USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -74:sc= 1.24 USER MOD Set 1.2: A 57 SER OG : rot -31:sc= 0.00341 USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0491) USER MOD Single : A 1 MET N :NH3+ -161:sc= 2.45 (180deg=1.49) USER MOD Single : A 2 GLN : amide:sc= 1.09 K(o=1.1,f=-0.015) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.356 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -83:sc= 0.00151 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.2 USER MOD Single : A 25 ASN : amide:sc= 1 K(o=1,f=-0.54) USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0.582 (180deg=-0.369!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.716 K(o=-0.72,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= 1.2 (180deg=1.03) USER MOD Single : A 40 GLN : amide:sc= -0.0486 X(o=-0.049,f=-0.36) USER MOD Single : A 41 GLN : amide:sc= 1.16 K(o=1.2,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.19) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.533 USER MOD Single : A 60 ASN : amide:sc= -0.0234 K(o=-0.023,f=-1.4) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.22) USER MOD Single : A 65 SER OG : rot 66:sc= 1.27 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 33.025 51.606 19.873 1.00 0.00 N ATOM 2 CA MET A 1 33.306 51.453 21.309 1.00 0.00 C ATOM 3 C MET A 1 34.707 51.980 21.627 1.00 0.00 C ATOM 4 O MET A 1 35.676 51.510 21.034 1.00 0.00 O ATOM 5 CB MET A 1 33.148 50.001 21.750 1.00 0.00 C ATOM 6 CG MET A 1 33.394 49.812 23.244 1.00 0.00 C ATOM 7 SD MET A 1 33.127 48.134 23.868 1.00 0.00 S ATOM 8 CE MET A 1 34.456 47.224 23.041 1.00 0.00 C ATOM 0 H1 MET A 1 31.999 51.557 19.713 1.00 0.00 H new ATOM 0 H2 MET A 1 33.383 52.526 19.545 1.00 0.00 H new ATOM 0 H3 MET A 1 33.494 50.843 19.344 1.00 0.00 H new ATOM 0 HA MET A 1 32.580 52.042 21.869 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.143 49.658 21.505 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.844 49.377 21.189 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.420 50.105 23.466 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.742 50.493 23.791 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.481 46.200 23.412 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.277 47.216 21.966 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.411 47.708 23.246 1.00 0.00 H new ATOM 20 N GLN A 2 34.829 52.907 22.572 1.00 0.00 N ATOM 21 CA GLN A 2 36.106 53.407 23.042 1.00 0.00 C ATOM 22 C GLN A 2 36.757 52.428 24.021 1.00 0.00 C ATOM 23 O GLN A 2 36.117 52.011 24.983 1.00 0.00 O ATOM 24 CB GLN A 2 35.930 54.784 23.677 1.00 0.00 C ATOM 25 CG GLN A 2 37.221 55.357 24.251 1.00 0.00 C ATOM 26 CD GLN A 2 37.080 56.771 24.818 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.766 57.707 24.412 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.199 56.988 25.790 1.00 0.00 N ATOM 0 H GLN A 2 34.028 53.335 23.037 1.00 0.00 H new ATOM 0 HA GLN A 2 36.774 53.504 22.186 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.537 55.473 22.929 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.187 54.717 24.471 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.580 54.695 25.039 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.981 55.365 23.470 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.623 56.221 26.137 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.099 57.922 26.189 1.00 0.00 H new ATOM 37 N ILE A 3 38.041 52.137 23.830 1.00 0.00 N ATOM 38 CA ILE A 3 38.889 51.458 24.789 1.00 0.00 C ATOM 39 C ILE A 3 40.235 52.169 24.939 1.00 0.00 C ATOM 40 O ILE A 3 40.636 52.951 24.079 1.00 0.00 O ATOM 41 CB ILE A 3 39.069 49.979 24.455 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.785 49.753 23.127 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.737 49.236 24.510 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.172 48.303 22.851 1.00 0.00 C ATOM 0 H ILE A 3 38.532 52.379 22.969 1.00 0.00 H new ATOM 0 HA ILE A 3 38.381 51.501 25.752 1.00 0.00 H new ATOM 0 HB ILE A 3 39.720 49.562 25.224 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.143 50.104 22.319 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.686 50.366 23.107 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.896 48.185 24.268 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.316 49.318 25.512 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.046 49.674 23.789 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.675 48.238 21.886 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.842 47.950 23.635 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.275 47.684 22.835 1.00 0.00 H new ATOM 56 N PHE A 4 40.963 51.858 26.007 1.00 0.00 N ATOM 57 CA PHE A 4 42.304 52.351 26.250 1.00 0.00 C ATOM 58 C PHE A 4 43.315 51.203 26.321 1.00 0.00 C ATOM 59 O PHE A 4 43.003 50.139 26.849 1.00 0.00 O ATOM 60 CB PHE A 4 42.329 53.166 27.540 1.00 0.00 C ATOM 61 CG PHE A 4 41.367 54.329 27.584 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.569 55.434 26.748 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.296 54.326 28.486 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.701 56.529 26.808 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.430 55.424 28.549 1.00 0.00 C ATOM 66 CZ PHE A 4 39.626 56.526 27.706 1.00 0.00 C ATOM 0 H PHE A 4 40.623 51.240 26.743 1.00 0.00 H new ATOM 0 HA PHE A 4 42.591 52.991 25.416 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.109 52.501 28.375 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.340 53.545 27.692 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.397 55.441 26.055 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.138 53.476 29.133 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.860 57.379 26.161 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.608 55.422 29.250 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.952 57.369 27.748 1.00 0.00 H new ATOM 76 N VAL A 5 44.528 51.408 25.815 1.00 0.00 N ATOM 77 CA VAL A 5 45.609 50.445 25.880 1.00 0.00 C ATOM 78 C VAL A 5 46.866 51.111 26.443 1.00 0.00 C ATOM 79 O VAL A 5 47.432 52.004 25.816 1.00 0.00 O ATOM 80 CB VAL A 5 45.868 49.788 24.527 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.893 48.664 24.659 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.606 49.195 23.909 1.00 0.00 C ATOM 0 H VAL A 5 44.787 52.272 25.338 1.00 0.00 H new ATOM 0 HA VAL A 5 45.315 49.642 26.556 1.00 0.00 H new ATOM 0 HB VAL A 5 46.240 50.581 23.879 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.062 48.210 23.683 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.831 49.070 25.038 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.518 47.909 25.350 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.850 48.741 22.948 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.197 48.436 24.575 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.868 49.984 23.761 1.00 0.00 H new ATOM 92 N LYS A 6 47.288 50.689 27.632 1.00 0.00 N ATOM 93 CA LYS A 6 48.394 51.255 28.379 1.00 0.00 C ATOM 94 C LYS A 6 49.692 50.479 28.146 1.00 0.00 C ATOM 95 O LYS A 6 49.712 49.258 28.288 1.00 0.00 O ATOM 96 CB LYS A 6 47.984 51.311 29.848 1.00 0.00 C ATOM 97 CG LYS A 6 49.021 51.972 30.752 1.00 0.00 C ATOM 98 CD LYS A 6 48.524 52.035 32.194 1.00 0.00 C ATOM 99 CE LYS A 6 49.611 52.561 33.127 1.00 0.00 C ATOM 100 NZ LYS A 6 49.090 52.785 34.485 1.00 0.00 N ATOM 0 H LYS A 6 46.845 49.909 28.117 1.00 0.00 H new ATOM 0 HA LYS A 6 48.609 52.266 28.033 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.043 51.854 29.932 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.800 50.297 30.203 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.956 51.413 30.709 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.235 52.979 30.392 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.647 52.680 32.252 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.211 51.042 32.518 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.436 51.850 33.165 1.00 0.00 H new ATOM 0 HE3 LYS A 6 50.013 53.494 32.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.853 53.142 35.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.319 53.482 34.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.729 51.889 34.871 1.00 0.00 H new ATOM 114 N THR A 7 50.785 51.165 27.823 1.00 0.00 N ATOM 115 CA THR A 7 52.109 50.581 27.736 1.00 0.00 C ATOM 116 C THR A 7 52.727 50.382 29.121 1.00 0.00 C ATOM 117 O THR A 7 52.315 51.011 30.093 1.00 0.00 O ATOM 118 CB THR A 7 53.068 51.412 26.889 1.00 0.00 C ATOM 119 OG1 THR A 7 53.386 52.634 27.518 1.00 0.00 O ATOM 120 CG2 THR A 7 52.538 51.713 25.490 1.00 0.00 C ATOM 0 H THR A 7 50.769 52.163 27.611 1.00 0.00 H new ATOM 0 HA THR A 7 51.968 49.615 27.251 1.00 0.00 H new ATOM 0 HB THR A 7 53.961 50.795 26.789 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.003 53.143 26.951 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.271 52.307 24.943 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.360 50.778 24.959 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.604 52.270 25.567 1.00 0.00 H new ATOM 128 N LEU A 8 53.752 49.541 29.235 1.00 0.00 N ATOM 129 CA LEU A 8 54.475 49.340 30.474 1.00 0.00 C ATOM 130 C LEU A 8 55.072 50.646 31.004 1.00 0.00 C ATOM 131 O LEU A 8 54.937 50.935 32.191 1.00 0.00 O ATOM 132 CB LEU A 8 55.537 48.269 30.242 1.00 0.00 C ATOM 133 CG LEU A 8 56.364 47.912 31.474 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.527 47.275 32.579 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.451 46.920 31.070 1.00 0.00 C ATOM 0 H LEU A 8 54.102 48.978 28.460 1.00 0.00 H new ATOM 0 HA LEU A 8 53.788 49.000 31.249 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.049 47.366 29.875 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.211 48.609 29.455 1.00 0.00 H new ATOM 0 HG LEU A 8 56.785 48.840 31.861 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.166 47.042 33.431 1.00 0.00 H new ATOM 0 HD12 LEU A 8 54.746 47.969 32.890 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.070 46.358 32.207 1.00 0.00 H new ATOM 0 HD21 LEU A 8 58.048 46.658 31.944 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.989 46.020 30.663 1.00 0.00 H new ATOM 0 HD23 LEU A 8 58.093 47.372 30.314 1.00 0.00 H new ATOM 147 N THR A 9 55.631 51.473 30.126 1.00 0.00 N ATOM 148 CA THR A 9 56.164 52.785 30.437 1.00 0.00 C ATOM 149 C THR A 9 55.096 53.878 30.501 1.00 0.00 C ATOM 150 O THR A 9 55.410 55.066 30.514 1.00 0.00 O ATOM 151 CB THR A 9 57.333 53.153 29.529 1.00 0.00 C ATOM 152 OG1 THR A 9 58.129 52.026 29.241 1.00 0.00 O ATOM 153 CG2 THR A 9 58.321 54.136 30.151 1.00 0.00 C ATOM 0 H THR A 9 55.726 51.233 29.139 1.00 0.00 H new ATOM 0 HA THR A 9 56.559 52.718 31.451 1.00 0.00 H new ATOM 0 HB THR A 9 56.846 53.587 28.656 1.00 0.00 H new ATOM 0 HG1 THR A 9 58.870 52.290 28.656 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.121 54.345 29.441 1.00 0.00 H new ATOM 0 HG22 THR A 9 57.804 55.063 30.399 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.744 53.702 31.057 1.00 0.00 H new ATOM 161 N GLY A 10 53.816 53.525 30.594 1.00 0.00 N ATOM 162 CA GLY A 10 52.755 54.402 31.047 1.00 0.00 C ATOM 163 C GLY A 10 52.137 55.345 30.013 1.00 0.00 C ATOM 164 O GLY A 10 51.428 56.264 30.416 1.00 0.00 O ATOM 0 H GLY A 10 53.486 52.592 30.347 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.958 53.783 31.458 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.144 55.007 31.866 1.00 0.00 H new ATOM 168 N LYS A 11 52.375 55.147 28.720 1.00 0.00 N ATOM 169 CA LYS A 11 51.698 55.840 27.642 1.00 0.00 C ATOM 170 C LYS A 11 50.336 55.182 27.405 1.00 0.00 C ATOM 171 O LYS A 11 50.269 53.955 27.363 1.00 0.00 O ATOM 172 CB LYS A 11 52.581 55.803 26.398 1.00 0.00 C ATOM 173 CG LYS A 11 52.058 56.649 25.240 1.00 0.00 C ATOM 174 CD LYS A 11 52.958 56.539 24.013 1.00 0.00 C ATOM 175 CE LYS A 11 52.431 57.440 22.901 1.00 0.00 C ATOM 176 NZ LYS A 11 53.213 57.330 21.659 1.00 0.00 N ATOM 0 H LYS A 11 53.068 54.476 28.389 1.00 0.00 H new ATOM 0 HA LYS A 11 51.523 56.885 27.896 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.580 56.148 26.664 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.678 54.770 26.065 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.049 56.329 24.982 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.992 57.692 25.551 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.977 56.825 24.272 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.994 55.505 23.669 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.392 57.184 22.694 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.443 58.475 23.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.811 57.963 20.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.200 57.600 21.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.181 56.349 21.315 1.00 0.00 H new ATOM 190 N THR A 12 49.272 55.957 27.219 1.00 0.00 N ATOM 191 CA THR A 12 47.944 55.432 26.967 1.00 0.00 C ATOM 192 C THR A 12 47.488 55.714 25.534 1.00 0.00 C ATOM 193 O THR A 12 47.265 56.856 25.138 1.00 0.00 O ATOM 194 CB THR A 12 46.922 55.933 27.983 1.00 0.00 C ATOM 195 OG1 THR A 12 47.349 55.583 29.280 1.00 0.00 O ATOM 196 CG2 THR A 12 45.555 55.280 27.797 1.00 0.00 C ATOM 0 H THR A 12 49.313 56.976 27.240 1.00 0.00 H new ATOM 0 HA THR A 12 48.008 54.351 27.087 1.00 0.00 H new ATOM 0 HB THR A 12 46.839 57.011 27.841 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.697 55.904 29.937 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.862 55.668 28.543 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.177 55.504 26.799 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.648 54.201 27.916 1.00 0.00 H new ATOM 204 N ILE A 13 47.314 54.643 24.766 1.00 0.00 N ATOM 205 CA ILE A 13 46.718 54.653 23.445 1.00 0.00 C ATOM 206 C ILE A 13 45.198 54.704 23.616 1.00 0.00 C ATOM 207 O ILE A 13 44.640 53.860 24.314 1.00 0.00 O ATOM 208 CB ILE A 13 47.134 53.428 22.638 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.629 53.127 22.684 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.690 53.597 21.188 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.017 51.767 22.110 1.00 0.00 C ATOM 0 H ILE A 13 47.598 53.710 25.064 1.00 0.00 H new ATOM 0 HA ILE A 13 47.065 55.525 22.891 1.00 0.00 H new ATOM 0 HB ILE A 13 46.639 52.575 23.103 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.161 53.904 22.135 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.966 53.180 23.719 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.988 52.721 20.612 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.606 53.705 21.150 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.159 54.486 20.765 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.097 51.636 22.183 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.517 50.979 22.673 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.715 51.714 21.064 1.00 0.00 H new ATOM 223 N THR A 14 44.516 55.642 22.963 1.00 0.00 N ATOM 224 CA THR A 14 43.074 55.618 22.834 1.00 0.00 C ATOM 225 C THR A 14 42.698 54.947 21.511 1.00 0.00 C ATOM 226 O THR A 14 43.263 55.310 20.481 1.00 0.00 O ATOM 227 CB THR A 14 42.450 57.010 22.903 1.00 0.00 C ATOM 228 OG1 THR A 14 42.869 57.723 24.044 1.00 0.00 O ATOM 229 CG2 THR A 14 40.928 56.922 22.978 1.00 0.00 C ATOM 0 H THR A 14 44.957 56.441 22.509 1.00 0.00 H new ATOM 0 HA THR A 14 42.679 55.052 23.678 1.00 0.00 H new ATOM 0 HB THR A 14 42.774 57.525 21.999 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.319 57.464 24.812 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.507 57.926 23.026 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.549 56.412 22.092 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.639 56.365 23.869 1.00 0.00 H new ATOM 237 N LEU A 15 41.763 54.002 21.519 1.00 0.00 N ATOM 238 CA LEU A 15 41.264 53.326 20.339 1.00 0.00 C ATOM 239 C LEU A 15 39.734 53.334 20.288 1.00 0.00 C ATOM 240 O LEU A 15 39.065 53.281 21.318 1.00 0.00 O ATOM 241 CB LEU A 15 41.777 51.890 20.292 1.00 0.00 C ATOM 242 CG LEU A 15 43.289 51.698 20.223 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.610 50.210 20.330 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.893 52.203 18.917 1.00 0.00 C ATOM 0 H LEU A 15 41.321 53.679 22.379 1.00 0.00 H new ATOM 0 HA LEU A 15 41.633 53.870 19.470 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.409 51.369 21.176 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.333 51.400 19.426 1.00 0.00 H new ATOM 0 HG LEU A 15 43.716 52.273 21.045 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.689 50.066 20.281 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.235 49.824 21.278 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.135 49.675 19.507 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.971 52.039 18.927 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.452 51.663 18.079 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.689 53.268 18.810 1.00 0.00 H new ATOM 256 N GLU A 16 39.193 53.334 19.074 1.00 0.00 N ATOM 257 CA GLU A 16 37.776 53.202 18.799 1.00 0.00 C ATOM 258 C GLU A 16 37.549 52.008 17.870 1.00 0.00 C ATOM 259 O GLU A 16 38.103 51.939 16.776 1.00 0.00 O ATOM 260 CB GLU A 16 37.241 54.521 18.248 1.00 0.00 C ATOM 261 CG GLU A 16 36.262 55.233 19.178 1.00 0.00 C ATOM 262 CD GLU A 16 34.832 54.707 19.045 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.639 53.494 18.814 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.875 55.505 19.129 1.00 0.00 O ATOM 0 H GLU A 16 39.754 53.430 18.228 1.00 0.00 H new ATOM 0 HA GLU A 16 37.215 52.997 19.711 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.081 55.185 18.045 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.747 54.331 17.295 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.594 55.113 20.209 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.273 56.301 18.962 1.00 0.00 H new ATOM 271 N VAL A 17 36.802 51.014 18.345 1.00 0.00 N ATOM 272 CA VAL A 17 36.721 49.669 17.811 1.00 0.00 C ATOM 273 C VAL A 17 35.292 49.123 17.834 1.00 0.00 C ATOM 274 O VAL A 17 34.444 49.606 18.580 1.00 0.00 O ATOM 275 CB VAL A 17 37.645 48.718 18.567 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.115 49.065 18.357 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.374 48.674 20.068 1.00 0.00 C ATOM 0 H VAL A 17 36.204 51.140 19.162 1.00 0.00 H new ATOM 0 HA VAL A 17 37.044 49.730 16.772 1.00 0.00 H new ATOM 0 HB VAL A 17 37.429 47.735 18.148 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.737 48.363 18.913 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.356 49.002 17.296 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.304 50.078 18.712 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.066 47.979 20.543 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.511 49.669 20.492 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.350 48.343 20.243 1.00 0.00 H new ATOM 287 N GLU A 18 35.017 48.085 17.051 1.00 0.00 N ATOM 288 CA GLU A 18 33.772 47.350 17.142 1.00 0.00 C ATOM 289 C GLU A 18 33.837 46.324 18.276 1.00 0.00 C ATOM 290 O GLU A 18 34.894 45.729 18.475 1.00 0.00 O ATOM 291 CB GLU A 18 33.447 46.636 15.834 1.00 0.00 C ATOM 292 CG GLU A 18 33.297 47.542 14.615 1.00 0.00 C ATOM 293 CD GLU A 18 32.138 48.530 14.752 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.971 48.158 14.500 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.392 49.697 15.122 1.00 0.00 O ATOM 0 H GLU A 18 35.655 47.734 16.337 1.00 0.00 H new ATOM 0 HA GLU A 18 32.983 48.073 17.348 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.234 45.909 15.631 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.521 46.076 15.966 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.224 48.095 14.462 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.142 46.928 13.728 1.00 0.00 H new ATOM 302 N PRO A 19 32.745 46.010 18.968 1.00 0.00 N ATOM 303 CA PRO A 19 32.692 44.889 19.884 1.00 0.00 C ATOM 304 C PRO A 19 33.052 43.545 19.250 1.00 0.00 C ATOM 305 O PRO A 19 33.506 42.637 19.944 1.00 0.00 O ATOM 306 CB PRO A 19 31.265 44.862 20.426 1.00 0.00 C ATOM 307 CG PRO A 19 30.804 46.310 20.282 1.00 0.00 C ATOM 308 CD PRO A 19 31.498 46.746 18.996 1.00 0.00 C ATOM 0 HA PRO A 19 33.440 45.028 20.665 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.632 44.181 19.858 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.236 44.532 21.465 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.719 46.386 20.204 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.106 46.919 21.134 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.887 46.519 18.122 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.675 47.821 18.990 1.00 0.00 H new ATOM 316 N SER A 20 32.876 43.418 17.938 1.00 0.00 N ATOM 317 CA SER A 20 33.215 42.263 17.133 1.00 0.00 C ATOM 318 C SER A 20 34.620 42.285 16.526 1.00 0.00 C ATOM 319 O SER A 20 34.972 41.343 15.819 1.00 0.00 O ATOM 320 CB SER A 20 32.171 42.122 16.029 1.00 0.00 C ATOM 321 OG SER A 20 32.133 43.305 15.264 1.00 0.00 O ATOM 0 H SER A 20 32.468 44.168 17.381 1.00 0.00 H new ATOM 0 HA SER A 20 33.215 41.405 17.805 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.413 41.272 15.391 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.191 41.926 16.464 1.00 0.00 H new ATOM 0 HG SER A 20 31.464 43.214 14.554 1.00 0.00 H new ATOM 327 N ASP A 21 35.443 43.299 16.780 1.00 0.00 N ATOM 328 CA ASP A 21 36.828 43.282 16.353 1.00 0.00 C ATOM 329 C ASP A 21 37.594 42.177 17.082 1.00 0.00 C ATOM 330 O ASP A 21 37.455 41.992 18.290 1.00 0.00 O ATOM 331 CB ASP A 21 37.517 44.632 16.531 1.00 0.00 C ATOM 332 CG ASP A 21 37.345 45.576 15.339 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.534 45.126 14.188 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.089 46.784 15.536 1.00 0.00 O ATOM 0 H ASP A 21 35.168 44.143 17.282 1.00 0.00 H new ATOM 0 HA ASP A 21 36.832 43.073 15.283 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.123 45.115 17.425 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.581 44.467 16.701 1.00 0.00 H new ATOM 339 N THR A 22 38.418 41.442 16.342 1.00 0.00 N ATOM 340 CA THR A 22 39.319 40.443 16.884 1.00 0.00 C ATOM 341 C THR A 22 40.489 41.076 17.639 1.00 0.00 C ATOM 342 O THR A 22 40.881 42.210 17.369 1.00 0.00 O ATOM 343 CB THR A 22 39.847 39.510 15.797 1.00 0.00 C ATOM 344 OG1 THR A 22 40.309 40.240 14.683 1.00 0.00 O ATOM 345 CG2 THR A 22 38.775 38.538 15.313 1.00 0.00 C ATOM 0 H THR A 22 38.476 41.530 15.327 1.00 0.00 H new ATOM 0 HA THR A 22 38.734 39.856 17.592 1.00 0.00 H new ATOM 0 HB THR A 22 40.667 38.950 16.247 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.643 39.620 14.002 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.192 37.892 14.540 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.432 37.929 16.149 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.934 39.098 14.904 1.00 0.00 H new ATOM 353 N ILE A 23 41.133 40.331 18.532 1.00 0.00 N ATOM 354 CA ILE A 23 42.386 40.739 19.133 1.00 0.00 C ATOM 355 C ILE A 23 43.475 40.894 18.068 1.00 0.00 C ATOM 356 O ILE A 23 44.298 41.801 18.168 1.00 0.00 O ATOM 357 CB ILE A 23 42.751 39.772 20.257 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.737 39.770 21.397 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.152 40.005 20.817 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.465 41.104 22.085 1.00 0.00 C ATOM 0 H ILE A 23 40.794 39.425 18.856 1.00 0.00 H new ATOM 0 HA ILE A 23 42.283 41.725 19.587 1.00 0.00 H new ATOM 0 HB ILE A 23 42.733 38.790 19.784 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.792 39.390 21.009 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.078 39.063 22.153 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.350 39.286 21.612 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.887 39.879 20.022 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.220 41.017 21.217 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.727 40.962 22.875 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.390 41.486 22.517 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.083 41.818 21.356 1.00 0.00 H new ATOM 372 N GLU A 24 43.421 40.117 16.991 1.00 0.00 N ATOM 373 CA GLU A 24 44.199 40.320 15.785 1.00 0.00 C ATOM 374 C GLU A 24 43.974 41.704 15.173 1.00 0.00 C ATOM 375 O GLU A 24 44.944 42.400 14.885 1.00 0.00 O ATOM 376 CB GLU A 24 43.851 39.218 14.788 1.00 0.00 C ATOM 377 CG GLU A 24 44.782 39.184 13.580 1.00 0.00 C ATOM 378 CD GLU A 24 44.365 38.083 12.604 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.911 36.960 12.676 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.491 38.338 11.748 1.00 0.00 O ATOM 0 H GLU A 24 42.811 39.301 16.937 1.00 0.00 H new ATOM 0 HA GLU A 24 45.257 40.271 16.042 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.889 38.254 15.295 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.826 39.358 14.445 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.765 40.150 13.075 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.807 39.015 13.910 1.00 0.00 H new ATOM 387 N ASN A 25 42.727 42.148 15.035 1.00 0.00 N ATOM 388 CA ASN A 25 42.407 43.491 14.596 1.00 0.00 C ATOM 389 C ASN A 25 42.904 44.554 15.577 1.00 0.00 C ATOM 390 O ASN A 25 43.421 45.578 15.136 1.00 0.00 O ATOM 391 CB ASN A 25 40.906 43.658 14.373 1.00 0.00 C ATOM 392 CG ASN A 25 40.366 43.040 13.082 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.090 42.454 12.280 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.075 43.214 12.817 1.00 0.00 N ATOM 0 H ASN A 25 41.906 41.574 15.229 1.00 0.00 H new ATOM 0 HA ASN A 25 42.926 43.637 13.649 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.378 43.215 15.217 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.671 44.722 14.373 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.681 42.861 11.945 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.478 43.701 13.486 1.00 0.00 H new ATOM 401 N VAL A 26 42.805 44.349 16.887 1.00 0.00 N ATOM 402 CA VAL A 26 43.296 45.297 17.868 1.00 0.00 C ATOM 403 C VAL A 26 44.815 45.450 17.783 1.00 0.00 C ATOM 404 O VAL A 26 45.294 46.578 17.700 1.00 0.00 O ATOM 405 CB VAL A 26 42.831 44.962 19.281 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.407 45.916 20.323 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.311 45.051 19.392 1.00 0.00 C ATOM 0 H VAL A 26 42.380 43.516 17.294 1.00 0.00 H new ATOM 0 HA VAL A 26 42.858 46.265 17.625 1.00 0.00 H new ATOM 0 HB VAL A 26 43.182 43.948 19.473 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.046 45.635 21.312 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.495 45.861 20.305 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.092 46.935 20.097 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.006 44.807 20.410 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.987 46.063 19.148 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.854 44.346 18.697 1.00 0.00 H new ATOM 417 N LYS A 27 45.575 44.363 17.689 1.00 0.00 N ATOM 418 CA LYS A 27 47.005 44.425 17.465 1.00 0.00 C ATOM 419 C LYS A 27 47.350 45.137 16.155 1.00 0.00 C ATOM 420 O LYS A 27 48.275 45.945 16.126 1.00 0.00 O ATOM 421 CB LYS A 27 47.630 43.033 17.465 1.00 0.00 C ATOM 422 CG LYS A 27 47.694 42.333 18.821 1.00 0.00 C ATOM 423 CD LYS A 27 48.412 40.997 18.650 1.00 0.00 C ATOM 424 CE LYS A 27 48.399 40.153 19.921 1.00 0.00 C ATOM 425 NZ LYS A 27 48.871 38.788 19.642 1.00 0.00 N ATOM 0 H LYS A 27 45.210 43.414 17.767 1.00 0.00 H new ATOM 0 HA LYS A 27 47.420 45.002 18.291 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.066 42.402 16.778 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.643 43.110 17.069 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.222 42.956 19.543 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.689 42.174 19.212 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.941 40.437 17.842 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.444 41.180 18.351 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.033 40.615 20.677 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.389 40.118 20.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.399 38.120 20.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.648 38.538 18.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.900 38.740 19.787 1.00 0.00 H new ATOM 439 N ALA A 28 46.586 44.905 15.090 1.00 0.00 N ATOM 440 CA ALA A 28 46.779 45.568 13.816 1.00 0.00 C ATOM 441 C ALA A 28 46.464 47.064 13.873 1.00 0.00 C ATOM 442 O ALA A 28 47.182 47.852 13.262 1.00 0.00 O ATOM 443 CB ALA A 28 45.955 44.844 12.756 1.00 0.00 C ATOM 0 H ALA A 28 45.809 44.244 15.094 1.00 0.00 H new ATOM 0 HA ALA A 28 47.835 45.513 13.550 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.092 45.334 11.792 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.283 43.807 12.686 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.901 44.873 13.032 1.00 0.00 H new ATOM 449 N LYS A 29 45.461 47.495 14.632 1.00 0.00 N ATOM 450 CA LYS A 29 45.161 48.895 14.864 1.00 0.00 C ATOM 451 C LYS A 29 46.242 49.597 15.687 1.00 0.00 C ATOM 452 O LYS A 29 46.543 50.758 15.419 1.00 0.00 O ATOM 453 CB LYS A 29 43.788 49.048 15.512 1.00 0.00 C ATOM 454 CG LYS A 29 42.650 48.747 14.541 1.00 0.00 C ATOM 455 CD LYS A 29 41.298 48.761 15.247 1.00 0.00 C ATOM 456 CE LYS A 29 40.189 48.158 14.389 1.00 0.00 C ATOM 457 NZ LYS A 29 39.935 48.913 13.152 1.00 0.00 N ATOM 0 H LYS A 29 44.822 46.861 15.112 1.00 0.00 H new ATOM 0 HA LYS A 29 45.144 49.387 13.891 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.717 48.379 16.369 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.679 50.064 15.891 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.650 49.484 13.738 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.811 47.773 14.080 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.373 48.206 16.182 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.037 49.787 15.506 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.454 47.132 14.133 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.270 48.113 14.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.172 48.453 12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.653 49.885 13.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.800 48.935 12.575 1.00 0.00 H new ATOM 471 N ILE A 30 46.864 48.890 16.627 1.00 0.00 N ATOM 472 CA ILE A 30 48.005 49.351 17.393 1.00 0.00 C ATOM 473 C ILE A 30 49.256 49.461 16.519 1.00 0.00 C ATOM 474 O ILE A 30 49.980 50.448 16.631 1.00 0.00 O ATOM 475 CB ILE A 30 48.209 48.461 18.616 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.058 48.642 19.602 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.538 48.731 19.317 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.961 47.529 20.642 1.00 0.00 C ATOM 0 H ILE A 30 46.572 47.946 16.881 1.00 0.00 H new ATOM 0 HA ILE A 30 47.805 50.359 17.756 1.00 0.00 H new ATOM 0 HB ILE A 30 48.229 47.431 18.260 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.177 49.597 20.114 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.121 48.692 19.048 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.634 48.072 20.180 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.359 48.545 18.625 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.571 49.769 19.647 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.120 47.725 21.308 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.810 46.574 20.139 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.883 47.492 21.223 1.00 0.00 H new ATOM 490 N GLN A 31 49.491 48.527 15.601 1.00 0.00 N ATOM 491 CA GLN A 31 50.542 48.635 14.610 1.00 0.00 C ATOM 492 C GLN A 31 50.342 49.871 13.730 1.00 0.00 C ATOM 493 O GLN A 31 51.280 50.639 13.525 1.00 0.00 O ATOM 494 CB GLN A 31 50.587 47.364 13.767 1.00 0.00 C ATOM 495 CG GLN A 31 51.796 47.308 12.837 1.00 0.00 C ATOM 496 CD GLN A 31 51.736 46.146 11.843 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.718 45.482 11.655 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.835 45.840 11.161 1.00 0.00 N ATOM 0 H GLN A 31 48.947 47.667 15.529 1.00 0.00 H new ATOM 0 HA GLN A 31 51.497 48.750 15.122 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.603 46.497 14.427 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.675 47.296 13.173 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.867 48.246 12.286 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.703 47.220 13.435 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.690 46.379 11.303 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.824 45.067 10.496 1.00 0.00 H new ATOM 507 N ASP A 32 49.121 50.108 13.259 1.00 0.00 N ATOM 508 CA ASP A 32 48.755 51.268 12.471 1.00 0.00 C ATOM 509 C ASP A 32 48.909 52.594 13.219 1.00 0.00 C ATOM 510 O ASP A 32 49.379 53.566 12.632 1.00 0.00 O ATOM 511 CB ASP A 32 47.330 51.038 11.976 1.00 0.00 C ATOM 512 CG ASP A 32 46.707 52.244 11.269 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.221 52.674 10.214 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.658 52.721 11.752 1.00 0.00 O ATOM 0 H ASP A 32 48.339 49.475 13.424 1.00 0.00 H new ATOM 0 HA ASP A 32 49.443 51.368 11.632 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.328 50.189 11.292 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.703 50.765 12.824 1.00 0.00 H new ATOM 519 N LYS A 33 48.561 52.661 14.501 1.00 0.00 N ATOM 520 CA LYS A 33 48.621 53.878 15.284 1.00 0.00 C ATOM 521 C LYS A 33 49.999 54.200 15.866 1.00 0.00 C ATOM 522 O LYS A 33 50.398 55.362 15.862 1.00 0.00 O ATOM 523 CB LYS A 33 47.520 53.869 16.341 1.00 0.00 C ATOM 524 CG LYS A 33 47.289 55.269 16.900 1.00 0.00 C ATOM 525 CD LYS A 33 46.012 55.366 17.729 1.00 0.00 C ATOM 526 CE LYS A 33 45.701 56.831 18.021 1.00 0.00 C ATOM 527 NZ LYS A 33 44.336 56.999 18.544 1.00 0.00 N ATOM 0 H LYS A 33 48.225 51.855 15.028 1.00 0.00 H new ATOM 0 HA LYS A 33 48.442 54.702 14.594 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.595 53.490 15.905 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.793 53.191 17.150 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.141 55.555 17.517 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.238 55.981 16.076 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.182 54.908 17.191 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.130 54.816 18.663 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.419 57.219 18.743 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.817 57.417 17.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.264 57.910 19.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.657 56.980 17.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.120 56.226 19.206 1.00 0.00 H new ATOM 541 N GLU A 34 50.727 53.207 16.371 1.00 0.00 N ATOM 542 CA GLU A 34 51.958 53.371 17.118 1.00 0.00 C ATOM 543 C GLU A 34 53.188 52.725 16.479 1.00 0.00 C ATOM 544 O GLU A 34 54.301 52.965 16.943 1.00 0.00 O ATOM 545 CB GLU A 34 51.761 52.832 18.532 1.00 0.00 C ATOM 546 CG GLU A 34 50.919 53.722 19.442 1.00 0.00 C ATOM 547 CD GLU A 34 51.640 55.005 19.857 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.828 54.943 20.242 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.043 56.099 19.774 1.00 0.00 O ATOM 0 H GLU A 34 50.459 52.229 16.263 1.00 0.00 H new ATOM 0 HA GLU A 34 52.168 54.441 17.126 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.291 51.851 18.470 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.739 52.688 18.991 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.992 53.982 18.930 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.644 53.161 20.335 1.00 0.00 H new ATOM 556 N GLY A 35 53.036 51.917 15.433 1.00 0.00 N ATOM 557 CA GLY A 35 54.135 51.283 14.732 1.00 0.00 C ATOM 558 C GLY A 35 54.660 49.987 15.353 1.00 0.00 C ATOM 559 O GLY A 35 55.674 49.466 14.893 1.00 0.00 O ATOM 0 H GLY A 35 52.122 51.683 15.045 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.817 51.072 13.711 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.959 51.994 14.669 1.00 0.00 H new ATOM 563 N ILE A 36 54.012 49.456 16.385 1.00 0.00 N ATOM 564 CA ILE A 36 54.461 48.283 17.109 1.00 0.00 C ATOM 565 C ILE A 36 54.107 47.024 16.314 1.00 0.00 C ATOM 566 O ILE A 36 52.919 46.776 16.116 1.00 0.00 O ATOM 567 CB ILE A 36 53.861 48.234 18.511 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.972 49.546 19.283 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.523 47.110 19.302 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.168 49.572 20.580 1.00 0.00 C ATOM 0 H ILE A 36 53.140 49.842 16.746 1.00 0.00 H new ATOM 0 HA ILE A 36 55.544 48.336 17.225 1.00 0.00 H new ATOM 0 HB ILE A 36 52.794 48.050 18.386 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.021 49.732 19.514 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.636 50.362 18.643 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.097 47.071 20.305 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.350 46.159 18.797 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.595 47.295 19.370 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.299 50.537 21.070 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.112 49.418 20.357 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.518 48.779 21.241 1.00 0.00 H new ATOM 582 N PRO A 37 55.054 46.200 15.877 1.00 0.00 N ATOM 583 CA PRO A 37 54.756 45.037 15.064 1.00 0.00 C ATOM 584 C PRO A 37 53.986 43.975 15.850 1.00 0.00 C ATOM 585 O PRO A 37 54.361 43.673 16.981 1.00 0.00 O ATOM 586 CB PRO A 37 56.103 44.527 14.560 1.00 0.00 C ATOM 587 CG PRO A 37 57.089 44.999 15.625 1.00 0.00 C ATOM 588 CD PRO A 37 56.482 46.319 16.093 1.00 0.00 C ATOM 0 HA PRO A 37 54.101 45.291 14.230 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.109 43.441 14.462 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.345 44.937 13.580 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.175 44.282 16.442 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.090 45.137 15.216 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.704 46.499 17.145 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.893 47.158 15.532 1.00 0.00 H new ATOM 596 N PRO A 38 52.921 43.391 15.306 1.00 0.00 N ATOM 597 CA PRO A 38 52.033 42.509 16.037 1.00 0.00 C ATOM 598 C PRO A 38 52.700 41.226 16.535 1.00 0.00 C ATOM 599 O PRO A 38 52.295 40.719 17.579 1.00 0.00 O ATOM 600 CB PRO A 38 50.855 42.232 15.108 1.00 0.00 C ATOM 601 CG PRO A 38 51.435 42.447 13.713 1.00 0.00 C ATOM 602 CD PRO A 38 52.403 43.598 13.969 1.00 0.00 C ATOM 0 HA PRO A 38 51.709 42.991 16.959 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.477 41.217 15.232 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.023 42.908 15.304 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.942 41.559 13.337 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.668 42.709 12.984 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.208 43.602 13.234 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.896 44.560 13.891 1.00 0.00 H new ATOM 610 N ASP A 39 53.765 40.748 15.897 1.00 0.00 N ATOM 611 CA ASP A 39 54.559 39.636 16.377 1.00 0.00 C ATOM 612 C ASP A 39 55.174 39.885 17.756 1.00 0.00 C ATOM 613 O ASP A 39 55.357 38.950 18.532 1.00 0.00 O ATOM 614 CB ASP A 39 55.659 39.343 15.361 1.00 0.00 C ATOM 615 CG ASP A 39 56.523 38.146 15.764 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.762 38.284 15.853 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.956 37.045 15.935 1.00 0.00 O ATOM 0 H ASP A 39 54.101 41.135 15.015 1.00 0.00 H new ATOM 0 HA ASP A 39 53.893 38.780 16.488 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.208 39.151 14.387 1.00 0.00 H new ATOM 0 HB3 ASP A 39 56.292 40.224 15.251 1.00 0.00 H new ATOM 622 N GLN A 40 55.458 41.137 18.101 1.00 0.00 N ATOM 623 CA GLN A 40 56.050 41.526 19.365 1.00 0.00 C ATOM 624 C GLN A 40 55.015 41.957 20.406 1.00 0.00 C ATOM 625 O GLN A 40 55.366 42.086 21.577 1.00 0.00 O ATOM 626 CB GLN A 40 57.097 42.609 19.120 1.00 0.00 C ATOM 627 CG GLN A 40 58.266 42.081 18.293 1.00 0.00 C ATOM 628 CD GLN A 40 59.290 43.142 17.883 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.303 44.282 18.342 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.182 42.779 16.966 1.00 0.00 N ATOM 0 H GLN A 40 55.275 41.929 17.486 1.00 0.00 H new ATOM 0 HA GLN A 40 56.534 40.648 19.793 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.636 43.452 18.604 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.465 42.983 20.075 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.776 41.305 18.864 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.873 41.608 17.393 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.168 41.832 16.588 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.880 43.448 16.641 1.00 0.00 H new ATOM 639 N GLN A 41 53.759 42.166 20.024 1.00 0.00 N ATOM 640 CA GLN A 41 52.695 42.561 20.925 1.00 0.00 C ATOM 641 C GLN A 41 52.103 41.369 21.679 1.00 0.00 C ATOM 642 O GLN A 41 51.788 40.346 21.075 1.00 0.00 O ATOM 643 CB GLN A 41 51.569 43.262 20.169 1.00 0.00 C ATOM 644 CG GLN A 41 51.911 44.609 19.540 1.00 0.00 C ATOM 645 CD GLN A 41 50.675 45.225 18.881 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.586 45.239 19.451 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.756 45.730 17.654 1.00 0.00 N ATOM 0 H GLN A 41 53.451 42.062 19.057 1.00 0.00 H new ATOM 0 HA GLN A 41 53.145 43.245 21.645 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.220 42.595 19.380 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.735 43.407 20.856 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.298 45.285 20.303 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.699 44.480 18.798 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.649 45.730 17.160 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.926 46.118 17.206 1.00 0.00 H new ATOM 656 N ARG A 42 51.838 41.537 22.971 1.00 0.00 N ATOM 657 CA ARG A 42 50.939 40.717 23.760 1.00 0.00 C ATOM 658 C ARG A 42 49.975 41.641 24.504 1.00 0.00 C ATOM 659 O ARG A 42 50.398 42.651 25.062 1.00 0.00 O ATOM 660 CB ARG A 42 51.716 39.823 24.723 1.00 0.00 C ATOM 661 CG ARG A 42 52.738 38.892 24.075 1.00 0.00 C ATOM 662 CD ARG A 42 52.126 37.799 23.201 1.00 0.00 C ATOM 663 NE ARG A 42 53.151 36.933 22.619 1.00 0.00 N ATOM 664 CZ ARG A 42 53.797 37.105 21.459 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.608 38.161 20.656 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.689 36.190 21.054 1.00 0.00 N ATOM 0 H ARG A 42 52.267 42.284 23.517 1.00 0.00 H new ATOM 0 HA ARG A 42 50.372 40.053 23.108 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.233 40.457 25.443 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.004 39.218 25.285 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.421 39.487 23.468 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.334 38.424 24.858 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.439 37.199 23.797 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.541 38.256 22.403 1.00 0.00 H new ATOM 0 HE ARG A 42 53.402 36.104 23.158 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.942 38.888 20.918 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.130 38.238 19.783 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.873 35.368 21.629 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.184 36.316 20.171 1.00 0.00 H new ATOM 680 N LEU A 43 48.683 41.325 24.485 1.00 0.00 N ATOM 681 CA LEU A 43 47.635 42.139 25.067 1.00 0.00 C ATOM 682 C LEU A 43 47.006 41.427 26.266 1.00 0.00 C ATOM 683 O LEU A 43 46.683 40.243 26.201 1.00 0.00 O ATOM 684 CB LEU A 43 46.612 42.532 24.005 1.00 0.00 C ATOM 685 CG LEU A 43 47.168 43.357 22.847 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.064 43.665 21.840 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.772 44.687 23.284 1.00 0.00 C ATOM 0 H LEU A 43 48.333 40.471 24.051 1.00 0.00 H new ATOM 0 HA LEU A 43 48.066 43.066 25.445 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.162 41.625 23.602 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.813 43.098 24.484 1.00 0.00 H new ATOM 0 HG LEU A 43 47.958 42.748 22.407 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.474 44.254 21.019 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.657 42.732 21.450 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.271 44.229 22.331 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.147 45.221 22.411 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.008 45.289 23.777 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.593 44.504 23.978 1.00 0.00 H new ATOM 699 N ILE A 44 46.854 42.168 27.361 1.00 0.00 N ATOM 700 CA ILE A 44 46.414 41.706 28.661 1.00 0.00 C ATOM 701 C ILE A 44 45.144 42.460 29.062 1.00 0.00 C ATOM 702 O ILE A 44 45.070 43.676 28.906 1.00 0.00 O ATOM 703 CB ILE A 44 47.503 41.903 29.713 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.932 41.584 29.285 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.169 41.152 30.999 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.203 40.141 28.870 1.00 0.00 C ATOM 0 H ILE A 44 47.049 43.169 27.356 1.00 0.00 H new ATOM 0 HA ILE A 44 46.202 40.639 28.601 1.00 0.00 H new ATOM 0 HB ILE A 44 47.497 42.980 29.878 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.194 42.236 28.451 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.601 41.835 30.108 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.962 41.311 31.730 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.226 41.521 31.401 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.080 40.087 30.786 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.250 40.034 28.587 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.983 39.475 29.704 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.570 39.881 28.022 1.00 0.00 H new ATOM 718 N PHE A 45 44.172 41.754 29.634 1.00 0.00 N ATOM 719 CA PHE A 45 43.048 42.356 30.321 1.00 0.00 C ATOM 720 C PHE A 45 42.807 41.673 31.669 1.00 0.00 C ATOM 721 O PHE A 45 42.710 40.450 31.734 1.00 0.00 O ATOM 722 CB PHE A 45 41.800 42.305 29.445 1.00 0.00 C ATOM 723 CG PHE A 45 40.608 43.009 30.047 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.649 44.390 30.271 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.465 42.283 30.404 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.553 45.047 30.844 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.365 42.938 30.971 1.00 0.00 C ATOM 728 CZ PHE A 45 38.407 44.321 31.188 1.00 0.00 C ATOM 0 H PHE A 45 44.149 40.734 29.630 1.00 0.00 H new ATOM 0 HA PHE A 45 43.281 43.403 30.517 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.027 42.755 28.478 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.540 41.263 29.259 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.531 44.952 30.000 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.432 41.216 30.242 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.592 46.112 31.020 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.483 42.376 31.241 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.556 44.827 31.620 1.00 0.00 H new ATOM 738 N ALA A 46 42.729 42.465 32.735 1.00 0.00 N ATOM 739 CA ALA A 46 42.564 42.015 34.103 1.00 0.00 C ATOM 740 C ALA A 46 43.527 40.887 34.478 1.00 0.00 C ATOM 741 O ALA A 46 43.120 39.806 34.900 1.00 0.00 O ATOM 742 CB ALA A 46 41.091 41.708 34.355 1.00 0.00 C ATOM 0 H ALA A 46 42.782 43.481 32.659 1.00 0.00 H new ATOM 0 HA ALA A 46 42.848 42.817 34.784 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.961 41.369 35.383 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.499 42.608 34.192 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.760 40.927 33.671 1.00 0.00 H new ATOM 748 N GLY A 47 44.819 41.089 34.240 1.00 0.00 N ATOM 749 CA GLY A 47 45.857 40.129 34.556 1.00 0.00 C ATOM 750 C GLY A 47 45.913 38.866 33.693 1.00 0.00 C ATOM 751 O GLY A 47 46.684 37.970 34.029 1.00 0.00 O ATOM 0 H GLY A 47 45.175 41.944 33.813 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.820 40.634 34.483 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.734 39.825 35.596 1.00 0.00 H new ATOM 755 N LYS A 48 45.143 38.766 32.614 1.00 0.00 N ATOM 756 CA LYS A 48 45.056 37.610 31.743 1.00 0.00 C ATOM 757 C LYS A 48 45.371 37.947 30.284 1.00 0.00 C ATOM 758 O LYS A 48 44.837 38.910 29.736 1.00 0.00 O ATOM 759 CB LYS A 48 43.679 36.981 31.936 1.00 0.00 C ATOM 760 CG LYS A 48 43.478 35.655 31.208 1.00 0.00 C ATOM 761 CD LYS A 48 42.736 35.827 29.885 1.00 0.00 C ATOM 762 CE LYS A 48 42.402 34.506 29.197 1.00 0.00 C ATOM 763 NZ LYS A 48 43.605 33.786 28.753 1.00 0.00 N ATOM 0 H LYS A 48 44.536 39.528 32.313 1.00 0.00 H new ATOM 0 HA LYS A 48 45.821 36.883 32.015 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.512 36.824 33.002 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.921 37.686 31.595 1.00 0.00 H new ATOM 0 HG2 LYS A 48 44.448 35.195 31.021 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.920 34.972 31.849 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.813 36.377 30.065 1.00 0.00 H new ATOM 0 HD3 LYS A 48 43.343 36.434 29.213 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.836 33.875 29.883 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.759 34.699 28.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 43.346 33.097 28.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 44.292 34.464 28.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 44.029 33.287 29.561 1.00 0.00 H new ATOM 777 N GLN A 49 46.235 37.159 29.651 1.00 0.00 N ATOM 778 CA GLN A 49 46.662 37.333 28.277 1.00 0.00 C ATOM 779 C GLN A 49 45.602 36.865 27.278 1.00 0.00 C ATOM 780 O GLN A 49 45.038 35.783 27.430 1.00 0.00 O ATOM 781 CB GLN A 49 47.993 36.620 28.058 1.00 0.00 C ATOM 782 CG GLN A 49 48.635 36.967 26.719 1.00 0.00 C ATOM 783 CD GLN A 49 49.906 36.158 26.455 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.899 35.174 25.718 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.056 36.526 27.013 1.00 0.00 N ATOM 0 H GLN A 49 46.670 36.354 30.102 1.00 0.00 H new ATOM 0 HA GLN A 49 46.799 38.399 28.096 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.678 36.884 28.864 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.836 35.543 28.113 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.919 36.785 25.918 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.873 38.030 26.698 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.087 37.339 27.628 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.907 35.995 26.826 1.00 0.00 H new ATOM 794 N LEU A 50 45.347 37.662 26.245 1.00 0.00 N ATOM 795 CA LEU A 50 44.313 37.453 25.251 1.00 0.00 C ATOM 796 C LEU A 50 44.840 36.771 23.986 1.00 0.00 C ATOM 797 O LEU A 50 46.008 36.928 23.635 1.00 0.00 O ATOM 798 CB LEU A 50 43.641 38.788 24.938 1.00 0.00 C ATOM 799 CG LEU A 50 43.193 39.617 26.139 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.531 40.903 25.653 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.217 38.882 27.053 1.00 0.00 C ATOM 0 H LEU A 50 45.885 38.511 26.075 1.00 0.00 H new ATOM 0 HA LEU A 50 43.574 36.767 25.665 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.332 39.388 24.346 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.770 38.594 24.312 1.00 0.00 H new ATOM 0 HG LEU A 50 44.090 39.826 26.721 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.211 41.494 26.511 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.243 41.478 25.061 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.665 40.657 25.039 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.940 39.529 27.885 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.323 38.613 26.490 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.689 37.978 27.438 1.00 0.00 H new ATOM 813 N GLU A 51 43.985 36.029 23.288 1.00 0.00 N ATOM 814 CA GLU A 51 44.295 35.292 22.079 1.00 0.00 C ATOM 815 C GLU A 51 43.729 35.958 20.824 1.00 0.00 C ATOM 816 O GLU A 51 42.584 36.405 20.802 1.00 0.00 O ATOM 817 CB GLU A 51 43.827 33.845 22.201 1.00 0.00 C ATOM 818 CG GLU A 51 44.568 33.063 23.281 1.00 0.00 C ATOM 819 CD GLU A 51 44.203 31.578 23.272 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.407 31.138 24.130 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.750 30.823 22.439 1.00 0.00 O ATOM 0 H GLU A 51 43.010 35.924 23.569 1.00 0.00 H new ATOM 0 HA GLU A 51 45.379 35.297 21.965 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.759 33.832 22.420 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.961 33.344 21.242 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.642 33.172 23.134 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.336 33.487 24.258 1.00 0.00 H new ATOM 828 N ASP A 52 44.520 35.991 19.754 1.00 0.00 N ATOM 829 CA ASP A 52 44.305 36.746 18.537 1.00 0.00 C ATOM 830 C ASP A 52 42.961 36.493 17.852 1.00 0.00 C ATOM 831 O ASP A 52 42.324 37.445 17.407 1.00 0.00 O ATOM 832 CB ASP A 52 45.429 36.449 17.548 1.00 0.00 C ATOM 833 CG ASP A 52 46.769 37.033 17.999 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.113 38.159 17.581 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.494 36.385 18.785 1.00 0.00 O ATOM 0 H ASP A 52 45.385 35.452 19.719 1.00 0.00 H new ATOM 0 HA ASP A 52 44.298 37.793 18.840 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.528 35.370 17.427 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.168 36.857 16.571 1.00 0.00 H new ATOM 840 N GLY A 53 42.521 35.240 17.772 1.00 0.00 N ATOM 841 CA GLY A 53 41.310 34.855 17.074 1.00 0.00 C ATOM 842 C GLY A 53 39.998 35.198 17.783 1.00 0.00 C ATOM 843 O GLY A 53 38.938 35.018 17.187 1.00 0.00 O ATOM 0 H GLY A 53 43.009 34.454 18.200 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.309 35.334 16.095 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.338 33.779 16.902 1.00 0.00 H new ATOM 847 N ARG A 54 40.021 35.653 19.033 1.00 0.00 N ATOM 848 CA ARG A 54 38.844 35.986 19.811 1.00 0.00 C ATOM 849 C ARG A 54 38.426 37.444 19.607 1.00 0.00 C ATOM 850 O ARG A 54 39.280 38.277 19.310 1.00 0.00 O ATOM 851 CB ARG A 54 39.093 35.698 21.288 1.00 0.00 C ATOM 852 CG ARG A 54 39.595 34.299 21.636 1.00 0.00 C ATOM 853 CD ARG A 54 38.689 33.199 21.092 1.00 0.00 C ATOM 854 NE ARG A 54 39.065 31.884 21.613 1.00 0.00 N ATOM 855 CZ ARG A 54 38.419 30.731 21.388 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.351 30.641 20.584 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.836 29.607 21.987 1.00 0.00 N ATOM 0 H ARG A 54 40.891 35.803 19.544 1.00 0.00 H new ATOM 0 HA ARG A 54 38.022 35.361 19.462 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.818 36.422 21.659 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.164 35.871 21.830 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.600 34.168 21.236 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.668 34.202 22.719 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.654 33.414 21.359 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.742 33.188 20.003 1.00 0.00 H new ATOM 0 HE ARG A 54 39.896 31.841 22.202 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.996 31.473 20.112 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.893 29.741 20.444 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.642 29.631 22.611 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.347 28.728 21.818 1.00 0.00 H new ATOM 871 N THR A 55 37.150 37.768 19.794 1.00 0.00 N ATOM 872 CA THR A 55 36.645 39.124 19.710 1.00 0.00 C ATOM 873 C THR A 55 36.487 39.797 21.075 1.00 0.00 C ATOM 874 O THR A 55 36.406 39.135 22.107 1.00 0.00 O ATOM 875 CB THR A 55 35.357 39.244 18.900 1.00 0.00 C ATOM 876 OG1 THR A 55 34.254 38.695 19.586 1.00 0.00 O ATOM 877 CG2 THR A 55 35.430 38.587 17.524 1.00 0.00 C ATOM 0 H THR A 55 36.430 37.079 20.012 1.00 0.00 H new ATOM 0 HA THR A 55 37.420 39.664 19.167 1.00 0.00 H new ATOM 0 HB THR A 55 35.226 40.317 18.762 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.309 37.717 19.565 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.478 38.714 17.009 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.223 39.053 16.940 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.641 37.524 17.639 1.00 0.00 H new ATOM 885 N LEU A 56 36.416 41.126 21.090 1.00 0.00 N ATOM 886 CA LEU A 56 36.264 41.895 22.308 1.00 0.00 C ATOM 887 C LEU A 56 34.989 41.553 23.081 1.00 0.00 C ATOM 888 O LEU A 56 35.022 41.509 24.309 1.00 0.00 O ATOM 889 CB LEU A 56 36.347 43.382 21.973 1.00 0.00 C ATOM 890 CG LEU A 56 37.716 43.854 21.493 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.609 45.280 20.960 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.756 43.858 22.609 1.00 0.00 C ATOM 0 H LEU A 56 36.463 41.698 20.247 1.00 0.00 H new ATOM 0 HA LEU A 56 37.080 41.629 22.980 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.610 43.608 21.203 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.070 43.955 22.858 1.00 0.00 H new ATOM 0 HG LEU A 56 38.034 43.156 20.718 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.588 45.615 20.618 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.905 45.306 20.128 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.257 45.939 21.753 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.712 44.202 22.214 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.431 44.526 23.407 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.869 42.849 23.005 1.00 0.00 H new ATOM 904 N SER A 57 33.886 41.235 22.408 1.00 0.00 N ATOM 905 CA SER A 57 32.675 40.767 23.049 1.00 0.00 C ATOM 906 C SER A 57 32.809 39.378 23.677 1.00 0.00 C ATOM 907 O SER A 57 32.150 39.115 24.680 1.00 0.00 O ATOM 908 CB SER A 57 31.480 40.813 22.103 1.00 0.00 C ATOM 909 OG SER A 57 31.579 39.857 21.070 1.00 0.00 O ATOM 0 H SER A 57 33.814 41.298 21.392 1.00 0.00 H new ATOM 0 HA SER A 57 32.499 41.463 23.869 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.564 40.640 22.669 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.402 41.809 21.667 1.00 0.00 H new ATOM 0 HG SER A 57 32.523 39.710 20.850 1.00 0.00 H new ATOM 915 N ASP A 58 33.686 38.511 23.176 1.00 0.00 N ATOM 916 CA ASP A 58 33.947 37.213 23.764 1.00 0.00 C ATOM 917 C ASP A 58 34.672 37.331 25.105 1.00 0.00 C ATOM 918 O ASP A 58 34.488 36.496 25.987 1.00 0.00 O ATOM 919 CB ASP A 58 34.743 36.318 22.818 1.00 0.00 C ATOM 920 CG ASP A 58 34.083 36.106 21.454 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.874 35.791 21.396 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.776 36.257 20.426 1.00 0.00 O ATOM 0 H ASP A 58 34.239 38.699 22.340 1.00 0.00 H new ATOM 0 HA ASP A 58 32.975 36.752 23.941 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.731 36.754 22.668 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.892 35.348 23.292 1.00 0.00 H new ATOM 927 N TYR A 59 35.440 38.402 25.292 1.00 0.00 N ATOM 928 CA TYR A 59 36.080 38.780 26.536 1.00 0.00 C ATOM 929 C TYR A 59 35.257 39.729 27.409 1.00 0.00 C ATOM 930 O TYR A 59 35.761 40.187 28.433 1.00 0.00 O ATOM 931 CB TYR A 59 37.476 39.321 26.238 1.00 0.00 C ATOM 932 CG TYR A 59 38.469 38.288 25.763 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.777 37.197 26.583 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.121 38.451 24.533 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.722 36.250 26.172 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.094 37.527 24.133 1.00 0.00 C ATOM 937 CZ TYR A 59 40.390 36.413 24.942 1.00 0.00 C ATOM 938 OH TYR A 59 41.337 35.515 24.545 1.00 0.00 O ATOM 0 H TYR A 59 35.639 39.059 24.537 1.00 0.00 H new ATOM 0 HA TYR A 59 36.162 37.880 27.145 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.394 40.100 25.480 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.867 39.793 27.139 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.283 37.085 27.537 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.874 39.287 23.896 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.939 35.396 26.796 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.620 37.669 23.200 1.00 0.00 H new ATOM 0 HH TYR A 59 40.934 34.624 24.475 1.00 0.00 H new ATOM 948 N ASN A 60 34.005 40.012 27.064 1.00 0.00 N ATOM 949 CA ASN A 60 33.106 40.888 27.787 1.00 0.00 C ATOM 950 C ASN A 60 33.657 42.298 28.008 1.00 0.00 C ATOM 951 O ASN A 60 33.382 42.915 29.035 1.00 0.00 O ATOM 952 CB ASN A 60 32.604 40.239 29.073 1.00 0.00 C ATOM 953 CG ASN A 60 31.886 38.893 28.957 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.954 38.163 27.970 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.192 38.481 30.014 1.00 0.00 N ATOM 0 H ASN A 60 33.574 39.614 26.230 1.00 0.00 H new ATOM 0 HA ASN A 60 32.241 41.032 27.139 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.458 40.107 29.738 1.00 0.00 H new ATOM 0 HB3 ASN A 60 31.926 40.940 29.560 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.727 37.573 29.997 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.124 39.073 30.842 1.00 0.00 H new ATOM 962 N ILE A 61 34.450 42.833 27.084 1.00 0.00 N ATOM 963 CA ILE A 61 35.046 44.150 27.183 1.00 0.00 C ATOM 964 C ILE A 61 33.977 45.243 27.106 1.00 0.00 C ATOM 965 O ILE A 61 32.986 45.098 26.394 1.00 0.00 O ATOM 966 CB ILE A 61 36.145 44.330 26.140 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.226 43.256 26.210 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.796 45.709 26.208 1.00 0.00 C ATOM 969 CD1 ILE A 61 37.967 43.131 27.538 1.00 0.00 C ATOM 0 H ILE A 61 34.699 42.344 26.224 1.00 0.00 H new ATOM 0 HA ILE A 61 35.520 44.244 28.160 1.00 0.00 H new ATOM 0 HB ILE A 61 35.632 44.229 25.183 1.00 0.00 H new ATOM 0 HG12 ILE A 61 36.768 42.294 25.981 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.958 43.455 25.427 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.571 45.784 25.445 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.041 46.476 26.036 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.241 45.853 27.192 1.00 0.00 H new ATOM 0 HD11 ILE A 61 38.710 42.336 27.467 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.465 44.073 27.767 1.00 0.00 H new ATOM 0 HD13 ILE A 61 37.257 42.894 28.330 1.00 0.00 H new ATOM 981 N GLN A 62 34.169 46.325 27.855 1.00 0.00 N ATOM 982 CA GLN A 62 33.236 47.423 28.008 1.00 0.00 C ATOM 983 C GLN A 62 33.847 48.752 27.564 1.00 0.00 C ATOM 984 O GLN A 62 35.068 48.883 27.510 1.00 0.00 O ATOM 985 CB GLN A 62 32.780 47.502 29.463 1.00 0.00 C ATOM 986 CG GLN A 62 31.990 46.262 29.873 1.00 0.00 C ATOM 987 CD GLN A 62 31.408 46.317 31.287 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.781 47.120 32.140 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.467 45.430 31.596 1.00 0.00 N ATOM 0 H GLN A 62 35.023 46.461 28.396 1.00 0.00 H new ATOM 0 HA GLN A 62 32.376 47.234 27.365 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.649 47.611 30.112 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.164 48.390 29.604 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.175 46.116 29.164 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.640 45.391 29.795 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.149 44.759 30.897 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.063 45.421 32.532 1.00 0.00 H new ATOM 998 N LYS A 63 33.028 49.771 27.317 1.00 0.00 N ATOM 999 CA LYS A 63 33.513 51.099 27.003 1.00 0.00 C ATOM 1000 C LYS A 63 34.336 51.690 28.150 1.00 0.00 C ATOM 1001 O LYS A 63 34.052 51.441 29.318 1.00 0.00 O ATOM 1002 CB LYS A 63 32.378 52.000 26.526 1.00 0.00 C ATOM 1003 CG LYS A 63 31.506 52.571 27.640 1.00 0.00 C ATOM 1004 CD LYS A 63 30.304 53.314 27.063 1.00 0.00 C ATOM 1005 CE LYS A 63 29.720 54.284 28.086 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.487 55.538 28.133 1.00 0.00 N ATOM 0 H LYS A 63 32.011 49.693 27.330 1.00 0.00 H new ATOM 0 HA LYS A 63 34.206 51.022 26.165 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.803 52.826 25.956 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.746 51.434 25.842 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.163 51.765 28.289 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.095 53.249 28.258 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.604 53.860 26.169 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.541 52.598 26.758 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.682 54.500 27.834 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.719 53.819 29.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.027 56.202 28.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.454 55.342 28.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.524 55.958 27.182 1.00 0.00 H new ATOM 1020 N GLU A 64 35.388 52.430 27.809 1.00 0.00 N ATOM 1021 CA GLU A 64 36.405 52.944 28.702 1.00 0.00 C ATOM 1022 C GLU A 64 37.245 51.891 29.428 1.00 0.00 C ATOM 1023 O GLU A 64 38.007 52.232 30.330 1.00 0.00 O ATOM 1024 CB GLU A 64 35.867 54.026 29.635 1.00 0.00 C ATOM 1025 CG GLU A 64 35.559 55.363 28.968 1.00 0.00 C ATOM 1026 CD GLU A 64 34.269 55.357 28.144 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.189 55.635 28.708 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.350 55.177 26.911 1.00 0.00 O ATOM 0 H GLU A 64 35.557 52.699 26.840 1.00 0.00 H new ATOM 0 HA GLU A 64 37.124 53.420 28.035 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.958 53.656 30.108 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.594 54.193 30.429 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.486 56.133 29.736 1.00 0.00 H new ATOM 0 HG3 GLU A 64 36.392 55.636 28.320 1.00 0.00 H new ATOM 1035 N SER A 65 37.194 50.620 29.041 1.00 0.00 N ATOM 1036 CA SER A 65 38.064 49.608 29.607 1.00 0.00 C ATOM 1037 C SER A 65 39.532 49.890 29.280 1.00 0.00 C ATOM 1038 O SER A 65 39.870 50.109 28.120 1.00 0.00 O ATOM 1039 CB SER A 65 37.736 48.204 29.110 1.00 0.00 C ATOM 1040 OG SER A 65 36.430 47.833 29.488 1.00 0.00 O ATOM 0 H SER A 65 36.551 50.269 28.331 1.00 0.00 H new ATOM 0 HA SER A 65 37.897 49.652 30.683 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.830 48.166 28.025 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.454 47.492 29.517 1.00 0.00 H new ATOM 0 HG SER A 65 35.781 48.400 29.022 1.00 0.00 H new ATOM 1046 N THR A 66 40.397 49.816 30.288 1.00 0.00 N ATOM 1047 CA THR A 66 41.837 49.850 30.131 1.00 0.00 C ATOM 1048 C THR A 66 42.405 48.434 30.017 1.00 0.00 C ATOM 1049 O THR A 66 42.294 47.617 30.928 1.00 0.00 O ATOM 1050 CB THR A 66 42.507 50.631 31.258 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.119 51.985 31.191 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.030 50.645 31.158 1.00 0.00 C ATOM 0 H THR A 66 40.101 49.728 31.260 1.00 0.00 H new ATOM 0 HA THR A 66 42.058 50.376 29.202 1.00 0.00 H new ATOM 0 HB THR A 66 42.200 50.136 32.179 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.549 52.485 31.916 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.444 51.217 31.989 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.407 49.623 31.197 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.329 51.106 30.216 1.00 0.00 H new ATOM 1060 N LEU A 67 43.039 48.159 28.880 1.00 0.00 N ATOM 1061 CA LEU A 67 43.847 46.990 28.595 1.00 0.00 C ATOM 1062 C LEU A 67 45.321 47.359 28.768 1.00 0.00 C ATOM 1063 O LEU A 67 45.689 48.530 28.698 1.00 0.00 O ATOM 1064 CB LEU A 67 43.553 46.485 27.186 1.00 0.00 C ATOM 1065 CG LEU A 67 42.255 45.708 26.992 1.00 0.00 C ATOM 1066 CD1 LEU A 67 40.982 46.518 27.226 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.197 45.166 25.567 1.00 0.00 C ATOM 0 H LEU A 67 42.995 48.794 28.083 1.00 0.00 H new ATOM 0 HA LEU A 67 43.606 46.183 29.287 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.540 47.343 26.513 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.380 45.848 26.874 1.00 0.00 H new ATOM 0 HG LEU A 67 42.279 44.920 27.744 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.111 45.882 27.065 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.973 46.894 28.249 1.00 0.00 H new ATOM 0 HD13 LEU A 67 40.952 47.357 26.531 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.270 44.610 25.427 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.234 45.995 24.861 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.046 44.505 25.394 1.00 0.00 H new ATOM 1079 N HIS A 68 46.188 46.367 28.949 1.00 0.00 N ATOM 1080 CA HIS A 68 47.615 46.550 29.125 1.00 0.00 C ATOM 1081 C HIS A 68 48.388 45.864 27.997 1.00 0.00 C ATOM 1082 O HIS A 68 48.040 44.759 27.586 1.00 0.00 O ATOM 1083 CB HIS A 68 48.023 46.055 30.511 1.00 0.00 C ATOM 1084 CG HIS A 68 47.340 46.769 31.645 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.230 46.315 32.355 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.722 47.987 32.144 1.00 0.00 C ATOM 1087 CE1 HIS A 68 45.966 47.260 33.259 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.835 48.278 33.163 1.00 0.00 N ATOM 0 H HIS A 68 45.903 45.388 28.977 1.00 0.00 H new ATOM 0 HA HIS A 68 47.865 47.609 29.068 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.805 44.990 30.583 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.101 46.168 30.622 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.549 48.596 31.809 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.158 47.212 33.975 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.840 49.119 33.741 1.00 0.00 H new ATOM 1096 N LEU A 69 49.441 46.504 27.498 1.00 0.00 N ATOM 1097 CA LEU A 69 50.302 45.992 26.450 1.00 0.00 C ATOM 1098 C LEU A 69 51.664 45.611 27.034 1.00 0.00 C ATOM 1099 O LEU A 69 52.321 46.424 27.681 1.00 0.00 O ATOM 1100 CB LEU A 69 50.375 47.014 25.319 1.00 0.00 C ATOM 1101 CG LEU A 69 51.088 46.557 24.050 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.628 47.407 22.869 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.607 46.703 24.090 1.00 0.00 C ATOM 0 H LEU A 69 49.724 47.427 27.828 1.00 0.00 H new ATOM 0 HA LEU A 69 49.895 45.077 26.020 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.359 47.308 25.055 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.878 47.906 25.694 1.00 0.00 H new ATOM 0 HG LEU A 69 50.837 45.500 23.957 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.139 47.079 21.964 1.00 0.00 H new ATOM 0 HD12 LEU A 69 49.551 47.297 22.739 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.865 48.454 23.060 1.00 0.00 H new ATOM 0 HD21 LEU A 69 53.031 46.355 23.148 1.00 0.00 H new ATOM 0 HD22 LEU A 69 52.868 47.751 24.240 1.00 0.00 H new ATOM 0 HD23 LEU A 69 53.008 46.108 24.910 1.00 0.00 H new ATOM 1115 N VAL A 70 52.093 44.385 26.752 1.00 0.00 N ATOM 1116 CA VAL A 70 53.379 43.829 27.119 1.00 0.00 C ATOM 1117 C VAL A 70 54.094 43.397 25.836 1.00 0.00 C ATOM 1118 O VAL A 70 53.453 42.916 24.905 1.00 0.00 O ATOM 1119 CB VAL A 70 53.212 42.674 28.101 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.556 42.164 28.615 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.401 43.072 29.331 1.00 0.00 C ATOM 0 H VAL A 70 51.517 43.722 26.233 1.00 0.00 H new ATOM 0 HA VAL A 70 53.985 44.577 27.630 1.00 0.00 H new ATOM 0 HB VAL A 70 52.693 41.900 27.536 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.391 41.342 29.311 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.157 41.814 27.776 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.081 42.972 29.125 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.310 42.216 30.000 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.905 43.887 29.851 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.408 43.398 29.022 1.00 0.00 H new ATOM 1131 N LEU A 71 55.411 43.568 25.762 1.00 0.00 N ATOM 1132 CA LEU A 71 56.198 43.165 24.614 1.00 0.00 C ATOM 1133 C LEU A 71 56.802 41.772 24.806 1.00 0.00 C ATOM 1134 O LEU A 71 57.169 41.401 25.919 1.00 0.00 O ATOM 1135 CB LEU A 71 57.243 44.225 24.274 1.00 0.00 C ATOM 1136 CG LEU A 71 56.675 45.577 23.856 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.816 46.571 23.655 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.890 45.510 22.549 1.00 0.00 C ATOM 0 H LEU A 71 55.961 43.995 26.507 1.00 0.00 H new ATOM 0 HA LEU A 71 55.534 43.088 23.753 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.887 44.370 25.141 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.873 43.848 23.469 1.00 0.00 H new ATOM 0 HG LEU A 71 55.999 45.889 24.653 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.409 47.537 23.356 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.369 46.683 24.587 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.486 46.204 22.878 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.510 46.501 22.302 1.00 0.00 H new ATOM 0 HD22 LEU A 71 56.544 45.162 21.749 1.00 0.00 H new ATOM 0 HD23 LEU A 71 55.055 44.819 22.661 1.00 0.00 H new ATOM 1150 N ARG A 72 56.945 41.007 23.729 1.00 0.00 N ATOM 1151 CA ARG A 72 57.591 39.710 23.694 1.00 0.00 C ATOM 1152 C ARG A 72 58.707 39.716 22.648 1.00 0.00 C ATOM 1153 O ARG A 72 58.463 39.489 21.465 1.00 0.00 O ATOM 1154 CB ARG A 72 56.547 38.617 23.486 1.00 0.00 C ATOM 1155 CG ARG A 72 56.926 37.248 24.041 1.00 0.00 C ATOM 1156 CD ARG A 72 58.149 36.574 23.424 1.00 0.00 C ATOM 1157 NE ARG A 72 57.961 36.237 22.013 1.00 0.00 N ATOM 1158 CZ ARG A 72 58.068 35.032 21.437 1.00 0.00 C ATOM 1159 NH1 ARG A 72 58.321 33.914 22.130 1.00 0.00 N ATOM 1160 NH2 ARG A 72 57.920 34.924 20.110 1.00 0.00 N ATOM 0 H ARG A 72 56.595 41.293 22.815 1.00 0.00 H new ATOM 0 HA ARG A 72 58.071 39.491 24.648 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.613 38.935 23.950 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.354 38.518 22.418 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.098 37.351 25.112 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.072 36.582 23.918 1.00 0.00 H new ATOM 0 HD2 ARG A 72 59.010 37.234 23.523 1.00 0.00 H new ATOM 0 HD3 ARG A 72 58.378 35.666 23.982 1.00 0.00 H new ATOM 0 HE ARG A 72 57.720 37.011 21.394 1.00 0.00 H new ATOM 0 HH11 ARG A 72 58.441 33.957 23.142 1.00 0.00 H new ATOM 0 HH12 ARG A 72 58.393 33.019 21.646 1.00 0.00 H new ATOM 0 HH21 ARG A 72 57.728 35.754 19.549 1.00 0.00 H new ATOM 0 HH22 ARG A 72 57.999 34.012 19.661 1.00 0.00 H new ATOM 1174 N LEU A 73 59.927 40.007 23.091 1.00 0.00 N ATOM 1175 CA LEU A 73 61.124 40.076 22.278 1.00 0.00 C ATOM 1176 C LEU A 73 61.742 38.681 22.159 1.00 0.00 C ATOM 1177 O LEU A 73 61.974 38.022 23.170 1.00 0.00 O ATOM 1178 CB LEU A 73 62.099 41.079 22.888 1.00 0.00 C ATOM 1179 CG LEU A 73 61.866 42.566 22.644 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.010 42.956 21.176 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.509 43.070 23.130 1.00 0.00 C ATOM 0 H LEU A 73 60.110 40.210 24.074 1.00 0.00 H new ATOM 0 HA LEU A 73 60.878 40.419 21.273 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.108 40.918 23.966 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.096 40.836 22.521 1.00 0.00 H new ATOM 0 HG LEU A 73 62.649 43.041 23.235 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.833 44.026 21.065 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.017 42.717 20.833 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.283 42.404 20.580 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.420 44.136 22.920 1.00 0.00 H new ATOM 0 HD22 LEU A 73 59.715 42.531 22.614 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.422 42.903 24.204 1.00 0.00 H new ATOM 1193 N ARG A 74 61.989 38.221 20.936 1.00 0.00 N ATOM 1194 CA ARG A 74 62.434 36.875 20.636 1.00 0.00 C ATOM 1195 C ARG A 74 63.858 36.596 21.122 1.00 0.00 C ATOM 1196 O ARG A 74 64.068 35.623 21.842 1.00 0.00 O ATOM 1197 CB ARG A 74 62.311 36.620 19.136 1.00 0.00 C ATOM 1198 CG ARG A 74 60.857 36.485 18.690 1.00 0.00 C ATOM 1199 CD ARG A 74 60.778 36.386 17.169 1.00 0.00 C ATOM 1200 NE ARG A 74 59.405 36.132 16.732 1.00 0.00 N ATOM 1201 CZ ARG A 74 58.827 34.932 16.583 1.00 0.00 C ATOM 1202 NH1 ARG A 74 59.430 33.765 16.846 1.00 0.00 N ATOM 1203 NH2 ARG A 74 57.556 34.840 16.164 1.00 0.00 N ATOM 0 H ARG A 74 61.879 38.799 20.103 1.00 0.00 H new ATOM 0 HA ARG A 74 61.789 36.186 21.181 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.782 37.438 18.591 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.854 35.711 18.878 1.00 0.00 H new ATOM 0 HG2 ARG A 74 60.411 35.599 19.143 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.282 37.344 19.036 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.141 37.311 16.721 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.429 35.585 16.819 1.00 0.00 H new ATOM 0 HE ARG A 74 58.831 36.948 16.520 1.00 0.00 H new ATOM 0 HH11 ARG A 74 60.392 33.753 17.184 1.00 0.00 H new ATOM 0 HH12 ARG A 74 58.927 32.889 16.709 1.00 0.00 H new ATOM 0 HH21 ARG A 74 57.025 35.686 15.957 1.00 0.00 H new ATOM 0 HH22 ARG A 74 57.121 33.924 16.052 1.00 0.00 H new ATOM 1217 N GLY A 75 64.809 37.468 20.801 1.00 0.00 N ATOM 1218 CA GLY A 75 66.150 37.449 21.349 1.00 0.00 C ATOM 1219 C GLY A 75 66.149 37.874 22.819 1.00 0.00 C ATOM 1220 O GLY A 75 66.746 37.192 23.650 1.00 0.00 O ATOM 0 H GLY A 75 64.658 38.225 20.134 1.00 0.00 H new ATOM 0 HA2 GLY A 75 66.570 36.447 21.257 1.00 0.00 H new ATOM 0 HA3 GLY A 75 66.791 38.117 20.774 1.00 0.00 H new ATOM 1224 N GLY A 76 65.409 38.934 23.131 1.00 0.00 N ATOM 1225 CA GLY A 76 65.283 39.522 24.450 1.00 0.00 C ATOM 1226 C GLY A 76 66.512 40.317 24.893 1.00 0.00 C ATOM 1227 O GLY A 76 67.143 40.962 24.028 1.00 0.00 O ATOM 1228 OXT GLY A 76 66.815 40.298 26.106 1.00 0.00 O ATOM 0 H GLY A 76 64.855 39.427 22.431 1.00 0.00 H new ATOM 0 HA2 GLY A 76 64.413 40.179 24.463 1.00 0.00 H new ATOM 0 HA3 GLY A 76 65.095 38.729 25.174 1.00 0.00 H new TER 1232 GLY A 76