USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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= -0.079 X(o=-0.16,f=-0.51) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.0768 X(o=-0.16,f=-0.36) USER MOD Set 2.1: A 25 ASN : amide:sc= -0.0153 K(o=1.9,f=0.66) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 162:sc= 1.9 (180deg=0.963) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -149:sc= 0.851 (180deg=-0.682) USER MOD Set 3.2: A 12 THR OG1 : rot 59:sc= 0.739 USER MOD Single : A 1 MET CE :methyl -161:sc= 0 (180deg=-0.461) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.1 (180deg=0.969) USER MOD Single : A 2 GLN : amide:sc= -0.0379 K(o=-0.038,f=-0.78) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0685 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 2.49 (180deg=2.25) USER MOD Single : A 31 GLN : amide:sc= -0.548 K(o=-0.55,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= 2.5 (180deg=2.31) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 41 GLN : amide:sc= -0.302 K(o=-0.3,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 149:sc= 0.685 USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.06) USER MOD Single : A 65 SER OG : rot -100:sc= 1.15 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 14.163 31.380 16.368 1.00 0.00 N ATOM 2 CA MET A 1 14.194 31.503 17.834 1.00 0.00 C ATOM 3 C MET A 1 15.601 31.937 18.263 1.00 0.00 C ATOM 4 O MET A 1 16.588 31.850 17.532 1.00 0.00 O ATOM 5 CB MET A 1 13.629 30.234 18.482 1.00 0.00 C ATOM 6 CG MET A 1 14.465 28.969 18.271 1.00 0.00 C ATOM 7 SD MET A 1 13.883 27.670 19.379 1.00 0.00 S ATOM 8 CE MET A 1 15.233 26.501 19.098 1.00 0.00 C ATOM 0 H1 MET A 1 13.323 30.837 16.083 1.00 0.00 H new ATOM 0 H2 MET A 1 14.124 32.327 15.941 1.00 0.00 H new ATOM 0 H3 MET A 1 15.020 30.889 16.043 1.00 0.00 H new ATOM 0 HA MET A 1 13.534 32.289 18.201 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.525 30.407 19.553 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.628 30.059 18.089 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.389 28.639 17.235 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.517 29.180 18.462 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.922 25.504 19.411 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.487 26.486 18.038 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.105 26.807 19.675 1.00 0.00 H new ATOM 20 N GLN A 2 15.616 32.353 19.528 1.00 0.00 N ATOM 21 CA GLN A 2 16.795 32.842 20.206 1.00 0.00 C ATOM 22 C GLN A 2 17.248 31.925 21.351 1.00 0.00 C ATOM 23 O GLN A 2 16.362 31.587 22.137 1.00 0.00 O ATOM 24 CB GLN A 2 16.616 34.334 20.513 1.00 0.00 C ATOM 25 CG GLN A 2 16.394 35.242 19.297 1.00 0.00 C ATOM 26 CD GLN A 2 15.648 36.521 19.636 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.638 36.490 20.338 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.977 37.593 18.917 1.00 0.00 N ATOM 0 H GLN A 2 14.783 32.356 20.117 1.00 0.00 H new ATOM 0 HA GLN A 2 17.667 32.791 19.554 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.768 34.448 21.188 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.498 34.684 21.048 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.360 35.497 18.860 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.836 34.693 18.538 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.822 37.584 18.346 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.384 38.423 18.938 1.00 0.00 H new ATOM 37 N ILE A 3 18.525 31.560 21.344 1.00 0.00 N ATOM 38 CA ILE A 3 19.228 30.644 22.219 1.00 0.00 C ATOM 39 C ILE A 3 20.664 31.137 22.455 1.00 0.00 C ATOM 40 O ILE A 3 21.287 31.639 21.528 1.00 0.00 O ATOM 41 CB ILE A 3 19.039 29.164 21.914 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.730 28.691 20.637 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.567 28.750 21.981 1.00 0.00 C ATOM 44 CD1 ILE A 3 19.556 27.211 20.293 1.00 0.00 C ATOM 0 H ILE A 3 19.159 31.945 20.644 1.00 0.00 H new ATOM 0 HA ILE A 3 18.741 30.672 23.194 1.00 0.00 H new ATOM 0 HB ILE A 3 19.559 28.636 22.713 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.356 29.285 19.803 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.796 28.901 20.724 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.477 27.687 21.757 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.180 28.944 22.981 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.994 29.324 21.253 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.088 26.987 19.368 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.959 26.600 21.101 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.497 26.989 20.165 1.00 0.00 H new ATOM 56 N PHE A 4 21.059 31.007 23.711 1.00 0.00 N ATOM 57 CA PHE A 4 22.213 31.687 24.273 1.00 0.00 C ATOM 58 C PHE A 4 23.368 30.714 24.476 1.00 0.00 C ATOM 59 O PHE A 4 23.356 29.832 25.339 1.00 0.00 O ATOM 60 CB PHE A 4 21.675 32.397 25.522 1.00 0.00 C ATOM 61 CG PHE A 4 20.565 33.409 25.348 1.00 0.00 C ATOM 62 CD1 PHE A 4 19.234 33.051 25.116 1.00 0.00 C ATOM 63 CD2 PHE A 4 20.865 34.768 25.428 1.00 0.00 C ATOM 64 CE1 PHE A 4 18.216 33.986 24.916 1.00 0.00 C ATOM 65 CE2 PHE A 4 19.826 35.708 25.389 1.00 0.00 C ATOM 66 CZ PHE A 4 18.488 35.331 25.195 1.00 0.00 C ATOM 0 H PHE A 4 20.575 30.412 24.383 1.00 0.00 H new ATOM 0 HA PHE A 4 22.663 32.436 23.621 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.322 31.632 26.214 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.512 32.901 26.005 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.981 32.001 25.090 1.00 0.00 H new ATOM 0 HD2 PHE A 4 21.890 35.094 25.519 1.00 0.00 H new ATOM 0 HE1 PHE A 4 17.245 33.680 24.556 1.00 0.00 H new ATOM 0 HE2 PHE A 4 20.062 36.755 25.512 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.691 36.057 25.259 1.00 0.00 H new ATOM 76 N VAL A 5 24.493 31.020 23.829 1.00 0.00 N ATOM 77 CA VAL A 5 25.727 30.289 24.050 1.00 0.00 C ATOM 78 C VAL A 5 26.681 31.235 24.772 1.00 0.00 C ATOM 79 O VAL A 5 27.326 32.102 24.182 1.00 0.00 O ATOM 80 CB VAL A 5 26.235 29.914 22.656 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.545 29.126 22.721 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.219 29.300 21.696 1.00 0.00 C ATOM 0 H VAL A 5 24.568 31.774 23.146 1.00 0.00 H new ATOM 0 HA VAL A 5 25.617 29.389 24.654 1.00 0.00 H new ATOM 0 HB VAL A 5 26.438 30.878 22.190 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.872 28.879 21.711 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.309 29.729 23.212 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.389 28.207 23.287 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.704 29.080 20.745 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.825 28.378 22.124 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.402 30.003 21.533 1.00 0.00 H new ATOM 92 N LYS A 6 26.644 31.299 26.105 1.00 0.00 N ATOM 93 CA LYS A 6 27.349 32.228 26.953 1.00 0.00 C ATOM 94 C LYS A 6 28.727 31.632 27.231 1.00 0.00 C ATOM 95 O LYS A 6 28.934 30.425 27.220 1.00 0.00 O ATOM 96 CB LYS A 6 26.606 32.487 28.257 1.00 0.00 C ATOM 97 CG LYS A 6 27.151 33.391 29.357 1.00 0.00 C ATOM 98 CD LYS A 6 26.352 33.426 30.656 1.00 0.00 C ATOM 99 CE LYS A 6 25.157 34.377 30.500 1.00 0.00 C ATOM 100 NZ LYS A 6 25.606 35.771 30.390 1.00 0.00 N ATOM 0 H LYS A 6 26.075 30.649 26.647 1.00 0.00 H new ATOM 0 HA LYS A 6 27.432 33.192 26.451 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.630 32.887 27.983 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.434 31.513 28.714 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.168 33.074 29.588 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.215 34.407 28.966 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.002 32.425 30.907 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.988 33.757 31.477 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.584 34.105 29.614 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.490 34.272 31.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.886 36.401 30.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.502 35.889 30.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.748 36.012 29.388 1.00 0.00 H new ATOM 114 N THR A 7 29.765 32.448 27.423 1.00 0.00 N ATOM 115 CA THR A 7 31.150 32.220 27.775 1.00 0.00 C ATOM 116 C THR A 7 31.266 32.600 29.252 1.00 0.00 C ATOM 117 O THR A 7 30.801 33.666 29.656 1.00 0.00 O ATOM 118 CB THR A 7 31.946 33.248 26.973 1.00 0.00 C ATOM 119 OG1 THR A 7 31.516 32.994 25.660 1.00 0.00 O ATOM 120 CG2 THR A 7 33.439 32.911 27.082 1.00 0.00 C ATOM 0 H THR A 7 29.613 33.451 27.313 1.00 0.00 H new ATOM 0 HA THR A 7 31.490 31.201 27.589 1.00 0.00 H new ATOM 0 HB THR A 7 31.806 34.279 27.298 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.967 33.608 25.043 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.019 33.638 26.513 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.744 32.942 28.128 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.617 31.913 26.682 1.00 0.00 H new ATOM 128 N LEU A 8 32.039 31.808 29.997 1.00 0.00 N ATOM 129 CA LEU A 8 32.327 31.909 31.413 1.00 0.00 C ATOM 130 C LEU A 8 32.702 33.259 32.022 1.00 0.00 C ATOM 131 O LEU A 8 32.387 33.529 33.178 1.00 0.00 O ATOM 132 CB LEU A 8 33.251 30.824 31.951 1.00 0.00 C ATOM 133 CG LEU A 8 34.777 30.791 31.863 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.250 30.254 33.216 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.237 30.092 30.592 1.00 0.00 C ATOM 0 H LEU A 8 32.518 31.011 29.579 1.00 0.00 H new ATOM 0 HA LEU A 8 31.308 31.750 31.765 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.020 30.748 33.014 1.00 0.00 H new ATOM 0 HB3 LEU A 8 32.914 29.899 31.484 1.00 0.00 H new ATOM 0 HG LEU A 8 35.254 31.763 31.732 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.339 30.202 33.227 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.910 30.919 34.010 1.00 0.00 H new ATOM 0 HD13 LEU A 8 34.838 29.258 33.376 1.00 0.00 H new ATOM 0 HD21 LEU A 8 36.326 30.083 30.556 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.865 29.067 30.585 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.849 30.624 29.723 1.00 0.00 H new ATOM 147 N THR A 9 33.238 34.181 31.221 1.00 0.00 N ATOM 148 CA THR A 9 33.760 35.483 31.588 1.00 0.00 C ATOM 149 C THR A 9 32.652 36.522 31.388 1.00 0.00 C ATOM 150 O THR A 9 32.890 37.722 31.462 1.00 0.00 O ATOM 151 CB THR A 9 34.910 35.644 30.598 1.00 0.00 C ATOM 152 OG1 THR A 9 34.509 35.213 29.311 1.00 0.00 O ATOM 153 CG2 THR A 9 36.112 34.713 30.809 1.00 0.00 C ATOM 0 H THR A 9 33.321 34.015 30.218 1.00 0.00 H new ATOM 0 HA THR A 9 34.090 35.597 32.621 1.00 0.00 H new ATOM 0 HB THR A 9 35.172 36.694 30.725 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.253 35.322 28.683 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.867 34.916 30.049 1.00 0.00 H new ATOM 0 HG22 THR A 9 36.537 34.886 31.798 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.787 33.676 30.730 1.00 0.00 H new ATOM 161 N GLY A 10 31.431 36.115 31.054 1.00 0.00 N ATOM 162 CA GLY A 10 30.098 36.685 31.158 1.00 0.00 C ATOM 163 C GLY A 10 29.606 37.192 29.800 1.00 0.00 C ATOM 164 O GLY A 10 28.508 37.688 29.562 1.00 0.00 O ATOM 0 H GLY A 10 31.350 35.196 30.620 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.407 35.934 31.541 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.105 37.506 31.875 1.00 0.00 H new ATOM 168 N LYS A 11 30.423 37.044 28.769 1.00 0.00 N ATOM 169 CA LYS A 11 30.174 37.259 27.350 1.00 0.00 C ATOM 170 C LYS A 11 29.156 36.262 26.810 1.00 0.00 C ATOM 171 O LYS A 11 29.135 35.110 27.239 1.00 0.00 O ATOM 172 CB LYS A 11 31.457 37.173 26.524 1.00 0.00 C ATOM 173 CG LYS A 11 32.601 38.084 26.957 1.00 0.00 C ATOM 174 CD LYS A 11 33.507 38.478 25.786 1.00 0.00 C ATOM 175 CE LYS A 11 34.470 39.587 26.188 1.00 0.00 C ATOM 176 NZ LYS A 11 35.411 39.973 25.119 1.00 0.00 N ATOM 0 H LYS A 11 31.383 36.736 28.923 1.00 0.00 H new ATOM 0 HA LYS A 11 29.772 38.268 27.257 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.812 36.143 26.549 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.212 37.401 25.487 1.00 0.00 H new ATOM 0 HG2 LYS A 11 32.192 38.984 27.415 1.00 0.00 H new ATOM 0 HG3 LYS A 11 33.195 37.580 27.719 1.00 0.00 H new ATOM 0 HD2 LYS A 11 34.070 37.608 25.449 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.897 38.809 24.945 1.00 0.00 H new ATOM 0 HE2 LYS A 11 33.896 40.463 26.488 1.00 0.00 H new ATOM 0 HE3 LYS A 11 35.038 39.264 27.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 36.035 40.731 25.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 35.985 39.149 24.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 34.878 40.311 24.293 1.00 0.00 H new ATOM 190 N THR A 12 28.245 36.740 25.962 1.00 0.00 N ATOM 191 CA THR A 12 27.066 36.052 25.468 1.00 0.00 C ATOM 192 C THR A 12 27.037 36.014 23.943 1.00 0.00 C ATOM 193 O THR A 12 26.759 37.027 23.296 1.00 0.00 O ATOM 194 CB THR A 12 25.831 36.495 26.247 1.00 0.00 C ATOM 195 OG1 THR A 12 26.065 36.476 27.632 1.00 0.00 O ATOM 196 CG2 THR A 12 24.584 35.650 25.980 1.00 0.00 C ATOM 0 H THR A 12 28.322 37.683 25.580 1.00 0.00 H new ATOM 0 HA THR A 12 27.089 34.984 25.683 1.00 0.00 H new ATOM 0 HB THR A 12 25.641 37.508 25.891 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.812 37.074 27.846 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.752 36.031 26.572 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.329 35.702 24.921 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.781 34.614 26.256 1.00 0.00 H new ATOM 204 N ILE A 13 27.191 34.815 23.404 1.00 0.00 N ATOM 205 CA ILE A 13 27.035 34.643 21.975 1.00 0.00 C ATOM 206 C ILE A 13 25.631 34.056 21.817 1.00 0.00 C ATOM 207 O ILE A 13 25.036 33.490 22.737 1.00 0.00 O ATOM 208 CB ILE A 13 28.131 33.721 21.443 1.00 0.00 C ATOM 209 CG1 ILE A 13 29.511 34.184 21.904 1.00 0.00 C ATOM 210 CG2 ILE A 13 28.030 33.596 19.922 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.923 35.641 21.681 1.00 0.00 C ATOM 0 H ILE A 13 27.419 33.967 23.923 1.00 0.00 H new ATOM 0 HA ILE A 13 27.134 35.567 21.405 1.00 0.00 H new ATOM 0 HB ILE A 13 27.985 32.724 21.859 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.585 33.982 22.973 1.00 0.00 H new ATOM 0 HG13 ILE A 13 30.250 33.555 21.409 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.817 32.936 19.558 1.00 0.00 H new ATOM 0 HG22 ILE A 13 27.058 33.182 19.655 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.143 34.580 19.468 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.930 35.797 22.067 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.904 35.865 20.614 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.228 36.299 22.202 1.00 0.00 H new ATOM 223 N THR A 14 25.072 34.429 20.679 1.00 0.00 N ATOM 224 CA THR A 14 23.661 34.332 20.360 1.00 0.00 C ATOM 225 C THR A 14 23.446 33.639 19.014 1.00 0.00 C ATOM 226 O THR A 14 24.040 34.026 18.008 1.00 0.00 O ATOM 227 CB THR A 14 22.930 35.633 20.662 1.00 0.00 C ATOM 228 OG1 THR A 14 23.736 36.699 20.210 1.00 0.00 O ATOM 229 CG2 THR A 14 22.791 36.020 22.137 1.00 0.00 C ATOM 0 H THR A 14 25.618 34.827 19.915 1.00 0.00 H new ATOM 0 HA THR A 14 23.146 33.648 21.035 1.00 0.00 H new ATOM 0 HB THR A 14 21.951 35.476 20.209 1.00 0.00 H new ATOM 0 HG1 THR A 14 23.285 37.550 20.392 1.00 0.00 H new ATOM 0 HG21 THR A 14 22.252 36.964 22.216 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.240 35.243 22.667 1.00 0.00 H new ATOM 0 HG23 THR A 14 23.781 36.129 22.579 1.00 0.00 H new ATOM 237 N LEU A 15 22.583 32.626 18.995 1.00 0.00 N ATOM 238 CA LEU A 15 22.194 31.891 17.807 1.00 0.00 C ATOM 239 C LEU A 15 20.780 32.259 17.372 1.00 0.00 C ATOM 240 O LEU A 15 19.850 32.217 18.188 1.00 0.00 O ATOM 241 CB LEU A 15 22.105 30.387 18.060 1.00 0.00 C ATOM 242 CG LEU A 15 23.474 29.750 18.282 1.00 0.00 C ATOM 243 CD1 LEU A 15 23.287 28.284 18.677 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.284 29.916 16.992 1.00 0.00 C ATOM 0 H LEU A 15 22.122 32.287 19.840 1.00 0.00 H new ATOM 0 HA LEU A 15 22.954 32.141 17.066 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.477 30.205 18.932 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.618 29.907 17.211 1.00 0.00 H new ATOM 0 HG LEU A 15 24.020 30.231 19.093 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.262 27.823 18.837 1.00 0.00 H new ATOM 0 HD12 LEU A 15 22.703 28.226 19.596 1.00 0.00 H new ATOM 0 HD13 LEU A 15 22.763 27.757 17.880 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.270 29.469 17.121 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.766 29.421 16.171 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.393 30.976 16.765 1.00 0.00 H new ATOM 256 N GLU A 16 20.529 32.682 16.136 1.00 0.00 N ATOM 257 CA GLU A 16 19.310 32.793 15.360 1.00 0.00 C ATOM 258 C GLU A 16 19.106 31.455 14.641 1.00 0.00 C ATOM 259 O GLU A 16 19.608 31.137 13.569 1.00 0.00 O ATOM 260 CB GLU A 16 19.453 33.840 14.255 1.00 0.00 C ATOM 261 CG GLU A 16 19.406 35.297 14.695 1.00 0.00 C ATOM 262 CD GLU A 16 20.559 35.739 15.587 1.00 0.00 C ATOM 263 OE1 GLU A 16 21.731 35.832 15.145 1.00 0.00 O ATOM 264 OE2 GLU A 16 20.247 36.132 16.731 1.00 0.00 O ATOM 0 H GLU A 16 21.314 33.006 15.571 1.00 0.00 H new ATOM 0 HA GLU A 16 18.493 33.063 16.029 1.00 0.00 H new ATOM 0 HB2 GLU A 16 20.399 33.668 13.741 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.660 33.677 13.525 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.391 35.929 13.807 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.470 35.471 15.225 1.00 0.00 H new ATOM 271 N VAL A 17 18.346 30.564 15.272 1.00 0.00 N ATOM 272 CA VAL A 17 18.071 29.215 14.840 1.00 0.00 C ATOM 273 C VAL A 17 16.577 28.881 14.988 1.00 0.00 C ATOM 274 O VAL A 17 15.844 29.621 15.624 1.00 0.00 O ATOM 275 CB VAL A 17 19.073 28.308 15.560 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.515 28.278 15.043 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.994 28.497 17.071 1.00 0.00 C ATOM 0 H VAL A 17 17.881 30.788 16.152 1.00 0.00 H new ATOM 0 HA VAL A 17 18.227 29.060 13.772 1.00 0.00 H new ATOM 0 HB VAL A 17 18.735 27.306 15.296 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.105 27.593 15.651 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.523 27.942 14.006 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.944 29.278 15.103 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.716 27.841 17.558 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.220 29.534 17.320 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.990 28.251 17.416 1.00 0.00 H new ATOM 287 N GLU A 18 16.146 27.834 14.299 1.00 0.00 N ATOM 288 CA GLU A 18 14.833 27.226 14.285 1.00 0.00 C ATOM 289 C GLU A 18 15.139 25.838 14.859 1.00 0.00 C ATOM 290 O GLU A 18 16.222 25.330 14.599 1.00 0.00 O ATOM 291 CB GLU A 18 14.462 27.108 12.802 1.00 0.00 C ATOM 292 CG GLU A 18 13.058 26.622 12.447 1.00 0.00 C ATOM 293 CD GLU A 18 11.948 27.648 12.609 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.851 28.267 13.695 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.079 27.765 11.711 1.00 0.00 O ATOM 0 H GLU A 18 16.780 27.341 13.670 1.00 0.00 H new ATOM 0 HA GLU A 18 14.037 27.743 14.821 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.601 28.088 12.345 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.177 26.433 12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.063 26.278 11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.824 25.758 13.069 1.00 0.00 H new ATOM 302 N PRO A 19 14.391 25.247 15.787 1.00 0.00 N ATOM 303 CA PRO A 19 14.618 23.969 16.444 1.00 0.00 C ATOM 304 C PRO A 19 15.269 22.900 15.574 1.00 0.00 C ATOM 305 O PRO A 19 16.063 22.049 15.978 1.00 0.00 O ATOM 306 CB PRO A 19 13.266 23.506 16.995 1.00 0.00 C ATOM 307 CG PRO A 19 12.541 24.843 17.202 1.00 0.00 C ATOM 308 CD PRO A 19 13.068 25.764 16.097 1.00 0.00 C ATOM 0 HA PRO A 19 15.350 24.119 17.237 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.739 22.858 16.295 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.372 22.949 17.926 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.460 24.720 17.129 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.749 25.255 18.190 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.419 25.743 15.221 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.116 26.800 16.434 1.00 0.00 H new ATOM 316 N SER A 20 14.837 22.837 14.319 1.00 0.00 N ATOM 317 CA SER A 20 15.151 21.819 13.328 1.00 0.00 C ATOM 318 C SER A 20 16.512 21.993 12.644 1.00 0.00 C ATOM 319 O SER A 20 16.906 21.141 11.853 1.00 0.00 O ATOM 320 CB SER A 20 14.065 22.023 12.270 1.00 0.00 C ATOM 321 OG SER A 20 13.865 23.352 11.844 1.00 0.00 O ATOM 0 H SER A 20 14.212 23.550 13.942 1.00 0.00 H new ATOM 0 HA SER A 20 15.190 20.838 13.801 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.314 21.416 11.400 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.123 21.643 12.665 1.00 0.00 H new ATOM 0 HG SER A 20 13.155 23.376 11.169 1.00 0.00 H new ATOM 327 N ASP A 21 17.319 23.015 12.924 1.00 0.00 N ATOM 328 CA ASP A 21 18.658 23.305 12.479 1.00 0.00 C ATOM 329 C ASP A 21 19.581 22.217 13.037 1.00 0.00 C ATOM 330 O ASP A 21 19.450 21.767 14.169 1.00 0.00 O ATOM 331 CB ASP A 21 19.095 24.740 12.800 1.00 0.00 C ATOM 332 CG ASP A 21 18.629 25.914 11.944 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.098 25.791 10.816 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.747 27.054 12.428 1.00 0.00 O ATOM 0 H ASP A 21 16.993 23.749 13.553 1.00 0.00 H new ATOM 0 HA ASP A 21 18.710 23.275 11.391 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.782 24.947 13.823 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.185 24.751 12.791 1.00 0.00 H new ATOM 339 N THR A 22 20.495 21.688 12.229 1.00 0.00 N ATOM 340 CA THR A 22 21.577 20.778 12.547 1.00 0.00 C ATOM 341 C THR A 22 22.626 21.400 13.470 1.00 0.00 C ATOM 342 O THR A 22 22.693 22.628 13.500 1.00 0.00 O ATOM 343 CB THR A 22 22.270 20.095 11.372 1.00 0.00 C ATOM 344 OG1 THR A 22 22.846 21.119 10.598 1.00 0.00 O ATOM 345 CG2 THR A 22 21.250 19.234 10.618 1.00 0.00 C ATOM 0 H THR A 22 20.490 21.913 11.234 1.00 0.00 H new ATOM 0 HA THR A 22 21.044 19.984 13.070 1.00 0.00 H new ATOM 0 HB THR A 22 23.062 19.410 11.675 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.307 20.727 9.827 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.739 18.743 9.777 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.842 18.480 11.291 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.442 19.866 10.249 1.00 0.00 H new ATOM 353 N ILE A 23 23.419 20.581 14.152 1.00 0.00 N ATOM 354 CA ILE A 23 24.464 21.075 15.026 1.00 0.00 C ATOM 355 C ILE A 23 25.644 21.604 14.202 1.00 0.00 C ATOM 356 O ILE A 23 26.259 22.580 14.607 1.00 0.00 O ATOM 357 CB ILE A 23 25.031 19.888 15.814 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.018 18.911 16.400 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.983 20.334 16.919 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.768 19.633 16.925 1.00 0.00 C ATOM 0 H ILE A 23 23.353 19.564 14.112 1.00 0.00 H new ATOM 0 HA ILE A 23 24.041 21.854 15.660 1.00 0.00 H new ATOM 0 HB ILE A 23 25.564 19.335 15.041 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.727 18.188 15.638 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.481 18.350 17.211 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.359 19.460 17.450 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.819 20.880 16.481 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.452 20.982 17.617 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.071 18.902 17.334 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.056 20.337 17.706 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.290 20.173 16.108 1.00 0.00 H new ATOM 372 N GLU A 24 25.926 21.036 13.021 1.00 0.00 N ATOM 373 CA GLU A 24 26.888 21.455 12.029 1.00 0.00 C ATOM 374 C GLU A 24 26.550 22.819 11.439 1.00 0.00 C ATOM 375 O GLU A 24 27.441 23.633 11.198 1.00 0.00 O ATOM 376 CB GLU A 24 26.957 20.433 10.893 1.00 0.00 C ATOM 377 CG GLU A 24 28.074 20.703 9.877 1.00 0.00 C ATOM 378 CD GLU A 24 29.469 20.405 10.401 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.654 19.733 11.437 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.430 20.952 9.801 1.00 0.00 O ATOM 0 H GLU A 24 25.433 20.195 12.722 1.00 0.00 H new ATOM 0 HA GLU A 24 27.851 21.527 12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.100 19.440 11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.000 20.421 10.371 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.895 20.101 8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.027 21.748 9.570 1.00 0.00 H new ATOM 387 N ASN A 25 25.278 23.198 11.348 1.00 0.00 N ATOM 388 CA ASN A 25 24.849 24.521 10.940 1.00 0.00 C ATOM 389 C ASN A 25 24.945 25.479 12.125 1.00 0.00 C ATOM 390 O ASN A 25 25.155 26.666 11.923 1.00 0.00 O ATOM 391 CB ASN A 25 23.434 24.340 10.396 1.00 0.00 C ATOM 392 CG ASN A 25 22.743 25.670 10.148 1.00 0.00 C ATOM 393 OD1 ASN A 25 21.861 26.066 10.898 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.918 26.389 9.047 1.00 0.00 N ATOM 0 H ASN A 25 24.501 22.573 11.563 1.00 0.00 H new ATOM 0 HA ASN A 25 25.475 24.966 10.167 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.473 23.773 9.466 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.847 23.753 11.102 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.336 27.209 8.875 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.635 26.122 8.372 1.00 0.00 H new ATOM 401 N VAL A 26 24.887 24.982 13.366 1.00 0.00 N ATOM 402 CA VAL A 26 25.051 25.781 14.562 1.00 0.00 C ATOM 403 C VAL A 26 26.504 26.220 14.761 1.00 0.00 C ATOM 404 O VAL A 26 26.806 27.267 15.333 1.00 0.00 O ATOM 405 CB VAL A 26 24.368 25.142 15.770 1.00 0.00 C ATOM 406 CG1 VAL A 26 25.209 25.065 17.047 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.059 25.889 16.043 1.00 0.00 C ATOM 0 H VAL A 26 24.721 23.994 13.559 1.00 0.00 H new ATOM 0 HA VAL A 26 24.516 26.722 14.432 1.00 0.00 H new ATOM 0 HB VAL A 26 24.195 24.100 15.500 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.626 24.594 17.839 1.00 0.00 H new ATOM 0 HG12 VAL A 26 26.106 24.475 16.857 1.00 0.00 H new ATOM 0 HG13 VAL A 26 25.495 26.071 17.356 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.559 25.444 16.903 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.275 26.937 16.250 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.411 25.818 15.170 1.00 0.00 H new ATOM 417 N LYS A 27 27.474 25.560 14.149 1.00 0.00 N ATOM 418 CA LYS A 27 28.906 25.775 14.031 1.00 0.00 C ATOM 419 C LYS A 27 29.290 26.931 13.095 1.00 0.00 C ATOM 420 O LYS A 27 30.056 27.827 13.446 1.00 0.00 O ATOM 421 CB LYS A 27 29.757 24.591 13.570 1.00 0.00 C ATOM 422 CG LYS A 27 29.851 23.453 14.574 1.00 0.00 C ATOM 423 CD LYS A 27 30.389 22.187 13.913 1.00 0.00 C ATOM 424 CE LYS A 27 29.837 20.931 14.594 1.00 0.00 C ATOM 425 NZ LYS A 27 30.456 19.738 13.988 1.00 0.00 N ATOM 0 H LYS A 27 27.225 24.714 13.636 1.00 0.00 H new ATOM 0 HA LYS A 27 29.132 25.989 15.076 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.344 24.204 12.639 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.763 24.947 13.349 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.503 23.743 15.398 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.867 23.256 15.000 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.118 22.181 12.857 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.478 22.182 13.962 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.047 20.961 15.663 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.753 20.889 14.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.955 18.885 14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.396 19.804 12.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.454 19.682 14.274 1.00 0.00 H new ATOM 439 N ALA A 28 28.636 26.998 11.948 1.00 0.00 N ATOM 440 CA ALA A 28 28.725 28.041 10.950 1.00 0.00 C ATOM 441 C ALA A 28 28.184 29.378 11.470 1.00 0.00 C ATOM 442 O ALA A 28 28.704 30.410 11.059 1.00 0.00 O ATOM 443 CB ALA A 28 27.905 27.624 9.725 1.00 0.00 C ATOM 0 H ALA A 28 27.980 26.267 11.673 1.00 0.00 H new ATOM 0 HA ALA A 28 29.776 28.175 10.696 1.00 0.00 H new ATOM 0 HB1 ALA A 28 27.964 28.403 8.965 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.302 26.692 9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.864 27.479 10.016 1.00 0.00 H new ATOM 449 N LYS A 29 27.099 29.349 12.249 1.00 0.00 N ATOM 450 CA LYS A 29 26.479 30.440 12.962 1.00 0.00 C ATOM 451 C LYS A 29 27.254 31.018 14.148 1.00 0.00 C ATOM 452 O LYS A 29 26.923 32.134 14.535 1.00 0.00 O ATOM 453 CB LYS A 29 25.070 30.049 13.440 1.00 0.00 C ATOM 454 CG LYS A 29 24.096 29.818 12.294 1.00 0.00 C ATOM 455 CD LYS A 29 22.614 29.631 12.636 1.00 0.00 C ATOM 456 CE LYS A 29 21.781 29.434 11.371 1.00 0.00 C ATOM 457 NZ LYS A 29 20.340 29.235 11.601 1.00 0.00 N ATOM 0 H LYS A 29 26.596 28.475 12.402 1.00 0.00 H new ATOM 0 HA LYS A 29 26.454 31.236 12.217 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.135 29.143 14.042 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.681 30.835 14.087 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.177 30.664 11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.427 28.935 11.748 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.495 28.769 13.292 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.251 30.501 13.183 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.914 30.303 10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.170 28.572 10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.820 29.413 10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.170 28.257 11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.011 29.894 12.336 1.00 0.00 H new ATOM 471 N ILE A 30 28.317 30.312 14.525 1.00 0.00 N ATOM 472 CA ILE A 30 29.303 30.947 15.386 1.00 0.00 C ATOM 473 C ILE A 30 30.424 31.541 14.538 1.00 0.00 C ATOM 474 O ILE A 30 31.007 32.549 14.916 1.00 0.00 O ATOM 475 CB ILE A 30 29.641 29.929 16.481 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.511 29.742 17.488 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.930 30.330 17.202 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.619 28.716 18.620 1.00 0.00 C ATOM 0 H ILE A 30 28.511 29.346 14.262 1.00 0.00 H new ATOM 0 HA ILE A 30 28.959 31.830 15.924 1.00 0.00 H new ATOM 0 HB ILE A 30 29.783 28.970 15.983 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.336 30.712 17.953 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.615 29.495 16.919 1.00 0.00 H new ATOM 0 HG21 ILE A 30 31.157 29.597 17.977 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.751 30.367 16.486 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.802 31.312 17.658 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.711 28.742 19.222 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.746 27.719 18.197 1.00 0.00 H new ATOM 0 HD13 ILE A 30 29.477 28.956 19.248 1.00 0.00 H new ATOM 490 N GLN A 31 30.874 30.855 13.491 1.00 0.00 N ATOM 491 CA GLN A 31 31.977 31.128 12.586 1.00 0.00 C ATOM 492 C GLN A 31 31.742 32.447 11.843 1.00 0.00 C ATOM 493 O GLN A 31 32.625 33.294 11.930 1.00 0.00 O ATOM 494 CB GLN A 31 32.287 29.944 11.682 1.00 0.00 C ATOM 495 CG GLN A 31 33.529 30.260 10.841 1.00 0.00 C ATOM 496 CD GLN A 31 33.727 29.200 9.767 1.00 0.00 C ATOM 497 OE1 GLN A 31 34.728 29.228 9.054 1.00 0.00 O ATOM 498 NE2 GLN A 31 32.902 28.171 9.576 1.00 0.00 N ATOM 0 H GLN A 31 30.411 29.985 13.228 1.00 0.00 H new ATOM 0 HA GLN A 31 32.887 31.263 13.171 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.457 29.049 12.281 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.437 29.736 11.032 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.422 31.241 10.377 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.409 30.305 11.483 1.00 0.00 H new ATOM 0 HE21 GLN A 31 32.053 28.088 10.135 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.120 27.467 8.871 1.00 0.00 H new ATOM 507 N ASP A 32 30.694 32.550 11.035 1.00 0.00 N ATOM 508 CA ASP A 32 30.174 33.740 10.392 1.00 0.00 C ATOM 509 C ASP A 32 30.126 35.016 11.241 1.00 0.00 C ATOM 510 O ASP A 32 30.556 36.070 10.768 1.00 0.00 O ATOM 511 CB ASP A 32 28.799 33.488 9.758 1.00 0.00 C ATOM 512 CG ASP A 32 28.106 34.661 9.073 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.645 35.085 8.018 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.043 35.123 9.520 1.00 0.00 O ATOM 0 H ASP A 32 30.141 31.727 10.795 1.00 0.00 H new ATOM 0 HA ASP A 32 30.921 33.941 9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.910 32.690 9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.134 33.115 10.537 1.00 0.00 H new ATOM 519 N LYS A 33 29.789 34.757 12.491 1.00 0.00 N ATOM 520 CA LYS A 33 29.954 35.777 13.507 1.00 0.00 C ATOM 521 C LYS A 33 31.348 36.021 14.090 1.00 0.00 C ATOM 522 O LYS A 33 31.936 37.089 13.910 1.00 0.00 O ATOM 523 CB LYS A 33 29.004 35.347 14.630 1.00 0.00 C ATOM 524 CG LYS A 33 27.547 35.624 14.241 1.00 0.00 C ATOM 525 CD LYS A 33 26.539 35.379 15.358 1.00 0.00 C ATOM 526 CE LYS A 33 25.117 35.783 14.959 1.00 0.00 C ATOM 527 NZ LYS A 33 24.229 35.905 16.124 1.00 0.00 N ATOM 0 H LYS A 33 29.408 33.870 12.821 1.00 0.00 H new ATOM 0 HA LYS A 33 29.749 36.734 13.028 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.135 34.285 14.837 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.250 35.883 15.547 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.462 36.660 13.912 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.286 34.997 13.389 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.551 34.324 15.630 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.838 35.940 16.243 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.147 36.733 14.425 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.710 35.043 14.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.239 35.825 15.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.442 35.148 16.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.376 36.829 16.578 1.00 0.00 H new ATOM 541 N GLU A 34 31.834 35.074 14.878 1.00 0.00 N ATOM 542 CA GLU A 34 32.925 35.295 15.806 1.00 0.00 C ATOM 543 C GLU A 34 34.275 34.833 15.243 1.00 0.00 C ATOM 544 O GLU A 34 35.293 35.161 15.838 1.00 0.00 O ATOM 545 CB GLU A 34 32.608 34.483 17.059 1.00 0.00 C ATOM 546 CG GLU A 34 31.679 35.205 18.036 1.00 0.00 C ATOM 547 CD GLU A 34 32.431 36.315 18.751 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.541 35.982 19.225 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.972 37.476 18.844 1.00 0.00 O ATOM 0 H GLU A 34 31.475 34.119 14.889 1.00 0.00 H new ATOM 0 HA GLU A 34 33.012 36.363 16.008 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.149 33.539 16.764 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.540 34.239 17.569 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.826 35.621 17.499 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.283 34.497 18.764 1.00 0.00 H new ATOM 556 N GLY A 35 34.276 34.204 14.069 1.00 0.00 N ATOM 557 CA GLY A 35 35.437 33.921 13.238 1.00 0.00 C ATOM 558 C GLY A 35 36.100 32.576 13.503 1.00 0.00 C ATOM 559 O GLY A 35 37.154 32.230 12.971 1.00 0.00 O ATOM 0 H GLY A 35 33.412 33.859 13.650 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.136 33.962 12.191 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.174 34.709 13.388 1.00 0.00 H new ATOM 563 N ILE A 36 35.514 31.857 14.451 1.00 0.00 N ATOM 564 CA ILE A 36 36.014 30.694 15.159 1.00 0.00 C ATOM 565 C ILE A 36 35.815 29.505 14.228 1.00 0.00 C ATOM 566 O ILE A 36 34.708 29.495 13.684 1.00 0.00 O ATOM 567 CB ILE A 36 35.330 30.477 16.509 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.417 31.669 17.454 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.835 29.209 17.191 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.478 31.599 18.650 1.00 0.00 C ATOM 0 H ILE A 36 34.578 32.103 14.774 1.00 0.00 H new ATOM 0 HA ILE A 36 37.067 30.832 15.406 1.00 0.00 H new ATOM 0 HB ILE A 36 34.272 30.359 16.276 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.441 31.754 17.817 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.202 32.578 16.892 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.329 29.084 18.148 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.628 28.347 16.556 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.909 29.288 17.357 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.608 32.488 19.267 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.447 31.548 18.300 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.706 30.711 19.240 1.00 0.00 H new ATOM 582 N PRO A 37 36.706 28.560 13.945 1.00 0.00 N ATOM 583 CA PRO A 37 36.486 27.536 12.946 1.00 0.00 C ATOM 584 C PRO A 37 35.601 26.402 13.486 1.00 0.00 C ATOM 585 O PRO A 37 35.332 26.377 14.692 1.00 0.00 O ATOM 586 CB PRO A 37 37.900 27.099 12.592 1.00 0.00 C ATOM 587 CG PRO A 37 38.712 27.262 13.881 1.00 0.00 C ATOM 588 CD PRO A 37 38.017 28.433 14.561 1.00 0.00 C ATOM 0 HA PRO A 37 35.938 27.881 12.069 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.917 26.066 12.246 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.311 27.711 11.789 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.685 26.362 14.495 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.761 27.476 13.676 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.925 28.258 15.633 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.593 29.350 14.436 1.00 0.00 H new ATOM 596 N PRO A 38 34.992 25.543 12.683 1.00 0.00 N ATOM 597 CA PRO A 38 33.936 24.655 13.107 1.00 0.00 C ATOM 598 C PRO A 38 34.338 23.509 14.045 1.00 0.00 C ATOM 599 O PRO A 38 33.773 23.291 15.117 1.00 0.00 O ATOM 600 CB PRO A 38 33.261 24.121 11.842 1.00 0.00 C ATOM 601 CG PRO A 38 34.350 24.264 10.775 1.00 0.00 C ATOM 602 CD PRO A 38 35.120 25.501 11.236 1.00 0.00 C ATOM 0 HA PRO A 38 33.261 25.242 13.729 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.948 23.084 11.960 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.371 24.696 11.588 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.990 23.383 10.731 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.926 24.400 9.780 1.00 0.00 H new ATOM 0 HD2 PRO A 38 36.167 25.440 10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.712 26.405 10.783 1.00 0.00 H new ATOM 610 N ASP A 39 35.362 22.773 13.627 1.00 0.00 N ATOM 611 CA ASP A 39 35.780 21.459 14.096 1.00 0.00 C ATOM 612 C ASP A 39 36.300 21.451 15.528 1.00 0.00 C ATOM 613 O ASP A 39 36.486 20.457 16.233 1.00 0.00 O ATOM 614 CB ASP A 39 36.735 20.959 13.011 1.00 0.00 C ATOM 615 CG ASP A 39 37.203 19.525 13.202 1.00 0.00 C ATOM 616 OD1 ASP A 39 36.361 18.605 13.319 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.446 19.369 13.081 1.00 0.00 O ATOM 0 H ASP A 39 35.974 23.112 12.885 1.00 0.00 H new ATOM 0 HA ASP A 39 34.950 20.762 14.208 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.241 21.042 12.043 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.607 21.613 12.981 1.00 0.00 H new ATOM 622 N GLN A 40 36.518 22.653 16.057 1.00 0.00 N ATOM 623 CA GLN A 40 37.146 22.967 17.328 1.00 0.00 C ATOM 624 C GLN A 40 36.084 23.189 18.398 1.00 0.00 C ATOM 625 O GLN A 40 36.531 23.194 19.545 1.00 0.00 O ATOM 626 CB GLN A 40 37.837 24.320 17.175 1.00 0.00 C ATOM 627 CG GLN A 40 39.331 24.186 16.888 1.00 0.00 C ATOM 628 CD GLN A 40 39.634 23.537 15.546 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.963 23.733 14.538 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.586 22.609 15.531 1.00 0.00 N ATOM 0 H GLN A 40 36.234 23.499 15.563 1.00 0.00 H new ATOM 0 HA GLN A 40 37.820 22.155 17.600 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.364 24.876 16.366 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.696 24.901 18.086 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.789 25.175 16.916 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.794 23.598 17.680 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.148 22.441 16.366 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.755 22.065 14.685 1.00 0.00 H new ATOM 639 N GLN A 41 34.826 23.430 18.034 1.00 0.00 N ATOM 640 CA GLN A 41 33.777 23.727 18.984 1.00 0.00 C ATOM 641 C GLN A 41 33.113 22.401 19.376 1.00 0.00 C ATOM 642 O GLN A 41 32.939 21.431 18.640 1.00 0.00 O ATOM 643 CB GLN A 41 32.766 24.589 18.237 1.00 0.00 C ATOM 644 CG GLN A 41 33.333 25.958 17.857 1.00 0.00 C ATOM 645 CD GLN A 41 32.364 26.851 17.097 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.165 26.945 17.352 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.963 27.624 16.207 1.00 0.00 N ATOM 0 H GLN A 41 34.513 23.423 17.063 1.00 0.00 H new ATOM 0 HA GLN A 41 34.148 24.232 19.876 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.446 24.068 17.334 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.880 24.725 18.858 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.646 26.473 18.765 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.226 25.812 17.249 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.961 27.514 16.025 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.428 28.331 15.703 1.00 0.00 H new ATOM 656 N ARG A 42 32.843 22.353 20.680 1.00 0.00 N ATOM 657 CA ARG A 42 31.928 21.472 21.386 1.00 0.00 C ATOM 658 C ARG A 42 31.001 22.219 22.346 1.00 0.00 C ATOM 659 O ARG A 42 31.370 23.283 22.843 1.00 0.00 O ATOM 660 CB ARG A 42 32.496 20.269 22.132 1.00 0.00 C ATOM 661 CG ARG A 42 33.123 19.178 21.268 1.00 0.00 C ATOM 662 CD ARG A 42 33.954 18.240 22.156 1.00 0.00 C ATOM 663 NE ARG A 42 34.540 17.179 21.345 1.00 0.00 N ATOM 664 CZ ARG A 42 34.864 15.973 21.845 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.960 15.639 23.137 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.121 15.044 20.915 1.00 0.00 N ATOM 0 H ARG A 42 33.306 22.993 21.325 1.00 0.00 H new ATOM 0 HA ARG A 42 31.392 21.058 20.532 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.249 20.625 22.835 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.696 19.822 22.722 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.345 18.615 20.753 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.755 19.625 20.500 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.741 18.803 22.658 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.324 17.809 22.934 1.00 0.00 H new ATOM 0 HE ARG A 42 34.712 17.359 20.356 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.778 16.336 23.859 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.215 14.687 23.400 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.062 15.283 19.925 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.376 14.097 21.197 1.00 0.00 H new ATOM 680 N LEU A 43 29.764 21.748 22.397 1.00 0.00 N ATOM 681 CA LEU A 43 28.661 22.494 22.984 1.00 0.00 C ATOM 682 C LEU A 43 27.915 21.501 23.875 1.00 0.00 C ATOM 683 O LEU A 43 27.690 20.336 23.563 1.00 0.00 O ATOM 684 CB LEU A 43 28.015 23.539 22.080 1.00 0.00 C ATOM 685 CG LEU A 43 26.794 23.159 21.254 1.00 0.00 C ATOM 686 CD1 LEU A 43 25.918 24.365 20.887 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.309 22.485 19.979 1.00 0.00 C ATOM 0 H LEU A 43 29.496 20.834 22.031 1.00 0.00 H new ATOM 0 HA LEU A 43 28.919 23.295 23.677 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.736 24.386 22.707 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.780 23.892 21.389 1.00 0.00 H new ATOM 0 HG LEU A 43 26.161 22.496 21.844 1.00 0.00 H new ATOM 0 HD11 LEU A 43 25.064 24.029 20.299 1.00 0.00 H new ATOM 0 HD12 LEU A 43 25.564 24.848 21.798 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.503 25.076 20.304 1.00 0.00 H new ATOM 0 HD21 LEU A 43 26.464 22.195 19.354 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.944 23.181 19.430 1.00 0.00 H new ATOM 0 HD23 LEU A 43 27.886 21.599 20.243 1.00 0.00 H new ATOM 699 N ILE A 44 27.485 21.982 25.045 1.00 0.00 N ATOM 700 CA ILE A 44 27.111 21.200 26.207 1.00 0.00 C ATOM 701 C ILE A 44 25.768 21.700 26.757 1.00 0.00 C ATOM 702 O ILE A 44 25.619 22.896 26.983 1.00 0.00 O ATOM 703 CB ILE A 44 28.226 20.991 27.226 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.259 20.025 26.644 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.746 20.521 28.601 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.549 20.096 27.459 1.00 0.00 C ATOM 0 H ILE A 44 27.386 22.984 25.207 1.00 0.00 H new ATOM 0 HA ILE A 44 26.949 20.170 25.889 1.00 0.00 H new ATOM 0 HB ILE A 44 28.676 21.967 27.409 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.866 19.008 26.655 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.461 20.278 25.603 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.603 20.398 29.263 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.066 21.262 29.022 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.226 19.568 28.499 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.282 19.406 27.041 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.945 21.111 27.425 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.341 19.822 28.493 1.00 0.00 H new ATOM 718 N PHE A 45 24.780 20.852 27.018 1.00 0.00 N ATOM 719 CA PHE A 45 23.474 21.172 27.554 1.00 0.00 C ATOM 720 C PHE A 45 22.786 19.960 28.193 1.00 0.00 C ATOM 721 O PHE A 45 22.685 18.923 27.552 1.00 0.00 O ATOM 722 CB PHE A 45 22.656 21.833 26.444 1.00 0.00 C ATOM 723 CG PHE A 45 21.235 22.154 26.822 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.878 23.377 27.415 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.287 21.162 26.508 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.531 23.500 27.798 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.938 21.296 26.873 1.00 0.00 C ATOM 728 CZ PHE A 45 18.594 22.516 27.456 1.00 0.00 C ATOM 0 H PHE A 45 24.884 19.852 26.846 1.00 0.00 H new ATOM 0 HA PHE A 45 23.573 21.876 28.380 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.155 22.754 26.142 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.648 21.175 25.575 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.593 24.172 27.567 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.604 20.278 25.974 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.214 24.364 28.363 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.216 20.509 26.713 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.551 22.712 27.654 1.00 0.00 H new ATOM 738 N ALA A 46 22.224 20.158 29.387 1.00 0.00 N ATOM 739 CA ALA A 46 21.551 19.292 30.319 1.00 0.00 C ATOM 740 C ALA A 46 22.368 18.050 30.668 1.00 0.00 C ATOM 741 O ALA A 46 21.827 16.966 30.878 1.00 0.00 O ATOM 742 CB ALA A 46 20.143 18.952 29.833 1.00 0.00 C ATOM 0 H ALA A 46 22.245 21.102 29.772 1.00 0.00 H new ATOM 0 HA ALA A 46 21.448 19.843 31.254 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.657 18.297 30.556 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.563 19.869 29.727 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.203 18.448 28.869 1.00 0.00 H new ATOM 748 N GLY A 47 23.690 18.250 30.714 1.00 0.00 N ATOM 749 CA GLY A 47 24.646 17.249 31.135 1.00 0.00 C ATOM 750 C GLY A 47 25.551 16.801 29.994 1.00 0.00 C ATOM 751 O GLY A 47 26.639 16.354 30.329 1.00 0.00 O ATOM 0 H GLY A 47 24.123 19.135 30.452 1.00 0.00 H new ATOM 0 HA2 GLY A 47 25.256 17.650 31.944 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.114 16.386 31.534 1.00 0.00 H new ATOM 755 N LYS A 48 25.110 16.811 28.738 1.00 0.00 N ATOM 756 CA LYS A 48 25.733 16.026 27.696 1.00 0.00 C ATOM 757 C LYS A 48 26.251 16.924 26.567 1.00 0.00 C ATOM 758 O LYS A 48 25.690 18.002 26.330 1.00 0.00 O ATOM 759 CB LYS A 48 24.603 15.171 27.119 1.00 0.00 C ATOM 760 CG LYS A 48 23.885 14.267 28.105 1.00 0.00 C ATOM 761 CD LYS A 48 22.945 13.359 27.308 1.00 0.00 C ATOM 762 CE LYS A 48 22.287 12.219 28.091 1.00 0.00 C ATOM 763 NZ LYS A 48 21.341 11.491 27.239 1.00 0.00 N ATOM 0 H LYS A 48 24.313 17.364 28.423 1.00 0.00 H new ATOM 0 HA LYS A 48 26.571 15.452 28.092 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.868 15.834 26.663 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.013 14.552 26.321 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.602 13.672 28.670 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.323 14.859 28.827 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.158 13.976 26.874 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.506 12.927 26.479 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.051 11.536 28.462 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.768 12.620 28.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.903 10.721 27.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.602 12.142 26.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.846 11.092 26.422 1.00 0.00 H new ATOM 777 N GLN A 49 27.345 16.486 25.943 1.00 0.00 N ATOM 778 CA GLN A 49 27.937 17.029 24.747 1.00 0.00 C ATOM 779 C GLN A 49 27.029 16.677 23.567 1.00 0.00 C ATOM 780 O GLN A 49 26.451 15.597 23.523 1.00 0.00 O ATOM 781 CB GLN A 49 29.307 16.378 24.531 1.00 0.00 C ATOM 782 CG GLN A 49 29.850 16.585 23.112 1.00 0.00 C ATOM 783 CD GLN A 49 31.174 15.875 22.855 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.877 15.545 23.805 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.432 15.479 21.617 1.00 0.00 N ATOM 0 H GLN A 49 27.869 15.685 26.295 1.00 0.00 H new ATOM 0 HA GLN A 49 28.052 18.109 24.833 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.016 16.789 25.249 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.232 15.310 24.733 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.111 16.229 22.394 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.979 17.653 22.934 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.826 15.773 20.851 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.237 14.881 21.430 1.00 0.00 H new ATOM 794 N LEU A 50 26.686 17.678 22.773 1.00 0.00 N ATOM 795 CA LEU A 50 25.791 17.693 21.626 1.00 0.00 C ATOM 796 C LEU A 50 26.500 17.030 20.434 1.00 0.00 C ATOM 797 O LEU A 50 27.481 17.514 19.887 1.00 0.00 O ATOM 798 CB LEU A 50 25.306 19.087 21.246 1.00 0.00 C ATOM 799 CG LEU A 50 24.140 19.609 22.091 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.405 19.766 23.585 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.430 20.855 21.557 1.00 0.00 C ATOM 0 H LEU A 50 27.073 18.608 22.936 1.00 0.00 H new ATOM 0 HA LEU A 50 24.897 17.135 21.905 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.140 19.783 21.332 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.004 19.079 20.199 1.00 0.00 H new ATOM 0 HG LEU A 50 23.454 18.770 21.976 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.507 20.142 24.076 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.674 18.799 24.010 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.224 20.469 23.737 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.623 21.133 22.235 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.142 21.677 21.484 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.018 20.644 20.570 1.00 0.00 H new ATOM 813 N GLU A 51 26.000 15.845 20.095 1.00 0.00 N ATOM 814 CA GLU A 51 26.486 14.878 19.131 1.00 0.00 C ATOM 815 C GLU A 51 26.225 15.376 17.702 1.00 0.00 C ATOM 816 O GLU A 51 25.082 15.699 17.366 1.00 0.00 O ATOM 817 CB GLU A 51 25.940 13.488 19.398 1.00 0.00 C ATOM 818 CG GLU A 51 26.867 12.362 18.929 1.00 0.00 C ATOM 819 CD GLU A 51 26.273 10.984 19.185 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.133 10.593 18.847 1.00 0.00 O ATOM 821 OE2 GLU A 51 27.069 10.194 19.729 1.00 0.00 O ATOM 0 H GLU A 51 25.148 15.507 20.543 1.00 0.00 H new ATOM 0 HA GLU A 51 27.566 14.784 19.243 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.760 13.377 20.467 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.976 13.384 18.900 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.066 12.478 17.864 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.825 12.444 19.443 1.00 0.00 H new ATOM 828 N ASP A 52 27.267 15.335 16.890 1.00 0.00 N ATOM 829 CA ASP A 52 27.316 15.477 15.446 1.00 0.00 C ATOM 830 C ASP A 52 26.246 14.645 14.725 1.00 0.00 C ATOM 831 O ASP A 52 25.978 13.517 15.124 1.00 0.00 O ATOM 832 CB ASP A 52 28.633 15.264 14.704 1.00 0.00 C ATOM 833 CG ASP A 52 29.748 16.239 15.054 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.454 17.454 15.124 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.934 15.873 15.174 1.00 0.00 O ATOM 0 H ASP A 52 28.202 15.185 17.269 1.00 0.00 H new ATOM 0 HA ASP A 52 27.134 16.550 15.392 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.983 14.252 14.905 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.441 15.328 13.633 1.00 0.00 H new ATOM 840 N GLY A 53 25.503 15.281 13.827 1.00 0.00 N ATOM 841 CA GLY A 53 24.557 14.611 12.953 1.00 0.00 C ATOM 842 C GLY A 53 23.182 14.500 13.605 1.00 0.00 C ATOM 843 O GLY A 53 22.324 13.679 13.300 1.00 0.00 O ATOM 0 H GLY A 53 25.544 16.290 13.686 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.474 15.160 12.015 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.927 13.615 12.708 1.00 0.00 H new ATOM 847 N ARG A 54 22.959 15.360 14.598 1.00 0.00 N ATOM 848 CA ARG A 54 21.701 15.630 15.270 1.00 0.00 C ATOM 849 C ARG A 54 21.075 16.973 14.886 1.00 0.00 C ATOM 850 O ARG A 54 21.780 17.781 14.280 1.00 0.00 O ATOM 851 CB ARG A 54 21.893 15.676 16.784 1.00 0.00 C ATOM 852 CG ARG A 54 22.372 14.344 17.355 1.00 0.00 C ATOM 853 CD ARG A 54 21.326 13.265 17.661 1.00 0.00 C ATOM 854 NE ARG A 54 21.432 12.121 16.762 1.00 0.00 N ATOM 855 CZ ARG A 54 20.445 11.581 16.027 1.00 0.00 C ATOM 856 NH1 ARG A 54 19.268 12.224 15.927 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.677 10.387 15.461 1.00 0.00 N ATOM 0 H ARG A 54 23.716 15.927 14.979 1.00 0.00 H new ATOM 0 HA ARG A 54 21.044 14.818 14.957 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.615 16.454 17.032 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.951 15.953 17.258 1.00 0.00 H new ATOM 0 HG2 ARG A 54 23.090 13.921 16.653 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.913 14.553 18.278 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.446 12.928 18.691 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.328 13.696 17.581 1.00 0.00 H new ATOM 0 HE ARG A 54 22.351 11.686 16.683 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.130 13.114 16.407 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.513 11.822 15.371 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.576 9.924 15.597 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.955 9.942 14.895 1.00 0.00 H new ATOM 871 N THR A 55 19.894 17.226 15.438 1.00 0.00 N ATOM 872 CA THR A 55 19.413 18.586 15.448 1.00 0.00 C ATOM 873 C THR A 55 19.231 19.080 16.886 1.00 0.00 C ATOM 874 O THR A 55 19.371 18.391 17.896 1.00 0.00 O ATOM 875 CB THR A 55 18.153 18.711 14.581 1.00 0.00 C ATOM 876 OG1 THR A 55 17.069 18.002 15.152 1.00 0.00 O ATOM 877 CG2 THR A 55 18.158 18.331 13.100 1.00 0.00 C ATOM 0 H THR A 55 19.279 16.534 15.866 1.00 0.00 H new ATOM 0 HA THR A 55 20.155 19.245 14.999 1.00 0.00 H new ATOM 0 HB THR A 55 18.076 19.798 14.581 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.278 18.099 14.581 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.166 18.496 12.679 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.885 18.946 12.569 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.426 17.280 12.995 1.00 0.00 H new ATOM 885 N LEU A 56 19.117 20.385 17.058 1.00 0.00 N ATOM 886 CA LEU A 56 18.733 21.044 18.297 1.00 0.00 C ATOM 887 C LEU A 56 17.417 20.538 18.885 1.00 0.00 C ATOM 888 O LEU A 56 17.246 20.533 20.109 1.00 0.00 O ATOM 889 CB LEU A 56 18.715 22.546 18.028 1.00 0.00 C ATOM 890 CG LEU A 56 20.008 23.187 17.519 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.731 24.684 17.418 1.00 0.00 C ATOM 892 CD2 LEU A 56 21.181 23.032 18.488 1.00 0.00 C ATOM 0 H LEU A 56 19.298 21.046 16.303 1.00 0.00 H new ATOM 0 HA LEU A 56 19.464 20.804 19.069 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.930 22.748 17.300 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.430 23.050 18.952 1.00 0.00 H new ATOM 0 HG LEU A 56 20.279 22.706 16.579 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.623 25.196 17.058 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.909 24.856 16.723 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.462 25.071 18.401 1.00 0.00 H new ATOM 0 HD21 LEU A 56 22.066 23.508 18.067 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.933 23.504 19.439 1.00 0.00 H new ATOM 0 HD23 LEU A 56 21.381 21.973 18.650 1.00 0.00 H new ATOM 904 N SER A 57 16.483 20.251 17.986 1.00 0.00 N ATOM 905 CA SER A 57 15.232 19.603 18.344 1.00 0.00 C ATOM 906 C SER A 57 15.405 18.244 19.016 1.00 0.00 C ATOM 907 O SER A 57 14.729 17.838 19.955 1.00 0.00 O ATOM 908 CB SER A 57 14.335 19.497 17.098 1.00 0.00 C ATOM 909 OG SER A 57 13.052 18.942 17.296 1.00 0.00 O ATOM 0 H SER A 57 16.573 20.461 16.992 1.00 0.00 H new ATOM 0 HA SER A 57 14.754 20.231 19.096 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.215 20.495 16.677 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.856 18.897 16.352 1.00 0.00 H new ATOM 0 HG SER A 57 12.569 18.923 16.444 1.00 0.00 H new ATOM 915 N ASP A 58 16.466 17.542 18.625 1.00 0.00 N ATOM 916 CA ASP A 58 16.855 16.251 19.167 1.00 0.00 C ATOM 917 C ASP A 58 17.234 16.252 20.644 1.00 0.00 C ATOM 918 O ASP A 58 17.089 15.226 21.297 1.00 0.00 O ATOM 919 CB ASP A 58 17.964 15.540 18.393 1.00 0.00 C ATOM 920 CG ASP A 58 17.781 15.319 16.905 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.649 15.554 16.425 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.683 14.719 16.278 1.00 0.00 O ATOM 0 H ASP A 58 17.098 17.872 17.896 1.00 0.00 H new ATOM 0 HA ASP A 58 15.926 15.694 19.050 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.883 16.109 18.533 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.119 14.566 18.856 1.00 0.00 H new ATOM 927 N TYR A 59 17.766 17.383 21.097 1.00 0.00 N ATOM 928 CA TYR A 59 18.210 17.751 22.428 1.00 0.00 C ATOM 929 C TYR A 59 17.103 18.526 23.130 1.00 0.00 C ATOM 930 O TYR A 59 17.232 18.882 24.301 1.00 0.00 O ATOM 931 CB TYR A 59 19.550 18.505 22.424 1.00 0.00 C ATOM 932 CG TYR A 59 20.790 17.637 22.443 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.955 16.881 21.280 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.608 17.502 23.569 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.973 15.928 21.266 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.643 16.554 23.485 1.00 0.00 C ATOM 937 CZ TYR A 59 22.839 15.742 22.356 1.00 0.00 C ATOM 938 OH TYR A 59 23.900 14.901 22.208 1.00 0.00 O ATOM 0 H TYR A 59 17.912 18.159 20.452 1.00 0.00 H new ATOM 0 HA TYR A 59 18.408 16.838 22.990 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.586 19.140 21.539 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.577 19.165 23.291 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.316 17.029 20.422 1.00 0.00 H new ATOM 0 HD2 TYR A 59 21.453 18.096 24.458 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.100 15.312 20.388 1.00 0.00 H new ATOM 0 HE2 TYR A 59 23.315 16.446 24.323 1.00 0.00 H new ATOM 0 HH TYR A 59 24.643 15.210 22.768 1.00 0.00 H new ATOM 948 N ASN A 60 15.869 18.693 22.656 1.00 0.00 N ATOM 949 CA ASN A 60 14.739 19.490 23.087 1.00 0.00 C ATOM 950 C ASN A 60 15.111 20.851 23.687 1.00 0.00 C ATOM 951 O ASN A 60 14.577 21.340 24.682 1.00 0.00 O ATOM 952 CB ASN A 60 13.823 18.682 24.006 1.00 0.00 C ATOM 953 CG ASN A 60 12.391 19.195 23.945 1.00 0.00 C ATOM 954 OD1 ASN A 60 11.773 19.334 22.881 1.00 0.00 O ATOM 955 ND2 ASN A 60 11.830 19.474 25.110 1.00 0.00 N ATOM 0 H ASN A 60 15.607 18.178 21.816 1.00 0.00 H new ATOM 0 HA ASN A 60 14.187 19.739 22.181 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.848 17.631 23.717 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.189 18.739 25.031 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.868 19.812 25.145 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.359 19.351 25.973 1.00 0.00 H new ATOM 962 N ILE A 61 15.985 21.550 22.974 1.00 0.00 N ATOM 963 CA ILE A 61 16.512 22.865 23.251 1.00 0.00 C ATOM 964 C ILE A 61 15.557 23.873 22.599 1.00 0.00 C ATOM 965 O ILE A 61 15.517 23.960 21.375 1.00 0.00 O ATOM 966 CB ILE A 61 17.915 22.970 22.661 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.863 22.082 23.482 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.554 24.346 22.488 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.246 21.744 22.928 1.00 0.00 C ATOM 0 H ILE A 61 16.373 21.170 22.111 1.00 0.00 H new ATOM 0 HA ILE A 61 16.584 23.062 24.321 1.00 0.00 H new ATOM 0 HB ILE A 61 17.767 22.646 21.631 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.007 22.565 24.449 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.347 21.140 23.670 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.549 24.234 22.056 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.937 24.953 21.825 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.633 24.835 23.459 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.777 21.110 23.638 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.139 21.217 21.980 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.810 22.664 22.771 1.00 0.00 H new ATOM 981 N GLN A 62 14.801 24.654 23.371 1.00 0.00 N ATOM 982 CA GLN A 62 13.750 25.583 23.006 1.00 0.00 C ATOM 983 C GLN A 62 14.142 27.041 23.247 1.00 0.00 C ATOM 984 O GLN A 62 15.260 27.300 23.696 1.00 0.00 O ATOM 985 CB GLN A 62 12.607 25.284 23.976 1.00 0.00 C ATOM 986 CG GLN A 62 11.959 23.908 24.028 1.00 0.00 C ATOM 987 CD GLN A 62 11.543 23.495 22.621 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.219 24.315 21.762 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.897 22.263 22.279 1.00 0.00 N ATOM 0 H GLN A 62 14.932 24.643 24.382 1.00 0.00 H new ATOM 0 HA GLN A 62 13.513 25.464 21.949 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.975 25.501 24.979 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.814 26.002 23.765 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.657 23.180 24.442 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.090 23.927 24.686 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.164 21.591 22.998 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.902 21.988 21.297 1.00 0.00 H new ATOM 998 N LYS A 63 13.347 27.989 22.766 1.00 0.00 N ATOM 999 CA LYS A 63 13.605 29.416 22.864 1.00 0.00 C ATOM 1000 C LYS A 63 13.954 29.851 24.291 1.00 0.00 C ATOM 1001 O LYS A 63 13.385 29.388 25.277 1.00 0.00 O ATOM 1002 CB LYS A 63 12.356 30.113 22.324 1.00 0.00 C ATOM 1003 CG LYS A 63 12.513 31.632 22.279 1.00 0.00 C ATOM 1004 CD LYS A 63 12.024 32.294 23.563 1.00 0.00 C ATOM 1005 CE LYS A 63 11.877 33.813 23.401 1.00 0.00 C ATOM 1006 NZ LYS A 63 11.278 34.543 24.528 1.00 0.00 N ATOM 0 H LYS A 63 12.476 27.776 22.281 1.00 0.00 H new ATOM 0 HA LYS A 63 14.482 29.693 22.279 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.141 29.742 21.322 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.501 29.857 22.949 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.561 31.884 22.118 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.955 32.029 21.431 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.064 31.865 23.851 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.724 32.081 24.371 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.865 34.232 23.211 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.274 34.004 22.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.355 35.566 24.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.275 34.282 24.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.779 34.298 25.406 1.00 0.00 H new ATOM 1020 N GLU A 64 15.034 30.620 24.387 1.00 0.00 N ATOM 1021 CA GLU A 64 15.623 31.226 25.567 1.00 0.00 C ATOM 1022 C GLU A 64 16.219 30.305 26.628 1.00 0.00 C ATOM 1023 O GLU A 64 16.330 30.596 27.819 1.00 0.00 O ATOM 1024 CB GLU A 64 14.813 32.437 26.044 1.00 0.00 C ATOM 1025 CG GLU A 64 13.693 32.177 27.052 1.00 0.00 C ATOM 1026 CD GLU A 64 13.028 33.488 27.419 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.697 34.327 28.061 1.00 0.00 O ATOM 1028 OE2 GLU A 64 11.874 33.687 26.974 1.00 0.00 O ATOM 0 H GLU A 64 15.570 30.856 23.552 1.00 0.00 H new ATOM 0 HA GLU A 64 16.576 31.631 25.228 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.505 33.153 26.486 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.375 32.916 25.168 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.960 31.491 26.628 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.097 31.699 27.945 1.00 0.00 H new ATOM 1035 N SER A 65 16.872 29.258 26.136 1.00 0.00 N ATOM 1036 CA SER A 65 17.781 28.385 26.866 1.00 0.00 C ATOM 1037 C SER A 65 19.171 29.016 26.796 1.00 0.00 C ATOM 1038 O SER A 65 19.535 29.693 25.830 1.00 0.00 O ATOM 1039 CB SER A 65 17.719 27.020 26.170 1.00 0.00 C ATOM 1040 OG SER A 65 17.850 27.258 24.785 1.00 0.00 O ATOM 0 H SER A 65 16.774 28.981 25.159 1.00 0.00 H new ATOM 0 HA SER A 65 17.524 28.257 27.917 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.517 26.368 26.527 1.00 0.00 H new ATOM 0 HB3 SER A 65 16.776 26.518 26.388 1.00 0.00 H new ATOM 0 HG SER A 65 16.966 27.230 24.363 1.00 0.00 H new ATOM 1046 N THR A 66 19.998 29.006 27.839 1.00 0.00 N ATOM 1047 CA THR A 66 21.412 29.246 27.987 1.00 0.00 C ATOM 1048 C THR A 66 22.104 27.883 27.967 1.00 0.00 C ATOM 1049 O THR A 66 21.690 26.943 28.640 1.00 0.00 O ATOM 1050 CB THR A 66 21.836 30.130 29.169 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.179 31.370 29.061 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.334 30.413 29.276 1.00 0.00 C ATOM 0 H THR A 66 19.605 28.789 28.755 1.00 0.00 H new ATOM 0 HA THR A 66 21.735 29.864 27.149 1.00 0.00 H new ATOM 0 HB THR A 66 21.563 29.566 30.061 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.439 31.945 29.811 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.524 31.045 30.144 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.875 29.473 29.386 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.673 30.923 28.374 1.00 0.00 H new ATOM 1060 N LEU A 67 23.149 27.732 27.160 1.00 0.00 N ATOM 1061 CA LEU A 67 23.893 26.503 26.950 1.00 0.00 C ATOM 1062 C LEU A 67 25.367 26.761 27.265 1.00 0.00 C ATOM 1063 O LEU A 67 25.742 27.879 27.608 1.00 0.00 O ATOM 1064 CB LEU A 67 23.865 26.096 25.483 1.00 0.00 C ATOM 1065 CG LEU A 67 22.559 25.729 24.776 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.758 26.975 24.368 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.967 24.938 23.539 1.00 0.00 C ATOM 0 H LEU A 67 23.516 28.507 26.607 1.00 0.00 H new ATOM 0 HA LEU A 67 23.447 25.734 27.580 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.310 26.916 24.919 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.531 25.240 25.380 1.00 0.00 H new ATOM 0 HG LEU A 67 21.912 25.155 25.439 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.838 26.669 23.869 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.513 27.557 25.256 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.354 27.584 23.688 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.076 24.643 22.985 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.601 25.557 22.904 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.517 24.047 23.842 1.00 0.00 H new ATOM 1079 N HIS A 68 26.258 25.774 27.239 1.00 0.00 N ATOM 1080 CA HIS A 68 27.684 25.909 27.484 1.00 0.00 C ATOM 1081 C HIS A 68 28.512 25.672 26.228 1.00 0.00 C ATOM 1082 O HIS A 68 28.082 24.825 25.436 1.00 0.00 O ATOM 1083 CB HIS A 68 28.110 24.900 28.554 1.00 0.00 C ATOM 1084 CG HIS A 68 27.476 24.991 29.920 1.00 0.00 C ATOM 1085 ND1 HIS A 68 27.289 23.834 30.674 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.950 26.052 30.593 1.00 0.00 C ATOM 1087 CE1 HIS A 68 26.632 24.200 31.776 1.00 0.00 C ATOM 1088 NE2 HIS A 68 26.480 25.531 31.788 1.00 0.00 N ATOM 0 H HIS A 68 25.988 24.812 27.036 1.00 0.00 H new ATOM 0 HA HIS A 68 27.864 26.932 27.816 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.916 23.901 28.164 1.00 0.00 H new ATOM 0 HB3 HIS A 68 29.189 24.988 28.682 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.908 27.080 30.265 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.277 23.526 32.542 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.082 26.074 32.554 1.00 0.00 H new ATOM 1096 N LEU A 69 29.686 26.258 25.999 1.00 0.00 N ATOM 1097 CA LEU A 69 30.658 26.195 24.927 1.00 0.00 C ATOM 1098 C LEU A 69 32.014 25.754 25.479 1.00 0.00 C ATOM 1099 O LEU A 69 32.533 26.240 26.477 1.00 0.00 O ATOM 1100 CB LEU A 69 30.576 27.555 24.229 1.00 0.00 C ATOM 1101 CG LEU A 69 31.344 27.770 22.923 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.779 27.073 21.681 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.546 29.255 22.612 1.00 0.00 C ATOM 0 H LEU A 69 30.030 26.909 26.705 1.00 0.00 H new ATOM 0 HA LEU A 69 30.467 25.437 24.167 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.524 27.758 24.029 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.917 28.309 24.938 1.00 0.00 H new ATOM 0 HG LEU A 69 32.298 27.286 23.130 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.407 27.299 20.819 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.762 25.995 21.845 1.00 0.00 H new ATOM 0 HD13 LEU A 69 29.765 27.428 21.494 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.096 29.359 21.676 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.576 29.743 22.519 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.111 29.722 23.419 1.00 0.00 H new ATOM 1115 N VAL A 70 32.696 24.881 24.741 1.00 0.00 N ATOM 1116 CA VAL A 70 34.016 24.313 24.939 1.00 0.00 C ATOM 1117 C VAL A 70 34.701 24.431 23.585 1.00 0.00 C ATOM 1118 O VAL A 70 34.508 23.809 22.544 1.00 0.00 O ATOM 1119 CB VAL A 70 33.991 22.855 25.415 1.00 0.00 C ATOM 1120 CG1 VAL A 70 35.384 22.335 25.756 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.923 22.709 26.492 1.00 0.00 C ATOM 0 H VAL A 70 32.279 24.514 23.886 1.00 0.00 H new ATOM 0 HA VAL A 70 34.543 24.846 25.731 1.00 0.00 H new ATOM 0 HB VAL A 70 33.693 22.186 24.608 1.00 0.00 H new ATOM 0 HG11 VAL A 70 35.315 21.299 26.088 1.00 0.00 H new ATOM 0 HG12 VAL A 70 36.020 22.391 24.872 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.815 22.943 26.552 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.895 21.676 26.839 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.158 23.367 27.329 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.951 22.980 26.080 1.00 0.00 H new ATOM 1131 N LEU A 71 35.612 25.394 23.458 1.00 0.00 N ATOM 1132 CA LEU A 71 36.387 25.666 22.262 1.00 0.00 C ATOM 1133 C LEU A 71 37.722 24.959 22.472 1.00 0.00 C ATOM 1134 O LEU A 71 38.332 25.093 23.534 1.00 0.00 O ATOM 1135 CB LEU A 71 36.704 27.151 22.098 1.00 0.00 C ATOM 1136 CG LEU A 71 35.546 28.156 21.992 1.00 0.00 C ATOM 1137 CD1 LEU A 71 36.049 29.589 21.840 1.00 0.00 C ATOM 1138 CD2 LEU A 71 34.675 27.858 20.771 1.00 0.00 C ATOM 0 H LEU A 71 35.835 26.031 24.223 1.00 0.00 H new ATOM 0 HA LEU A 71 35.826 25.337 21.387 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.322 27.450 22.944 1.00 0.00 H new ATOM 0 HB3 LEU A 71 37.316 27.259 21.202 1.00 0.00 H new ATOM 0 HG LEU A 71 34.975 28.056 22.915 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.199 30.267 21.768 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.654 29.856 22.706 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.654 29.668 20.937 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.863 28.583 20.718 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.280 27.925 19.867 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.260 26.854 20.856 1.00 0.00 H new ATOM 1150 N ARG A 72 38.286 24.393 21.407 1.00 0.00 N ATOM 1151 CA ARG A 72 39.669 24.150 21.069 1.00 0.00 C ATOM 1152 C ARG A 72 40.189 25.303 20.200 1.00 0.00 C ATOM 1153 O ARG A 72 39.450 26.182 19.773 1.00 0.00 O ATOM 1154 CB ARG A 72 39.881 22.807 20.380 1.00 0.00 C ATOM 1155 CG ARG A 72 39.586 21.625 21.307 1.00 0.00 C ATOM 1156 CD ARG A 72 40.033 20.302 20.693 1.00 0.00 C ATOM 1157 NE ARG A 72 41.462 19.996 20.672 1.00 0.00 N ATOM 1158 CZ ARG A 72 41.895 18.769 20.386 1.00 0.00 C ATOM 1159 NH1 ARG A 72 41.089 17.833 19.865 1.00 0.00 N ATOM 1160 NH2 ARG A 72 43.183 18.450 20.588 1.00 0.00 N ATOM 0 H ARG A 72 37.685 24.048 20.659 1.00 0.00 H new ATOM 0 HA ARG A 72 40.237 24.104 21.998 1.00 0.00 H new ATOM 0 HB2 ARG A 72 39.238 22.746 19.502 1.00 0.00 H new ATOM 0 HB3 ARG A 72 40.910 22.741 20.027 1.00 0.00 H new ATOM 0 HG2 ARG A 72 40.094 21.774 22.260 1.00 0.00 H new ATOM 0 HG3 ARG A 72 38.517 21.586 21.518 1.00 0.00 H new ATOM 0 HD2 ARG A 72 39.529 19.499 21.230 1.00 0.00 H new ATOM 0 HD3 ARG A 72 39.672 20.274 19.665 1.00 0.00 H new ATOM 0 HE ARG A 72 42.137 20.732 20.879 1.00 0.00 H new ATOM 0 HH11 ARG A 72 40.111 18.051 19.675 1.00 0.00 H new ATOM 0 HH12 ARG A 72 41.454 16.903 19.658 1.00 0.00 H new ATOM 0 HH21 ARG A 72 43.829 19.147 20.960 1.00 0.00 H new ATOM 0 HH22 ARG A 72 43.516 17.511 20.370 1.00 0.00 H new ATOM 1174 N LEU A 73 41.498 25.397 19.988 1.00 0.00 N ATOM 1175 CA LEU A 73 42.077 26.334 19.040 1.00 0.00 C ATOM 1176 C LEU A 73 42.982 25.529 18.110 1.00 0.00 C ATOM 1177 O LEU A 73 43.729 24.654 18.538 1.00 0.00 O ATOM 1178 CB LEU A 73 42.687 27.506 19.807 1.00 0.00 C ATOM 1179 CG LEU A 73 43.629 27.106 20.941 1.00 0.00 C ATOM 1180 CD1 LEU A 73 44.995 27.775 20.835 1.00 0.00 C ATOM 1181 CD2 LEU A 73 43.012 27.201 22.339 1.00 0.00 C ATOM 0 H LEU A 73 42.187 24.822 20.472 1.00 0.00 H new ATOM 0 HA LEU A 73 41.360 26.823 18.381 1.00 0.00 H new ATOM 0 HB2 LEU A 73 43.233 28.137 19.105 1.00 0.00 H new ATOM 0 HB3 LEU A 73 41.880 28.112 20.220 1.00 0.00 H new ATOM 0 HG LEU A 73 43.802 26.039 20.799 1.00 0.00 H new ATOM 0 HD11 LEU A 73 45.623 27.454 21.666 1.00 0.00 H new ATOM 0 HD12 LEU A 73 45.467 27.492 19.894 1.00 0.00 H new ATOM 0 HD13 LEU A 73 44.873 28.858 20.869 1.00 0.00 H new ATOM 0 HD21 LEU A 73 43.749 26.899 23.083 1.00 0.00 H new ATOM 0 HD22 LEU A 73 42.702 28.228 22.531 1.00 0.00 H new ATOM 0 HD23 LEU A 73 42.145 26.543 22.399 1.00 0.00 H new ATOM 1193 N ARG A 74 43.077 26.082 16.900 1.00 0.00 N ATOM 1194 CA ARG A 74 43.852 25.688 15.740 1.00 0.00 C ATOM 1195 C ARG A 74 45.010 26.663 15.526 1.00 0.00 C ATOM 1196 O ARG A 74 46.005 26.243 14.929 1.00 0.00 O ATOM 1197 CB ARG A 74 42.907 25.631 14.540 1.00 0.00 C ATOM 1198 CG ARG A 74 43.497 25.233 13.187 1.00 0.00 C ATOM 1199 CD ARG A 74 43.898 23.764 13.147 1.00 0.00 C ATOM 1200 NE ARG A 74 45.128 23.443 12.426 1.00 0.00 N ATOM 1201 CZ ARG A 74 45.645 22.214 12.467 1.00 0.00 C ATOM 1202 NH1 ARG A 74 44.968 21.167 12.969 1.00 0.00 N ATOM 1203 NH2 ARG A 74 46.911 22.003 12.067 1.00 0.00 N ATOM 0 H ARG A 74 42.540 26.924 16.693 1.00 0.00 H new ATOM 0 HA ARG A 74 44.298 24.704 15.881 1.00 0.00 H new ATOM 0 HB2 ARG A 74 42.107 24.929 14.776 1.00 0.00 H new ATOM 0 HB3 ARG A 74 42.447 26.613 14.429 1.00 0.00 H new ATOM 0 HG2 ARG A 74 42.768 25.431 12.402 1.00 0.00 H new ATOM 0 HG3 ARG A 74 44.369 25.852 12.976 1.00 0.00 H new ATOM 0 HD2 ARG A 74 44.002 23.411 14.173 1.00 0.00 H new ATOM 0 HD3 ARG A 74 43.081 23.200 12.697 1.00 0.00 H new ATOM 0 HE ARG A 74 45.597 24.169 11.884 1.00 0.00 H new ATOM 0 HH11 ARG A 74 44.025 21.298 13.336 1.00 0.00 H new ATOM 0 HH12 ARG A 74 45.397 20.242 12.983 1.00 0.00 H new ATOM 0 HH21 ARG A 74 47.477 22.783 11.732 1.00 0.00 H new ATOM 0 HH22 ARG A 74 47.306 21.063 12.099 1.00 0.00 H new ATOM 1217 N GLY A 75 44.981 27.873 16.073 1.00 0.00 N ATOM 1218 CA GLY A 75 46.009 28.899 16.042 1.00 0.00 C ATOM 1219 C GLY A 75 45.465 30.049 15.188 1.00 0.00 C ATOM 1220 O GLY A 75 44.812 29.905 14.153 1.00 0.00 O ATOM 0 H GLY A 75 44.163 28.186 16.595 1.00 0.00 H new ATOM 0 HA2 GLY A 75 46.242 29.243 17.050 1.00 0.00 H new ATOM 0 HA3 GLY A 75 46.933 28.507 15.618 1.00 0.00 H new ATOM 1224 N GLY A 76 45.538 31.248 15.750 1.00 0.00 N ATOM 1225 CA GLY A 76 44.685 32.359 15.351 1.00 0.00 C ATOM 1226 C GLY A 76 45.741 33.440 15.146 1.00 0.00 C ATOM 1227 O GLY A 76 46.695 33.506 15.944 1.00 0.00 O ATOM 1228 OXT GLY A 76 45.555 34.263 14.224 1.00 0.00 O ATOM 0 H GLY A 76 46.193 31.478 16.498 1.00 0.00 H new ATOM 0 HA2 GLY A 76 44.123 32.147 14.442 1.00 0.00 H new ATOM 0 HA3 GLY A 76 43.960 32.625 16.120 1.00 0.00 H new TER 1232 GLY A 76