USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 55 THR OG1 : rot -64:sc= 1.84 USER MOD Set 1.2: A 57 SER OG : rot -16:sc= 0.989 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.22 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 0.782 K(o=0.78,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.328 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 1.01 (180deg=0.0463!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -83:sc= 0.17 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.403 USER MOD Single : A 25 ASN : amide:sc= 0.744 K(o=0.74,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.28 (180deg=1.01) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 1.83 (180deg=1.42) USER MOD Single : A 31 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.69) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 1.18 (180deg=1.14) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 41 GLN : amide:sc= 0.79 K(o=0.79,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 1.21 (180deg=1.14) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.45 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.819 51.558 19.708 1.00 0.00 N ATOM 2 CA MET A 1 33.124 51.445 21.143 1.00 0.00 C ATOM 3 C MET A 1 34.566 51.899 21.380 1.00 0.00 C ATOM 4 O MET A 1 35.464 51.458 20.665 1.00 0.00 O ATOM 5 CB MET A 1 32.904 50.019 21.641 1.00 0.00 C ATOM 6 CG MET A 1 32.997 49.921 23.160 1.00 0.00 C ATOM 7 SD MET A 1 32.587 48.298 23.850 1.00 0.00 S ATOM 8 CE MET A 1 34.071 47.351 23.429 1.00 0.00 C ATOM 0 H1 MET A 1 31.797 51.433 19.559 1.00 0.00 H new ATOM 0 H2 MET A 1 33.107 52.497 19.365 1.00 0.00 H new ATOM 0 H3 MET A 1 33.337 50.824 19.184 1.00 0.00 H new ATOM 0 HA MET A 1 32.448 52.087 21.708 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.925 49.669 21.315 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.645 49.359 21.190 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.010 50.183 23.464 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.331 50.664 23.598 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.965 46.328 23.791 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.202 47.341 22.347 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.942 47.812 23.895 1.00 0.00 H new ATOM 20 N GLN A 2 34.796 52.756 22.370 1.00 0.00 N ATOM 21 CA GLN A 2 36.099 53.327 22.651 1.00 0.00 C ATOM 22 C GLN A 2 36.788 52.586 23.799 1.00 0.00 C ATOM 23 O GLN A 2 36.197 52.437 24.865 1.00 0.00 O ATOM 24 CB GLN A 2 35.903 54.810 22.949 1.00 0.00 C ATOM 25 CG GLN A 2 37.224 55.568 23.051 1.00 0.00 C ATOM 26 CD GLN A 2 36.966 57.061 23.265 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.997 57.574 24.382 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.653 57.807 22.209 1.00 0.00 N ATOM 0 H GLN A 2 34.067 53.075 23.007 1.00 0.00 H new ATOM 0 HA GLN A 2 36.759 53.219 21.790 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.292 55.257 22.165 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.353 54.919 23.883 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.815 55.172 23.877 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.807 55.420 22.142 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.625 57.389 21.279 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.441 58.797 22.329 1.00 0.00 H new ATOM 37 N ILE A 3 38.040 52.176 23.620 1.00 0.00 N ATOM 38 CA ILE A 3 38.826 51.507 24.637 1.00 0.00 C ATOM 39 C ILE A 3 40.220 52.126 24.761 1.00 0.00 C ATOM 40 O ILE A 3 40.670 52.835 23.864 1.00 0.00 O ATOM 41 CB ILE A 3 38.857 49.993 24.451 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.536 49.490 23.179 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.448 49.412 24.523 1.00 0.00 C ATOM 44 CD1 ILE A 3 41.054 49.369 23.272 1.00 0.00 C ATOM 0 H ILE A 3 38.543 52.305 22.742 1.00 0.00 H new ATOM 0 HA ILE A 3 38.326 51.669 25.592 1.00 0.00 H new ATOM 0 HB ILE A 3 39.477 49.642 25.276 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.122 48.514 22.924 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.288 50.165 22.360 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.493 48.331 24.388 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.010 49.638 25.495 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.833 49.851 23.737 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.449 49.005 22.323 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.484 50.346 23.493 1.00 0.00 H new ATOM 0 HD13 ILE A 3 41.315 48.669 24.066 1.00 0.00 H new ATOM 56 N PHE A 4 40.914 51.835 25.857 1.00 0.00 N ATOM 57 CA PHE A 4 42.247 52.333 26.126 1.00 0.00 C ATOM 58 C PHE A 4 43.250 51.185 26.252 1.00 0.00 C ATOM 59 O PHE A 4 42.904 50.123 26.765 1.00 0.00 O ATOM 60 CB PHE A 4 42.223 53.190 27.389 1.00 0.00 C ATOM 61 CG PHE A 4 41.160 54.262 27.431 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.260 55.385 26.600 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.077 54.147 28.311 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.282 56.385 26.649 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.104 55.152 28.371 1.00 0.00 C ATOM 66 CZ PHE A 4 39.203 56.269 27.533 1.00 0.00 C ATOM 0 H PHE A 4 40.552 51.232 26.596 1.00 0.00 H new ATOM 0 HA PHE A 4 42.572 52.950 25.288 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.086 52.534 28.249 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.197 53.665 27.502 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.094 55.480 25.920 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.992 53.278 28.947 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.360 57.248 26.004 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.279 55.066 29.062 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.448 57.040 27.569 1.00 0.00 H new ATOM 76 N VAL A 5 44.493 51.385 25.825 1.00 0.00 N ATOM 77 CA VAL A 5 45.576 50.432 25.964 1.00 0.00 C ATOM 78 C VAL A 5 46.801 51.120 26.571 1.00 0.00 C ATOM 79 O VAL A 5 47.346 52.045 25.973 1.00 0.00 O ATOM 80 CB VAL A 5 45.931 49.755 24.643 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.911 48.611 24.885 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.711 49.174 23.932 1.00 0.00 C ATOM 0 H VAL A 5 44.778 52.246 25.358 1.00 0.00 H new ATOM 0 HA VAL A 5 45.236 49.643 26.635 1.00 0.00 H new ATOM 0 HB VAL A 5 46.370 50.529 24.013 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.157 48.136 23.935 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.820 49.001 25.342 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.457 47.877 25.551 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.023 48.705 22.999 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.237 48.429 24.572 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.001 49.972 23.717 1.00 0.00 H new ATOM 92 N LYS A 6 47.225 50.683 27.753 1.00 0.00 N ATOM 93 CA LYS A 6 48.282 51.282 28.543 1.00 0.00 C ATOM 94 C LYS A 6 49.575 50.465 28.514 1.00 0.00 C ATOM 95 O LYS A 6 49.534 49.239 28.433 1.00 0.00 O ATOM 96 CB LYS A 6 47.732 51.522 29.946 1.00 0.00 C ATOM 97 CG LYS A 6 48.696 52.257 30.872 1.00 0.00 C ATOM 98 CD LYS A 6 47.967 52.772 32.109 1.00 0.00 C ATOM 99 CE LYS A 6 48.908 53.399 33.133 1.00 0.00 C ATOM 100 NZ LYS A 6 49.583 52.398 33.974 1.00 0.00 N ATOM 0 H LYS A 6 46.818 49.863 28.202 1.00 0.00 H new ATOM 0 HA LYS A 6 48.578 52.239 28.113 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.808 52.096 29.870 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.475 50.562 30.394 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.502 51.588 31.171 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.155 53.091 30.340 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.224 53.510 31.806 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.427 51.948 32.576 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.658 53.996 32.613 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.343 54.080 33.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.209 52.879 34.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.872 51.844 34.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 50.146 51.762 33.373 1.00 0.00 H new ATOM 114 N THR A 7 50.719 51.141 28.559 1.00 0.00 N ATOM 115 CA THR A 7 52.041 50.557 28.450 1.00 0.00 C ATOM 116 C THR A 7 52.891 50.767 29.706 1.00 0.00 C ATOM 117 O THR A 7 52.719 51.737 30.441 1.00 0.00 O ATOM 118 CB THR A 7 52.798 51.070 27.229 1.00 0.00 C ATOM 119 OG1 THR A 7 53.240 52.396 27.411 1.00 0.00 O ATOM 120 CG2 THR A 7 51.957 51.030 25.956 1.00 0.00 C ATOM 0 H THR A 7 50.745 52.154 28.678 1.00 0.00 H new ATOM 0 HA THR A 7 51.871 49.487 28.334 1.00 0.00 H new ATOM 0 HB THR A 7 53.650 50.399 27.118 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.722 52.693 26.611 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.545 51.406 25.119 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.653 50.003 25.753 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.071 51.652 26.085 1.00 0.00 H new ATOM 128 N LEU A 8 53.848 49.875 29.948 1.00 0.00 N ATOM 129 CA LEU A 8 54.763 49.918 31.070 1.00 0.00 C ATOM 130 C LEU A 8 55.655 51.161 31.053 1.00 0.00 C ATOM 131 O LEU A 8 55.932 51.743 32.100 1.00 0.00 O ATOM 132 CB LEU A 8 55.579 48.629 31.038 1.00 0.00 C ATOM 133 CG LEU A 8 56.557 48.447 32.195 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.856 48.356 33.548 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.349 47.158 31.989 1.00 0.00 C ATOM 0 H LEU A 8 54.008 49.072 29.339 1.00 0.00 H new ATOM 0 HA LEU A 8 54.202 49.990 32.002 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.891 47.783 31.029 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.138 48.595 30.103 1.00 0.00 H new ATOM 0 HG LEU A 8 57.206 49.323 32.203 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.599 48.227 34.335 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.292 49.271 33.728 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.175 47.505 33.549 1.00 0.00 H new ATOM 0 HD21 LEU A 8 58.049 47.025 32.814 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.663 46.311 31.955 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.901 47.216 31.051 1.00 0.00 H new ATOM 147 N THR A 9 56.042 51.611 29.862 1.00 0.00 N ATOM 148 CA THR A 9 56.816 52.813 29.621 1.00 0.00 C ATOM 149 C THR A 9 56.026 54.095 29.888 1.00 0.00 C ATOM 150 O THR A 9 56.620 55.165 30.008 1.00 0.00 O ATOM 151 CB THR A 9 57.372 52.782 28.201 1.00 0.00 C ATOM 152 OG1 THR A 9 57.939 51.518 27.933 1.00 0.00 O ATOM 153 CG2 THR A 9 58.487 53.790 27.935 1.00 0.00 C ATOM 0 H THR A 9 55.810 51.118 29.000 1.00 0.00 H new ATOM 0 HA THR A 9 57.642 52.826 30.332 1.00 0.00 H new ATOM 0 HB THR A 9 56.517 53.022 27.569 1.00 0.00 H new ATOM 0 HG1 THR A 9 58.292 51.505 27.019 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.822 53.698 26.902 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.113 54.800 28.107 1.00 0.00 H new ATOM 0 HG23 THR A 9 59.323 53.594 28.606 1.00 0.00 H new ATOM 161 N GLY A 10 54.707 54.015 30.043 1.00 0.00 N ATOM 162 CA GLY A 10 53.877 55.103 30.518 1.00 0.00 C ATOM 163 C GLY A 10 53.188 55.925 29.428 1.00 0.00 C ATOM 164 O GLY A 10 53.075 57.140 29.570 1.00 0.00 O ATOM 0 H GLY A 10 54.179 53.168 29.835 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.113 54.693 31.178 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.493 55.772 31.119 1.00 0.00 H new ATOM 168 N LYS A 11 52.721 55.282 28.360 1.00 0.00 N ATOM 169 CA LYS A 11 51.769 55.842 27.423 1.00 0.00 C ATOM 170 C LYS A 11 50.427 55.117 27.550 1.00 0.00 C ATOM 171 O LYS A 11 50.398 53.921 27.832 1.00 0.00 O ATOM 172 CB LYS A 11 52.332 55.799 26.005 1.00 0.00 C ATOM 173 CG LYS A 11 51.509 56.605 25.005 1.00 0.00 C ATOM 174 CD LYS A 11 52.152 56.635 23.621 1.00 0.00 C ATOM 175 CE LYS A 11 51.334 57.516 22.682 1.00 0.00 C ATOM 176 NZ LYS A 11 51.865 57.500 21.311 1.00 0.00 N ATOM 0 H LYS A 11 53.006 54.332 28.122 1.00 0.00 H new ATOM 0 HA LYS A 11 51.593 56.892 27.658 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.353 56.180 26.015 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.382 54.762 25.672 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.510 56.176 24.930 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.392 57.625 25.372 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.171 57.015 23.693 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.217 55.624 23.219 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.299 57.174 22.674 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.329 58.539 23.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.093 57.681 20.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.591 58.238 21.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.287 56.570 21.113 1.00 0.00 H new ATOM 190 N THR A 12 49.330 55.821 27.289 1.00 0.00 N ATOM 191 CA THR A 12 48.029 55.234 27.047 1.00 0.00 C ATOM 192 C THR A 12 47.527 55.643 25.660 1.00 0.00 C ATOM 193 O THR A 12 47.505 56.822 25.317 1.00 0.00 O ATOM 194 CB THR A 12 47.013 55.567 28.135 1.00 0.00 C ATOM 195 OG1 THR A 12 47.531 55.280 29.415 1.00 0.00 O ATOM 196 CG2 THR A 12 45.752 54.722 27.972 1.00 0.00 C ATOM 0 H THR A 12 49.328 56.840 27.240 1.00 0.00 H new ATOM 0 HA THR A 12 48.145 54.151 27.078 1.00 0.00 H new ATOM 0 HB THR A 12 46.787 56.629 28.040 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.863 55.503 30.096 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.040 54.975 28.758 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.304 54.921 26.999 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.010 53.665 28.043 1.00 0.00 H new ATOM 204 N ILE A 13 47.153 54.642 24.867 1.00 0.00 N ATOM 205 CA ILE A 13 46.662 54.760 23.509 1.00 0.00 C ATOM 206 C ILE A 13 45.139 54.615 23.526 1.00 0.00 C ATOM 207 O ILE A 13 44.629 53.634 24.064 1.00 0.00 O ATOM 208 CB ILE A 13 47.330 53.726 22.607 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.848 53.863 22.545 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.775 53.837 21.190 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.627 53.144 23.644 1.00 0.00 C ATOM 0 H ILE A 13 47.189 53.672 25.180 1.00 0.00 H new ATOM 0 HA ILE A 13 46.913 55.738 23.099 1.00 0.00 H new ATOM 0 HB ILE A 13 47.106 52.753 23.045 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.188 53.488 21.580 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.100 54.923 22.582 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.256 53.096 20.552 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.700 53.659 21.205 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.972 54.835 20.799 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.695 53.310 23.501 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.327 53.533 24.617 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.417 52.075 23.600 1.00 0.00 H new ATOM 223 N THR A 14 44.411 55.556 22.931 1.00 0.00 N ATOM 224 CA THR A 14 42.972 55.491 22.773 1.00 0.00 C ATOM 225 C THR A 14 42.621 54.895 21.409 1.00 0.00 C ATOM 226 O THR A 14 43.124 55.365 20.390 1.00 0.00 O ATOM 227 CB THR A 14 42.342 56.869 22.953 1.00 0.00 C ATOM 228 OG1 THR A 14 42.705 57.417 24.201 1.00 0.00 O ATOM 229 CG2 THR A 14 40.818 56.820 22.924 1.00 0.00 C ATOM 0 H THR A 14 44.821 56.403 22.538 1.00 0.00 H new ATOM 0 HA THR A 14 42.564 54.841 23.547 1.00 0.00 H new ATOM 0 HB THR A 14 42.707 57.475 22.124 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.109 57.069 24.897 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.419 57.826 23.056 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.485 56.421 21.966 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.459 56.179 23.729 1.00 0.00 H new ATOM 237 N LEU A 15 41.776 53.868 21.381 1.00 0.00 N ATOM 238 CA LEU A 15 41.375 53.146 20.191 1.00 0.00 C ATOM 239 C LEU A 15 39.854 53.086 20.036 1.00 0.00 C ATOM 240 O LEU A 15 39.118 53.135 21.019 1.00 0.00 O ATOM 241 CB LEU A 15 41.945 51.731 20.212 1.00 0.00 C ATOM 242 CG LEU A 15 43.463 51.610 20.290 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.865 50.140 20.377 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.169 52.199 19.071 1.00 0.00 C ATOM 0 H LEU A 15 41.337 53.506 22.227 1.00 0.00 H new ATOM 0 HA LEU A 15 41.775 53.691 19.336 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.516 51.203 21.064 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.607 51.214 19.314 1.00 0.00 H new ATOM 0 HG LEU A 15 43.765 52.167 21.177 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.951 50.062 20.432 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.423 49.694 21.268 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.508 49.612 19.493 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.247 52.084 19.184 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.840 51.677 18.173 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.925 53.258 18.985 1.00 0.00 H new ATOM 256 N GLU A 16 39.388 52.924 18.801 1.00 0.00 N ATOM 257 CA GLU A 16 37.995 52.761 18.438 1.00 0.00 C ATOM 258 C GLU A 16 37.774 51.400 17.773 1.00 0.00 C ATOM 259 O GLU A 16 38.489 51.014 16.852 1.00 0.00 O ATOM 260 CB GLU A 16 37.568 53.915 17.535 1.00 0.00 C ATOM 261 CG GLU A 16 37.467 55.259 18.253 1.00 0.00 C ATOM 262 CD GLU A 16 36.240 55.415 19.153 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.410 54.488 19.261 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.041 56.531 19.678 1.00 0.00 O ATOM 0 H GLU A 16 40.007 52.903 17.991 1.00 0.00 H new ATOM 0 HA GLU A 16 37.374 52.785 19.334 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.281 54.005 16.715 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.601 53.678 17.092 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.363 55.401 18.857 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.456 56.054 17.507 1.00 0.00 H new ATOM 271 N VAL A 17 36.812 50.636 18.283 1.00 0.00 N ATOM 272 CA VAL A 17 36.614 49.231 17.989 1.00 0.00 C ATOM 273 C VAL A 17 35.132 48.856 17.962 1.00 0.00 C ATOM 274 O VAL A 17 34.305 49.444 18.655 1.00 0.00 O ATOM 275 CB VAL A 17 37.349 48.342 18.989 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.859 48.353 18.769 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.077 48.713 20.444 1.00 0.00 C ATOM 0 H VAL A 17 36.123 51.001 18.940 1.00 0.00 H new ATOM 0 HA VAL A 17 37.029 49.063 16.995 1.00 0.00 H new ATOM 0 HB VAL A 17 36.953 47.343 18.804 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.338 47.706 19.504 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.083 47.991 17.766 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.235 49.370 18.880 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.630 48.041 21.100 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.396 49.740 20.623 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.010 48.623 20.649 1.00 0.00 H new ATOM 287 N GLU A 18 34.806 47.815 17.200 1.00 0.00 N ATOM 288 CA GLU A 18 33.537 47.127 17.310 1.00 0.00 C ATOM 289 C GLU A 18 33.653 45.965 18.299 1.00 0.00 C ATOM 290 O GLU A 18 34.721 45.362 18.380 1.00 0.00 O ATOM 291 CB GLU A 18 33.092 46.618 15.942 1.00 0.00 C ATOM 292 CG GLU A 18 32.871 47.709 14.899 1.00 0.00 C ATOM 293 CD GLU A 18 31.751 48.680 15.278 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.569 48.274 15.264 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.033 49.856 15.596 1.00 0.00 O ATOM 0 H GLU A 18 35.424 47.428 16.486 1.00 0.00 H new ATOM 0 HA GLU A 18 32.788 47.827 17.680 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.842 45.922 15.567 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.166 46.055 16.062 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.797 48.267 14.763 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.634 47.246 13.941 1.00 0.00 H new ATOM 302 N PRO A 19 32.600 45.561 19.006 1.00 0.00 N ATOM 303 CA PRO A 19 32.627 44.371 19.832 1.00 0.00 C ATOM 304 C PRO A 19 33.030 43.090 19.098 1.00 0.00 C ATOM 305 O PRO A 19 33.565 42.170 19.713 1.00 0.00 O ATOM 306 CB PRO A 19 31.227 44.257 20.428 1.00 0.00 C ATOM 307 CG PRO A 19 30.749 45.706 20.480 1.00 0.00 C ATOM 308 CD PRO A 19 31.366 46.291 19.212 1.00 0.00 C ATOM 0 HA PRO A 19 33.402 44.475 20.591 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.575 43.640 19.809 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.247 43.804 21.419 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.661 45.777 20.474 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.097 46.218 21.377 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.695 46.175 18.361 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.556 47.358 19.325 1.00 0.00 H new ATOM 316 N SER A 20 32.830 43.034 17.784 1.00 0.00 N ATOM 317 CA SER A 20 33.247 41.951 16.915 1.00 0.00 C ATOM 318 C SER A 20 34.667 42.072 16.359 1.00 0.00 C ATOM 319 O SER A 20 35.077 41.207 15.589 1.00 0.00 O ATOM 320 CB SER A 20 32.230 41.801 15.787 1.00 0.00 C ATOM 321 OG SER A 20 32.163 42.976 15.008 1.00 0.00 O ATOM 0 H SER A 20 32.351 43.779 17.279 1.00 0.00 H new ATOM 0 HA SER A 20 33.279 41.055 17.535 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.504 40.956 15.155 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.248 41.581 16.205 1.00 0.00 H new ATOM 0 HG SER A 20 31.506 42.856 14.291 1.00 0.00 H new ATOM 327 N ASP A 21 35.434 43.106 16.694 1.00 0.00 N ATOM 328 CA ASP A 21 36.843 43.152 16.361 1.00 0.00 C ATOM 329 C ASP A 21 37.615 42.101 17.161 1.00 0.00 C ATOM 330 O ASP A 21 37.340 41.868 18.336 1.00 0.00 O ATOM 331 CB ASP A 21 37.453 44.535 16.578 1.00 0.00 C ATOM 332 CG ASP A 21 37.265 45.503 15.409 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.391 45.072 14.243 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.113 46.722 15.645 1.00 0.00 O ATOM 0 H ASP A 21 35.095 43.925 17.199 1.00 0.00 H new ATOM 0 HA ASP A 21 36.925 42.930 15.297 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.013 44.976 17.472 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.520 44.421 16.771 1.00 0.00 H new ATOM 339 N THR A 22 38.593 41.466 16.523 1.00 0.00 N ATOM 340 CA THR A 22 39.468 40.500 17.157 1.00 0.00 C ATOM 341 C THR A 22 40.624 41.160 17.910 1.00 0.00 C ATOM 342 O THR A 22 40.975 42.311 17.660 1.00 0.00 O ATOM 343 CB THR A 22 40.035 39.484 16.170 1.00 0.00 C ATOM 344 OG1 THR A 22 40.824 40.155 15.212 1.00 0.00 O ATOM 345 CG2 THR A 22 38.954 38.695 15.436 1.00 0.00 C ATOM 0 H THR A 22 38.799 41.614 15.535 1.00 0.00 H new ATOM 0 HA THR A 22 38.834 39.977 17.873 1.00 0.00 H new ATOM 0 HB THR A 22 40.625 38.776 16.752 1.00 0.00 H new ATOM 0 HG1 THR A 22 41.191 39.505 14.577 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.422 37.990 14.749 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.347 38.150 16.159 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.320 39.382 14.875 1.00 0.00 H new ATOM 353 N ILE A 23 41.295 40.402 18.774 1.00 0.00 N ATOM 354 CA ILE A 23 42.547 40.824 19.370 1.00 0.00 C ATOM 355 C ILE A 23 43.604 41.096 18.297 1.00 0.00 C ATOM 356 O ILE A 23 44.386 42.036 18.427 1.00 0.00 O ATOM 357 CB ILE A 23 43.011 39.786 20.388 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.955 39.443 21.434 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.313 40.206 21.064 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.328 40.620 22.175 1.00 0.00 C ATOM 0 H ILE A 23 40.981 39.480 19.076 1.00 0.00 H new ATOM 0 HA ILE A 23 42.392 41.765 19.898 1.00 0.00 H new ATOM 0 HB ILE A 23 43.189 38.877 19.814 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.158 38.884 20.944 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.406 38.777 22.170 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.613 39.443 21.782 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.093 40.322 20.311 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.165 41.154 21.582 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.594 40.250 22.891 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.105 41.172 22.704 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.837 41.280 21.460 1.00 0.00 H new ATOM 372 N GLU A 24 43.596 40.358 17.191 1.00 0.00 N ATOM 373 CA GLU A 24 44.468 40.599 16.059 1.00 0.00 C ATOM 374 C GLU A 24 44.145 41.897 15.315 1.00 0.00 C ATOM 375 O GLU A 24 45.067 42.592 14.892 1.00 0.00 O ATOM 376 CB GLU A 24 44.433 39.356 15.175 1.00 0.00 C ATOM 377 CG GLU A 24 45.551 39.307 14.138 1.00 0.00 C ATOM 378 CD GLU A 24 45.640 37.910 13.520 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.635 37.439 12.947 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.710 37.270 13.609 1.00 0.00 O ATOM 0 H GLU A 24 42.970 39.563 17.060 1.00 0.00 H new ATOM 0 HA GLU A 24 45.488 40.761 16.406 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.497 38.470 15.807 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.472 39.313 14.662 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.366 40.046 13.358 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.501 39.567 14.605 1.00 0.00 H new ATOM 387 N ASN A 25 42.881 42.303 15.246 1.00 0.00 N ATOM 388 CA ASN A 25 42.494 43.614 14.768 1.00 0.00 C ATOM 389 C ASN A 25 42.965 44.718 15.718 1.00 0.00 C ATOM 390 O ASN A 25 43.415 45.765 15.259 1.00 0.00 O ATOM 391 CB ASN A 25 40.986 43.732 14.571 1.00 0.00 C ATOM 392 CG ASN A 25 40.367 42.836 13.497 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.034 42.088 12.786 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.048 42.901 13.334 1.00 0.00 N ATOM 0 H ASN A 25 42.092 41.720 15.525 1.00 0.00 H new ATOM 0 HA ASN A 25 42.981 43.740 13.801 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.499 43.512 15.521 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.754 44.768 14.326 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.594 42.331 12.621 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.491 43.521 13.923 1.00 0.00 H new ATOM 401 N VAL A 26 42.916 44.505 17.029 1.00 0.00 N ATOM 402 CA VAL A 26 43.435 45.455 17.993 1.00 0.00 C ATOM 403 C VAL A 26 44.953 45.599 17.860 1.00 0.00 C ATOM 404 O VAL A 26 45.438 46.727 17.828 1.00 0.00 O ATOM 405 CB VAL A 26 43.015 45.134 19.424 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.595 46.126 20.427 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.497 45.204 19.570 1.00 0.00 C ATOM 0 H VAL A 26 42.514 43.667 17.448 1.00 0.00 H new ATOM 0 HA VAL A 26 42.986 46.421 17.760 1.00 0.00 H new ATOM 0 HB VAL A 26 43.390 44.131 19.628 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.270 45.859 21.433 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.684 46.098 20.378 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.247 47.131 20.188 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.219 44.972 20.598 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.153 46.208 19.319 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.033 44.483 18.897 1.00 0.00 H new ATOM 417 N LYS A 27 45.699 44.515 17.667 1.00 0.00 N ATOM 418 CA LYS A 27 47.120 44.572 17.388 1.00 0.00 C ATOM 419 C LYS A 27 47.436 45.364 16.119 1.00 0.00 C ATOM 420 O LYS A 27 48.371 46.163 16.109 1.00 0.00 O ATOM 421 CB LYS A 27 47.720 43.171 17.307 1.00 0.00 C ATOM 422 CG LYS A 27 47.778 42.464 18.659 1.00 0.00 C ATOM 423 CD LYS A 27 48.284 41.035 18.486 1.00 0.00 C ATOM 424 CE LYS A 27 48.300 40.301 19.824 1.00 0.00 C ATOM 425 NZ LYS A 27 48.746 38.910 19.647 1.00 0.00 N ATOM 0 H LYS A 27 45.325 43.567 17.701 1.00 0.00 H new ATOM 0 HA LYS A 27 47.580 45.102 18.222 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.131 42.570 16.614 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.727 43.237 16.895 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.435 43.011 19.335 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.788 42.454 19.115 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.647 40.501 17.781 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.288 41.049 18.061 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.963 40.816 20.519 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.303 40.316 20.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.410 38.333 20.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.359 38.532 18.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.785 38.880 19.612 1.00 0.00 H new ATOM 439 N ALA A 28 46.633 45.202 15.071 1.00 0.00 N ATOM 440 CA ALA A 28 46.764 45.954 13.839 1.00 0.00 C ATOM 441 C ALA A 28 46.469 47.444 14.026 1.00 0.00 C ATOM 442 O ALA A 28 47.206 48.282 13.509 1.00 0.00 O ATOM 443 CB ALA A 28 45.853 45.327 12.790 1.00 0.00 C ATOM 0 H ALA A 28 45.863 44.533 15.060 1.00 0.00 H new ATOM 0 HA ALA A 28 47.800 45.903 13.505 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.939 45.881 11.855 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.147 44.290 12.626 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.821 45.361 13.138 1.00 0.00 H new ATOM 449 N LYS A 29 45.452 47.790 14.808 1.00 0.00 N ATOM 450 CA LYS A 29 45.097 49.147 15.170 1.00 0.00 C ATOM 451 C LYS A 29 46.143 49.820 16.061 1.00 0.00 C ATOM 452 O LYS A 29 46.330 51.029 15.939 1.00 0.00 O ATOM 453 CB LYS A 29 43.716 49.165 15.820 1.00 0.00 C ATOM 454 CG LYS A 29 42.592 49.008 14.800 1.00 0.00 C ATOM 455 CD LYS A 29 41.214 48.943 15.453 1.00 0.00 C ATOM 456 CE LYS A 29 40.142 48.919 14.367 1.00 0.00 C ATOM 457 NZ LYS A 29 38.780 48.973 14.917 1.00 0.00 N ATOM 0 H LYS A 29 44.828 47.097 15.222 1.00 0.00 H new ATOM 0 HA LYS A 29 45.068 49.734 14.252 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.652 48.362 16.554 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.584 50.102 16.361 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.620 49.844 14.102 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.758 48.101 14.218 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.136 48.053 16.077 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.067 49.803 16.106 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.292 49.764 13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.254 48.013 13.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.120 49.291 14.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.501 48.027 15.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.754 49.639 15.715 1.00 0.00 H new ATOM 471 N ILE A 30 46.850 49.067 16.898 1.00 0.00 N ATOM 472 CA ILE A 30 48.001 49.522 17.652 1.00 0.00 C ATOM 473 C ILE A 30 49.184 49.794 16.721 1.00 0.00 C ATOM 474 O ILE A 30 49.798 50.853 16.832 1.00 0.00 O ATOM 475 CB ILE A 30 48.352 48.544 18.770 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.285 48.585 19.862 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.719 48.832 19.382 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.335 47.421 20.848 1.00 0.00 C ATOM 0 H ILE A 30 46.624 48.088 17.072 1.00 0.00 H new ATOM 0 HA ILE A 30 47.747 50.466 18.134 1.00 0.00 H new ATOM 0 HB ILE A 30 48.389 47.550 18.325 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.388 49.518 20.417 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.302 48.602 19.390 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.923 48.110 20.172 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.486 48.754 18.612 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.726 49.839 19.800 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.541 47.535 21.586 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.199 46.483 20.310 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.301 47.413 21.353 1.00 0.00 H new ATOM 490 N GLN A 31 49.499 48.907 15.780 1.00 0.00 N ATOM 491 CA GLN A 31 50.546 49.134 14.805 1.00 0.00 C ATOM 492 C GLN A 31 50.286 50.404 13.993 1.00 0.00 C ATOM 493 O GLN A 31 51.208 51.184 13.766 1.00 0.00 O ATOM 494 CB GLN A 31 50.698 47.923 13.889 1.00 0.00 C ATOM 495 CG GLN A 31 51.957 48.014 13.031 1.00 0.00 C ATOM 496 CD GLN A 31 52.136 46.842 12.065 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.194 46.167 11.655 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.358 46.529 11.642 1.00 0.00 N ATOM 0 H GLN A 31 49.029 48.008 15.678 1.00 0.00 H new ATOM 0 HA GLN A 31 51.482 49.276 15.345 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.733 47.015 14.491 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.823 47.844 13.243 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.929 48.942 12.460 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.827 48.069 13.685 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.162 47.068 11.962 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.491 45.750 10.997 1.00 0.00 H new ATOM 507 N ASP A 32 49.033 50.665 13.631 1.00 0.00 N ATOM 508 CA ASP A 32 48.635 51.830 12.868 1.00 0.00 C ATOM 509 C ASP A 32 48.899 53.169 13.560 1.00 0.00 C ATOM 510 O ASP A 32 48.999 54.187 12.880 1.00 0.00 O ATOM 511 CB ASP A 32 47.160 51.702 12.502 1.00 0.00 C ATOM 512 CG ASP A 32 46.786 52.592 11.315 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.113 52.207 10.172 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.132 53.637 11.529 1.00 0.00 O ATOM 0 H ASP A 32 48.252 50.054 13.869 1.00 0.00 H new ATOM 0 HA ASP A 32 49.262 51.846 11.977 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.935 50.663 12.262 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.548 51.970 13.363 1.00 0.00 H new ATOM 519 N LYS A 33 49.055 53.183 14.881 1.00 0.00 N ATOM 520 CA LYS A 33 49.403 54.355 15.659 1.00 0.00 C ATOM 521 C LYS A 33 50.861 54.361 16.119 1.00 0.00 C ATOM 522 O LYS A 33 51.564 55.346 15.900 1.00 0.00 O ATOM 523 CB LYS A 33 48.449 54.519 16.840 1.00 0.00 C ATOM 524 CG LYS A 33 47.011 54.727 16.372 1.00 0.00 C ATOM 525 CD LYS A 33 46.132 55.300 17.479 1.00 0.00 C ATOM 526 CE LYS A 33 44.717 55.503 16.945 1.00 0.00 C ATOM 527 NZ LYS A 33 43.900 56.294 17.878 1.00 0.00 N ATOM 0 H LYS A 33 48.937 52.347 15.453 1.00 0.00 H new ATOM 0 HA LYS A 33 49.294 55.214 14.997 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.501 53.636 17.477 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.762 55.369 17.447 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.002 55.401 15.515 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.597 53.777 16.035 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.117 54.624 18.334 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.540 56.248 17.829 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.760 56.007 15.979 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.247 54.534 16.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.991 56.530 17.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.727 55.742 18.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.403 57.171 18.123 1.00 0.00 H new ATOM 541 N GLU A 34 51.318 53.281 16.748 1.00 0.00 N ATOM 542 CA GLU A 34 52.569 53.209 17.474 1.00 0.00 C ATOM 543 C GLU A 34 53.706 52.543 16.694 1.00 0.00 C ATOM 544 O GLU A 34 54.854 52.585 17.128 1.00 0.00 O ATOM 545 CB GLU A 34 52.344 52.476 18.793 1.00 0.00 C ATOM 546 CG GLU A 34 51.224 53.028 19.670 1.00 0.00 C ATOM 547 CD GLU A 34 51.440 54.492 20.055 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.471 54.807 20.689 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.610 55.366 19.724 1.00 0.00 O ATOM 0 H GLU A 34 50.802 52.401 16.762 1.00 0.00 H new ATOM 0 HA GLU A 34 52.888 54.237 17.648 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.129 51.430 18.575 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.273 52.498 19.363 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.275 52.932 19.143 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.148 52.426 20.576 1.00 0.00 H new ATOM 556 N GLY A 35 53.406 51.892 15.573 1.00 0.00 N ATOM 557 CA GLY A 35 54.368 51.223 14.720 1.00 0.00 C ATOM 558 C GLY A 35 54.777 49.813 15.149 1.00 0.00 C ATOM 559 O GLY A 35 55.510 49.160 14.410 1.00 0.00 O ATOM 0 H GLY A 35 52.450 51.817 15.226 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.955 51.170 13.713 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.265 51.839 14.665 1.00 0.00 H new ATOM 563 N ILE A 36 54.314 49.316 16.293 1.00 0.00 N ATOM 564 CA ILE A 36 54.773 48.076 16.885 1.00 0.00 C ATOM 565 C ILE A 36 54.274 46.879 16.075 1.00 0.00 C ATOM 566 O ILE A 36 53.061 46.726 15.944 1.00 0.00 O ATOM 567 CB ILE A 36 54.351 47.981 18.349 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.808 49.183 19.171 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.891 46.700 18.977 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.139 49.301 20.538 1.00 0.00 C ATOM 0 H ILE A 36 53.591 49.781 16.843 1.00 0.00 H new ATOM 0 HA ILE A 36 55.863 48.063 16.861 1.00 0.00 H new ATOM 0 HB ILE A 36 53.261 47.969 18.359 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.887 49.123 19.312 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.611 50.092 18.603 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.581 46.648 20.021 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.499 45.837 18.438 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.980 46.698 18.921 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.521 50.181 21.055 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.061 49.395 20.409 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.357 48.411 21.128 1.00 0.00 H new ATOM 582 N PRO A 37 55.129 45.999 15.561 1.00 0.00 N ATOM 583 CA PRO A 37 54.705 44.862 14.770 1.00 0.00 C ATOM 584 C PRO A 37 53.898 43.863 15.603 1.00 0.00 C ATOM 585 O PRO A 37 54.313 43.558 16.719 1.00 0.00 O ATOM 586 CB PRO A 37 55.979 44.248 14.199 1.00 0.00 C ATOM 587 CG PRO A 37 57.051 44.642 15.211 1.00 0.00 C ATOM 588 CD PRO A 37 56.573 46.013 15.685 1.00 0.00 C ATOM 0 HA PRO A 37 54.032 45.165 13.968 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.895 43.165 14.105 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.202 44.638 13.206 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.115 43.929 16.033 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.040 44.693 14.755 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.874 46.196 16.717 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.009 46.808 15.080 1.00 0.00 H new ATOM 596 N PRO A 38 52.785 43.325 15.111 1.00 0.00 N ATOM 597 CA PRO A 38 51.951 42.380 15.824 1.00 0.00 C ATOM 598 C PRO A 38 52.661 41.173 16.440 1.00 0.00 C ATOM 599 O PRO A 38 52.244 40.724 17.505 1.00 0.00 O ATOM 600 CB PRO A 38 50.885 41.940 14.823 1.00 0.00 C ATOM 601 CG PRO A 38 50.680 43.209 14.000 1.00 0.00 C ATOM 602 CD PRO A 38 52.101 43.757 13.909 1.00 0.00 C ATOM 0 HA PRO A 38 51.547 42.881 16.704 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.222 41.105 14.209 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.967 41.622 15.318 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.261 42.995 13.017 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.003 43.909 14.490 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.606 43.381 13.019 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.094 44.845 13.836 1.00 0.00 H new ATOM 610 N ASP A 39 53.749 40.670 15.864 1.00 0.00 N ATOM 611 CA ASP A 39 54.559 39.610 16.431 1.00 0.00 C ATOM 612 C ASP A 39 55.131 39.973 17.802 1.00 0.00 C ATOM 613 O ASP A 39 55.220 39.111 18.673 1.00 0.00 O ATOM 614 CB ASP A 39 55.685 39.264 15.461 1.00 0.00 C ATOM 615 CG ASP A 39 56.617 38.180 16.007 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.696 38.522 16.536 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.273 36.981 15.929 1.00 0.00 O ATOM 0 H ASP A 39 54.097 41.002 14.964 1.00 0.00 H new ATOM 0 HA ASP A 39 53.914 38.745 16.583 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.256 38.928 14.517 1.00 0.00 H new ATOM 0 HB3 ASP A 39 56.264 40.162 15.246 1.00 0.00 H new ATOM 622 N GLN A 40 55.463 41.239 18.040 1.00 0.00 N ATOM 623 CA GLN A 40 55.934 41.709 19.328 1.00 0.00 C ATOM 624 C GLN A 40 54.806 41.862 20.351 1.00 0.00 C ATOM 625 O GLN A 40 55.094 41.887 21.546 1.00 0.00 O ATOM 626 CB GLN A 40 56.702 43.017 19.176 1.00 0.00 C ATOM 627 CG GLN A 40 58.077 42.827 18.540 1.00 0.00 C ATOM 628 CD GLN A 40 58.932 44.095 18.478 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.491 45.225 18.678 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.224 43.961 18.192 1.00 0.00 N ATOM 0 H GLN A 40 55.410 41.971 17.332 1.00 0.00 H new ATOM 0 HA GLN A 40 56.608 40.944 19.714 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.118 43.707 18.567 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.821 43.479 20.156 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.620 42.066 19.100 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.945 42.444 17.528 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.615 43.035 18.022 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.824 44.785 18.143 1.00 0.00 H new ATOM 639 N GLN A 41 53.543 41.967 19.948 1.00 0.00 N ATOM 640 CA GLN A 41 52.459 42.363 20.823 1.00 0.00 C ATOM 641 C GLN A 41 51.759 41.176 21.488 1.00 0.00 C ATOM 642 O GLN A 41 51.387 40.217 20.816 1.00 0.00 O ATOM 643 CB GLN A 41 51.424 43.175 20.049 1.00 0.00 C ATOM 644 CG GLN A 41 51.933 44.448 19.379 1.00 0.00 C ATOM 645 CD GLN A 41 50.771 45.231 18.764 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.703 45.365 19.357 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.893 45.762 17.550 1.00 0.00 N ATOM 0 H GLN A 41 53.246 41.776 18.991 1.00 0.00 H new ATOM 0 HA GLN A 41 52.910 42.966 21.611 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.989 42.534 19.282 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.619 43.445 20.733 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.451 45.069 20.110 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.658 44.194 18.606 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.769 45.665 17.037 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.111 46.266 17.133 1.00 0.00 H new ATOM 656 N ARG A 42 51.465 41.272 22.782 1.00 0.00 N ATOM 657 CA ARG A 42 50.497 40.458 23.489 1.00 0.00 C ATOM 658 C ARG A 42 49.561 41.376 24.279 1.00 0.00 C ATOM 659 O ARG A 42 50.033 42.332 24.889 1.00 0.00 O ATOM 660 CB ARG A 42 51.192 39.466 24.417 1.00 0.00 C ATOM 661 CG ARG A 42 52.199 38.528 23.758 1.00 0.00 C ATOM 662 CD ARG A 42 51.584 37.523 22.788 1.00 0.00 C ATOM 663 NE ARG A 42 52.608 36.669 22.186 1.00 0.00 N ATOM 664 CZ ARG A 42 53.353 36.932 21.104 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.245 38.070 20.403 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.264 36.051 20.671 1.00 0.00 N ATOM 0 H ARG A 42 51.920 41.954 23.389 1.00 0.00 H new ATOM 0 HA ARG A 42 49.918 39.880 22.769 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.705 40.027 25.198 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.429 38.862 24.908 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.938 39.125 23.223 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.733 37.983 24.537 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.856 36.906 23.314 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.044 38.054 22.004 1.00 0.00 H new ATOM 0 HE ARG A 42 52.774 35.772 22.642 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.572 38.782 20.687 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.835 38.223 19.586 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.396 35.169 21.166 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.826 36.262 19.846 1.00 0.00 H new ATOM 680 N LEU A 43 48.253 41.134 24.258 1.00 0.00 N ATOM 681 CA LEU A 43 47.264 42.012 24.849 1.00 0.00 C ATOM 682 C LEU A 43 46.610 41.390 26.084 1.00 0.00 C ATOM 683 O LEU A 43 46.177 40.240 26.037 1.00 0.00 O ATOM 684 CB LEU A 43 46.248 42.408 23.782 1.00 0.00 C ATOM 685 CG LEU A 43 45.341 43.574 24.163 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.082 44.906 24.216 1.00 0.00 C ATOM 687 CD2 LEU A 43 44.231 43.710 23.124 1.00 0.00 C ATOM 0 H LEU A 43 47.850 40.306 23.820 1.00 0.00 H new ATOM 0 HA LEU A 43 47.757 42.915 25.209 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.784 42.666 22.868 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.626 41.542 23.553 1.00 0.00 H new ATOM 0 HG LEU A 43 44.949 43.354 25.156 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.386 45.699 24.492 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.880 44.849 24.956 1.00 0.00 H new ATOM 0 HD13 LEU A 43 46.510 45.123 23.237 1.00 0.00 H new ATOM 0 HD21 LEU A 43 43.581 44.542 23.393 1.00 0.00 H new ATOM 0 HD22 LEU A 43 44.671 43.895 22.144 1.00 0.00 H new ATOM 0 HD23 LEU A 43 43.648 42.790 23.092 1.00 0.00 H new ATOM 699 N ILE A 44 46.546 42.145 27.177 1.00 0.00 N ATOM 700 CA ILE A 44 46.139 41.691 28.491 1.00 0.00 C ATOM 701 C ILE A 44 44.942 42.496 29.000 1.00 0.00 C ATOM 702 O ILE A 44 44.902 43.714 28.849 1.00 0.00 O ATOM 703 CB ILE A 44 47.292 41.772 29.488 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.684 41.434 28.960 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.000 40.922 30.722 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.899 40.011 28.449 1.00 0.00 C ATOM 0 H ILE A 44 46.789 43.135 27.163 1.00 0.00 H new ATOM 0 HA ILE A 44 45.842 40.646 28.399 1.00 0.00 H new ATOM 0 HB ILE A 44 47.336 42.834 29.732 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.917 42.125 28.150 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.404 41.622 29.756 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.835 40.994 31.419 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.091 41.282 31.205 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.865 39.882 30.424 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.927 39.900 28.103 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.709 39.302 29.255 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.215 39.813 27.624 1.00 0.00 H new ATOM 718 N PHE A 45 43.998 41.834 29.664 1.00 0.00 N ATOM 719 CA PHE A 45 42.931 42.452 30.427 1.00 0.00 C ATOM 720 C PHE A 45 42.961 41.975 31.881 1.00 0.00 C ATOM 721 O PHE A 45 42.732 40.797 32.149 1.00 0.00 O ATOM 722 CB PHE A 45 41.585 42.133 29.784 1.00 0.00 C ATOM 723 CG PHE A 45 40.370 42.687 30.490 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.297 44.038 30.848 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.278 41.852 30.751 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.136 44.559 31.434 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.115 42.365 31.339 1.00 0.00 C ATOM 728 CZ PHE A 45 38.038 43.724 31.669 1.00 0.00 C ATOM 0 H PHE A 45 43.959 40.815 29.683 1.00 0.00 H new ATOM 0 HA PHE A 45 43.076 43.532 30.424 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.593 42.513 28.762 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.482 41.050 29.720 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.143 44.685 30.671 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.332 40.804 30.497 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.089 45.604 31.704 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.278 41.713 31.538 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.135 44.126 32.103 1.00 0.00 H new ATOM 738 N ALA A 46 43.218 42.883 32.818 1.00 0.00 N ATOM 739 CA ALA A 46 43.241 42.635 34.245 1.00 0.00 C ATOM 740 C ALA A 46 44.007 41.372 34.642 1.00 0.00 C ATOM 741 O ALA A 46 43.507 40.534 35.390 1.00 0.00 O ATOM 742 CB ALA A 46 41.813 42.716 34.778 1.00 0.00 C ATOM 0 H ALA A 46 43.425 43.855 32.586 1.00 0.00 H new ATOM 0 HA ALA A 46 43.825 43.415 34.733 1.00 0.00 H new ATOM 0 HB1 ALA A 46 41.815 42.531 35.852 1.00 0.00 H new ATOM 0 HB2 ALA A 46 41.407 43.708 34.581 1.00 0.00 H new ATOM 0 HB3 ALA A 46 41.196 41.967 34.282 1.00 0.00 H new ATOM 748 N GLY A 47 45.203 41.200 34.086 1.00 0.00 N ATOM 749 CA GLY A 47 46.074 40.071 34.338 1.00 0.00 C ATOM 750 C GLY A 47 45.834 38.802 33.517 1.00 0.00 C ATOM 751 O GLY A 47 46.516 37.815 33.779 1.00 0.00 O ATOM 0 H GLY A 47 45.600 41.869 33.426 1.00 0.00 H new ATOM 0 HA2 GLY A 47 47.101 40.393 34.168 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.992 39.811 35.393 1.00 0.00 H new ATOM 755 N LYS A 48 44.939 38.795 32.533 1.00 0.00 N ATOM 756 CA LYS A 48 44.654 37.661 31.676 1.00 0.00 C ATOM 757 C LYS A 48 44.946 37.962 30.204 1.00 0.00 C ATOM 758 O LYS A 48 44.493 38.982 29.689 1.00 0.00 O ATOM 759 CB LYS A 48 43.219 37.208 31.931 1.00 0.00 C ATOM 760 CG LYS A 48 42.882 35.848 31.329 1.00 0.00 C ATOM 761 CD LYS A 48 42.214 35.916 29.957 1.00 0.00 C ATOM 762 CE LYS A 48 41.976 34.531 29.362 1.00 0.00 C ATOM 763 NZ LYS A 48 43.224 33.873 28.949 1.00 0.00 N ATOM 0 H LYS A 48 44.374 39.613 32.307 1.00 0.00 H new ATOM 0 HA LYS A 48 45.323 36.836 31.922 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.046 37.171 33.007 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.536 37.953 31.524 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.798 35.264 31.245 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.224 35.313 32.014 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.262 36.441 30.044 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.838 36.498 29.279 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.466 33.907 30.096 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.313 34.618 28.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 43.001 32.999 28.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.766 34.512 28.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 43.789 33.641 29.791 1.00 0.00 H new ATOM 777 N GLN A 49 45.673 37.082 29.520 1.00 0.00 N ATOM 778 CA GLN A 49 46.084 37.246 28.140 1.00 0.00 C ATOM 779 C GLN A 49 44.957 36.903 27.164 1.00 0.00 C ATOM 780 O GLN A 49 44.291 35.881 27.314 1.00 0.00 O ATOM 781 CB GLN A 49 47.326 36.404 27.866 1.00 0.00 C ATOM 782 CG GLN A 49 47.946 36.686 26.500 1.00 0.00 C ATOM 783 CD GLN A 49 49.068 35.707 26.148 1.00 0.00 C ATOM 784 OE1 GLN A 49 48.864 34.739 25.419 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.284 35.920 26.644 1.00 0.00 N ATOM 0 H GLN A 49 46.000 36.208 29.931 1.00 0.00 H new ATOM 0 HA GLN A 49 46.327 38.297 27.981 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.067 36.596 28.642 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.064 35.348 27.929 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.171 36.634 25.736 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.339 37.703 26.487 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.454 36.723 27.249 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.046 35.280 26.419 1.00 0.00 H new ATOM 794 N LEU A 50 44.759 37.737 26.147 1.00 0.00 N ATOM 795 CA LEU A 50 43.712 37.609 25.154 1.00 0.00 C ATOM 796 C LEU A 50 44.256 37.027 23.848 1.00 0.00 C ATOM 797 O LEU A 50 45.331 37.419 23.399 1.00 0.00 O ATOM 798 CB LEU A 50 43.043 38.966 24.953 1.00 0.00 C ATOM 799 CG LEU A 50 42.661 39.743 26.210 1.00 0.00 C ATOM 800 CD1 LEU A 50 41.943 41.027 25.806 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.750 38.956 27.147 1.00 0.00 C ATOM 0 H LEU A 50 45.352 38.552 25.991 1.00 0.00 H new ATOM 0 HA LEU A 50 42.958 36.906 25.507 1.00 0.00 H new ATOM 0 HB2 LEU A 50 43.712 39.589 24.360 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.140 38.814 24.361 1.00 0.00 H new ATOM 0 HG LEU A 50 43.587 39.951 26.747 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.667 41.587 26.700 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.604 41.634 25.187 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.044 40.779 25.242 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.515 39.563 28.021 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.828 38.698 26.626 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.255 38.044 27.464 1.00 0.00 H new ATOM 813 N GLU A 51 43.526 36.105 23.227 1.00 0.00 N ATOM 814 CA GLU A 51 43.971 35.332 22.084 1.00 0.00 C ATOM 815 C GLU A 51 43.559 35.919 20.733 1.00 0.00 C ATOM 816 O GLU A 51 42.463 36.449 20.571 1.00 0.00 O ATOM 817 CB GLU A 51 43.523 33.880 22.225 1.00 0.00 C ATOM 818 CG GLU A 51 44.299 33.151 23.318 1.00 0.00 C ATOM 819 CD GLU A 51 43.799 31.719 23.523 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.277 31.417 24.618 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.941 30.874 22.612 1.00 0.00 O ATOM 0 H GLU A 51 42.577 35.872 23.520 1.00 0.00 H new ATOM 0 HA GLU A 51 45.060 35.375 22.087 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.458 33.849 22.453 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.661 33.363 21.275 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.357 33.131 23.058 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.211 33.703 24.254 1.00 0.00 H new ATOM 828 N ASP A 52 44.427 35.773 19.735 1.00 0.00 N ATOM 829 CA ASP A 52 44.361 36.422 18.441 1.00 0.00 C ATOM 830 C ASP A 52 43.072 36.160 17.659 1.00 0.00 C ATOM 831 O ASP A 52 42.594 37.049 16.959 1.00 0.00 O ATOM 832 CB ASP A 52 45.548 35.981 17.591 1.00 0.00 C ATOM 833 CG ASP A 52 46.889 36.504 18.110 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.551 35.800 18.903 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.286 37.624 17.724 1.00 0.00 O ATOM 0 H ASP A 52 45.240 35.162 19.819 1.00 0.00 H new ATOM 0 HA ASP A 52 44.383 37.492 18.648 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.578 34.892 17.558 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.402 36.327 16.568 1.00 0.00 H new ATOM 840 N GLY A 53 42.517 34.956 17.759 1.00 0.00 N ATOM 841 CA GLY A 53 41.307 34.532 17.085 1.00 0.00 C ATOM 842 C GLY A 53 39.994 34.925 17.765 1.00 0.00 C ATOM 843 O GLY A 53 38.936 34.706 17.180 1.00 0.00 O ATOM 0 H GLY A 53 42.921 34.221 18.339 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.311 34.947 16.077 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.331 33.447 16.983 1.00 0.00 H new ATOM 847 N ARG A 54 40.025 35.474 18.976 1.00 0.00 N ATOM 848 CA ARG A 54 38.850 35.840 19.741 1.00 0.00 C ATOM 849 C ARG A 54 38.531 37.334 19.655 1.00 0.00 C ATOM 850 O ARG A 54 39.387 38.154 19.329 1.00 0.00 O ATOM 851 CB ARG A 54 39.010 35.364 21.181 1.00 0.00 C ATOM 852 CG ARG A 54 38.979 33.852 21.386 1.00 0.00 C ATOM 853 CD ARG A 54 37.644 33.194 21.050 1.00 0.00 C ATOM 854 NE ARG A 54 37.599 32.665 19.686 1.00 0.00 N ATOM 855 CZ ARG A 54 36.661 32.877 18.754 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.638 33.725 18.925 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.708 32.254 17.568 1.00 0.00 N ATOM 0 H ARG A 54 40.898 35.680 19.462 1.00 0.00 H new ATOM 0 HA ARG A 54 37.988 35.338 19.302 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.955 35.745 21.567 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.217 35.810 21.782 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.757 33.399 20.772 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.226 33.634 22.425 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.456 32.384 21.755 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.843 33.922 21.179 1.00 0.00 H new ATOM 0 HE ARG A 54 38.375 32.063 19.412 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.547 34.245 19.798 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.950 33.850 18.183 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.468 31.605 17.363 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.984 32.429 16.871 1.00 0.00 H new ATOM 871 N THR A 55 37.278 37.680 19.938 1.00 0.00 N ATOM 872 CA THR A 55 36.738 39.023 19.873 1.00 0.00 C ATOM 873 C THR A 55 36.644 39.700 21.242 1.00 0.00 C ATOM 874 O THR A 55 36.609 39.047 22.284 1.00 0.00 O ATOM 875 CB THR A 55 35.369 39.073 19.200 1.00 0.00 C ATOM 876 OG1 THR A 55 34.399 38.438 20.002 1.00 0.00 O ATOM 877 CG2 THR A 55 35.335 38.425 17.818 1.00 0.00 C ATOM 0 H THR A 55 36.583 36.994 20.232 1.00 0.00 H new ATOM 0 HA THR A 55 37.454 39.575 19.264 1.00 0.00 H new ATOM 0 HB THR A 55 35.151 40.134 19.078 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.615 37.485 20.084 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.329 38.501 17.405 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.037 38.936 17.159 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.615 37.375 17.902 1.00 0.00 H new ATOM 885 N LEU A 56 36.495 41.021 21.244 1.00 0.00 N ATOM 886 CA LEU A 56 36.154 41.779 22.431 1.00 0.00 C ATOM 887 C LEU A 56 34.842 41.310 23.064 1.00 0.00 C ATOM 888 O LEU A 56 34.747 41.251 24.287 1.00 0.00 O ATOM 889 CB LEU A 56 36.110 43.262 22.076 1.00 0.00 C ATOM 890 CG LEU A 56 37.424 43.842 21.561 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.215 45.303 21.174 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.543 43.798 22.597 1.00 0.00 C ATOM 0 H LEU A 56 36.610 41.596 20.410 1.00 0.00 H new ATOM 0 HA LEU A 56 36.923 41.611 23.185 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.341 43.416 21.319 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.805 43.823 22.959 1.00 0.00 H new ATOM 0 HG LEU A 56 37.719 43.229 20.709 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.153 45.720 20.806 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.458 45.368 20.393 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.885 45.867 22.047 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.451 44.225 22.170 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.249 44.374 23.475 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.730 42.764 22.887 1.00 0.00 H new ATOM 904 N SER A 57 33.872 40.893 22.254 1.00 0.00 N ATOM 905 CA SER A 57 32.629 40.294 22.697 1.00 0.00 C ATOM 906 C SER A 57 32.747 38.880 23.267 1.00 0.00 C ATOM 907 O SER A 57 31.826 38.442 23.954 1.00 0.00 O ATOM 908 CB SER A 57 31.583 40.356 21.587 1.00 0.00 C ATOM 909 OG SER A 57 31.886 39.544 20.475 1.00 0.00 O ATOM 0 H SER A 57 33.938 40.968 21.239 1.00 0.00 H new ATOM 0 HA SER A 57 32.308 40.899 23.545 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.617 40.055 21.993 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.481 41.389 21.254 1.00 0.00 H new ATOM 0 HG SER A 57 32.831 39.285 20.507 1.00 0.00 H new ATOM 915 N ASP A 58 33.847 38.167 23.046 1.00 0.00 N ATOM 916 CA ASP A 58 34.144 36.934 23.746 1.00 0.00 C ATOM 917 C ASP A 58 34.726 37.180 25.139 1.00 0.00 C ATOM 918 O ASP A 58 34.499 36.377 26.042 1.00 0.00 O ATOM 919 CB ASP A 58 35.128 36.070 22.963 1.00 0.00 C ATOM 920 CG ASP A 58 34.570 35.595 21.621 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.557 34.864 21.597 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.179 35.906 20.574 1.00 0.00 O ATOM 0 H ASP A 58 34.560 38.436 22.368 1.00 0.00 H new ATOM 0 HA ASP A 58 33.190 36.416 23.846 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.043 36.637 22.790 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.400 35.203 23.565 1.00 0.00 H new ATOM 927 N TYR A 59 35.444 38.283 25.329 1.00 0.00 N ATOM 928 CA TYR A 59 36.095 38.643 26.572 1.00 0.00 C ATOM 929 C TYR A 59 35.336 39.665 27.421 1.00 0.00 C ATOM 930 O TYR A 59 35.876 40.146 28.415 1.00 0.00 O ATOM 931 CB TYR A 59 37.540 39.045 26.291 1.00 0.00 C ATOM 932 CG TYR A 59 38.411 37.932 25.761 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.630 36.788 26.539 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.050 38.069 24.522 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.488 35.777 26.090 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.935 37.080 24.079 1.00 0.00 C ATOM 937 CZ TYR A 59 40.154 35.926 24.858 1.00 0.00 C ATOM 938 OH TYR A 59 41.022 34.965 24.429 1.00 0.00 O ATOM 0 H TYR A 59 35.590 38.972 24.591 1.00 0.00 H new ATOM 0 HA TYR A 59 36.093 37.756 27.205 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.542 39.864 25.572 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.982 39.428 27.211 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.133 36.685 27.492 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.860 38.938 23.909 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.638 34.888 26.685 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.451 37.201 23.138 1.00 0.00 H new ATOM 0 HH TYR A 59 40.522 34.157 24.187 1.00 0.00 H new ATOM 948 N ASN A 60 34.079 39.956 27.096 1.00 0.00 N ATOM 949 CA ASN A 60 33.192 40.811 27.858 1.00 0.00 C ATOM 950 C ASN A 60 33.709 42.238 28.049 1.00 0.00 C ATOM 951 O ASN A 60 33.450 42.852 29.082 1.00 0.00 O ATOM 952 CB ASN A 60 32.773 40.134 29.161 1.00 0.00 C ATOM 953 CG ASN A 60 32.071 38.784 29.008 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.713 38.334 27.922 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.834 38.081 30.112 1.00 0.00 N ATOM 0 H ASN A 60 33.638 39.582 26.256 1.00 0.00 H new ATOM 0 HA ASN A 60 32.293 40.945 27.257 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.660 39.994 29.778 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.110 40.809 29.703 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.360 37.180 30.051 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.126 38.443 31.020 1.00 0.00 H new ATOM 962 N ILE A 61 34.454 42.783 27.091 1.00 0.00 N ATOM 963 CA ILE A 61 35.052 44.099 27.189 1.00 0.00 C ATOM 964 C ILE A 61 34.003 45.190 26.967 1.00 0.00 C ATOM 965 O ILE A 61 33.151 45.067 26.090 1.00 0.00 O ATOM 966 CB ILE A 61 36.241 44.228 26.241 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.255 43.095 26.367 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.947 45.572 26.396 1.00 0.00 C ATOM 969 CD1 ILE A 61 37.869 42.886 27.749 1.00 0.00 C ATOM 0 H ILE A 61 34.659 42.309 26.211 1.00 0.00 H new ATOM 0 HA ILE A 61 35.439 44.233 28.199 1.00 0.00 H new ATOM 0 HB ILE A 61 35.809 44.162 25.242 1.00 0.00 H new ATOM 0 HG12 ILE A 61 36.770 42.167 26.064 1.00 0.00 H new ATOM 0 HG13 ILE A 61 38.063 43.278 25.658 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.787 45.624 25.704 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.247 46.378 26.177 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.312 45.676 27.418 1.00 0.00 H new ATOM 0 HD11 ILE A 61 38.573 42.054 27.713 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.393 43.792 28.055 1.00 0.00 H new ATOM 0 HD13 ILE A 61 37.080 42.663 28.468 1.00 0.00 H new ATOM 981 N GLN A 62 34.074 46.261 27.755 1.00 0.00 N ATOM 982 CA GLN A 62 33.153 47.380 27.748 1.00 0.00 C ATOM 983 C GLN A 62 33.850 48.693 27.387 1.00 0.00 C ATOM 984 O GLN A 62 35.077 48.777 27.403 1.00 0.00 O ATOM 985 CB GLN A 62 32.500 47.488 29.122 1.00 0.00 C ATOM 986 CG GLN A 62 31.803 46.229 29.630 1.00 0.00 C ATOM 987 CD GLN A 62 30.590 45.765 28.820 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.071 46.432 27.929 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.056 44.591 29.147 1.00 0.00 N ATOM 0 H GLN A 62 34.815 46.371 28.448 1.00 0.00 H new ATOM 0 HA GLN A 62 32.397 47.201 26.984 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.264 47.773 29.845 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.770 48.297 29.093 1.00 0.00 H new ATOM 0 HG2 GLN A 62 32.531 45.418 29.654 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.485 46.403 30.658 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.477 44.027 29.885 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.225 44.255 28.659 1.00 0.00 H new ATOM 998 N LYS A 63 33.087 49.749 27.119 1.00 0.00 N ATOM 999 CA LYS A 63 33.591 51.106 27.051 1.00 0.00 C ATOM 1000 C LYS A 63 34.144 51.585 28.395 1.00 0.00 C ATOM 1001 O LYS A 63 33.822 51.024 29.439 1.00 0.00 O ATOM 1002 CB LYS A 63 32.542 52.053 26.477 1.00 0.00 C ATOM 1003 CG LYS A 63 31.256 52.246 27.277 1.00 0.00 C ATOM 1004 CD LYS A 63 31.301 53.306 28.374 1.00 0.00 C ATOM 1005 CE LYS A 63 29.919 53.384 29.016 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.838 54.408 30.069 1.00 0.00 N ATOM 0 H LYS A 63 32.085 49.678 26.941 1.00 0.00 H new ATOM 0 HA LYS A 63 34.436 51.109 26.363 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.007 53.030 26.345 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.270 51.693 25.485 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.456 52.504 26.583 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.988 51.292 27.732 1.00 0.00 H new ATOM 0 HD2 LYS A 63 32.053 53.050 29.120 1.00 0.00 H new ATOM 0 HD3 LYS A 63 31.582 54.273 27.957 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.178 53.600 28.247 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.665 52.412 29.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.879 54.418 30.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.525 54.190 30.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.053 55.341 29.663 1.00 0.00 H new ATOM 1020 N GLU A 64 34.939 52.651 28.384 1.00 0.00 N ATOM 1021 CA GLU A 64 35.573 53.213 29.560 1.00 0.00 C ATOM 1022 C GLU A 64 36.417 52.191 30.324 1.00 0.00 C ATOM 1023 O GLU A 64 36.439 52.165 31.553 1.00 0.00 O ATOM 1024 CB GLU A 64 34.544 53.970 30.393 1.00 0.00 C ATOM 1025 CG GLU A 64 35.100 55.035 31.334 1.00 0.00 C ATOM 1026 CD GLU A 64 35.830 56.173 30.618 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.299 56.717 29.625 1.00 0.00 O ATOM 1028 OE2 GLU A 64 36.924 56.557 31.085 1.00 0.00 O ATOM 0 H GLU A 64 35.163 53.159 27.528 1.00 0.00 H new ATOM 0 HA GLU A 64 36.313 53.951 29.251 1.00 0.00 H new ATOM 0 HB2 GLU A 64 33.836 54.446 29.715 1.00 0.00 H new ATOM 0 HB3 GLU A 64 33.982 53.248 30.985 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.281 55.453 31.919 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.785 54.562 32.038 1.00 0.00 H new ATOM 1035 N SER A 65 37.089 51.304 29.596 1.00 0.00 N ATOM 1036 CA SER A 65 37.898 50.219 30.115 1.00 0.00 C ATOM 1037 C SER A 65 39.310 50.262 29.523 1.00 0.00 C ATOM 1038 O SER A 65 39.494 50.667 28.378 1.00 0.00 O ATOM 1039 CB SER A 65 37.207 48.888 29.829 1.00 0.00 C ATOM 1040 OG SER A 65 37.843 47.804 30.470 1.00 0.00 O ATOM 0 H SER A 65 37.080 51.329 28.576 1.00 0.00 H new ATOM 0 HA SER A 65 38.001 50.329 31.195 1.00 0.00 H new ATOM 0 HB2 SER A 65 36.169 48.943 30.157 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.192 48.713 28.753 1.00 0.00 H new ATOM 0 HG SER A 65 37.366 46.974 30.260 1.00 0.00 H new ATOM 1046 N THR A 66 40.297 49.844 30.311 1.00 0.00 N ATOM 1047 CA THR A 66 41.705 49.922 29.979 1.00 0.00 C ATOM 1048 C THR A 66 42.349 48.535 29.974 1.00 0.00 C ATOM 1049 O THR A 66 42.287 47.797 30.955 1.00 0.00 O ATOM 1050 CB THR A 66 42.456 50.877 30.902 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.827 52.138 30.904 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.899 51.113 30.463 1.00 0.00 C ATOM 0 H THR A 66 40.126 49.429 31.227 1.00 0.00 H new ATOM 0 HA THR A 66 41.776 50.329 28.970 1.00 0.00 H new ATOM 0 HB THR A 66 42.449 50.409 31.886 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.314 52.745 31.500 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.383 51.800 31.157 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.437 50.165 30.457 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.909 51.543 29.461 1.00 0.00 H new ATOM 1060 N LEU A 67 42.991 48.211 28.856 1.00 0.00 N ATOM 1061 CA LEU A 67 43.788 47.029 28.596 1.00 0.00 C ATOM 1062 C LEU A 67 45.274 47.347 28.774 1.00 0.00 C ATOM 1063 O LEU A 67 45.656 48.516 28.777 1.00 0.00 O ATOM 1064 CB LEU A 67 43.503 46.529 27.183 1.00 0.00 C ATOM 1065 CG LEU A 67 42.035 46.414 26.779 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.922 45.832 25.373 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.245 45.512 27.723 1.00 0.00 C ATOM 0 H LEU A 67 42.961 48.825 28.042 1.00 0.00 H new ATOM 0 HA LEU A 67 43.524 46.245 29.306 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.998 47.198 26.479 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.965 45.548 27.070 1.00 0.00 H new ATOM 0 HG LEU A 67 41.620 47.421 26.822 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.871 45.754 25.095 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.437 46.484 24.667 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.377 44.842 25.351 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.207 45.462 27.394 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.677 44.511 27.716 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.286 45.918 28.734 1.00 0.00 H new ATOM 1079 N HIS A 68 46.134 46.336 28.855 1.00 0.00 N ATOM 1080 CA HIS A 68 47.571 46.501 28.931 1.00 0.00 C ATOM 1081 C HIS A 68 48.284 45.786 27.781 1.00 0.00 C ATOM 1082 O HIS A 68 47.918 44.672 27.414 1.00 0.00 O ATOM 1083 CB HIS A 68 48.087 46.053 30.295 1.00 0.00 C ATOM 1084 CG HIS A 68 47.528 46.844 31.444 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.390 46.514 32.179 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.045 48.018 31.932 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.237 47.486 33.082 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.211 48.403 32.964 1.00 0.00 N ATOM 0 H HIS A 68 45.838 45.360 28.870 1.00 0.00 H new ATOM 0 HA HIS A 68 47.799 47.561 28.822 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.843 45.000 30.438 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.174 46.132 30.306 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.925 48.536 31.581 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.439 47.529 33.808 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.317 49.240 33.538 1.00 0.00 H new ATOM 1096 N LEU A 69 49.308 46.421 27.217 1.00 0.00 N ATOM 1097 CA LEU A 69 50.136 45.870 26.163 1.00 0.00 C ATOM 1098 C LEU A 69 51.424 45.283 26.742 1.00 0.00 C ATOM 1099 O LEU A 69 52.114 45.951 27.509 1.00 0.00 O ATOM 1100 CB LEU A 69 50.412 46.966 25.137 1.00 0.00 C ATOM 1101 CG LEU A 69 51.322 46.568 23.977 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.721 45.472 23.103 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.576 47.782 23.088 1.00 0.00 C ATOM 0 H LEU A 69 49.588 47.362 27.494 1.00 0.00 H new ATOM 0 HA LEU A 69 49.618 45.050 25.665 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.460 47.305 24.729 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.859 47.816 25.651 1.00 0.00 H new ATOM 0 HG LEU A 69 52.243 46.190 24.420 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.412 45.231 22.295 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.543 44.582 23.707 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.778 45.819 22.682 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.226 47.497 22.260 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.628 48.150 22.695 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.056 48.567 23.672 1.00 0.00 H new ATOM 1115 N VAL A 70 51.772 44.064 26.341 1.00 0.00 N ATOM 1116 CA VAL A 70 52.987 43.362 26.701 1.00 0.00 C ATOM 1117 C VAL A 70 53.816 43.096 25.442 1.00 0.00 C ATOM 1118 O VAL A 70 53.270 42.800 24.382 1.00 0.00 O ATOM 1119 CB VAL A 70 52.646 42.078 27.454 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.826 41.127 27.622 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.122 42.407 28.849 1.00 0.00 C ATOM 0 H VAL A 70 51.177 43.514 25.722 1.00 0.00 H new ATOM 0 HA VAL A 70 53.590 43.976 27.370 1.00 0.00 H new ATOM 0 HB VAL A 70 51.894 41.580 26.843 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.503 40.239 28.166 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.200 40.835 26.641 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.619 41.626 28.179 1.00 0.00 H new ATOM 0 HG21 VAL A 70 51.883 41.483 29.375 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.884 42.954 29.404 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.224 43.020 28.765 1.00 0.00 H new ATOM 1131 N LEU A 71 55.137 43.195 25.566 1.00 0.00 N ATOM 1132 CA LEU A 71 56.086 42.970 24.493 1.00 0.00 C ATOM 1133 C LEU A 71 56.778 41.611 24.618 1.00 0.00 C ATOM 1134 O LEU A 71 57.557 41.394 25.543 1.00 0.00 O ATOM 1135 CB LEU A 71 57.073 44.131 24.415 1.00 0.00 C ATOM 1136 CG LEU A 71 56.453 45.505 24.175 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.557 46.557 24.118 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.648 45.598 22.882 1.00 0.00 C ATOM 0 H LEU A 71 55.585 43.443 26.448 1.00 0.00 H new ATOM 0 HA LEU A 71 55.542 42.936 23.549 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.641 44.165 25.345 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.784 43.928 23.614 1.00 0.00 H new ATOM 0 HG LEU A 71 55.767 45.676 25.004 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.116 47.539 23.947 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.102 46.564 25.062 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.243 46.321 23.305 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.238 46.603 22.780 1.00 0.00 H new ATOM 0 HD22 LEU A 71 56.297 45.383 22.033 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.833 44.875 22.908 1.00 0.00 H new ATOM 1150 N ARG A 72 56.516 40.707 23.678 1.00 0.00 N ATOM 1151 CA ARG A 72 57.091 39.380 23.590 1.00 0.00 C ATOM 1152 C ARG A 72 58.133 39.326 22.471 1.00 0.00 C ATOM 1153 O ARG A 72 57.798 39.167 21.299 1.00 0.00 O ATOM 1154 CB ARG A 72 55.984 38.342 23.427 1.00 0.00 C ATOM 1155 CG ARG A 72 56.328 36.948 23.946 1.00 0.00 C ATOM 1156 CD ARG A 72 57.651 36.328 23.502 1.00 0.00 C ATOM 1157 NE ARG A 72 57.742 36.129 22.055 1.00 0.00 N ATOM 1158 CZ ARG A 72 58.294 35.075 21.439 1.00 0.00 C ATOM 1159 NH1 ARG A 72 58.873 34.058 22.091 1.00 0.00 N ATOM 1160 NH2 ARG A 72 58.298 35.019 20.100 1.00 0.00 N ATOM 0 H ARG A 72 55.861 40.897 22.919 1.00 0.00 H new ATOM 0 HA ARG A 72 57.616 39.141 24.515 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.094 38.697 23.946 1.00 0.00 H new ATOM 0 HB3 ARG A 72 55.729 38.267 22.370 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.325 36.986 25.035 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.526 36.273 23.649 1.00 0.00 H new ATOM 0 HD2 ARG A 72 58.471 36.969 23.826 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.780 35.368 24.002 1.00 0.00 H new ATOM 0 HE ARG A 72 57.349 36.859 21.461 1.00 0.00 H new ATOM 0 HH11 ARG A 72 58.910 34.061 23.110 1.00 0.00 H new ATOM 0 HH12 ARG A 72 59.277 33.281 21.568 1.00 0.00 H new ATOM 0 HH21 ARG A 72 57.883 35.776 19.557 1.00 0.00 H new ATOM 0 HH22 ARG A 72 58.716 34.220 19.624 1.00 0.00 H new ATOM 1174 N LEU A 73 59.406 39.458 22.831 1.00 0.00 N ATOM 1175 CA LEU A 73 60.502 39.494 21.884 1.00 0.00 C ATOM 1176 C LEU A 73 60.961 38.086 21.500 1.00 0.00 C ATOM 1177 O LEU A 73 61.163 37.238 22.367 1.00 0.00 O ATOM 1178 CB LEU A 73 61.643 40.355 22.418 1.00 0.00 C ATOM 1179 CG LEU A 73 61.396 41.854 22.561 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.729 42.468 21.332 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.569 42.241 23.784 1.00 0.00 C ATOM 0 H LEU A 73 59.703 39.544 23.803 1.00 0.00 H new ATOM 0 HA LEU A 73 60.146 39.959 20.965 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.926 39.967 23.397 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.502 40.218 21.761 1.00 0.00 H new ATOM 0 HG LEU A 73 62.402 42.256 22.681 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.580 43.535 21.494 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.366 42.319 20.460 1.00 0.00 H new ATOM 0 HD13 LEU A 73 59.765 41.988 21.163 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.441 43.323 23.809 1.00 0.00 H new ATOM 0 HD22 LEU A 73 59.592 41.761 23.729 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.083 41.915 24.689 1.00 0.00 H new ATOM 1193 N ARG A 74 61.172 37.844 20.210 1.00 0.00 N ATOM 1194 CA ARG A 74 61.662 36.612 19.625 1.00 0.00 C ATOM 1195 C ARG A 74 63.180 36.433 19.692 1.00 0.00 C ATOM 1196 O ARG A 74 63.762 35.722 18.877 1.00 0.00 O ATOM 1197 CB ARG A 74 61.087 36.449 18.222 1.00 0.00 C ATOM 1198 CG ARG A 74 61.579 37.490 17.220 1.00 0.00 C ATOM 1199 CD ARG A 74 60.946 37.292 15.845 1.00 0.00 C ATOM 1200 NE ARG A 74 61.431 38.296 14.899 1.00 0.00 N ATOM 1201 CZ ARG A 74 60.761 39.357 14.429 1.00 0.00 C ATOM 1202 NH1 ARG A 74 59.501 39.669 14.764 1.00 0.00 N ATOM 1203 NH2 ARG A 74 61.337 40.207 13.569 1.00 0.00 N ATOM 0 H ARG A 74 60.991 38.556 19.502 1.00 0.00 H new ATOM 0 HA ARG A 74 61.299 35.792 20.244 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.340 35.456 17.851 1.00 0.00 H new ATOM 0 HB3 ARG A 74 60.000 36.501 18.279 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.345 38.489 17.588 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.664 37.428 17.134 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.178 36.294 15.473 1.00 0.00 H new ATOM 0 HD3 ARG A 74 59.861 37.357 15.927 1.00 0.00 H new ATOM 0 HE ARG A 74 62.385 38.175 14.559 1.00 0.00 H new ATOM 0 HH11 ARG A 74 58.987 39.080 15.419 1.00 0.00 H new ATOM 0 HH12 ARG A 74 59.057 40.495 14.364 1.00 0.00 H new ATOM 0 HH21 ARG A 74 62.298 40.051 13.264 1.00 0.00 H new ATOM 0 HH22 ARG A 74 60.815 41.011 13.219 1.00 0.00 H new ATOM 1217 N GLY A 75 63.830 37.108 20.637 1.00 0.00 N ATOM 1218 CA GLY A 75 65.265 37.187 20.814 1.00 0.00 C ATOM 1219 C GLY A 75 65.622 38.202 21.901 1.00 0.00 C ATOM 1220 O GLY A 75 64.888 38.323 22.879 1.00 0.00 O ATOM 0 H GLY A 75 63.328 37.648 21.343 1.00 0.00 H new ATOM 0 HA2 GLY A 75 65.658 36.206 21.083 1.00 0.00 H new ATOM 0 HA3 GLY A 75 65.737 37.473 19.874 1.00 0.00 H new ATOM 1224 N GLY A 76 66.719 38.931 21.719 1.00 0.00 N ATOM 1225 CA GLY A 76 67.162 40.039 22.542 1.00 0.00 C ATOM 1226 C GLY A 76 66.848 41.399 21.914 1.00 0.00 C ATOM 1227 O GLY A 76 65.900 42.070 22.376 1.00 0.00 O ATOM 1228 OXT GLY A 76 67.536 41.770 20.938 1.00 0.00 O ATOM 0 H GLY A 76 67.357 38.748 20.945 1.00 0.00 H new ATOM 0 HA2 GLY A 76 66.684 39.975 23.519 1.00 0.00 H new ATOM 0 HA3 GLY A 76 68.236 39.958 22.707 1.00 0.00 H new TER 1232 GLY A 76