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 Set 1.1: A 1 MET CE :methyl -135:sc= -0.317 (180deg=-2.53!) USER MOD Set 1.2: A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.102) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 7 GLN : amide:sc= -0.0029 K(o=-0.0029,f=-1.3) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 88:sc= -0.175 USER MOD Single : A 19 TYR OH : rot -59:sc= 0.734 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00938 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.852 X(o=-0.85,f=-1) USER MOD Single : A 47 THR OG1 : rot -160:sc= -0.778 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.21) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.868 2.187 2.844 1.00 41.54 N ATOM 2 CA MET A 1 2.535 1.928 1.573 1.00 73.31 C ATOM 3 C MET A 1 3.545 0.793 1.711 1.00 73.13 C ATOM 4 O MET A 1 4.739 1.030 1.893 1.00 61.41 O ATOM 5 CB MET A 1 3.236 3.192 1.073 1.00 52.15 C ATOM 6 CG MET A 1 3.367 3.256 -0.441 1.00 13.14 C ATOM 7 SD MET A 1 4.760 2.293 -1.059 1.00 31.34 S ATOM 8 CE MET A 1 3.939 0.769 -1.521 1.00 45.33 C ATOM 0 H1 MET A 1 1.186 2.963 2.726 1.00 41.54 H new ATOM 0 H2 MET A 1 1.368 1.330 3.154 1.00 41.54 H new ATOM 0 H3 MET A 1 2.575 2.453 3.559 1.00 41.54 H new ATOM 0 HA MET A 1 1.778 1.631 0.848 1.00 73.31 H new ATOM 0 HB2 MET A 1 2.683 4.065 1.419 1.00 52.15 H new ATOM 0 HB3 MET A 1 4.229 3.247 1.518 1.00 52.15 H new ATOM 0 HG2 MET A 1 2.447 2.891 -0.897 1.00 13.14 H new ATOM 0 HG3 MET A 1 3.484 4.295 -0.748 1.00 13.14 H new ATOM 0 HE1 MET A 1 4.522 -0.081 -1.165 1.00 45.33 H new ATOM 0 HE2 MET A 1 2.946 0.741 -1.073 1.00 45.33 H new ATOM 0 HE3 MET A 1 3.850 0.718 -2.606 1.00 45.33 H new ATOM 18 N LYS A 2 3.058 -0.440 1.623 1.00 71.30 N ATOM 19 CA LYS A 2 3.917 -1.613 1.737 1.00 44.52 C ATOM 20 C LYS A 2 3.684 -2.573 0.575 1.00 22.11 C ATOM 21 O LYS A 2 2.585 -2.642 0.024 1.00 62.44 O ATOM 22 CB LYS A 2 3.663 -2.330 3.065 1.00 41.15 C ATOM 23 CG LYS A 2 2.287 -2.966 3.158 1.00 21.23 C ATOM 24 CD LYS A 2 1.859 -3.158 4.603 1.00 32.24 C ATOM 25 CE LYS A 2 0.743 -4.185 4.722 1.00 21.13 C ATOM 26 NZ LYS A 2 -0.416 -3.849 3.850 1.00 43.34 N ATOM 0 H LYS A 2 2.072 -0.653 1.473 1.00 71.30 H new ATOM 0 HA LYS A 2 4.954 -1.278 1.705 1.00 44.52 H new ATOM 0 HB2 LYS A 2 4.421 -3.101 3.203 1.00 41.15 H new ATOM 0 HB3 LYS A 2 3.781 -1.618 3.882 1.00 41.15 H new ATOM 0 HG2 LYS A 2 1.560 -2.339 2.642 1.00 21.23 H new ATOM 0 HG3 LYS A 2 2.295 -3.930 2.649 1.00 21.23 H new ATOM 0 HD2 LYS A 2 2.715 -3.478 5.198 1.00 32.24 H new ATOM 0 HD3 LYS A 2 1.524 -2.206 5.014 1.00 32.24 H new ATOM 0 HE2 LYS A 2 1.126 -5.170 4.454 1.00 21.13 H new ATOM 0 HE3 LYS A 2 0.412 -4.243 5.759 1.00 21.13 H new ATOM 0 HZ1 LYS A 2 -1.227 -4.447 4.105 1.00 43.34 H new ATOM 0 HZ2 LYS A 2 -0.669 -2.849 3.979 1.00 43.34 H new ATOM 0 HZ3 LYS A 2 -0.162 -4.016 2.855 1.00 43.34 H new ATOM 40 N THR A 3 4.725 -3.315 0.208 1.00 52.40 N ATOM 41 CA THR A 3 4.633 -4.271 -0.888 1.00 21.34 C ATOM 42 C THR A 3 5.369 -5.564 -0.552 1.00 15.30 C ATOM 43 O THR A 3 6.201 -5.599 0.354 1.00 1.43 O ATOM 44 CB THR A 3 5.210 -3.689 -2.192 1.00 25.24 C ATOM 45 OG1 THR A 3 5.084 -4.643 -3.252 1.00 61.11 O ATOM 46 CG2 THR A 3 6.673 -3.311 -2.014 1.00 63.13 C ATOM 0 H THR A 3 5.641 -3.272 0.654 1.00 52.40 H new ATOM 0 HA THR A 3 3.574 -4.485 -1.033 1.00 21.34 H new ATOM 0 HB THR A 3 4.647 -2.791 -2.444 1.00 25.24 H new ATOM 0 HG1 THR A 3 5.452 -4.265 -4.078 1.00 61.11 H new ATOM 0 HG21 THR A 3 7.059 -2.902 -2.948 1.00 63.13 H new ATOM 0 HG22 THR A 3 6.762 -2.563 -1.226 1.00 63.13 H new ATOM 0 HG23 THR A 3 7.247 -4.196 -1.741 1.00 63.13 H new ATOM 54 N PHE A 4 5.057 -6.625 -1.289 1.00 14.15 N ATOM 55 CA PHE A 4 5.688 -7.921 -1.068 1.00 43.34 C ATOM 56 C PHE A 4 7.104 -7.939 -1.637 1.00 61.10 C ATOM 57 O PHE A 4 7.376 -7.335 -2.674 1.00 11.41 O ATOM 58 CB PHE A 4 4.855 -9.033 -1.708 1.00 62.22 C ATOM 59 CG PHE A 4 3.385 -8.923 -1.420 1.00 42.42 C ATOM 60 CD1 PHE A 4 2.930 -8.765 -0.121 1.00 43.31 C ATOM 61 CD2 PHE A 4 2.458 -8.977 -2.449 1.00 3.03 C ATOM 62 CE1 PHE A 4 1.578 -8.662 0.147 1.00 23.15 C ATOM 63 CE2 PHE A 4 1.105 -8.875 -2.186 1.00 42.43 C ATOM 64 CZ PHE A 4 0.665 -8.718 -0.887 1.00 34.24 C ATOM 0 H PHE A 4 4.371 -6.613 -2.044 1.00 14.15 H new ATOM 0 HA PHE A 4 5.744 -8.092 0.007 1.00 43.34 H new ATOM 0 HB2 PHE A 4 5.008 -9.015 -2.787 1.00 62.22 H new ATOM 0 HB3 PHE A 4 5.216 -9.998 -1.351 1.00 62.22 H new ATOM 0 HD1 PHE A 4 3.640 -8.722 0.692 1.00 43.31 H new ATOM 0 HD2 PHE A 4 2.797 -9.100 -3.467 1.00 3.03 H new ATOM 0 HE1 PHE A 4 1.236 -8.538 1.164 1.00 23.15 H new ATOM 0 HE2 PHE A 4 0.392 -8.918 -2.996 1.00 42.43 H new ATOM 0 HZ PHE A 4 -0.392 -8.639 -0.680 1.00 34.24 H new ATOM 74 N ALA A 5 8.002 -8.637 -0.950 1.00 3.14 N ATOM 75 CA ALA A 5 9.390 -8.736 -1.386 1.00 14.21 C ATOM 76 C ALA A 5 9.622 -10.009 -2.192 1.00 22.43 C ATOM 77 O ALA A 5 9.735 -11.100 -1.630 1.00 40.21 O ATOM 78 CB ALA A 5 10.325 -8.690 -0.186 1.00 54.24 C ATOM 0 H ALA A 5 7.793 -9.143 -0.089 1.00 3.14 H new ATOM 0 HA ALA A 5 9.604 -7.884 -2.032 1.00 14.21 H new ATOM 0 HB1 ALA A 5 11.358 -8.765 -0.526 1.00 54.24 H new ATOM 0 HB2 ALA A 5 10.186 -7.750 0.348 1.00 54.24 H new ATOM 0 HB3 ALA A 5 10.102 -9.522 0.481 1.00 54.24 H new ATOM 84 N LEU A 6 9.692 -9.865 -3.510 1.00 43.14 N ATOM 85 CA LEU A 6 9.911 -11.005 -4.394 1.00 50.54 C ATOM 86 C LEU A 6 11.373 -11.092 -4.819 1.00 5.23 C ATOM 87 O LEU A 6 12.208 -10.307 -4.369 1.00 15.15 O ATOM 88 CB LEU A 6 9.015 -10.896 -5.630 1.00 23.13 C ATOM 89 CG LEU A 6 7.520 -11.114 -5.396 1.00 10.23 C ATOM 90 CD1 LEU A 6 6.737 -9.855 -5.737 1.00 65.31 C ATOM 91 CD2 LEU A 6 7.018 -12.295 -6.214 1.00 44.53 C ATOM 0 H LEU A 6 9.600 -8.970 -3.991 1.00 43.14 H new ATOM 0 HA LEU A 6 9.656 -11.912 -3.846 1.00 50.54 H new ATOM 0 HB2 LEU A 6 9.153 -9.908 -6.068 1.00 23.13 H new ATOM 0 HB3 LEU A 6 9.357 -11.623 -6.367 1.00 23.13 H new ATOM 0 HG LEU A 6 7.366 -11.338 -4.340 1.00 10.23 H new ATOM 0 HD11 LEU A 6 5.675 -10.029 -5.564 1.00 65.31 H new ATOM 0 HD12 LEU A 6 7.077 -9.033 -5.107 1.00 65.31 H new ATOM 0 HD13 LEU A 6 6.897 -9.599 -6.784 1.00 65.31 H new ATOM 0 HD21 LEU A 6 5.952 -12.435 -6.035 1.00 44.53 H new ATOM 0 HD22 LEU A 6 7.185 -12.101 -7.273 1.00 44.53 H new ATOM 0 HD23 LEU A 6 7.557 -13.196 -5.921 1.00 44.53 H new ATOM 103 N GLN A 7 11.676 -12.050 -5.689 1.00 13.01 N ATOM 104 CA GLN A 7 13.037 -12.238 -6.175 1.00 25.01 C ATOM 105 C GLN A 7 13.609 -10.930 -6.712 1.00 62.20 C ATOM 106 O GLN A 7 13.084 -10.356 -7.665 1.00 34.13 O ATOM 107 CB GLN A 7 13.068 -13.309 -7.267 1.00 44.41 C ATOM 108 CG GLN A 7 14.382 -14.071 -7.335 1.00 12.12 C ATOM 109 CD GLN A 7 14.322 -15.253 -8.282 1.00 23.11 C ATOM 110 OE1 GLN A 7 13.247 -15.648 -8.733 1.00 71.40 O ATOM 111 NE2 GLN A 7 15.481 -15.825 -8.589 1.00 52.20 N ATOM 0 H GLN A 7 10.997 -12.708 -6.072 1.00 13.01 H new ATOM 0 HA GLN A 7 13.653 -12.566 -5.337 1.00 25.01 H new ATOM 0 HB2 GLN A 7 12.256 -14.016 -7.094 1.00 44.41 H new ATOM 0 HB3 GLN A 7 12.880 -12.838 -8.232 1.00 44.41 H new ATOM 0 HG2 GLN A 7 15.174 -13.394 -7.655 1.00 12.12 H new ATOM 0 HG3 GLN A 7 14.646 -14.422 -6.338 1.00 12.12 H new ATOM 0 HE21 GLN A 7 16.349 -15.465 -8.192 1.00 52.20 H new ATOM 0 HE22 GLN A 7 15.503 -16.625 -9.222 1.00 52.20 H new ATOM 120 N GLY A 8 14.690 -10.464 -6.093 1.00 50.04 N ATOM 121 CA GLY A 8 15.315 -9.227 -6.523 1.00 51.41 C ATOM 122 C GLY A 8 14.481 -8.007 -6.183 1.00 71.40 C ATOM 123 O GLY A 8 14.624 -6.956 -6.807 1.00 12.42 O ATOM 0 H GLY A 8 15.144 -10.921 -5.302 1.00 50.04 H new ATOM 0 HA2 GLY A 8 16.294 -9.136 -6.053 1.00 51.41 H new ATOM 0 HA3 GLY A 8 15.480 -9.262 -7.600 1.00 51.41 H new ATOM 127 N ASP A 9 13.607 -8.148 -5.193 1.00 32.13 N ATOM 128 CA ASP A 9 12.746 -7.049 -4.771 1.00 73.21 C ATOM 129 C ASP A 9 12.886 -6.793 -3.274 1.00 14.02 C ATOM 130 O ASP A 9 11.970 -6.275 -2.633 1.00 23.43 O ATOM 131 CB ASP A 9 11.287 -7.355 -5.115 1.00 21.44 C ATOM 132 CG ASP A 9 10.945 -7.008 -6.550 1.00 41.30 C ATOM 133 OD1 ASP A 9 11.294 -7.799 -7.452 1.00 14.33 O ATOM 134 OD2 ASP A 9 10.328 -5.945 -6.772 1.00 22.12 O ATOM 0 H ASP A 9 13.476 -9.012 -4.668 1.00 32.13 H new ATOM 0 HA ASP A 9 13.056 -6.151 -5.305 1.00 73.21 H new ATOM 0 HB2 ASP A 9 11.091 -8.413 -4.944 1.00 21.44 H new ATOM 0 HB3 ASP A 9 10.634 -6.797 -4.444 1.00 21.44 H new ATOM 139 N THR A 10 14.038 -7.160 -2.721 1.00 13.33 N ATOM 140 CA THR A 10 14.297 -6.972 -1.299 1.00 10.01 C ATOM 141 C THR A 10 14.482 -5.496 -0.964 1.00 64.40 C ATOM 142 O THR A 10 14.432 -4.638 -1.846 1.00 2.11 O ATOM 143 CB THR A 10 15.548 -7.750 -0.848 1.00 74.14 C ATOM 144 OG1 THR A 10 16.729 -7.104 -1.336 1.00 12.43 O ATOM 145 CG2 THR A 10 15.504 -9.184 -1.353 1.00 75.51 C ATOM 0 H THR A 10 14.806 -7.589 -3.237 1.00 13.33 H new ATOM 0 HA THR A 10 13.427 -7.356 -0.766 1.00 10.01 H new ATOM 0 HB THR A 10 15.566 -7.765 0.242 1.00 74.14 H new ATOM 0 HG1 THR A 10 17.520 -7.604 -1.044 1.00 12.43 H new ATOM 0 HG21 THR A 10 16.397 -9.714 -1.022 1.00 75.51 H new ATOM 0 HG22 THR A 10 14.619 -9.682 -0.957 1.00 75.51 H new ATOM 0 HG23 THR A 10 15.464 -9.185 -2.442 1.00 75.51 H new ATOM 153 N LEU A 11 14.698 -5.207 0.315 1.00 74.44 N ATOM 154 CA LEU A 11 14.892 -3.834 0.766 1.00 13.13 C ATOM 155 C LEU A 11 15.936 -3.122 -0.088 1.00 74.12 C ATOM 156 O LEU A 11 15.729 -1.989 -0.523 1.00 14.12 O ATOM 157 CB LEU A 11 15.319 -3.815 2.235 1.00 42.11 C ATOM 158 CG LEU A 11 14.389 -4.531 3.214 1.00 34.32 C ATOM 159 CD1 LEU A 11 14.918 -4.415 4.635 1.00 32.53 C ATOM 160 CD2 LEU A 11 12.979 -3.966 3.120 1.00 33.44 C ATOM 0 H LEU A 11 14.743 -5.905 1.057 1.00 74.44 H new ATOM 0 HA LEU A 11 13.944 -3.306 0.662 1.00 13.13 H new ATOM 0 HB2 LEU A 11 16.309 -4.265 2.311 1.00 42.11 H new ATOM 0 HB3 LEU A 11 15.416 -2.776 2.551 1.00 42.11 H new ATOM 0 HG LEU A 11 14.355 -5.587 2.946 1.00 34.32 H new ATOM 0 HD11 LEU A 11 14.243 -4.931 5.318 1.00 32.53 H new ATOM 0 HD12 LEU A 11 15.908 -4.868 4.693 1.00 32.53 H new ATOM 0 HD13 LEU A 11 14.983 -3.363 4.914 1.00 32.53 H new ATOM 0 HD21 LEU A 11 12.330 -4.487 3.824 1.00 33.44 H new ATOM 0 HD22 LEU A 11 12.996 -2.903 3.361 1.00 33.44 H new ATOM 0 HD23 LEU A 11 12.599 -4.102 2.107 1.00 33.44 H new ATOM 172 N ASP A 12 17.056 -3.795 -0.327 1.00 11.22 N ATOM 173 CA ASP A 12 18.131 -3.228 -1.132 1.00 62.25 C ATOM 174 C ASP A 12 17.609 -2.768 -2.490 1.00 14.44 C ATOM 175 O ASP A 12 18.106 -1.798 -3.061 1.00 1.32 O ATOM 176 CB ASP A 12 19.249 -4.254 -1.324 1.00 71.51 C ATOM 177 CG ASP A 12 20.257 -3.824 -2.371 1.00 40.13 C ATOM 178 OD1 ASP A 12 21.228 -3.127 -2.009 1.00 33.32 O ATOM 179 OD2 ASP A 12 20.075 -4.183 -3.554 1.00 12.22 O ATOM 0 H ASP A 12 17.243 -4.734 0.025 1.00 11.22 H new ATOM 0 HA ASP A 12 18.529 -2.362 -0.603 1.00 62.25 H new ATOM 0 HB2 ASP A 12 19.761 -4.411 -0.374 1.00 71.51 H new ATOM 0 HB3 ASP A 12 18.814 -5.211 -1.614 1.00 71.51 H new ATOM 184 N ALA A 13 16.603 -3.471 -3.000 1.00 41.35 N ATOM 185 CA ALA A 13 16.013 -3.133 -4.290 1.00 34.53 C ATOM 186 C ALA A 13 14.904 -2.098 -4.132 1.00 30.41 C ATOM 187 O ALA A 13 14.953 -1.026 -4.735 1.00 1.11 O ATOM 188 CB ALA A 13 15.476 -4.385 -4.968 1.00 71.20 C ATOM 0 H ALA A 13 16.180 -4.277 -2.540 1.00 41.35 H new ATOM 0 HA ALA A 13 16.793 -2.699 -4.916 1.00 34.53 H new ATOM 0 HB1 ALA A 13 15.038 -4.119 -5.930 1.00 71.20 H new ATOM 0 HB2 ALA A 13 16.291 -5.092 -5.123 1.00 71.20 H new ATOM 0 HB3 ALA A 13 14.714 -4.842 -4.337 1.00 71.20 H new ATOM 194 N ILE A 14 13.906 -2.427 -3.319 1.00 13.22 N ATOM 195 CA ILE A 14 12.786 -1.525 -3.082 1.00 55.23 C ATOM 196 C ILE A 14 13.273 -0.140 -2.670 1.00 54.34 C ATOM 197 O ILE A 14 12.616 0.867 -2.942 1.00 64.54 O ATOM 198 CB ILE A 14 11.844 -2.070 -1.993 1.00 33.43 C ATOM 199 CG1 ILE A 14 11.203 -3.382 -2.452 1.00 13.41 C ATOM 200 CG2 ILE A 14 10.775 -1.042 -1.653 1.00 72.41 C ATOM 201 CD1 ILE A 14 10.506 -4.135 -1.341 1.00 24.55 C ATOM 0 H ILE A 14 13.850 -3.311 -2.814 1.00 13.22 H new ATOM 0 HA ILE A 14 12.238 -1.451 -4.021 1.00 55.23 H new ATOM 0 HB ILE A 14 12.428 -2.268 -1.094 1.00 33.43 H new ATOM 0 HG12 ILE A 14 10.483 -3.168 -3.242 1.00 13.41 H new ATOM 0 HG13 ILE A 14 11.972 -4.021 -2.886 1.00 13.41 H new ATOM 0 HG21 ILE A 14 10.117 -1.443 -0.882 1.00 72.41 H new ATOM 0 HG22 ILE A 14 11.249 -0.131 -1.288 1.00 72.41 H new ATOM 0 HG23 ILE A 14 10.192 -0.815 -2.545 1.00 72.41 H new ATOM 0 HD11 ILE A 14 10.075 -5.054 -1.739 1.00 24.55 H new ATOM 0 HD12 ILE A 14 11.226 -4.380 -0.560 1.00 24.55 H new ATOM 0 HD13 ILE A 14 9.714 -3.515 -0.922 1.00 24.55 H new ATOM 213 N CYS A 15 14.427 -0.095 -2.015 1.00 61.41 N ATOM 214 CA CYS A 15 15.004 1.167 -1.566 1.00 53.03 C ATOM 215 C CYS A 15 15.600 1.940 -2.738 1.00 62.53 C ATOM 216 O CYS A 15 15.599 3.171 -2.749 1.00 25.40 O ATOM 217 CB CYS A 15 16.078 0.913 -0.507 1.00 53.35 C ATOM 218 SG CYS A 15 15.422 0.584 1.145 1.00 11.11 S ATOM 0 H CYS A 15 14.982 -0.918 -1.783 1.00 61.41 H new ATOM 0 HA CYS A 15 14.207 1.767 -1.127 1.00 53.03 H new ATOM 0 HB2 CYS A 15 16.688 0.065 -0.820 1.00 53.35 H new ATOM 0 HB3 CYS A 15 16.737 1.780 -0.459 1.00 53.35 H new ATOM 0 HG CYS A 15 15.192 -0.689 1.275 1.00 11.11 H new ATOM 224 N VAL A 16 16.111 1.208 -3.724 1.00 14.10 N ATOM 225 CA VAL A 16 16.711 1.824 -4.901 1.00 4.20 C ATOM 226 C VAL A 16 15.657 2.137 -5.957 1.00 33.45 C ATOM 227 O VAL A 16 15.859 2.994 -6.817 1.00 24.15 O ATOM 228 CB VAL A 16 17.789 0.916 -5.521 1.00 65.24 C ATOM 229 CG1 VAL A 16 18.380 1.561 -6.766 1.00 74.22 C ATOM 230 CG2 VAL A 16 18.877 0.609 -4.503 1.00 62.23 C ATOM 0 H VAL A 16 16.121 0.188 -3.730 1.00 14.10 H new ATOM 0 HA VAL A 16 17.175 2.753 -4.570 1.00 4.20 H new ATOM 0 HB VAL A 16 17.322 -0.024 -5.815 1.00 65.24 H new ATOM 0 HG11 VAL A 16 19.140 0.905 -7.190 1.00 74.22 H new ATOM 0 HG12 VAL A 16 17.591 1.725 -7.500 1.00 74.22 H new ATOM 0 HG13 VAL A 16 18.833 2.516 -6.501 1.00 74.22 H new ATOM 0 HG21 VAL A 16 19.630 -0.034 -4.958 1.00 62.23 H new ATOM 0 HG22 VAL A 16 19.343 1.539 -4.177 1.00 62.23 H new ATOM 0 HG23 VAL A 16 18.439 0.102 -3.644 1.00 62.23 H new ATOM 240 N ARG A 17 14.530 1.436 -5.885 1.00 32.33 N ATOM 241 CA ARG A 17 13.443 1.638 -6.835 1.00 34.32 C ATOM 242 C ARG A 17 12.523 2.766 -6.377 1.00 42.20 C ATOM 243 O ARG A 17 11.757 3.317 -7.169 1.00 25.43 O ATOM 244 CB ARG A 17 12.638 0.347 -7.004 1.00 45.30 C ATOM 245 CG ARG A 17 11.511 0.196 -5.996 1.00 20.40 C ATOM 246 CD ARG A 17 10.801 -1.140 -6.151 1.00 53.05 C ATOM 247 NE ARG A 17 10.351 -1.364 -7.523 1.00 31.34 N ATOM 248 CZ ARG A 17 9.302 -0.752 -8.062 1.00 24.15 C ATOM 249 NH1 ARG A 17 8.600 0.118 -7.349 1.00 32.42 N ATOM 250 NH2 ARG A 17 8.955 -1.009 -9.316 1.00 42.02 N ATOM 0 H ARG A 17 14.346 0.723 -5.179 1.00 32.33 H new ATOM 0 HA ARG A 17 13.880 1.915 -7.795 1.00 34.32 H new ATOM 0 HB2 ARG A 17 12.220 0.318 -8.010 1.00 45.30 H new ATOM 0 HB3 ARG A 17 13.311 -0.505 -6.914 1.00 45.30 H new ATOM 0 HG2 ARG A 17 11.911 0.282 -4.986 1.00 20.40 H new ATOM 0 HG3 ARG A 17 10.795 1.007 -6.125 1.00 20.40 H new ATOM 0 HD2 ARG A 17 11.474 -1.945 -5.854 1.00 53.05 H new ATOM 0 HD3 ARG A 17 9.944 -1.176 -5.478 1.00 53.05 H new ATOM 0 HE ARG A 17 10.871 -2.027 -8.099 1.00 31.34 H new ATOM 0 HH11 ARG A 17 8.865 0.319 -6.385 1.00 32.42 H new ATOM 0 HH12 ARG A 17 7.795 0.587 -7.765 1.00 32.42 H new ATOM 0 HH21 ARG A 17 9.494 -1.677 -9.868 1.00 42.02 H new ATOM 0 HH22 ARG A 17 8.150 -0.539 -9.729 1.00 42.02 H new ATOM 264 N TYR A 18 12.604 3.105 -5.095 1.00 43.02 N ATOM 265 CA TYR A 18 11.778 4.166 -4.531 1.00 72.42 C ATOM 266 C TYR A 18 12.612 5.408 -4.237 1.00 3.33 C ATOM 267 O TYR A 18 12.385 6.473 -4.811 1.00 50.33 O ATOM 268 CB TYR A 18 11.094 3.682 -3.251 1.00 72.14 C ATOM 269 CG TYR A 18 9.732 3.068 -3.487 1.00 65.34 C ATOM 270 CD1 TYR A 18 8.584 3.849 -3.470 1.00 53.42 C ATOM 271 CD2 TYR A 18 9.595 1.706 -3.727 1.00 14.15 C ATOM 272 CE1 TYR A 18 7.338 3.293 -3.685 1.00 33.34 C ATOM 273 CE2 TYR A 18 8.353 1.141 -3.943 1.00 52.14 C ATOM 274 CZ TYR A 18 7.227 1.938 -3.921 1.00 44.42 C ATOM 275 OH TYR A 18 5.989 1.379 -4.135 1.00 55.13 O ATOM 0 H TYR A 18 13.233 2.660 -4.427 1.00 43.02 H new ATOM 0 HA TYR A 18 11.016 4.428 -5.265 1.00 72.42 H new ATOM 0 HB2 TYR A 18 11.734 2.948 -2.762 1.00 72.14 H new ATOM 0 HB3 TYR A 18 10.990 4.522 -2.564 1.00 72.14 H new ATOM 0 HD1 TYR A 18 8.667 4.910 -3.285 1.00 53.42 H new ATOM 0 HD2 TYR A 18 10.474 1.079 -3.745 1.00 14.15 H new ATOM 0 HE1 TYR A 18 6.456 3.915 -3.668 1.00 33.34 H new ATOM 0 HE2 TYR A 18 8.264 0.081 -4.128 1.00 52.14 H new ATOM 0 HH TYR A 18 6.087 0.416 -4.286 1.00 55.13 H new ATOM 285 N TYR A 19 13.580 5.264 -3.338 1.00 34.31 N ATOM 286 CA TYR A 19 14.448 6.374 -2.964 1.00 61.25 C ATOM 287 C TYR A 19 15.653 6.460 -3.896 1.00 51.24 C ATOM 288 O TYR A 19 16.120 7.549 -4.226 1.00 41.44 O ATOM 289 CB TYR A 19 14.919 6.216 -1.518 1.00 13.14 C ATOM 290 CG TYR A 19 13.832 5.750 -0.575 1.00 3.21 C ATOM 291 CD1 TYR A 19 12.877 6.636 -0.092 1.00 71.21 C ATOM 292 CD2 TYR A 19 13.761 4.424 -0.168 1.00 32.53 C ATOM 293 CE1 TYR A 19 11.883 6.214 0.770 1.00 42.50 C ATOM 294 CE2 TYR A 19 12.770 3.993 0.693 1.00 74.10 C ATOM 295 CZ TYR A 19 11.834 4.892 1.159 1.00 14.24 C ATOM 296 OH TYR A 19 10.844 4.468 2.017 1.00 44.21 O ATOM 0 H TYR A 19 13.783 4.389 -2.855 1.00 34.31 H new ATOM 0 HA TYR A 19 13.875 7.297 -3.053 1.00 61.25 H new ATOM 0 HB2 TYR A 19 15.744 5.504 -1.489 1.00 13.14 H new ATOM 0 HB3 TYR A 19 15.310 7.171 -1.165 1.00 13.14 H new ATOM 0 HD1 TYR A 19 12.912 7.672 -0.395 1.00 71.21 H new ATOM 0 HD2 TYR A 19 14.493 3.718 -0.531 1.00 32.53 H new ATOM 0 HE1 TYR A 19 11.149 6.916 1.137 1.00 42.50 H new ATOM 0 HE2 TYR A 19 12.729 2.958 0.999 1.00 74.10 H new ATOM 0 HH TYR A 19 10.898 4.974 2.855 1.00 44.21 H new ATOM 306 N GLY A 20 16.151 5.302 -4.318 1.00 62.31 N ATOM 307 CA GLY A 20 17.297 5.267 -5.208 1.00 53.04 C ATOM 308 C GLY A 20 18.611 5.172 -4.459 1.00 32.51 C ATOM 309 O GLY A 20 19.671 5.466 -5.011 1.00 71.13 O ATOM 0 H GLY A 20 15.781 4.387 -4.059 1.00 62.31 H new ATOM 0 HA2 GLY A 20 17.204 4.415 -5.881 1.00 53.04 H new ATOM 0 HA3 GLY A 20 17.300 6.164 -5.827 1.00 53.04 H new ATOM 313 N ARG A 21 18.542 4.761 -3.197 1.00 31.41 N ATOM 314 CA ARG A 21 19.735 4.630 -2.370 1.00 3.23 C ATOM 315 C ARG A 21 19.439 3.818 -1.112 1.00 62.24 C ATOM 316 O ARG A 21 18.283 3.664 -0.717 1.00 2.03 O ATOM 317 CB ARG A 21 20.268 6.011 -1.984 1.00 13.43 C ATOM 318 CG ARG A 21 19.306 6.817 -1.126 1.00 12.02 C ATOM 319 CD ARG A 21 18.290 7.562 -1.978 1.00 33.25 C ATOM 320 NE ARG A 21 18.091 8.934 -1.518 1.00 62.22 N ATOM 321 CZ ARG A 21 17.476 9.247 -0.383 1.00 41.13 C ATOM 322 NH1 ARG A 21 17.003 8.291 0.404 1.00 54.12 N ATOM 323 NH2 ARG A 21 17.334 10.519 -0.033 1.00 42.24 N ATOM 0 H ARG A 21 17.672 4.513 -2.725 1.00 31.41 H new ATOM 0 HA ARG A 21 20.493 4.104 -2.951 1.00 3.23 H new ATOM 0 HB2 ARG A 21 21.208 5.891 -1.446 1.00 13.43 H new ATOM 0 HB3 ARG A 21 20.490 6.572 -2.892 1.00 13.43 H new ATOM 0 HG2 ARG A 21 18.786 6.151 -0.437 1.00 12.02 H new ATOM 0 HG3 ARG A 21 19.866 7.529 -0.520 1.00 12.02 H new ATOM 0 HD2 ARG A 21 18.625 7.572 -3.015 1.00 33.25 H new ATOM 0 HD3 ARG A 21 17.339 7.030 -1.955 1.00 33.25 H new ATOM 0 HE ARG A 21 18.444 9.694 -2.100 1.00 62.22 H new ATOM 0 HH11 ARG A 21 17.111 7.312 0.139 1.00 54.12 H new ATOM 0 HH12 ARG A 21 16.531 8.534 1.275 1.00 54.12 H new ATOM 0 HH21 ARG A 21 17.697 11.257 -0.636 1.00 42.24 H new ATOM 0 HH22 ARG A 21 16.862 10.758 0.839 1.00 42.24 H new ATOM 337 N THR A 22 20.492 3.299 -0.488 1.00 32.32 N ATOM 338 CA THR A 22 20.345 2.501 0.723 1.00 22.11 C ATOM 339 C THR A 22 20.961 3.208 1.925 1.00 34.12 C ATOM 340 O THR A 22 20.583 2.950 3.068 1.00 44.23 O ATOM 341 CB THR A 22 21.000 1.116 0.566 1.00 61.42 C ATOM 342 OG1 THR A 22 22.261 1.243 -0.101 1.00 20.32 O ATOM 343 CG2 THR A 22 20.098 0.176 -0.220 1.00 54.41 C ATOM 0 H THR A 22 21.456 3.417 -0.801 1.00 32.32 H new ATOM 0 HA THR A 22 19.275 2.372 0.889 1.00 22.11 H new ATOM 0 HB THR A 22 21.156 0.698 1.561 1.00 61.42 H new ATOM 0 HG1 THR A 22 22.672 0.358 -0.195 1.00 20.32 H new ATOM 0 HG21 THR A 22 20.582 -0.796 -0.318 1.00 54.41 H new ATOM 0 HG22 THR A 22 19.150 0.058 0.305 1.00 54.41 H new ATOM 0 HG23 THR A 22 19.915 0.591 -1.211 1.00 54.41 H new ATOM 351 N GLU A 23 21.909 4.100 1.659 1.00 3.53 N ATOM 352 CA GLU A 23 22.577 4.844 2.721 1.00 15.42 C ATOM 353 C GLU A 23 21.590 5.750 3.454 1.00 64.42 C ATOM 354 O GLU A 23 21.092 6.725 2.894 1.00 70.15 O ATOM 355 CB GLU A 23 23.723 5.680 2.147 1.00 74.34 C ATOM 356 CG GLU A 23 24.564 6.370 3.207 1.00 21.51 C ATOM 357 CD GLU A 23 25.413 5.397 4.002 1.00 31.43 C ATOM 358 OE1 GLU A 23 26.447 4.940 3.472 1.00 4.44 O ATOM 359 OE2 GLU A 23 25.042 5.092 5.155 1.00 20.23 O ATOM 0 H GLU A 23 22.232 4.325 0.718 1.00 3.53 H new ATOM 0 HA GLU A 23 22.983 4.125 3.433 1.00 15.42 H new ATOM 0 HB2 GLU A 23 24.366 5.036 1.548 1.00 74.34 H new ATOM 0 HB3 GLU A 23 23.311 6.433 1.475 1.00 74.34 H new ATOM 0 HG2 GLU A 23 25.211 7.106 2.730 1.00 21.51 H new ATOM 0 HG3 GLU A 23 23.909 6.915 3.887 1.00 21.51 H new ATOM 366 N GLY A 24 21.313 5.418 4.711 1.00 22.13 N ATOM 367 CA GLY A 24 20.388 6.210 5.500 1.00 34.54 C ATOM 368 C GLY A 24 18.950 5.759 5.332 1.00 40.50 C ATOM 369 O GLY A 24 18.058 6.228 6.040 1.00 61.14 O ATOM 0 H GLY A 24 21.712 4.615 5.197 1.00 22.13 H new ATOM 0 HA2 GLY A 24 20.665 6.146 6.552 1.00 34.54 H new ATOM 0 HA3 GLY A 24 20.473 7.258 5.211 1.00 34.54 H new ATOM 373 N VAL A 25 18.723 4.849 4.391 1.00 60.33 N ATOM 374 CA VAL A 25 17.383 4.336 4.131 1.00 63.53 C ATOM 375 C VAL A 25 17.191 2.959 4.758 1.00 54.42 C ATOM 376 O VAL A 25 16.244 2.736 5.513 1.00 41.22 O ATOM 377 CB VAL A 25 17.101 4.243 2.619 1.00 24.23 C ATOM 378 CG1 VAL A 25 15.641 3.900 2.368 1.00 31.34 C ATOM 379 CG2 VAL A 25 17.479 5.544 1.927 1.00 75.44 C ATOM 0 H VAL A 25 19.450 4.451 3.796 1.00 60.33 H new ATOM 0 HA VAL A 25 16.682 5.039 4.581 1.00 63.53 H new ATOM 0 HB VAL A 25 17.713 3.444 2.201 1.00 24.23 H new ATOM 0 HG11 VAL A 25 15.461 3.839 1.295 1.00 31.34 H new ATOM 0 HG12 VAL A 25 15.408 2.941 2.830 1.00 31.34 H new ATOM 0 HG13 VAL A 25 15.006 4.674 2.799 1.00 31.34 H new ATOM 0 HG21 VAL A 25 17.274 5.461 0.860 1.00 75.44 H new ATOM 0 HG22 VAL A 25 16.894 6.363 2.347 1.00 75.44 H new ATOM 0 HG23 VAL A 25 18.540 5.741 2.078 1.00 75.44 H new ATOM 389 N VAL A 26 18.095 2.039 4.441 1.00 62.55 N ATOM 390 CA VAL A 26 18.026 0.683 4.974 1.00 3.41 C ATOM 391 C VAL A 26 17.892 0.697 6.493 1.00 74.14 C ATOM 392 O VAL A 26 17.212 -0.149 7.072 1.00 21.44 O ATOM 393 CB VAL A 26 19.272 -0.136 4.587 1.00 32.14 C ATOM 394 CG1 VAL A 26 19.334 -0.335 3.081 1.00 74.13 C ATOM 395 CG2 VAL A 26 20.535 0.543 5.096 1.00 34.41 C ATOM 0 H VAL A 26 18.885 2.207 3.817 1.00 62.55 H new ATOM 0 HA VAL A 26 17.143 0.215 4.538 1.00 3.41 H new ATOM 0 HB VAL A 26 19.200 -1.117 5.056 1.00 32.14 H new ATOM 0 HG11 VAL A 26 20.221 -0.916 2.827 1.00 74.13 H new ATOM 0 HG12 VAL A 26 18.444 -0.868 2.747 1.00 74.13 H new ATOM 0 HG13 VAL A 26 19.382 0.636 2.587 1.00 74.13 H new ATOM 0 HG21 VAL A 26 21.405 -0.049 4.814 1.00 34.41 H new ATOM 0 HG22 VAL A 26 20.615 1.538 4.658 1.00 34.41 H new ATOM 0 HG23 VAL A 26 20.490 0.628 6.182 1.00 34.41 H new ATOM 405 N GLU A 27 18.544 1.664 7.131 1.00 73.04 N ATOM 406 CA GLU A 27 18.496 1.787 8.583 1.00 64.02 C ATOM 407 C GLU A 27 17.062 1.983 9.066 1.00 43.02 C ATOM 408 O GLU A 27 16.641 1.385 10.057 1.00 51.42 O ATOM 409 CB GLU A 27 19.367 2.957 9.046 1.00 32.03 C ATOM 410 CG GLU A 27 20.119 2.682 10.338 1.00 71.04 C ATOM 411 CD GLU A 27 19.361 3.149 11.565 1.00 11.20 C ATOM 412 OE1 GLU A 27 18.654 4.174 11.472 1.00 2.31 O ATOM 413 OE2 GLU A 27 19.475 2.489 12.619 1.00 71.41 O ATOM 0 H GLU A 27 19.111 2.373 6.666 1.00 73.04 H new ATOM 0 HA GLU A 27 18.882 0.863 9.014 1.00 64.02 H new ATOM 0 HB2 GLU A 27 20.085 3.197 8.262 1.00 32.03 H new ATOM 0 HB3 GLU A 27 18.737 3.836 9.182 1.00 32.03 H new ATOM 0 HG2 GLU A 27 20.313 1.613 10.421 1.00 71.04 H new ATOM 0 HG3 GLU A 27 21.088 3.180 10.303 1.00 71.04 H new ATOM 420 N THR A 28 16.316 2.826 8.359 1.00 73.33 N ATOM 421 CA THR A 28 14.930 3.103 8.715 1.00 70.11 C ATOM 422 C THR A 28 14.048 1.881 8.485 1.00 22.10 C ATOM 423 O THR A 28 13.381 1.402 9.403 1.00 44.44 O ATOM 424 CB THR A 28 14.368 4.287 7.906 1.00 71.03 C ATOM 425 OG1 THR A 28 15.394 5.261 7.686 1.00 1.32 O ATOM 426 CG2 THR A 28 13.197 4.931 8.632 1.00 53.21 C ATOM 0 H THR A 28 16.649 3.329 7.536 1.00 73.33 H new ATOM 0 HA THR A 28 14.921 3.360 9.774 1.00 70.11 H new ATOM 0 HB THR A 28 14.016 3.908 6.946 1.00 71.03 H new ATOM 0 HG1 THR A 28 15.029 6.010 7.170 1.00 1.32 H new ATOM 0 HG21 THR A 28 12.817 5.765 8.042 1.00 53.21 H new ATOM 0 HG22 THR A 28 12.406 4.194 8.771 1.00 53.21 H new ATOM 0 HG23 THR A 28 13.528 5.296 9.604 1.00 53.21 H new ATOM 434 N VAL A 29 14.050 1.379 7.254 1.00 35.11 N ATOM 435 CA VAL A 29 13.251 0.211 6.904 1.00 34.40 C ATOM 436 C VAL A 29 13.505 -0.939 7.873 1.00 74.15 C ATOM 437 O VAL A 29 12.579 -1.651 8.265 1.00 1.32 O ATOM 438 CB VAL A 29 13.550 -0.265 5.470 1.00 2.10 C ATOM 439 CG1 VAL A 29 12.617 -1.401 5.078 1.00 4.21 C ATOM 440 CG2 VAL A 29 13.435 0.893 4.490 1.00 33.11 C ATOM 0 H VAL A 29 14.596 1.763 6.483 1.00 35.11 H new ATOM 0 HA VAL A 29 12.205 0.512 6.968 1.00 34.40 H new ATOM 0 HB VAL A 29 14.573 -0.640 5.436 1.00 2.10 H new ATOM 0 HG11 VAL A 29 12.844 -1.724 4.062 1.00 4.21 H new ATOM 0 HG12 VAL A 29 12.754 -2.237 5.763 1.00 4.21 H new ATOM 0 HG13 VAL A 29 11.584 -1.057 5.128 1.00 4.21 H new ATOM 0 HG21 VAL A 29 13.649 0.539 3.482 1.00 33.11 H new ATOM 0 HG22 VAL A 29 12.424 1.300 4.524 1.00 33.11 H new ATOM 0 HG23 VAL A 29 14.149 1.671 4.761 1.00 33.11 H new ATOM 450 N LEU A 30 14.764 -1.116 8.255 1.00 45.50 N ATOM 451 CA LEU A 30 15.142 -2.179 9.179 1.00 34.42 C ATOM 452 C LEU A 30 14.528 -1.947 10.556 1.00 22.23 C ATOM 453 O LEU A 30 14.022 -2.876 11.186 1.00 40.42 O ATOM 454 CB LEU A 30 16.664 -2.266 9.295 1.00 45.44 C ATOM 455 CG LEU A 30 17.350 -3.283 8.382 1.00 22.11 C ATOM 456 CD1 LEU A 30 18.848 -3.024 8.324 1.00 54.44 C ATOM 457 CD2 LEU A 30 17.071 -4.701 8.860 1.00 40.25 C ATOM 0 H LEU A 30 15.542 -0.536 7.939 1.00 45.50 H new ATOM 0 HA LEU A 30 14.761 -3.121 8.785 1.00 34.42 H new ATOM 0 HB2 LEU A 30 17.081 -1.281 9.086 1.00 45.44 H new ATOM 0 HB3 LEU A 30 16.916 -2.507 10.328 1.00 45.44 H new ATOM 0 HG LEU A 30 16.944 -3.172 7.377 1.00 22.11 H new ATOM 0 HD11 LEU A 30 19.319 -3.758 7.670 1.00 54.44 H new ATOM 0 HD12 LEU A 30 19.029 -2.022 7.935 1.00 54.44 H new ATOM 0 HD13 LEU A 30 19.271 -3.107 9.325 1.00 54.44 H new ATOM 0 HD21 LEU A 30 17.567 -5.412 8.199 1.00 40.25 H new ATOM 0 HD22 LEU A 30 17.450 -4.824 9.875 1.00 40.25 H new ATOM 0 HD23 LEU A 30 15.996 -4.884 8.849 1.00 40.25 H new ATOM 469 N ALA A 31 14.576 -0.701 11.017 1.00 34.50 N ATOM 470 CA ALA A 31 14.021 -0.346 12.317 1.00 31.33 C ATOM 471 C ALA A 31 12.515 -0.584 12.355 1.00 21.24 C ATOM 472 O ALA A 31 11.964 -0.971 13.385 1.00 22.25 O ATOM 473 CB ALA A 31 14.336 1.105 12.647 1.00 3.11 C ATOM 0 H ALA A 31 14.994 0.079 10.509 1.00 34.50 H new ATOM 0 HA ALA A 31 14.483 -0.987 13.068 1.00 31.33 H new ATOM 0 HB1 ALA A 31 13.915 1.356 13.621 1.00 3.11 H new ATOM 0 HB2 ALA A 31 15.417 1.246 12.671 1.00 3.11 H new ATOM 0 HB3 ALA A 31 13.902 1.754 11.886 1.00 3.11 H new ATOM 479 N ALA A 32 11.855 -0.350 11.226 1.00 11.40 N ATOM 480 CA ALA A 32 10.413 -0.540 11.130 1.00 10.25 C ATOM 481 C ALA A 32 10.062 -2.017 10.985 1.00 5.32 C ATOM 482 O ALA A 32 8.993 -2.455 11.407 1.00 41.21 O ATOM 483 CB ALA A 32 9.852 0.255 9.961 1.00 41.33 C ATOM 0 H ALA A 32 12.296 -0.028 10.364 1.00 11.40 H new ATOM 0 HA ALA A 32 9.962 -0.175 12.053 1.00 10.25 H new ATOM 0 HB1 ALA A 32 8.774 0.103 9.902 1.00 41.33 H new ATOM 0 HB2 ALA A 32 10.062 1.315 10.107 1.00 41.33 H new ATOM 0 HB3 ALA A 32 10.317 -0.082 9.035 1.00 41.33 H new ATOM 489 N ASN A 33 10.971 -2.779 10.385 1.00 75.41 N ATOM 490 CA ASN A 33 10.756 -4.208 10.183 1.00 40.31 C ATOM 491 C ASN A 33 11.857 -5.023 10.855 1.00 75.45 C ATOM 492 O ASN A 33 12.733 -5.587 10.199 1.00 24.25 O ATOM 493 CB ASN A 33 10.706 -4.531 8.688 1.00 3.32 C ATOM 494 CG ASN A 33 9.461 -3.981 8.019 1.00 22.40 C ATOM 495 OD1 ASN A 33 8.379 -4.557 8.129 1.00 34.03 O ATOM 496 ND2 ASN A 33 9.610 -2.862 7.320 1.00 22.20 N ATOM 0 H ASN A 33 11.862 -2.432 10.031 1.00 75.41 H new ATOM 0 HA ASN A 33 9.802 -4.475 10.637 1.00 40.31 H new ATOM 0 HB2 ASN A 33 11.589 -4.119 8.200 1.00 3.32 H new ATOM 0 HB3 ASN A 33 10.741 -5.612 8.551 1.00 3.32 H new ATOM 0 HD21 ASN A 33 8.808 -2.446 6.847 1.00 22.20 H new ATOM 0 HD22 ASN A 33 10.526 -2.419 7.256 1.00 22.20 H new ATOM 503 N PRO A 34 11.811 -5.089 12.193 1.00 31.24 N ATOM 504 CA PRO A 34 12.796 -5.834 12.983 1.00 34.34 C ATOM 505 C PRO A 34 12.659 -7.343 12.807 1.00 52.31 C ATOM 506 O PRO A 34 11.579 -7.846 12.501 1.00 71.33 O ATOM 507 CB PRO A 34 12.471 -5.433 14.425 1.00 41.05 C ATOM 508 CG PRO A 34 11.033 -5.046 14.395 1.00 12.13 C ATOM 509 CD PRO A 34 10.794 -4.442 13.039 1.00 1.32 C ATOM 0 HA PRO A 34 13.818 -5.604 12.682 1.00 34.34 H new ATOM 0 HB2 PRO A 34 12.644 -6.259 15.114 1.00 41.05 H new ATOM 0 HB3 PRO A 34 13.097 -4.605 14.756 1.00 41.05 H new ATOM 0 HG2 PRO A 34 10.392 -5.913 14.554 1.00 12.13 H new ATOM 0 HG3 PRO A 34 10.805 -4.332 15.186 1.00 12.13 H new ATOM 0 HD2 PRO A 34 9.785 -4.645 12.681 1.00 1.32 H new ATOM 0 HD3 PRO A 34 10.914 -3.359 13.055 1.00 1.32 H new ATOM 517 N GLY A 35 13.762 -8.059 13.003 1.00 75.54 N ATOM 518 CA GLY A 35 13.742 -9.504 12.861 1.00 45.42 C ATOM 519 C GLY A 35 14.130 -9.954 11.466 1.00 34.33 C ATOM 520 O GLY A 35 14.563 -11.091 11.271 1.00 41.31 O ATOM 0 H GLY A 35 14.668 -7.665 13.257 1.00 75.54 H new ATOM 0 HA2 GLY A 35 14.425 -9.947 13.586 1.00 45.42 H new ATOM 0 HA3 GLY A 35 12.744 -9.875 13.095 1.00 45.42 H new ATOM 524 N LEU A 36 13.972 -9.064 10.493 1.00 1.44 N ATOM 525 CA LEU A 36 14.307 -9.376 9.108 1.00 31.24 C ATOM 526 C LEU A 36 15.789 -9.706 8.968 1.00 45.14 C ATOM 527 O LEU A 36 16.187 -10.454 8.075 1.00 20.01 O ATOM 528 CB LEU A 36 13.945 -8.201 8.198 1.00 23.20 C ATOM 529 CG LEU A 36 13.440 -8.565 6.802 1.00 52.15 C ATOM 530 CD1 LEU A 36 14.523 -9.284 6.013 1.00 73.55 C ATOM 531 CD2 LEU A 36 12.186 -9.422 6.895 1.00 62.53 C ATOM 0 H LEU A 36 13.614 -8.120 10.637 1.00 1.44 H new ATOM 0 HA LEU A 36 13.730 -10.250 8.808 1.00 31.24 H new ATOM 0 HB2 LEU A 36 13.180 -7.604 8.695 1.00 23.20 H new ATOM 0 HB3 LEU A 36 14.825 -7.566 8.090 1.00 23.20 H new ATOM 0 HG LEU A 36 13.188 -7.644 6.276 1.00 52.15 H new ATOM 0 HD11 LEU A 36 14.145 -9.535 5.022 1.00 73.55 H new ATOM 0 HD12 LEU A 36 15.394 -8.635 5.916 1.00 73.55 H new ATOM 0 HD13 LEU A 36 14.808 -10.198 6.535 1.00 73.55 H new ATOM 0 HD21 LEU A 36 11.841 -9.672 5.892 1.00 62.53 H new ATOM 0 HD22 LEU A 36 12.411 -10.339 7.440 1.00 62.53 H new ATOM 0 HD23 LEU A 36 11.406 -8.870 7.420 1.00 62.53 H new ATOM 543 N ALA A 37 16.602 -9.144 9.856 1.00 3.22 N ATOM 544 CA ALA A 37 18.040 -9.381 9.834 1.00 62.43 C ATOM 545 C ALA A 37 18.355 -10.862 10.016 1.00 31.34 C ATOM 546 O ALA A 37 19.410 -11.338 9.598 1.00 10.42 O ATOM 547 CB ALA A 37 18.728 -8.557 10.911 1.00 4.24 C ATOM 0 H ALA A 37 16.289 -8.521 10.600 1.00 3.22 H new ATOM 0 HA ALA A 37 18.419 -9.073 8.860 1.00 62.43 H new ATOM 0 HB1 ALA A 37 19.801 -8.744 10.882 1.00 4.24 H new ATOM 0 HB2 ALA A 37 18.540 -7.498 10.735 1.00 4.24 H new ATOM 0 HB3 ALA A 37 18.337 -8.837 11.889 1.00 4.24 H new ATOM 553 N GLU A 38 17.433 -11.586 10.644 1.00 12.50 N ATOM 554 CA GLU A 38 17.614 -13.013 10.883 1.00 43.51 C ATOM 555 C GLU A 38 17.070 -13.833 9.717 1.00 43.23 C ATOM 556 O GLU A 38 16.961 -15.057 9.802 1.00 55.25 O ATOM 557 CB GLU A 38 16.919 -13.428 12.181 1.00 54.50 C ATOM 558 CG GLU A 38 17.659 -12.992 13.434 1.00 30.04 C ATOM 559 CD GLU A 38 19.062 -13.563 13.511 1.00 13.23 C ATOM 560 OE1 GLU A 38 19.200 -14.804 13.492 1.00 51.41 O ATOM 561 OE2 GLU A 38 20.022 -12.768 13.591 1.00 55.43 O ATOM 0 H GLU A 38 16.554 -11.208 10.996 1.00 12.50 H new ATOM 0 HA GLU A 38 18.683 -13.207 10.974 1.00 43.51 H new ATOM 0 HB2 GLU A 38 15.915 -13.005 12.197 1.00 54.50 H new ATOM 0 HB3 GLU A 38 16.808 -14.512 12.193 1.00 54.50 H new ATOM 0 HG2 GLU A 38 17.712 -11.904 13.460 1.00 30.04 H new ATOM 0 HG3 GLU A 38 17.095 -13.305 14.312 1.00 30.04 H new ATOM 568 N LEU A 39 16.730 -13.150 8.629 1.00 65.31 N ATOM 569 CA LEU A 39 16.197 -13.814 7.445 1.00 60.44 C ATOM 570 C LEU A 39 17.315 -14.463 6.634 1.00 34.12 C ATOM 571 O LEU A 39 17.254 -15.649 6.313 1.00 63.12 O ATOM 572 CB LEU A 39 15.435 -12.813 6.574 1.00 23.51 C ATOM 573 CG LEU A 39 14.715 -13.395 5.357 1.00 14.41 C ATOM 574 CD1 LEU A 39 13.507 -12.544 4.995 1.00 1.22 C ATOM 575 CD2 LEU A 39 15.667 -13.503 4.175 1.00 54.11 C ATOM 0 H LEU A 39 16.814 -12.137 8.543 1.00 65.31 H new ATOM 0 HA LEU A 39 15.512 -14.595 7.775 1.00 60.44 H new ATOM 0 HB2 LEU A 39 14.700 -12.305 7.198 1.00 23.51 H new ATOM 0 HB3 LEU A 39 16.137 -12.055 6.228 1.00 23.51 H new ATOM 0 HG LEU A 39 14.366 -14.396 5.609 1.00 14.41 H new ATOM 0 HD11 LEU A 39 13.007 -12.973 4.127 1.00 1.22 H new ATOM 0 HD12 LEU A 39 12.815 -12.518 5.837 1.00 1.22 H new ATOM 0 HD13 LEU A 39 13.833 -11.530 4.762 1.00 1.22 H new ATOM 0 HD21 LEU A 39 15.137 -13.919 3.318 1.00 54.11 H new ATOM 0 HD22 LEU A 39 16.046 -12.513 3.922 1.00 54.11 H new ATOM 0 HD23 LEU A 39 16.501 -14.154 4.438 1.00 54.11 H new ATOM 587 N GLY A 40 18.336 -13.677 6.309 1.00 41.44 N ATOM 588 CA GLY A 40 19.454 -14.192 5.540 1.00 21.45 C ATOM 589 C GLY A 40 19.896 -13.239 4.448 1.00 73.23 C ATOM 590 O GLY A 40 20.712 -12.349 4.684 1.00 63.43 O ATOM 0 H GLY A 40 18.409 -12.692 6.564 1.00 41.44 H new ATOM 0 HA2 GLY A 40 20.292 -14.386 6.209 1.00 21.45 H new ATOM 0 HA3 GLY A 40 19.175 -15.146 5.094 1.00 21.45 H new ATOM 594 N ALA A 41 19.356 -13.426 3.248 1.00 71.33 N ATOM 595 CA ALA A 41 19.699 -12.576 2.115 1.00 51.22 C ATOM 596 C ALA A 41 18.446 -12.020 1.447 1.00 40.15 C ATOM 597 O ALA A 41 18.112 -10.846 1.610 1.00 72.33 O ATOM 598 CB ALA A 41 20.537 -13.350 1.108 1.00 30.12 C ATOM 0 H ALA A 41 18.679 -14.159 3.036 1.00 71.33 H new ATOM 0 HA ALA A 41 20.284 -11.735 2.488 1.00 51.22 H new ATOM 0 HB1 ALA A 41 20.786 -12.702 0.267 1.00 30.12 H new ATOM 0 HB2 ALA A 41 21.455 -13.693 1.586 1.00 30.12 H new ATOM 0 HB3 ALA A 41 19.972 -14.210 0.749 1.00 30.12 H new ATOM 604 N VAL A 42 17.756 -12.870 0.693 1.00 62.14 N ATOM 605 CA VAL A 42 16.540 -12.464 0.000 1.00 55.44 C ATOM 606 C VAL A 42 15.297 -12.914 0.760 1.00 63.10 C ATOM 607 O VAL A 42 15.274 -13.997 1.347 1.00 54.04 O ATOM 608 CB VAL A 42 16.489 -13.037 -1.429 1.00 43.32 C ATOM 609 CG1 VAL A 42 15.325 -12.439 -2.204 1.00 33.11 C ATOM 610 CG2 VAL A 42 17.805 -12.785 -2.150 1.00 70.22 C ATOM 0 H VAL A 42 18.019 -13.845 0.547 1.00 62.14 H new ATOM 0 HA VAL A 42 16.556 -11.375 -0.053 1.00 55.44 H new ATOM 0 HB VAL A 42 16.335 -14.114 -1.364 1.00 43.32 H new ATOM 0 HG11 VAL A 42 15.306 -12.856 -3.211 1.00 33.11 H new ATOM 0 HG12 VAL A 42 14.390 -12.675 -1.696 1.00 33.11 H new ATOM 0 HG13 VAL A 42 15.444 -11.357 -2.262 1.00 33.11 H new ATOM 0 HG21 VAL A 42 17.752 -13.196 -3.158 1.00 70.22 H new ATOM 0 HG22 VAL A 42 17.990 -11.712 -2.205 1.00 70.22 H new ATOM 0 HG23 VAL A 42 18.617 -13.266 -1.604 1.00 70.22 H new ATOM 620 N LEU A 43 14.266 -12.077 0.746 1.00 70.02 N ATOM 621 CA LEU A 43 13.018 -12.389 1.434 1.00 50.20 C ATOM 622 C LEU A 43 12.123 -13.269 0.567 1.00 42.30 C ATOM 623 O LEU A 43 12.189 -13.243 -0.662 1.00 50.02 O ATOM 624 CB LEU A 43 12.281 -11.100 1.804 1.00 21.52 C ATOM 625 CG LEU A 43 13.130 -10.002 2.446 1.00 61.33 C ATOM 626 CD1 LEU A 43 13.624 -9.025 1.391 1.00 51.42 C ATOM 627 CD2 LEU A 43 12.336 -9.274 3.521 1.00 64.14 C ATOM 0 H LEU A 43 14.269 -11.177 0.266 1.00 70.02 H new ATOM 0 HA LEU A 43 13.261 -12.936 2.345 1.00 50.20 H new ATOM 0 HB2 LEU A 43 11.822 -10.696 0.902 1.00 21.52 H new ATOM 0 HB3 LEU A 43 11.471 -11.352 2.488 1.00 21.52 H new ATOM 0 HG LEU A 43 13.997 -10.467 2.916 1.00 61.33 H new ATOM 0 HD11 LEU A 43 14.226 -8.251 1.866 1.00 51.42 H new ATOM 0 HD12 LEU A 43 14.230 -9.557 0.658 1.00 51.42 H new ATOM 0 HD13 LEU A 43 12.770 -8.566 0.892 1.00 51.42 H new ATOM 0 HD21 LEU A 43 12.956 -8.496 3.967 1.00 64.14 H new ATOM 0 HD22 LEU A 43 11.450 -8.821 3.075 1.00 64.14 H new ATOM 0 HD23 LEU A 43 12.032 -9.983 4.292 1.00 64.14 H new ATOM 639 N PRO A 44 11.264 -14.065 1.220 1.00 24.43 N ATOM 640 CA PRO A 44 10.338 -14.966 0.529 1.00 74.34 C ATOM 641 C PRO A 44 9.233 -14.211 -0.203 1.00 61.41 C ATOM 642 O PRO A 44 8.508 -13.417 0.397 1.00 73.25 O ATOM 643 CB PRO A 44 9.749 -15.809 1.663 1.00 13.40 C ATOM 644 CG PRO A 44 9.876 -14.953 2.876 1.00 40.33 C ATOM 645 CD PRO A 44 11.132 -14.148 2.685 1.00 53.25 C ATOM 0 HA PRO A 44 10.839 -15.553 -0.240 1.00 74.34 H new ATOM 0 HB2 PRO A 44 8.708 -16.065 1.466 1.00 13.40 H new ATOM 0 HB3 PRO A 44 10.291 -16.747 1.782 1.00 13.40 H new ATOM 0 HG2 PRO A 44 9.009 -14.302 2.987 1.00 40.33 H new ATOM 0 HG3 PRO A 44 9.936 -15.561 3.778 1.00 40.33 H new ATOM 0 HD2 PRO A 44 11.049 -13.160 3.138 1.00 53.25 H new ATOM 0 HD3 PRO A 44 11.995 -14.635 3.139 1.00 53.25 H new ATOM 653 N HIS A 45 9.110 -14.465 -1.502 1.00 41.53 N ATOM 654 CA HIS A 45 8.092 -13.809 -2.316 1.00 2.02 C ATOM 655 C HIS A 45 6.714 -13.948 -1.677 1.00 74.32 C ATOM 656 O HIS A 45 6.117 -15.024 -1.693 1.00 21.11 O ATOM 657 CB HIS A 45 8.076 -14.401 -3.725 1.00 64.23 C ATOM 658 CG HIS A 45 7.964 -15.895 -3.746 1.00 42.43 C ATOM 659 ND1 HIS A 45 6.772 -16.557 -3.951 1.00 43.02 N ATOM 660 CD2 HIS A 45 8.905 -16.855 -3.588 1.00 75.33 C ATOM 661 CE1 HIS A 45 6.984 -17.860 -3.916 1.00 70.55 C ATOM 662 NE2 HIS A 45 8.270 -18.068 -3.698 1.00 70.12 N ATOM 0 H HIS A 45 9.702 -15.120 -2.013 1.00 41.53 H new ATOM 0 HA HIS A 45 8.339 -12.749 -2.379 1.00 2.02 H new ATOM 0 HB2 HIS A 45 7.240 -13.974 -4.280 1.00 64.23 H new ATOM 0 HB3 HIS A 45 8.988 -14.106 -4.245 1.00 64.23 H new ATOM 0 HD2 HIS A 45 9.958 -16.697 -3.409 1.00 75.33 H new ATOM 0 HE1 HIS A 45 6.233 -18.626 -4.044 1.00 70.55 H new ATOM 0 HE2 HIS A 45 8.719 -18.981 -3.623 1.00 70.12 H new ATOM 670 N GLY A 46 6.213 -12.852 -1.115 1.00 24.01 N ATOM 671 CA GLY A 46 4.910 -12.874 -0.478 1.00 55.21 C ATOM 672 C GLY A 46 4.889 -12.104 0.828 1.00 61.23 C ATOM 673 O GLY A 46 3.823 -11.826 1.377 1.00 33.34 O ATOM 0 H GLY A 46 6.687 -11.949 -1.090 1.00 24.01 H new ATOM 0 HA2 GLY A 46 4.170 -12.451 -1.157 1.00 55.21 H new ATOM 0 HA3 GLY A 46 4.618 -13.907 -0.292 1.00 55.21 H new ATOM 677 N THR A 47 6.072 -11.759 1.328 1.00 35.43 N ATOM 678 CA THR A 47 6.186 -11.020 2.579 1.00 33.10 C ATOM 679 C THR A 47 6.154 -9.516 2.334 1.00 50.15 C ATOM 680 O THR A 47 7.035 -8.967 1.673 1.00 52.34 O ATOM 681 CB THR A 47 7.483 -11.379 3.327 1.00 22.35 C ATOM 682 OG1 THR A 47 7.479 -12.768 3.677 1.00 14.13 O ATOM 683 CG2 THR A 47 7.635 -10.535 4.584 1.00 74.11 C ATOM 0 H THR A 47 6.964 -11.980 0.886 1.00 35.43 H new ATOM 0 HA THR A 47 5.331 -11.304 3.193 1.00 33.10 H new ATOM 0 HB THR A 47 8.325 -11.173 2.666 1.00 22.35 H new ATOM 0 HG1 THR A 47 8.119 -12.924 4.402 1.00 14.13 H new ATOM 0 HG21 THR A 47 8.558 -10.807 5.095 1.00 74.11 H new ATOM 0 HG22 THR A 47 7.668 -9.480 4.312 1.00 74.11 H new ATOM 0 HG23 THR A 47 6.788 -10.713 5.246 1.00 74.11 H new ATOM 691 N ALA A 48 5.134 -8.855 2.871 1.00 52.25 N ATOM 692 CA ALA A 48 4.989 -7.413 2.712 1.00 63.13 C ATOM 693 C ALA A 48 5.998 -6.662 3.574 1.00 11.03 C ATOM 694 O ALA A 48 6.394 -7.136 4.639 1.00 13.24 O ATOM 695 CB ALA A 48 3.572 -6.983 3.059 1.00 74.34 C ATOM 0 H ALA A 48 4.396 -9.295 3.420 1.00 52.25 H new ATOM 0 HA ALA A 48 5.186 -7.166 1.669 1.00 63.13 H new ATOM 0 HB1 ALA A 48 3.479 -5.904 2.936 1.00 74.34 H new ATOM 0 HB2 ALA A 48 2.867 -7.486 2.397 1.00 74.34 H new ATOM 0 HB3 ALA A 48 3.354 -7.250 4.093 1.00 74.34 H new ATOM 701 N VAL A 49 6.411 -5.488 3.107 1.00 30.02 N ATOM 702 CA VAL A 49 7.374 -4.671 3.836 1.00 15.13 C ATOM 703 C VAL A 49 6.953 -3.206 3.848 1.00 43.51 C ATOM 704 O VAL A 49 6.682 -2.620 2.800 1.00 1.34 O ATOM 705 CB VAL A 49 8.783 -4.785 3.225 1.00 11.45 C ATOM 706 CG1 VAL A 49 9.803 -4.073 4.100 1.00 3.54 C ATOM 707 CG2 VAL A 49 9.162 -6.245 3.030 1.00 3.23 C ATOM 0 H VAL A 49 6.094 -5.081 2.227 1.00 30.02 H new ATOM 0 HA VAL A 49 7.399 -5.047 4.859 1.00 15.13 H new ATOM 0 HB VAL A 49 8.777 -4.301 2.248 1.00 11.45 H new ATOM 0 HG11 VAL A 49 10.793 -4.164 3.653 1.00 3.54 H new ATOM 0 HG12 VAL A 49 9.538 -3.019 4.184 1.00 3.54 H new ATOM 0 HG13 VAL A 49 9.810 -4.525 5.092 1.00 3.54 H new ATOM 0 HG21 VAL A 49 10.161 -6.307 2.597 1.00 3.23 H new ATOM 0 HG22 VAL A 49 9.151 -6.755 3.993 1.00 3.23 H new ATOM 0 HG23 VAL A 49 8.446 -6.720 2.360 1.00 3.23 H new ATOM 717 N GLU A 50 6.902 -2.620 5.040 1.00 1.50 N ATOM 718 CA GLU A 50 6.514 -1.222 5.187 1.00 3.43 C ATOM 719 C GLU A 50 7.629 -0.295 4.710 1.00 54.30 C ATOM 720 O GLU A 50 8.807 -0.530 4.981 1.00 33.25 O ATOM 721 CB GLU A 50 6.171 -0.915 6.647 1.00 65.42 C ATOM 722 CG GLU A 50 5.964 0.564 6.926 1.00 73.42 C ATOM 723 CD GLU A 50 5.181 0.813 8.200 1.00 32.54 C ATOM 724 OE1 GLU A 50 4.008 0.388 8.268 1.00 23.42 O ATOM 725 OE2 GLU A 50 5.740 1.432 9.129 1.00 32.13 O ATOM 0 H GLU A 50 7.124 -3.091 5.917 1.00 1.50 H new ATOM 0 HA GLU A 50 5.632 -1.050 4.570 1.00 3.43 H new ATOM 0 HB2 GLU A 50 5.266 -1.458 6.921 1.00 65.42 H new ATOM 0 HB3 GLU A 50 6.972 -1.288 7.286 1.00 65.42 H new ATOM 0 HG2 GLU A 50 6.934 1.056 6.998 1.00 73.42 H new ATOM 0 HG3 GLU A 50 5.438 1.018 6.086 1.00 73.42 H new ATOM 732 N LEU A 51 7.248 0.760 3.997 1.00 70.41 N ATOM 733 CA LEU A 51 8.214 1.723 3.480 1.00 30.03 C ATOM 734 C LEU A 51 7.960 3.112 4.058 1.00 60.23 C ATOM 735 O LEU A 51 7.170 3.895 3.531 1.00 53.02 O ATOM 736 CB LEU A 51 8.147 1.773 1.953 1.00 50.11 C ATOM 737 CG LEU A 51 8.610 0.514 1.219 1.00 11.11 C ATOM 738 CD1 LEU A 51 7.932 0.407 -0.138 1.00 12.40 C ATOM 739 CD2 LEU A 51 10.124 0.514 1.062 1.00 14.34 C ATOM 0 H LEU A 51 6.277 0.970 3.764 1.00 70.41 H new ATOM 0 HA LEU A 51 9.210 1.400 3.783 1.00 30.03 H new ATOM 0 HB2 LEU A 51 7.118 1.982 1.661 1.00 50.11 H new ATOM 0 HB3 LEU A 51 8.752 2.612 1.610 1.00 50.11 H new ATOM 0 HG LEU A 51 8.326 -0.354 1.813 1.00 11.11 H new ATOM 0 HD11 LEU A 51 8.274 -0.495 -0.645 1.00 12.40 H new ATOM 0 HD12 LEU A 51 6.852 0.359 -0.002 1.00 12.40 H new ATOM 0 HD13 LEU A 51 8.184 1.280 -0.740 1.00 12.40 H new ATOM 0 HD21 LEU A 51 10.435 -0.389 0.538 1.00 14.34 H new ATOM 0 HD22 LEU A 51 10.430 1.390 0.490 1.00 14.34 H new ATOM 0 HD23 LEU A 51 10.592 0.542 2.046 1.00 14.34 H new ATOM 751 N PRO A 52 8.647 3.427 5.166 1.00 71.21 N ATOM 752 CA PRO A 52 8.515 4.723 5.837 1.00 13.24 C ATOM 753 C PRO A 52 9.117 5.862 5.022 1.00 12.41 C ATOM 754 O PRO A 52 9.982 5.642 4.175 1.00 44.12 O ATOM 755 CB PRO A 52 9.294 4.529 7.141 1.00 75.53 C ATOM 756 CG PRO A 52 10.280 3.454 6.836 1.00 15.10 C ATOM 757 CD PRO A 52 9.606 2.542 5.848 1.00 0.03 C ATOM 0 HA PRO A 52 7.471 5.000 5.985 1.00 13.24 H new ATOM 0 HB2 PRO A 52 9.793 5.449 7.445 1.00 75.53 H new ATOM 0 HB3 PRO A 52 8.633 4.240 7.958 1.00 75.53 H new ATOM 0 HG2 PRO A 52 11.196 3.872 6.419 1.00 15.10 H new ATOM 0 HG3 PRO A 52 10.559 2.912 7.740 1.00 15.10 H new ATOM 0 HD2 PRO A 52 10.321 2.109 5.148 1.00 0.03 H new ATOM 0 HD3 PRO A 52 9.104 1.712 6.345 1.00 0.03 H new ATOM 765 N ASP A 53 8.654 7.080 5.284 1.00 71.23 N ATOM 766 CA ASP A 53 9.148 8.254 4.575 1.00 43.51 C ATOM 767 C ASP A 53 8.823 8.168 3.087 1.00 12.20 C ATOM 768 O ASP A 53 9.653 8.495 2.239 1.00 4.32 O ATOM 769 CB ASP A 53 10.658 8.397 4.772 1.00 43.41 C ATOM 770 CG ASP A 53 11.109 9.845 4.761 1.00 21.21 C ATOM 771 OD1 ASP A 53 10.340 10.709 5.230 1.00 34.15 O ATOM 772 OD2 ASP A 53 12.231 10.114 4.282 1.00 20.34 O ATOM 0 H ASP A 53 7.938 7.279 5.982 1.00 71.23 H new ATOM 0 HA ASP A 53 8.650 9.132 4.987 1.00 43.51 H new ATOM 0 HB2 ASP A 53 10.943 7.938 5.719 1.00 43.41 H new ATOM 0 HB3 ASP A 53 11.178 7.852 3.984 1.00 43.41 H new ATOM 777 N VAL A 54 7.609 7.725 2.777 1.00 72.33 N ATOM 778 CA VAL A 54 7.173 7.595 1.391 1.00 2.13 C ATOM 779 C VAL A 54 5.900 8.395 1.138 1.00 20.35 C ATOM 780 O VAL A 54 4.993 8.415 1.970 1.00 23.13 O ATOM 781 CB VAL A 54 6.924 6.122 1.017 1.00 41.14 C ATOM 782 CG1 VAL A 54 6.417 6.013 -0.413 1.00 71.02 C ATOM 783 CG2 VAL A 54 8.192 5.303 1.205 1.00 0.03 C ATOM 0 H VAL A 54 6.910 7.450 3.467 1.00 72.33 H new ATOM 0 HA VAL A 54 7.976 7.989 0.768 1.00 2.13 H new ATOM 0 HB VAL A 54 6.158 5.721 1.681 1.00 41.14 H new ATOM 0 HG11 VAL A 54 6.247 4.965 -0.660 1.00 71.02 H new ATOM 0 HG12 VAL A 54 5.482 6.565 -0.511 1.00 71.02 H new ATOM 0 HG13 VAL A 54 7.158 6.430 -1.095 1.00 71.02 H new ATOM 0 HG21 VAL A 54 7.998 4.265 0.936 1.00 0.03 H new ATOM 0 HG22 VAL A 54 8.981 5.702 0.567 1.00 0.03 H new ATOM 0 HG23 VAL A 54 8.508 5.355 2.247 1.00 0.03 H new ATOM 793 N GLN A 55 5.840 9.052 -0.015 1.00 73.23 N ATOM 794 CA GLN A 55 4.677 9.853 -0.377 1.00 51.54 C ATOM 795 C GLN A 55 4.084 9.385 -1.702 1.00 33.20 C ATOM 796 O GLN A 55 4.794 9.245 -2.698 1.00 51.44 O ATOM 797 CB GLN A 55 5.059 11.332 -0.471 1.00 22.42 C ATOM 798 CG GLN A 55 6.280 11.591 -1.338 1.00 63.44 C ATOM 799 CD GLN A 55 6.610 13.066 -1.456 1.00 63.52 C ATOM 800 OE1 GLN A 55 6.406 13.677 -2.505 1.00 40.41 O ATOM 801 NE2 GLN A 55 7.124 13.646 -0.378 1.00 33.54 N ATOM 0 H GLN A 55 6.583 9.046 -0.714 1.00 73.23 H new ATOM 0 HA GLN A 55 3.925 9.727 0.402 1.00 51.54 H new ATOM 0 HB2 GLN A 55 4.214 11.892 -0.871 1.00 22.42 H new ATOM 0 HB3 GLN A 55 5.248 11.714 0.532 1.00 22.42 H new ATOM 0 HG2 GLN A 55 7.137 11.063 -0.919 1.00 63.44 H new ATOM 0 HG3 GLN A 55 6.108 11.180 -2.333 1.00 63.44 H new ATOM 0 HE21 GLN A 55 7.276 13.101 0.471 1.00 33.54 H new ATOM 0 HE22 GLN A 55 7.367 14.637 -0.398 1.00 33.54 H new ATOM 810 N THR A 56 2.777 9.142 -1.707 1.00 15.34 N ATOM 811 CA THR A 56 2.088 8.688 -2.908 1.00 32.21 C ATOM 812 C THR A 56 2.059 9.780 -3.971 1.00 73.54 C ATOM 813 O THR A 56 1.977 10.966 -3.654 1.00 71.24 O ATOM 814 CB THR A 56 0.644 8.252 -2.597 1.00 33.35 C ATOM 815 OG1 THR A 56 0.046 9.163 -1.668 1.00 1.31 O ATOM 816 CG2 THR A 56 0.616 6.843 -2.022 1.00 14.41 C ATOM 0 H THR A 56 2.174 9.252 -0.892 1.00 15.34 H new ATOM 0 HA THR A 56 2.645 7.831 -3.286 1.00 32.21 H new ATOM 0 HB THR A 56 0.078 8.259 -3.528 1.00 33.35 H new ATOM 0 HG1 THR A 56 -0.872 8.880 -1.477 1.00 1.31 H new ATOM 0 HG21 THR A 56 -0.414 6.557 -1.810 1.00 14.41 H new ATOM 0 HG22 THR A 56 1.045 6.147 -2.743 1.00 14.41 H new ATOM 0 HG23 THR A 56 1.197 6.815 -1.100 1.00 14.41 H new ATOM 824 N ALA A 57 2.126 9.371 -5.234 1.00 74.12 N ATOM 825 CA ALA A 57 2.104 10.315 -6.345 1.00 21.13 C ATOM 826 C ALA A 57 1.510 9.677 -7.596 1.00 64.11 C ATOM 827 O ALA A 57 1.446 8.455 -7.728 1.00 62.52 O ATOM 828 CB ALA A 57 3.508 10.829 -6.627 1.00 52.34 C ATOM 0 H ALA A 57 2.196 8.392 -5.513 1.00 74.12 H new ATOM 0 HA ALA A 57 1.471 11.156 -6.063 1.00 21.13 H new ATOM 0 HB1 ALA A 57 3.478 11.533 -7.459 1.00 52.34 H new ATOM 0 HB2 ALA A 57 3.897 11.331 -5.741 1.00 52.34 H new ATOM 0 HB3 ALA A 57 4.157 9.992 -6.884 1.00 52.34 H new ATOM 834 N PRO A 58 1.065 10.522 -8.538 1.00 32.05 N ATOM 835 CA PRO A 58 0.468 10.063 -9.795 1.00 60.42 C ATOM 836 C PRO A 58 1.493 9.417 -10.721 1.00 71.42 C ATOM 837 O PRO A 58 1.968 10.041 -11.670 1.00 74.22 O ATOM 838 CB PRO A 58 -0.080 11.349 -10.418 1.00 61.25 C ATOM 839 CG PRO A 58 0.757 12.437 -9.839 1.00 73.21 C ATOM 840 CD PRO A 58 1.110 11.991 -8.447 1.00 14.10 C ATOM 0 HA PRO A 58 -0.290 9.297 -9.631 1.00 60.42 H new ATOM 0 HB2 PRO A 58 -0.003 11.326 -11.505 1.00 61.25 H new ATOM 0 HB3 PRO A 58 -1.134 11.489 -10.176 1.00 61.25 H new ATOM 0 HG2 PRO A 58 1.654 12.599 -10.436 1.00 73.21 H new ATOM 0 HG3 PRO A 58 0.212 13.381 -9.820 1.00 73.21 H new ATOM 0 HD2 PRO A 58 2.097 12.345 -8.150 1.00 14.10 H new ATOM 0 HD3 PRO A 58 0.400 12.370 -7.711 1.00 14.10 H new ATOM 848 N VAL A 59 1.830 8.162 -10.440 1.00 23.03 N ATOM 849 CA VAL A 59 2.798 7.431 -11.249 1.00 20.44 C ATOM 850 C VAL A 59 2.104 6.421 -12.157 1.00 3.45 C ATOM 851 O VAL A 59 1.108 5.809 -11.773 1.00 63.55 O ATOM 852 CB VAL A 59 3.823 6.692 -10.367 1.00 14.22 C ATOM 853 CG1 VAL A 59 3.118 5.737 -9.415 1.00 43.31 C ATOM 854 CG2 VAL A 59 4.831 5.950 -11.230 1.00 61.15 C ATOM 0 H VAL A 59 1.447 7.631 -9.658 1.00 23.03 H new ATOM 0 HA VAL A 59 3.320 8.167 -11.860 1.00 20.44 H new ATOM 0 HB VAL A 59 4.362 7.429 -9.771 1.00 14.22 H new ATOM 0 HG11 VAL A 59 3.858 5.224 -8.800 1.00 43.31 H new ATOM 0 HG12 VAL A 59 2.439 6.298 -8.773 1.00 43.31 H new ATOM 0 HG13 VAL A 59 2.552 5.003 -9.989 1.00 43.31 H new ATOM 0 HG21 VAL A 59 5.547 5.434 -10.591 1.00 61.15 H new ATOM 0 HG22 VAL A 59 4.311 5.223 -11.853 1.00 61.15 H new ATOM 0 HG23 VAL A 59 5.359 6.661 -11.866 1.00 61.15 H new ATOM 864 N ALA A 60 2.638 6.253 -13.362 1.00 2.31 N ATOM 865 CA ALA A 60 2.072 5.316 -14.324 1.00 41.22 C ATOM 866 C ALA A 60 2.785 3.969 -14.263 1.00 54.33 C ATOM 867 O ALA A 60 3.950 3.856 -14.642 1.00 52.22 O ATOM 868 CB ALA A 60 2.149 5.893 -15.730 1.00 74.21 C ATOM 0 H ALA A 60 3.462 6.754 -13.695 1.00 2.31 H new ATOM 0 HA ALA A 60 1.025 5.155 -14.066 1.00 41.22 H new ATOM 0 HB1 ALA A 60 1.723 5.183 -16.439 1.00 74.21 H new ATOM 0 HB2 ALA A 60 1.589 6.827 -15.771 1.00 74.21 H new ATOM 0 HB3 ALA A 60 3.191 6.083 -15.989 1.00 74.21 H new ATOM 874 N GLU A 61 2.077 2.952 -13.783 1.00 74.44 N ATOM 875 CA GLU A 61 2.644 1.613 -13.672 1.00 34.20 C ATOM 876 C GLU A 61 1.841 0.612 -14.498 1.00 31.53 C ATOM 877 O GLU A 61 0.618 0.527 -14.376 1.00 63.23 O ATOM 878 CB GLU A 61 2.679 1.170 -12.208 1.00 4.33 C ATOM 879 CG GLU A 61 3.622 1.994 -11.346 1.00 31.41 C ATOM 880 CD GLU A 61 3.869 1.366 -9.988 1.00 13.23 C ATOM 881 OE1 GLU A 61 4.068 0.135 -9.930 1.00 23.03 O ATOM 882 OE2 GLU A 61 3.862 2.107 -8.983 1.00 4.54 O ATOM 0 H GLU A 61 1.111 3.029 -13.465 1.00 74.44 H new ATOM 0 HA GLU A 61 3.662 1.644 -14.060 1.00 34.20 H new ATOM 0 HB2 GLU A 61 1.673 1.233 -11.794 1.00 4.33 H new ATOM 0 HB3 GLU A 61 2.978 0.123 -12.161 1.00 4.33 H new ATOM 0 HG2 GLU A 61 4.573 2.113 -11.866 1.00 31.41 H new ATOM 0 HG3 GLU A 61 3.206 2.992 -11.210 1.00 31.41 H new ATOM 889 N THR A 62 2.538 -0.146 -15.339 1.00 54.04 N ATOM 890 CA THR A 62 1.891 -1.140 -16.187 1.00 24.12 C ATOM 891 C THR A 62 2.809 -2.333 -16.433 1.00 13.50 C ATOM 892 O THR A 62 4.029 -2.225 -16.312 1.00 61.22 O ATOM 893 CB THR A 62 1.476 -0.538 -17.542 1.00 60.04 C ATOM 894 OG1 THR A 62 2.415 0.467 -17.940 1.00 40.14 O ATOM 895 CG2 THR A 62 0.082 0.066 -17.462 1.00 3.32 C ATOM 0 H THR A 62 3.550 -0.091 -15.451 1.00 54.04 H new ATOM 0 HA THR A 62 0.998 -1.474 -15.658 1.00 24.12 H new ATOM 0 HB THR A 62 1.466 -1.338 -18.282 1.00 60.04 H new ATOM 0 HG1 THR A 62 2.145 0.844 -18.803 1.00 40.14 H new ATOM 0 HG21 THR A 62 -0.189 0.485 -18.431 1.00 3.32 H new ATOM 0 HG22 THR A 62 -0.635 -0.708 -17.188 1.00 3.32 H new ATOM 0 HG23 THR A 62 0.070 0.855 -16.710 1.00 3.32 H new ATOM 903 N VAL A 63 2.214 -3.469 -16.780 1.00 35.54 N ATOM 904 CA VAL A 63 2.978 -4.682 -17.045 1.00 33.52 C ATOM 905 C VAL A 63 2.128 -5.720 -17.771 1.00 2.51 C ATOM 906 O VAL A 63 0.982 -5.968 -17.399 1.00 40.35 O ATOM 907 CB VAL A 63 3.520 -5.300 -15.742 1.00 61.23 C ATOM 908 CG1 VAL A 63 2.378 -5.654 -14.803 1.00 14.35 C ATOM 909 CG2 VAL A 63 4.369 -6.525 -16.047 1.00 61.12 C ATOM 0 H VAL A 63 1.205 -3.575 -16.884 1.00 35.54 H new ATOM 0 HA VAL A 63 3.817 -4.395 -17.679 1.00 33.52 H new ATOM 0 HB VAL A 63 4.151 -4.563 -15.246 1.00 61.23 H new ATOM 0 HG11 VAL A 63 2.781 -6.089 -13.888 1.00 14.35 H new ATOM 0 HG12 VAL A 63 1.815 -4.753 -14.559 1.00 14.35 H new ATOM 0 HG13 VAL A 63 1.718 -6.374 -15.288 1.00 14.35 H new ATOM 0 HG21 VAL A 63 4.744 -6.949 -15.115 1.00 61.12 H new ATOM 0 HG22 VAL A 63 3.763 -7.268 -16.566 1.00 61.12 H new ATOM 0 HG23 VAL A 63 5.209 -6.237 -16.679 1.00 61.12 H new ATOM 919 N ASN A 64 2.699 -6.323 -18.808 1.00 43.24 N ATOM 920 CA ASN A 64 1.994 -7.334 -19.588 1.00 21.04 C ATOM 921 C ASN A 64 2.691 -8.687 -19.481 1.00 44.21 C ATOM 922 O ASN A 64 3.628 -8.975 -20.227 1.00 71.53 O ATOM 923 CB ASN A 64 1.905 -6.907 -21.054 1.00 64.53 C ATOM 924 CG ASN A 64 3.164 -6.208 -21.530 1.00 11.30 C ATOM 925 OD1 ASN A 64 3.321 -5.000 -21.351 1.00 5.14 O ATOM 926 ND2 ASN A 64 4.067 -6.966 -22.141 1.00 3.44 N ATOM 0 H ASN A 64 3.648 -6.129 -19.128 1.00 43.24 H new ATOM 0 HA ASN A 64 0.986 -7.432 -19.184 1.00 21.04 H new ATOM 0 HB2 ASN A 64 1.723 -7.784 -21.675 1.00 64.53 H new ATOM 0 HB3 ASN A 64 1.052 -6.242 -21.185 1.00 64.53 H new ATOM 0 HD21 ASN A 64 4.933 -6.551 -22.484 1.00 3.44 H new ATOM 0 HD22 ASN A 64 3.894 -7.963 -22.267 1.00 3.44 H new ATOM 933 N LEU A 65 2.229 -9.513 -18.549 1.00 55.14 N ATOM 934 CA LEU A 65 2.807 -10.837 -18.345 1.00 13.41 C ATOM 935 C LEU A 65 1.760 -11.926 -18.553 1.00 72.24 C ATOM 936 O LEU A 65 1.594 -12.810 -17.713 1.00 15.35 O ATOM 937 CB LEU A 65 3.399 -10.944 -16.939 1.00 34.55 C ATOM 938 CG LEU A 65 2.638 -10.213 -15.832 1.00 54.02 C ATOM 939 CD1 LEU A 65 1.284 -10.865 -15.594 1.00 42.45 C ATOM 940 CD2 LEU A 65 3.454 -10.191 -14.548 1.00 70.11 C ATOM 0 H LEU A 65 1.456 -9.290 -17.922 1.00 55.14 H new ATOM 0 HA LEU A 65 3.601 -10.978 -19.079 1.00 13.41 H new ATOM 0 HB2 LEU A 65 3.463 -11.999 -16.673 1.00 34.55 H new ATOM 0 HB3 LEU A 65 4.419 -10.560 -16.966 1.00 34.55 H new ATOM 0 HG LEU A 65 2.472 -9.184 -16.151 1.00 54.02 H new ATOM 0 HD11 LEU A 65 0.757 -10.331 -14.803 1.00 42.45 H new ATOM 0 HD12 LEU A 65 0.696 -10.828 -16.511 1.00 42.45 H new ATOM 0 HD13 LEU A 65 1.428 -11.904 -15.297 1.00 42.45 H new ATOM 0 HD21 LEU A 65 2.897 -9.667 -13.772 1.00 70.11 H new ATOM 0 HD22 LEU A 65 3.652 -11.213 -14.225 1.00 70.11 H new ATOM 0 HD23 LEU A 65 4.399 -9.677 -14.726 1.00 70.11 H new ATOM 952 N TRP A 66 1.059 -11.858 -19.679 1.00 51.13 N ATOM 953 CA TRP A 66 0.029 -12.840 -19.999 1.00 64.33 C ATOM 954 C TRP A 66 0.467 -13.729 -21.158 1.00 73.22 C ATOM 955 O TRP A 66 -0.112 -14.790 -21.390 1.00 62.21 O ATOM 956 CB TRP A 66 -1.284 -12.138 -20.346 1.00 74.24 C ATOM 957 CG TRP A 66 -1.111 -10.986 -21.290 1.00 31.43 C ATOM 958 CD1 TRP A 66 -0.952 -9.671 -20.957 1.00 61.41 C ATOM 959 CD2 TRP A 66 -1.082 -11.047 -22.720 1.00 2.02 C ATOM 960 NE1 TRP A 66 -0.825 -8.911 -22.094 1.00 53.14 N ATOM 961 CE2 TRP A 66 -0.901 -9.731 -23.189 1.00 23.11 C ATOM 962 CE3 TRP A 66 -1.189 -12.085 -23.650 1.00 4.43 C ATOM 963 CZ2 TRP A 66 -0.826 -9.429 -24.546 1.00 0.41 C ATOM 964 CZ3 TRP A 66 -1.115 -11.783 -24.996 1.00 45.31 C ATOM 965 CH2 TRP A 66 -0.934 -10.464 -25.434 1.00 42.01 C ATOM 0 H TRP A 66 1.185 -11.133 -20.386 1.00 51.13 H new ATOM 0 HA TRP A 66 -0.125 -13.468 -19.122 1.00 64.33 H new ATOM 0 HB2 TRP A 66 -1.968 -12.862 -20.789 1.00 74.24 H new ATOM 0 HB3 TRP A 66 -1.749 -11.779 -19.428 1.00 74.24 H new ATOM 0 HD1 TRP A 66 -0.929 -9.286 -19.948 1.00 61.41 H new ATOM 0 HE1 TRP A 66 -0.695 -7.900 -22.119 1.00 53.14 H new ATOM 0 HE3 TRP A 66 -1.327 -13.105 -23.322 1.00 4.43 H new ATOM 0 HZ2 TRP A 66 -0.687 -8.413 -24.886 1.00 0.41 H new ATOM 0 HZ3 TRP A 66 -1.198 -12.577 -25.723 1.00 45.31 H new ATOM 0 HH2 TRP A 66 -0.879 -10.261 -26.493 1.00 42.01 H new ATOM 976 N GLU A 67 1.491 -13.289 -21.882 1.00 60.14 N ATOM 977 CA GLU A 67 2.004 -14.047 -23.018 1.00 2.51 C ATOM 978 C GLU A 67 3.314 -14.743 -22.660 1.00 71.20 C ATOM 979 O GLU A 67 4.200 -14.894 -23.501 1.00 40.23 O ATOM 980 CB GLU A 67 2.216 -13.124 -24.220 1.00 63.44 C ATOM 981 CG GLU A 67 3.156 -11.964 -23.939 1.00 62.25 C ATOM 982 CD GLU A 67 3.242 -10.989 -25.097 1.00 54.14 C ATOM 983 OE1 GLU A 67 2.316 -10.165 -25.250 1.00 33.14 O ATOM 984 OE2 GLU A 67 4.235 -11.050 -25.852 1.00 3.15 O ATOM 0 H GLU A 67 1.981 -12.413 -21.703 1.00 60.14 H new ATOM 0 HA GLU A 67 1.268 -14.808 -23.278 1.00 2.51 H new ATOM 0 HB2 GLU A 67 2.612 -13.708 -25.051 1.00 63.44 H new ATOM 0 HB3 GLU A 67 1.251 -12.730 -24.539 1.00 63.44 H new ATOM 0 HG2 GLU A 67 2.818 -11.435 -23.048 1.00 62.25 H new ATOM 0 HG3 GLU A 67 4.151 -12.352 -23.721 1.00 62.25 H new ATOM 991 N VAL A 68 3.429 -15.166 -21.405 1.00 52.10 N ATOM 992 CA VAL A 68 4.629 -15.847 -20.935 1.00 21.04 C ATOM 993 C VAL A 68 4.509 -17.357 -21.110 1.00 52.42 C ATOM 994 O VAL A 68 5.512 -18.057 -21.243 1.00 35.31 O ATOM 995 CB VAL A 68 4.907 -15.534 -19.452 1.00 65.24 C ATOM 996 CG1 VAL A 68 3.836 -16.151 -18.566 1.00 25.31 C ATOM 997 CG2 VAL A 68 6.290 -16.028 -19.055 1.00 22.23 C ATOM 0 H VAL A 68 2.705 -15.049 -20.696 1.00 52.10 H new ATOM 0 HA VAL A 68 5.459 -15.479 -21.539 1.00 21.04 H new ATOM 0 HB VAL A 68 4.879 -14.453 -19.314 1.00 65.24 H new ATOM 0 HG11 VAL A 68 4.049 -15.919 -17.522 1.00 25.31 H new ATOM 0 HG12 VAL A 68 2.861 -15.744 -18.836 1.00 25.31 H new ATOM 0 HG13 VAL A 68 3.829 -17.232 -18.703 1.00 25.31 H new ATOM 0 HG21 VAL A 68 6.471 -15.799 -18.005 1.00 22.23 H new ATOM 0 HG22 VAL A 68 6.349 -17.106 -19.207 1.00 22.23 H new ATOM 0 HG23 VAL A 68 7.043 -15.534 -19.669 1.00 22.23 H new ATOM 1007 N GLU A 69 3.275 -17.850 -21.110 1.00 75.43 N ATOM 1008 CA GLU A 69 3.024 -19.278 -21.269 1.00 73.14 C ATOM 1009 C GLU A 69 2.650 -19.607 -22.712 1.00 22.41 C ATOM 1010 O GLU A 69 1.476 -19.790 -23.035 1.00 11.02 O ATOM 1011 CB GLU A 69 1.907 -19.731 -20.326 1.00 3.41 C ATOM 1012 CG GLU A 69 1.739 -21.239 -20.261 1.00 62.35 C ATOM 1013 CD GLU A 69 2.855 -21.918 -19.491 1.00 61.32 C ATOM 1014 OE1 GLU A 69 3.006 -21.629 -18.286 1.00 43.11 O ATOM 1015 OE2 GLU A 69 3.577 -22.740 -20.095 1.00 0.34 O ATOM 0 H GLU A 69 2.434 -17.283 -21.002 1.00 75.43 H new ATOM 0 HA GLU A 69 3.941 -19.812 -21.018 1.00 73.14 H new ATOM 0 HB2 GLU A 69 2.113 -19.354 -19.324 1.00 3.41 H new ATOM 0 HB3 GLU A 69 0.967 -19.283 -20.648 1.00 3.41 H new ATOM 0 HG2 GLU A 69 0.784 -21.474 -19.792 1.00 62.35 H new ATOM 0 HG3 GLU A 69 1.705 -21.641 -21.274 1.00 62.35 H new ATOM 1022 N HIS A 70 3.658 -19.681 -23.576 1.00 32.02 N ATOM 1023 CA HIS A 70 3.436 -19.988 -24.984 1.00 62.24 C ATOM 1024 C HIS A 70 4.151 -21.277 -25.378 1.00 72.42 C ATOM 1025 O HIS A 70 5.297 -21.507 -24.991 1.00 42.15 O ATOM 1026 CB HIS A 70 3.921 -18.834 -25.862 1.00 72.03 C ATOM 1027 CG HIS A 70 3.534 -18.974 -27.303 1.00 4.25 C ATOM 1028 ND1 HIS A 70 4.444 -19.243 -28.303 1.00 43.42 N ATOM 1029 CD2 HIS A 70 2.327 -18.882 -27.908 1.00 64.22 C ATOM 1030 CE1 HIS A 70 3.814 -19.309 -29.462 1.00 50.53 C ATOM 1031 NE2 HIS A 70 2.528 -19.094 -29.250 1.00 41.11 N ATOM 0 H HIS A 70 4.636 -19.533 -23.326 1.00 32.02 H new ATOM 0 HA HIS A 70 2.365 -20.125 -25.136 1.00 62.24 H new ATOM 0 HB2 HIS A 70 3.516 -17.899 -25.475 1.00 72.03 H new ATOM 0 HB3 HIS A 70 5.007 -18.765 -25.791 1.00 72.03 H new ATOM 0 HD2 HIS A 70 1.382 -18.680 -27.426 1.00 64.22 H new ATOM 0 HE1 HIS A 70 4.272 -19.505 -30.420 1.00 50.53 H new ATOM 0 HE2 HIS A 70 1.802 -19.087 -29.967 1.00 41.11 H new ATOM 1039 N HIS A 71 3.466 -22.116 -26.149 1.00 71.40 N ATOM 1040 CA HIS A 71 4.036 -23.383 -26.595 1.00 55.10 C ATOM 1041 C HIS A 71 4.601 -23.257 -28.006 1.00 64.13 C ATOM 1042 O HIS A 71 4.334 -24.094 -28.869 1.00 40.03 O ATOM 1043 CB HIS A 71 2.977 -24.485 -26.554 1.00 34.10 C ATOM 1044 CG HIS A 71 2.680 -24.980 -25.172 1.00 2.33 C ATOM 1045 ND1 HIS A 71 1.699 -25.909 -24.899 1.00 71.54 N ATOM 1046 CD2 HIS A 71 3.244 -24.670 -23.981 1.00 13.23 C ATOM 1047 CE1 HIS A 71 1.670 -26.149 -23.600 1.00 45.35 C ATOM 1048 NE2 HIS A 71 2.598 -25.409 -23.020 1.00 65.32 N ATOM 0 H HIS A 71 2.516 -21.942 -26.478 1.00 71.40 H new ATOM 0 HA HIS A 71 4.849 -23.646 -25.919 1.00 55.10 H new ATOM 0 HB2 HIS A 71 2.057 -24.110 -27.002 1.00 34.10 H new ATOM 0 HB3 HIS A 71 3.312 -25.322 -27.167 1.00 34.10 H new ATOM 0 HD2 HIS A 71 4.051 -23.972 -23.817 1.00 13.23 H new ATOM 0 HE1 HIS A 71 1.002 -26.833 -23.098 1.00 45.35 H new ATOM 0 HE2 HIS A 71 2.802 -25.390 -22.021 1.00 65.32 H new TER 1056 HIS A 71