USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot -67:sc= 1.58 USER MOD Set 1.2: A 9 THR OG1 : rot 34:sc= 0.554 USER MOD Single : A 1 MET CE :methyl -172:sc= -0.0993 (180deg=-0.228) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.916 (180deg=0.835) USER MOD Single : A 2 GLN : amide:sc= 0.111 X(o=0.11,f=-0.11) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.14) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0908 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= 0.307 (180deg=0.0245) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 33 LYS NZ :NH3+ -112:sc= 0.00371 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 1.01 K(o=1,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0195 X(o=-0.019,f=-0.21) USER MOD Single : A 55 THR OG1 : rot -52:sc= 0.501 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.826 USER MOD Single : A 60 ASN : amide:sc=-0.00062 K(o=-0.00062,f=0.71) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 100:sc= 1.07 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 13.544 30.572 16.816 1.00 0.00 N ATOM 2 CA MET A 1 13.551 30.835 18.271 1.00 0.00 C ATOM 3 C MET A 1 14.875 31.488 18.645 1.00 0.00 C ATOM 4 O MET A 1 15.919 31.091 18.127 1.00 0.00 O ATOM 5 CB MET A 1 13.363 29.538 19.054 1.00 0.00 C ATOM 6 CG MET A 1 14.447 28.473 18.988 1.00 0.00 C ATOM 7 SD MET A 1 14.003 26.829 19.610 1.00 0.00 S ATOM 8 CE MET A 1 15.668 26.155 19.360 1.00 0.00 C ATOM 0 H1 MET A 1 12.725 29.978 16.575 1.00 0.00 H new ATOM 0 H2 MET A 1 13.482 31.473 16.301 1.00 0.00 H new ATOM 0 H3 MET A 1 14.420 30.080 16.548 1.00 0.00 H new ATOM 0 HA MET A 1 12.726 31.501 18.522 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.226 29.803 20.102 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.432 29.082 18.716 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.763 28.371 17.950 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.310 28.829 19.550 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.655 25.079 19.536 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.990 26.351 18.337 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.361 26.629 20.056 1.00 0.00 H new ATOM 20 N GLN A 2 14.926 32.423 19.593 1.00 0.00 N ATOM 21 CA GLN A 2 16.117 33.117 20.045 1.00 0.00 C ATOM 22 C GLN A 2 16.735 32.262 21.142 1.00 0.00 C ATOM 23 O GLN A 2 16.003 31.732 21.987 1.00 0.00 O ATOM 24 CB GLN A 2 15.771 34.500 20.601 1.00 0.00 C ATOM 25 CG GLN A 2 15.115 35.458 19.596 1.00 0.00 C ATOM 26 CD GLN A 2 16.076 35.674 18.433 1.00 0.00 C ATOM 27 OE1 GLN A 2 17.208 36.113 18.590 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.540 35.427 17.237 1.00 0.00 N ATOM 0 H GLN A 2 14.089 32.728 20.089 1.00 0.00 H new ATOM 0 HA GLN A 2 16.807 33.264 19.214 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.101 34.376 21.452 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.683 34.962 20.978 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.173 35.043 19.237 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.882 36.409 20.076 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.590 35.061 17.169 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.080 35.604 16.390 1.00 0.00 H new ATOM 37 N ILE A 3 18.047 32.087 21.110 1.00 0.00 N ATOM 38 CA ILE A 3 18.820 31.552 22.214 1.00 0.00 C ATOM 39 C ILE A 3 20.085 32.363 22.472 1.00 0.00 C ATOM 40 O ILE A 3 20.538 33.047 21.559 1.00 0.00 O ATOM 41 CB ILE A 3 19.223 30.111 21.913 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.817 29.856 20.526 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.987 29.223 22.098 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.710 28.617 20.517 1.00 0.00 C ATOM 0 H ILE A 3 18.615 32.319 20.295 1.00 0.00 H new ATOM 0 HA ILE A 3 18.189 31.601 23.102 1.00 0.00 H new ATOM 0 HB ILE A 3 20.029 29.877 22.608 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.012 29.730 19.802 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.396 30.725 20.212 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.249 28.186 21.888 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.629 29.306 23.124 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.202 29.544 21.413 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.114 28.467 19.516 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.530 28.754 21.222 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.124 27.744 20.806 1.00 0.00 H new ATOM 56 N PHE A 4 20.679 32.160 23.645 1.00 0.00 N ATOM 57 CA PHE A 4 22.088 32.377 23.942 1.00 0.00 C ATOM 58 C PHE A 4 22.888 31.101 23.684 1.00 0.00 C ATOM 59 O PHE A 4 22.709 30.105 24.382 1.00 0.00 O ATOM 60 CB PHE A 4 22.160 32.891 25.371 1.00 0.00 C ATOM 61 CG PHE A 4 21.525 34.180 25.865 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.235 35.244 25.007 1.00 0.00 C ATOM 63 CD2 PHE A 4 21.499 34.463 27.234 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.527 36.371 25.478 1.00 0.00 C ATOM 65 CE2 PHE A 4 20.820 35.584 27.727 1.00 0.00 C ATOM 66 CZ PHE A 4 20.286 36.525 26.845 1.00 0.00 C ATOM 0 H PHE A 4 20.161 31.822 24.456 1.00 0.00 H new ATOM 0 HA PHE A 4 22.545 33.121 23.289 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.752 32.097 25.996 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.221 32.969 25.608 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.555 35.204 23.976 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.011 33.807 27.922 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.171 37.115 24.780 1.00 0.00 H new ATOM 0 HE2 PHE A 4 20.709 35.721 28.793 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.699 37.354 27.212 1.00 0.00 H new ATOM 76 N VAL A 5 23.967 31.279 22.933 1.00 0.00 N ATOM 77 CA VAL A 5 25.155 30.452 23.059 1.00 0.00 C ATOM 78 C VAL A 5 26.023 31.286 24.006 1.00 0.00 C ATOM 79 O VAL A 5 26.340 32.407 23.626 1.00 0.00 O ATOM 80 CB VAL A 5 25.853 30.210 21.722 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.992 29.191 21.799 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.925 29.703 20.612 1.00 0.00 C ATOM 0 H VAL A 5 24.041 32.003 22.218 1.00 0.00 H new ATOM 0 HA VAL A 5 24.938 29.447 23.421 1.00 0.00 H new ATOM 0 HB VAL A 5 26.230 31.204 21.483 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.440 29.071 20.813 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.748 29.543 22.501 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.600 28.232 22.139 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.499 29.557 19.697 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.478 28.756 20.915 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.137 30.435 20.434 1.00 0.00 H new ATOM 92 N LYS A 6 26.262 30.881 25.254 1.00 0.00 N ATOM 93 CA LYS A 6 27.225 31.507 26.146 1.00 0.00 C ATOM 94 C LYS A 6 28.535 30.726 26.168 1.00 0.00 C ATOM 95 O LYS A 6 28.673 29.498 26.204 1.00 0.00 O ATOM 96 CB LYS A 6 26.712 31.570 27.590 1.00 0.00 C ATOM 97 CG LYS A 6 26.015 32.865 28.006 1.00 0.00 C ATOM 98 CD LYS A 6 25.573 32.894 29.464 1.00 0.00 C ATOM 99 CE LYS A 6 25.069 34.303 29.792 1.00 0.00 C ATOM 100 NZ LYS A 6 24.296 34.355 31.049 1.00 0.00 N ATOM 0 H LYS A 6 25.777 30.090 25.678 1.00 0.00 H new ATOM 0 HA LYS A 6 27.379 32.516 25.763 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.018 30.744 27.743 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.556 31.405 28.260 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.689 33.702 27.825 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.143 33.016 27.370 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.785 32.161 29.635 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.404 32.628 30.117 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.920 34.980 29.865 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.446 34.661 28.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.980 35.331 31.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.468 33.731 30.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.895 34.040 31.838 1.00 0.00 H new ATOM 114 N THR A 7 29.590 31.531 26.062 1.00 0.00 N ATOM 115 CA THR A 7 30.933 30.993 26.130 1.00 0.00 C ATOM 116 C THR A 7 31.385 30.977 27.598 1.00 0.00 C ATOM 117 O THR A 7 31.140 31.933 28.324 1.00 0.00 O ATOM 118 CB THR A 7 31.932 31.877 25.381 1.00 0.00 C ATOM 119 OG1 THR A 7 32.193 33.130 25.972 1.00 0.00 O ATOM 120 CG2 THR A 7 31.570 32.117 23.916 1.00 0.00 C ATOM 0 H THR A 7 29.537 32.541 25.931 1.00 0.00 H new ATOM 0 HA THR A 7 30.912 29.998 25.686 1.00 0.00 H new ATOM 0 HB THR A 7 32.838 31.275 25.445 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.387 33.685 25.931 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.326 32.752 23.454 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.527 31.163 23.391 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.598 32.608 23.857 1.00 0.00 H new ATOM 128 N LEU A 8 32.095 29.929 27.983 1.00 0.00 N ATOM 129 CA LEU A 8 32.859 29.998 29.220 1.00 0.00 C ATOM 130 C LEU A 8 34.010 31.009 29.240 1.00 0.00 C ATOM 131 O LEU A 8 34.683 31.157 30.260 1.00 0.00 O ATOM 132 CB LEU A 8 33.482 28.609 29.380 1.00 0.00 C ATOM 133 CG LEU A 8 32.479 27.589 29.914 1.00 0.00 C ATOM 134 CD1 LEU A 8 31.504 27.057 28.868 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.144 26.421 30.637 1.00 0.00 C ATOM 0 H LEU A 8 32.159 29.046 27.476 1.00 0.00 H new ATOM 0 HA LEU A 8 32.177 30.316 30.009 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.865 28.271 28.417 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.333 28.670 30.058 1.00 0.00 H new ATOM 0 HG LEU A 8 31.896 28.162 30.635 1.00 0.00 H new ATOM 0 HD11 LEU A 8 30.828 26.339 29.332 1.00 0.00 H new ATOM 0 HD12 LEU A 8 30.927 27.884 28.455 1.00 0.00 H new ATOM 0 HD13 LEU A 8 32.060 26.567 28.068 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.379 25.731 30.993 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.811 25.900 29.950 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.717 26.797 31.485 1.00 0.00 H new ATOM 147 N THR A 9 34.419 31.609 28.123 1.00 0.00 N ATOM 148 CA THR A 9 35.351 32.720 28.124 1.00 0.00 C ATOM 149 C THR A 9 34.743 34.073 28.477 1.00 0.00 C ATOM 150 O THR A 9 35.561 34.981 28.627 1.00 0.00 O ATOM 151 CB THR A 9 35.936 32.712 26.714 1.00 0.00 C ATOM 152 OG1 THR A 9 34.913 32.527 25.758 1.00 0.00 O ATOM 153 CG2 THR A 9 36.971 31.622 26.429 1.00 0.00 C ATOM 0 H THR A 9 34.108 31.332 27.192 1.00 0.00 H new ATOM 0 HA THR A 9 36.096 32.589 28.908 1.00 0.00 H new ATOM 0 HB THR A 9 36.433 33.679 26.644 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.092 32.963 26.069 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.319 31.710 25.400 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.816 31.736 27.108 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.517 30.642 26.576 1.00 0.00 H new ATOM 161 N GLY A 10 33.421 34.241 28.453 1.00 0.00 N ATOM 162 CA GLY A 10 32.725 35.291 29.161 1.00 0.00 C ATOM 163 C GLY A 10 31.758 36.083 28.285 1.00 0.00 C ATOM 164 O GLY A 10 31.022 36.923 28.807 1.00 0.00 O ATOM 0 H GLY A 10 32.798 33.630 27.925 1.00 0.00 H new ATOM 0 HA2 GLY A 10 32.173 34.853 29.992 1.00 0.00 H new ATOM 0 HA3 GLY A 10 33.457 35.975 29.590 1.00 0.00 H new ATOM 168 N LYS A 11 31.810 35.930 26.961 1.00 0.00 N ATOM 169 CA LYS A 11 30.950 36.593 26.003 1.00 0.00 C ATOM 170 C LYS A 11 29.622 35.848 25.866 1.00 0.00 C ATOM 171 O LYS A 11 29.650 34.623 25.744 1.00 0.00 O ATOM 172 CB LYS A 11 31.618 36.643 24.628 1.00 0.00 C ATOM 173 CG LYS A 11 32.846 37.556 24.620 1.00 0.00 C ATOM 174 CD LYS A 11 33.816 37.325 23.463 1.00 0.00 C ATOM 175 CE LYS A 11 34.864 38.386 23.138 1.00 0.00 C ATOM 176 NZ LYS A 11 35.872 37.819 22.230 1.00 0.00 N ATOM 0 H LYS A 11 32.487 35.310 26.516 1.00 0.00 H new ATOM 0 HA LYS A 11 30.770 37.605 26.366 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.913 35.636 24.331 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.899 36.996 23.888 1.00 0.00 H new ATOM 0 HG2 LYS A 11 32.509 38.592 24.590 1.00 0.00 H new ATOM 0 HG3 LYS A 11 33.385 37.423 25.558 1.00 0.00 H new ATOM 0 HD2 LYS A 11 34.345 36.393 23.662 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.220 37.168 22.564 1.00 0.00 H new ATOM 0 HE2 LYS A 11 34.389 39.252 22.676 1.00 0.00 H new ATOM 0 HE3 LYS A 11 35.340 38.735 24.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 36.364 38.589 21.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 36.561 37.265 22.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 35.405 37.201 21.536 1.00 0.00 H new ATOM 190 N THR A 12 28.477 36.528 25.812 1.00 0.00 N ATOM 191 CA THR A 12 27.180 35.956 25.502 1.00 0.00 C ATOM 192 C THR A 12 26.931 36.223 24.016 1.00 0.00 C ATOM 193 O THR A 12 26.906 37.334 23.490 1.00 0.00 O ATOM 194 CB THR A 12 26.059 36.680 26.246 1.00 0.00 C ATOM 195 OG1 THR A 12 26.252 36.548 27.637 1.00 0.00 O ATOM 196 CG2 THR A 12 24.668 36.141 25.928 1.00 0.00 C ATOM 0 H THR A 12 28.433 37.531 25.991 1.00 0.00 H new ATOM 0 HA THR A 12 27.183 34.901 25.776 1.00 0.00 H new ATOM 0 HB THR A 12 26.106 37.718 25.918 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.533 37.014 28.113 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.923 36.702 26.492 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.472 36.247 24.861 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.614 35.088 26.204 1.00 0.00 H new ATOM 204 N ILE A 13 26.635 35.203 23.219 1.00 0.00 N ATOM 205 CA ILE A 13 26.466 35.251 21.779 1.00 0.00 C ATOM 206 C ILE A 13 24.970 34.951 21.635 1.00 0.00 C ATOM 207 O ILE A 13 24.563 33.798 21.799 1.00 0.00 O ATOM 208 CB ILE A 13 27.305 34.166 21.097 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.759 34.211 21.556 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.131 34.400 19.602 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.454 35.570 21.620 1.00 0.00 C ATOM 0 H ILE A 13 26.499 34.262 23.589 1.00 0.00 H new ATOM 0 HA ILE A 13 26.779 36.191 21.324 1.00 0.00 H new ATOM 0 HB ILE A 13 26.977 33.161 21.362 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.809 33.765 22.549 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.338 33.572 20.890 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.706 33.658 19.048 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.077 34.312 19.340 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.486 35.398 19.346 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.480 35.438 21.963 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.458 36.024 20.629 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.920 36.219 22.314 1.00 0.00 H new ATOM 223 N THR A 14 24.149 35.939 21.319 1.00 0.00 N ATOM 224 CA THR A 14 22.858 35.686 20.725 1.00 0.00 C ATOM 225 C THR A 14 22.986 34.947 19.393 1.00 0.00 C ATOM 226 O THR A 14 23.836 35.233 18.549 1.00 0.00 O ATOM 227 CB THR A 14 22.036 36.982 20.654 1.00 0.00 C ATOM 228 OG1 THR A 14 21.751 37.376 21.977 1.00 0.00 O ATOM 229 CG2 THR A 14 20.707 36.908 19.908 1.00 0.00 C ATOM 0 H THR A 14 24.360 36.926 21.467 1.00 0.00 H new ATOM 0 HA THR A 14 22.296 35.007 21.367 1.00 0.00 H new ATOM 0 HB THR A 14 22.651 37.682 20.088 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.227 38.204 21.966 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.223 37.885 19.929 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.886 36.613 18.874 1.00 0.00 H new ATOM 0 HG23 THR A 14 20.061 36.173 20.388 1.00 0.00 H new ATOM 237 N LEU A 15 22.129 33.958 19.185 1.00 0.00 N ATOM 238 CA LEU A 15 21.983 33.120 18.011 1.00 0.00 C ATOM 239 C LEU A 15 20.497 32.963 17.688 1.00 0.00 C ATOM 240 O LEU A 15 19.662 32.943 18.585 1.00 0.00 O ATOM 241 CB LEU A 15 22.586 31.720 18.181 1.00 0.00 C ATOM 242 CG LEU A 15 23.663 31.379 17.145 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.956 32.058 17.590 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.777 29.854 17.115 1.00 0.00 C ATOM 0 H LEU A 15 21.455 33.700 19.906 1.00 0.00 H new ATOM 0 HA LEU A 15 22.525 33.616 17.206 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.017 31.639 19.179 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.787 30.981 18.118 1.00 0.00 H new ATOM 0 HG LEU A 15 23.431 31.729 16.139 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.748 31.837 16.874 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.802 33.136 17.640 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.242 31.686 18.574 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.535 29.560 16.389 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.061 29.491 18.103 1.00 0.00 H new ATOM 0 HD23 LEU A 15 22.817 29.423 16.832 1.00 0.00 H new ATOM 256 N GLU A 16 20.202 32.991 16.386 1.00 0.00 N ATOM 257 CA GLU A 16 18.864 32.777 15.874 1.00 0.00 C ATOM 258 C GLU A 16 18.982 31.435 15.154 1.00 0.00 C ATOM 259 O GLU A 16 19.826 31.242 14.279 1.00 0.00 O ATOM 260 CB GLU A 16 18.362 33.963 15.037 1.00 0.00 C ATOM 261 CG GLU A 16 17.047 33.615 14.328 1.00 0.00 C ATOM 262 CD GLU A 16 16.119 34.784 14.063 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.430 35.927 14.445 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.993 34.552 13.578 1.00 0.00 O ATOM 0 H GLU A 16 20.897 33.165 15.659 1.00 0.00 H new ATOM 0 HA GLU A 16 18.088 32.729 16.637 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.214 34.831 15.680 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.116 34.238 14.299 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.283 33.138 13.377 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.514 32.879 14.930 1.00 0.00 H new ATOM 271 N VAL A 17 18.190 30.438 15.541 1.00 0.00 N ATOM 272 CA VAL A 17 18.143 29.080 15.058 1.00 0.00 C ATOM 273 C VAL A 17 16.656 28.789 14.856 1.00 0.00 C ATOM 274 O VAL A 17 15.774 29.222 15.589 1.00 0.00 O ATOM 275 CB VAL A 17 18.923 28.190 16.028 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.416 28.413 15.844 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.427 28.300 17.469 1.00 0.00 C ATOM 0 H VAL A 17 17.499 30.588 16.276 1.00 0.00 H new ATOM 0 HA VAL A 17 18.634 28.887 14.104 1.00 0.00 H new ATOM 0 HB VAL A 17 18.731 27.146 15.782 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.967 27.777 16.537 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.698 28.164 14.821 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.655 29.458 16.042 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.019 27.646 18.109 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.528 29.330 17.811 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.379 28.003 17.517 1.00 0.00 H new ATOM 287 N GLU A 18 16.419 27.735 14.079 1.00 0.00 N ATOM 288 CA GLU A 18 15.160 27.014 14.055 1.00 0.00 C ATOM 289 C GLU A 18 15.449 25.651 14.663 1.00 0.00 C ATOM 290 O GLU A 18 16.618 25.274 14.770 1.00 0.00 O ATOM 291 CB GLU A 18 14.633 27.015 12.614 1.00 0.00 C ATOM 292 CG GLU A 18 14.225 28.351 12.003 1.00 0.00 C ATOM 293 CD GLU A 18 13.195 29.202 12.734 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.446 28.606 13.544 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.099 30.398 12.398 1.00 0.00 O ATOM 0 H GLU A 18 17.115 27.355 13.437 1.00 0.00 H new ATOM 0 HA GLU A 18 14.358 27.462 14.642 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.401 26.577 11.977 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.769 26.351 12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.127 28.951 11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.841 28.154 11.002 1.00 0.00 H new ATOM 302 N PRO A 19 14.437 24.888 15.101 1.00 0.00 N ATOM 303 CA PRO A 19 14.659 23.761 15.975 1.00 0.00 C ATOM 304 C PRO A 19 14.922 22.504 15.130 1.00 0.00 C ATOM 305 O PRO A 19 15.534 21.554 15.602 1.00 0.00 O ATOM 306 CB PRO A 19 13.409 23.691 16.844 1.00 0.00 C ATOM 307 CG PRO A 19 12.309 24.111 15.866 1.00 0.00 C ATOM 308 CD PRO A 19 13.022 25.138 14.983 1.00 0.00 C ATOM 0 HA PRO A 19 15.537 23.852 16.615 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.243 22.688 17.237 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.471 24.363 17.700 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.938 23.266 15.286 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.452 24.545 16.381 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.699 25.045 13.946 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.782 26.153 15.301 1.00 0.00 H new ATOM 316 N SER A 20 14.511 22.443 13.862 1.00 0.00 N ATOM 317 CA SER A 20 14.993 21.560 12.820 1.00 0.00 C ATOM 318 C SER A 20 16.408 21.785 12.298 1.00 0.00 C ATOM 319 O SER A 20 16.892 21.019 11.455 1.00 0.00 O ATOM 320 CB SER A 20 14.063 21.560 11.616 1.00 0.00 C ATOM 321 OG SER A 20 13.508 22.849 11.428 1.00 0.00 O ATOM 0 H SER A 20 13.775 23.061 13.520 1.00 0.00 H new ATOM 0 HA SER A 20 15.013 20.604 13.343 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.611 21.258 10.724 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.266 20.831 11.762 1.00 0.00 H new ATOM 0 HG SER A 20 12.913 22.838 10.650 1.00 0.00 H new ATOM 327 N ASP A 21 17.104 22.836 12.711 1.00 0.00 N ATOM 328 CA ASP A 21 18.460 23.023 12.231 1.00 0.00 C ATOM 329 C ASP A 21 19.439 22.012 12.828 1.00 0.00 C ATOM 330 O ASP A 21 19.439 21.730 14.020 1.00 0.00 O ATOM 331 CB ASP A 21 18.988 24.413 12.579 1.00 0.00 C ATOM 332 CG ASP A 21 18.188 25.622 12.124 1.00 0.00 C ATOM 333 OD1 ASP A 21 17.418 25.526 11.142 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.517 26.740 12.567 1.00 0.00 O ATOM 0 H ASP A 21 16.764 23.549 13.356 1.00 0.00 H new ATOM 0 HA ASP A 21 18.402 22.887 11.151 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.088 24.469 13.663 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.991 24.502 12.162 1.00 0.00 H new ATOM 339 N THR A 22 20.317 21.487 11.975 1.00 0.00 N ATOM 340 CA THR A 22 21.481 20.676 12.267 1.00 0.00 C ATOM 341 C THR A 22 22.500 21.400 13.148 1.00 0.00 C ATOM 342 O THR A 22 22.874 22.540 12.900 1.00 0.00 O ATOM 343 CB THR A 22 22.020 19.961 11.029 1.00 0.00 C ATOM 344 OG1 THR A 22 22.513 21.006 10.216 1.00 0.00 O ATOM 345 CG2 THR A 22 21.004 19.142 10.232 1.00 0.00 C ATOM 0 H THR A 22 20.215 21.637 10.971 1.00 0.00 H new ATOM 0 HA THR A 22 21.166 19.850 12.904 1.00 0.00 H new ATOM 0 HB THR A 22 22.756 19.221 11.344 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.884 20.631 9.390 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.499 18.681 9.377 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.582 18.365 10.870 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.206 19.795 9.880 1.00 0.00 H new ATOM 353 N ILE A 23 23.128 20.661 14.056 1.00 0.00 N ATOM 354 CA ILE A 23 24.339 21.051 14.738 1.00 0.00 C ATOM 355 C ILE A 23 25.483 21.626 13.889 1.00 0.00 C ATOM 356 O ILE A 23 26.037 22.617 14.363 1.00 0.00 O ATOM 357 CB ILE A 23 24.682 20.049 15.845 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.691 20.175 17.005 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.147 20.085 16.255 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.840 19.187 18.159 1.00 0.00 C ATOM 0 H ILE A 23 22.789 19.742 14.342 1.00 0.00 H new ATOM 0 HA ILE A 23 24.119 21.986 15.253 1.00 0.00 H new ATOM 0 HB ILE A 23 24.561 19.043 15.442 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.772 21.183 17.411 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.684 20.074 16.601 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.323 19.352 17.042 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.772 19.849 15.394 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.397 21.080 16.623 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.077 19.388 18.911 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.722 18.170 17.785 1.00 0.00 H new ATOM 0 HD13 ILE A 23 24.828 19.297 18.607 1.00 0.00 H new ATOM 372 N GLU A 24 25.626 21.242 12.631 1.00 0.00 N ATOM 373 CA GLU A 24 26.448 21.759 11.550 1.00 0.00 C ATOM 374 C GLU A 24 26.153 23.249 11.404 1.00 0.00 C ATOM 375 O GLU A 24 27.074 24.048 11.585 1.00 0.00 O ATOM 376 CB GLU A 24 26.170 21.004 10.257 1.00 0.00 C ATOM 377 CG GLU A 24 27.188 21.190 9.124 1.00 0.00 C ATOM 378 CD GLU A 24 28.429 20.372 9.410 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.326 19.452 10.257 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.524 20.596 8.845 1.00 0.00 O ATOM 0 H GLU A 24 25.087 20.442 12.298 1.00 0.00 H new ATOM 0 HA GLU A 24 27.505 21.619 11.775 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.108 19.941 10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.190 21.307 9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.749 20.882 8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 24 27.450 22.244 9.028 1.00 0.00 H new ATOM 387 N ASN A 25 24.899 23.650 11.195 1.00 0.00 N ATOM 388 CA ASN A 25 24.492 24.993 10.861 1.00 0.00 C ATOM 389 C ASN A 25 24.558 25.931 12.071 1.00 0.00 C ATOM 390 O ASN A 25 24.602 27.136 11.830 1.00 0.00 O ATOM 391 CB ASN A 25 23.106 24.936 10.226 1.00 0.00 C ATOM 392 CG ASN A 25 22.788 26.214 9.452 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.566 26.706 8.649 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.518 26.589 9.316 1.00 0.00 N ATOM 0 H ASN A 25 24.110 23.007 11.260 1.00 0.00 H new ATOM 0 HA ASN A 25 25.189 25.418 10.139 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.048 24.079 9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.356 24.784 11.002 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.256 27.244 8.579 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.807 26.222 9.949 1.00 0.00 H new ATOM 401 N VAL A 26 24.384 25.379 13.274 1.00 0.00 N ATOM 402 CA VAL A 26 24.409 26.022 14.569 1.00 0.00 C ATOM 403 C VAL A 26 25.820 26.453 14.959 1.00 0.00 C ATOM 404 O VAL A 26 25.954 27.615 15.347 1.00 0.00 O ATOM 405 CB VAL A 26 23.775 25.210 15.703 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.599 25.977 17.021 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.387 24.711 15.302 1.00 0.00 C ATOM 0 H VAL A 26 24.206 24.378 13.363 1.00 0.00 H new ATOM 0 HA VAL A 26 23.781 26.903 14.441 1.00 0.00 H new ATOM 0 HB VAL A 26 24.480 24.396 15.870 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.143 25.323 17.765 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.572 26.312 17.380 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.956 26.842 16.856 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.956 24.137 16.122 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.745 25.563 15.078 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.469 24.077 14.419 1.00 0.00 H new ATOM 417 N LYS A 27 26.806 25.568 14.891 1.00 0.00 N ATOM 418 CA LYS A 27 28.233 25.800 14.997 1.00 0.00 C ATOM 419 C LYS A 27 28.754 26.831 13.997 1.00 0.00 C ATOM 420 O LYS A 27 29.660 27.525 14.440 1.00 0.00 O ATOM 421 CB LYS A 27 29.066 24.538 14.777 1.00 0.00 C ATOM 422 CG LYS A 27 29.110 23.499 15.897 1.00 0.00 C ATOM 423 CD LYS A 27 29.622 22.187 15.296 1.00 0.00 C ATOM 424 CE LYS A 27 30.039 21.245 16.423 1.00 0.00 C ATOM 425 NZ LYS A 27 30.580 20.004 15.836 1.00 0.00 N ATOM 0 H LYS A 27 26.603 24.579 14.747 1.00 0.00 H new ATOM 0 HA LYS A 27 28.348 26.164 16.018 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.693 24.045 13.879 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.090 24.847 14.569 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.765 23.832 16.702 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.119 23.361 16.329 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.844 21.724 14.688 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.468 22.381 14.637 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.789 21.722 17.054 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.184 21.019 17.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.960 19.399 16.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.822 19.498 15.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.340 20.239 15.166 1.00 0.00 H new ATOM 439 N ALA A 28 28.419 26.846 12.710 1.00 0.00 N ATOM 440 CA ALA A 28 28.886 27.660 11.614 1.00 0.00 C ATOM 441 C ALA A 28 28.573 29.158 11.729 1.00 0.00 C ATOM 442 O ALA A 28 29.102 30.020 11.035 1.00 0.00 O ATOM 443 CB ALA A 28 28.323 27.117 10.305 1.00 0.00 C ATOM 0 H ALA A 28 27.713 26.190 12.376 1.00 0.00 H new ATOM 0 HA ALA A 28 29.974 27.592 11.643 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.675 27.731 9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.658 26.089 10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.234 27.142 10.339 1.00 0.00 H new ATOM 449 N LYS A 29 27.622 29.449 12.621 1.00 0.00 N ATOM 450 CA LYS A 29 27.179 30.804 12.878 1.00 0.00 C ATOM 451 C LYS A 29 28.238 31.470 13.761 1.00 0.00 C ATOM 452 O LYS A 29 28.395 32.659 13.505 1.00 0.00 O ATOM 453 CB LYS A 29 25.815 30.862 13.570 1.00 0.00 C ATOM 454 CG LYS A 29 24.607 30.406 12.747 1.00 0.00 C ATOM 455 CD LYS A 29 23.375 31.314 12.787 1.00 0.00 C ATOM 456 CE LYS A 29 22.121 30.760 12.091 1.00 0.00 C ATOM 457 NZ LYS A 29 21.135 31.747 11.635 1.00 0.00 N ATOM 0 H LYS A 29 27.143 28.744 13.181 1.00 0.00 H new ATOM 0 HA LYS A 29 27.060 31.321 11.926 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.864 30.250 14.471 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.640 31.889 13.892 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.921 30.301 11.708 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.313 29.415 13.092 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.130 31.519 13.829 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.633 32.268 12.327 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.440 30.173 11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.625 30.074 12.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.701 31.420 10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.398 31.862 12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.607 32.660 11.473 1.00 0.00 H new ATOM 471 N ILE A 30 28.918 30.743 14.645 1.00 0.00 N ATOM 472 CA ILE A 30 29.776 31.286 15.674 1.00 0.00 C ATOM 473 C ILE A 30 31.122 31.633 15.036 1.00 0.00 C ATOM 474 O ILE A 30 31.739 32.568 15.551 1.00 0.00 O ATOM 475 CB ILE A 30 29.842 30.313 16.852 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.459 30.221 17.499 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.824 30.597 17.990 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.971 28.797 17.749 1.00 0.00 C ATOM 0 H ILE A 30 28.879 29.724 14.658 1.00 0.00 H new ATOM 0 HA ILE A 30 29.387 32.212 16.097 1.00 0.00 H new ATOM 0 HB ILE A 30 30.207 29.402 16.378 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.479 30.756 18.448 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.738 30.732 16.860 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.745 29.813 18.743 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.840 30.621 17.596 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.588 31.560 18.443 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.984 28.826 18.210 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.914 28.260 16.802 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.667 28.286 18.414 1.00 0.00 H new ATOM 490 N GLN A 31 31.441 31.019 13.902 1.00 0.00 N ATOM 491 CA GLN A 31 32.484 31.363 12.947 1.00 0.00 C ATOM 492 C GLN A 31 32.210 32.682 12.215 1.00 0.00 C ATOM 493 O GLN A 31 33.123 33.495 12.119 1.00 0.00 O ATOM 494 CB GLN A 31 32.684 30.246 11.925 1.00 0.00 C ATOM 495 CG GLN A 31 34.098 30.238 11.340 1.00 0.00 C ATOM 496 CD GLN A 31 34.409 29.194 10.278 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.663 28.245 10.031 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.578 29.288 9.643 1.00 0.00 N ATOM 0 H GLN A 31 30.927 30.191 13.602 1.00 0.00 H new ATOM 0 HA GLN A 31 33.395 31.491 13.532 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.484 29.284 12.398 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.960 30.361 11.118 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.291 31.222 10.912 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.802 30.103 12.161 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.204 30.069 9.839 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.846 28.579 8.961 1.00 0.00 H new ATOM 507 N ASP A 32 30.959 32.993 11.909 1.00 0.00 N ATOM 508 CA ASP A 32 30.546 34.269 11.366 1.00 0.00 C ATOM 509 C ASP A 32 30.526 35.361 12.441 1.00 0.00 C ATOM 510 O ASP A 32 30.784 36.536 12.178 1.00 0.00 O ATOM 511 CB ASP A 32 29.255 34.020 10.590 1.00 0.00 C ATOM 512 CG ASP A 32 28.672 35.246 9.903 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.070 35.585 8.765 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.710 35.856 10.427 1.00 0.00 O ATOM 0 H ASP A 32 30.184 32.342 12.037 1.00 0.00 H new ATOM 0 HA ASP A 32 31.262 34.684 10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.443 33.255 9.837 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.509 33.616 11.275 1.00 0.00 H new ATOM 519 N LYS A 33 30.205 35.020 13.682 1.00 0.00 N ATOM 520 CA LYS A 33 30.001 35.943 14.771 1.00 0.00 C ATOM 521 C LYS A 33 31.354 36.342 15.358 1.00 0.00 C ATOM 522 O LYS A 33 31.911 37.382 15.027 1.00 0.00 O ATOM 523 CB LYS A 33 29.161 35.320 15.900 1.00 0.00 C ATOM 524 CG LYS A 33 27.674 35.111 15.609 1.00 0.00 C ATOM 525 CD LYS A 33 26.843 36.379 15.816 1.00 0.00 C ATOM 526 CE LYS A 33 25.332 36.139 15.710 1.00 0.00 C ATOM 527 NZ LYS A 33 24.511 37.278 16.141 1.00 0.00 N ATOM 0 H LYS A 33 30.076 34.047 13.961 1.00 0.00 H new ATOM 0 HA LYS A 33 29.470 36.807 14.371 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.597 34.355 16.157 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.250 35.955 16.782 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.555 34.768 14.581 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.290 34.321 16.255 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.069 36.797 16.797 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.138 37.123 15.076 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.085 35.898 14.676 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.070 35.268 16.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.005 37.030 17.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.123 38.100 16.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.823 37.511 15.397 1.00 0.00 H new ATOM 541 N GLU A 34 31.948 35.464 16.155 1.00 0.00 N ATOM 542 CA GLU A 34 33.221 35.720 16.787 1.00 0.00 C ATOM 543 C GLU A 34 34.421 35.052 16.101 1.00 0.00 C ATOM 544 O GLU A 34 35.522 35.482 16.443 1.00 0.00 O ATOM 545 CB GLU A 34 33.147 35.026 18.146 1.00 0.00 C ATOM 546 CG GLU A 34 32.716 35.985 19.251 1.00 0.00 C ATOM 547 CD GLU A 34 33.712 37.065 19.655 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.857 36.688 20.012 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.310 38.236 19.528 1.00 0.00 O ATOM 0 H GLU A 34 31.552 34.551 16.378 1.00 0.00 H new ATOM 0 HA GLU A 34 33.371 36.800 16.782 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.444 34.195 18.092 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.121 34.603 18.391 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.795 36.474 18.935 1.00 0.00 H new ATOM 0 HG3 GLU A 34 32.476 35.396 20.137 1.00 0.00 H new ATOM 556 N GLY A 35 34.265 34.078 15.216 1.00 0.00 N ATOM 557 CA GLY A 35 35.420 33.570 14.507 1.00 0.00 C ATOM 558 C GLY A 35 35.825 32.207 15.061 1.00 0.00 C ATOM 559 O GLY A 35 36.690 31.588 14.444 1.00 0.00 O ATOM 0 H GLY A 35 33.376 33.637 14.979 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.194 33.485 13.444 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.250 34.270 14.602 1.00 0.00 H new ATOM 563 N ILE A 36 35.155 31.683 16.079 1.00 0.00 N ATOM 564 CA ILE A 36 35.589 30.377 16.551 1.00 0.00 C ATOM 565 C ILE A 36 35.077 29.356 15.542 1.00 0.00 C ATOM 566 O ILE A 36 33.913 29.516 15.189 1.00 0.00 O ATOM 567 CB ILE A 36 34.919 29.986 17.874 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.973 31.165 18.859 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.389 28.697 18.530 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.429 30.933 20.267 1.00 0.00 C ATOM 0 H ILE A 36 34.364 32.106 16.565 1.00 0.00 H new ATOM 0 HA ILE A 36 36.671 30.405 16.676 1.00 0.00 H new ATOM 0 HB ILE A 36 33.890 29.756 17.598 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.012 31.482 18.948 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.423 31.997 18.419 1.00 0.00 H new ATOM 0 HG21 ILE A 36 34.836 28.538 19.456 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.214 27.860 17.854 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.454 28.768 18.751 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.531 31.847 20.852 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.377 30.654 20.209 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.991 30.131 20.747 1.00 0.00 H new ATOM 582 N PRO A 37 35.821 28.402 14.990 1.00 0.00 N ATOM 583 CA PRO A 37 35.398 27.488 13.953 1.00 0.00 C ATOM 584 C PRO A 37 34.604 26.312 14.536 1.00 0.00 C ATOM 585 O PRO A 37 34.976 25.882 15.621 1.00 0.00 O ATOM 586 CB PRO A 37 36.664 27.049 13.218 1.00 0.00 C ATOM 587 CG PRO A 37 37.720 27.109 14.324 1.00 0.00 C ATOM 588 CD PRO A 37 37.248 28.247 15.231 1.00 0.00 C ATOM 0 HA PRO A 37 34.713 27.967 13.253 1.00 0.00 H new ATOM 0 HB2 PRO A 37 36.566 26.046 12.803 1.00 0.00 H new ATOM 0 HB3 PRO A 37 36.905 27.715 12.389 1.00 0.00 H new ATOM 0 HG2 PRO A 37 37.782 26.166 14.867 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.712 27.308 13.918 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.442 28.014 16.278 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.782 29.170 15.005 1.00 0.00 H new ATOM 596 N PRO A 38 33.653 25.704 13.843 1.00 0.00 N ATOM 597 CA PRO A 38 33.131 24.424 14.270 1.00 0.00 C ATOM 598 C PRO A 38 34.090 23.366 14.825 1.00 0.00 C ATOM 599 O PRO A 38 33.743 22.713 15.803 1.00 0.00 O ATOM 600 CB PRO A 38 32.275 23.927 13.100 1.00 0.00 C ATOM 601 CG PRO A 38 32.051 25.144 12.201 1.00 0.00 C ATOM 602 CD PRO A 38 33.137 26.159 12.569 1.00 0.00 C ATOM 0 HA PRO A 38 32.567 24.595 15.187 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.780 23.128 12.558 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.327 23.522 13.454 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.118 24.867 11.149 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.058 25.564 12.357 1.00 0.00 H new ATOM 0 HD2 PRO A 38 33.922 26.190 11.813 1.00 0.00 H new ATOM 0 HD3 PRO A 38 32.727 27.166 12.645 1.00 0.00 H new ATOM 610 N ASP A 39 35.297 23.250 14.276 1.00 0.00 N ATOM 611 CA ASP A 39 36.371 22.389 14.741 1.00 0.00 C ATOM 612 C ASP A 39 36.605 22.435 16.252 1.00 0.00 C ATOM 613 O ASP A 39 36.694 21.393 16.893 1.00 0.00 O ATOM 614 CB ASP A 39 37.668 22.690 13.982 1.00 0.00 C ATOM 615 CG ASP A 39 38.961 21.917 14.198 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.939 20.730 14.584 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.070 22.466 14.000 1.00 0.00 O ATOM 0 H ASP A 39 35.562 23.786 13.449 1.00 0.00 H new ATOM 0 HA ASP A 39 36.048 21.370 14.526 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.431 22.604 12.922 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.900 23.738 14.173 1.00 0.00 H new ATOM 622 N GLN A 40 36.706 23.638 16.814 1.00 0.00 N ATOM 623 CA GLN A 40 37.129 23.949 18.175 1.00 0.00 C ATOM 624 C GLN A 40 36.030 24.233 19.193 1.00 0.00 C ATOM 625 O GLN A 40 36.324 24.456 20.359 1.00 0.00 O ATOM 626 CB GLN A 40 38.066 25.153 18.107 1.00 0.00 C ATOM 627 CG GLN A 40 39.334 25.059 17.242 1.00 0.00 C ATOM 628 CD GLN A 40 40.084 26.373 17.375 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.064 27.222 18.269 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.813 26.696 16.311 1.00 0.00 N ATOM 0 H GLN A 40 36.477 24.482 16.290 1.00 0.00 H new ATOM 0 HA GLN A 40 37.603 23.040 18.545 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.485 26.003 17.749 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.378 25.386 19.125 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.959 24.228 17.569 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.073 24.872 16.200 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.883 26.049 15.525 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.302 27.591 16.280 1.00 0.00 H new ATOM 639 N GLN A 41 34.789 24.236 18.712 1.00 0.00 N ATOM 640 CA GLN A 41 33.673 24.315 19.640 1.00 0.00 C ATOM 641 C GLN A 41 33.413 22.921 20.228 1.00 0.00 C ATOM 642 O GLN A 41 33.148 21.921 19.577 1.00 0.00 O ATOM 643 CB GLN A 41 32.399 24.638 18.850 1.00 0.00 C ATOM 644 CG GLN A 41 32.559 25.993 18.181 1.00 0.00 C ATOM 645 CD GLN A 41 31.400 26.467 17.320 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.226 26.266 17.637 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.610 27.160 16.205 1.00 0.00 N ATOM 0 H GLN A 41 34.539 24.187 17.724 1.00 0.00 H new ATOM 0 HA GLN A 41 33.903 25.059 20.403 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.216 23.868 18.101 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.536 24.647 19.516 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.734 26.738 18.957 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.455 25.963 17.560 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.563 27.355 15.897 1.00 0.00 H new ATOM 0 HE22 GLN A 41 30.818 27.497 15.657 1.00 0.00 H new ATOM 656 N ARG A 42 33.370 22.866 21.561 1.00 0.00 N ATOM 657 CA ARG A 42 32.856 21.745 22.319 1.00 0.00 C ATOM 658 C ARG A 42 31.589 22.252 23.005 1.00 0.00 C ATOM 659 O ARG A 42 31.700 23.191 23.791 1.00 0.00 O ATOM 660 CB ARG A 42 33.919 21.267 23.310 1.00 0.00 C ATOM 661 CG ARG A 42 35.283 20.953 22.698 1.00 0.00 C ATOM 662 CD ARG A 42 36.168 20.364 23.802 1.00 0.00 C ATOM 663 NE ARG A 42 36.808 21.398 24.610 1.00 0.00 N ATOM 664 CZ ARG A 42 36.971 21.365 25.941 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.460 20.486 26.803 1.00 0.00 N ATOM 666 NH2 ARG A 42 37.959 22.043 26.550 1.00 0.00 N ATOM 0 H ARG A 42 33.704 23.628 22.151 1.00 0.00 H new ATOM 0 HA ARG A 42 32.617 20.883 21.696 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.049 22.032 24.076 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.549 20.373 23.812 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.179 20.246 21.875 1.00 0.00 H new ATOM 0 HG3 ARG A 42 35.735 21.856 22.288 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.564 19.725 24.446 1.00 0.00 H new ATOM 0 HD3 ARG A 42 36.934 19.732 23.352 1.00 0.00 H new ATOM 0 HE ARG A 42 37.163 22.218 24.119 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.867 19.727 26.466 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.662 20.572 27.799 1.00 0.00 H new ATOM 0 HH21 ARG A 42 38.610 22.602 25.998 1.00 0.00 H new ATOM 0 HH22 ARG A 42 38.058 21.999 27.564 1.00 0.00 H new ATOM 680 N LEU A 43 30.459 21.565 22.849 1.00 0.00 N ATOM 681 CA LEU A 43 29.072 21.932 23.084 1.00 0.00 C ATOM 682 C LEU A 43 28.602 21.183 24.322 1.00 0.00 C ATOM 683 O LEU A 43 28.453 19.964 24.345 1.00 0.00 O ATOM 684 CB LEU A 43 28.302 21.467 21.848 1.00 0.00 C ATOM 685 CG LEU A 43 28.364 22.055 20.440 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.806 22.087 19.925 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.432 21.347 19.456 1.00 0.00 C ATOM 0 H LEU A 43 30.509 20.605 22.507 1.00 0.00 H new ATOM 0 HA LEU A 43 28.928 23.001 23.243 1.00 0.00 H new ATOM 0 HB2 LEU A 43 28.557 20.414 21.731 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.250 21.511 22.131 1.00 0.00 H new ATOM 0 HG LEU A 43 28.003 23.081 20.512 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.824 22.510 18.921 1.00 0.00 H new ATOM 0 HD12 LEU A 43 30.416 22.701 20.588 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.206 21.073 19.899 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.521 21.810 18.473 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.707 20.294 19.388 1.00 0.00 H new ATOM 0 HD23 LEU A 43 26.403 21.431 19.805 1.00 0.00 H new ATOM 699 N ILE A 44 28.087 21.879 25.340 1.00 0.00 N ATOM 700 CA ILE A 44 27.562 21.399 26.597 1.00 0.00 C ATOM 701 C ILE A 44 26.138 21.915 26.783 1.00 0.00 C ATOM 702 O ILE A 44 25.916 23.122 26.718 1.00 0.00 O ATOM 703 CB ILE A 44 28.601 21.697 27.691 1.00 0.00 C ATOM 704 CG1 ILE A 44 30.070 21.409 27.393 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.078 21.164 29.026 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.479 19.931 27.299 1.00 0.00 C ATOM 0 H ILE A 44 28.027 22.896 25.286 1.00 0.00 H new ATOM 0 HA ILE A 44 27.430 20.318 26.643 1.00 0.00 H new ATOM 0 HB ILE A 44 28.683 22.783 27.741 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.327 21.894 26.451 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.673 21.880 28.169 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.807 21.369 29.810 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.135 21.654 29.269 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.919 20.088 28.951 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.545 19.862 27.084 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.267 19.434 28.245 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.916 19.448 26.501 1.00 0.00 H new ATOM 718 N PHE A 45 25.134 21.101 27.087 1.00 0.00 N ATOM 719 CA PHE A 45 23.843 21.510 27.603 1.00 0.00 C ATOM 720 C PHE A 45 23.229 20.371 28.417 1.00 0.00 C ATOM 721 O PHE A 45 23.313 19.252 27.922 1.00 0.00 O ATOM 722 CB PHE A 45 22.901 21.862 26.455 1.00 0.00 C ATOM 723 CG PHE A 45 21.443 22.050 26.797 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.064 22.904 27.848 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.507 21.306 26.073 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.730 22.852 28.270 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.192 21.235 26.541 1.00 0.00 C ATOM 728 CZ PHE A 45 18.806 22.026 27.627 1.00 0.00 C ATOM 0 H PHE A 45 25.207 20.090 26.973 1.00 0.00 H new ATOM 0 HA PHE A 45 23.984 22.386 28.236 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.261 22.780 25.991 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.974 21.075 25.704 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.774 23.573 28.311 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.795 20.794 25.167 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.411 23.459 29.104 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.480 20.575 26.068 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.783 21.998 27.972 1.00 0.00 H new ATOM 738 N ALA A 46 22.627 20.609 29.583 1.00 0.00 N ATOM 739 CA ALA A 46 21.908 19.603 30.345 1.00 0.00 C ATOM 740 C ALA A 46 22.769 18.480 30.907 1.00 0.00 C ATOM 741 O ALA A 46 22.421 17.301 30.965 1.00 0.00 O ATOM 742 CB ALA A 46 20.583 19.104 29.772 1.00 0.00 C ATOM 0 H ALA A 46 22.629 21.527 30.028 1.00 0.00 H new ATOM 0 HA ALA A 46 21.597 20.202 31.201 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.155 18.358 30.441 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.892 19.941 29.672 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.755 18.657 28.793 1.00 0.00 H new ATOM 748 N GLY A 47 23.999 18.890 31.217 1.00 0.00 N ATOM 749 CA GLY A 47 24.977 17.911 31.644 1.00 0.00 C ATOM 750 C GLY A 47 25.660 17.106 30.531 1.00 0.00 C ATOM 751 O GLY A 47 26.647 16.389 30.698 1.00 0.00 O ATOM 0 H GLY A 47 24.326 19.855 31.181 1.00 0.00 H new ATOM 0 HA2 GLY A 47 25.748 18.425 32.218 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.488 17.212 32.322 1.00 0.00 H new ATOM 755 N LYS A 48 25.100 17.213 29.329 1.00 0.00 N ATOM 756 CA LYS A 48 25.407 16.361 28.199 1.00 0.00 C ATOM 757 C LYS A 48 26.358 17.098 27.259 1.00 0.00 C ATOM 758 O LYS A 48 26.062 18.246 26.938 1.00 0.00 O ATOM 759 CB LYS A 48 24.016 16.109 27.630 1.00 0.00 C ATOM 760 CG LYS A 48 23.770 14.833 26.816 1.00 0.00 C ATOM 761 CD LYS A 48 22.366 14.245 26.951 1.00 0.00 C ATOM 762 CE LYS A 48 21.192 15.178 26.685 1.00 0.00 C ATOM 763 NZ LYS A 48 20.013 14.542 27.301 1.00 0.00 N ATOM 0 H LYS A 48 24.398 17.921 29.115 1.00 0.00 H new ATOM 0 HA LYS A 48 25.925 15.426 28.414 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.314 16.109 28.464 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.760 16.959 26.997 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.958 15.048 25.764 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.495 14.079 27.122 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.287 13.399 26.268 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.261 13.850 27.961 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.372 16.163 27.116 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.043 15.320 25.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.176 15.141 27.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.855 13.610 26.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.175 14.426 28.322 1.00 0.00 H new ATOM 777 N GLN A 49 27.389 16.430 26.746 1.00 0.00 N ATOM 778 CA GLN A 49 28.281 16.930 25.716 1.00 0.00 C ATOM 779 C GLN A 49 27.682 16.441 24.396 1.00 0.00 C ATOM 780 O GLN A 49 27.579 15.233 24.205 1.00 0.00 O ATOM 781 CB GLN A 49 29.734 16.520 25.956 1.00 0.00 C ATOM 782 CG GLN A 49 30.825 17.140 25.084 1.00 0.00 C ATOM 783 CD GLN A 49 31.397 16.148 24.080 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.819 15.048 24.443 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.467 16.468 22.794 1.00 0.00 N ATOM 0 H GLN A 49 27.631 15.488 27.053 1.00 0.00 H new ATOM 0 HA GLN A 49 28.346 18.018 25.712 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.974 16.745 26.995 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.795 15.438 25.842 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.416 17.998 24.551 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.628 17.513 25.721 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.123 17.373 22.474 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.865 15.808 22.125 1.00 0.00 H new ATOM 794 N LEU A 50 27.277 17.408 23.577 1.00 0.00 N ATOM 795 CA LEU A 50 26.385 17.245 22.440 1.00 0.00 C ATOM 796 C LEU A 50 27.270 16.725 21.306 1.00 0.00 C ATOM 797 O LEU A 50 28.405 17.149 21.121 1.00 0.00 O ATOM 798 CB LEU A 50 25.707 18.548 22.029 1.00 0.00 C ATOM 799 CG LEU A 50 25.154 19.469 23.112 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.179 20.459 22.468 1.00 0.00 C ATOM 801 CD2 LEU A 50 24.343 18.749 24.189 1.00 0.00 C ATOM 0 H LEU A 50 27.579 18.375 23.697 1.00 0.00 H new ATOM 0 HA LEU A 50 25.572 16.563 22.689 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.426 19.122 21.444 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.884 18.294 21.362 1.00 0.00 H new ATOM 0 HG LEU A 50 26.026 19.933 23.573 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.777 21.123 23.233 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.703 21.048 21.715 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.363 19.911 21.997 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.986 19.474 24.921 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.491 18.248 23.729 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.973 18.011 24.686 1.00 0.00 H new ATOM 813 N GLU A 51 26.665 15.837 20.528 1.00 0.00 N ATOM 814 CA GLU A 51 27.224 15.020 19.472 1.00 0.00 C ATOM 815 C GLU A 51 26.684 15.493 18.128 1.00 0.00 C ATOM 816 O GLU A 51 25.635 16.130 17.964 1.00 0.00 O ATOM 817 CB GLU A 51 26.730 13.575 19.560 1.00 0.00 C ATOM 818 CG GLU A 51 27.455 12.694 20.577 1.00 0.00 C ATOM 819 CD GLU A 51 26.717 11.362 20.590 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.510 11.356 20.930 1.00 0.00 O ATOM 821 OE2 GLU A 51 27.349 10.298 20.430 1.00 0.00 O ATOM 0 H GLU A 51 25.667 15.657 20.637 1.00 0.00 H new ATOM 0 HA GLU A 51 28.307 15.091 19.569 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.668 13.586 19.806 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.824 13.116 18.576 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.500 12.557 20.298 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.446 13.153 21.566 1.00 0.00 H new ATOM 828 N ASP A 52 27.480 15.317 17.074 1.00 0.00 N ATOM 829 CA ASP A 52 27.180 15.794 15.745 1.00 0.00 C ATOM 830 C ASP A 52 26.142 14.910 15.058 1.00 0.00 C ATOM 831 O ASP A 52 26.072 13.718 15.364 1.00 0.00 O ATOM 832 CB ASP A 52 28.460 15.783 14.906 1.00 0.00 C ATOM 833 CG ASP A 52 29.327 17.032 14.967 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.883 18.161 14.676 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.519 16.811 15.275 1.00 0.00 O ATOM 0 H ASP A 52 28.372 14.825 17.133 1.00 0.00 H new ATOM 0 HA ASP A 52 26.779 16.804 15.830 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.065 14.933 15.220 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.184 15.611 13.866 1.00 0.00 H new ATOM 840 N GLY A 53 25.413 15.464 14.094 1.00 0.00 N ATOM 841 CA GLY A 53 24.629 14.775 13.080 1.00 0.00 C ATOM 842 C GLY A 53 23.121 14.771 13.328 1.00 0.00 C ATOM 843 O GLY A 53 22.354 14.403 12.435 1.00 0.00 O ATOM 0 H GLY A 53 25.352 16.477 13.996 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.823 15.240 12.113 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.975 13.743 13.013 1.00 0.00 H new ATOM 847 N ARG A 54 22.788 15.299 14.503 1.00 0.00 N ATOM 848 CA ARG A 54 21.550 15.661 15.156 1.00 0.00 C ATOM 849 C ARG A 54 21.160 17.137 14.976 1.00 0.00 C ATOM 850 O ARG A 54 21.989 18.020 14.758 1.00 0.00 O ATOM 851 CB ARG A 54 21.623 15.166 16.602 1.00 0.00 C ATOM 852 CG ARG A 54 21.489 13.678 16.885 1.00 0.00 C ATOM 853 CD ARG A 54 21.285 13.532 18.385 1.00 0.00 C ATOM 854 NE ARG A 54 21.397 12.106 18.730 1.00 0.00 N ATOM 855 CZ ARG A 54 22.340 11.483 19.450 1.00 0.00 C ATOM 856 NH1 ARG A 54 23.325 12.195 20.012 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.305 10.153 19.565 1.00 0.00 N ATOM 0 H ARG A 54 23.553 15.523 15.139 1.00 0.00 H new ATOM 0 HA ARG A 54 20.711 15.163 14.671 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.578 15.493 17.013 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.842 15.678 17.164 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.647 13.255 16.337 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.381 13.141 16.562 1.00 0.00 H new ATOM 0 HD2 ARG A 54 22.030 14.114 18.928 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.307 13.917 18.674 1.00 0.00 H new ATOM 0 HE ARG A 54 20.653 11.508 18.371 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.355 13.207 19.891 1.00 0.00 H new ATOM 0 HH12 ARG A 54 24.045 11.725 20.561 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.565 9.621 19.107 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.018 9.669 20.111 1.00 0.00 H new ATOM 871 N THR A 55 19.875 17.419 15.198 1.00 0.00 N ATOM 872 CA THR A 55 19.292 18.737 15.180 1.00 0.00 C ATOM 873 C THR A 55 19.079 19.117 16.654 1.00 0.00 C ATOM 874 O THR A 55 19.297 18.302 17.545 1.00 0.00 O ATOM 875 CB THR A 55 17.922 18.789 14.505 1.00 0.00 C ATOM 876 OG1 THR A 55 17.004 17.884 15.074 1.00 0.00 O ATOM 877 CG2 THR A 55 18.056 18.383 13.039 1.00 0.00 C ATOM 0 H THR A 55 19.191 16.691 15.404 1.00 0.00 H new ATOM 0 HA THR A 55 19.954 19.401 14.624 1.00 0.00 H new ATOM 0 HB THR A 55 17.561 19.810 14.629 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.400 16.988 15.098 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.078 18.421 12.560 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.735 19.069 12.532 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.451 17.369 12.977 1.00 0.00 H new ATOM 885 N LEU A 56 18.723 20.378 16.885 1.00 0.00 N ATOM 886 CA LEU A 56 18.500 20.952 18.200 1.00 0.00 C ATOM 887 C LEU A 56 17.182 20.391 18.754 1.00 0.00 C ATOM 888 O LEU A 56 16.937 20.281 19.947 1.00 0.00 O ATOM 889 CB LEU A 56 18.366 22.478 18.100 1.00 0.00 C ATOM 890 CG LEU A 56 19.620 23.259 17.705 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.350 24.740 17.908 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.861 22.808 18.481 1.00 0.00 C ATOM 0 H LEU A 56 18.578 21.049 16.131 1.00 0.00 H new ATOM 0 HA LEU A 56 19.341 20.704 18.848 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.584 22.703 17.375 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.023 22.852 19.065 1.00 0.00 H new ATOM 0 HG LEU A 56 19.839 23.061 16.656 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.235 25.313 17.631 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.510 25.046 17.284 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.111 24.926 18.955 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.723 23.394 18.162 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.696 22.956 19.548 1.00 0.00 H new ATOM 0 HD23 LEU A 56 21.048 21.752 18.286 1.00 0.00 H new ATOM 904 N SER A 57 16.351 19.852 17.866 1.00 0.00 N ATOM 905 CA SER A 57 15.123 19.215 18.289 1.00 0.00 C ATOM 906 C SER A 57 15.364 17.801 18.836 1.00 0.00 C ATOM 907 O SER A 57 14.664 17.368 19.751 1.00 0.00 O ATOM 908 CB SER A 57 14.188 19.092 17.088 1.00 0.00 C ATOM 909 OG SER A 57 12.833 18.931 17.457 1.00 0.00 O ATOM 0 H SER A 57 16.510 19.847 16.858 1.00 0.00 H new ATOM 0 HA SER A 57 14.692 19.829 19.080 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.286 19.981 16.466 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.497 18.242 16.480 1.00 0.00 H new ATOM 0 HG SER A 57 12.281 18.859 16.651 1.00 0.00 H new ATOM 915 N ASP A 58 16.465 17.169 18.464 1.00 0.00 N ATOM 916 CA ASP A 58 16.810 15.828 18.901 1.00 0.00 C ATOM 917 C ASP A 58 17.490 15.994 20.264 1.00 0.00 C ATOM 918 O ASP A 58 17.930 15.016 20.852 1.00 0.00 O ATOM 919 CB ASP A 58 17.843 15.189 17.973 1.00 0.00 C ATOM 920 CG ASP A 58 17.364 14.919 16.557 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.284 14.298 16.423 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.114 15.274 15.621 1.00 0.00 O ATOM 0 H ASP A 58 17.156 17.582 17.838 1.00 0.00 H new ATOM 0 HA ASP A 58 15.915 15.205 18.920 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.716 15.839 17.926 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.170 14.247 18.414 1.00 0.00 H new ATOM 927 N TYR A 59 17.591 17.178 20.857 1.00 0.00 N ATOM 928 CA TYR A 59 18.143 17.408 22.178 1.00 0.00 C ATOM 929 C TYR A 59 17.044 18.004 23.069 1.00 0.00 C ATOM 930 O TYR A 59 17.404 18.394 24.176 1.00 0.00 O ATOM 931 CB TYR A 59 19.410 18.231 21.984 1.00 0.00 C ATOM 932 CG TYR A 59 20.613 17.366 21.738 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.155 16.495 22.695 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.262 17.397 20.499 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.274 15.669 22.497 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.346 16.546 20.244 1.00 0.00 C ATOM 937 CZ TYR A 59 22.818 15.654 21.211 1.00 0.00 C ATOM 938 OH TYR A 59 23.821 14.765 20.937 1.00 0.00 O ATOM 0 H TYR A 59 17.276 18.038 20.407 1.00 0.00 H new ATOM 0 HA TYR A 59 18.452 16.510 22.712 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.275 18.911 21.143 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.581 18.846 22.867 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.674 16.456 23.661 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.926 18.081 19.734 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.692 15.077 23.298 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.828 16.580 19.278 1.00 0.00 H new ATOM 0 HH TYR A 59 23.859 14.087 21.643 1.00 0.00 H new ATOM 948 N ASN A 60 15.911 18.325 22.447 1.00 0.00 N ATOM 949 CA ASN A 60 14.702 19.021 22.838 1.00 0.00 C ATOM 950 C ASN A 60 14.930 20.454 23.301 1.00 0.00 C ATOM 951 O ASN A 60 14.192 20.981 24.141 1.00 0.00 O ATOM 952 CB ASN A 60 13.801 18.133 23.698 1.00 0.00 C ATOM 953 CG ASN A 60 14.194 17.870 25.148 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.205 18.834 25.914 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.521 16.650 25.541 1.00 0.00 N ATOM 0 H ASN A 60 15.816 18.042 21.472 1.00 0.00 H new ATOM 0 HA ASN A 60 14.108 19.201 21.942 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.806 18.578 23.702 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.716 17.168 23.199 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.795 16.482 26.509 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.499 15.877 24.876 1.00 0.00 H new ATOM 962 N ILE A 61 15.854 21.171 22.664 1.00 0.00 N ATOM 963 CA ILE A 61 16.061 22.579 22.941 1.00 0.00 C ATOM 964 C ILE A 61 14.894 23.444 22.457 1.00 0.00 C ATOM 965 O ILE A 61 14.264 23.192 21.436 1.00 0.00 O ATOM 966 CB ILE A 61 17.409 22.945 22.318 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.558 22.351 23.145 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.673 24.438 22.129 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.737 21.830 22.326 1.00 0.00 C ATOM 0 H ILE A 61 16.473 20.790 21.948 1.00 0.00 H new ATOM 0 HA ILE A 61 16.089 22.775 24.013 1.00 0.00 H new ATOM 0 HB ILE A 61 17.360 22.518 21.316 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.922 23.113 23.834 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.166 21.534 23.751 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.656 24.580 21.680 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.911 24.862 21.475 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.640 24.939 23.097 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.498 21.430 22.997 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.394 21.042 21.655 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.162 22.645 21.741 1.00 0.00 H new ATOM 981 N GLN A 62 14.480 24.415 23.271 1.00 0.00 N ATOM 982 CA GLN A 62 13.438 25.397 23.070 1.00 0.00 C ATOM 983 C GLN A 62 13.999 26.799 23.334 1.00 0.00 C ATOM 984 O GLN A 62 15.144 26.903 23.753 1.00 0.00 O ATOM 985 CB GLN A 62 12.231 24.990 23.921 1.00 0.00 C ATOM 986 CG GLN A 62 11.112 24.188 23.254 1.00 0.00 C ATOM 987 CD GLN A 62 11.275 22.679 23.401 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.920 22.099 24.415 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.622 21.975 22.324 1.00 0.00 N ATOM 0 H GLN A 62 14.920 24.537 24.183 1.00 0.00 H new ATOM 0 HA GLN A 62 13.083 25.433 22.040 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.600 24.407 24.765 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.790 25.899 24.330 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.156 24.486 23.684 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.077 24.440 22.194 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.919 22.455 21.475 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.590 20.956 22.349 1.00 0.00 H new ATOM 998 N LYS A 63 13.209 27.812 22.984 1.00 0.00 N ATOM 999 CA LYS A 63 13.274 29.260 23.032 1.00 0.00 C ATOM 1000 C LYS A 63 13.862 29.660 24.384 1.00 0.00 C ATOM 1001 O LYS A 63 13.452 29.174 25.432 1.00 0.00 O ATOM 1002 CB LYS A 63 11.921 29.899 22.729 1.00 0.00 C ATOM 1003 CG LYS A 63 10.840 29.686 23.787 1.00 0.00 C ATOM 1004 CD LYS A 63 9.508 30.346 23.448 1.00 0.00 C ATOM 1005 CE LYS A 63 8.293 30.109 24.351 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.746 28.744 24.301 1.00 0.00 N ATOM 0 H LYS A 63 12.312 27.562 22.569 1.00 0.00 H new ATOM 0 HA LYS A 63 13.929 29.641 22.248 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.067 30.971 22.595 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.558 29.506 21.780 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.681 28.616 23.920 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.196 30.076 24.740 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.679 31.422 23.407 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.233 30.028 22.442 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.572 30.336 25.380 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.507 30.811 24.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.929 28.674 24.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.445 28.526 23.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.477 28.066 24.597 1.00 0.00 H new ATOM 1020 N GLU A 64 14.840 30.558 24.318 1.00 0.00 N ATOM 1021 CA GLU A 64 15.411 31.186 25.494 1.00 0.00 C ATOM 1022 C GLU A 64 16.254 30.316 26.430 1.00 0.00 C ATOM 1023 O GLU A 64 16.626 30.786 27.508 1.00 0.00 O ATOM 1024 CB GLU A 64 14.469 32.082 26.301 1.00 0.00 C ATOM 1025 CG GLU A 64 15.037 33.486 26.520 1.00 0.00 C ATOM 1026 CD GLU A 64 14.012 34.495 27.009 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.045 34.670 26.239 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.344 35.236 27.965 1.00 0.00 O ATOM 0 H GLU A 64 15.257 30.869 23.441 1.00 0.00 H new ATOM 0 HA GLU A 64 16.125 31.833 24.984 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.513 32.158 25.783 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.272 31.619 27.268 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.851 33.429 27.243 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.467 33.844 25.584 1.00 0.00 H new ATOM 1035 N SER A 65 16.652 29.120 26.028 1.00 0.00 N ATOM 1036 CA SER A 65 17.655 28.265 26.637 1.00 0.00 C ATOM 1037 C SER A 65 19.011 28.964 26.521 1.00 0.00 C ATOM 1038 O SER A 65 19.221 29.772 25.628 1.00 0.00 O ATOM 1039 CB SER A 65 17.615 26.935 25.897 1.00 0.00 C ATOM 1040 OG SER A 65 16.400 26.259 26.137 1.00 0.00 O ATOM 0 H SER A 65 16.247 28.687 25.198 1.00 0.00 H new ATOM 0 HA SER A 65 17.473 28.079 27.695 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.735 27.106 24.827 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.451 26.312 26.216 1.00 0.00 H new ATOM 0 HG SER A 65 15.796 26.393 25.377 1.00 0.00 H new ATOM 1046 N THR A 66 19.971 28.797 27.431 1.00 0.00 N ATOM 1047 CA THR A 66 21.374 29.143 27.360 1.00 0.00 C ATOM 1048 C THR A 66 22.034 27.796 27.066 1.00 0.00 C ATOM 1049 O THR A 66 21.920 26.887 27.894 1.00 0.00 O ATOM 1050 CB THR A 66 21.901 29.641 28.710 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.335 30.901 28.990 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.418 29.832 28.804 1.00 0.00 C ATOM 0 H THR A 66 19.751 28.369 28.330 1.00 0.00 H new ATOM 0 HA THR A 66 21.566 29.930 26.630 1.00 0.00 H new ATOM 0 HB THR A 66 21.624 28.856 29.413 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.667 31.224 29.854 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.679 30.186 29.801 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.917 28.882 28.615 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.739 30.564 28.063 1.00 0.00 H new ATOM 1060 N LEU A 67 22.755 27.649 25.966 1.00 0.00 N ATOM 1061 CA LEU A 67 23.695 26.565 25.785 1.00 0.00 C ATOM 1062 C LEU A 67 25.126 27.053 26.024 1.00 0.00 C ATOM 1063 O LEU A 67 25.436 28.246 26.038 1.00 0.00 O ATOM 1064 CB LEU A 67 23.641 26.312 24.278 1.00 0.00 C ATOM 1065 CG LEU A 67 22.273 26.144 23.615 1.00 0.00 C ATOM 1066 CD1 LEU A 67 22.442 25.848 22.126 1.00 0.00 C ATOM 1067 CD2 LEU A 67 21.453 24.975 24.153 1.00 0.00 C ATOM 0 H LEU A 67 22.701 28.285 25.171 1.00 0.00 H new ATOM 0 HA LEU A 67 23.463 25.725 26.440 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.149 27.140 23.784 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.222 25.413 24.072 1.00 0.00 H new ATOM 0 HG LEU A 67 21.757 27.081 23.823 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.461 25.730 21.665 1.00 0.00 H new ATOM 0 HD12 LEU A 67 22.971 26.673 21.649 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.015 24.929 22.000 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.499 24.928 23.629 1.00 0.00 H new ATOM 0 HD22 LEU A 67 21.999 24.045 23.996 1.00 0.00 H new ATOM 0 HD23 LEU A 67 21.275 25.116 25.219 1.00 0.00 H new ATOM 1079 N HIS A 68 26.044 26.138 26.329 1.00 0.00 N ATOM 1080 CA HIS A 68 27.377 26.478 26.777 1.00 0.00 C ATOM 1081 C HIS A 68 28.390 25.952 25.763 1.00 0.00 C ATOM 1082 O HIS A 68 28.238 24.838 25.272 1.00 0.00 O ATOM 1083 CB HIS A 68 27.624 26.187 28.261 1.00 0.00 C ATOM 1084 CG HIS A 68 26.796 26.935 29.275 1.00 0.00 C ATOM 1085 ND1 HIS A 68 25.557 26.554 29.791 1.00 0.00 N ATOM 1086 CD2 HIS A 68 27.131 28.142 29.829 1.00 0.00 C ATOM 1087 CE1 HIS A 68 25.348 27.402 30.796 1.00 0.00 C ATOM 1088 NE2 HIS A 68 26.251 28.399 30.857 1.00 0.00 N ATOM 0 H HIS A 68 25.874 25.134 26.269 1.00 0.00 H new ATOM 0 HA HIS A 68 27.513 27.559 26.784 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.467 25.121 28.423 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.674 26.391 28.471 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.943 28.781 29.515 1.00 0.00 H new ATOM 0 HE1 HIS A 68 24.532 27.300 31.496 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.278 29.174 31.519 1.00 0.00 H new ATOM 1096 N LEU A 69 29.351 26.805 25.396 1.00 0.00 N ATOM 1097 CA LEU A 69 30.428 26.545 24.462 1.00 0.00 C ATOM 1098 C LEU A 69 31.735 26.592 25.258 1.00 0.00 C ATOM 1099 O LEU A 69 32.215 27.602 25.757 1.00 0.00 O ATOM 1100 CB LEU A 69 30.308 27.612 23.364 1.00 0.00 C ATOM 1101 CG LEU A 69 31.023 27.412 22.037 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.399 28.330 20.980 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.538 27.664 22.095 1.00 0.00 C ATOM 0 H LEU A 69 29.392 27.752 25.772 1.00 0.00 H new ATOM 0 HA LEU A 69 30.393 25.569 23.977 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.247 27.737 23.147 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.661 28.554 23.785 1.00 0.00 H new ATOM 0 HG LEU A 69 30.896 26.361 21.778 1.00 0.00 H new ATOM 0 HD11 LEU A 69 30.910 28.188 20.028 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.343 28.087 20.865 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.500 29.369 21.295 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.972 27.500 21.109 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.724 28.692 22.407 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.994 26.979 22.810 1.00 0.00 H new ATOM 1115 N VAL A 70 32.408 25.440 25.202 1.00 0.00 N ATOM 1116 CA VAL A 70 33.753 25.230 25.698 1.00 0.00 C ATOM 1117 C VAL A 70 34.724 25.290 24.512 1.00 0.00 C ATOM 1118 O VAL A 70 34.440 24.621 23.520 1.00 0.00 O ATOM 1119 CB VAL A 70 33.749 23.890 26.421 1.00 0.00 C ATOM 1120 CG1 VAL A 70 35.122 23.472 26.943 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.767 23.747 27.581 1.00 0.00 C ATOM 0 H VAL A 70 32.005 24.598 24.791 1.00 0.00 H new ATOM 0 HA VAL A 70 34.080 25.995 26.402 1.00 0.00 H new ATOM 0 HB VAL A 70 33.418 23.233 25.617 1.00 0.00 H new ATOM 0 HG11 VAL A 70 35.042 22.508 27.446 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.819 23.389 26.109 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.487 24.220 27.647 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.858 22.751 28.014 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.991 24.495 28.341 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.750 23.892 27.217 1.00 0.00 H new ATOM 1131 N LEU A 71 35.878 25.944 24.588 1.00 0.00 N ATOM 1132 CA LEU A 71 36.772 26.054 23.448 1.00 0.00 C ATOM 1133 C LEU A 71 37.722 24.887 23.707 1.00 0.00 C ATOM 1134 O LEU A 71 37.965 24.361 24.792 1.00 0.00 O ATOM 1135 CB LEU A 71 37.516 27.395 23.568 1.00 0.00 C ATOM 1136 CG LEU A 71 38.443 27.689 22.397 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.799 27.863 21.019 1.00 0.00 C ATOM 1138 CD2 LEU A 71 39.382 28.862 22.667 1.00 0.00 C ATOM 0 H LEU A 71 36.215 26.407 25.432 1.00 0.00 H new ATOM 0 HA LEU A 71 36.304 26.024 22.464 1.00 0.00 H new ATOM 0 HB2 LEU A 71 36.785 28.199 23.652 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.098 27.396 24.490 1.00 0.00 H new ATOM 0 HG LEU A 71 39.004 26.757 22.335 1.00 0.00 H new ATOM 0 HD11 LEU A 71 38.573 28.067 20.279 1.00 0.00 H new ATOM 0 HD12 LEU A 71 37.269 26.950 20.747 1.00 0.00 H new ATOM 0 HD13 LEU A 71 37.096 28.696 21.048 1.00 0.00 H new ATOM 0 HD21 LEU A 71 40.019 29.025 21.798 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.796 29.760 22.861 1.00 0.00 H new ATOM 0 HD23 LEU A 71 40.002 28.639 23.535 1.00 0.00 H new