USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 522 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 Single : A 1 MET CE :methyl 128:sc= -0.156 (180deg=-0.765) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.803 (180deg=0.296) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 7 GLN : amide:sc= -0.0434 X(o=-0.043,f=-0.043) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 90:sc= -0.0905 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -42:sc= 0.645 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 80:sc= 0.0933 USER MOD Single : A 33 ASN : amide:sc= -0.507 X(o=-0.51,f=-0.015) USER MOD Single : A 45 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.32) USER MOD Single : A 47 THR OG1 : rot -160:sc= -0.672 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0433 K(o=-0.043,f=-0.65) USER MOD Single : A 70 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.498 -6.197 -6.084 1.00 71.51 N ATOM 2 CA MET A 1 5.500 -5.143 -6.193 1.00 73.31 C ATOM 3 C MET A 1 6.809 -5.568 -5.536 1.00 43.21 C ATOM 4 O MET A 1 7.435 -4.790 -4.816 1.00 23.02 O ATOM 5 CB MET A 1 4.987 -3.854 -5.548 1.00 74.24 C ATOM 6 CG MET A 1 3.981 -3.104 -6.407 1.00 3.22 C ATOM 7 SD MET A 1 2.319 -3.793 -6.293 1.00 21.24 S ATOM 8 CE MET A 1 1.907 -3.405 -4.593 1.00 44.43 C ATOM 0 H1 MET A 1 3.547 -5.775 -6.099 1.00 71.51 H new ATOM 0 H2 MET A 1 4.598 -6.855 -6.883 1.00 71.51 H new ATOM 0 H3 MET A 1 4.633 -6.714 -5.192 1.00 71.51 H new ATOM 0 HA MET A 1 5.687 -4.962 -7.251 1.00 73.31 H new ATOM 0 HB2 MET A 1 4.526 -4.095 -4.590 1.00 74.24 H new ATOM 0 HB3 MET A 1 5.833 -3.200 -5.339 1.00 74.24 H new ATOM 0 HG2 MET A 1 3.958 -2.058 -6.102 1.00 3.22 H new ATOM 0 HG3 MET A 1 4.309 -3.126 -7.446 1.00 3.22 H new ATOM 0 HE1 MET A 1 0.947 -2.890 -4.560 1.00 44.43 H new ATOM 0 HE2 MET A 1 1.844 -4.327 -4.014 1.00 44.43 H new ATOM 0 HE3 MET A 1 2.679 -2.762 -4.169 1.00 44.43 H new ATOM 18 N LYS A 2 7.218 -6.807 -5.789 1.00 4.53 N ATOM 19 CA LYS A 2 8.454 -7.335 -5.223 1.00 70.01 C ATOM 20 C LYS A 2 9.494 -7.571 -6.313 1.00 44.44 C ATOM 21 O LYS A 2 9.156 -7.918 -7.445 1.00 54.55 O ATOM 22 CB LYS A 2 8.179 -8.641 -4.475 1.00 72.52 C ATOM 23 CG LYS A 2 7.595 -9.734 -5.354 1.00 62.20 C ATOM 24 CD LYS A 2 6.622 -10.610 -4.583 1.00 25.34 C ATOM 25 CE LYS A 2 6.616 -12.036 -5.112 1.00 22.21 C ATOM 26 NZ LYS A 2 5.669 -12.904 -4.358 1.00 42.50 N ATOM 0 H LYS A 2 6.712 -7.464 -6.382 1.00 4.53 H new ATOM 0 HA LYS A 2 8.848 -6.598 -4.523 1.00 70.01 H new ATOM 0 HB2 LYS A 2 9.109 -9.000 -4.033 1.00 72.52 H new ATOM 0 HB3 LYS A 2 7.492 -8.441 -3.653 1.00 72.52 H new ATOM 0 HG2 LYS A 2 7.084 -9.284 -6.205 1.00 62.20 H new ATOM 0 HG3 LYS A 2 8.401 -10.349 -5.755 1.00 62.20 H new ATOM 0 HD2 LYS A 2 6.892 -10.614 -3.527 1.00 25.34 H new ATOM 0 HD3 LYS A 2 5.618 -10.190 -4.654 1.00 25.34 H new ATOM 0 HE2 LYS A 2 6.342 -12.031 -6.167 1.00 22.21 H new ATOM 0 HE3 LYS A 2 7.621 -12.452 -5.046 1.00 22.21 H new ATOM 0 HZ1 LYS A 2 5.695 -13.867 -4.749 1.00 42.50 H new ATOM 0 HZ2 LYS A 2 5.945 -12.930 -3.356 1.00 42.50 H new ATOM 0 HZ3 LYS A 2 4.706 -12.522 -4.442 1.00 42.50 H new ATOM 40 N THR A 3 10.763 -7.381 -5.965 1.00 64.22 N ATOM 41 CA THR A 3 11.853 -7.573 -6.914 1.00 21.42 C ATOM 42 C THR A 3 13.001 -8.352 -6.282 1.00 70.40 C ATOM 43 O THR A 3 13.083 -8.475 -5.060 1.00 11.23 O ATOM 44 CB THR A 3 12.388 -6.226 -7.436 1.00 33.34 C ATOM 45 OG1 THR A 3 13.454 -6.449 -8.365 1.00 75.45 O ATOM 46 CG2 THR A 3 12.883 -5.359 -6.288 1.00 34.33 C ATOM 0 H THR A 3 11.061 -7.094 -5.033 1.00 64.22 H new ATOM 0 HA THR A 3 11.447 -8.143 -7.750 1.00 21.42 H new ATOM 0 HB THR A 3 11.572 -5.706 -7.938 1.00 33.34 H new ATOM 0 HG1 THR A 3 13.787 -5.588 -8.693 1.00 75.45 H new ATOM 0 HG21 THR A 3 13.256 -4.413 -6.681 1.00 34.33 H new ATOM 0 HG22 THR A 3 12.062 -5.166 -5.597 1.00 34.33 H new ATOM 0 HG23 THR A 3 13.686 -5.875 -5.762 1.00 34.33 H new ATOM 54 N PHE A 4 13.887 -8.877 -7.122 1.00 74.42 N ATOM 55 CA PHE A 4 15.031 -9.646 -6.645 1.00 52.54 C ATOM 56 C PHE A 4 16.109 -8.723 -6.085 1.00 24.24 C ATOM 57 O PHE A 4 16.214 -7.562 -6.478 1.00 14.35 O ATOM 58 CB PHE A 4 15.609 -10.495 -7.778 1.00 64.55 C ATOM 59 CG PHE A 4 14.566 -11.239 -8.563 1.00 4.02 C ATOM 60 CD1 PHE A 4 13.589 -11.977 -7.915 1.00 54.30 C ATOM 61 CD2 PHE A 4 14.563 -11.200 -9.948 1.00 3.22 C ATOM 62 CE1 PHE A 4 12.628 -12.662 -8.634 1.00 62.35 C ATOM 63 CE2 PHE A 4 13.605 -11.883 -10.673 1.00 21.23 C ATOM 64 CZ PHE A 4 12.636 -12.615 -10.015 1.00 14.51 C ATOM 0 H PHE A 4 13.835 -8.784 -8.136 1.00 74.42 H new ATOM 0 HA PHE A 4 14.689 -10.304 -5.846 1.00 52.54 H new ATOM 0 HB2 PHE A 4 16.170 -9.850 -8.455 1.00 64.55 H new ATOM 0 HB3 PHE A 4 16.317 -11.211 -7.360 1.00 64.55 H new ATOM 0 HD1 PHE A 4 13.578 -12.017 -6.836 1.00 54.30 H new ATOM 0 HD2 PHE A 4 15.318 -10.629 -10.467 1.00 3.22 H new ATOM 0 HE1 PHE A 4 11.871 -13.234 -8.117 1.00 62.35 H new ATOM 0 HE2 PHE A 4 13.614 -11.844 -11.752 1.00 21.23 H new ATOM 0 HZ PHE A 4 11.886 -13.150 -10.579 1.00 14.51 H new ATOM 74 N ALA A 5 16.909 -9.250 -5.163 1.00 42.21 N ATOM 75 CA ALA A 5 17.981 -8.476 -4.549 1.00 15.42 C ATOM 76 C ALA A 5 19.341 -9.108 -4.822 1.00 20.14 C ATOM 77 O ALA A 5 19.660 -10.173 -4.291 1.00 74.11 O ATOM 78 CB ALA A 5 17.747 -8.347 -3.051 1.00 31.22 C ATOM 0 H ALA A 5 16.835 -10.210 -4.825 1.00 42.21 H new ATOM 0 HA ALA A 5 17.977 -7.481 -4.993 1.00 15.42 H new ATOM 0 HB1 ALA A 5 18.555 -7.767 -2.605 1.00 31.22 H new ATOM 0 HB2 ALA A 5 16.797 -7.843 -2.873 1.00 31.22 H new ATOM 0 HB3 ALA A 5 17.721 -9.339 -2.600 1.00 31.22 H new ATOM 84 N LEU A 6 20.140 -8.447 -5.652 1.00 54.10 N ATOM 85 CA LEU A 6 21.467 -8.945 -5.996 1.00 71.12 C ATOM 86 C LEU A 6 22.537 -8.285 -5.133 1.00 1.30 C ATOM 87 O LEU A 6 22.227 -7.509 -4.229 1.00 51.04 O ATOM 88 CB LEU A 6 21.761 -8.691 -7.476 1.00 34.32 C ATOM 89 CG LEU A 6 20.857 -9.416 -8.474 1.00 34.15 C ATOM 90 CD1 LEU A 6 19.620 -8.584 -8.776 1.00 10.04 C ATOM 91 CD2 LEU A 6 21.618 -9.728 -9.754 1.00 34.02 C ATOM 0 H LEU A 6 19.892 -7.565 -6.099 1.00 54.10 H new ATOM 0 HA LEU A 6 21.485 -10.018 -5.807 1.00 71.12 H new ATOM 0 HB2 LEU A 6 21.688 -7.619 -7.662 1.00 34.32 H new ATOM 0 HB3 LEU A 6 22.793 -8.979 -7.675 1.00 34.32 H new ATOM 0 HG LEU A 6 20.536 -10.357 -8.027 1.00 34.15 H new ATOM 0 HD11 LEU A 6 18.989 -9.116 -9.488 1.00 10.04 H new ATOM 0 HD12 LEU A 6 19.063 -8.412 -7.855 1.00 10.04 H new ATOM 0 HD13 LEU A 6 19.920 -7.627 -9.202 1.00 10.04 H new ATOM 0 HD21 LEU A 6 20.959 -10.244 -10.452 1.00 34.02 H new ATOM 0 HD22 LEU A 6 21.969 -8.799 -10.204 1.00 34.02 H new ATOM 0 HD23 LEU A 6 22.472 -10.365 -9.523 1.00 34.02 H new ATOM 103 N GLN A 7 23.797 -8.597 -5.420 1.00 11.34 N ATOM 104 CA GLN A 7 24.913 -8.032 -4.670 1.00 13.10 C ATOM 105 C GLN A 7 24.814 -6.511 -4.610 1.00 62.12 C ATOM 106 O GLN A 7 24.762 -5.841 -5.641 1.00 35.51 O ATOM 107 CB GLN A 7 26.242 -8.444 -5.305 1.00 71.10 C ATOM 108 CG GLN A 7 27.386 -8.545 -4.310 1.00 4.43 C ATOM 109 CD GLN A 7 27.295 -9.781 -3.438 1.00 32.51 C ATOM 110 OE1 GLN A 7 27.373 -10.908 -3.929 1.00 23.15 O ATOM 111 NE2 GLN A 7 27.128 -9.578 -2.136 1.00 52.34 N ATOM 0 H GLN A 7 24.070 -9.237 -6.166 1.00 11.34 H new ATOM 0 HA GLN A 7 24.869 -8.421 -3.653 1.00 13.10 H new ATOM 0 HB2 GLN A 7 26.116 -9.407 -5.800 1.00 71.10 H new ATOM 0 HB3 GLN A 7 26.506 -7.721 -6.077 1.00 71.10 H new ATOM 0 HG2 GLN A 7 28.332 -8.556 -4.851 1.00 4.43 H new ATOM 0 HG3 GLN A 7 27.391 -7.658 -3.677 1.00 4.43 H new ATOM 0 HE21 GLN A 7 27.068 -8.627 -1.772 1.00 52.34 H new ATOM 0 HE22 GLN A 7 27.059 -10.373 -1.501 1.00 52.34 H new ATOM 120 N GLY A 8 24.789 -5.972 -3.395 1.00 42.31 N ATOM 121 CA GLY A 8 24.696 -4.534 -3.224 1.00 4.34 C ATOM 122 C GLY A 8 23.349 -3.985 -3.649 1.00 42.35 C ATOM 123 O GLY A 8 23.208 -2.786 -3.890 1.00 51.33 O ATOM 0 H GLY A 8 24.831 -6.505 -2.527 1.00 42.31 H new ATOM 0 HA2 GLY A 8 24.873 -4.284 -2.178 1.00 4.34 H new ATOM 0 HA3 GLY A 8 25.481 -4.051 -3.805 1.00 4.34 H new ATOM 127 N ASP A 9 22.357 -4.863 -3.744 1.00 64.42 N ATOM 128 CA ASP A 9 21.014 -4.460 -4.145 1.00 24.32 C ATOM 129 C ASP A 9 19.987 -4.872 -3.095 1.00 25.04 C ATOM 130 O ASP A 9 18.813 -5.076 -3.404 1.00 41.54 O ATOM 131 CB ASP A 9 20.655 -5.078 -5.497 1.00 24.40 C ATOM 132 CG ASP A 9 21.260 -4.317 -6.660 1.00 72.04 C ATOM 133 OD1 ASP A 9 22.479 -4.051 -6.625 1.00 41.13 O ATOM 134 OD2 ASP A 9 20.513 -3.987 -7.606 1.00 2.54 O ATOM 0 H ASP A 9 22.457 -5.859 -3.549 1.00 64.42 H new ATOM 0 HA ASP A 9 20.999 -3.374 -4.236 1.00 24.32 H new ATOM 0 HB2 ASP A 9 21.000 -6.112 -5.524 1.00 24.40 H new ATOM 0 HB3 ASP A 9 19.571 -5.101 -5.606 1.00 24.40 H new ATOM 139 N THR A 10 20.438 -4.994 -1.850 1.00 31.43 N ATOM 140 CA THR A 10 19.560 -5.384 -0.754 1.00 34.01 C ATOM 141 C THR A 10 18.580 -4.267 -0.411 1.00 23.45 C ATOM 142 O THR A 10 18.573 -3.215 -1.051 1.00 23.12 O ATOM 143 CB THR A 10 20.364 -5.752 0.507 1.00 11.12 C ATOM 144 OG1 THR A 10 20.786 -4.562 1.183 1.00 30.33 O ATOM 145 CG2 THR A 10 21.578 -6.595 0.148 1.00 41.12 C ATOM 0 H THR A 10 21.406 -4.828 -1.576 1.00 31.43 H new ATOM 0 HA THR A 10 19.005 -6.260 -1.090 1.00 34.01 H new ATOM 0 HB THR A 10 19.719 -6.334 1.165 1.00 11.12 H new ATOM 0 HG1 THR A 10 21.295 -4.804 1.985 1.00 30.33 H new ATOM 0 HG21 THR A 10 22.130 -6.842 1.055 1.00 41.12 H new ATOM 0 HG22 THR A 10 21.252 -7.513 -0.340 1.00 41.12 H new ATOM 0 HG23 THR A 10 22.223 -6.034 -0.528 1.00 41.12 H new ATOM 153 N LEU A 11 17.755 -4.502 0.604 1.00 50.04 N ATOM 154 CA LEU A 11 16.771 -3.515 1.033 1.00 12.52 C ATOM 155 C LEU A 11 17.421 -2.149 1.233 1.00 73.14 C ATOM 156 O LEU A 11 16.885 -1.127 0.804 1.00 50.03 O ATOM 157 CB LEU A 11 16.099 -3.967 2.331 1.00 53.42 C ATOM 158 CG LEU A 11 15.309 -5.274 2.258 1.00 53.25 C ATOM 159 CD1 LEU A 11 15.474 -6.070 3.542 1.00 23.25 C ATOM 160 CD2 LEU A 11 13.838 -4.993 1.987 1.00 34.54 C ATOM 0 H LEU A 11 17.748 -5.367 1.145 1.00 50.04 H new ATOM 0 HA LEU A 11 16.016 -3.427 0.251 1.00 12.52 H new ATOM 0 HB2 LEU A 11 16.867 -4.073 3.097 1.00 53.42 H new ATOM 0 HB3 LEU A 11 15.425 -3.177 2.662 1.00 53.42 H new ATOM 0 HG LEU A 11 15.703 -5.869 1.434 1.00 53.25 H new ATOM 0 HD11 LEU A 11 14.905 -6.997 3.471 1.00 23.25 H new ATOM 0 HD12 LEU A 11 16.528 -6.302 3.693 1.00 23.25 H new ATOM 0 HD13 LEU A 11 15.108 -5.483 4.384 1.00 23.25 H new ATOM 0 HD21 LEU A 11 13.291 -5.934 1.938 1.00 34.54 H new ATOM 0 HD22 LEU A 11 13.431 -4.378 2.790 1.00 34.54 H new ATOM 0 HD23 LEU A 11 13.737 -4.465 1.039 1.00 34.54 H new ATOM 172 N ASP A 12 18.578 -2.140 1.884 1.00 24.20 N ATOM 173 CA ASP A 12 19.304 -0.901 2.137 1.00 13.34 C ATOM 174 C ASP A 12 19.527 -0.127 0.842 1.00 62.33 C ATOM 175 O ASP A 12 19.530 1.103 0.834 1.00 11.35 O ATOM 176 CB ASP A 12 20.646 -1.198 2.806 1.00 25.25 C ATOM 177 CG ASP A 12 21.604 -0.025 2.730 1.00 32.13 C ATOM 178 OD1 ASP A 12 21.367 0.980 3.432 1.00 53.10 O ATOM 179 OD2 ASP A 12 22.590 -0.112 1.968 1.00 14.23 O ATOM 0 H ASP A 12 19.034 -2.977 2.247 1.00 24.20 H new ATOM 0 HA ASP A 12 18.702 -0.287 2.807 1.00 13.34 H new ATOM 0 HB2 ASP A 12 20.478 -1.459 3.851 1.00 25.25 H new ATOM 0 HB3 ASP A 12 21.101 -2.067 2.330 1.00 25.25 H new ATOM 184 N ALA A 13 19.715 -0.858 -0.253 1.00 3.35 N ATOM 185 CA ALA A 13 19.939 -0.240 -1.554 1.00 32.41 C ATOM 186 C ALA A 13 18.618 0.048 -2.259 1.00 13.43 C ATOM 187 O ALA A 13 18.330 1.192 -2.614 1.00 63.32 O ATOM 188 CB ALA A 13 20.816 -1.134 -2.418 1.00 71.03 C ATOM 0 H ALA A 13 19.717 -1.878 -0.264 1.00 3.35 H new ATOM 0 HA ALA A 13 20.451 0.709 -1.395 1.00 32.41 H new ATOM 0 HB1 ALA A 13 20.975 -0.661 -3.387 1.00 71.03 H new ATOM 0 HB2 ALA A 13 21.777 -1.286 -1.926 1.00 71.03 H new ATOM 0 HB3 ALA A 13 20.325 -2.097 -2.561 1.00 71.03 H new ATOM 194 N ILE A 14 17.818 -0.994 -2.458 1.00 25.31 N ATOM 195 CA ILE A 14 16.528 -0.851 -3.120 1.00 32.30 C ATOM 196 C ILE A 14 15.717 0.284 -2.505 1.00 3.51 C ATOM 197 O ILE A 14 15.200 1.147 -3.216 1.00 2.34 O ATOM 198 CB ILE A 14 15.708 -2.153 -3.042 1.00 50.31 C ATOM 199 CG1 ILE A 14 16.456 -3.295 -3.733 1.00 51.55 C ATOM 200 CG2 ILE A 14 14.337 -1.953 -3.671 1.00 31.34 C ATOM 201 CD1 ILE A 14 15.948 -4.668 -3.353 1.00 0.53 C ATOM 0 H ILE A 14 18.041 -1.947 -2.170 1.00 25.31 H new ATOM 0 HA ILE A 14 16.734 -0.622 -4.166 1.00 32.30 H new ATOM 0 HB ILE A 14 15.570 -2.417 -1.993 1.00 50.31 H new ATOM 0 HG12 ILE A 14 16.373 -3.172 -4.813 1.00 51.55 H new ATOM 0 HG13 ILE A 14 17.515 -3.227 -3.485 1.00 51.55 H new ATOM 0 HG21 ILE A 14 13.769 -2.881 -3.609 1.00 31.34 H new ATOM 0 HG22 ILE A 14 13.804 -1.165 -3.139 1.00 31.34 H new ATOM 0 HG23 ILE A 14 14.454 -1.669 -4.717 1.00 31.34 H new ATOM 0 HD11 ILE A 14 16.524 -5.428 -3.880 1.00 0.53 H new ATOM 0 HD12 ILE A 14 16.057 -4.811 -2.278 1.00 0.53 H new ATOM 0 HD13 ILE A 14 14.896 -4.755 -3.626 1.00 0.53 H new ATOM 213 N CYS A 15 15.612 0.279 -1.181 1.00 1.12 N ATOM 214 CA CYS A 15 14.865 1.310 -0.469 1.00 21.01 C ATOM 215 C CYS A 15 15.347 2.702 -0.864 1.00 65.24 C ATOM 216 O CYS A 15 14.552 3.633 -0.992 1.00 4.00 O ATOM 217 CB CYS A 15 15.005 1.119 1.042 1.00 32.30 C ATOM 218 SG CYS A 15 14.054 -0.270 1.701 1.00 34.43 S ATOM 0 H CYS A 15 16.035 -0.427 -0.579 1.00 1.12 H new ATOM 0 HA CYS A 15 13.814 1.217 -0.744 1.00 21.01 H new ATOM 0 HB2 CYS A 15 16.058 0.972 1.283 1.00 32.30 H new ATOM 0 HB3 CYS A 15 14.688 2.033 1.544 1.00 32.30 H new ATOM 0 HG CYS A 15 14.782 -1.346 1.674 1.00 34.43 H new ATOM 224 N VAL A 16 16.656 2.837 -1.056 1.00 30.14 N ATOM 225 CA VAL A 16 17.245 4.115 -1.436 1.00 1.21 C ATOM 226 C VAL A 16 17.058 4.385 -2.925 1.00 1.34 C ATOM 227 O VAL A 16 17.141 5.529 -3.374 1.00 20.44 O ATOM 228 CB VAL A 16 18.748 4.162 -1.102 1.00 11.25 C ATOM 229 CG1 VAL A 16 19.346 5.498 -1.516 1.00 14.35 C ATOM 230 CG2 VAL A 16 18.972 3.905 0.381 1.00 53.10 C ATOM 0 H VAL A 16 17.328 2.077 -0.954 1.00 30.14 H new ATOM 0 HA VAL A 16 16.729 4.885 -0.862 1.00 1.21 H new ATOM 0 HB VAL A 16 19.252 3.376 -1.664 1.00 11.25 H new ATOM 0 HG11 VAL A 16 20.408 5.512 -1.272 1.00 14.35 H new ATOM 0 HG12 VAL A 16 19.218 5.637 -2.590 1.00 14.35 H new ATOM 0 HG13 VAL A 16 18.841 6.304 -0.983 1.00 14.35 H new ATOM 0 HG21 VAL A 16 20.039 3.942 0.600 1.00 53.10 H new ATOM 0 HG22 VAL A 16 18.456 4.667 0.964 1.00 53.10 H new ATOM 0 HG23 VAL A 16 18.582 2.922 0.643 1.00 53.10 H new ATOM 240 N ARG A 17 16.805 3.325 -3.685 1.00 40.44 N ATOM 241 CA ARG A 17 16.607 3.448 -5.125 1.00 32.24 C ATOM 242 C ARG A 17 15.156 3.794 -5.446 1.00 11.20 C ATOM 243 O ARG A 17 14.866 4.402 -6.477 1.00 32.21 O ATOM 244 CB ARG A 17 16.999 2.147 -5.827 1.00 44.05 C ATOM 245 CG ARG A 17 18.465 1.781 -5.657 1.00 52.12 C ATOM 246 CD ARG A 17 19.061 1.252 -6.952 1.00 41.33 C ATOM 247 NE ARG A 17 20.508 1.444 -7.007 1.00 71.11 N ATOM 248 CZ ARG A 17 21.085 2.601 -7.311 1.00 11.35 C ATOM 249 NH1 ARG A 17 20.342 3.665 -7.585 1.00 32.44 N ATOM 250 NH2 ARG A 17 22.408 2.697 -7.340 1.00 21.22 N ATOM 0 H ARG A 17 16.732 2.372 -3.329 1.00 40.44 H new ATOM 0 HA ARG A 17 17.244 4.255 -5.487 1.00 32.24 H new ATOM 0 HB2 ARG A 17 16.383 1.335 -5.440 1.00 44.05 H new ATOM 0 HB3 ARG A 17 16.776 2.236 -6.890 1.00 44.05 H new ATOM 0 HG2 ARG A 17 19.024 2.657 -5.329 1.00 52.12 H new ATOM 0 HG3 ARG A 17 18.565 1.028 -4.875 1.00 52.12 H new ATOM 0 HD2 ARG A 17 18.832 0.191 -7.049 1.00 41.33 H new ATOM 0 HD3 ARG A 17 18.596 1.757 -7.798 1.00 41.33 H new ATOM 0 HE ARG A 17 21.108 0.646 -6.801 1.00 71.11 H new ATOM 0 HH11 ARG A 17 19.325 3.596 -7.563 1.00 32.44 H new ATOM 0 HH12 ARG A 17 20.788 4.552 -7.818 1.00 32.44 H new ATOM 0 HH21 ARG A 17 22.983 1.882 -7.129 1.00 21.22 H new ATOM 0 HH22 ARG A 17 22.850 3.586 -7.574 1.00 21.22 H new ATOM 264 N TYR A 18 14.249 3.403 -4.557 1.00 42.45 N ATOM 265 CA TYR A 18 12.828 3.670 -4.748 1.00 23.33 C ATOM 266 C TYR A 18 12.347 4.761 -3.797 1.00 54.51 C ATOM 267 O TYR A 18 11.905 5.826 -4.229 1.00 51.43 O ATOM 268 CB TYR A 18 12.015 2.393 -4.530 1.00 30.24 C ATOM 269 CG TYR A 18 12.052 1.443 -5.706 1.00 14.33 C ATOM 270 CD1 TYR A 18 13.113 0.563 -5.880 1.00 53.22 C ATOM 271 CD2 TYR A 18 11.026 1.427 -6.643 1.00 21.31 C ATOM 272 CE1 TYR A 18 13.151 -0.306 -6.954 1.00 11.34 C ATOM 273 CE2 TYR A 18 11.055 0.560 -7.718 1.00 42.44 C ATOM 274 CZ TYR A 18 12.120 -0.304 -7.870 1.00 13.34 C ATOM 275 OH TYR A 18 12.153 -1.167 -8.940 1.00 61.34 O ATOM 0 H TYR A 18 14.472 2.901 -3.698 1.00 42.45 H new ATOM 0 HA TYR A 18 12.683 4.015 -5.772 1.00 23.33 H new ATOM 0 HB2 TYR A 18 12.392 1.879 -3.646 1.00 30.24 H new ATOM 0 HB3 TYR A 18 10.979 2.663 -4.324 1.00 30.24 H new ATOM 0 HD1 TYR A 18 13.922 0.558 -5.164 1.00 53.22 H new ATOM 0 HD2 TYR A 18 10.192 2.104 -6.529 1.00 21.31 H new ATOM 0 HE1 TYR A 18 13.984 -0.983 -7.075 1.00 11.34 H new ATOM 0 HE2 TYR A 18 10.248 0.558 -8.436 1.00 42.44 H new ATOM 0 HH TYR A 18 11.351 -1.039 -9.489 1.00 61.34 H new ATOM 285 N TYR A 19 12.436 4.489 -2.500 1.00 72.21 N ATOM 286 CA TYR A 19 12.008 5.446 -1.487 1.00 30.23 C ATOM 287 C TYR A 19 12.997 6.602 -1.377 1.00 25.22 C ATOM 288 O TYR A 19 12.612 7.741 -1.118 1.00 44.34 O ATOM 289 CB TYR A 19 11.863 4.753 -0.130 1.00 53.55 C ATOM 290 CG TYR A 19 11.053 3.478 -0.186 1.00 21.35 C ATOM 291 CD1 TYR A 19 9.726 3.491 -0.597 1.00 21.32 C ATOM 292 CD2 TYR A 19 11.616 2.259 0.173 1.00 32.20 C ATOM 293 CE1 TYR A 19 8.983 2.328 -0.648 1.00 33.52 C ATOM 294 CE2 TYR A 19 10.880 1.090 0.124 1.00 43.43 C ATOM 295 CZ TYR A 19 9.564 1.130 -0.287 1.00 22.01 C ATOM 296 OH TYR A 19 8.827 -0.031 -0.338 1.00 23.13 O ATOM 0 H TYR A 19 12.801 3.613 -2.125 1.00 72.21 H new ATOM 0 HA TYR A 19 11.040 5.847 -1.788 1.00 30.23 H new ATOM 0 HB2 TYR A 19 12.855 4.527 0.261 1.00 53.55 H new ATOM 0 HB3 TYR A 19 11.393 5.442 0.572 1.00 53.55 H new ATOM 0 HD1 TYR A 19 9.268 4.427 -0.881 1.00 21.32 H new ATOM 0 HD2 TYR A 19 12.646 2.225 0.496 1.00 32.20 H new ATOM 0 HE1 TYR A 19 7.952 2.356 -0.969 1.00 33.52 H new ATOM 0 HE2 TYR A 19 11.333 0.151 0.406 1.00 43.43 H new ATOM 0 HH TYR A 19 7.928 0.136 0.015 1.00 23.13 H new ATOM 306 N GLY A 20 14.277 6.298 -1.576 1.00 13.31 N ATOM 307 CA GLY A 20 15.303 7.321 -1.496 1.00 11.42 C ATOM 308 C GLY A 20 15.845 7.490 -0.090 1.00 54.43 C ATOM 309 O GLY A 20 16.603 8.421 0.182 1.00 64.10 O ATOM 0 H GLY A 20 14.621 5.362 -1.791 1.00 13.31 H new ATOM 0 HA2 GLY A 20 16.121 7.064 -2.169 1.00 11.42 H new ATOM 0 HA3 GLY A 20 14.893 8.270 -1.841 1.00 11.42 H new ATOM 313 N ARG A 21 15.453 6.590 0.805 1.00 23.23 N ATOM 314 CA ARG A 21 15.902 6.645 2.191 1.00 5.42 C ATOM 315 C ARG A 21 15.612 5.331 2.910 1.00 64.01 C ATOM 316 O ARG A 21 14.995 4.426 2.348 1.00 71.24 O ATOM 317 CB ARG A 21 15.220 7.801 2.925 1.00 41.52 C ATOM 318 CG ARG A 21 13.812 8.089 2.431 1.00 14.14 C ATOM 319 CD ARG A 21 12.942 6.842 2.470 1.00 64.05 C ATOM 320 NE ARG A 21 11.524 7.167 2.600 1.00 65.21 N ATOM 321 CZ ARG A 21 10.990 7.697 3.694 1.00 35.43 C ATOM 322 NH1 ARG A 21 11.751 7.960 4.747 1.00 13.33 N ATOM 323 NH2 ARG A 21 9.691 7.964 3.737 1.00 55.15 N ATOM 0 H ARG A 21 14.825 5.814 0.595 1.00 23.23 H new ATOM 0 HA ARG A 21 16.980 6.809 2.191 1.00 5.42 H new ATOM 0 HB2 ARG A 21 15.183 7.572 3.990 1.00 41.52 H new ATOM 0 HB3 ARG A 21 15.826 8.700 2.813 1.00 41.52 H new ATOM 0 HG2 ARG A 21 13.361 8.868 3.046 1.00 14.14 H new ATOM 0 HG3 ARG A 21 13.854 8.473 1.412 1.00 14.14 H new ATOM 0 HD2 ARG A 21 13.099 6.262 1.561 1.00 64.05 H new ATOM 0 HD3 ARG A 21 13.248 6.213 3.306 1.00 64.05 H new ATOM 0 HE ARG A 21 10.911 6.977 1.807 1.00 65.21 H new ATOM 0 HH11 ARG A 21 12.750 7.755 4.718 1.00 13.33 H new ATOM 0 HH12 ARG A 21 11.338 8.367 5.586 1.00 13.33 H new ATOM 0 HH21 ARG A 21 9.102 7.762 2.929 1.00 55.15 H new ATOM 0 HH22 ARG A 21 9.282 8.371 4.578 1.00 55.15 H new ATOM 337 N THR A 22 16.063 5.232 4.157 1.00 53.21 N ATOM 338 CA THR A 22 15.853 4.029 4.952 1.00 64.20 C ATOM 339 C THR A 22 15.285 4.369 6.325 1.00 72.12 C ATOM 340 O THR A 22 15.073 3.485 7.155 1.00 42.43 O ATOM 341 CB THR A 22 17.164 3.240 5.133 1.00 41.02 C ATOM 342 OG1 THR A 22 18.274 4.142 5.193 1.00 45.12 O ATOM 343 CG2 THR A 22 17.365 2.256 3.991 1.00 61.53 C ATOM 0 H THR A 22 16.576 5.971 4.638 1.00 53.21 H new ATOM 0 HA THR A 22 15.137 3.412 4.409 1.00 64.20 H new ATOM 0 HB THR A 22 17.100 2.681 6.066 1.00 41.02 H new ATOM 0 HG1 THR A 22 19.103 3.633 5.310 1.00 45.12 H new ATOM 0 HG21 THR A 22 18.297 1.711 4.140 1.00 61.53 H new ATOM 0 HG22 THR A 22 16.533 1.553 3.966 1.00 61.53 H new ATOM 0 HG23 THR A 22 17.410 2.799 3.047 1.00 61.53 H new ATOM 351 N GLU A 23 15.039 5.655 6.557 1.00 70.34 N ATOM 352 CA GLU A 23 14.494 6.110 7.830 1.00 5.13 C ATOM 353 C GLU A 23 12.979 5.938 7.867 1.00 54.34 C ATOM 354 O GLU A 23 12.248 6.623 7.152 1.00 0.53 O ATOM 355 CB GLU A 23 14.858 7.577 8.071 1.00 64.32 C ATOM 356 CG GLU A 23 14.529 8.064 9.472 1.00 70.22 C ATOM 357 CD GLU A 23 15.438 9.188 9.927 1.00 4.43 C ATOM 358 OE1 GLU A 23 16.668 9.066 9.748 1.00 23.50 O ATOM 359 OE2 GLU A 23 14.921 10.191 10.463 1.00 31.40 O ATOM 0 H GLU A 23 15.209 6.399 5.880 1.00 70.34 H new ATOM 0 HA GLU A 23 14.930 5.500 8.621 1.00 5.13 H new ATOM 0 HB2 GLU A 23 15.924 7.712 7.890 1.00 64.32 H new ATOM 0 HB3 GLU A 23 14.330 8.197 7.347 1.00 64.32 H new ATOM 0 HG2 GLU A 23 13.494 8.405 9.500 1.00 70.22 H new ATOM 0 HG3 GLU A 23 14.610 7.231 10.170 1.00 70.22 H new ATOM 366 N GLY A 24 12.513 5.017 8.705 1.00 60.24 N ATOM 367 CA GLY A 24 11.087 4.770 8.819 1.00 45.25 C ATOM 368 C GLY A 24 10.587 3.776 7.789 1.00 10.15 C ATOM 369 O GLY A 24 9.440 3.332 7.851 1.00 43.23 O ATOM 0 H GLY A 24 13.098 4.437 9.307 1.00 60.24 H new ATOM 0 HA2 GLY A 24 10.865 4.396 9.818 1.00 45.25 H new ATOM 0 HA3 GLY A 24 10.548 5.710 8.704 1.00 45.25 H new ATOM 373 N VAL A 25 11.448 3.426 6.839 1.00 1.12 N ATOM 374 CA VAL A 25 11.087 2.479 5.792 1.00 61.54 C ATOM 375 C VAL A 25 11.567 1.072 6.133 1.00 2.51 C ATOM 376 O VAL A 25 10.801 0.111 6.071 1.00 20.10 O ATOM 377 CB VAL A 25 11.677 2.894 4.431 1.00 42.40 C ATOM 378 CG1 VAL A 25 11.129 2.013 3.319 1.00 21.32 C ATOM 379 CG2 VAL A 25 11.388 4.361 4.151 1.00 14.31 C ATOM 0 H VAL A 25 12.401 3.784 6.773 1.00 1.12 H new ATOM 0 HA VAL A 25 9.999 2.483 5.725 1.00 61.54 H new ATOM 0 HB VAL A 25 12.758 2.760 4.468 1.00 42.40 H new ATOM 0 HG11 VAL A 25 11.558 2.322 2.366 1.00 21.32 H new ATOM 0 HG12 VAL A 25 11.392 0.974 3.515 1.00 21.32 H new ATOM 0 HG13 VAL A 25 10.044 2.111 3.278 1.00 21.32 H new ATOM 0 HG21 VAL A 25 11.812 4.638 3.186 1.00 14.31 H new ATOM 0 HG22 VAL A 25 10.310 4.523 4.134 1.00 14.31 H new ATOM 0 HG23 VAL A 25 11.835 4.975 4.933 1.00 14.31 H new ATOM 389 N VAL A 26 12.841 0.960 6.495 1.00 64.33 N ATOM 390 CA VAL A 26 13.425 -0.329 6.848 1.00 34.02 C ATOM 391 C VAL A 26 12.625 -1.010 7.953 1.00 14.32 C ATOM 392 O VAL A 26 12.545 -2.236 8.009 1.00 73.31 O ATOM 393 CB VAL A 26 14.887 -0.176 7.308 1.00 72.44 C ATOM 394 CG1 VAL A 26 15.725 0.470 6.215 1.00 0.35 C ATOM 395 CG2 VAL A 26 14.959 0.631 8.595 1.00 52.01 C ATOM 0 H VAL A 26 13.489 1.746 6.552 1.00 64.33 H new ATOM 0 HA VAL A 26 13.397 -0.946 5.950 1.00 34.02 H new ATOM 0 HB VAL A 26 15.294 -1.168 7.506 1.00 72.44 H new ATOM 0 HG11 VAL A 26 16.755 0.570 6.557 1.00 0.35 H new ATOM 0 HG12 VAL A 26 15.699 -0.153 5.321 1.00 0.35 H new ATOM 0 HG13 VAL A 26 15.322 1.456 5.983 1.00 0.35 H new ATOM 0 HG21 VAL A 26 15.999 0.729 8.905 1.00 52.01 H new ATOM 0 HG22 VAL A 26 14.535 1.621 8.428 1.00 52.01 H new ATOM 0 HG23 VAL A 26 14.394 0.122 9.376 1.00 52.01 H new ATOM 405 N GLU A 27 12.034 -0.204 8.830 1.00 34.44 N ATOM 406 CA GLU A 27 11.240 -0.730 9.935 1.00 74.23 C ATOM 407 C GLU A 27 9.932 -1.332 9.427 1.00 43.42 C ATOM 408 O GLU A 27 9.354 -2.216 10.060 1.00 42.30 O ATOM 409 CB GLU A 27 10.944 0.375 10.951 1.00 24.32 C ATOM 410 CG GLU A 27 12.166 0.820 11.738 1.00 53.11 C ATOM 411 CD GLU A 27 11.860 1.952 12.699 1.00 55.41 C ATOM 412 OE1 GLU A 27 10.664 2.249 12.903 1.00 13.05 O ATOM 413 OE2 GLU A 27 12.815 2.542 13.246 1.00 72.21 O ATOM 0 H GLU A 27 12.090 0.814 8.797 1.00 34.44 H new ATOM 0 HA GLU A 27 11.818 -1.516 10.421 1.00 74.23 H new ATOM 0 HB2 GLU A 27 10.525 1.235 10.428 1.00 24.32 H new ATOM 0 HB3 GLU A 27 10.182 0.023 11.647 1.00 24.32 H new ATOM 0 HG2 GLU A 27 12.563 -0.028 12.296 1.00 53.11 H new ATOM 0 HG3 GLU A 27 12.944 1.138 11.044 1.00 53.11 H new ATOM 420 N THR A 28 9.471 -0.845 8.279 1.00 75.31 N ATOM 421 CA THR A 28 8.231 -1.332 7.686 1.00 64.21 C ATOM 422 C THR A 28 8.453 -2.651 6.954 1.00 43.22 C ATOM 423 O THR A 28 7.888 -3.680 7.323 1.00 71.21 O ATOM 424 CB THR A 28 7.638 -0.306 6.703 1.00 52.23 C ATOM 425 OG1 THR A 28 7.651 1.000 7.290 1.00 20.14 O ATOM 426 CG2 THR A 28 6.214 -0.682 6.322 1.00 12.21 C ATOM 0 H THR A 28 9.937 -0.114 7.742 1.00 75.31 H new ATOM 0 HA THR A 28 7.528 -1.488 8.505 1.00 64.21 H new ATOM 0 HB THR A 28 8.250 -0.304 5.801 1.00 52.23 H new ATOM 0 HG1 THR A 28 8.550 1.383 7.217 1.00 20.14 H new ATOM 0 HG21 THR A 28 5.816 0.057 5.627 1.00 12.21 H new ATOM 0 HG22 THR A 28 6.211 -1.664 5.848 1.00 12.21 H new ATOM 0 HG23 THR A 28 5.593 -0.709 7.217 1.00 12.21 H new ATOM 434 N VAL A 29 9.281 -2.613 5.914 1.00 75.20 N ATOM 435 CA VAL A 29 9.579 -3.806 5.131 1.00 73.23 C ATOM 436 C VAL A 29 10.016 -4.958 6.029 1.00 44.04 C ATOM 437 O VAL A 29 9.639 -6.110 5.808 1.00 45.31 O ATOM 438 CB VAL A 29 10.681 -3.534 4.090 1.00 0.51 C ATOM 439 CG1 VAL A 29 10.887 -4.749 3.199 1.00 53.22 C ATOM 440 CG2 VAL A 29 10.338 -2.306 3.260 1.00 12.54 C ATOM 0 H VAL A 29 9.757 -1.769 5.595 1.00 75.20 H new ATOM 0 HA VAL A 29 8.661 -4.082 4.613 1.00 73.23 H new ATOM 0 HB VAL A 29 11.614 -3.339 4.618 1.00 0.51 H new ATOM 0 HG11 VAL A 29 11.669 -4.537 2.470 1.00 53.22 H new ATOM 0 HG12 VAL A 29 11.181 -5.602 3.810 1.00 53.22 H new ATOM 0 HG13 VAL A 29 9.958 -4.979 2.677 1.00 53.22 H new ATOM 0 HG21 VAL A 29 11.127 -2.128 2.530 1.00 12.54 H new ATOM 0 HG22 VAL A 29 9.394 -2.470 2.741 1.00 12.54 H new ATOM 0 HG23 VAL A 29 10.247 -1.439 3.914 1.00 12.54 H new ATOM 450 N LEU A 30 10.814 -4.640 7.042 1.00 33.24 N ATOM 451 CA LEU A 30 11.303 -5.649 7.976 1.00 43.40 C ATOM 452 C LEU A 30 10.144 -6.394 8.630 1.00 1.52 C ATOM 453 O LEU A 30 10.184 -7.614 8.781 1.00 21.22 O ATOM 454 CB LEU A 30 12.176 -4.997 9.050 1.00 45.14 C ATOM 455 CG LEU A 30 13.656 -4.832 8.702 1.00 24.02 C ATOM 456 CD1 LEU A 30 14.387 -4.097 9.815 1.00 23.32 C ATOM 457 CD2 LEU A 30 14.298 -6.188 8.445 1.00 50.45 C ATOM 0 H LEU A 30 11.136 -3.692 7.238 1.00 33.24 H new ATOM 0 HA LEU A 30 11.902 -6.367 7.416 1.00 43.40 H new ATOM 0 HB2 LEU A 30 11.765 -4.013 9.277 1.00 45.14 H new ATOM 0 HB3 LEU A 30 12.101 -5.591 9.961 1.00 45.14 H new ATOM 0 HG LEU A 30 13.731 -4.238 7.791 1.00 24.02 H new ATOM 0 HD11 LEU A 30 15.439 -3.989 9.550 1.00 23.32 H new ATOM 0 HD12 LEU A 30 13.944 -3.111 9.952 1.00 23.32 H new ATOM 0 HD13 LEU A 30 14.303 -4.664 10.742 1.00 23.32 H new ATOM 0 HD21 LEU A 30 15.351 -6.051 8.199 1.00 50.45 H new ATOM 0 HD22 LEU A 30 14.212 -6.807 9.338 1.00 50.45 H new ATOM 0 HD23 LEU A 30 13.792 -6.679 7.614 1.00 50.45 H new ATOM 469 N ALA A 31 9.112 -5.650 9.015 1.00 74.34 N ATOM 470 CA ALA A 31 7.939 -6.241 9.648 1.00 3.24 C ATOM 471 C ALA A 31 7.092 -7.002 8.634 1.00 12.44 C ATOM 472 O ALA A 31 6.345 -7.911 8.994 1.00 70.33 O ATOM 473 CB ALA A 31 7.109 -5.163 10.330 1.00 22.44 C ATOM 0 H ALA A 31 9.064 -4.638 8.900 1.00 74.34 H new ATOM 0 HA ALA A 31 8.282 -6.951 10.400 1.00 3.24 H new ATOM 0 HB1 ALA A 31 6.236 -5.618 10.799 1.00 22.44 H new ATOM 0 HB2 ALA A 31 7.712 -4.666 11.090 1.00 22.44 H new ATOM 0 HB3 ALA A 31 6.784 -4.432 9.590 1.00 22.44 H new ATOM 479 N ALA A 32 7.212 -6.623 7.366 1.00 3.43 N ATOM 480 CA ALA A 32 6.458 -7.270 6.300 1.00 20.44 C ATOM 481 C ALA A 32 7.144 -8.553 5.844 1.00 63.33 C ATOM 482 O ALA A 32 6.492 -9.482 5.370 1.00 32.51 O ATOM 483 CB ALA A 32 6.279 -6.319 5.127 1.00 42.32 C ATOM 0 H ALA A 32 7.825 -5.871 7.052 1.00 3.43 H new ATOM 0 HA ALA A 32 5.476 -7.534 6.692 1.00 20.44 H new ATOM 0 HB1 ALA A 32 5.714 -6.816 4.338 1.00 42.32 H new ATOM 0 HB2 ALA A 32 5.738 -5.432 5.457 1.00 42.32 H new ATOM 0 HB3 ALA A 32 7.256 -6.026 4.744 1.00 42.32 H new ATOM 489 N ASN A 33 8.465 -8.596 5.989 1.00 73.52 N ATOM 490 CA ASN A 33 9.240 -9.766 5.590 1.00 54.34 C ATOM 491 C ASN A 33 10.044 -10.313 6.765 1.00 13.32 C ATOM 492 O ASN A 33 11.264 -10.164 6.838 1.00 73.14 O ATOM 493 CB ASN A 33 10.179 -9.411 4.436 1.00 44.15 C ATOM 494 CG ASN A 33 9.429 -8.975 3.192 1.00 51.11 C ATOM 495 OD1 ASN A 33 8.983 -9.805 2.400 1.00 55.11 O ATOM 496 ND2 ASN A 33 9.287 -7.666 3.015 1.00 30.41 N ATOM 0 H ASN A 33 9.021 -7.835 6.379 1.00 73.52 H new ATOM 0 HA ASN A 33 8.544 -10.537 5.260 1.00 54.34 H new ATOM 0 HB2 ASN A 33 10.851 -8.612 4.751 1.00 44.15 H new ATOM 0 HB3 ASN A 33 10.800 -10.274 4.198 1.00 44.15 H new ATOM 0 HD21 ASN A 33 8.792 -7.313 2.196 1.00 30.41 H new ATOM 0 HD22 ASN A 33 9.673 -7.014 3.698 1.00 30.41 H new ATOM 503 N PRO A 34 9.345 -10.962 7.709 1.00 44.33 N ATOM 504 CA PRO A 34 9.974 -11.545 8.898 1.00 73.23 C ATOM 505 C PRO A 34 10.835 -12.758 8.562 1.00 31.01 C ATOM 506 O PRO A 34 10.385 -13.683 7.888 1.00 62.43 O ATOM 507 CB PRO A 34 8.780 -11.959 9.762 1.00 25.43 C ATOM 508 CG PRO A 34 7.666 -12.168 8.795 1.00 24.05 C ATOM 509 CD PRO A 34 7.889 -11.176 7.687 1.00 32.32 C ATOM 0 HA PRO A 34 10.650 -10.844 9.388 1.00 73.23 H new ATOM 0 HB2 PRO A 34 8.994 -12.869 10.322 1.00 25.43 H new ATOM 0 HB3 PRO A 34 8.532 -11.187 10.491 1.00 25.43 H new ATOM 0 HG2 PRO A 34 7.668 -13.188 8.412 1.00 24.05 H new ATOM 0 HG3 PRO A 34 6.699 -12.009 9.273 1.00 24.05 H new ATOM 0 HD2 PRO A 34 7.555 -11.566 6.725 1.00 32.32 H new ATOM 0 HD3 PRO A 34 7.344 -10.249 7.862 1.00 32.32 H new ATOM 517 N GLY A 35 12.077 -12.747 9.038 1.00 55.31 N ATOM 518 CA GLY A 35 12.981 -13.852 8.778 1.00 53.41 C ATOM 519 C GLY A 35 14.135 -13.456 7.879 1.00 64.51 C ATOM 520 O GLY A 35 15.162 -14.136 7.839 1.00 20.13 O ATOM 0 H GLY A 35 12.473 -11.993 9.599 1.00 55.31 H new ATOM 0 HA2 GLY A 35 13.373 -14.227 9.723 1.00 53.41 H new ATOM 0 HA3 GLY A 35 12.428 -14.669 8.315 1.00 53.41 H new ATOM 524 N LEU A 36 13.969 -12.356 7.153 1.00 34.25 N ATOM 525 CA LEU A 36 15.005 -11.872 6.248 1.00 2.04 C ATOM 526 C LEU A 36 16.131 -11.194 7.023 1.00 53.52 C ATOM 527 O LEU A 36 17.308 -11.381 6.718 1.00 40.45 O ATOM 528 CB LEU A 36 14.408 -10.895 5.234 1.00 63.55 C ATOM 529 CG LEU A 36 15.144 -10.782 3.898 1.00 61.51 C ATOM 530 CD1 LEU A 36 16.548 -10.236 4.106 1.00 13.53 C ATOM 531 CD2 LEU A 36 15.194 -12.134 3.201 1.00 64.23 C ATOM 0 H LEU A 36 13.126 -11.782 7.174 1.00 34.25 H new ATOM 0 HA LEU A 36 15.419 -12.729 5.717 1.00 2.04 H new ATOM 0 HB2 LEU A 36 13.379 -11.193 5.035 1.00 63.55 H new ATOM 0 HB3 LEU A 36 14.371 -9.906 5.691 1.00 63.55 H new ATOM 0 HG LEU A 36 14.597 -10.087 3.261 1.00 61.51 H new ATOM 0 HD11 LEU A 36 17.056 -10.163 3.144 1.00 13.53 H new ATOM 0 HD12 LEU A 36 16.490 -9.248 4.562 1.00 13.53 H new ATOM 0 HD13 LEU A 36 17.106 -10.906 4.761 1.00 13.53 H new ATOM 0 HD21 LEU A 36 15.721 -12.035 2.252 1.00 64.23 H new ATOM 0 HD22 LEU A 36 15.718 -12.850 3.834 1.00 64.23 H new ATOM 0 HD23 LEU A 36 14.179 -12.486 3.017 1.00 64.23 H new ATOM 543 N ALA A 37 15.760 -10.407 8.028 1.00 50.44 N ATOM 544 CA ALA A 37 16.738 -9.704 8.849 1.00 42.14 C ATOM 545 C ALA A 37 17.691 -10.683 9.526 1.00 33.04 C ATOM 546 O ALA A 37 18.819 -10.330 9.867 1.00 41.42 O ATOM 547 CB ALA A 37 16.035 -8.844 9.888 1.00 55.11 C ATOM 0 H ALA A 37 14.789 -10.240 8.293 1.00 50.44 H new ATOM 0 HA ALA A 37 17.326 -9.058 8.197 1.00 42.14 H new ATOM 0 HB1 ALA A 37 16.778 -8.325 10.494 1.00 55.11 H new ATOM 0 HB2 ALA A 37 15.401 -8.113 9.386 1.00 55.11 H new ATOM 0 HB3 ALA A 37 15.422 -9.477 10.529 1.00 55.11 H new ATOM 553 N GLU A 38 17.228 -11.914 9.720 1.00 71.24 N ATOM 554 CA GLU A 38 18.040 -12.943 10.359 1.00 73.24 C ATOM 555 C GLU A 38 19.225 -13.327 9.477 1.00 54.01 C ATOM 556 O GLU A 38 20.253 -13.795 9.968 1.00 73.20 O ATOM 557 CB GLU A 38 17.191 -14.181 10.658 1.00 1.44 C ATOM 558 CG GLU A 38 15.884 -13.865 11.366 1.00 72.43 C ATOM 559 CD GLU A 38 16.076 -12.975 12.578 1.00 44.01 C ATOM 560 OE1 GLU A 38 16.452 -13.502 13.646 1.00 11.44 O ATOM 561 OE2 GLU A 38 15.852 -11.753 12.459 1.00 55.43 O ATOM 0 H GLU A 38 16.296 -12.223 9.444 1.00 71.24 H new ATOM 0 HA GLU A 38 18.423 -12.538 11.296 1.00 73.24 H new ATOM 0 HB2 GLU A 38 16.973 -14.696 9.723 1.00 1.44 H new ATOM 0 HB3 GLU A 38 17.771 -14.869 11.273 1.00 1.44 H new ATOM 0 HG2 GLU A 38 15.205 -13.378 10.666 1.00 72.43 H new ATOM 0 HG3 GLU A 38 15.409 -14.796 11.675 1.00 72.43 H new ATOM 568 N LEU A 39 19.073 -13.126 8.173 1.00 62.15 N ATOM 569 CA LEU A 39 20.130 -13.451 7.221 1.00 73.14 C ATOM 570 C LEU A 39 21.449 -12.805 7.630 1.00 4.02 C ATOM 571 O LEU A 39 22.472 -13.478 7.746 1.00 23.43 O ATOM 572 CB LEU A 39 19.737 -12.990 5.816 1.00 43.11 C ATOM 573 CG LEU A 39 20.431 -13.706 4.656 1.00 11.42 C ATOM 574 CD1 LEU A 39 21.926 -13.429 4.676 1.00 23.12 C ATOM 575 CD2 LEU A 39 20.163 -15.202 4.716 1.00 34.21 C ATOM 0 H LEU A 39 18.229 -12.740 7.750 1.00 62.15 H new ATOM 0 HA LEU A 39 20.263 -14.533 7.218 1.00 73.14 H new ATOM 0 HB2 LEU A 39 18.660 -13.115 5.702 1.00 43.11 H new ATOM 0 HB3 LEU A 39 19.944 -11.923 5.734 1.00 43.11 H new ATOM 0 HG LEU A 39 20.024 -13.322 3.721 1.00 11.42 H new ATOM 0 HD11 LEU A 39 22.403 -13.946 3.844 1.00 23.12 H new ATOM 0 HD12 LEU A 39 22.099 -12.357 4.584 1.00 23.12 H new ATOM 0 HD13 LEU A 39 22.349 -13.785 5.615 1.00 23.12 H new ATOM 0 HD21 LEU A 39 20.664 -15.695 3.883 1.00 34.21 H new ATOM 0 HD22 LEU A 39 20.542 -15.602 5.656 1.00 34.21 H new ATOM 0 HD23 LEU A 39 19.090 -15.382 4.652 1.00 34.21 H new ATOM 587 N GLY A 40 21.418 -11.494 7.850 1.00 54.11 N ATOM 588 CA GLY A 40 22.617 -10.779 8.246 1.00 14.04 C ATOM 589 C GLY A 40 22.612 -9.336 7.782 1.00 73.23 C ATOM 590 O GLY A 40 21.723 -8.565 8.140 1.00 14.32 O ATOM 0 H GLY A 40 20.583 -10.914 7.761 1.00 54.11 H new ATOM 0 HA2 GLY A 40 22.712 -10.808 9.332 1.00 14.04 H new ATOM 0 HA3 GLY A 40 23.491 -11.286 7.836 1.00 14.04 H new ATOM 594 N ALA A 41 23.608 -8.970 6.982 1.00 24.24 N ATOM 595 CA ALA A 41 23.715 -7.611 6.468 1.00 42.40 C ATOM 596 C ALA A 41 23.364 -7.556 4.985 1.00 2.51 C ATOM 597 O ALA A 41 22.778 -6.582 4.511 1.00 31.22 O ATOM 598 CB ALA A 41 25.117 -7.067 6.701 1.00 10.31 C ATOM 0 H ALA A 41 24.353 -9.596 6.676 1.00 24.24 H new ATOM 0 HA ALA A 41 23.001 -6.988 7.007 1.00 42.40 H new ATOM 0 HB1 ALA A 41 25.182 -6.051 6.312 1.00 10.31 H new ATOM 0 HB2 ALA A 41 25.332 -7.061 7.770 1.00 10.31 H new ATOM 0 HB3 ALA A 41 25.842 -7.699 6.189 1.00 10.31 H new ATOM 604 N VAL A 42 23.727 -8.606 4.256 1.00 23.33 N ATOM 605 CA VAL A 42 23.450 -8.678 2.827 1.00 42.44 C ATOM 606 C VAL A 42 22.721 -9.969 2.472 1.00 44.22 C ATOM 607 O VAL A 42 22.870 -10.986 3.151 1.00 45.42 O ATOM 608 CB VAL A 42 24.746 -8.588 1.999 1.00 71.23 C ATOM 609 CG1 VAL A 42 25.487 -9.917 2.021 1.00 55.44 C ATOM 610 CG2 VAL A 42 24.437 -8.164 0.571 1.00 61.12 C ATOM 0 H VAL A 42 24.214 -9.419 4.632 1.00 23.33 H new ATOM 0 HA VAL A 42 22.813 -7.827 2.585 1.00 42.44 H new ATOM 0 HB VAL A 42 25.391 -7.832 2.447 1.00 71.23 H new ATOM 0 HG11 VAL A 42 26.400 -9.834 1.431 1.00 55.44 H new ATOM 0 HG12 VAL A 42 25.742 -10.175 3.049 1.00 55.44 H new ATOM 0 HG13 VAL A 42 24.851 -10.695 1.599 1.00 55.44 H new ATOM 0 HG21 VAL A 42 25.364 -8.105 0.000 1.00 61.12 H new ATOM 0 HG22 VAL A 42 23.773 -8.895 0.110 1.00 61.12 H new ATOM 0 HG23 VAL A 42 23.953 -7.187 0.578 1.00 61.12 H new ATOM 620 N LEU A 43 21.933 -9.922 1.404 1.00 71.13 N ATOM 621 CA LEU A 43 21.180 -11.089 0.957 1.00 60.01 C ATOM 622 C LEU A 43 21.714 -11.604 -0.376 1.00 24.44 C ATOM 623 O LEU A 43 22.343 -10.876 -1.144 1.00 24.14 O ATOM 624 CB LEU A 43 19.696 -10.743 0.825 1.00 51.13 C ATOM 625 CG LEU A 43 19.357 -9.253 0.765 1.00 72.11 C ATOM 626 CD1 LEU A 43 18.037 -9.035 0.041 1.00 3.40 C ATOM 627 CD2 LEU A 43 19.303 -8.662 2.166 1.00 51.30 C ATOM 0 H LEU A 43 21.799 -9.089 0.831 1.00 71.13 H new ATOM 0 HA LEU A 43 21.299 -11.875 1.703 1.00 60.01 H new ATOM 0 HB2 LEU A 43 19.311 -11.219 -0.077 1.00 51.13 H new ATOM 0 HB3 LEU A 43 19.165 -11.182 1.669 1.00 51.13 H new ATOM 0 HG LEU A 43 20.142 -8.743 0.207 1.00 72.11 H new ATOM 0 HD11 LEU A 43 17.812 -7.969 0.008 1.00 3.40 H new ATOM 0 HD12 LEU A 43 18.111 -9.422 -0.975 1.00 3.40 H new ATOM 0 HD13 LEU A 43 17.241 -9.558 0.571 1.00 3.40 H new ATOM 0 HD21 LEU A 43 19.061 -7.601 2.104 1.00 51.30 H new ATOM 0 HD22 LEU A 43 18.538 -9.176 2.748 1.00 51.30 H new ATOM 0 HD23 LEU A 43 20.272 -8.785 2.650 1.00 51.30 H new ATOM 639 N PRO A 44 21.457 -12.890 -0.659 1.00 45.11 N ATOM 640 CA PRO A 44 21.901 -13.531 -1.901 1.00 4.25 C ATOM 641 C PRO A 44 21.152 -13.010 -3.122 1.00 11.30 C ATOM 642 O PRO A 44 20.106 -12.371 -2.996 1.00 24.33 O ATOM 643 CB PRO A 44 21.584 -15.010 -1.669 1.00 72.22 C ATOM 644 CG PRO A 44 20.474 -15.009 -0.675 1.00 44.40 C ATOM 645 CD PRO A 44 20.713 -13.817 0.210 1.00 3.32 C ATOM 0 HA PRO A 44 22.953 -13.334 -2.108 1.00 4.25 H new ATOM 0 HB2 PRO A 44 21.285 -15.501 -2.595 1.00 72.22 H new ATOM 0 HB3 PRO A 44 22.454 -15.547 -1.290 1.00 72.22 H new ATOM 0 HG2 PRO A 44 19.506 -14.939 -1.171 1.00 44.40 H new ATOM 0 HG3 PRO A 44 20.469 -15.932 -0.094 1.00 44.40 H new ATOM 0 HD2 PRO A 44 19.777 -13.379 0.556 1.00 3.32 H new ATOM 0 HD3 PRO A 44 21.287 -14.084 1.097 1.00 3.32 H new ATOM 653 N HIS A 45 21.692 -13.286 -4.305 1.00 22.24 N ATOM 654 CA HIS A 45 21.073 -12.846 -5.550 1.00 1.12 C ATOM 655 C HIS A 45 19.848 -13.694 -5.877 1.00 71.10 C ATOM 656 O HIS A 45 19.907 -14.923 -5.854 1.00 41.32 O ATOM 657 CB HIS A 45 22.080 -12.919 -6.698 1.00 51.22 C ATOM 658 CG HIS A 45 22.537 -14.311 -7.006 1.00 60.34 C ATOM 659 ND1 HIS A 45 23.665 -14.874 -6.448 1.00 20.24 N ATOM 660 CD2 HIS A 45 22.010 -15.256 -7.820 1.00 23.42 C ATOM 661 CE1 HIS A 45 23.813 -16.105 -6.905 1.00 43.52 C ATOM 662 NE2 HIS A 45 22.822 -16.361 -7.739 1.00 71.23 N ATOM 0 H HIS A 45 22.557 -13.812 -4.427 1.00 22.24 H new ATOM 0 HA HIS A 45 20.753 -11.812 -5.423 1.00 1.12 H new ATOM 0 HB2 HIS A 45 21.631 -12.487 -7.592 1.00 51.22 H new ATOM 0 HB3 HIS A 45 22.947 -12.307 -6.449 1.00 51.22 H new ATOM 0 HD2 HIS A 45 21.118 -15.159 -8.421 1.00 23.42 H new ATOM 0 HE1 HIS A 45 24.609 -16.786 -6.641 1.00 43.52 H new ATOM 0 HE2 HIS A 45 22.682 -17.237 -8.242 1.00 71.23 H new ATOM 670 N GLY A 46 18.737 -13.029 -6.181 1.00 3.03 N ATOM 671 CA GLY A 46 17.514 -13.738 -6.507 1.00 52.12 C ATOM 672 C GLY A 46 16.449 -13.578 -5.440 1.00 71.24 C ATOM 673 O GLY A 46 15.261 -13.764 -5.705 1.00 14.00 O ATOM 0 H GLY A 46 18.663 -12.012 -6.207 1.00 3.03 H new ATOM 0 HA2 GLY A 46 17.128 -13.372 -7.459 1.00 52.12 H new ATOM 0 HA3 GLY A 46 17.736 -14.797 -6.639 1.00 52.12 H new ATOM 677 N THR A 47 16.874 -13.234 -4.229 1.00 21.04 N ATOM 678 CA THR A 47 15.949 -13.052 -3.117 1.00 61.21 C ATOM 679 C THR A 47 14.894 -12.002 -3.446 1.00 20.31 C ATOM 680 O THR A 47 15.203 -10.819 -3.580 1.00 42.20 O ATOM 681 CB THR A 47 16.690 -12.635 -1.833 1.00 14.34 C ATOM 682 OG1 THR A 47 17.633 -13.645 -1.461 1.00 24.33 O ATOM 683 CG2 THR A 47 15.709 -12.406 -0.693 1.00 14.24 C ATOM 0 H THR A 47 17.854 -13.076 -3.993 1.00 21.04 H new ATOM 0 HA THR A 47 15.462 -14.013 -2.950 1.00 61.21 H new ATOM 0 HB THR A 47 17.217 -11.702 -2.031 1.00 14.34 H new ATOM 0 HG1 THR A 47 17.864 -13.544 -0.514 1.00 24.33 H new ATOM 0 HG21 THR A 47 16.255 -12.112 0.203 1.00 14.24 H new ATOM 0 HG22 THR A 47 15.010 -11.616 -0.967 1.00 14.24 H new ATOM 0 HG23 THR A 47 15.158 -13.326 -0.497 1.00 14.24 H new ATOM 691 N ALA A 48 13.647 -12.443 -3.574 1.00 31.30 N ATOM 692 CA ALA A 48 12.545 -11.540 -3.884 1.00 64.54 C ATOM 693 C ALA A 48 11.982 -10.906 -2.617 1.00 50.14 C ATOM 694 O ALA A 48 11.450 -11.597 -1.748 1.00 62.14 O ATOM 695 CB ALA A 48 11.451 -12.282 -4.637 1.00 71.41 C ATOM 0 H ALA A 48 13.374 -13.420 -3.468 1.00 31.30 H new ATOM 0 HA ALA A 48 12.929 -10.741 -4.518 1.00 64.54 H new ATOM 0 HB1 ALA A 48 10.635 -11.596 -4.862 1.00 71.41 H new ATOM 0 HB2 ALA A 48 11.856 -12.681 -5.567 1.00 71.41 H new ATOM 0 HB3 ALA A 48 11.078 -13.101 -4.022 1.00 71.41 H new ATOM 701 N VAL A 49 12.103 -9.586 -2.518 1.00 54.21 N ATOM 702 CA VAL A 49 11.605 -8.858 -1.357 1.00 52.11 C ATOM 703 C VAL A 49 10.392 -8.009 -1.720 1.00 15.25 C ATOM 704 O VAL A 49 10.303 -7.475 -2.825 1.00 25.23 O ATOM 705 CB VAL A 49 12.693 -7.948 -0.756 1.00 31.51 C ATOM 706 CG1 VAL A 49 12.227 -7.362 0.568 1.00 42.42 C ATOM 707 CG2 VAL A 49 13.993 -8.719 -0.579 1.00 54.11 C ATOM 0 H VAL A 49 12.542 -8.999 -3.228 1.00 54.21 H new ATOM 0 HA VAL A 49 11.315 -9.603 -0.616 1.00 52.11 H new ATOM 0 HB VAL A 49 12.876 -7.124 -1.446 1.00 31.51 H new ATOM 0 HG11 VAL A 49 13.008 -6.722 0.978 1.00 42.42 H new ATOM 0 HG12 VAL A 49 11.323 -6.774 0.408 1.00 42.42 H new ATOM 0 HG13 VAL A 49 12.015 -8.170 1.269 1.00 42.42 H new ATOM 0 HG21 VAL A 49 14.751 -8.061 -0.153 1.00 54.11 H new ATOM 0 HG22 VAL A 49 13.827 -9.563 0.091 1.00 54.11 H new ATOM 0 HG23 VAL A 49 14.333 -9.086 -1.547 1.00 54.11 H new ATOM 717 N GLU A 50 9.458 -7.888 -0.780 1.00 65.22 N ATOM 718 CA GLU A 50 8.250 -7.104 -1.002 1.00 15.43 C ATOM 719 C GLU A 50 8.490 -5.631 -0.680 1.00 33.54 C ATOM 720 O GLU A 50 9.275 -5.299 0.209 1.00 1.40 O ATOM 721 CB GLU A 50 7.101 -7.643 -0.147 1.00 31.21 C ATOM 722 CG GLU A 50 5.871 -6.751 -0.147 1.00 31.10 C ATOM 723 CD GLU A 50 4.675 -7.406 0.517 1.00 3.11 C ATOM 724 OE1 GLU A 50 4.368 -8.567 0.176 1.00 65.21 O ATOM 725 OE2 GLU A 50 4.047 -6.756 1.379 1.00 75.22 O ATOM 0 H GLU A 50 9.516 -8.323 0.141 1.00 65.22 H new ATOM 0 HA GLU A 50 7.981 -7.189 -2.055 1.00 15.43 H new ATOM 0 HB2 GLU A 50 6.822 -8.632 -0.510 1.00 31.21 H new ATOM 0 HB3 GLU A 50 7.450 -7.767 0.878 1.00 31.21 H new ATOM 0 HG2 GLU A 50 6.103 -5.819 0.369 1.00 31.10 H new ATOM 0 HG3 GLU A 50 5.615 -6.492 -1.174 1.00 31.10 H new ATOM 732 N LEU A 51 7.809 -4.754 -1.408 1.00 53.02 N ATOM 733 CA LEU A 51 7.947 -3.317 -1.201 1.00 43.55 C ATOM 734 C LEU A 51 6.613 -2.692 -0.806 1.00 21.15 C ATOM 735 O LEU A 51 5.804 -2.310 -1.651 1.00 15.14 O ATOM 736 CB LEU A 51 8.480 -2.648 -2.470 1.00 53.02 C ATOM 737 CG LEU A 51 9.930 -2.964 -2.838 1.00 32.44 C ATOM 738 CD1 LEU A 51 10.248 -2.462 -4.237 1.00 53.43 C ATOM 739 CD2 LEU A 51 10.883 -2.354 -1.820 1.00 61.34 C ATOM 0 H LEU A 51 7.155 -5.013 -2.147 1.00 53.02 H new ATOM 0 HA LEU A 51 8.656 -3.159 -0.388 1.00 43.55 H new ATOM 0 HB2 LEU A 51 7.843 -2.939 -3.305 1.00 53.02 H new ATOM 0 HB3 LEU A 51 8.382 -1.568 -2.356 1.00 53.02 H new ATOM 0 HG LEU A 51 10.060 -4.046 -2.825 1.00 32.44 H new ATOM 0 HD11 LEU A 51 11.284 -2.696 -4.481 1.00 53.43 H new ATOM 0 HD12 LEU A 51 9.588 -2.946 -4.956 1.00 53.43 H new ATOM 0 HD13 LEU A 51 10.100 -1.383 -4.279 1.00 53.43 H new ATOM 0 HD21 LEU A 51 11.911 -2.589 -2.097 1.00 61.34 H new ATOM 0 HD22 LEU A 51 10.751 -1.272 -1.800 1.00 61.34 H new ATOM 0 HD23 LEU A 51 10.671 -2.764 -0.832 1.00 61.34 H new ATOM 751 N PRO A 52 6.378 -2.583 0.510 1.00 33.55 N ATOM 752 CA PRO A 52 5.144 -2.003 1.049 1.00 72.23 C ATOM 753 C PRO A 52 5.058 -0.500 0.810 1.00 41.43 C ATOM 754 O PRO A 52 6.078 0.173 0.657 1.00 13.41 O ATOM 755 CB PRO A 52 5.235 -2.302 2.547 1.00 24.11 C ATOM 756 CG PRO A 52 6.695 -2.430 2.819 1.00 15.35 C ATOM 757 CD PRO A 52 7.298 -3.018 1.574 1.00 22.34 C ATOM 0 HA PRO A 52 4.256 -2.418 0.571 1.00 72.23 H new ATOM 0 HB2 PRO A 52 4.791 -1.501 3.138 1.00 24.11 H new ATOM 0 HB3 PRO A 52 4.703 -3.219 2.801 1.00 24.11 H new ATOM 0 HG2 PRO A 52 7.136 -1.459 3.045 1.00 15.35 H new ATOM 0 HG3 PRO A 52 6.877 -3.072 3.681 1.00 15.35 H new ATOM 0 HD2 PRO A 52 8.310 -2.650 1.405 1.00 22.34 H new ATOM 0 HD3 PRO A 52 7.360 -4.105 1.632 1.00 22.34 H new ATOM 765 N ASP A 53 3.836 0.021 0.779 1.00 44.01 N ATOM 766 CA ASP A 53 3.618 1.446 0.560 1.00 12.20 C ATOM 767 C ASP A 53 4.113 1.866 -0.820 1.00 44.32 C ATOM 768 O ASP A 53 4.655 2.959 -0.991 1.00 73.31 O ATOM 769 CB ASP A 53 4.326 2.264 1.641 1.00 41.42 C ATOM 770 CG ASP A 53 3.710 3.637 1.825 1.00 53.22 C ATOM 771 OD1 ASP A 53 2.465 3.737 1.799 1.00 24.54 O ATOM 772 OD2 ASP A 53 4.472 4.612 1.993 1.00 12.43 O ATOM 0 H ASP A 53 2.982 -0.522 0.903 1.00 44.01 H new ATOM 0 HA ASP A 53 2.546 1.637 0.615 1.00 12.20 H new ATOM 0 HB2 ASP A 53 4.288 1.722 2.586 1.00 41.42 H new ATOM 0 HB3 ASP A 53 5.378 2.373 1.379 1.00 41.42 H new ATOM 777 N VAL A 54 3.926 0.991 -1.803 1.00 33.34 N ATOM 778 CA VAL A 54 4.354 1.270 -3.168 1.00 55.41 C ATOM 779 C VAL A 54 3.202 1.096 -4.152 1.00 33.05 C ATOM 780 O VAL A 54 2.356 0.218 -3.982 1.00 64.21 O ATOM 781 CB VAL A 54 5.518 0.355 -3.590 1.00 73.43 C ATOM 782 CG1 VAL A 54 5.935 0.647 -5.024 1.00 14.04 C ATOM 783 CG2 VAL A 54 6.695 0.517 -2.640 1.00 55.32 C ATOM 0 H VAL A 54 3.480 0.082 -1.679 1.00 33.34 H new ATOM 0 HA VAL A 54 4.691 2.306 -3.188 1.00 55.41 H new ATOM 0 HB VAL A 54 5.180 -0.680 -3.539 1.00 73.43 H new ATOM 0 HG11 VAL A 54 6.759 -0.009 -5.304 1.00 14.04 H new ATOM 0 HG12 VAL A 54 5.090 0.474 -5.691 1.00 14.04 H new ATOM 0 HG13 VAL A 54 6.255 1.686 -5.106 1.00 14.04 H new ATOM 0 HG21 VAL A 54 7.508 -0.137 -2.954 1.00 55.32 H new ATOM 0 HG22 VAL A 54 7.035 1.552 -2.656 1.00 55.32 H new ATOM 0 HG23 VAL A 54 6.386 0.252 -1.629 1.00 55.32 H new ATOM 793 N GLN A 55 3.176 1.938 -5.179 1.00 52.14 N ATOM 794 CA GLN A 55 2.127 1.877 -6.190 1.00 71.34 C ATOM 795 C GLN A 55 2.724 1.738 -7.587 1.00 22.32 C ATOM 796 O GLN A 55 3.638 2.475 -7.960 1.00 32.33 O ATOM 797 CB GLN A 55 1.248 3.127 -6.121 1.00 23.13 C ATOM 798 CG GLN A 55 2.004 4.418 -6.391 1.00 24.33 C ATOM 799 CD GLN A 55 1.295 5.637 -5.835 1.00 71.24 C ATOM 800 OE1 GLN A 55 1.126 5.773 -4.623 1.00 63.22 O ATOM 801 NE2 GLN A 55 0.875 6.532 -6.721 1.00 54.33 N ATOM 0 H GLN A 55 3.869 2.670 -5.333 1.00 52.14 H new ATOM 0 HA GLN A 55 1.514 0.999 -5.987 1.00 71.34 H new ATOM 0 HB2 GLN A 55 0.438 3.032 -6.844 1.00 23.13 H new ATOM 0 HB3 GLN A 55 0.789 3.184 -5.134 1.00 23.13 H new ATOM 0 HG2 GLN A 55 3.000 4.350 -5.952 1.00 24.33 H new ATOM 0 HG3 GLN A 55 2.137 4.539 -7.466 1.00 24.33 H new ATOM 0 HE21 GLN A 55 1.036 6.379 -7.716 1.00 54.33 H new ATOM 0 HE22 GLN A 55 0.391 7.373 -6.406 1.00 54.33 H new ATOM 810 N THR A 56 2.203 0.787 -8.356 1.00 53.34 N ATOM 811 CA THR A 56 2.685 0.550 -9.711 1.00 42.41 C ATOM 812 C THR A 56 2.695 1.840 -10.525 1.00 21.45 C ATOM 813 O THR A 56 2.074 2.831 -10.142 1.00 23.22 O ATOM 814 CB THR A 56 1.822 -0.496 -10.440 1.00 33.51 C ATOM 815 OG1 THR A 56 0.449 -0.089 -10.435 1.00 1.41 O ATOM 816 CG2 THR A 56 1.953 -1.861 -9.780 1.00 1.32 C ATOM 0 H THR A 56 1.447 0.168 -8.063 1.00 53.34 H new ATOM 0 HA THR A 56 3.703 0.171 -9.622 1.00 42.41 H new ATOM 0 HB THR A 56 2.175 -0.571 -11.469 1.00 33.51 H new ATOM 0 HG1 THR A 56 -0.093 -0.759 -10.902 1.00 1.41 H new ATOM 0 HG21 THR A 56 1.334 -2.583 -10.312 1.00 1.32 H new ATOM 0 HG22 THR A 56 2.994 -2.182 -9.811 1.00 1.32 H new ATOM 0 HG23 THR A 56 1.624 -1.797 -8.743 1.00 1.32 H new ATOM 824 N ALA A 57 3.403 1.819 -11.649 1.00 22.20 N ATOM 825 CA ALA A 57 3.491 2.986 -12.518 1.00 23.21 C ATOM 826 C ALA A 57 2.819 2.722 -13.861 1.00 13.31 C ATOM 827 O ALA A 57 2.606 1.578 -14.262 1.00 21.10 O ATOM 828 CB ALA A 57 4.946 3.383 -12.723 1.00 33.23 C ATOM 0 H ALA A 57 3.924 1.007 -11.979 1.00 22.20 H new ATOM 0 HA ALA A 57 2.966 3.809 -12.034 1.00 23.21 H new ATOM 0 HB1 ALA A 57 4.997 4.256 -13.374 1.00 33.23 H new ATOM 0 HB2 ALA A 57 5.397 3.622 -11.760 1.00 33.23 H new ATOM 0 HB3 ALA A 57 5.488 2.556 -13.182 1.00 33.23 H new ATOM 834 N PRO A 58 2.474 3.805 -14.574 1.00 2.14 N ATOM 835 CA PRO A 58 1.820 3.716 -15.883 1.00 2.05 C ATOM 836 C PRO A 58 2.755 3.182 -16.962 1.00 72.44 C ATOM 837 O PRO A 58 3.329 3.948 -17.736 1.00 10.33 O ATOM 838 CB PRO A 58 1.429 5.165 -16.183 1.00 42.10 C ATOM 839 CG PRO A 58 2.394 5.988 -15.401 1.00 63.22 C ATOM 840 CD PRO A 58 2.697 5.200 -14.157 1.00 22.31 C ATOM 0 HA PRO A 58 0.976 3.026 -15.872 1.00 2.05 H new ATOM 0 HB2 PRO A 58 1.498 5.381 -17.249 1.00 42.10 H new ATOM 0 HB3 PRO A 58 0.401 5.368 -15.882 1.00 42.10 H new ATOM 0 HG2 PRO A 58 3.302 6.176 -15.975 1.00 63.22 H new ATOM 0 HG3 PRO A 58 1.967 6.960 -15.153 1.00 63.22 H new ATOM 0 HD2 PRO A 58 3.721 5.360 -13.820 1.00 22.31 H new ATOM 0 HD3 PRO A 58 2.042 5.483 -13.333 1.00 22.31 H new ATOM 848 N VAL A 59 2.903 1.861 -17.010 1.00 51.41 N ATOM 849 CA VAL A 59 3.767 1.224 -17.997 1.00 12.23 C ATOM 850 C VAL A 59 2.951 0.430 -19.010 1.00 51.05 C ATOM 851 O VAL A 59 1.908 -0.132 -18.679 1.00 34.20 O ATOM 852 CB VAL A 59 4.787 0.285 -17.326 1.00 72.22 C ATOM 853 CG1 VAL A 59 4.076 -0.861 -16.623 1.00 33.20 C ATOM 854 CG2 VAL A 59 5.780 -0.242 -18.351 1.00 53.24 C ATOM 0 H VAL A 59 2.436 1.212 -16.377 1.00 51.41 H new ATOM 0 HA VAL A 59 4.302 2.022 -18.512 1.00 12.23 H new ATOM 0 HB VAL A 59 5.339 0.853 -16.577 1.00 72.22 H new ATOM 0 HG11 VAL A 59 4.813 -1.514 -16.155 1.00 33.20 H new ATOM 0 HG12 VAL A 59 3.408 -0.461 -15.860 1.00 33.20 H new ATOM 0 HG13 VAL A 59 3.497 -1.430 -17.350 1.00 33.20 H new ATOM 0 HG21 VAL A 59 6.493 -0.904 -17.860 1.00 53.24 H new ATOM 0 HG22 VAL A 59 5.246 -0.794 -19.124 1.00 53.24 H new ATOM 0 HG23 VAL A 59 6.313 0.594 -18.804 1.00 53.24 H new ATOM 864 N ALA A 60 3.434 0.388 -20.248 1.00 31.11 N ATOM 865 CA ALA A 60 2.751 -0.340 -21.310 1.00 51.32 C ATOM 866 C ALA A 60 3.074 -1.829 -21.251 1.00 52.12 C ATOM 867 O ALA A 60 3.974 -2.305 -21.942 1.00 33.41 O ATOM 868 CB ALA A 60 3.130 0.231 -22.669 1.00 13.02 C ATOM 0 H ALA A 60 4.296 0.850 -20.540 1.00 31.11 H new ATOM 0 HA ALA A 60 1.677 -0.222 -21.165 1.00 51.32 H new ATOM 0 HB1 ALA A 60 2.613 -0.322 -23.453 1.00 13.02 H new ATOM 0 HB2 ALA A 60 2.842 1.281 -22.715 1.00 13.02 H new ATOM 0 HB3 ALA A 60 4.207 0.143 -22.813 1.00 13.02 H new ATOM 874 N GLU A 61 2.334 -2.558 -20.421 1.00 40.23 N ATOM 875 CA GLU A 61 2.544 -3.993 -20.272 1.00 1.00 C ATOM 876 C GLU A 61 1.239 -4.700 -19.920 1.00 74.30 C ATOM 877 O GLU A 61 0.237 -4.058 -19.602 1.00 73.42 O ATOM 878 CB GLU A 61 3.593 -4.268 -19.192 1.00 51.33 C ATOM 879 CG GLU A 61 5.017 -4.301 -19.721 1.00 51.53 C ATOM 880 CD GLU A 61 6.019 -4.742 -18.672 1.00 71.44 C ATOM 881 OE1 GLU A 61 5.685 -5.647 -17.878 1.00 44.30 O ATOM 882 OE2 GLU A 61 7.136 -4.185 -18.646 1.00 14.55 O ATOM 0 H GLU A 61 1.585 -2.179 -19.842 1.00 40.23 H new ATOM 0 HA GLU A 61 2.903 -4.383 -21.225 1.00 1.00 H new ATOM 0 HB2 GLU A 61 3.518 -3.501 -18.421 1.00 51.33 H new ATOM 0 HB3 GLU A 61 3.369 -5.222 -18.715 1.00 51.33 H new ATOM 0 HG2 GLU A 61 5.068 -4.978 -20.574 1.00 51.53 H new ATOM 0 HG3 GLU A 61 5.289 -3.310 -20.084 1.00 51.53 H new ATOM 889 N THR A 62 1.257 -6.028 -19.980 1.00 20.35 N ATOM 890 CA THR A 62 0.076 -6.824 -19.669 1.00 51.24 C ATOM 891 C THR A 62 0.199 -7.479 -18.298 1.00 55.52 C ATOM 892 O THR A 62 1.264 -7.972 -17.928 1.00 11.24 O ATOM 893 CB THR A 62 -0.159 -7.917 -20.729 1.00 31.24 C ATOM 894 OG1 THR A 62 -1.235 -8.770 -20.322 1.00 23.32 O ATOM 895 CG2 THR A 62 1.099 -8.745 -20.940 1.00 65.11 C ATOM 0 H THR A 62 2.077 -6.575 -20.241 1.00 20.35 H new ATOM 0 HA THR A 62 -0.774 -6.141 -19.667 1.00 51.24 H new ATOM 0 HB THR A 62 -0.417 -7.431 -21.670 1.00 31.24 H new ATOM 0 HG1 THR A 62 -1.380 -9.461 -21.002 1.00 23.32 H new ATOM 0 HG21 THR A 62 0.909 -9.510 -21.693 1.00 65.11 H new ATOM 0 HG22 THR A 62 1.908 -8.098 -21.277 1.00 65.11 H new ATOM 0 HG23 THR A 62 1.383 -9.222 -20.002 1.00 65.11 H new ATOM 903 N VAL A 63 -0.899 -7.481 -17.548 1.00 41.42 N ATOM 904 CA VAL A 63 -0.915 -8.077 -16.218 1.00 4.12 C ATOM 905 C VAL A 63 -2.324 -8.087 -15.637 1.00 30.23 C ATOM 906 O VAL A 63 -3.106 -7.165 -15.862 1.00 41.42 O ATOM 907 CB VAL A 63 0.021 -7.323 -15.254 1.00 32.12 C ATOM 908 CG1 VAL A 63 -0.400 -5.867 -15.131 1.00 50.50 C ATOM 909 CG2 VAL A 63 0.037 -7.999 -13.891 1.00 2.41 C ATOM 0 H VAL A 63 -1.789 -7.076 -17.839 1.00 41.42 H new ATOM 0 HA VAL A 63 -0.563 -9.103 -16.327 1.00 4.12 H new ATOM 0 HB VAL A 63 1.032 -7.351 -15.660 1.00 32.12 H new ATOM 0 HG11 VAL A 63 0.272 -5.350 -14.446 1.00 50.50 H new ATOM 0 HG12 VAL A 63 -0.356 -5.391 -16.111 1.00 50.50 H new ATOM 0 HG13 VAL A 63 -1.419 -5.814 -14.748 1.00 50.50 H new ATOM 0 HG21 VAL A 63 0.703 -7.454 -13.222 1.00 2.41 H new ATOM 0 HG22 VAL A 63 -0.971 -8.004 -13.475 1.00 2.41 H new ATOM 0 HG23 VAL A 63 0.390 -9.025 -13.998 1.00 2.41 H new ATOM 919 N ASN A 64 -2.641 -9.138 -14.887 1.00 13.43 N ATOM 920 CA ASN A 64 -3.958 -9.268 -14.272 1.00 65.55 C ATOM 921 C ASN A 64 -4.036 -8.464 -12.978 1.00 72.52 C ATOM 922 O ASN A 64 -3.246 -8.672 -12.057 1.00 2.34 O ATOM 923 CB ASN A 64 -4.268 -10.740 -13.992 1.00 31.15 C ATOM 924 CG ASN A 64 -4.770 -11.470 -15.222 1.00 74.12 C ATOM 925 OD1 ASN A 64 -5.585 -10.944 -15.980 1.00 53.03 O ATOM 926 ND2 ASN A 64 -4.285 -12.689 -15.426 1.00 20.31 N ATOM 0 H ASN A 64 -2.005 -9.911 -14.691 1.00 13.43 H new ATOM 0 HA ASN A 64 -4.698 -8.873 -14.968 1.00 65.55 H new ATOM 0 HB2 ASN A 64 -3.369 -11.233 -13.622 1.00 31.15 H new ATOM 0 HB3 ASN A 64 -5.017 -10.807 -13.203 1.00 31.15 H new ATOM 0 HD21 ASN A 64 -4.586 -13.229 -16.237 1.00 20.31 H new ATOM 0 HD22 ASN A 64 -3.611 -13.086 -14.771 1.00 20.31 H new ATOM 933 N LEU A 65 -4.995 -7.547 -12.916 1.00 1.03 N ATOM 934 CA LEU A 65 -5.178 -6.711 -11.734 1.00 73.40 C ATOM 935 C LEU A 65 -6.553 -6.050 -11.743 1.00 4.20 C ATOM 936 O LEU A 65 -6.878 -5.284 -12.650 1.00 63.25 O ATOM 937 CB LEU A 65 -4.086 -5.643 -11.666 1.00 43.01 C ATOM 938 CG LEU A 65 -3.817 -5.045 -10.285 1.00 11.51 C ATOM 939 CD1 LEU A 65 -2.371 -4.587 -10.173 1.00 60.14 C ATOM 940 CD2 LEU A 65 -4.767 -3.888 -10.011 1.00 1.40 C ATOM 0 H LEU A 65 -5.658 -7.363 -13.669 1.00 1.03 H new ATOM 0 HA LEU A 65 -5.108 -7.349 -10.853 1.00 73.40 H new ATOM 0 HB2 LEU A 65 -3.158 -6.076 -12.039 1.00 43.01 H new ATOM 0 HB3 LEU A 65 -4.355 -4.833 -12.344 1.00 43.01 H new ATOM 0 HG LEU A 65 -3.991 -5.818 -9.536 1.00 11.51 H new ATOM 0 HD11 LEU A 65 -2.199 -4.164 -9.183 1.00 60.14 H new ATOM 0 HD12 LEU A 65 -1.707 -5.438 -10.325 1.00 60.14 H new ATOM 0 HD13 LEU A 65 -2.169 -3.830 -10.931 1.00 60.14 H new ATOM 0 HD21 LEU A 65 -4.561 -3.474 -9.024 1.00 1.40 H new ATOM 0 HD22 LEU A 65 -4.625 -3.114 -10.765 1.00 1.40 H new ATOM 0 HD23 LEU A 65 -5.796 -4.246 -10.047 1.00 1.40 H new ATOM 952 N TRP A 66 -7.354 -6.349 -10.727 1.00 4.53 N ATOM 953 CA TRP A 66 -8.693 -5.781 -10.617 1.00 5.44 C ATOM 954 C TRP A 66 -8.679 -4.517 -9.764 1.00 14.13 C ATOM 955 O TRP A 66 -7.838 -4.364 -8.879 1.00 34.45 O ATOM 956 CB TRP A 66 -9.656 -6.806 -10.016 1.00 41.14 C ATOM 957 CG TRP A 66 -9.601 -8.141 -10.695 1.00 53.15 C ATOM 958 CD1 TRP A 66 -9.875 -8.405 -12.007 1.00 43.12 C ATOM 959 CD2 TRP A 66 -9.254 -9.394 -10.096 1.00 43.30 C ATOM 960 NE1 TRP A 66 -9.718 -9.747 -12.259 1.00 40.53 N ATOM 961 CE2 TRP A 66 -9.337 -10.375 -11.103 1.00 44.25 C ATOM 962 CE3 TRP A 66 -8.879 -9.782 -8.807 1.00 65.01 C ATOM 963 CZ2 TRP A 66 -9.059 -11.717 -10.859 1.00 71.24 C ATOM 964 CZ3 TRP A 66 -8.604 -11.115 -8.566 1.00 42.25 C ATOM 965 CH2 TRP A 66 -8.694 -12.069 -9.588 1.00 73.33 C ATOM 0 H TRP A 66 -7.100 -6.981 -9.968 1.00 4.53 H new ATOM 0 HA TRP A 66 -9.033 -5.517 -11.619 1.00 5.44 H new ATOM 0 HB2 TRP A 66 -9.425 -6.934 -8.958 1.00 41.14 H new ATOM 0 HB3 TRP A 66 -10.673 -6.418 -10.076 1.00 41.14 H new ATOM 0 HD1 TRP A 66 -10.171 -7.668 -12.739 1.00 43.12 H new ATOM 0 HE1 TRP A 66 -9.862 -10.202 -13.161 1.00 40.53 H new ATOM 0 HE3 TRP A 66 -8.805 -9.053 -8.013 1.00 65.01 H new ATOM 0 HZ2 TRP A 66 -9.129 -12.454 -11.645 1.00 71.24 H new ATOM 0 HZ3 TRP A 66 -8.315 -11.426 -7.573 1.00 42.25 H new ATOM 0 HH2 TRP A 66 -8.471 -13.103 -9.368 1.00 73.33 H new ATOM 976 N GLU A 67 -9.616 -3.614 -10.036 1.00 75.22 N ATOM 977 CA GLU A 67 -9.710 -2.363 -9.293 1.00 35.44 C ATOM 978 C GLU A 67 -11.056 -1.686 -9.536 1.00 1.41 C ATOM 979 O GLU A 67 -11.368 -1.285 -10.657 1.00 51.13 O ATOM 980 CB GLU A 67 -8.573 -1.421 -9.691 1.00 2.23 C ATOM 981 CG GLU A 67 -8.503 -1.148 -11.184 1.00 11.42 C ATOM 982 CD GLU A 67 -7.226 -0.437 -11.588 1.00 22.22 C ATOM 983 OE1 GLU A 67 -7.036 0.724 -11.170 1.00 10.32 O ATOM 984 OE2 GLU A 67 -6.417 -1.042 -12.322 1.00 4.13 O ATOM 0 H GLU A 67 -10.320 -3.726 -10.765 1.00 75.22 H new ATOM 0 HA GLU A 67 -9.625 -2.593 -8.231 1.00 35.44 H new ATOM 0 HB2 GLU A 67 -8.694 -0.475 -9.163 1.00 2.23 H new ATOM 0 HB3 GLU A 67 -7.626 -1.850 -9.364 1.00 2.23 H new ATOM 0 HG2 GLU A 67 -8.576 -2.091 -11.726 1.00 11.42 H new ATOM 0 HG3 GLU A 67 -9.360 -0.543 -11.480 1.00 11.42 H new ATOM 991 N VAL A 68 -11.849 -1.561 -8.477 1.00 34.43 N ATOM 992 CA VAL A 68 -13.161 -0.932 -8.574 1.00 31.13 C ATOM 993 C VAL A 68 -13.353 0.110 -7.478 1.00 0.22 C ATOM 994 O VAL A 68 -14.146 -0.083 -6.557 1.00 2.32 O ATOM 995 CB VAL A 68 -14.292 -1.974 -8.480 1.00 3.12 C ATOM 996 CG1 VAL A 68 -14.388 -2.775 -9.769 1.00 23.50 C ATOM 997 CG2 VAL A 68 -14.072 -2.892 -7.287 1.00 11.33 C ATOM 0 H VAL A 68 -11.606 -1.887 -7.542 1.00 34.43 H new ATOM 0 HA VAL A 68 -13.207 -0.444 -9.548 1.00 31.13 H new ATOM 0 HB VAL A 68 -15.236 -1.449 -8.336 1.00 3.12 H new ATOM 0 HG11 VAL A 68 -15.192 -3.506 -9.684 1.00 23.50 H new ATOM 0 HG12 VAL A 68 -14.596 -2.102 -10.601 1.00 23.50 H new ATOM 0 HG13 VAL A 68 -13.445 -3.292 -9.947 1.00 23.50 H new ATOM 0 HG21 VAL A 68 -14.880 -3.622 -7.236 1.00 11.33 H new ATOM 0 HG22 VAL A 68 -13.120 -3.412 -7.398 1.00 11.33 H new ATOM 0 HG23 VAL A 68 -14.058 -2.301 -6.371 1.00 11.33 H new ATOM 1007 N GLU A 69 -12.622 1.215 -7.585 1.00 3.20 N ATOM 1008 CA GLU A 69 -12.712 2.288 -6.602 1.00 1.41 C ATOM 1009 C GLU A 69 -12.056 3.563 -7.126 1.00 25.44 C ATOM 1010 O GLU A 69 -11.002 3.515 -7.762 1.00 53.41 O ATOM 1011 CB GLU A 69 -12.051 1.864 -5.289 1.00 31.13 C ATOM 1012 CG GLU A 69 -10.626 1.364 -5.458 1.00 74.41 C ATOM 1013 CD GLU A 69 -9.944 1.085 -4.133 1.00 14.34 C ATOM 1014 OE1 GLU A 69 -10.566 1.344 -3.081 1.00 4.54 O ATOM 1015 OE2 GLU A 69 -8.790 0.609 -4.147 1.00 73.11 O ATOM 0 H GLU A 69 -11.961 1.390 -8.342 1.00 3.20 H new ATOM 0 HA GLU A 69 -13.767 2.491 -6.420 1.00 1.41 H new ATOM 0 HB2 GLU A 69 -12.051 2.710 -4.602 1.00 31.13 H new ATOM 0 HB3 GLU A 69 -12.650 1.079 -4.827 1.00 31.13 H new ATOM 0 HG2 GLU A 69 -10.633 0.454 -6.057 1.00 74.41 H new ATOM 0 HG3 GLU A 69 -10.048 2.105 -6.011 1.00 74.41 H new ATOM 1022 N HIS A 70 -12.686 4.701 -6.854 1.00 30.23 N ATOM 1023 CA HIS A 70 -12.164 5.989 -7.297 1.00 71.31 C ATOM 1024 C HIS A 70 -11.458 6.712 -6.154 1.00 34.43 C ATOM 1025 O HIS A 70 -11.632 6.364 -4.985 1.00 43.30 O ATOM 1026 CB HIS A 70 -13.295 6.859 -7.846 1.00 3.41 C ATOM 1027 CG HIS A 70 -13.811 6.403 -9.176 1.00 4.01 C ATOM 1028 ND1 HIS A 70 -14.228 7.274 -10.160 1.00 62.23 N ATOM 1029 CD2 HIS A 70 -13.974 5.159 -9.683 1.00 22.55 C ATOM 1030 CE1 HIS A 70 -14.627 6.585 -11.214 1.00 60.43 C ATOM 1031 NE2 HIS A 70 -14.483 5.299 -10.950 1.00 64.53 N ATOM 0 H HIS A 70 -13.559 4.758 -6.329 1.00 30.23 H new ATOM 0 HA HIS A 70 -11.439 5.806 -8.090 1.00 71.31 H new ATOM 0 HB2 HIS A 70 -14.117 6.866 -7.130 1.00 3.41 H new ATOM 0 HB3 HIS A 70 -12.941 7.886 -7.936 1.00 3.41 H new ATOM 0 HD2 HIS A 70 -13.746 4.229 -9.184 1.00 22.55 H new ATOM 0 HE1 HIS A 70 -15.006 7.002 -12.135 1.00 60.43 H new ATOM 0 HE2 HIS A 70 -14.713 4.534 -11.585 1.00 64.53 H new ATOM 1039 N HIS A 71 -10.662 7.718 -6.499 1.00 3.34 N ATOM 1040 CA HIS A 71 -9.929 8.490 -5.501 1.00 15.12 C ATOM 1041 C HIS A 71 -10.869 8.999 -4.411 1.00 45.45 C ATOM 1042 O HIS A 71 -10.423 9.517 -3.387 1.00 2.12 O ATOM 1043 CB HIS A 71 -9.211 9.667 -6.162 1.00 21.40 C ATOM 1044 CG HIS A 71 -8.064 9.255 -7.033 1.00 2.14 C ATOM 1045 ND1 HIS A 71 -6.796 9.782 -6.906 1.00 40.51 N ATOM 1046 CD2 HIS A 71 -7.998 8.360 -8.046 1.00 21.02 C ATOM 1047 CE1 HIS A 71 -6.000 9.231 -7.805 1.00 74.10 C ATOM 1048 NE2 HIS A 71 -6.705 8.364 -8.509 1.00 73.31 N ATOM 0 H HIS A 71 -10.508 8.018 -7.461 1.00 3.34 H new ATOM 0 HA HIS A 71 -9.189 7.835 -5.042 1.00 15.12 H new ATOM 0 HB2 HIS A 71 -9.928 10.230 -6.761 1.00 21.40 H new ATOM 0 HB3 HIS A 71 -8.845 10.340 -5.387 1.00 21.40 H new ATOM 0 HD2 HIS A 71 -8.811 7.755 -8.421 1.00 21.02 H new ATOM 0 HE1 HIS A 71 -4.952 9.452 -7.941 1.00 74.10 H new ATOM 0 HE2 HIS A 71 -6.347 7.790 -9.273 1.00 73.31 H new TER 1056 HIS A 71