THR A 9 55.434 54.201 30.024 1.00 0.00 O ATOM 151 CB THR A 9 57.178 53.069 28.028 1.00 0.00 C ATOM 152 OG1 THR A 9 56.455 53.558 26.921 1.00 0.00 O ATOM 153 CG2 THR A 9 58.352 52.266 27.476 1.00 0.00 C ATOM 0 H THR A 9 55.366 51.275 27.350 1.00 0.00 H new ATOM 0 HA THR A 9 56.863 51.868 29.773 1.00 0.00 H new ATOM 0 HB THR A 9 57.555 53.881 28.649 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.567 53.143 26.901 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.963 52.906 26.839 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.958 51.892 28.302 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.976 51.426 26.893 1.00 0.00 H new ATOM 161 N GLY A 10 53.925 52.629 29.559 1.00 0.00 N ATOM 162 CA GLY A 10 52.797 53.282 30.195 1.00 0.00 C ATOM 163 C GLY A 10 52.158 54.420 29.398 1.00 0.00 C ATOM 164 O GLY A 10 51.288 55.105 29.932 1.00 0.00 O ATOM 0 H GLY A 10 53.671 51.751 29.106 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.033 52.532 30.399 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.123 53.675 31.158 1.00 0.00 H new ATOM 168 N LYS A 11 52.551 54.640 28.146 1.00 0.00 N ATOM 169 CA LYS A 11 51.925 55.600 27.258 1.00 0.00 C ATOM 170 C LYS A 11 50.519 55.118 26.899 1.00 0.00 C ATOM 171 O LYS A 11 50.358 53.959 26.526 1.00 0.00 O ATOM 172 CB LYS A 11 52.806 55.787 26.027 1.00 0.00 C ATOM 173 CG LYS A 11 52.279 56.833 25.050 1.00 0.00 C ATOM 174 CD LYS A 11 53.162 56.916 23.810 1.00 0.00 C ATOM 175 CE LYS A 11 52.586 57.900 22.795 1.00 0.00 C ATOM 176 NZ LYS A 11 53.362 57.925 21.545 1.00 0.00 N ATOM 0 H LYS A 11 53.331 54.142 27.717 1.00 0.00 H new ATOM 0 HA LYS A 11 51.823 56.570 27.745 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.807 56.074 26.348 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.899 54.833 25.509 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.259 56.582 24.758 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.241 57.806 25.539 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.167 57.228 24.095 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.251 55.929 23.356 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.553 57.630 22.575 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.568 58.899 23.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.733 58.161 20.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.113 58.641 21.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.789 56.991 21.383 1.00 0.00 H new ATOM 190 N THR A 12 49.516 55.987 26.999 1.00 0.00 N ATOM 191 CA THR A 12 48.123 55.641 26.798 1.00 0.00 C ATOM 192 C THR A 12 47.622 56.099 25.427 1.00 0.00 C ATOM 193 O THR A 12 47.838 57.247 25.042 1.00 0.00 O ATOM 194 CB THR A 12 47.238 56.228 27.894 1.00 0.00 C ATOM 195 OG1 THR A 12 47.793 55.995 29.169 1.00 0.00 O ATOM 196 CG2 THR A 12 45.841 55.614 27.912 1.00 0.00 C ATOM 0 H THR A 12 49.659 56.971 27.227 1.00 0.00 H new ATOM 0 HA THR A 12 48.060 54.554 26.844 1.00 0.00 H new ATOM 0 HB THR A 12 47.173 57.293 27.673 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.210 56.381 29.855 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.254 56.068 28.711 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.352 55.795 26.955 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.918 54.540 28.083 1.00 0.00 H new ATOM 204 N ILE A 13 46.912 55.232 24.711 1.00 0.00 N ATOM 205 CA ILE A 13 46.224 55.537 23.474 1.00 0.00 C ATOM 206 C ILE A 13 44.747 55.146 23.564 1.00 0.00 C ATOM 207 O ILE A 13 44.410 54.115 24.141 1.00 0.00 O ATOM 208 CB ILE A 13 46.917 54.923 22.261 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.009 53.401 22.301 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.294 55.551 22.067 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.526 52.759 21.017 1.00 0.00 C ATOM 0 H ILE A 13 46.800 54.259 24.994 1.00 0.00 H new ATOM 0 HA ILE A 13 46.268 56.616 23.327 1.00 0.00 H new ATOM 0 HB ILE A 13 46.287 55.151 21.401 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.662 53.112 23.124 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.021 52.997 22.521 1.00 0.00 H new ATOM 0 HG21 ILE A 13 48.778 55.105 21.199 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.186 56.624 21.910 1.00 0.00 H new ATOM 0 HG23 ILE A 13 48.903 55.373 22.953 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.557 51.676 21.139 1.00 0.00 H new ATOM 0 HD12 ILE A 13 46.862 53.012 20.191 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.529 53.129 20.803 1.00 0.00 H new ATOM 223 N THR A 14 43.862 55.945 22.973 1.00 0.00 N ATOM 224 CA THR A 14 42.453 55.647 22.813 1.00 0.00 C ATOM 225 C THR A 14 42.196 55.044 21.431 1.00 0.00 C ATOM 226 O THR A 14 42.747 55.531 20.446 1.00 0.00 O ATOM 227 CB THR A 14 41.587 56.893 22.976 1.00 0.00 C ATOM 228 OG1 THR A 14 41.916 57.594 24.155 1.00 0.00 O ATOM 229 CG2 THR A 14 40.098 56.571 23.072 1.00 0.00 C ATOM 0 H THR A 14 44.123 56.850 22.580 1.00 0.00 H new ATOM 0 HA THR A 14 42.184 54.934 23.592 1.00 0.00 H new ATOM 0 HB THR A 14 41.784 57.490 22.085 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.571 57.107 24.932 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.532 57.496 23.187 1.00 0.00 H new ATOM 0 HG22 THR A 14 39.777 56.060 22.164 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.920 55.927 23.933 1.00 0.00 H new ATOM 237 N LEU A 15 41.341 54.029 21.350 1.00 0.00 N ATOM 238 CA LEU A 15 40.883 53.432 20.111 1.00 0.00 C ATOM 239 C LEU A 15 39.359 53.297 20.102 1.00 0.00 C ATOM 240 O LEU A 15 38.760 52.832 21.071 1.00 0.00 O ATOM 241 CB LEU A 15 41.563 52.082 19.894 1.00 0.00 C ATOM 242 CG LEU A 15 43.080 52.116 19.732 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.617 50.690 19.662 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.522 52.834 18.461 1.00 0.00 C ATOM 0 H LEU A 15 40.937 53.588 22.177 1.00 0.00 H new ATOM 0 HA LEU A 15 41.158 54.087 19.284 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.322 51.436 20.738 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.133 51.619 19.006 1.00 0.00 H new ATOM 0 HG LEU A 15 43.472 52.658 20.593 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.701 50.715 19.546 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.362 50.160 20.580 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.173 50.175 18.810 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.610 52.827 18.399 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.106 52.325 17.592 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.166 53.864 18.483 1.00 0.00 H new ATOM 256 N GLU A 16 38.744 53.690 18.991 1.00 0.00 N ATOM 257 CA GLU A 16 37.324 53.570 18.731 1.00 0.00 C ATOM 258 C GLU A 16 37.087 52.373 17.808 1.00 0.00 C ATOM 259 O GLU A 16 37.481 52.393 16.644 1.00 0.00 O ATOM 260 CB GLU A 16 36.827 54.899 18.169 1.00 0.00 C ATOM 261 CG GLU A 16 35.376 54.940 17.695 1.00 0.00 C ATOM 262 CD GLU A 16 34.358 54.642 18.797 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.320 55.353 19.825 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.547 53.708 18.619 1.00 0.00 O ATOM 0 H GLU A 16 39.250 54.119 18.216 1.00 0.00 H new ATOM 0 HA GLU A 16 36.752 53.374 19.638 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.957 55.663 18.935 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.467 55.176 17.331 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.168 55.925 17.278 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.246 54.218 16.889 1.00 0.00 H new ATOM 271 N VAL A 17 36.507 51.306 18.349 1.00 0.00 N ATOM 272 CA VAL A 17 36.429 49.989 17.751 1.00 0.00 C ATOM 273 C VAL A 17 35.093 49.302 18.043 1.00 0.00 C ATOM 274 O VAL A 17 34.379 49.680 18.969 1.00 0.00 O ATOM 275 CB VAL A 17 37.574 49.089 18.207 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.918 49.535 17.636 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.704 48.986 19.724 1.00 0.00 C ATOM 0 H VAL A 17 36.057 51.345 19.264 1.00 0.00 H new ATOM 0 HA VAL A 17 36.511 50.143 16.675 1.00 0.00 H new ATOM 0 HB VAL A 17 37.314 48.104 17.819 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.703 48.865 17.987 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.878 49.507 16.547 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.134 50.551 17.965 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.538 48.330 19.974 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.883 49.977 20.142 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.784 48.577 20.141 1.00 0.00 H new ATOM 287 N GLU A 18 34.773 48.258 17.282 1.00 0.00 N ATOM 288 CA GLU A 18 33.545 47.496 17.389 1.00 0.00 C ATOM 289 C GLU A 18 33.743 46.133 18.056 1.00 0.00 C ATOM 290 O GLU A 18 34.838 45.578 17.998 1.00 0.00 O ATOM 291 CB GLU A 18 32.906 47.347 16.011 1.00 0.00 C ATOM 292 CG GLU A 18 32.415 48.658 15.406 1.00 0.00 C ATOM 293 CD GLU A 18 31.776 48.388 14.041 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.537 48.497 13.907 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.521 48.076 13.087 1.00 0.00 O ATOM 0 H GLU A 18 35.390 47.911 16.548 1.00 0.00 H new ATOM 0 HA GLU A 18 32.872 48.053 18.041 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.631 46.896 15.333 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.066 46.656 16.085 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.691 49.128 16.071 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.247 49.354 15.298 1.00 0.00 H new ATOM 302 N PRO A 19 32.732 45.542 18.686 1.00 0.00 N ATOM 303 CA PRO A 19 32.931 44.462 19.631 1.00 0.00 C ATOM 304 C PRO A 19 33.318 43.107 19.033 1.00 0.00 C ATOM 305 O PRO A 19 33.856 42.266 19.748 1.00 0.00 O ATOM 306 CB PRO A 19 31.630 44.329 20.416 1.00 0.00 C ATOM 307 CG PRO A 19 30.935 45.673 20.214 1.00 0.00 C ATOM 308 CD PRO A 19 31.361 46.001 18.785 1.00 0.00 C ATOM 0 HA PRO A 19 33.791 44.726 20.247 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.021 43.505 20.043 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.819 44.133 21.471 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.852 45.598 20.316 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.271 46.424 20.929 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.723 45.498 18.058 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.288 47.070 18.587 1.00 0.00 H new ATOM 316 N SER A 20 33.033 42.874 17.755 1.00 0.00 N ATOM 317 CA SER A 20 33.346 41.636 17.069 1.00 0.00 C ATOM 318 C SER A 20 34.660 41.683 16.285 1.00 0.00 C ATOM 319 O SER A 20 34.980 40.721 15.592 1.00 0.00 O ATOM 320 CB SER A 20 32.195 41.181 16.176 1.00 0.00 C ATOM 321 OG SER A 20 31.088 40.792 16.956 1.00 0.00 O ATOM 0 H SER A 20 32.568 43.559 17.159 1.00 0.00 H new ATOM 0 HA SER A 20 33.487 40.896 17.856 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.907 41.989 15.504 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.519 40.348 15.552 1.00 0.00 H new ATOM 0 HG SER A 20 30.358 40.505 16.368 1.00 0.00 H new ATOM 327 N ASP A 21 35.442 42.752 16.398 1.00 0.00 N ATOM 328 CA ASP A 21 36.788 42.759 15.860 1.00 0.00 C ATOM 329 C ASP A 21 37.707 41.859 16.688 1.00 0.00 C ATOM 330 O ASP A 21 37.624 41.794 17.912 1.00 0.00 O ATOM 331 CB ASP A 21 37.302 44.189 15.711 1.00 0.00 C ATOM 332 CG ASP A 21 36.732 44.783 14.422 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.735 45.536 14.465 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.286 44.476 13.344 1.00 0.00 O ATOM 0 H ASP A 21 35.163 43.619 16.857 1.00 0.00 H new ATOM 0 HA ASP A 21 36.777 42.336 14.856 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.001 44.790 16.569 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.392 44.198 15.682 1.00 0.00 H new ATOM 339 N THR A 22 38.570 41.128 15.987 1.00 0.00 N ATOM 340 CA THR A 22 39.522 40.208 16.574 1.00 0.00 C ATOM 341 C THR A 22 40.642 40.947 17.310 1.00 0.00 C ATOM 342 O THR A 22 40.955 42.096 17.005 1.00 0.00 O ATOM 343 CB THR A 22 40.115 39.276 15.522 1.00 0.00 C ATOM 344 OG1 THR A 22 40.690 40.033 14.481 1.00 0.00 O ATOM 345 CG2 THR A 22 39.060 38.355 14.918 1.00 0.00 C ATOM 0 H THR A 22 38.622 41.165 14.969 1.00 0.00 H new ATOM 0 HA THR A 22 38.974 39.608 17.300 1.00 0.00 H new ATOM 0 HB THR A 22 40.869 38.666 16.020 1.00 0.00 H new ATOM 0 HG1 THR A 22 41.071 39.429 13.809 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.525 37.708 14.174 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.617 37.744 15.704 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.283 38.954 14.443 1.00 0.00 H new ATOM 353 N ILE A 23 41.318 40.270 18.233 1.00 0.00 N ATOM 354 CA ILE A 23 42.498 40.812 18.877 1.00 0.00 C ATOM 355 C ILE A 23 43.612 41.077 17.863 1.00 0.00 C ATOM 356 O ILE A 23 44.345 42.051 18.011 1.00 0.00 O ATOM 357 CB ILE A 23 42.908 39.919 20.045 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.842 39.813 21.132 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.238 40.335 20.665 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.449 41.108 21.837 1.00 0.00 C ATOM 0 H ILE A 23 41.061 39.335 18.551 1.00 0.00 H new ATOM 0 HA ILE A 23 42.271 41.789 19.302 1.00 0.00 H new ATOM 0 HB ILE A 23 43.027 38.930 19.602 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.945 39.382 20.687 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.194 39.109 21.886 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.480 39.666 21.490 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.024 40.280 19.911 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.162 41.357 21.037 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.685 40.897 22.585 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.325 41.538 22.323 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.056 41.815 21.106 1.00 0.00 H new ATOM 372 N GLU A 24 43.679 40.331 16.763 1.00 0.00 N ATOM 373 CA GLU A 24 44.519 40.635 15.622 1.00 0.00 C ATOM 374 C GLU A 24 44.195 41.994 14.998 1.00 0.00 C ATOM 375 O GLU A 24 45.089 42.810 14.782 1.00 0.00 O ATOM 376 CB GLU A 24 44.355 39.514 14.599 1.00 0.00 C ATOM 377 CG GLU A 24 45.214 39.635 13.343 1.00 0.00 C ATOM 378 CD GLU A 24 46.658 39.191 13.580 1.00 0.00 C ATOM 379 OE1 GLU A 24 47.533 40.036 13.870 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.947 37.981 13.463 1.00 0.00 O ATOM 0 H GLU A 24 43.134 39.477 16.644 1.00 0.00 H new ATOM 0 HA GLU A 24 45.554 40.699 15.957 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.586 38.566 15.085 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.308 39.471 14.299 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.777 39.031 12.548 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.206 40.669 12.999 1.00 0.00 H new ATOM 387 N ASN A 25 42.921 42.287 14.757 1.00 0.00 N ATOM 388 CA ASN A 25 42.472 43.580 14.279 1.00 0.00 C ATOM 389 C ASN A 25 42.753 44.708 15.274 1.00 0.00 C ATOM 390 O ASN A 25 43.127 45.800 14.848 1.00 0.00 O ATOM 391 CB ASN A 25 40.994 43.515 13.909 1.00 0.00 C ATOM 392 CG ASN A 25 40.735 43.188 12.436 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.602 42.725 11.697 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.529 43.445 11.941 1.00 0.00 N ATOM 0 H ASN A 25 42.163 41.618 14.892 1.00 0.00 H new ATOM 0 HA ASN A 25 43.049 43.819 13.385 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.508 42.762 14.529 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.528 44.472 14.146 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.331 43.258 10.958 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.801 43.829 12.544 1.00 0.00 H new ATOM 401 N VAL A 26 42.651 44.469 16.578 1.00 0.00 N ATOM 402 CA VAL A 26 43.011 45.443 17.590 1.00 0.00 C ATOM 403 C VAL A 26 44.516 45.721 17.573 1.00 0.00 C ATOM 404 O VAL A 26 44.912 46.885 17.581 1.00 0.00 O ATOM 405 CB VAL A 26 42.515 45.021 18.970 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.976 45.966 20.076 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.989 44.989 19.013 1.00 0.00 C ATOM 0 H VAL A 26 42.313 43.586 16.960 1.00 0.00 H new ATOM 0 HA VAL A 26 42.509 46.381 17.351 1.00 0.00 H new ATOM 0 HB VAL A 26 42.936 44.031 19.141 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.594 45.617 21.035 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.065 45.988 20.105 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.598 46.969 19.878 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.659 44.685 20.007 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.598 45.981 18.788 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.619 44.277 18.275 1.00 0.00 H new ATOM 417 N LYS A 27 45.353 44.698 17.434 1.00 0.00 N ATOM 418 CA LYS A 27 46.787 44.851 17.280 1.00 0.00 C ATOM 419 C LYS A 27 47.171 45.681 16.055 1.00 0.00 C ATOM 420 O LYS A 27 48.101 46.479 16.147 1.00 0.00 O ATOM 421 CB LYS A 27 47.471 43.487 17.248 1.00 0.00 C ATOM 422 CG LYS A 27 47.489 42.811 18.615 1.00 0.00 C ATOM 423 CD LYS A 27 47.974 41.369 18.500 1.00 0.00 C ATOM 424 CE LYS A 27 47.970 40.734 19.888 1.00 0.00 C ATOM 425 NZ LYS A 27 48.395 39.326 19.850 1.00 0.00 N ATOM 0 H LYS A 27 45.045 43.726 17.426 1.00 0.00 H new ATOM 0 HA LYS A 27 47.139 45.405 18.150 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.957 42.843 16.534 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.494 43.605 16.891 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.140 43.365 19.291 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.489 42.830 19.048 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.328 40.806 17.826 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.978 41.342 18.076 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.633 41.296 20.546 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.969 40.799 20.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.982 38.817 20.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.072 38.890 18.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.432 39.275 19.903 1.00 0.00 H new ATOM 439 N ALA A 28 46.425 45.584 14.957 1.00 0.00 N ATOM 440 CA ALA A 28 46.618 46.422 13.791 1.00 0.00 C ATOM 441 C ALA A 28 46.241 47.886 14.025 1.00 0.00 C ATOM 442 O ALA A 28 46.886 48.781 13.482 1.00 0.00 O ATOM 443 CB ALA A 28 45.855 45.815 12.616 1.00 0.00 C ATOM 0 H ALA A 28 45.664 44.913 14.857 1.00 0.00 H new ATOM 0 HA ALA A 28 47.684 46.445 13.563 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.993 46.438 11.732 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.233 44.812 12.416 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.794 45.761 12.860 1.00 0.00 H new ATOM 449 N LYS A 29 45.258 48.177 14.871 1.00 0.00 N ATOM 450 CA LYS A 29 44.912 49.529 15.262 1.00 0.00 C ATOM 451 C LYS A 29 45.881 50.130 16.282 1.00 0.00 C ATOM 452 O LYS A 29 46.098 51.339 16.255 1.00 0.00 O ATOM 453 CB LYS A 29 43.463 49.603 15.732 1.00 0.00 C ATOM 454 CG LYS A 29 42.415 49.265 14.674 1.00 0.00 C ATOM 455 CD LYS A 29 42.375 50.246 13.507 1.00 0.00 C ATOM 456 CE LYS A 29 41.380 49.887 12.407 1.00 0.00 C ATOM 457 NZ LYS A 29 39.978 49.927 12.845 1.00 0.00 N ATOM 0 H LYS A 29 44.673 47.465 15.308 1.00 0.00 H new ATOM 0 HA LYS A 29 45.010 50.150 14.371 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.337 48.923 16.575 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.270 50.610 16.103 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.612 48.265 14.288 1.00 0.00 H new ATOM 0 HG3 LYS A 29 41.433 49.237 15.146 1.00 0.00 H new ATOM 0 HD2 LYS A 29 42.130 51.236 13.891 1.00 0.00 H new ATOM 0 HD3 LYS A 29 43.371 50.311 13.070 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.511 50.575 11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.607 48.888 12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.358 49.673 12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.838 49.251 13.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.744 50.886 13.174 1.00 0.00 H new ATOM 471 N ILE A 30 46.521 49.316 17.117 1.00 0.00 N ATOM 472 CA ILE A 30 47.626 49.708 17.967 1.00 0.00 C ATOM 473 C ILE A 30 48.883 49.977 17.136 1.00 0.00 C ATOM 474 O ILE A 30 49.565 50.976 17.353 1.00 0.00 O ATOM 475 CB ILE A 30 47.877 48.647 19.036 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.698 48.519 19.995 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.150 48.936 19.825 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.679 47.199 20.761 1.00 0.00 C ATOM 0 H ILE A 30 46.271 48.332 17.219 1.00 0.00 H new ATOM 0 HA ILE A 30 47.364 50.637 18.473 1.00 0.00 H new ATOM 0 HB ILE A 30 47.999 47.701 18.509 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.728 49.343 20.707 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.770 48.617 19.432 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.296 48.160 20.577 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.003 48.950 19.147 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.062 49.905 20.316 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.814 47.176 21.424 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.618 46.370 20.056 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.591 47.107 21.351 1.00 0.00 H new ATOM 490 N GLN A 31 49.177 49.125 16.159 1.00 0.00 N ATOM 491 CA GLN A 31 50.304 49.272 15.261 1.00 0.00 C ATOM 492 C GLN A 31 50.198 50.550 14.425 1.00 0.00 C ATOM 493 O GLN A 31 51.192 51.260 14.285 1.00 0.00 O ATOM 494 CB GLN A 31 50.415 48.025 14.389 1.00 0.00 C ATOM 495 CG GLN A 31 51.674 48.029 13.528 1.00 0.00 C ATOM 496 CD GLN A 31 51.886 46.707 12.788 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.960 45.956 12.491 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.127 46.383 12.439 1.00 0.00 N ATOM 0 H GLN A 31 48.619 48.292 15.970 1.00 0.00 H new ATOM 0 HA GLN A 31 51.217 49.371 15.848 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.415 47.139 15.024 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.538 47.955 13.745 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.611 48.841 12.803 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.540 48.231 14.158 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.902 47.000 12.681 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.304 45.517 11.929 1.00 0.00 H new ATOM 507 N ASP A 32 49.008 50.890 13.938 1.00 0.00 N ATOM 508 CA ASP A 32 48.730 52.157 13.293 1.00 0.00 C ATOM 509 C ASP A 32 49.161 53.358 14.136 1.00 0.00 C ATOM 510 O ASP A 32 49.698 54.316 13.586 1.00 0.00 O ATOM 511 CB ASP A 32 47.242 52.230 12.962 1.00 0.00 C ATOM 512 CG ASP A 32 46.819 53.625 12.496 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.092 53.974 11.327 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.214 54.366 13.299 1.00 0.00 O ATOM 0 H ASP A 32 48.196 50.274 13.985 1.00 0.00 H new ATOM 0 HA ASP A 32 49.319 52.206 12.377 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.009 51.503 12.184 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.662 51.952 13.842 1.00 0.00 H new ATOM 519 N LYS A 33 48.984 53.316 15.455 1.00 0.00 N ATOM 520 CA LYS A 33 49.398 54.390 16.337 1.00 0.00 C ATOM 521 C LYS A 33 50.896 54.385 16.647 1.00 0.00 C ATOM 522 O LYS A 33 51.561 55.393 16.419 1.00 0.00 O ATOM 523 CB LYS A 33 48.539 54.407 17.597 1.00 0.00 C ATOM 524 CG LYS A 33 47.065 54.733 17.379 1.00 0.00 C ATOM 525 CD LYS A 33 46.837 55.977 16.524 1.00 0.00 C ATOM 526 CE LYS A 33 45.370 56.394 16.491 1.00 0.00 C ATOM 527 NZ LYS A 33 45.148 57.462 15.503 1.00 0.00 N ATOM 0 H LYS A 33 48.547 52.531 15.938 1.00 0.00 H new ATOM 0 HA LYS A 33 49.232 55.324 15.801 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.611 53.432 18.078 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.956 55.137 18.291 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.579 53.881 16.904 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.585 54.874 18.347 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.438 56.799 16.914 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.181 55.785 15.508 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.749 55.532 16.246 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.064 56.738 17.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.143 57.728 15.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.725 58.291 15.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.420 57.123 14.558 1.00 0.00 H new ATOM 541 N GLU A 34 51.425 53.274 17.153 1.00 0.00 N ATOM 542 CA GLU A 34 52.718 53.224 17.806 1.00 0.00 C ATOM 543 C GLU A 34 53.770 52.373 17.092 1.00 0.00 C ATOM 544 O GLU A 34 54.885 52.246 17.589 1.00 0.00 O ATOM 545 CB GLU A 34 52.530 52.789 19.257 1.00 0.00 C ATOM 546 CG GLU A 34 51.784 53.806 20.115 1.00 0.00 C ATOM 547 CD GLU A 34 52.554 55.123 20.239 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.594 55.163 20.931 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.151 56.142 19.636 1.00 0.00 O ATOM 0 H GLU A 34 50.954 52.370 17.117 1.00 0.00 H new ATOM 0 HA GLU A 34 53.128 54.233 17.764 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.986 51.844 19.275 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.508 52.603 19.700 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.803 53.998 19.680 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.616 53.389 21.108 1.00 0.00 H new ATOM 556 N GLY A 35 53.456 51.770 15.948 1.00 0.00 N ATOM 557 CA GLY A 35 54.405 51.040 15.133 1.00 0.00 C ATOM 558 C GLY A 35 54.896 49.710 15.709 1.00 0.00 C ATOM 559 O GLY A 35 55.804 49.101 15.148 1.00 0.00 O ATOM 0 H GLY A 35 52.513 51.779 15.559 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.948 50.847 14.162 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.270 51.679 14.957 1.00 0.00 H new ATOM 563 N ILE A 36 54.299 49.243 16.802 1.00 0.00 N ATOM 564 CA ILE A 36 54.639 48.016 17.492 1.00 0.00 C ATOM 565 C ILE A 36 54.205 46.827 16.634 1.00 0.00 C ATOM 566 O ILE A 36 53.012 46.708 16.362 1.00 0.00 O ATOM 567 CB ILE A 36 53.984 47.960 18.870 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.279 49.182 19.734 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.429 46.700 19.608 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.354 49.328 20.939 1.00 0.00 C ATOM 0 H ILE A 36 53.527 49.740 17.247 1.00 0.00 H new ATOM 0 HA ILE A 36 55.717 47.978 17.646 1.00 0.00 H new ATOM 0 HB ILE A 36 52.908 47.945 18.697 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.310 49.126 20.085 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.200 50.078 19.118 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.957 46.668 20.590 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.136 45.820 19.035 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.513 46.711 19.726 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.628 50.220 21.502 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.323 49.417 20.597 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.449 48.451 21.579 1.00 0.00 H new ATOM 582 N PRO A 37 55.100 45.940 16.210 1.00 0.00 N ATOM 583 CA PRO A 37 54.735 44.813 15.375 1.00 0.00 C ATOM 584 C PRO A 37 53.909 43.791 16.159 1.00 0.00 C ATOM 585 O PRO A 37 54.130 43.617 17.355 1.00 0.00 O ATOM 586 CB PRO A 37 56.055 44.247 14.860 1.00 0.00 C ATOM 587 CG PRO A 37 57.004 44.533 16.021 1.00 0.00 C ATOM 588 CD PRO A 37 56.518 45.897 16.503 1.00 0.00 C ATOM 0 HA PRO A 37 54.095 45.103 14.542 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.984 43.181 14.645 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.377 44.737 13.941 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.933 43.776 16.802 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.045 44.562 15.699 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.700 46.022 17.570 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.047 46.702 15.993 1.00 0.00 H new ATOM 596 N PRO A 38 52.964 43.098 15.530 1.00 0.00 N ATOM 597 CA PRO A 38 51.991 42.290 16.235 1.00 0.00 C ATOM 598 C PRO A 38 52.612 41.109 16.984 1.00 0.00 C ATOM 599 O PRO A 38 52.111 40.736 18.042 1.00 0.00 O ATOM 600 CB PRO A 38 50.982 41.846 15.181 1.00 0.00 C ATOM 601 CG PRO A 38 51.801 41.848 13.893 1.00 0.00 C ATOM 602 CD PRO A 38 52.722 43.047 14.102 1.00 0.00 C ATOM 0 HA PRO A 38 51.513 42.869 17.025 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.579 40.857 15.400 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.135 42.529 15.121 1.00 0.00 H new ATOM 0 HG2 PRO A 38 52.361 40.922 13.764 1.00 0.00 H new ATOM 0 HG3 PRO A 38 51.172 41.966 13.010 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.654 42.928 13.549 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.256 43.967 13.749 1.00 0.00 H new ATOM 610 N ASP A 39 53.750 40.584 16.539 1.00 0.00 N ATOM 611 CA ASP A 39 54.471 39.529 17.222 1.00 0.00 C ATOM 612 C ASP A 39 55.085 39.954 18.558 1.00 0.00 C ATOM 613 O ASP A 39 55.472 39.095 19.346 1.00 0.00 O ATOM 614 CB ASP A 39 55.503 38.911 16.283 1.00 0.00 C ATOM 615 CG ASP A 39 56.558 39.903 15.790 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.234 40.716 14.897 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.712 39.863 16.270 1.00 0.00 O ATOM 0 H ASP A 39 54.201 40.890 15.677 1.00 0.00 H new ATOM 0 HA ASP A 39 53.738 38.769 17.492 1.00 0.00 H new ATOM 0 HB2 ASP A 39 56.002 38.089 16.796 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.988 38.484 15.422 1.00 0.00 H new ATOM 622 N GLN A 40 55.124 41.251 18.850 1.00 0.00 N ATOM 623 CA GLN A 40 55.537 41.819 20.117 1.00 0.00 C ATOM 624 C GLN A 40 54.394 42.417 20.939 1.00 0.00 C ATOM 625 O GLN A 40 54.643 43.062 21.956 1.00 0.00 O ATOM 626 CB GLN A 40 56.657 42.833 19.902 1.00 0.00 C ATOM 627 CG GLN A 40 57.909 42.239 19.262 1.00 0.00 C ATOM 628 CD GLN A 40 59.103 43.183 19.418 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.161 44.257 18.822 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.077 42.856 20.261 1.00 0.00 N ATOM 0 H GLN A 40 54.854 41.964 18.172 1.00 0.00 H new ATOM 0 HA GLN A 40 55.911 40.988 20.716 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.287 43.642 19.272 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.925 43.274 20.862 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.137 41.278 19.724 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.726 42.049 18.204 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.041 41.968 20.762 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.860 43.493 20.407 1.00 0.00 H new ATOM 639 N GLN A 41 53.138 42.230 20.544 1.00 0.00 N ATOM 640 CA GLN A 41 51.982 42.695 21.283 1.00 0.00 C ATOM 641 C GLN A 41 51.341 41.550 22.071 1.00 0.00 C ATOM 642 O GLN A 41 50.555 40.786 21.516 1.00 0.00 O ATOM 643 CB GLN A 41 50.982 43.365 20.346 1.00 0.00 C ATOM 644 CG GLN A 41 51.495 44.650 19.702 1.00 0.00 C ATOM 645 CD GLN A 41 50.388 45.402 18.960 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.282 45.579 19.465 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.602 45.873 17.735 1.00 0.00 N ATOM 0 H GLN A 41 52.897 41.740 19.682 1.00 0.00 H new ATOM 0 HA GLN A 41 52.310 43.442 22.006 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.709 42.661 19.560 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.072 43.589 20.903 1.00 0.00 H new ATOM 0 HG2 GLN A 41 51.920 45.296 20.470 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.299 44.411 19.007 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.510 45.742 17.289 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.858 46.366 17.241 1.00 0.00 H new ATOM 656 N ARG A 42 51.626 41.449 23.366 1.00 0.00 N ATOM 657 CA ARG A 42 50.927 40.582 24.293 1.00 0.00 C ATOM 658 C ARG A 42 49.884 41.386 25.072 1.00 0.00 C ATOM 659 O ARG A 42 50.237 42.059 26.038 1.00 0.00 O ATOM 660 CB ARG A 42 51.921 39.884 25.217 1.00 0.00 C ATOM 661 CG ARG A 42 51.270 38.798 26.068 1.00 0.00 C ATOM 662 CD ARG A 42 52.282 38.238 27.064 1.00 0.00 C ATOM 663 NE ARG A 42 51.759 37.119 27.847 1.00 0.00 N ATOM 664 CZ ARG A 42 52.188 35.850 27.813 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.003 35.372 26.863 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.801 35.016 28.788 1.00 0.00 N ATOM 0 H ARG A 42 52.373 41.986 23.807 1.00 0.00 H new ATOM 0 HA ARG A 42 50.400 39.805 23.739 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.718 39.442 24.619 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.384 40.623 25.870 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.412 39.208 26.601 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.896 37.998 25.428 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.171 37.912 26.524 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.594 39.033 27.741 1.00 0.00 H new ATOM 0 HE ARG A 42 50.989 37.326 28.484 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.329 35.984 26.115 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.298 34.396 26.888 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.193 35.352 29.535 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.115 34.045 28.783 1.00 0.00 H new ATOM 680 N LEU A 43 48.626 41.345 24.643 1.00 0.00 N ATOM 681 CA LEU A 43 47.559 42.126 25.236 1.00 0.00 C ATOM 682 C LEU A 43 46.996 41.456 26.490 1.00 0.00 C ATOM 683 O LEU A 43 46.471 40.347 26.433 1.00 0.00 O ATOM 684 CB LEU A 43 46.483 42.435 24.199 1.00 0.00 C ATOM 685 CG LEU A 43 46.897 43.533 23.223 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.986 43.523 21.999 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.813 44.924 23.847 1.00 0.00 C ATOM 0 H LEU A 43 48.321 40.760 23.865 1.00 0.00 H new ATOM 0 HA LEU A 43 47.973 43.078 25.566 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.252 41.528 23.641 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.569 42.736 24.710 1.00 0.00 H new ATOM 0 HG LEU A 43 47.931 43.326 22.948 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.292 44.311 21.311 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.058 42.557 21.500 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.956 43.694 22.311 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.117 45.671 23.114 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.788 45.121 24.161 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.474 44.975 24.712 1.00 0.00 H new ATOM 699 N ILE A 44 47.100 42.172 27.606 1.00 0.00 N ATOM 700 CA ILE A 44 46.640 41.783 28.925 1.00 0.00 C ATOM 701 C ILE A 44 45.427 42.621 29.335 1.00 0.00 C ATOM 702 O ILE A 44 45.402 43.832 29.126 1.00 0.00 O ATOM 703 CB ILE A 44 47.770 41.876 29.945 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.045 41.143 29.540 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.315 41.404 31.324 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.897 39.657 29.226 1.00 0.00 C ATOM 0 H ILE A 44 47.535 43.095 27.608 1.00 0.00 H new ATOM 0 HA ILE A 44 46.324 40.740 28.893 1.00 0.00 H new ATOM 0 HB ILE A 44 48.023 42.936 29.984 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.461 41.639 28.663 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.773 41.252 30.344 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.144 41.483 32.027 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.488 42.026 31.667 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.988 40.366 31.264 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.868 39.245 28.951 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.517 39.136 30.105 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.200 39.528 28.398 1.00 0.00 H new ATOM 718 N PHE A 45 44.442 41.983 29.959 1.00 0.00 N ATOM 719 CA PHE A 45 43.267 42.594 30.548 1.00 0.00 C ATOM 720 C PHE A 45 42.941 41.935 31.889 1.00 0.00 C ATOM 721 O PHE A 45 42.732 40.726 31.946 1.00 0.00 O ATOM 722 CB PHE A 45 42.107 42.448 29.568 1.00 0.00 C ATOM 723 CG PHE A 45 40.781 42.976 30.061 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.597 44.354 30.230 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.731 42.096 30.353 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.379 44.851 30.708 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.503 42.595 30.804 1.00 0.00 C ATOM 728 CZ PHE A 45 38.325 43.971 30.988 1.00 0.00 C ATOM 0 H PHE A 45 44.448 40.969 30.071 1.00 0.00 H new ATOM 0 HA PHE A 45 43.449 43.652 30.740 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.365 42.965 28.644 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.991 41.393 29.321 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.399 45.037 29.990 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.869 41.032 30.230 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.252 45.912 30.861 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.690 41.915 31.011 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.380 44.353 31.344 1.00 0.00 H new ATOM 738 N ALA A 46 42.902 42.712 32.969 1.00 0.00 N ATOM 739 CA ALA A 46 42.613 42.258 34.313 1.00 0.00 C ATOM 740 C ALA A 46 43.367 40.998 34.744 1.00 0.00 C ATOM 741 O ALA A 46 42.806 40.111 35.384 1.00 0.00 O ATOM 742 CB ALA A 46 41.099 42.177 34.493 1.00 0.00 C ATOM 0 H ALA A 46 43.079 43.715 32.922 1.00 0.00 H new ATOM 0 HA ALA A 46 43.007 42.999 35.009 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.870 41.836 35.503 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.661 43.162 34.335 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.684 41.475 33.770 1.00 0.00 H new ATOM 748 N GLY A 47 44.644 40.891 34.389 1.00 0.00 N ATOM 749 CA GLY A 47 45.495 39.750 34.663 1.00 0.00 C ATOM 750 C GLY A 47 45.362 38.543 33.732 1.00 0.00 C ATOM 751 O GLY A 47 46.045 37.549 33.967 1.00 0.00 O ATOM 0 H GLY A 47 45.129 41.631 33.882 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.531 40.086 34.635 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.296 39.416 35.681 1.00 0.00 H new ATOM 755 N LYS A 48 44.540 38.606 32.690 1.00 0.00 N ATOM 756 CA LYS A 48 44.333 37.567 31.700 1.00 0.00 C ATOM 757 C LYS A 48 44.929 37.955 30.344 1.00 0.00 C ATOM 758 O LYS A 48 44.923 39.132 29.992 1.00 0.00 O ATOM 759 CB LYS A 48 42.843 37.287 31.530 1.00 0.00 C ATOM 760 CG LYS A 48 42.183 36.770 32.805 1.00 0.00 C ATOM 761 CD LYS A 48 40.720 36.389 32.599 1.00 0.00 C ATOM 762 CE LYS A 48 39.865 37.590 32.207 1.00 0.00 C ATOM 763 NZ LYS A 48 38.443 37.228 32.107 1.00 0.00 N ATOM 0 H LYS A 48 43.970 39.432 32.508 1.00 0.00 H new ATOM 0 HA LYS A 48 44.840 36.671 32.058 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.341 38.201 31.213 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.705 36.555 30.734 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.733 35.901 33.167 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.249 37.534 33.579 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.650 35.626 31.824 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.328 35.949 33.516 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.989 38.383 32.945 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.209 37.987 31.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.889 38.067 31.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.323 36.489 31.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.110 36.872 33.026 1.00 0.00 H new ATOM 777 N GLN A 49 45.377 36.977 29.563 1.00 0.00 N ATOM 778 CA GLN A 49 45.858 37.179 28.211 1.00 0.00 C ATOM 779 C GLN A 49 44.712 37.101 27.200 1.00 0.00 C ATOM 780 O GLN A 49 43.849 36.232 27.305 1.00 0.00 O ATOM 781 CB GLN A 49 46.944 36.147 27.921 1.00 0.00 C ATOM 782 CG GLN A 49 47.700 36.399 26.618 1.00 0.00 C ATOM 783 CD GLN A 49 48.710 35.295 26.298 1.00 0.00 C ATOM 784 OE1 GLN A 49 48.821 34.278 26.977 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.483 35.452 25.227 1.00 0.00 N ATOM 0 H GLN A 49 45.414 36.003 29.864 1.00 0.00 H new ATOM 0 HA GLN A 49 46.284 38.178 28.116 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.655 36.139 28.747 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.490 35.157 27.881 1.00 0.00 H new ATOM 0 HG2 GLN A 49 46.986 36.481 25.799 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.221 37.354 26.684 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.399 36.293 24.656 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.160 34.731 24.977 1.00 0.00 H new ATOM 794 N LEU A 50 44.721 37.980 26.203 1.00 0.00 N ATOM 795 CA LEU A 50 43.763 37.999 25.116 1.00 0.00 C ATOM 796 C LEU A 50 44.363 37.396 23.844 1.00 0.00 C ATOM 797 O LEU A 50 45.499 37.706 23.488 1.00 0.00 O ATOM 798 CB LEU A 50 43.260 39.422 24.889 1.00 0.00 C ATOM 799 CG LEU A 50 42.749 40.167 26.119 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.179 41.511 25.672 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.659 39.403 26.866 1.00 0.00 C ATOM 0 H LEU A 50 45.420 38.720 26.132 1.00 0.00 H new ATOM 0 HA LEU A 50 42.909 37.379 25.387 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.070 40.004 24.449 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.457 39.387 24.153 1.00 0.00 H new ATOM 0 HG LEU A 50 43.591 40.288 26.801 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.809 42.056 26.540 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.960 42.093 25.184 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.360 41.344 24.972 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.336 39.983 27.731 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.810 39.238 26.202 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.051 38.442 27.199 1.00 0.00 H new ATOM 813 N GLU A 51 43.614 36.544 23.152 1.00 0.00 N ATOM 814 CA GLU A 51 44.092 35.722 22.059 1.00 0.00 C ATOM 815 C GLU A 51 43.591 36.178 20.686 1.00 0.00 C ATOM 816 O GLU A 51 42.447 36.597 20.532 1.00 0.00 O ATOM 817 CB GLU A 51 43.732 34.258 22.297 1.00 0.00 C ATOM 818 CG GLU A 51 44.363 33.692 23.566 1.00 0.00 C ATOM 819 CD GLU A 51 44.105 32.189 23.692 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.951 31.386 23.242 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.055 31.801 24.247 1.00 0.00 O ATOM 0 H GLU A 51 42.623 36.406 23.348 1.00 0.00 H new ATOM 0 HA GLU A 51 45.176 35.836 22.042 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.648 34.161 22.361 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.055 33.666 21.441 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.437 33.879 23.556 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.958 34.207 24.437 1.00 0.00 H new ATOM 828 N ASP A 52 44.432 36.039 19.665 1.00 0.00 N ATOM 829 CA ASP A 52 44.198 36.522 18.320 1.00 0.00 C ATOM 830 C ASP A 52 42.984 35.888 17.637 1.00 0.00 C ATOM 831 O ASP A 52 42.308 36.553 16.855 1.00 0.00 O ATOM 832 CB ASP A 52 45.451 36.327 17.471 1.00 0.00 C ATOM 833 CG ASP A 52 46.663 37.051 18.062 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.838 38.264 17.818 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.438 36.418 18.811 1.00 0.00 O ATOM 0 H ASP A 52 45.330 35.566 19.763 1.00 0.00 H new ATOM 0 HA ASP A 52 43.968 37.584 18.410 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.670 35.263 17.387 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.266 36.695 16.462 1.00 0.00 H new ATOM 840 N GLY A 53 42.666 34.638 17.960 1.00 0.00 N ATOM 841 CA GLY A 53 41.482 33.929 17.518 1.00 0.00 C ATOM 842 C GLY A 53 40.180 34.290 18.235 1.00 0.00 C ATOM 843 O GLY A 53 39.205 33.555 18.088 1.00 0.00 O ATOM 0 H GLY A 53 43.258 34.070 18.566 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.350 34.112 16.452 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.656 32.860 17.639 1.00 0.00 H new ATOM 847 N ARG A 54 40.121 35.353 19.033 1.00 0.00 N ATOM 848 CA ARG A 54 38.930 35.809 19.721 1.00 0.00 C ATOM 849 C ARG A 54 38.696 37.309 19.529 1.00 0.00 C ATOM 850 O ARG A 54 39.560 38.027 19.030 1.00 0.00 O ATOM 851 CB ARG A 54 39.017 35.441 21.199 1.00 0.00 C ATOM 852 CG ARG A 54 39.010 33.946 21.508 1.00 0.00 C ATOM 853 CD ARG A 54 37.696 33.273 21.120 1.00 0.00 C ATOM 854 NE ARG A 54 37.716 31.843 21.428 1.00 0.00 N ATOM 855 CZ ARG A 54 38.173 30.855 20.647 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.691 31.078 19.431 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.120 29.585 21.068 1.00 0.00 N ATOM 0 H ARG A 54 40.935 35.938 19.221 1.00 0.00 H new ATOM 0 HA ARG A 54 38.068 35.305 19.283 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.929 35.874 21.610 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.180 35.906 21.721 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.831 33.465 20.977 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.189 33.798 22.573 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.871 33.749 21.650 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.514 33.415 20.055 1.00 0.00 H new ATOM 0 HE ARG A 54 37.341 31.568 22.336 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.749 32.029 19.068 1.00 0.00 H new ATOM 0 HH12 ARG A 54 39.028 30.296 18.869 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.731 29.368 21.985 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.469 28.835 20.471 1.00 0.00 H new ATOM 871 N THR A 55 37.505 37.761 19.908 1.00 0.00 N ATOM 872 CA THR A 55 37.020 39.120 19.767 1.00 0.00 C ATOM 873 C THR A 55 36.828 39.808 21.119 1.00 0.00 C ATOM 874 O THR A 55 36.724 39.138 22.144 1.00 0.00 O ATOM 875 CB THR A 55 35.722 39.174 18.966 1.00 0.00 C ATOM 876 OG1 THR A 55 34.642 38.635 19.696 1.00 0.00 O ATOM 877 CG2 THR A 55 35.781 38.422 17.640 1.00 0.00 C ATOM 0 H THR A 55 36.817 37.149 20.347 1.00 0.00 H new ATOM 0 HA THR A 55 37.790 39.663 19.219 1.00 0.00 H new ATOM 0 HB THR A 55 35.578 40.235 18.764 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.708 37.657 19.704 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.821 38.507 17.130 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.564 38.850 17.014 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.000 37.371 17.827 1.00 0.00 H new ATOM 885 N LEU A 56 36.741 41.135 21.142 1.00 0.00 N ATOM 886 CA LEU A 56 36.527 41.898 22.355 1.00 0.00 C ATOM 887 C LEU A 56 35.283 41.453 23.127 1.00 0.00 C ATOM 888 O LEU A 56 35.322 41.345 24.351 1.00 0.00 O ATOM 889 CB LEU A 56 36.440 43.385 22.024 1.00 0.00 C ATOM 890 CG LEU A 56 37.726 44.015 21.495 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.434 45.444 21.048 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.828 44.068 22.550 1.00 0.00 C ATOM 0 H LEU A 56 36.819 41.712 20.305 1.00 0.00 H new ATOM 0 HA LEU A 56 37.382 41.712 23.005 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.653 43.529 21.283 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.135 43.922 22.922 1.00 0.00 H new ATOM 0 HG LEU A 56 38.072 43.395 20.668 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.348 45.901 20.669 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.681 45.432 20.260 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.064 46.022 21.895 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.720 44.525 22.122 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.490 44.660 23.400 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.062 43.057 22.883 1.00 0.00 H new ATOM 904 N SER A 57 34.203 41.133 22.420 1.00 0.00 N ATOM 905 CA SER A 57 32.961 40.668 23.004 1.00 0.00 C ATOM 906 C SER A 57 33.056 39.271 23.621 1.00 0.00 C ATOM 907 O SER A 57 32.375 39.008 24.610 1.00 0.00 O ATOM 908 CB SER A 57 31.850 40.721 21.959 1.00 0.00 C ATOM 909 OG SER A 57 30.589 40.688 22.590 1.00 0.00 O ATOM 0 H SER A 57 34.172 41.193 21.402 1.00 0.00 H new ATOM 0 HA SER A 57 32.730 41.341 23.830 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.944 41.629 21.363 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.944 39.879 21.273 1.00 0.00 H new ATOM 0 HG SER A 57 29.883 40.724 21.912 1.00 0.00 H new ATOM 915 N ASP A 58 33.935 38.392 23.147 1.00 0.00 N ATOM 916 CA ASP A 58 34.156 37.091 23.745 1.00 0.00 C ATOM 917 C ASP A 58 34.746 37.179 25.153 1.00 0.00 C ATOM 918 O ASP A 58 34.598 36.254 25.948 1.00 0.00 O ATOM 919 CB ASP A 58 35.058 36.227 22.868 1.00 0.00 C ATOM 920 CG ASP A 58 34.477 35.948 21.480 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.313 35.505 21.382 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.199 36.161 20.482 1.00 0.00 O ATOM 0 H ASP A 58 34.517 38.571 22.328 1.00 0.00 H new ATOM 0 HA ASP A 58 33.173 36.627 23.824 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.023 36.721 22.756 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.242 35.279 23.373 1.00 0.00 H new ATOM 927 N TYR A 59 35.362 38.311 25.483 1.00 0.00 N ATOM 928 CA TYR A 59 35.946 38.626 26.771 1.00 0.00 C ATOM 929 C TYR A 59 35.104 39.577 27.626 1.00 0.00 C ATOM 930 O TYR A 59 35.539 39.926 28.721 1.00 0.00 O ATOM 931 CB TYR A 59 37.351 39.167 26.528 1.00 0.00 C ATOM 932 CG TYR A 59 38.278 38.199 25.833 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.620 37.005 26.481 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.809 38.492 24.572 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.510 36.112 25.875 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.725 37.619 23.970 1.00 0.00 C ATOM 937 CZ TYR A 59 40.081 36.424 24.626 1.00 0.00 C ATOM 938 OH TYR A 59 40.982 35.566 24.067 1.00 0.00 O ATOM 0 H TYR A 59 35.470 39.074 24.815 1.00 0.00 H new ATOM 0 HA TYR A 59 35.984 37.711 27.362 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.279 40.076 25.931 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.790 39.449 27.485 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.197 36.774 27.448 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.511 39.395 24.060 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.759 35.183 26.365 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.155 37.861 23.009 1.00 0.00 H new ATOM 0 HH TYR A 59 40.781 34.650 24.350 1.00 0.00 H new ATOM 948 N ASN A 60 33.924 39.984 27.165 1.00 0.00 N ATOM 949 CA ASN A 60 33.042 40.916 27.837 1.00 0.00 C ATOM 950 C ASN A 60 33.697 42.257 28.176 1.00 0.00 C ATOM 951 O ASN A 60 33.422 42.849 29.217 1.00 0.00 O ATOM 952 CB ASN A 60 32.348 40.205 28.996 1.00 0.00 C ATOM 953 CG ASN A 60 31.118 40.921 29.556 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.641 41.936 29.052 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.527 40.385 30.620 1.00 0.00 N ATOM 0 H ASN A 60 33.547 39.656 26.276 1.00 0.00 H new ATOM 0 HA ASN A 60 32.261 41.228 27.144 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.050 39.210 28.665 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.069 40.070 29.803 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.688 40.816 31.008 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.913 39.543 31.048 1.00 0.00 H new ATOM 962 N ILE A 61 34.586 42.756 27.321 1.00 0.00 N ATOM 963 CA ILE A 61 35.296 44.002 27.519 1.00 0.00 C ATOM 964 C ILE A 61 34.370 45.168 27.167 1.00 0.00 C ATOM 965 O ILE A 61 34.038 45.354 25.998 1.00 0.00 O ATOM 966 CB ILE A 61 36.589 44.016 26.707 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.543 42.914 27.158 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.296 45.365 26.813 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.638 42.585 26.147 1.00 0.00 C ATOM 0 H ILE A 61 34.834 42.287 26.450 1.00 0.00 H new ATOM 0 HA ILE A 61 35.586 44.106 28.565 1.00 0.00 H new ATOM 0 HB ILE A 61 36.309 43.840 25.668 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.009 43.213 28.097 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.968 42.011 27.361 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.213 45.343 26.224 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.641 46.150 26.435 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.540 45.567 27.856 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.273 41.793 26.543 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.184 42.253 25.214 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.241 43.474 25.961 1.00 0.00 H new ATOM 981 N GLN A 62 33.943 45.951 28.154 1.00 0.00 N ATOM 982 CA GLN A 62 32.993 47.032 27.990 1.00 0.00 C ATOM 983 C GLN A 62 33.640 48.418 27.980 1.00 0.00 C ATOM 984 O GLN A 62 34.760 48.599 28.451 1.00 0.00 O ATOM 985 CB GLN A 62 31.914 46.933 29.066 1.00 0.00 C ATOM 986 CG GLN A 62 31.026 45.701 28.921 1.00 0.00 C ATOM 987 CD GLN A 62 30.100 45.495 30.121 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.536 46.424 30.695 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.888 44.252 30.544 1.00 0.00 N ATOM 0 H GLN A 62 34.262 45.842 29.117 1.00 0.00 H new ATOM 0 HA GLN A 62 32.541 46.917 27.005 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.390 46.916 30.047 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.291 47.827 29.029 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.426 45.796 28.016 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.654 44.819 28.796 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.348 43.470 30.079 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.265 44.081 31.334 1.00 0.00 H new ATOM 998 N LYS A 63 32.912 49.391 27.440 1.00 0.00 N ATOM 999 CA LYS A 63 33.159 50.819 27.400 1.00 0.00 C ATOM 1000 C LYS A 63 34.176 51.367 28.403 1.00 0.00 C ATOM 1001 O LYS A 63 33.997 51.260 29.614 1.00 0.00 O ATOM 1002 CB LYS A 63 31.837 51.569 27.532 1.00 0.00 C ATOM 1003 CG LYS A 63 30.876 51.054 28.599 1.00 0.00 C ATOM 1004 CD LYS A 63 29.727 52.013 28.902 1.00 0.00 C ATOM 1005 CE LYS A 63 28.822 52.301 27.708 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.811 53.317 28.043 1.00 0.00 N ATOM 0 H LYS A 63 32.036 49.166 26.968 1.00 0.00 H new ATOM 0 HA LYS A 63 33.628 50.989 26.431 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.056 52.615 27.744 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.328 51.539 26.569 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.464 50.098 28.274 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.433 50.866 29.517 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.124 51.596 29.709 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.140 52.954 29.266 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.423 52.645 26.867 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.328 51.382 27.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.209 53.494 27.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.224 52.976 28.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.285 54.200 28.322 1.00 0.00 H new ATOM 1020 N GLU A 64 35.217 52.007 27.877 1.00 0.00 N ATOM 1021 CA GLU A 64 36.282 52.661 28.613 1.00 0.00 C ATOM 1022 C GLU A 64 37.146 51.750 29.486 1.00 0.00 C ATOM 1023 O GLU A 64 37.824 52.211 30.401 1.00 0.00 O ATOM 1024 CB GLU A 64 35.777 53.927 29.299 1.00 0.00 C ATOM 1025 CG GLU A 64 35.336 54.987 28.294 1.00 0.00 C ATOM 1026 CD GLU A 64 34.941 56.296 28.980 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.999 56.278 29.801 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.543 57.350 28.682 1.00 0.00 O ATOM 0 H GLU A 64 35.342 52.084 26.868 1.00 0.00 H new ATOM 0 HA GLU A 64 37.010 52.977 27.866 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.941 53.676 29.951 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.565 54.334 29.933 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.145 55.177 27.589 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.491 54.611 27.717 1.00 0.00 H new ATOM 1035 N SER A 65 37.195 50.458 29.173 1.00 0.00 N ATOM 1036 CA SER A 65 38.219 49.548 29.646 1.00 0.00 C ATOM 1037 C SER A 65 39.605 49.875 29.088 1.00 0.00 C ATOM 1038 O SER A 65 39.720 50.476 28.021 1.00 0.00 O ATOM 1039 CB SER A 65 37.882 48.111 29.254 1.00 0.00 C ATOM 1040 OG SER A 65 36.772 47.642 29.986 1.00 0.00 O ATOM 0 H SER A 65 36.505 50.010 28.569 1.00 0.00 H new ATOM 0 HA SER A 65 38.243 49.662 30.730 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.667 48.061 28.187 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.743 47.468 29.437 1.00 0.00 H new ATOM 0 HG SER A 65 35.945 47.920 29.540 1.00 0.00 H new ATOM 1046 N THR A 66 40.657 49.429 29.767 1.00 0.00 N ATOM 1047 CA THR A 66 42.044 49.559 29.368 1.00 0.00 C ATOM 1048 C THR A 66 42.706 48.191 29.184 1.00 0.00 C ATOM 1049 O THR A 66 42.626 47.331 30.059 1.00 0.00 O ATOM 1050 CB THR A 66 42.845 50.389 30.366 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.321 51.696 30.445 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.309 50.585 29.982 1.00 0.00 C ATOM 0 H THR A 66 40.553 48.942 30.657 1.00 0.00 H new ATOM 0 HA THR A 66 42.043 50.079 28.410 1.00 0.00 H new ATOM 0 HB THR A 66 42.776 49.828 31.298 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.842 52.219 31.090 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.808 51.185 30.743 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.799 49.614 29.907 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.368 51.096 29.021 1.00 0.00 H new ATOM 1060 N LEU A 67 43.404 48.022 28.065 1.00 0.00 N ATOM 1061 CA LEU A 67 44.288 46.912 27.767 1.00 0.00 C ATOM 1062 C LEU A 67 45.743 47.293 28.045 1.00 0.00 C ATOM 1063 O LEU A 67 46.104 48.463 27.938 1.00 0.00 O ATOM 1064 CB LEU A 67 44.119 46.466 26.318 1.00 0.00 C ATOM 1065 CG LEU A 67 42.692 46.193 25.849 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.709 45.681 24.411 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.003 45.145 26.719 1.00 0.00 C ATOM 0 H LEU A 67 43.362 48.697 27.302 1.00 0.00 H new ATOM 0 HA LEU A 67 44.022 46.078 28.416 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.549 47.233 25.673 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.706 45.559 26.170 1.00 0.00 H new ATOM 0 HG LEU A 67 42.142 47.131 25.921 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.688 45.488 24.081 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.164 46.431 23.763 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.287 44.759 24.360 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.990 44.978 26.354 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.563 44.211 26.675 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.964 45.497 27.750 1.00 0.00 H new ATOM 1079 N HIS A 68 46.608 46.331 28.352 1.00 0.00 N ATOM 1080 CA HIS A 68 47.990 46.565 28.716 1.00 0.00 C ATOM 1081 C HIS A 68 48.960 45.720 27.887 1.00 0.00 C ATOM 1082 O HIS A 68 48.655 44.580 27.544 1.00 0.00 O ATOM 1083 CB HIS A 68 48.176 46.303 30.208 1.00 0.00 C ATOM 1084 CG HIS A 68 47.417 47.241 31.105 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.973 48.315 31.798 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.085 47.164 31.421 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.978 48.877 32.487 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.830 48.210 32.284 1.00 0.00 N ATOM 0 H HIS A 68 46.354 45.343 28.353 1.00 0.00 H new ATOM 0 HA HIS A 68 48.224 47.607 28.499 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.866 45.281 30.426 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.237 46.372 30.447 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.376 46.431 31.065 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.081 49.746 33.119 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.925 48.438 32.697 1.00 0.00 H new ATOM 1096 N LEU A 69 50.149 46.259 27.629 1.00 0.00 N ATOM 1097 CA LEU A 69 51.305 45.573 27.088 1.00 0.00 C ATOM 1098 C LEU A 69 52.423 45.579 28.133 1.00 0.00 C ATOM 1099 O LEU A 69 52.562 46.556 28.865 1.00 0.00 O ATOM 1100 CB LEU A 69 51.741 46.256 25.795 1.00 0.00 C ATOM 1101 CG LEU A 69 50.713 46.270 24.667 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.213 47.077 23.473 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.407 44.864 24.159 1.00 0.00 C ATOM 0 H LEU A 69 50.336 47.246 27.805 1.00 0.00 H new ATOM 0 HA LEU A 69 51.060 44.537 26.854 1.00 0.00 H new ATOM 0 HB2 LEU A 69 52.013 47.286 26.025 1.00 0.00 H new ATOM 0 HB3 LEU A 69 52.642 45.762 25.432 1.00 0.00 H new ATOM 0 HG LEU A 69 49.815 46.720 25.089 1.00 0.00 H new ATOM 0 HD11 LEU A 69 50.459 47.068 22.686 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.403 48.105 23.782 1.00 0.00 H new ATOM 0 HD13 LEU A 69 52.136 46.635 23.096 1.00 0.00 H new ATOM 0 HD21 LEU A 69 49.671 44.919 23.357 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.321 44.406 23.782 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.010 44.261 24.975 1.00 0.00 H new ATOM 1115 N VAL A 70 53.204 44.509 28.247 1.00 0.00 N ATOM 1116 CA VAL A 70 54.056 44.236 29.386 1.00 0.00 C ATOM 1117 C VAL A 70 55.505 43.896 29.035 1.00 0.00 C ATOM 1118 O VAL A 70 55.807 43.448 27.931 1.00 0.00 O ATOM 1119 CB VAL A 70 53.459 43.152 30.280 1.00 0.00 C ATOM 1120 CG1 VAL A 70 52.123 43.585 30.877 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.268 41.808 29.586 1.00 0.00 C ATOM 0 H VAL A 70 53.259 43.791 27.525 1.00 0.00 H new ATOM 0 HA VAL A 70 54.096 45.179 29.931 1.00 0.00 H new ATOM 0 HB VAL A 70 54.199 43.016 31.069 1.00 0.00 H new ATOM 0 HG11 VAL A 70 51.730 42.787 31.507 1.00 0.00 H new ATOM 0 HG12 VAL A 70 52.267 44.483 31.477 1.00 0.00 H new ATOM 0 HG13 VAL A 70 51.416 43.794 30.074 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.840 41.093 30.289 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.595 41.929 28.737 1.00 0.00 H new ATOM 0 HG23 VAL A 70 54.232 41.439 29.236 1.00 0.00 H new ATOM 1131 N LEU A 71 56.411 44.094 29.988 1.00 0.00 N ATOM 1132 CA LEU A 71 57.799 43.681 29.928 1.00 0.00 C ATOM 1133 C LEU A 71 57.970 42.161 29.927 1.00 0.00 C ATOM 1134 O LEU A 71 57.152 41.440 30.496 1.00 0.00 O ATOM 1135 CB LEU A 71 58.542 44.262 31.129 1.00 0.00 C ATOM 1136 CG LEU A 71 58.801 45.764 31.075 1.00 0.00 C ATOM 1137 CD1 LEU A 71 59.157 46.278 32.466 1.00 0.00 C ATOM 1138 CD2 LEU A 71 59.973 46.108 30.160 1.00 0.00 C ATOM 0 H LEU A 71 56.181 44.569 30.861 1.00 0.00 H new ATOM 0 HA LEU A 71 58.207 44.054 28.989 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.970 44.042 32.030 1.00 0.00 H new ATOM 0 HB3 LEU A 71 59.499 43.749 31.226 1.00 0.00 H new ATOM 0 HG LEU A 71 57.890 46.227 30.694 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.341 47.351 32.421 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.331 46.080 33.150 1.00 0.00 H new ATOM 0 HD13 LEU A 71 60.053 45.771 32.823 1.00 0.00 H new ATOM 0 HD21 LEU A 71 60.123 47.188 30.151 1.00 0.00 H new ATOM 0 HD22 LEU A 71 60.876 45.620 30.526 1.00 0.00 H new ATOM 0 HD23 LEU A 71 59.758 45.763 29.149 1.00 0.00 H new ATOM 1150 N ARG A 72 59.066 41.701 29.332 1.00 0.00 N ATOM 1151 CA ARG A 72 59.590 40.351 29.269 1.00 0.00 C ATOM 1152 C ARG A 72 58.706 39.248 28.682 1.00 0.00 C ATOM 1153 O ARG A 72 59.246 38.229 28.257 1.00 0.00 O ATOM 1154 CB ARG A 72 60.197 39.951 30.610 1.00 0.00 C ATOM 1155 CG ARG A 72 61.448 40.764 30.927 1.00 0.00 C ATOM 1156 CD ARG A 72 62.109 40.281 32.215 1.00 0.00 C ATOM 1157 NE ARG A 72 63.393 40.948 32.435 1.00 0.00 N ATOM 1158 CZ ARG A 72 64.609 40.401 32.306 1.00 0.00 C ATOM 1159 NH1 ARG A 72 64.789 39.172 31.800 1.00 0.00 N ATOM 1160 NH2 ARG A 72 65.705 41.076 32.681 1.00 0.00 N ATOM 0 H ARG A 72 59.674 42.344 28.826 1.00 0.00 H new ATOM 0 HA ARG A 72 60.360 40.424 28.501 1.00 0.00 H new ATOM 0 HB2 ARG A 72 59.460 40.094 31.400 1.00 0.00 H new ATOM 0 HB3 ARG A 72 60.446 38.890 30.595 1.00 0.00 H new ATOM 0 HG2 ARG A 72 62.155 40.685 30.101 1.00 0.00 H new ATOM 0 HG3 ARG A 72 61.186 41.818 31.023 1.00 0.00 H new ATOM 0 HD2 ARG A 72 61.448 40.473 33.060 1.00 0.00 H new ATOM 0 HD3 ARG A 72 62.260 39.203 32.167 1.00 0.00 H new ATOM 0 HE ARG A 72 63.358 41.928 32.715 1.00 0.00 H new ATOM 0 HH11 ARG A 72 63.985 38.622 31.499 1.00 0.00 H new ATOM 0 HH12 ARG A 72 65.730 38.788 31.717 1.00 0.00 H new ATOM 0 HH21 ARG A 72 65.618 42.015 33.069 1.00 0.00 H new ATOM 0 HH22 ARG A 72 66.626 40.650 32.578 1.00 0.00 H new ATOM 1174 N LEU A 73 57.396 39.450 28.570 1.00 0.00 N ATOM 1175 CA LEU A 73 56.451 38.583 27.895 1.00 0.00 C ATOM 1176 C LEU A 73 55.772 39.367 26.770 1.00 0.00 C ATOM 1177 O LEU A 73 54.762 40.033 26.991 1.00 0.00 O ATOM 1178 CB LEU A 73 55.450 38.024 28.902 1.00 0.00 C ATOM 1179 CG LEU A 73 56.015 37.063 29.944 1.00 0.00 C ATOM 1180 CD1 LEU A 73 54.906 36.690 30.922 1.00 0.00 C ATOM 1181 CD2 LEU A 73 56.548 35.779 29.316 1.00 0.00 C ATOM 0 H LEU A 73 56.946 40.272 28.973 1.00 0.00 H new ATOM 0 HA LEU A 73 56.963 37.731 27.448 1.00 0.00 H new ATOM 0 HB2 LEU A 73 54.984 38.860 29.423 1.00 0.00 H new ATOM 0 HB3 LEU A 73 54.661 37.510 28.353 1.00 0.00 H new ATOM 0 HG LEU A 73 56.841 37.567 30.445 1.00 0.00 H new ATOM 0 HD11 LEU A 73 55.298 36.003 31.672 1.00 0.00 H new ATOM 0 HD12 LEU A 73 54.536 37.590 31.413 1.00 0.00 H new ATOM 0 HD13 LEU A 73 54.090 36.210 30.381 1.00 0.00 H new ATOM 0 HD21 LEU A 73 56.939 35.127 30.097 1.00 0.00 H new ATOM 0 HD22 LEU A 73 55.741 35.270 28.789 1.00 0.00 H new ATOM 0 HD23 LEU A 73 57.345 36.021 28.613 1.00 0.00 H new ATOM 1193 N ARG A 74 56.322 39.290 25.561 1.00 0.00 N ATOM 1194 CA ARG A 74 55.772 39.889 24.363 1.00 0.00 C ATOM 1195 C ARG A 74 55.373 38.861 23.303 1.00 0.00 C ATOM 1196 O ARG A 74 54.503 39.145 22.483 1.00 0.00 O ATOM 1197 CB ARG A 74 56.707 40.978 23.843 1.00 0.00 C ATOM 1198 CG ARG A 74 56.697 42.207 24.746 1.00 0.00 C ATOM 1199 CD ARG A 74 57.340 43.439 24.114 1.00 0.00 C ATOM 1200 NE ARG A 74 58.794 43.321 23.995 1.00 0.00 N ATOM 1201 CZ ARG A 74 59.651 44.278 23.613 1.00 0.00 C ATOM 1202 NH1 ARG A 74 59.260 45.499 23.223 1.00 0.00 N ATOM 1203 NH2 ARG A 74 60.967 44.030 23.616 1.00 0.00 N ATOM 0 H ARG A 74 57.194 38.789 25.390 1.00 0.00 H new ATOM 0 HA ARG A 74 54.830 40.369 24.629 1.00 0.00 H new ATOM 0 HB2 ARG A 74 57.721 40.585 23.774 1.00 0.00 H new ATOM 0 HB3 ARG A 74 56.407 41.264 22.835 1.00 0.00 H new ATOM 0 HG2 ARG A 74 55.667 42.442 25.013 1.00 0.00 H new ATOM 0 HG3 ARG A 74 57.220 41.970 25.673 1.00 0.00 H new ATOM 0 HD2 ARG A 74 56.911 43.600 23.125 1.00 0.00 H new ATOM 0 HD3 ARG A 74 57.099 44.317 24.713 1.00 0.00 H new ATOM 0 HE ARG A 74 59.198 42.414 24.228 1.00 0.00 H new ATOM 0 HH11 ARG A 74 58.268 45.736 23.207 1.00 0.00 H new ATOM 0 HH12 ARG A 74 59.954 46.191 22.942 1.00 0.00 H new ATOM 0 HH21 ARG A 74 61.313 43.116 23.908 1.00 0.00 H new ATOM 0 HH22 ARG A 74 61.623 44.755 23.326 1.00 0.00 H new ATOM 1217 N GLY A 75 55.932 37.655 23.361 1.00 0.00 N ATOM 1218 CA GLY A 75 55.502 36.477 22.634 1.00 0.00 C ATOM 1219 C GLY A 75 54.417 35.666 23.345 1.00 0.00 C ATOM 1220 O GLY A 75 53.709 36.179 24.208 1.00 0.00 O ATOM 0 H GLY A 75 56.743 37.470 23.952 1.00 0.00 H new ATOM 0 HA2 GLY A 75 55.130 36.782 21.656 1.00 0.00 H new ATOM 0 HA3 GLY A 75 56.366 35.835 22.460 1.00 0.00 H new ATOM 1224 N GLY A 76 54.301 34.392 22.976 1.00 0.00 N ATOM 1225 CA GLY A 76 53.404 33.416 23.559 1.00 0.00 C ATOM 1226 C GLY A 76 51.946 33.506 23.106 1.00 0.00 C ATOM 1227 O GLY A 76 51.681 33.519 21.885 1.00 0.00 O ATOM 1228 OXT GLY A 76 51.051 33.464 23.977 1.00 0.00 O ATOM 0 H GLY A 76 54.864 33.999 22.221 1.00 0.00 H new ATOM 0 HA2 GLY A 76 53.778 32.419 23.324 1.00 0.00 H new ATOM 0 HA3 GLY A 76 53.436 33.521 24.643 1.00 0.00 H new TER 1232 GLY A 76