USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=10 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0997 K(o=-0.1,f=-2.2!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= -0.511 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -47:sc= 0.446 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 33 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.14) USER MOD Single : A 45 HIS : no HD1:sc= -0.628 X(o=-0.63,f=-0.48) USER MOD Single : A 47 THR OG1 : rot -150:sc= -0.903 USER MOD Single : A 55 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.38) 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= -0.0162 K(o=-0.016,f=-0.52) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.151 -0.996 -12.288 1.00 64.21 N ATOM 2 CA MET A 1 14.865 -0.526 -11.106 1.00 40.15 C ATOM 3 C MET A 1 15.154 -1.679 -10.151 1.00 63.31 C ATOM 4 O MET A 1 14.406 -1.916 -9.202 1.00 42.13 O ATOM 5 CB MET A 1 14.052 0.554 -10.390 1.00 21.24 C ATOM 6 CG MET A 1 14.892 1.460 -9.504 1.00 64.23 C ATOM 7 SD MET A 1 15.969 2.553 -10.452 1.00 20.52 S ATOM 8 CE MET A 1 15.427 4.155 -9.864 1.00 55.22 C ATOM 0 H1 MET A 1 13.965 -0.194 -12.923 1.00 64.21 H new ATOM 0 H2 MET A 1 14.729 -1.704 -12.784 1.00 64.21 H new ATOM 0 H3 MET A 1 13.249 -1.426 -12.000 1.00 64.21 H new ATOM 0 HA MET A 1 15.815 -0.101 -11.430 1.00 40.15 H new ATOM 0 HB2 MET A 1 13.537 1.162 -11.134 1.00 21.24 H new ATOM 0 HB3 MET A 1 13.284 0.076 -9.782 1.00 21.24 H new ATOM 0 HG2 MET A 1 14.233 2.060 -8.876 1.00 64.23 H new ATOM 0 HG3 MET A 1 15.498 0.848 -8.836 1.00 64.23 H new ATOM 0 HE1 MET A 1 16.001 4.938 -10.359 1.00 55.22 H new ATOM 0 HE2 MET A 1 14.368 4.285 -10.087 1.00 55.22 H new ATOM 0 HE3 MET A 1 15.581 4.218 -8.787 1.00 55.22 H new ATOM 18 N LYS A 2 16.244 -2.395 -10.408 1.00 1.15 N ATOM 19 CA LYS A 2 16.633 -3.523 -9.570 1.00 65.44 C ATOM 20 C LYS A 2 18.127 -3.484 -9.265 1.00 23.14 C ATOM 21 O LYS A 2 18.919 -2.962 -10.050 1.00 64.42 O ATOM 22 CB LYS A 2 16.278 -4.843 -10.259 1.00 53.23 C ATOM 23 CG LYS A 2 16.968 -5.035 -11.599 1.00 31.04 C ATOM 24 CD LYS A 2 16.460 -6.276 -12.314 1.00 44.45 C ATOM 25 CE LYS A 2 17.462 -6.773 -13.345 1.00 62.31 C ATOM 26 NZ LYS A 2 18.538 -7.593 -12.722 1.00 71.21 N ATOM 0 H LYS A 2 16.873 -2.214 -11.190 1.00 1.15 H new ATOM 0 HA LYS A 2 16.085 -3.451 -8.630 1.00 65.44 H new ATOM 0 HB2 LYS A 2 16.545 -5.670 -9.601 1.00 53.23 H new ATOM 0 HB3 LYS A 2 15.199 -4.888 -10.406 1.00 53.23 H new ATOM 0 HG2 LYS A 2 16.800 -4.159 -12.225 1.00 31.04 H new ATOM 0 HG3 LYS A 2 18.044 -5.116 -11.447 1.00 31.04 H new ATOM 0 HD2 LYS A 2 16.265 -7.063 -11.586 1.00 44.45 H new ATOM 0 HD3 LYS A 2 15.512 -6.053 -12.804 1.00 44.45 H new ATOM 0 HE2 LYS A 2 16.944 -7.366 -14.099 1.00 62.31 H new ATOM 0 HE3 LYS A 2 17.906 -5.921 -13.860 1.00 62.31 H new ATOM 0 HZ1 LYS A 2 19.201 -7.913 -13.457 1.00 71.21 H new ATOM 0 HZ2 LYS A 2 19.049 -7.020 -12.021 1.00 71.21 H new ATOM 0 HZ3 LYS A 2 18.117 -8.420 -12.252 1.00 71.21 H new ATOM 40 N THR A 3 18.507 -4.040 -8.118 1.00 62.54 N ATOM 41 CA THR A 3 19.906 -4.069 -7.709 1.00 73.23 C ATOM 42 C THR A 3 20.203 -5.295 -6.853 1.00 41.12 C ATOM 43 O THR A 3 19.309 -5.851 -6.216 1.00 34.04 O ATOM 44 CB THR A 3 20.287 -2.802 -6.921 1.00 14.20 C ATOM 45 OG1 THR A 3 21.706 -2.742 -6.746 1.00 25.01 O ATOM 46 CG2 THR A 3 19.602 -2.783 -5.563 1.00 32.23 C ATOM 0 H THR A 3 17.865 -4.476 -7.456 1.00 62.54 H new ATOM 0 HA THR A 3 20.501 -4.113 -8.621 1.00 73.23 H new ATOM 0 HB THR A 3 19.955 -1.934 -7.490 1.00 14.20 H new ATOM 0 HG1 THR A 3 21.940 -1.933 -6.246 1.00 25.01 H new ATOM 0 HG21 THR A 3 19.886 -1.879 -5.025 1.00 32.23 H new ATOM 0 HG22 THR A 3 18.521 -2.799 -5.701 1.00 32.23 H new ATOM 0 HG23 THR A 3 19.907 -3.658 -4.989 1.00 32.23 H new ATOM 54 N PHE A 4 21.465 -5.711 -6.843 1.00 30.45 N ATOM 55 CA PHE A 4 21.880 -6.873 -6.064 1.00 42.51 C ATOM 56 C PHE A 4 21.975 -6.527 -4.581 1.00 22.21 C ATOM 57 O PHE A 4 22.416 -5.439 -4.213 1.00 50.31 O ATOM 58 CB PHE A 4 23.229 -7.393 -6.565 1.00 72.45 C ATOM 59 CG PHE A 4 23.313 -7.495 -8.062 1.00 24.24 C ATOM 60 CD1 PHE A 4 22.643 -8.500 -8.740 1.00 32.42 C ATOM 61 CD2 PHE A 4 24.063 -6.586 -8.790 1.00 11.41 C ATOM 62 CE1 PHE A 4 22.720 -8.597 -10.116 1.00 53.33 C ATOM 63 CE2 PHE A 4 24.143 -6.677 -10.167 1.00 2.42 C ATOM 64 CZ PHE A 4 23.470 -7.683 -10.831 1.00 32.12 C ATOM 0 H PHE A 4 22.218 -5.262 -7.365 1.00 30.45 H new ATOM 0 HA PHE A 4 21.128 -7.652 -6.190 1.00 42.51 H new ATOM 0 HB2 PHE A 4 24.019 -6.732 -6.209 1.00 72.45 H new ATOM 0 HB3 PHE A 4 23.415 -8.375 -6.131 1.00 72.45 H new ATOM 0 HD1 PHE A 4 22.054 -9.216 -8.187 1.00 32.42 H new ATOM 0 HD2 PHE A 4 24.591 -5.797 -8.276 1.00 11.41 H new ATOM 0 HE1 PHE A 4 22.194 -9.387 -10.632 1.00 53.33 H new ATOM 0 HE2 PHE A 4 24.731 -5.962 -10.723 1.00 2.42 H new ATOM 0 HZ PHE A 4 23.530 -7.755 -11.907 1.00 32.12 H new ATOM 74 N ALA A 5 21.558 -7.462 -3.734 1.00 32.41 N ATOM 75 CA ALA A 5 21.597 -7.259 -2.291 1.00 53.31 C ATOM 76 C ALA A 5 22.930 -7.715 -1.708 1.00 34.40 C ATOM 77 O ALA A 5 23.566 -8.632 -2.229 1.00 75.54 O ATOM 78 CB ALA A 5 20.446 -7.996 -1.623 1.00 13.13 C ATOM 0 H ALA A 5 21.189 -8.368 -4.022 1.00 32.41 H new ATOM 0 HA ALA A 5 21.492 -6.192 -2.096 1.00 53.31 H new ATOM 0 HB1 ALA A 5 20.488 -7.836 -0.546 1.00 13.13 H new ATOM 0 HB2 ALA A 5 19.499 -7.619 -2.010 1.00 13.13 H new ATOM 0 HB3 ALA A 5 20.525 -9.062 -1.834 1.00 13.13 H new ATOM 84 N LEU A 6 23.348 -7.071 -0.625 1.00 0.54 N ATOM 85 CA LEU A 6 24.607 -7.410 0.030 1.00 71.33 C ATOM 86 C LEU A 6 24.526 -7.156 1.532 1.00 71.35 C ATOM 87 O LEU A 6 23.478 -6.770 2.049 1.00 5.30 O ATOM 88 CB LEU A 6 25.754 -6.599 -0.575 1.00 50.02 C ATOM 89 CG LEU A 6 25.984 -6.778 -2.076 1.00 64.32 C ATOM 90 CD1 LEU A 6 26.885 -5.677 -2.613 1.00 40.13 C ATOM 91 CD2 LEU A 6 26.583 -8.147 -2.364 1.00 62.30 C ATOM 0 H LEU A 6 22.834 -6.310 -0.181 1.00 0.54 H new ATOM 0 HA LEU A 6 24.797 -8.471 -0.130 1.00 71.33 H new ATOM 0 HB2 LEU A 6 25.568 -5.543 -0.380 1.00 50.02 H new ATOM 0 HB3 LEU A 6 26.674 -6.863 -0.053 1.00 50.02 H new ATOM 0 HG LEU A 6 25.021 -6.711 -2.582 1.00 64.32 H new ATOM 0 HD11 LEU A 6 27.037 -5.821 -3.683 1.00 40.13 H new ATOM 0 HD12 LEU A 6 26.417 -4.708 -2.440 1.00 40.13 H new ATOM 0 HD13 LEU A 6 27.847 -5.712 -2.101 1.00 40.13 H new ATOM 0 HD21 LEU A 6 26.740 -8.257 -3.437 1.00 62.30 H new ATOM 0 HD22 LEU A 6 27.537 -8.243 -1.846 1.00 62.30 H new ATOM 0 HD23 LEU A 6 25.901 -8.923 -2.016 1.00 62.30 H new ATOM 103 N GLN A 7 25.639 -7.374 2.224 1.00 21.52 N ATOM 104 CA GLN A 7 25.694 -7.167 3.667 1.00 74.55 C ATOM 105 C GLN A 7 25.190 -5.776 4.036 1.00 32.32 C ATOM 106 O GLN A 7 25.694 -4.770 3.539 1.00 21.13 O ATOM 107 CB GLN A 7 27.123 -7.357 4.177 1.00 62.45 C ATOM 108 CG GLN A 7 27.276 -8.525 5.137 1.00 22.35 C ATOM 109 CD GLN A 7 28.431 -8.340 6.102 1.00 13.13 C ATOM 110 OE1 GLN A 7 29.050 -7.277 6.150 1.00 2.21 O ATOM 111 NE2 GLN A 7 28.727 -9.376 6.878 1.00 35.21 N ATOM 0 H GLN A 7 26.515 -7.694 1.810 1.00 21.52 H new ATOM 0 HA GLN A 7 25.047 -7.906 4.140 1.00 74.55 H new ATOM 0 HB2 GLN A 7 27.787 -7.508 3.326 1.00 62.45 H new ATOM 0 HB3 GLN A 7 27.447 -6.443 4.675 1.00 62.45 H new ATOM 0 HG2 GLN A 7 26.352 -8.650 5.702 1.00 22.35 H new ATOM 0 HG3 GLN A 7 27.427 -9.442 4.567 1.00 22.35 H new ATOM 0 HE21 GLN A 7 28.187 -10.239 6.805 1.00 35.21 H new ATOM 0 HE22 GLN A 7 29.494 -9.309 7.547 1.00 35.21 H new ATOM 120 N GLY A 8 24.191 -5.727 4.912 1.00 33.33 N ATOM 121 CA GLY A 8 23.635 -4.454 5.333 1.00 31.52 C ATOM 122 C GLY A 8 23.005 -3.689 4.186 1.00 21.24 C ATOM 123 O GLY A 8 22.884 -2.465 4.240 1.00 22.22 O ATOM 0 H GLY A 8 23.757 -6.546 5.338 1.00 33.33 H new ATOM 0 HA2 GLY A 8 22.886 -4.626 6.106 1.00 31.52 H new ATOM 0 HA3 GLY A 8 24.422 -3.848 5.781 1.00 31.52 H new ATOM 127 N ASP A 9 22.604 -4.411 3.145 1.00 3.44 N ATOM 128 CA ASP A 9 21.984 -3.792 1.980 1.00 50.23 C ATOM 129 C ASP A 9 20.636 -4.438 1.674 1.00 65.22 C ATOM 130 O ASP A 9 20.167 -4.412 0.536 1.00 55.13 O ATOM 131 CB ASP A 9 22.906 -3.905 0.764 1.00 33.24 C ATOM 132 CG ASP A 9 23.956 -2.813 0.731 1.00 45.03 C ATOM 133 OD1 ASP A 9 24.290 -2.278 1.808 1.00 2.04 O ATOM 134 OD2 ASP A 9 24.445 -2.493 -0.373 1.00 54.55 O ATOM 0 H ASP A 9 22.697 -5.425 3.085 1.00 3.44 H new ATOM 0 HA ASP A 9 21.819 -2.738 2.204 1.00 50.23 H new ATOM 0 HB2 ASP A 9 23.398 -4.878 0.774 1.00 33.24 H new ATOM 0 HB3 ASP A 9 22.309 -3.859 -0.147 1.00 33.24 H new ATOM 139 N THR A 10 20.019 -5.020 2.697 1.00 13.24 N ATOM 140 CA THR A 10 18.727 -5.675 2.538 1.00 32.10 C ATOM 141 C THR A 10 17.612 -4.653 2.349 1.00 74.23 C ATOM 142 O THR A 10 17.850 -3.445 2.381 1.00 23.23 O ATOM 143 CB THR A 10 18.394 -6.563 3.752 1.00 14.30 C ATOM 144 OG1 THR A 10 17.902 -5.756 4.828 1.00 23.24 O ATOM 145 CG2 THR A 10 19.621 -7.336 4.210 1.00 11.12 C ATOM 0 H THR A 10 20.394 -5.051 3.645 1.00 13.24 H new ATOM 0 HA THR A 10 18.797 -6.301 1.648 1.00 32.10 H new ATOM 0 HB THR A 10 17.626 -7.277 3.453 1.00 14.30 H new ATOM 0 HG1 THR A 10 17.691 -6.328 5.596 1.00 23.24 H new ATOM 0 HG21 THR A 10 19.361 -7.956 5.068 1.00 11.12 H new ATOM 0 HG22 THR A 10 19.975 -7.971 3.398 1.00 11.12 H new ATOM 0 HG23 THR A 10 20.407 -6.636 4.493 1.00 11.12 H new ATOM 153 N LEU A 11 16.393 -5.144 2.151 1.00 21.15 N ATOM 154 CA LEU A 11 15.239 -4.273 1.958 1.00 43.34 C ATOM 155 C LEU A 11 15.179 -3.200 3.040 1.00 3.30 C ATOM 156 O LEU A 11 14.870 -2.041 2.763 1.00 44.33 O ATOM 157 CB LEU A 11 13.948 -5.093 1.965 1.00 65.50 C ATOM 158 CG LEU A 11 13.935 -6.331 1.067 1.00 31.11 C ATOM 159 CD1 LEU A 11 12.594 -7.043 1.159 1.00 50.40 C ATOM 160 CD2 LEU A 11 14.240 -5.948 -0.374 1.00 31.13 C ATOM 0 H LEU A 11 16.179 -6.141 2.120 1.00 21.15 H new ATOM 0 HA LEU A 11 15.344 -3.782 0.991 1.00 43.34 H new ATOM 0 HB2 LEU A 11 13.747 -5.409 2.989 1.00 65.50 H new ATOM 0 HB3 LEU A 11 13.126 -4.443 1.665 1.00 65.50 H new ATOM 0 HG LEU A 11 14.711 -7.015 1.412 1.00 31.11 H new ATOM 0 HD11 LEU A 11 12.603 -7.921 0.513 1.00 50.40 H new ATOM 0 HD12 LEU A 11 12.416 -7.352 2.189 1.00 50.40 H new ATOM 0 HD13 LEU A 11 11.801 -6.367 0.840 1.00 50.40 H new ATOM 0 HD21 LEU A 11 14.227 -6.841 -0.999 1.00 31.13 H new ATOM 0 HD22 LEU A 11 13.488 -5.245 -0.731 1.00 31.13 H new ATOM 0 HD23 LEU A 11 15.225 -5.483 -0.426 1.00 31.13 H new ATOM 172 N ASP A 12 15.478 -3.593 4.273 1.00 25.40 N ATOM 173 CA ASP A 12 15.462 -2.665 5.397 1.00 11.33 C ATOM 174 C ASP A 12 16.331 -1.445 5.108 1.00 62.15 C ATOM 175 O ASP A 12 15.988 -0.324 5.480 1.00 41.51 O ATOM 176 CB ASP A 12 15.947 -3.362 6.669 1.00 1.23 C ATOM 177 CG ASP A 12 16.338 -2.379 7.755 1.00 13.42 C ATOM 178 OD1 ASP A 12 15.430 -1.838 8.421 1.00 33.02 O ATOM 179 OD2 ASP A 12 17.551 -2.150 7.940 1.00 63.43 O ATOM 0 H ASP A 12 15.735 -4.549 4.519 1.00 25.40 H new ATOM 0 HA ASP A 12 14.435 -2.330 5.544 1.00 11.33 H new ATOM 0 HB2 ASP A 12 15.161 -4.018 7.043 1.00 1.23 H new ATOM 0 HB3 ASP A 12 16.802 -3.994 6.430 1.00 1.23 H new ATOM 184 N ALA A 13 17.459 -1.673 4.442 1.00 74.13 N ATOM 185 CA ALA A 13 18.377 -0.593 4.101 1.00 35.14 C ATOM 186 C ALA A 13 18.001 0.047 2.770 1.00 52.45 C ATOM 187 O ALA A 13 17.835 1.264 2.680 1.00 2.33 O ATOM 188 CB ALA A 13 19.807 -1.111 4.056 1.00 54.34 C ATOM 0 H ALA A 13 17.759 -2.596 4.128 1.00 74.13 H new ATOM 0 HA ALA A 13 18.304 0.172 4.874 1.00 35.14 H new ATOM 0 HB1 ALA A 13 20.482 -0.294 3.800 1.00 54.34 H new ATOM 0 HB2 ALA A 13 20.079 -1.514 5.031 1.00 54.34 H new ATOM 0 HB3 ALA A 13 19.886 -1.896 3.304 1.00 54.34 H new ATOM 194 N ILE A 14 17.869 -0.779 1.737 1.00 13.24 N ATOM 195 CA ILE A 14 17.512 -0.292 0.411 1.00 42.05 C ATOM 196 C ILE A 14 16.281 0.605 0.467 1.00 53.52 C ATOM 197 O ILE A 14 16.283 1.714 -0.070 1.00 12.01 O ATOM 198 CB ILE A 14 17.242 -1.455 -0.562 1.00 71.11 C ATOM 199 CG1 ILE A 14 18.484 -2.340 -0.691 1.00 14.10 C ATOM 200 CG2 ILE A 14 16.822 -0.921 -1.923 1.00 40.32 C ATOM 201 CD1 ILE A 14 18.236 -3.621 -1.456 1.00 72.01 C ATOM 0 H ILE A 14 18.004 -1.788 1.793 1.00 13.24 H new ATOM 0 HA ILE A 14 18.362 0.285 0.048 1.00 42.05 H new ATOM 0 HB ILE A 14 16.427 -2.060 -0.164 1.00 71.11 H new ATOM 0 HG12 ILE A 14 19.272 -1.776 -1.189 1.00 14.10 H new ATOM 0 HG13 ILE A 14 18.850 -2.587 0.306 1.00 14.10 H new ATOM 0 HG21 ILE A 14 16.635 -1.755 -2.599 1.00 40.32 H new ATOM 0 HG22 ILE A 14 15.913 -0.329 -1.817 1.00 40.32 H new ATOM 0 HG23 ILE A 14 17.617 -0.296 -2.330 1.00 40.32 H new ATOM 0 HD11 ILE A 14 19.159 -4.198 -1.508 1.00 72.01 H new ATOM 0 HD12 ILE A 14 17.470 -4.206 -0.947 1.00 72.01 H new ATOM 0 HD13 ILE A 14 17.900 -3.383 -2.465 1.00 72.01 H new ATOM 213 N CYS A 15 15.231 0.120 1.121 1.00 44.20 N ATOM 214 CA CYS A 15 13.992 0.879 1.249 1.00 62.02 C ATOM 215 C CYS A 15 14.259 2.260 1.839 1.00 72.11 C ATOM 216 O CYS A 15 13.512 3.207 1.592 1.00 70.02 O ATOM 217 CB CYS A 15 12.994 0.121 2.125 1.00 73.23 C ATOM 218 SG CYS A 15 12.240 -1.310 1.316 1.00 52.22 S ATOM 0 H CYS A 15 15.213 -0.795 1.571 1.00 44.20 H new ATOM 0 HA CYS A 15 13.567 1.005 0.253 1.00 62.02 H new ATOM 0 HB2 CYS A 15 13.501 -0.212 3.030 1.00 73.23 H new ATOM 0 HB3 CYS A 15 12.206 0.807 2.436 1.00 73.23 H new ATOM 0 HG CYS A 15 11.413 -1.887 2.137 1.00 52.22 H new ATOM 224 N VAL A 16 15.328 2.367 2.622 1.00 53.13 N ATOM 225 CA VAL A 16 15.693 3.632 3.248 1.00 11.10 C ATOM 226 C VAL A 16 16.563 4.473 2.321 1.00 52.42 C ATOM 227 O VAL A 16 16.518 5.703 2.357 1.00 13.22 O ATOM 228 CB VAL A 16 16.444 3.406 4.573 1.00 21.25 C ATOM 229 CG1 VAL A 16 16.869 4.734 5.180 1.00 44.31 C ATOM 230 CG2 VAL A 16 15.581 2.618 5.547 1.00 15.10 C ATOM 0 H VAL A 16 15.956 1.593 2.838 1.00 53.13 H new ATOM 0 HA VAL A 16 14.764 4.164 3.452 1.00 11.10 H new ATOM 0 HB VAL A 16 17.342 2.824 4.366 1.00 21.25 H new ATOM 0 HG11 VAL A 16 17.398 4.554 6.116 1.00 44.31 H new ATOM 0 HG12 VAL A 16 17.527 5.257 4.486 1.00 44.31 H new ATOM 0 HG13 VAL A 16 15.987 5.344 5.374 1.00 44.31 H new ATOM 0 HG21 VAL A 16 16.128 2.468 6.478 1.00 15.10 H new ATOM 0 HG22 VAL A 16 14.664 3.171 5.750 1.00 15.10 H new ATOM 0 HG23 VAL A 16 15.332 1.650 5.112 1.00 15.10 H new ATOM 240 N ARG A 17 17.354 3.802 1.490 1.00 12.40 N ATOM 241 CA ARG A 17 18.235 4.488 0.553 1.00 41.31 C ATOM 242 C ARG A 17 17.495 4.835 -0.735 1.00 53.24 C ATOM 243 O ARG A 17 17.999 5.586 -1.570 1.00 43.25 O ATOM 244 CB ARG A 17 19.453 3.619 0.235 1.00 21.25 C ATOM 245 CG ARG A 17 19.255 2.707 -0.965 1.00 15.34 C ATOM 246 CD ARG A 17 20.457 1.803 -1.182 1.00 23.51 C ATOM 247 NE ARG A 17 20.877 1.144 0.052 1.00 32.22 N ATOM 248 CZ ARG A 17 22.083 0.617 0.231 1.00 41.14 C ATOM 249 NH1 ARG A 17 22.984 0.672 -0.740 1.00 43.03 N ATOM 250 NH2 ARG A 17 22.390 0.034 1.382 1.00 1.24 N ATOM 0 H ARG A 17 17.403 2.784 1.447 1.00 12.40 H new ATOM 0 HA ARG A 17 18.570 5.414 1.020 1.00 41.31 H new ATOM 0 HB2 ARG A 17 20.312 4.265 0.052 1.00 21.25 H new ATOM 0 HB3 ARG A 17 19.692 3.011 1.107 1.00 21.25 H new ATOM 0 HG2 ARG A 17 18.363 2.099 -0.818 1.00 15.34 H new ATOM 0 HG3 ARG A 17 19.086 3.310 -1.857 1.00 15.34 H new ATOM 0 HD2 ARG A 17 20.213 1.049 -1.930 1.00 23.51 H new ATOM 0 HD3 ARG A 17 21.285 2.390 -1.579 1.00 23.51 H new ATOM 0 HE ARG A 17 20.207 1.085 0.819 1.00 32.22 H new ATOM 0 HH11 ARG A 17 22.752 1.120 -1.627 1.00 43.03 H new ATOM 0 HH12 ARG A 17 23.910 0.267 -0.600 1.00 43.03 H new ATOM 0 HH21 ARG A 17 21.699 -0.010 2.131 1.00 1.24 H new ATOM 0 HH22 ARG A 17 23.317 -0.370 1.518 1.00 1.24 H new ATOM 264 N TYR A 18 16.296 4.283 -0.890 1.00 4.23 N ATOM 265 CA TYR A 18 15.488 4.532 -2.077 1.00 73.53 C ATOM 266 C TYR A 18 14.298 5.428 -1.748 1.00 51.04 C ATOM 267 O TYR A 18 14.172 6.532 -2.280 1.00 20.35 O ATOM 268 CB TYR A 18 14.996 3.210 -2.671 1.00 3.22 C ATOM 269 CG TYR A 18 15.825 2.726 -3.839 1.00 72.12 C ATOM 270 CD1 TYR A 18 17.048 2.098 -3.636 1.00 12.31 C ATOM 271 CD2 TYR A 18 15.385 2.897 -5.146 1.00 65.51 C ATOM 272 CE1 TYR A 18 17.809 1.655 -4.700 1.00 73.32 C ATOM 273 CE2 TYR A 18 16.139 2.455 -6.216 1.00 71.24 C ATOM 274 CZ TYR A 18 17.350 1.835 -5.988 1.00 73.24 C ATOM 275 OH TYR A 18 18.104 1.395 -7.052 1.00 31.31 O ATOM 0 H TYR A 18 15.863 3.660 -0.208 1.00 4.23 H new ATOM 0 HA TYR A 18 16.113 5.043 -2.810 1.00 73.53 H new ATOM 0 HB2 TYR A 18 15.000 2.447 -1.892 1.00 3.22 H new ATOM 0 HB3 TYR A 18 13.962 3.329 -2.995 1.00 3.22 H new ATOM 0 HD1 TYR A 18 17.410 1.954 -2.629 1.00 12.31 H new ATOM 0 HD2 TYR A 18 14.438 3.383 -5.328 1.00 65.51 H new ATOM 0 HE1 TYR A 18 18.758 1.170 -4.524 1.00 73.32 H new ATOM 0 HE2 TYR A 18 15.782 2.594 -7.226 1.00 71.24 H new ATOM 0 HH TYR A 18 17.638 1.598 -7.890 1.00 31.31 H new ATOM 285 N TYR A 19 13.428 4.946 -0.869 1.00 33.55 N ATOM 286 CA TYR A 19 12.246 5.701 -0.469 1.00 24.12 C ATOM 287 C TYR A 19 12.508 6.483 0.815 1.00 22.50 C ATOM 288 O TYR A 19 12.008 7.592 0.993 1.00 54.21 O ATOM 289 CB TYR A 19 11.056 4.761 -0.273 1.00 20.53 C ATOM 290 CG TYR A 19 10.944 3.695 -1.340 1.00 14.40 C ATOM 291 CD1 TYR A 19 10.218 3.923 -2.503 1.00 31.33 C ATOM 292 CD2 TYR A 19 11.564 2.462 -1.186 1.00 23.22 C ATOM 293 CE1 TYR A 19 10.112 2.952 -3.480 1.00 0.11 C ATOM 294 CE2 TYR A 19 11.465 1.486 -2.158 1.00 60.35 C ATOM 295 CZ TYR A 19 10.737 1.735 -3.303 1.00 44.53 C ATOM 296 OH TYR A 19 10.636 0.767 -4.275 1.00 75.51 O ATOM 0 H TYR A 19 13.518 4.035 -0.419 1.00 33.55 H new ATOM 0 HA TYR A 19 12.013 6.410 -1.264 1.00 24.12 H new ATOM 0 HB2 TYR A 19 11.140 4.280 0.702 1.00 20.53 H new ATOM 0 HB3 TYR A 19 10.138 5.348 -0.260 1.00 20.53 H new ATOM 0 HD1 TYR A 19 9.729 4.875 -2.645 1.00 31.33 H new ATOM 0 HD2 TYR A 19 12.134 2.263 -0.290 1.00 23.22 H new ATOM 0 HE1 TYR A 19 9.543 3.145 -4.377 1.00 0.11 H new ATOM 0 HE2 TYR A 19 11.955 0.533 -2.022 1.00 60.35 H new ATOM 0 HH TYR A 19 9.702 0.686 -4.560 1.00 75.51 H new ATOM 306 N GLY A 20 13.298 5.894 1.708 1.00 22.20 N ATOM 307 CA GLY A 20 13.614 6.548 2.964 1.00 4.12 C ATOM 308 C GLY A 20 12.684 6.130 4.086 1.00 42.32 C ATOM 309 O GLY A 20 12.491 6.871 5.050 1.00 41.54 O ATOM 0 H GLY A 20 13.724 4.976 1.584 1.00 22.20 H new ATOM 0 HA2 GLY A 20 14.642 6.315 3.243 1.00 4.12 H new ATOM 0 HA3 GLY A 20 13.556 7.628 2.832 1.00 4.12 H new ATOM 313 N ARG A 21 12.105 4.941 3.960 1.00 61.30 N ATOM 314 CA ARG A 21 11.188 4.427 4.970 1.00 74.02 C ATOM 315 C ARG A 21 10.942 2.934 4.772 1.00 10.00 C ATOM 316 O ARG A 21 11.154 2.397 3.684 1.00 14.21 O ATOM 317 CB ARG A 21 9.860 5.185 4.916 1.00 72.21 C ATOM 318 CG ARG A 21 9.122 5.028 3.596 1.00 5.40 C ATOM 319 CD ARG A 21 9.534 6.099 2.598 1.00 41.13 C ATOM 320 NE ARG A 21 8.452 6.432 1.675 1.00 10.54 N ATOM 321 CZ ARG A 21 8.396 7.568 0.988 1.00 32.20 C ATOM 322 NH1 ARG A 21 9.355 8.474 1.118 1.00 22.42 N ATOM 323 NH2 ARG A 21 7.378 7.799 0.168 1.00 24.30 N ATOM 0 H ARG A 21 12.255 4.315 3.168 1.00 61.30 H new ATOM 0 HA ARG A 21 11.644 4.576 5.949 1.00 74.02 H new ATOM 0 HB2 ARG A 21 9.219 4.835 5.725 1.00 72.21 H new ATOM 0 HB3 ARG A 21 10.048 6.244 5.094 1.00 72.21 H new ATOM 0 HG2 ARG A 21 9.326 4.042 3.179 1.00 5.40 H new ATOM 0 HG3 ARG A 21 8.047 5.084 3.769 1.00 5.40 H new ATOM 0 HD2 ARG A 21 9.841 6.996 3.135 1.00 41.13 H new ATOM 0 HD3 ARG A 21 10.400 5.754 2.033 1.00 41.13 H new ATOM 0 HE ARG A 21 7.698 5.756 1.551 1.00 10.54 H new ATOM 0 HH11 ARG A 21 10.139 8.300 1.747 1.00 22.42 H new ATOM 0 HH12 ARG A 21 9.309 9.345 0.589 1.00 22.42 H new ATOM 0 HH21 ARG A 21 6.638 7.104 0.065 1.00 24.30 H new ATOM 0 HH22 ARG A 21 7.335 8.671 -0.359 1.00 24.30 H new ATOM 337 N THR A 22 10.494 2.268 5.832 1.00 63.43 N ATOM 338 CA THR A 22 10.221 0.837 5.776 1.00 44.13 C ATOM 339 C THR A 22 8.739 0.551 5.986 1.00 51.43 C ATOM 340 O THR A 22 8.229 -0.479 5.549 1.00 74.43 O ATOM 341 CB THR A 22 11.036 0.068 6.833 1.00 34.02 C ATOM 342 OG1 THR A 22 11.268 0.902 7.974 1.00 31.51 O ATOM 343 CG2 THR A 22 12.366 -0.397 6.259 1.00 15.14 C ATOM 0 H THR A 22 10.313 2.697 6.740 1.00 63.43 H new ATOM 0 HA THR A 22 10.516 0.498 4.783 1.00 44.13 H new ATOM 0 HB THR A 22 10.463 -0.809 7.135 1.00 34.02 H new ATOM 0 HG1 THR A 22 11.785 0.406 8.642 1.00 31.51 H new ATOM 0 HG21 THR A 22 12.923 -0.937 7.024 1.00 15.14 H new ATOM 0 HG22 THR A 22 12.185 -1.055 5.409 1.00 15.14 H new ATOM 0 HG23 THR A 22 12.943 0.468 5.932 1.00 15.14 H new ATOM 351 N GLU A 23 8.053 1.471 6.657 1.00 52.52 N ATOM 352 CA GLU A 23 6.628 1.317 6.924 1.00 32.31 C ATOM 353 C GLU A 23 5.812 1.494 5.647 1.00 41.33 C ATOM 354 O GLU A 23 5.732 2.591 5.096 1.00 44.34 O ATOM 355 CB GLU A 23 6.171 2.327 7.978 1.00 3.34 C ATOM 356 CG GLU A 23 4.808 2.014 8.572 1.00 22.21 C ATOM 357 CD GLU A 23 4.281 3.135 9.446 1.00 32.03 C ATOM 358 OE1 GLU A 23 4.936 3.454 10.460 1.00 23.15 O ATOM 359 OE2 GLU A 23 3.213 3.693 9.117 1.00 65.01 O ATOM 0 H GLU A 23 8.461 2.330 7.025 1.00 52.52 H new ATOM 0 HA GLU A 23 6.463 0.308 7.303 1.00 32.31 H new ATOM 0 HB2 GLU A 23 6.908 2.361 8.780 1.00 3.34 H new ATOM 0 HB3 GLU A 23 6.143 3.320 7.529 1.00 3.34 H new ATOM 0 HG2 GLU A 23 4.100 1.823 7.766 1.00 22.21 H new ATOM 0 HG3 GLU A 23 4.874 1.099 9.161 1.00 22.21 H new ATOM 366 N GLY A 24 5.208 0.405 5.181 1.00 52.20 N ATOM 367 CA GLY A 24 4.407 0.461 3.972 1.00 31.10 C ATOM 368 C GLY A 24 5.197 0.081 2.735 1.00 12.13 C ATOM 369 O GLY A 24 4.621 -0.269 1.705 1.00 31.11 O ATOM 0 H GLY A 24 5.259 -0.515 5.619 1.00 52.20 H new ATOM 0 HA2 GLY A 24 3.553 -0.209 4.074 1.00 31.10 H new ATOM 0 HA3 GLY A 24 4.009 1.468 3.850 1.00 31.10 H new ATOM 373 N VAL A 25 6.520 0.152 2.836 1.00 65.35 N ATOM 374 CA VAL A 25 7.391 -0.187 1.716 1.00 1.01 C ATOM 375 C VAL A 25 7.856 -1.636 1.801 1.00 64.33 C ATOM 376 O VAL A 25 7.909 -2.343 0.794 1.00 52.32 O ATOM 377 CB VAL A 25 8.624 0.734 1.665 1.00 2.53 C ATOM 378 CG1 VAL A 25 9.417 0.496 0.389 1.00 12.41 C ATOM 379 CG2 VAL A 25 8.204 2.192 1.778 1.00 44.31 C ATOM 0 H VAL A 25 7.013 0.441 3.681 1.00 65.35 H new ATOM 0 HA VAL A 25 6.806 -0.049 0.807 1.00 1.01 H new ATOM 0 HB VAL A 25 9.268 0.498 2.513 1.00 2.53 H new ATOM 0 HG11 VAL A 25 10.284 1.156 0.371 1.00 12.41 H new ATOM 0 HG12 VAL A 25 9.750 -0.541 0.356 1.00 12.41 H new ATOM 0 HG13 VAL A 25 8.786 0.703 -0.475 1.00 12.41 H new ATOM 0 HG21 VAL A 25 9.088 2.829 1.740 1.00 44.31 H new ATOM 0 HG22 VAL A 25 7.539 2.444 0.952 1.00 44.31 H new ATOM 0 HG23 VAL A 25 7.684 2.349 2.723 1.00 44.31 H new ATOM 389 N VAL A 26 8.193 -2.074 3.010 1.00 64.34 N ATOM 390 CA VAL A 26 8.653 -3.441 3.227 1.00 2.30 C ATOM 391 C VAL A 26 7.656 -4.451 2.672 1.00 73.14 C ATOM 392 O VAL A 26 8.039 -5.521 2.200 1.00 20.13 O ATOM 393 CB VAL A 26 8.877 -3.726 4.724 1.00 72.20 C ATOM 394 CG1 VAL A 26 10.016 -2.876 5.266 1.00 54.24 C ATOM 395 CG2 VAL A 26 7.597 -3.481 5.510 1.00 63.55 C ATOM 0 H VAL A 26 8.156 -1.502 3.854 1.00 64.34 H new ATOM 0 HA VAL A 26 9.601 -3.544 2.699 1.00 2.30 H new ATOM 0 HB VAL A 26 9.152 -4.774 4.839 1.00 72.20 H new ATOM 0 HG11 VAL A 26 10.159 -3.092 6.325 1.00 54.24 H new ATOM 0 HG12 VAL A 26 10.932 -3.106 4.722 1.00 54.24 H new ATOM 0 HG13 VAL A 26 9.774 -1.821 5.140 1.00 54.24 H new ATOM 0 HG21 VAL A 26 7.773 -3.687 6.566 1.00 63.55 H new ATOM 0 HG22 VAL A 26 7.289 -2.442 5.390 1.00 63.55 H new ATOM 0 HG23 VAL A 26 6.810 -4.138 5.138 1.00 63.55 H new ATOM 405 N GLU A 27 6.374 -4.103 2.731 1.00 40.14 N ATOM 406 CA GLU A 27 5.321 -4.981 2.233 1.00 1.42 C ATOM 407 C GLU A 27 5.287 -4.980 0.708 1.00 45.34 C ATOM 408 O GLU A 27 4.869 -5.955 0.083 1.00 35.12 O ATOM 409 CB GLU A 27 3.962 -4.546 2.785 1.00 75.15 C ATOM 410 CG GLU A 27 3.805 -4.785 4.277 1.00 43.01 C ATOM 411 CD GLU A 27 3.343 -6.193 4.597 1.00 22.31 C ATOM 412 OE1 GLU A 27 4.201 -7.098 4.669 1.00 51.15 O ATOM 413 OE2 GLU A 27 2.123 -6.390 4.777 1.00 60.14 O ATOM 0 H GLU A 27 6.040 -3.220 3.118 1.00 40.14 H new ATOM 0 HA GLU A 27 5.536 -5.994 2.573 1.00 1.42 H new ATOM 0 HB2 GLU A 27 3.818 -3.485 2.579 1.00 75.15 H new ATOM 0 HB3 GLU A 27 3.175 -5.083 2.255 1.00 75.15 H new ATOM 0 HG2 GLU A 27 4.757 -4.598 4.773 1.00 43.01 H new ATOM 0 HG3 GLU A 27 3.088 -4.071 4.682 1.00 43.01 H new ATOM 420 N THR A 28 5.731 -3.877 0.112 1.00 4.03 N ATOM 421 CA THR A 28 5.751 -3.747 -1.339 1.00 50.01 C ATOM 422 C THR A 28 6.767 -4.698 -1.963 1.00 15.43 C ATOM 423 O THR A 28 6.406 -5.595 -2.724 1.00 52.14 O ATOM 424 CB THR A 28 6.082 -2.306 -1.770 1.00 3.44 C ATOM 425 OG1 THR A 28 5.559 -1.376 -0.814 1.00 74.33 O ATOM 426 CG2 THR A 28 5.506 -2.006 -3.145 1.00 51.41 C ATOM 0 H THR A 28 6.082 -3.061 0.613 1.00 4.03 H new ATOM 0 HA THR A 28 4.752 -4.004 -1.692 1.00 50.01 H new ATOM 0 HB THR A 28 7.166 -2.205 -1.819 1.00 3.44 H new ATOM 0 HG1 THR A 28 5.775 -0.462 -1.094 1.00 74.33 H new ATOM 0 HG21 THR A 28 5.753 -0.983 -3.428 1.00 51.41 H new ATOM 0 HG22 THR A 28 5.929 -2.696 -3.875 1.00 51.41 H new ATOM 0 HG23 THR A 28 4.423 -2.124 -3.119 1.00 51.41 H new ATOM 434 N VAL A 29 8.039 -4.496 -1.634 1.00 53.32 N ATOM 435 CA VAL A 29 9.107 -5.337 -2.161 1.00 11.41 C ATOM 436 C VAL A 29 8.809 -6.814 -1.928 1.00 41.53 C ATOM 437 O VAL A 29 9.208 -7.671 -2.718 1.00 4.33 O ATOM 438 CB VAL A 29 10.463 -4.990 -1.518 1.00 31.13 C ATOM 439 CG1 VAL A 29 11.581 -5.797 -2.161 1.00 12.52 C ATOM 440 CG2 VAL A 29 10.739 -3.498 -1.628 1.00 72.23 C ATOM 0 H VAL A 29 8.355 -3.758 -1.005 1.00 53.32 H new ATOM 0 HA VAL A 29 9.162 -5.145 -3.233 1.00 11.41 H new ATOM 0 HB VAL A 29 10.421 -5.251 -0.460 1.00 31.13 H new ATOM 0 HG11 VAL A 29 12.531 -5.538 -1.694 1.00 12.52 H new ATOM 0 HG12 VAL A 29 11.387 -6.861 -2.024 1.00 12.52 H new ATOM 0 HG13 VAL A 29 11.627 -5.571 -3.226 1.00 12.52 H new ATOM 0 HG21 VAL A 29 11.701 -3.271 -1.169 1.00 72.23 H new ATOM 0 HG22 VAL A 29 10.761 -3.209 -2.679 1.00 72.23 H new ATOM 0 HG23 VAL A 29 9.953 -2.944 -1.116 1.00 72.23 H new ATOM 450 N LEU A 30 8.105 -7.105 -0.840 1.00 52.03 N ATOM 451 CA LEU A 30 7.752 -8.480 -0.503 1.00 11.32 C ATOM 452 C LEU A 30 6.845 -9.087 -1.569 1.00 4.51 C ATOM 453 O LEU A 30 6.919 -10.282 -1.853 1.00 15.32 O ATOM 454 CB LEU A 30 7.059 -8.529 0.860 1.00 24.32 C ATOM 455 CG LEU A 30 7.282 -9.801 1.680 1.00 14.21 C ATOM 456 CD1 LEU A 30 8.640 -9.765 2.363 1.00 12.22 C ATOM 457 CD2 LEU A 30 6.171 -9.975 2.706 1.00 40.22 C ATOM 0 H LEU A 30 7.767 -6.408 -0.176 1.00 52.03 H new ATOM 0 HA LEU A 30 8.671 -9.065 -0.459 1.00 11.32 H new ATOM 0 HB2 LEU A 30 7.398 -7.677 1.449 1.00 24.32 H new ATOM 0 HB3 LEU A 30 5.987 -8.403 0.705 1.00 24.32 H new ATOM 0 HG LEU A 30 7.262 -10.655 1.003 1.00 14.21 H new ATOM 0 HD11 LEU A 30 8.781 -10.678 2.942 1.00 12.22 H new ATOM 0 HD12 LEU A 30 9.424 -9.688 1.610 1.00 12.22 H new ATOM 0 HD13 LEU A 30 8.690 -8.903 3.028 1.00 12.22 H new ATOM 0 HD21 LEU A 30 6.345 -10.885 3.280 1.00 40.22 H new ATOM 0 HD22 LEU A 30 6.160 -9.118 3.379 1.00 40.22 H new ATOM 0 HD23 LEU A 30 5.211 -10.047 2.194 1.00 40.22 H new ATOM 469 N ALA A 31 5.993 -8.254 -2.157 1.00 50.13 N ATOM 470 CA ALA A 31 5.075 -8.707 -3.195 1.00 65.42 C ATOM 471 C ALA A 31 5.795 -8.874 -4.529 1.00 71.13 C ATOM 472 O ALA A 31 5.438 -9.733 -5.335 1.00 35.12 O ATOM 473 CB ALA A 31 3.916 -7.733 -3.337 1.00 13.21 C ATOM 0 H ALA A 31 5.919 -7.262 -1.932 1.00 50.13 H new ATOM 0 HA ALA A 31 4.683 -9.680 -2.899 1.00 65.42 H new ATOM 0 HB1 ALA A 31 3.239 -8.084 -4.116 1.00 13.21 H new ATOM 0 HB2 ALA A 31 3.378 -7.667 -2.391 1.00 13.21 H new ATOM 0 HB3 ALA A 31 4.299 -6.749 -3.606 1.00 13.21 H new ATOM 479 N ALA A 32 6.810 -8.047 -4.757 1.00 13.44 N ATOM 480 CA ALA A 32 7.580 -8.104 -5.993 1.00 11.33 C ATOM 481 C ALA A 32 8.618 -9.220 -5.942 1.00 0.53 C ATOM 482 O ALA A 32 8.986 -9.785 -6.970 1.00 61.13 O ATOM 483 CB ALA A 32 8.253 -6.765 -6.257 1.00 64.33 C ATOM 0 H ALA A 32 7.118 -7.329 -4.101 1.00 13.44 H new ATOM 0 HA ALA A 32 6.893 -8.320 -6.811 1.00 11.33 H new ATOM 0 HB1 ALA A 32 8.825 -6.822 -7.183 1.00 64.33 H new ATOM 0 HB2 ALA A 32 7.494 -5.988 -6.346 1.00 64.33 H new ATOM 0 HB3 ALA A 32 8.923 -6.525 -5.431 1.00 64.33 H new ATOM 489 N ASN A 33 9.087 -9.531 -4.738 1.00 11.44 N ATOM 490 CA ASN A 33 10.084 -10.579 -4.553 1.00 43.40 C ATOM 491 C ASN A 33 9.620 -11.594 -3.514 1.00 21.43 C ATOM 492 O ASN A 33 10.100 -11.624 -2.380 1.00 43.33 O ATOM 493 CB ASN A 33 11.421 -9.969 -4.126 1.00 22.53 C ATOM 494 CG ASN A 33 12.069 -9.162 -5.234 1.00 1.12 C ATOM 495 OD1 ASN A 33 13.040 -9.600 -5.850 1.00 65.41 O ATOM 496 ND2 ASN A 33 11.533 -7.975 -5.492 1.00 12.23 N ATOM 0 H ASN A 33 8.793 -9.072 -3.876 1.00 11.44 H new ATOM 0 HA ASN A 33 10.215 -11.094 -5.504 1.00 43.40 H new ATOM 0 HB2 ASN A 33 11.264 -9.329 -3.258 1.00 22.53 H new ATOM 0 HB3 ASN A 33 12.098 -10.765 -3.817 1.00 22.53 H new ATOM 0 HD21 ASN A 33 11.926 -7.386 -6.226 1.00 12.23 H new ATOM 0 HD22 ASN A 33 10.728 -7.652 -4.956 1.00 12.23 H new ATOM 503 N PRO A 34 8.664 -12.449 -3.907 1.00 53.41 N ATOM 504 CA PRO A 34 8.114 -13.483 -3.025 1.00 43.42 C ATOM 505 C PRO A 34 9.121 -14.590 -2.734 1.00 33.54 C ATOM 506 O PRO A 34 9.917 -14.961 -3.595 1.00 24.14 O ATOM 507 CB PRO A 34 6.928 -14.033 -3.821 1.00 21.55 C ATOM 508 CG PRO A 34 7.266 -13.757 -5.245 1.00 12.21 C ATOM 509 CD PRO A 34 8.045 -12.471 -5.243 1.00 65.04 C ATOM 0 HA PRO A 34 7.840 -13.084 -2.048 1.00 43.42 H new ATOM 0 HB2 PRO A 34 6.795 -15.101 -3.646 1.00 21.55 H new ATOM 0 HB3 PRO A 34 5.997 -13.544 -3.533 1.00 21.55 H new ATOM 0 HG2 PRO A 34 7.855 -14.569 -5.671 1.00 12.21 H new ATOM 0 HG3 PRO A 34 6.364 -13.666 -5.850 1.00 12.21 H new ATOM 0 HD2 PRO A 34 8.795 -12.454 -6.034 1.00 65.04 H new ATOM 0 HD3 PRO A 34 7.397 -11.609 -5.400 1.00 65.04 H new ATOM 517 N GLY A 35 9.078 -15.116 -1.513 1.00 63.30 N ATOM 518 CA GLY A 35 9.992 -16.177 -1.130 1.00 74.12 C ATOM 519 C GLY A 35 11.281 -15.646 -0.536 1.00 50.22 C ATOM 520 O GLY A 35 12.041 -16.391 0.083 1.00 24.03 O ATOM 0 H GLY A 35 8.427 -14.827 -0.783 1.00 63.30 H new ATOM 0 HA2 GLY A 35 9.504 -16.829 -0.406 1.00 74.12 H new ATOM 0 HA3 GLY A 35 10.222 -16.787 -2.004 1.00 74.12 H new ATOM 524 N LEU A 36 11.530 -14.355 -0.726 1.00 12.33 N ATOM 525 CA LEU A 36 12.738 -13.724 -0.205 1.00 53.11 C ATOM 526 C LEU A 36 12.689 -13.626 1.316 1.00 14.03 C ATOM 527 O LEU A 36 13.713 -13.739 1.989 1.00 50.42 O ATOM 528 CB LEU A 36 12.911 -12.330 -0.812 1.00 21.51 C ATOM 529 CG LEU A 36 14.351 -11.836 -0.958 1.00 32.24 C ATOM 530 CD1 LEU A 36 15.004 -11.685 0.407 1.00 12.44 C ATOM 531 CD2 LEU A 36 15.155 -12.786 -1.833 1.00 32.50 C ATOM 0 H LEU A 36 10.912 -13.725 -1.237 1.00 12.33 H new ATOM 0 HA LEU A 36 13.591 -14.344 -0.483 1.00 53.11 H new ATOM 0 HB2 LEU A 36 12.444 -12.324 -1.797 1.00 21.51 H new ATOM 0 HB3 LEU A 36 12.364 -11.617 -0.196 1.00 21.51 H new ATOM 0 HG LEU A 36 14.332 -10.858 -1.440 1.00 32.24 H new ATOM 0 HD11 LEU A 36 16.028 -11.333 0.283 1.00 12.44 H new ATOM 0 HD12 LEU A 36 14.442 -10.965 1.002 1.00 12.44 H new ATOM 0 HD13 LEU A 36 15.011 -12.649 0.916 1.00 12.44 H new ATOM 0 HD21 LEU A 36 16.177 -12.418 -1.926 1.00 32.50 H new ATOM 0 HD22 LEU A 36 15.166 -13.777 -1.380 1.00 32.50 H new ATOM 0 HD23 LEU A 36 14.699 -12.844 -2.821 1.00 32.50 H new ATOM 543 N ALA A 37 11.490 -13.418 1.852 1.00 4.43 N ATOM 544 CA ALA A 37 11.307 -13.309 3.294 1.00 0.02 C ATOM 545 C ALA A 37 11.716 -14.598 3.998 1.00 23.23 C ATOM 546 O ALA A 37 11.949 -14.609 5.206 1.00 1.35 O ATOM 547 CB ALA A 37 9.861 -12.965 3.618 1.00 53.12 C ATOM 0 H ALA A 37 10.632 -13.322 1.309 1.00 4.43 H new ATOM 0 HA ALA A 37 11.950 -12.507 3.657 1.00 0.02 H new ATOM 0 HB1 ALA A 37 9.739 -12.887 4.698 1.00 53.12 H new ATOM 0 HB2 ALA A 37 9.600 -12.014 3.154 1.00 53.12 H new ATOM 0 HB3 ALA A 37 9.206 -13.747 3.235 1.00 53.12 H new ATOM 553 N GLU A 38 11.801 -15.683 3.235 1.00 62.05 N ATOM 554 CA GLU A 38 12.181 -16.978 3.787 1.00 0.23 C ATOM 555 C GLU A 38 13.695 -17.162 3.749 1.00 23.44 C ATOM 556 O GLU A 38 14.231 -18.110 4.326 1.00 64.04 O ATOM 557 CB GLU A 38 11.499 -18.108 3.013 1.00 11.32 C ATOM 558 CG GLU A 38 10.000 -18.188 3.248 1.00 31.24 C ATOM 559 CD GLU A 38 9.354 -19.341 2.504 1.00 13.44 C ATOM 560 OE1 GLU A 38 9.013 -19.164 1.316 1.00 3.01 O ATOM 561 OE2 GLU A 38 9.189 -20.420 3.111 1.00 12.33 O ATOM 0 H GLU A 38 11.612 -15.691 2.233 1.00 62.05 H new ATOM 0 HA GLU A 38 11.854 -17.011 4.826 1.00 0.23 H new ATOM 0 HB2 GLU A 38 11.684 -17.971 1.948 1.00 11.32 H new ATOM 0 HB3 GLU A 38 11.954 -19.057 3.296 1.00 11.32 H new ATOM 0 HG2 GLU A 38 9.809 -18.296 4.316 1.00 31.24 H new ATOM 0 HG3 GLU A 38 9.536 -17.253 2.934 1.00 31.24 H new ATOM 568 N LEU A 39 14.379 -16.251 3.067 1.00 64.13 N ATOM 569 CA LEU A 39 15.832 -16.312 2.952 1.00 25.41 C ATOM 570 C LEU A 39 16.482 -16.436 4.327 1.00 63.25 C ATOM 571 O LEU A 39 17.282 -17.339 4.567 1.00 23.32 O ATOM 572 CB LEU A 39 16.360 -15.068 2.236 1.00 3.11 C ATOM 573 CG LEU A 39 17.748 -15.194 1.607 1.00 42.41 C ATOM 574 CD1 LEU A 39 18.809 -15.364 2.683 1.00 11.43 C ATOM 575 CD2 LEU A 39 17.787 -16.359 0.629 1.00 52.32 C ATOM 0 H LEU A 39 13.951 -15.461 2.585 1.00 64.13 H new ATOM 0 HA LEU A 39 16.089 -17.196 2.368 1.00 25.41 H new ATOM 0 HB2 LEU A 39 15.652 -14.796 1.453 1.00 3.11 H new ATOM 0 HB3 LEU A 39 16.380 -14.244 2.949 1.00 3.11 H new ATOM 0 HG LEU A 39 17.961 -14.277 1.058 1.00 42.41 H new ATOM 0 HD11 LEU A 39 19.790 -15.452 2.216 1.00 11.43 H new ATOM 0 HD12 LEU A 39 18.798 -14.498 3.345 1.00 11.43 H new ATOM 0 HD13 LEU A 39 18.600 -16.264 3.261 1.00 11.43 H new ATOM 0 HD21 LEU A 39 18.782 -16.433 0.191 1.00 52.32 H new ATOM 0 HD22 LEU A 39 17.552 -17.284 1.156 1.00 52.32 H new ATOM 0 HD23 LEU A 39 17.054 -16.195 -0.161 1.00 52.32 H new ATOM 587 N GLY A 40 16.131 -15.523 5.226 1.00 14.35 N ATOM 588 CA GLY A 40 16.687 -15.549 6.566 1.00 2.34 C ATOM 589 C GLY A 40 16.740 -14.172 7.199 1.00 32.22 C ATOM 590 O GLY A 40 15.882 -13.329 6.939 1.00 61.01 O ATOM 0 H GLY A 40 15.471 -14.765 5.051 1.00 14.35 H new ATOM 0 HA2 GLY A 40 16.088 -16.210 7.192 1.00 2.34 H new ATOM 0 HA3 GLY A 40 17.693 -15.968 6.531 1.00 2.34 H new ATOM 594 N ALA A 41 17.748 -13.945 8.034 1.00 4.41 N ATOM 595 CA ALA A 41 17.909 -12.661 8.706 1.00 44.04 C ATOM 596 C ALA A 41 18.441 -11.602 7.746 1.00 63.22 C ATOM 597 O ALA A 41 17.806 -10.570 7.529 1.00 35.52 O ATOM 598 CB ALA A 41 18.837 -12.804 9.903 1.00 21.41 C ATOM 0 H ALA A 41 18.466 -14.633 8.262 1.00 4.41 H new ATOM 0 HA ALA A 41 16.929 -12.337 9.057 1.00 44.04 H new ATOM 0 HB1 ALA A 41 18.948 -11.838 10.395 1.00 21.41 H new ATOM 0 HB2 ALA A 41 18.416 -13.523 10.606 1.00 21.41 H new ATOM 0 HB3 ALA A 41 19.813 -13.154 9.567 1.00 21.41 H new ATOM 604 N VAL A 42 19.612 -11.864 7.173 1.00 50.10 N ATOM 605 CA VAL A 42 20.229 -10.933 6.236 1.00 64.44 C ATOM 606 C VAL A 42 20.323 -11.540 4.840 1.00 14.00 C ATOM 607 O VAL A 42 20.736 -12.689 4.677 1.00 41.33 O ATOM 608 CB VAL A 42 21.639 -10.522 6.700 1.00 43.23 C ATOM 609 CG1 VAL A 42 22.576 -11.720 6.689 1.00 30.24 C ATOM 610 CG2 VAL A 42 22.182 -9.403 5.824 1.00 4.43 C ATOM 0 H VAL A 42 20.152 -12.713 7.341 1.00 50.10 H new ATOM 0 HA VAL A 42 19.593 -10.049 6.203 1.00 64.44 H new ATOM 0 HB VAL A 42 21.572 -10.153 7.723 1.00 43.23 H new ATOM 0 HG11 VAL A 42 23.567 -11.410 7.020 1.00 30.24 H new ATOM 0 HG12 VAL A 42 22.193 -12.488 7.361 1.00 30.24 H new ATOM 0 HG13 VAL A 42 22.640 -12.122 5.678 1.00 30.24 H new ATOM 0 HG21 VAL A 42 23.179 -9.125 6.166 1.00 4.43 H new ATOM 0 HG22 VAL A 42 22.235 -9.743 4.790 1.00 4.43 H new ATOM 0 HG23 VAL A 42 21.522 -8.538 5.888 1.00 4.43 H new ATOM 620 N LEU A 43 19.936 -10.761 3.836 1.00 63.24 N ATOM 621 CA LEU A 43 19.977 -11.221 2.452 1.00 75.03 C ATOM 622 C LEU A 43 21.397 -11.601 2.045 1.00 33.24 C ATOM 623 O LEU A 43 22.378 -11.186 2.663 1.00 35.41 O ATOM 624 CB LEU A 43 19.440 -10.136 1.517 1.00 13.51 C ATOM 625 CG LEU A 43 17.924 -10.114 1.314 1.00 64.23 C ATOM 626 CD1 LEU A 43 17.206 -10.092 2.654 1.00 61.30 C ATOM 627 CD2 LEU A 43 17.517 -8.916 0.468 1.00 34.43 C ATOM 0 H LEU A 43 19.590 -9.809 3.954 1.00 63.24 H new ATOM 0 HA LEU A 43 19.347 -12.107 2.371 1.00 75.03 H new ATOM 0 HB2 LEU A 43 19.749 -9.165 1.905 1.00 13.51 H new ATOM 0 HB3 LEU A 43 19.915 -10.256 0.543 1.00 13.51 H new ATOM 0 HG LEU A 43 17.634 -11.022 0.785 1.00 64.23 H new ATOM 0 HD11 LEU A 43 16.129 -10.077 2.489 1.00 61.30 H new ATOM 0 HD12 LEU A 43 17.473 -10.982 3.225 1.00 61.30 H new ATOM 0 HD13 LEU A 43 17.501 -9.202 3.210 1.00 61.30 H new ATOM 0 HD21 LEU A 43 16.435 -8.916 0.334 1.00 34.43 H new ATOM 0 HD22 LEU A 43 17.820 -7.997 0.969 1.00 34.43 H new ATOM 0 HD23 LEU A 43 18.004 -8.976 -0.506 1.00 34.43 H new ATOM 639 N PRO A 44 21.512 -12.408 0.980 1.00 53.21 N ATOM 640 CA PRO A 44 22.808 -12.859 0.465 1.00 32.41 C ATOM 641 C PRO A 44 23.600 -11.729 -0.182 1.00 42.14 C ATOM 642 O PRO A 44 23.220 -10.561 -0.095 1.00 14.04 O ATOM 643 CB PRO A 44 22.428 -13.912 -0.579 1.00 74.20 C ATOM 644 CG PRO A 44 21.053 -13.536 -1.013 1.00 42.44 C ATOM 645 CD PRO A 44 20.385 -12.941 0.195 1.00 2.33 C ATOM 0 HA PRO A 44 23.452 -13.239 1.258 1.00 32.41 H new ATOM 0 HB2 PRO A 44 23.123 -13.906 -1.418 1.00 74.20 H new ATOM 0 HB3 PRO A 44 22.449 -14.916 -0.155 1.00 74.20 H new ATOM 0 HG2 PRO A 44 21.085 -12.819 -1.834 1.00 42.44 H new ATOM 0 HG3 PRO A 44 20.505 -14.407 -1.372 1.00 42.44 H new ATOM 0 HD2 PRO A 44 19.681 -12.156 -0.081 1.00 2.33 H new ATOM 0 HD3 PRO A 44 19.824 -13.690 0.754 1.00 2.33 H new ATOM 653 N HIS A 45 24.704 -12.083 -0.833 1.00 71.01 N ATOM 654 CA HIS A 45 25.550 -11.097 -1.497 1.00 34.32 C ATOM 655 C HIS A 45 25.673 -11.402 -2.987 1.00 31.34 C ATOM 656 O HIS A 45 26.604 -12.082 -3.416 1.00 42.43 O ATOM 657 CB HIS A 45 26.936 -11.068 -0.854 1.00 25.42 C ATOM 658 CG HIS A 45 27.524 -12.429 -0.635 1.00 53.20 C ATOM 659 ND1 HIS A 45 28.537 -12.946 -1.415 1.00 55.40 N ATOM 660 CD2 HIS A 45 27.236 -13.380 0.284 1.00 51.00 C ATOM 661 CE1 HIS A 45 28.845 -14.156 -0.986 1.00 61.54 C ATOM 662 NE2 HIS A 45 28.071 -14.444 0.044 1.00 14.32 N ATOM 0 H HIS A 45 25.034 -13.045 -0.915 1.00 71.01 H new ATOM 0 HA HIS A 45 25.084 -10.118 -1.382 1.00 34.32 H new ATOM 0 HB2 HIS A 45 27.609 -10.488 -1.486 1.00 25.42 H new ATOM 0 HB3 HIS A 45 26.873 -10.550 0.103 1.00 25.42 H new ATOM 0 HD2 HIS A 45 26.489 -13.315 1.061 1.00 51.00 H new ATOM 0 HE1 HIS A 45 29.602 -14.801 -1.407 1.00 61.54 H new ATOM 0 HE2 HIS A 45 28.090 -15.315 0.575 1.00 14.32 H new ATOM 670 N GLY A 46 24.726 -10.895 -3.770 1.00 73.42 N ATOM 671 CA GLY A 46 24.746 -11.125 -5.203 1.00 24.41 C ATOM 672 C GLY A 46 23.358 -11.316 -5.780 1.00 34.03 C ATOM 673 O GLY A 46 23.151 -11.165 -6.984 1.00 55.22 O ATOM 0 H GLY A 46 23.945 -10.329 -3.438 1.00 73.42 H new ATOM 0 HA2 GLY A 46 25.228 -10.281 -5.696 1.00 24.41 H new ATOM 0 HA3 GLY A 46 25.350 -12.007 -5.418 1.00 24.41 H new ATOM 677 N THR A 47 22.402 -11.651 -4.919 1.00 14.04 N ATOM 678 CA THR A 47 21.026 -11.866 -5.349 1.00 50.43 C ATOM 679 C THR A 47 20.379 -10.559 -5.794 1.00 60.04 C ATOM 680 O THR A 47 20.381 -9.572 -5.059 1.00 32.51 O ATOM 681 CB THR A 47 20.176 -12.489 -4.226 1.00 64.30 C ATOM 682 OG1 THR A 47 20.699 -13.775 -3.873 1.00 1.34 O ATOM 683 CG2 THR A 47 18.725 -12.628 -4.659 1.00 73.10 C ATOM 0 H THR A 47 22.556 -11.779 -3.919 1.00 14.04 H new ATOM 0 HA THR A 47 21.063 -12.556 -6.192 1.00 50.43 H new ATOM 0 HB THR A 47 20.218 -11.829 -3.360 1.00 64.30 H new ATOM 0 HG1 THR A 47 19.970 -14.349 -3.558 1.00 1.34 H new ATOM 0 HG21 THR A 47 18.144 -13.070 -3.849 1.00 73.10 H new ATOM 0 HG22 THR A 47 18.321 -11.645 -4.900 1.00 73.10 H new ATOM 0 HG23 THR A 47 18.668 -13.269 -5.539 1.00 73.10 H new ATOM 691 N ALA A 48 19.826 -10.560 -7.003 1.00 13.32 N ATOM 692 CA ALA A 48 19.172 -9.375 -7.544 1.00 44.45 C ATOM 693 C ALA A 48 17.881 -9.068 -6.794 1.00 31.22 C ATOM 694 O ALA A 48 17.263 -9.960 -6.211 1.00 42.41 O ATOM 695 CB ALA A 48 18.892 -9.559 -9.028 1.00 53.55 C ATOM 0 H ALA A 48 19.818 -11.368 -7.626 1.00 13.32 H new ATOM 0 HA ALA A 48 19.845 -8.528 -7.414 1.00 44.45 H new ATOM 0 HB1 ALA A 48 18.403 -8.667 -9.419 1.00 53.55 H new ATOM 0 HB2 ALA A 48 19.831 -9.721 -9.558 1.00 53.55 H new ATOM 0 HB3 ALA A 48 18.241 -10.421 -9.171 1.00 53.55 H new ATOM 701 N VAL A 49 17.478 -7.802 -6.811 1.00 51.41 N ATOM 702 CA VAL A 49 16.259 -7.378 -6.132 1.00 43.42 C ATOM 703 C VAL A 49 15.582 -6.235 -6.881 1.00 4.24 C ATOM 704 O VAL A 49 16.210 -5.220 -7.182 1.00 31.12 O ATOM 705 CB VAL A 49 16.548 -6.930 -4.687 1.00 65.21 C ATOM 706 CG1 VAL A 49 15.270 -6.468 -4.005 1.00 71.00 C ATOM 707 CG2 VAL A 49 17.204 -8.056 -3.902 1.00 60.52 C ATOM 0 H VAL A 49 17.978 -7.051 -7.288 1.00 51.41 H new ATOM 0 HA VAL A 49 15.592 -8.240 -6.111 1.00 43.42 H new ATOM 0 HB VAL A 49 17.239 -6.088 -4.718 1.00 65.21 H new ATOM 0 HG11 VAL A 49 15.494 -6.155 -2.985 1.00 71.00 H new ATOM 0 HG12 VAL A 49 14.846 -5.629 -4.557 1.00 71.00 H new ATOM 0 HG13 VAL A 49 14.552 -7.288 -3.984 1.00 71.00 H new ATOM 0 HG21 VAL A 49 17.401 -7.722 -2.883 1.00 60.52 H new ATOM 0 HG22 VAL A 49 16.539 -8.919 -3.879 1.00 60.52 H new ATOM 0 HG23 VAL A 49 18.143 -8.334 -4.381 1.00 60.52 H new ATOM 717 N GLU A 50 14.298 -6.407 -7.177 1.00 61.41 N ATOM 718 CA GLU A 50 13.536 -5.389 -7.891 1.00 21.50 C ATOM 719 C GLU A 50 12.891 -4.409 -6.916 1.00 35.33 C ATOM 720 O GLU A 50 12.469 -4.790 -5.823 1.00 34.21 O ATOM 721 CB GLU A 50 12.461 -6.043 -8.762 1.00 13.35 C ATOM 722 CG GLU A 50 11.663 -5.050 -9.591 1.00 65.32 C ATOM 723 CD GLU A 50 10.644 -5.726 -10.488 1.00 10.42 C ATOM 724 OE1 GLU A 50 9.769 -6.441 -9.958 1.00 31.51 O ATOM 725 OE2 GLU A 50 10.722 -5.537 -11.720 1.00 73.51 O ATOM 0 H GLU A 50 13.764 -7.241 -6.934 1.00 61.41 H new ATOM 0 HA GLU A 50 14.225 -4.837 -8.531 1.00 21.50 H new ATOM 0 HB2 GLU A 50 12.934 -6.763 -9.429 1.00 13.35 H new ATOM 0 HB3 GLU A 50 11.778 -6.602 -8.123 1.00 13.35 H new ATOM 0 HG2 GLU A 50 11.151 -4.355 -8.925 1.00 65.32 H new ATOM 0 HG3 GLU A 50 12.346 -4.461 -10.203 1.00 65.32 H new ATOM 732 N LEU A 51 12.818 -3.145 -7.318 1.00 75.40 N ATOM 733 CA LEU A 51 12.224 -2.109 -6.480 1.00 50.14 C ATOM 734 C LEU A 51 10.866 -1.679 -7.026 1.00 42.25 C ATOM 735 O LEU A 51 10.764 -0.797 -7.880 1.00 32.40 O ATOM 736 CB LEU A 51 13.157 -0.900 -6.392 1.00 63.24 C ATOM 737 CG LEU A 51 14.248 -0.971 -5.323 1.00 50.21 C ATOM 738 CD1 LEU A 51 13.632 -1.146 -3.944 1.00 24.44 C ATOM 739 CD2 LEU A 51 15.218 -2.104 -5.625 1.00 12.05 C ATOM 0 H LEU A 51 13.163 -2.813 -8.219 1.00 75.40 H new ATOM 0 HA LEU A 51 12.079 -2.522 -5.482 1.00 50.14 H new ATOM 0 HB2 LEU A 51 13.635 -0.764 -7.362 1.00 63.24 H new ATOM 0 HB3 LEU A 51 12.552 -0.012 -6.207 1.00 63.24 H new ATOM 0 HG LEU A 51 14.803 -0.033 -5.334 1.00 50.21 H new ATOM 0 HD11 LEU A 51 14.423 -1.195 -3.196 1.00 24.44 H new ATOM 0 HD12 LEU A 51 12.979 -0.301 -3.727 1.00 24.44 H new ATOM 0 HD13 LEU A 51 13.052 -2.068 -3.919 1.00 24.44 H new ATOM 0 HD21 LEU A 51 15.988 -2.139 -4.854 1.00 12.05 H new ATOM 0 HD22 LEU A 51 14.678 -3.051 -5.642 1.00 12.05 H new ATOM 0 HD23 LEU A 51 15.684 -1.935 -6.595 1.00 12.05 H new ATOM 751 N PRO A 52 9.797 -2.313 -6.522 1.00 64.12 N ATOM 752 CA PRO A 52 8.426 -2.011 -6.943 1.00 1.20 C ATOM 753 C PRO A 52 7.961 -0.640 -6.463 1.00 64.01 C ATOM 754 O PRO A 52 8.523 -0.078 -5.522 1.00 75.14 O ATOM 755 CB PRO A 52 7.600 -3.117 -6.282 1.00 22.11 C ATOM 756 CG PRO A 52 8.405 -3.536 -5.101 1.00 22.34 C ATOM 757 CD PRO A 52 9.845 -3.374 -5.502 1.00 62.01 C ATOM 0 HA PRO A 52 8.331 -1.980 -8.028 1.00 1.20 H new ATOM 0 HB2 PRO A 52 6.618 -2.752 -5.982 1.00 22.11 H new ATOM 0 HB3 PRO A 52 7.436 -3.950 -6.965 1.00 22.11 H new ATOM 0 HG2 PRO A 52 8.171 -2.922 -4.231 1.00 22.34 H new ATOM 0 HG3 PRO A 52 8.190 -4.569 -4.829 1.00 22.34 H new ATOM 0 HD2 PRO A 52 10.469 -3.089 -4.655 1.00 62.01 H new ATOM 0 HD3 PRO A 52 10.257 -4.300 -5.904 1.00 62.01 H new ATOM 765 N ASP A 53 6.934 -0.107 -7.115 1.00 34.52 N ATOM 766 CA ASP A 53 6.392 1.197 -6.753 1.00 43.52 C ATOM 767 C ASP A 53 7.428 2.295 -6.973 1.00 42.54 C ATOM 768 O ASP A 53 7.542 3.225 -6.175 1.00 3.24 O ATOM 769 CB ASP A 53 5.934 1.197 -5.294 1.00 71.20 C ATOM 770 CG ASP A 53 4.790 2.160 -5.046 1.00 2.40 C ATOM 771 OD1 ASP A 53 3.808 2.128 -5.817 1.00 64.25 O ATOM 772 OD2 ASP A 53 4.876 2.947 -4.080 1.00 23.31 O ATOM 0 H ASP A 53 6.460 -0.558 -7.897 1.00 34.52 H new ATOM 0 HA ASP A 53 5.534 1.397 -7.394 1.00 43.52 H new ATOM 0 HB2 ASP A 53 5.625 0.190 -5.013 1.00 71.20 H new ATOM 0 HB3 ASP A 53 6.774 1.463 -4.653 1.00 71.20 H new ATOM 777 N VAL A 54 8.183 2.181 -8.062 1.00 35.30 N ATOM 778 CA VAL A 54 9.209 3.163 -8.388 1.00 3.34 C ATOM 779 C VAL A 54 9.043 3.680 -9.812 1.00 42.22 C ATOM 780 O VAL A 54 8.680 2.929 -10.716 1.00 74.24 O ATOM 781 CB VAL A 54 10.623 2.572 -8.229 1.00 74.33 C ATOM 782 CG1 VAL A 54 11.671 3.547 -8.743 1.00 54.02 C ATOM 783 CG2 VAL A 54 10.888 2.208 -6.776 1.00 52.02 C ATOM 0 H VAL A 54 8.102 1.417 -8.733 1.00 35.30 H new ATOM 0 HA VAL A 54 9.088 3.990 -7.688 1.00 3.34 H new ATOM 0 HB VAL A 54 10.686 1.662 -8.825 1.00 74.33 H new ATOM 0 HG11 VAL A 54 12.663 3.112 -8.622 1.00 54.02 H new ATOM 0 HG12 VAL A 54 11.491 3.752 -9.798 1.00 54.02 H new ATOM 0 HG13 VAL A 54 11.611 4.477 -8.177 1.00 54.02 H new ATOM 0 HG21 VAL A 54 11.891 1.792 -6.682 1.00 52.02 H new ATOM 0 HG22 VAL A 54 10.806 3.101 -6.156 1.00 52.02 H new ATOM 0 HG23 VAL A 54 10.157 1.470 -6.447 1.00 52.02 H new ATOM 793 N GLN A 55 9.313 4.967 -10.004 1.00 12.41 N ATOM 794 CA GLN A 55 9.193 5.585 -11.319 1.00 72.24 C ATOM 795 C GLN A 55 7.747 5.556 -11.804 1.00 42.05 C ATOM 796 O GLN A 55 7.469 5.163 -12.938 1.00 55.40 O ATOM 797 CB GLN A 55 10.095 4.869 -12.326 1.00 43.31 C ATOM 798 CG GLN A 55 10.430 5.710 -13.548 1.00 20.32 C ATOM 799 CD GLN A 55 11.618 6.623 -13.320 1.00 41.30 C ATOM 800 OE1 GLN A 55 12.656 6.197 -12.812 1.00 74.22 O ATOM 801 NE2 GLN A 55 11.473 7.889 -13.696 1.00 32.34 N ATOM 0 H GLN A 55 9.616 5.602 -9.266 1.00 12.41 H new ATOM 0 HA GLN A 55 9.508 6.625 -11.234 1.00 72.24 H new ATOM 0 HB2 GLN A 55 11.021 4.579 -11.830 1.00 43.31 H new ATOM 0 HB3 GLN A 55 9.606 3.950 -12.650 1.00 43.31 H new ATOM 0 HG2 GLN A 55 10.639 5.052 -14.391 1.00 20.32 H new ATOM 0 HG3 GLN A 55 9.562 6.311 -13.820 1.00 20.32 H new ATOM 0 HE21 GLN A 55 10.596 8.200 -14.113 1.00 32.34 H new ATOM 0 HE22 GLN A 55 12.239 8.550 -13.568 1.00 32.34 H new ATOM 810 N THR A 56 6.829 5.974 -10.939 1.00 0.24 N ATOM 811 CA THR A 56 5.412 5.995 -11.278 1.00 32.12 C ATOM 812 C THR A 56 5.167 6.764 -12.571 1.00 2.21 C ATOM 813 O THR A 56 5.921 7.674 -12.915 1.00 13.33 O ATOM 814 CB THR A 56 4.574 6.628 -10.151 1.00 34.40 C ATOM 815 OG1 THR A 56 3.184 6.587 -10.493 1.00 14.53 O ATOM 816 CG2 THR A 56 4.999 8.067 -9.903 1.00 52.12 C ATOM 0 H THR A 56 7.042 6.303 -9.997 1.00 0.24 H new ATOM 0 HA THR A 56 5.104 4.958 -11.411 1.00 32.12 H new ATOM 0 HB THR A 56 4.740 6.055 -9.239 1.00 34.40 H new ATOM 0 HG1 THR A 56 2.657 6.990 -9.771 1.00 14.53 H new ATOM 0 HG21 THR A 56 4.393 8.493 -9.103 1.00 52.12 H new ATOM 0 HG22 THR A 56 6.050 8.091 -9.615 1.00 52.12 H new ATOM 0 HG23 THR A 56 4.859 8.650 -10.813 1.00 52.12 H new ATOM 824 N ALA A 57 4.109 6.393 -13.284 1.00 34.04 N ATOM 825 CA ALA A 57 3.763 7.051 -14.538 1.00 24.52 C ATOM 826 C ALA A 57 2.297 6.826 -14.890 1.00 13.23 C ATOM 827 O ALA A 57 1.647 5.907 -14.391 1.00 64.52 O ATOM 828 CB ALA A 57 4.660 6.550 -15.660 1.00 61.15 C ATOM 0 H ALA A 57 3.476 5.640 -13.015 1.00 34.04 H new ATOM 0 HA ALA A 57 3.919 8.123 -14.413 1.00 24.52 H new ATOM 0 HB1 ALA A 57 4.391 7.049 -16.591 1.00 61.15 H new ATOM 0 HB2 ALA A 57 5.700 6.768 -15.419 1.00 61.15 H new ATOM 0 HB3 ALA A 57 4.532 5.474 -15.775 1.00 61.15 H new ATOM 834 N PRO A 58 1.760 7.686 -15.769 1.00 20.35 N ATOM 835 CA PRO A 58 0.364 7.601 -16.206 1.00 55.43 C ATOM 836 C PRO A 58 0.105 6.385 -17.089 1.00 42.21 C ATOM 837 O PRO A 58 0.028 6.499 -18.313 1.00 33.35 O ATOM 838 CB PRO A 58 0.163 8.893 -17.003 1.00 61.23 C ATOM 839 CG PRO A 58 1.527 9.261 -17.477 1.00 53.10 C ATOM 840 CD PRO A 58 2.475 8.806 -16.403 1.00 23.41 C ATOM 0 HA PRO A 58 -0.320 7.491 -15.365 1.00 55.43 H new ATOM 0 HB2 PRO A 58 -0.519 8.740 -17.839 1.00 61.23 H new ATOM 0 HB3 PRO A 58 -0.266 9.679 -16.381 1.00 61.23 H new ATOM 0 HG2 PRO A 58 1.753 8.778 -18.428 1.00 53.10 H new ATOM 0 HG3 PRO A 58 1.607 10.336 -17.639 1.00 53.10 H new ATOM 0 HD2 PRO A 58 3.431 8.488 -16.819 1.00 23.41 H new ATOM 0 HD3 PRO A 58 2.687 9.603 -15.690 1.00 23.41 H new ATOM 848 N VAL A 59 -0.028 5.221 -16.461 1.00 1.20 N ATOM 849 CA VAL A 59 -0.279 3.984 -17.190 1.00 33.43 C ATOM 850 C VAL A 59 -1.136 3.027 -16.368 1.00 72.25 C ATOM 851 O VAL A 59 -1.072 3.019 -15.140 1.00 22.34 O ATOM 852 CB VAL A 59 1.036 3.279 -17.570 1.00 45.23 C ATOM 853 CG1 VAL A 59 1.766 2.800 -16.324 1.00 53.23 C ATOM 854 CG2 VAL A 59 0.765 2.120 -18.518 1.00 2.52 C ATOM 0 H VAL A 59 0.034 5.109 -15.449 1.00 1.20 H new ATOM 0 HA VAL A 59 -0.813 4.256 -18.101 1.00 33.43 H new ATOM 0 HB VAL A 59 1.676 3.996 -18.083 1.00 45.23 H new ATOM 0 HG11 VAL A 59 2.693 2.304 -16.613 1.00 53.23 H new ATOM 0 HG12 VAL A 59 1.995 3.653 -15.686 1.00 53.23 H new ATOM 0 HG13 VAL A 59 1.134 2.099 -15.779 1.00 53.23 H new ATOM 0 HG21 VAL A 59 1.706 1.633 -18.776 1.00 2.52 H new ATOM 0 HG22 VAL A 59 0.105 1.400 -18.034 1.00 2.52 H new ATOM 0 HG23 VAL A 59 0.290 2.495 -19.425 1.00 2.52 H new ATOM 864 N ALA A 60 -1.938 2.221 -17.056 1.00 72.44 N ATOM 865 CA ALA A 60 -2.807 1.257 -16.391 1.00 5.40 C ATOM 866 C ALA A 60 -3.843 1.961 -15.522 1.00 55.44 C ATOM 867 O ALA A 60 -3.987 1.654 -14.340 1.00 32.42 O ATOM 868 CB ALA A 60 -1.980 0.293 -15.553 1.00 34.11 C ATOM 0 H ALA A 60 -2.004 2.216 -18.074 1.00 72.44 H new ATOM 0 HA ALA A 60 -3.337 0.693 -17.158 1.00 5.40 H new ATOM 0 HB1 ALA A 60 -2.641 -0.421 -15.062 1.00 34.11 H new ATOM 0 HB2 ALA A 60 -1.282 -0.242 -16.197 1.00 34.11 H new ATOM 0 HB3 ALA A 60 -1.424 0.851 -14.799 1.00 34.11 H new ATOM 874 N GLU A 61 -4.563 2.908 -16.117 1.00 61.14 N ATOM 875 CA GLU A 61 -5.585 3.656 -15.396 1.00 15.22 C ATOM 876 C GLU A 61 -6.843 2.813 -15.204 1.00 51.35 C ATOM 877 O GLU A 61 -6.952 1.709 -15.738 1.00 71.15 O ATOM 878 CB GLU A 61 -5.931 4.944 -16.146 1.00 1.31 C ATOM 879 CG GLU A 61 -4.950 6.077 -15.894 1.00 13.24 C ATOM 880 CD GLU A 61 -3.603 5.839 -16.547 1.00 61.00 C ATOM 881 OE1 GLU A 61 -3.567 5.200 -17.619 1.00 55.02 O ATOM 882 OE2 GLU A 61 -2.583 6.292 -15.985 1.00 55.25 O ATOM 0 H GLU A 61 -4.457 3.174 -17.096 1.00 61.14 H new ATOM 0 HA GLU A 61 -5.186 3.912 -14.414 1.00 15.22 H new ATOM 0 HB2 GLU A 61 -5.964 4.734 -17.215 1.00 1.31 H new ATOM 0 HB3 GLU A 61 -6.930 5.268 -15.854 1.00 1.31 H new ATOM 0 HG2 GLU A 61 -5.372 7.009 -16.271 1.00 13.24 H new ATOM 0 HG3 GLU A 61 -4.812 6.201 -14.820 1.00 13.24 H new ATOM 889 N THR A 62 -7.792 3.342 -14.438 1.00 22.14 N ATOM 890 CA THR A 62 -9.041 2.639 -14.173 1.00 41.14 C ATOM 891 C THR A 62 -8.791 1.337 -13.422 1.00 64.41 C ATOM 892 O THR A 62 -9.560 0.383 -13.539 1.00 72.22 O ATOM 893 CB THR A 62 -9.798 2.328 -15.479 1.00 4.44 C ATOM 894 OG1 THR A 62 -9.639 3.408 -16.406 1.00 22.02 O ATOM 895 CG2 THR A 62 -11.277 2.101 -15.206 1.00 3.04 C ATOM 0 H THR A 62 -7.719 4.255 -13.990 1.00 22.14 H new ATOM 0 HA THR A 62 -9.651 3.299 -13.556 1.00 41.14 H new ATOM 0 HB THR A 62 -9.380 1.417 -15.908 1.00 4.44 H new ATOM 0 HG1 THR A 62 -10.121 3.202 -17.234 1.00 22.02 H new ATOM 0 HG21 THR A 62 -11.791 1.883 -16.142 1.00 3.04 H new ATOM 0 HG22 THR A 62 -11.396 1.260 -14.523 1.00 3.04 H new ATOM 0 HG23 THR A 62 -11.706 2.997 -14.757 1.00 3.04 H new ATOM 903 N VAL A 63 -7.710 1.303 -12.649 1.00 64.22 N ATOM 904 CA VAL A 63 -7.359 0.117 -11.877 1.00 1.14 C ATOM 905 C VAL A 63 -7.229 0.446 -10.394 1.00 12.04 C ATOM 906 O VAL A 63 -6.257 1.068 -9.968 1.00 62.12 O ATOM 907 CB VAL A 63 -6.039 -0.505 -12.371 1.00 11.54 C ATOM 908 CG1 VAL A 63 -5.720 -1.771 -11.590 1.00 50.43 C ATOM 909 CG2 VAL A 63 -6.112 -0.792 -13.863 1.00 23.03 C ATOM 0 H VAL A 63 -7.062 2.083 -12.541 1.00 64.22 H new ATOM 0 HA VAL A 63 -8.166 -0.602 -12.018 1.00 1.14 H new ATOM 0 HB VAL A 63 -5.234 0.210 -12.201 1.00 11.54 H new ATOM 0 HG11 VAL A 63 -4.784 -2.196 -11.953 1.00 50.43 H new ATOM 0 HG12 VAL A 63 -5.623 -1.531 -10.531 1.00 50.43 H new ATOM 0 HG13 VAL A 63 -6.524 -2.494 -11.726 1.00 50.43 H new ATOM 0 HG21 VAL A 63 -5.171 -1.231 -14.196 1.00 23.03 H new ATOM 0 HG22 VAL A 63 -6.927 -1.488 -14.060 1.00 23.03 H new ATOM 0 HG23 VAL A 63 -6.290 0.137 -14.404 1.00 23.03 H new ATOM 919 N ASN A 64 -8.217 0.023 -9.611 1.00 2.41 N ATOM 920 CA ASN A 64 -8.213 0.273 -8.174 1.00 53.10 C ATOM 921 C ASN A 64 -7.054 -0.452 -7.499 1.00 24.55 C ATOM 922 O ASN A 64 -6.363 -1.259 -8.123 1.00 42.43 O ATOM 923 CB ASN A 64 -9.539 -0.174 -7.555 1.00 12.54 C ATOM 924 CG ASN A 64 -10.663 0.807 -7.826 1.00 15.43 C ATOM 925 OD1 ASN A 64 -10.485 2.020 -7.713 1.00 2.23 O ATOM 926 ND2 ASN A 64 -11.830 0.285 -8.185 1.00 52.13 N ATOM 0 H ASN A 64 -9.030 -0.494 -9.947 1.00 2.41 H new ATOM 0 HA ASN A 64 -8.088 1.344 -8.017 1.00 53.10 H new ATOM 0 HB2 ASN A 64 -9.811 -1.152 -7.952 1.00 12.54 H new ATOM 0 HB3 ASN A 64 -9.413 -0.290 -6.479 1.00 12.54 H new ATOM 0 HD21 ASN A 64 -12.624 0.896 -8.380 1.00 52.13 H new ATOM 0 HD22 ASN A 64 -11.933 -0.727 -8.266 1.00 52.13 H new ATOM 933 N LEU A 65 -6.846 -0.162 -6.219 1.00 41.52 N ATOM 934 CA LEU A 65 -5.770 -0.786 -5.457 1.00 71.53 C ATOM 935 C LEU A 65 -6.072 -0.755 -3.963 1.00 32.45 C ATOM 936 O LEU A 65 -5.161 -0.763 -3.135 1.00 1.20 O ATOM 937 CB LEU A 65 -4.443 -0.078 -5.736 1.00 32.21 C ATOM 938 CG LEU A 65 -4.509 1.444 -5.864 1.00 2.11 C ATOM 939 CD1 LEU A 65 -5.041 1.842 -7.232 1.00 1.22 C ATOM 940 CD2 LEU A 65 -5.374 2.035 -4.760 1.00 41.34 C ATOM 0 H LEU A 65 -7.409 0.502 -5.687 1.00 41.52 H new ATOM 0 HA LEU A 65 -5.692 -1.827 -5.771 1.00 71.53 H new ATOM 0 HB2 LEU A 65 -3.747 -0.325 -4.935 1.00 32.21 H new ATOM 0 HB3 LEU A 65 -4.025 -0.482 -6.658 1.00 32.21 H new ATOM 0 HG LEU A 65 -3.500 1.843 -5.760 1.00 2.11 H new ATOM 0 HD11 LEU A 65 -5.081 2.929 -7.305 1.00 1.22 H new ATOM 0 HD12 LEU A 65 -4.382 1.450 -8.007 1.00 1.22 H new ATOM 0 HD13 LEU A 65 -6.042 1.432 -7.366 1.00 1.22 H new ATOM 0 HD21 LEU A 65 -5.410 3.119 -4.867 1.00 41.34 H new ATOM 0 HD22 LEU A 65 -6.383 1.630 -4.832 1.00 41.34 H new ATOM 0 HD23 LEU A 65 -4.949 1.780 -3.789 1.00 41.34 H new ATOM 952 N TRP A 66 -7.356 -0.723 -3.625 1.00 11.34 N ATOM 953 CA TRP A 66 -7.778 -0.693 -2.229 1.00 13.12 C ATOM 954 C TRP A 66 -7.838 -2.101 -1.648 1.00 25.41 C ATOM 955 O TRP A 66 -8.121 -3.064 -2.360 1.00 42.11 O ATOM 956 CB TRP A 66 -9.145 -0.018 -2.102 1.00 41.22 C ATOM 957 CG TRP A 66 -9.225 1.299 -2.813 1.00 41.23 C ATOM 958 CD1 TRP A 66 -10.133 1.662 -3.767 1.00 21.22 C ATOM 959 CD2 TRP A 66 -8.362 2.427 -2.628 1.00 72.34 C ATOM 960 NE1 TRP A 66 -9.886 2.947 -4.186 1.00 15.11 N ATOM 961 CE2 TRP A 66 -8.806 3.439 -3.502 1.00 71.42 C ATOM 962 CE3 TRP A 66 -7.260 2.681 -1.809 1.00 25.14 C ATOM 963 CZ2 TRP A 66 -8.184 4.682 -3.578 1.00 62.21 C ATOM 964 CZ3 TRP A 66 -6.643 3.915 -1.885 1.00 41.24 C ATOM 965 CH2 TRP A 66 -7.106 4.903 -2.764 1.00 54.31 C ATOM 0 H TRP A 66 -8.123 -0.717 -4.298 1.00 11.34 H new ATOM 0 HA TRP A 66 -7.043 -0.118 -1.666 1.00 13.12 H new ATOM 0 HB2 TRP A 66 -9.910 -0.685 -2.500 1.00 41.22 H new ATOM 0 HB3 TRP A 66 -9.371 0.133 -1.046 1.00 41.22 H new ATOM 0 HD1 TRP A 66 -10.928 1.032 -4.137 1.00 21.22 H new ATOM 0 HE1 TRP A 66 -10.420 3.453 -4.892 1.00 15.11 H new ATOM 0 HE3 TRP A 66 -6.896 1.926 -1.128 1.00 25.14 H new ATOM 0 HZ2 TRP A 66 -8.539 5.445 -4.255 1.00 62.21 H new ATOM 0 HZ3 TRP A 66 -5.789 4.121 -1.256 1.00 41.24 H new ATOM 0 HH2 TRP A 66 -6.602 5.858 -2.800 1.00 54.31 H new ATOM 976 N GLU A 67 -7.569 -2.214 -0.351 1.00 3.12 N ATOM 977 CA GLU A 67 -7.591 -3.506 0.324 1.00 35.30 C ATOM 978 C GLU A 67 -8.645 -3.525 1.428 1.00 73.45 C ATOM 979 O GLU A 67 -8.383 -3.119 2.559 1.00 4.34 O ATOM 980 CB GLU A 67 -6.215 -3.824 0.913 1.00 52.35 C ATOM 981 CG GLU A 67 -6.179 -5.113 1.716 1.00 14.43 C ATOM 982 CD GLU A 67 -6.641 -6.313 0.914 1.00 35.50 C ATOM 983 OE1 GLU A 67 -6.110 -6.524 -0.197 1.00 34.14 O ATOM 984 OE2 GLU A 67 -7.534 -7.042 1.396 1.00 24.10 O ATOM 0 H GLU A 67 -7.333 -1.426 0.253 1.00 3.12 H new ATOM 0 HA GLU A 67 -7.847 -4.267 -0.413 1.00 35.30 H new ATOM 0 HB2 GLU A 67 -5.489 -3.890 0.103 1.00 52.35 H new ATOM 0 HB3 GLU A 67 -5.904 -2.998 1.553 1.00 52.35 H new ATOM 0 HG2 GLU A 67 -5.163 -5.287 2.071 1.00 14.43 H new ATOM 0 HG3 GLU A 67 -6.811 -5.005 2.598 1.00 14.43 H new ATOM 991 N VAL A 68 -9.840 -4.000 1.089 1.00 62.41 N ATOM 992 CA VAL A 68 -10.934 -4.074 2.050 1.00 41.42 C ATOM 993 C VAL A 68 -11.512 -5.483 2.119 1.00 44.33 C ATOM 994 O VAL A 68 -12.717 -5.662 2.291 1.00 4.11 O ATOM 995 CB VAL A 68 -12.061 -3.086 1.694 1.00 44.43 C ATOM 996 CG1 VAL A 68 -11.591 -1.651 1.878 1.00 2.31 C ATOM 997 CG2 VAL A 68 -12.543 -3.319 0.270 1.00 43.42 C ATOM 0 H VAL A 68 -10.075 -4.339 0.156 1.00 62.41 H new ATOM 0 HA VAL A 68 -10.519 -3.807 3.022 1.00 41.42 H new ATOM 0 HB VAL A 68 -12.899 -3.258 2.370 1.00 44.43 H new ATOM 0 HG11 VAL A 68 -12.400 -0.967 1.622 1.00 2.31 H new ATOM 0 HG12 VAL A 68 -11.299 -1.494 2.916 1.00 2.31 H new ATOM 0 HG13 VAL A 68 -10.737 -1.462 1.228 1.00 2.31 H new ATOM 0 HG21 VAL A 68 -13.339 -2.613 0.035 1.00 43.42 H new ATOM 0 HG22 VAL A 68 -11.714 -3.175 -0.423 1.00 43.42 H new ATOM 0 HG23 VAL A 68 -12.922 -4.337 0.176 1.00 43.42 H new ATOM 1007 N GLU A 69 -10.643 -6.480 1.983 1.00 2.11 N ATOM 1008 CA GLU A 69 -11.068 -7.874 2.030 1.00 42.02 C ATOM 1009 C GLU A 69 -10.413 -8.604 3.199 1.00 1.52 C ATOM 1010 O GLU A 69 -9.205 -8.843 3.198 1.00 1.33 O ATOM 1011 CB GLU A 69 -10.723 -8.580 0.717 1.00 41.33 C ATOM 1012 CG GLU A 69 -11.656 -9.731 0.381 1.00 52.31 C ATOM 1013 CD GLU A 69 -13.011 -9.259 -0.110 1.00 12.01 C ATOM 1014 OE1 GLU A 69 -13.187 -8.035 -0.284 1.00 23.00 O ATOM 1015 OE2 GLU A 69 -13.896 -10.115 -0.320 1.00 52.22 O ATOM 0 H GLU A 69 -9.642 -6.348 1.840 1.00 2.11 H new ATOM 0 HA GLU A 69 -12.149 -7.893 2.172 1.00 42.02 H new ATOM 0 HB2 GLU A 69 -10.750 -7.853 -0.095 1.00 41.33 H new ATOM 0 HB3 GLU A 69 -9.702 -8.956 0.774 1.00 41.33 H new ATOM 0 HG2 GLU A 69 -11.195 -10.357 -0.383 1.00 52.31 H new ATOM 0 HG3 GLU A 69 -11.791 -10.354 1.265 1.00 52.31 H new ATOM 1022 N HIS A 70 -11.219 -8.954 4.196 1.00 20.24 N ATOM 1023 CA HIS A 70 -10.719 -9.657 5.373 1.00 42.42 C ATOM 1024 C HIS A 70 -10.566 -11.148 5.091 1.00 72.31 C ATOM 1025 O HIS A 70 -11.385 -11.745 4.392 1.00 74.41 O ATOM 1026 CB HIS A 70 -11.660 -9.443 6.559 1.00 71.53 C ATOM 1027 CG HIS A 70 -11.125 -9.978 7.851 1.00 34.15 C ATOM 1028 ND1 HIS A 70 -11.572 -11.150 8.424 1.00 75.45 N ATOM 1029 CD2 HIS A 70 -10.174 -9.494 8.684 1.00 63.34 C ATOM 1030 CE1 HIS A 70 -10.920 -11.364 9.552 1.00 13.34 C ATOM 1031 NE2 HIS A 70 -10.065 -10.373 9.733 1.00 71.30 N ATOM 0 H HIS A 70 -12.221 -8.763 4.213 1.00 20.24 H new ATOM 0 HA HIS A 70 -9.738 -9.250 5.620 1.00 42.42 H new ATOM 0 HB2 HIS A 70 -11.855 -8.376 6.670 1.00 71.53 H new ATOM 0 HB3 HIS A 70 -12.616 -9.921 6.345 1.00 71.53 H new ATOM 0 HD2 HIS A 70 -9.606 -8.585 8.549 1.00 63.34 H new ATOM 0 HE1 HIS A 70 -11.061 -12.206 10.214 1.00 13.34 H new ATOM 0 HE2 HIS A 70 -9.428 -10.277 10.524 1.00 71.30 H new ATOM 1039 N HIS A 71 -9.512 -11.744 5.639 1.00 62.33 N ATOM 1040 CA HIS A 71 -9.252 -13.167 5.446 1.00 42.41 C ATOM 1041 C HIS A 71 -8.489 -13.745 6.634 1.00 70.43 C ATOM 1042 O HIS A 71 -8.232 -13.050 7.617 1.00 52.10 O ATOM 1043 CB HIS A 71 -8.460 -13.392 4.158 1.00 42.34 C ATOM 1044 CG HIS A 71 -8.543 -14.795 3.640 1.00 15.24 C ATOM 1045 ND1 HIS A 71 -9.733 -15.397 3.288 1.00 23.43 N ATOM 1046 CD2 HIS A 71 -7.576 -15.714 3.415 1.00 72.32 C ATOM 1047 CE1 HIS A 71 -9.494 -16.628 2.870 1.00 5.52 C ATOM 1048 NE2 HIS A 71 -8.192 -16.845 2.937 1.00 53.43 N ATOM 0 H HIS A 71 -8.824 -11.265 6.220 1.00 62.33 H new ATOM 0 HA HIS A 71 -10.211 -13.680 5.368 1.00 42.41 H new ATOM 0 HB2 HIS A 71 -8.826 -12.709 3.392 1.00 42.34 H new ATOM 0 HB3 HIS A 71 -7.414 -13.141 4.336 1.00 42.34 H new ATOM 0 HD2 HIS A 71 -6.517 -15.583 3.580 1.00 72.32 H new ATOM 0 HE1 HIS A 71 -10.236 -17.336 2.531 1.00 5.52 H new ATOM 0 HE2 HIS A 71 -7.721 -17.711 2.676 1.00 53.43 H new TER 1056 HIS A 71