USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 397 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 -152:sc= -0.0444 (180deg=-0.697) USER MOD Set 1.2: A 18 TYR OH : rot 150:sc= 1.33 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 148:sc= -0.0869 (180deg=-0.746) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0436 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 89:sc= -0.105 USER MOD Single : A 19 TYR OH : rot -41:sc= 0.59 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00131 USER MOD Single : A 33 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.16) USER MOD Single : A 45 HIS : no HD1:sc= -0.671 X(o=-0.67,f=-0.3) USER MOD Single : A 47 THR OG1 : rot -140:sc= -0.586 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.963 -3.680 -6.259 1.00 30.20 N ATOM 2 CA MET A 1 5.286 -3.595 -6.867 1.00 74.24 C ATOM 3 C MET A 1 6.300 -4.419 -6.081 1.00 32.43 C ATOM 4 O MET A 1 6.782 -3.993 -5.031 1.00 15.00 O ATOM 5 CB MET A 1 5.744 -2.137 -6.942 1.00 35.42 C ATOM 6 CG MET A 1 6.754 -1.873 -8.047 1.00 33.44 C ATOM 7 SD MET A 1 8.456 -2.113 -7.503 1.00 21.31 S ATOM 8 CE MET A 1 8.884 -3.614 -8.381 1.00 73.45 C ATOM 0 H1 MET A 1 3.290 -3.111 -6.811 1.00 30.20 H new ATOM 0 H2 MET A 1 3.650 -4.672 -6.246 1.00 30.20 H new ATOM 0 H3 MET A 1 4.005 -3.318 -5.285 1.00 30.20 H new ATOM 0 HA MET A 1 5.221 -4.000 -7.877 1.00 74.24 H new ATOM 0 HB2 MET A 1 4.874 -1.499 -7.096 1.00 35.42 H new ATOM 0 HB3 MET A 1 6.182 -1.853 -5.985 1.00 35.42 H new ATOM 0 HG2 MET A 1 6.548 -2.535 -8.888 1.00 33.44 H new ATOM 0 HG3 MET A 1 6.633 -0.852 -8.409 1.00 33.44 H new ATOM 0 HE1 MET A 1 9.645 -4.158 -7.822 1.00 73.45 H new ATOM 0 HE2 MET A 1 7.997 -4.238 -8.489 1.00 73.45 H new ATOM 0 HE3 MET A 1 9.271 -3.360 -9.368 1.00 73.45 H new ATOM 18 N LYS A 2 6.620 -5.602 -6.594 1.00 60.33 N ATOM 19 CA LYS A 2 7.578 -6.487 -5.941 1.00 53.40 C ATOM 20 C LYS A 2 8.676 -6.911 -6.911 1.00 32.10 C ATOM 21 O LYS A 2 8.458 -6.979 -8.121 1.00 40.12 O ATOM 22 CB LYS A 2 6.866 -7.723 -5.387 1.00 71.02 C ATOM 23 CG LYS A 2 5.591 -7.401 -4.627 1.00 72.32 C ATOM 24 CD LYS A 2 5.273 -8.469 -3.594 1.00 3.15 C ATOM 25 CE LYS A 2 3.836 -8.952 -3.714 1.00 41.24 C ATOM 26 NZ LYS A 2 3.546 -9.496 -5.070 1.00 12.40 N ATOM 0 H LYS A 2 6.230 -5.971 -7.461 1.00 60.33 H new ATOM 0 HA LYS A 2 8.037 -5.940 -5.117 1.00 53.40 H new ATOM 0 HB2 LYS A 2 6.628 -8.395 -6.212 1.00 71.02 H new ATOM 0 HB3 LYS A 2 7.547 -8.259 -4.726 1.00 71.02 H new ATOM 0 HG2 LYS A 2 5.695 -6.435 -4.133 1.00 72.32 H new ATOM 0 HG3 LYS A 2 4.761 -7.313 -5.328 1.00 72.32 H new ATOM 0 HD2 LYS A 2 5.953 -9.312 -3.720 1.00 3.15 H new ATOM 0 HD3 LYS A 2 5.441 -8.070 -2.594 1.00 3.15 H new ATOM 0 HE2 LYS A 2 3.648 -9.722 -2.966 1.00 41.24 H new ATOM 0 HE3 LYS A 2 3.156 -8.127 -3.500 1.00 41.24 H new ATOM 0 HZ1 LYS A 2 2.843 -10.258 -4.995 1.00 12.40 H new ATOM 0 HZ2 LYS A 2 3.172 -8.738 -5.675 1.00 12.40 H new ATOM 0 HZ3 LYS A 2 4.421 -9.872 -5.488 1.00 12.40 H new ATOM 40 N THR A 3 9.857 -7.198 -6.372 1.00 51.42 N ATOM 41 CA THR A 3 10.989 -7.616 -7.190 1.00 13.13 C ATOM 42 C THR A 3 11.790 -8.713 -6.499 1.00 4.13 C ATOM 43 O THR A 3 11.809 -8.802 -5.271 1.00 21.41 O ATOM 44 CB THR A 3 11.923 -6.432 -7.503 1.00 24.23 C ATOM 45 OG1 THR A 3 13.083 -6.896 -8.203 1.00 4.14 O ATOM 46 CG2 THR A 3 12.346 -5.724 -6.225 1.00 13.54 C ATOM 0 H THR A 3 10.054 -7.149 -5.372 1.00 51.42 H new ATOM 0 HA THR A 3 10.580 -8.002 -8.124 1.00 13.13 H new ATOM 0 HB THR A 3 11.379 -5.724 -8.129 1.00 24.23 H new ATOM 0 HG1 THR A 3 13.671 -6.137 -8.400 1.00 4.14 H new ATOM 0 HG21 THR A 3 13.005 -4.892 -6.471 1.00 13.54 H new ATOM 0 HG22 THR A 3 11.463 -5.347 -5.708 1.00 13.54 H new ATOM 0 HG23 THR A 3 12.873 -6.425 -5.578 1.00 13.54 H new ATOM 54 N PHE A 4 12.453 -9.546 -7.295 1.00 13.14 N ATOM 55 CA PHE A 4 13.257 -10.638 -6.759 1.00 32.12 C ATOM 56 C PHE A 4 14.579 -10.118 -6.202 1.00 13.23 C ATOM 57 O PHE A 4 15.417 -9.605 -6.942 1.00 25.02 O ATOM 58 CB PHE A 4 13.524 -11.683 -7.844 1.00 72.02 C ATOM 59 CG PHE A 4 12.303 -12.045 -8.641 1.00 43.34 C ATOM 60 CD1 PHE A 4 11.138 -12.444 -8.006 1.00 62.05 C ATOM 61 CD2 PHE A 4 12.321 -11.985 -10.025 1.00 52.35 C ATOM 62 CE1 PHE A 4 10.014 -12.778 -8.738 1.00 21.02 C ATOM 63 CE2 PHE A 4 11.199 -12.317 -10.762 1.00 65.22 C ATOM 64 CZ PHE A 4 10.044 -12.713 -10.117 1.00 63.42 C ATOM 0 H PHE A 4 12.449 -9.485 -8.313 1.00 13.14 H new ATOM 0 HA PHE A 4 12.698 -11.102 -5.946 1.00 32.12 H new ATOM 0 HB2 PHE A 4 14.291 -11.305 -8.520 1.00 72.02 H new ATOM 0 HB3 PHE A 4 13.925 -12.584 -7.379 1.00 72.02 H new ATOM 0 HD1 PHE A 4 11.108 -12.495 -6.928 1.00 62.05 H new ATOM 0 HD2 PHE A 4 13.222 -11.675 -10.534 1.00 52.35 H new ATOM 0 HE1 PHE A 4 9.113 -13.090 -8.231 1.00 21.02 H new ATOM 0 HE2 PHE A 4 11.226 -12.267 -11.840 1.00 65.22 H new ATOM 0 HZ PHE A 4 9.166 -12.971 -10.690 1.00 63.42 H new ATOM 74 N ALA A 5 14.756 -10.254 -4.892 1.00 1.44 N ATOM 75 CA ALA A 5 15.975 -9.799 -4.235 1.00 23.23 C ATOM 76 C ALA A 5 17.133 -10.754 -4.505 1.00 21.01 C ATOM 77 O ALA A 5 17.139 -11.890 -4.028 1.00 2.43 O ATOM 78 CB ALA A 5 15.746 -9.655 -2.738 1.00 31.15 C ATOM 0 H ALA A 5 14.071 -10.676 -4.265 1.00 1.44 H new ATOM 0 HA ALA A 5 16.238 -8.824 -4.647 1.00 23.23 H new ATOM 0 HB1 ALA A 5 16.665 -9.315 -2.260 1.00 31.15 H new ATOM 0 HB2 ALA A 5 14.953 -8.928 -2.559 1.00 31.15 H new ATOM 0 HB3 ALA A 5 15.455 -10.619 -2.320 1.00 31.15 H new ATOM 84 N LEU A 6 18.111 -10.288 -5.273 1.00 43.32 N ATOM 85 CA LEU A 6 19.275 -11.101 -5.608 1.00 3.02 C ATOM 86 C LEU A 6 20.529 -10.564 -4.925 1.00 21.43 C ATOM 87 O LEU A 6 20.463 -9.617 -4.142 1.00 30.55 O ATOM 88 CB LEU A 6 19.481 -11.134 -7.123 1.00 54.53 C ATOM 89 CG LEU A 6 18.218 -11.311 -7.968 1.00 65.10 C ATOM 90 CD1 LEU A 6 18.520 -11.060 -9.437 1.00 52.23 C ATOM 91 CD2 LEU A 6 17.637 -12.703 -7.772 1.00 33.45 C ATOM 0 H LEU A 6 18.121 -9.351 -5.676 1.00 43.32 H new ATOM 0 HA LEU A 6 19.094 -12.115 -5.250 1.00 3.02 H new ATOM 0 HB2 LEU A 6 19.968 -10.207 -7.424 1.00 54.53 H new ATOM 0 HB3 LEU A 6 20.169 -11.946 -7.359 1.00 54.53 H new ATOM 0 HG LEU A 6 17.479 -10.581 -7.640 1.00 65.10 H new ATOM 0 HD11 LEU A 6 17.610 -11.190 -10.023 1.00 52.23 H new ATOM 0 HD12 LEU A 6 18.891 -10.043 -9.564 1.00 52.23 H new ATOM 0 HD13 LEU A 6 19.276 -11.767 -9.779 1.00 52.23 H new ATOM 0 HD21 LEU A 6 16.739 -12.811 -8.380 1.00 33.45 H new ATOM 0 HD22 LEU A 6 18.372 -13.450 -8.073 1.00 33.45 H new ATOM 0 HD23 LEU A 6 17.383 -12.847 -6.722 1.00 33.45 H new ATOM 103 N GLN A 7 21.670 -11.175 -5.229 1.00 12.10 N ATOM 104 CA GLN A 7 22.939 -10.757 -4.645 1.00 52.10 C ATOM 105 C GLN A 7 23.156 -9.259 -4.830 1.00 51.30 C ATOM 106 O GLN A 7 23.113 -8.749 -5.949 1.00 4.43 O ATOM 107 CB GLN A 7 24.095 -11.534 -5.276 1.00 44.34 C ATOM 108 CG GLN A 7 24.263 -11.272 -6.765 1.00 20.54 C ATOM 109 CD GLN A 7 25.256 -12.216 -7.415 1.00 35.24 C ATOM 110 OE1 GLN A 7 24.871 -13.198 -8.051 1.00 41.54 O ATOM 111 NE2 GLN A 7 26.541 -11.924 -7.257 1.00 42.24 N ATOM 0 H GLN A 7 21.741 -11.960 -5.876 1.00 12.10 H new ATOM 0 HA GLN A 7 22.907 -10.971 -3.577 1.00 52.10 H new ATOM 0 HB2 GLN A 7 25.020 -11.273 -4.763 1.00 44.34 H new ATOM 0 HB3 GLN A 7 23.934 -12.600 -5.119 1.00 44.34 H new ATOM 0 HG2 GLN A 7 23.296 -11.371 -7.259 1.00 20.54 H new ATOM 0 HG3 GLN A 7 24.593 -10.244 -6.914 1.00 20.54 H new ATOM 0 HE21 GLN A 7 26.815 -11.100 -6.722 1.00 42.24 H new ATOM 0 HE22 GLN A 7 27.255 -12.524 -7.671 1.00 42.24 H new ATOM 120 N GLY A 8 23.389 -8.558 -3.724 1.00 75.20 N ATOM 121 CA GLY A 8 23.608 -7.125 -3.786 1.00 63.01 C ATOM 122 C GLY A 8 22.357 -6.363 -4.176 1.00 63.13 C ATOM 123 O GLY A 8 22.432 -5.209 -4.598 1.00 54.22 O ATOM 0 H GLY A 8 23.430 -8.957 -2.786 1.00 75.20 H new ATOM 0 HA2 GLY A 8 23.957 -6.772 -2.816 1.00 63.01 H new ATOM 0 HA3 GLY A 8 24.398 -6.912 -4.506 1.00 63.01 H new ATOM 127 N ASP A 9 21.205 -7.010 -4.037 1.00 43.42 N ATOM 128 CA ASP A 9 19.932 -6.386 -4.379 1.00 2.31 C ATOM 129 C ASP A 9 18.961 -6.453 -3.204 1.00 63.33 C ATOM 130 O ASP A 9 17.744 -6.426 -3.388 1.00 11.20 O ATOM 131 CB ASP A 9 19.319 -7.066 -5.604 1.00 32.55 C ATOM 132 CG ASP A 9 19.907 -6.557 -6.905 1.00 22.05 C ATOM 133 OD1 ASP A 9 20.116 -5.331 -7.022 1.00 31.20 O ATOM 134 OD2 ASP A 9 20.160 -7.384 -7.805 1.00 72.30 O ATOM 0 H ASP A 9 21.126 -7.966 -3.690 1.00 43.42 H new ATOM 0 HA ASP A 9 20.120 -5.338 -4.612 1.00 2.31 H new ATOM 0 HB2 ASP A 9 19.476 -8.142 -5.535 1.00 32.55 H new ATOM 0 HB3 ASP A 9 18.242 -6.900 -5.606 1.00 32.55 H new ATOM 139 N THR A 10 19.508 -6.543 -1.996 1.00 32.04 N ATOM 140 CA THR A 10 18.691 -6.617 -0.791 1.00 12.00 C ATOM 141 C THR A 10 18.022 -5.279 -0.497 1.00 73.15 C ATOM 142 O THR A 10 18.245 -4.294 -1.202 1.00 40.20 O ATOM 143 CB THR A 10 19.529 -7.038 0.431 1.00 34.11 C ATOM 144 OG1 THR A 10 20.256 -5.913 0.937 1.00 22.53 O ATOM 145 CG2 THR A 10 20.498 -8.152 0.065 1.00 75.31 C ATOM 0 H THR A 10 20.513 -6.566 -1.826 1.00 32.04 H new ATOM 0 HA THR A 10 17.925 -7.371 -0.975 1.00 12.00 H new ATOM 0 HB THR A 10 18.850 -7.407 1.200 1.00 34.11 H new ATOM 0 HG1 THR A 10 20.785 -6.188 1.715 1.00 22.53 H new ATOM 0 HG21 THR A 10 21.079 -8.432 0.944 1.00 75.31 H new ATOM 0 HG22 THR A 10 19.940 -9.017 -0.292 1.00 75.31 H new ATOM 0 HG23 THR A 10 21.171 -7.806 -0.719 1.00 75.31 H new ATOM 153 N LEU A 11 17.201 -5.250 0.547 1.00 71.14 N ATOM 154 CA LEU A 11 16.499 -4.031 0.934 1.00 20.44 C ATOM 155 C LEU A 11 17.464 -2.854 1.030 1.00 22.23 C ATOM 156 O LEU A 11 17.173 -1.759 0.549 1.00 11.03 O ATOM 157 CB LEU A 11 15.788 -4.233 2.274 1.00 71.14 C ATOM 158 CG LEU A 11 14.818 -5.413 2.348 1.00 51.25 C ATOM 159 CD1 LEU A 11 14.374 -5.650 3.783 1.00 51.34 C ATOM 160 CD2 LEU A 11 13.614 -5.171 1.448 1.00 5.11 C ATOM 0 H LEU A 11 17.005 -6.056 1.140 1.00 71.14 H new ATOM 0 HA LEU A 11 15.758 -3.808 0.166 1.00 20.44 H new ATOM 0 HB2 LEU A 11 16.544 -4.361 3.048 1.00 71.14 H new ATOM 0 HB3 LEU A 11 15.239 -3.322 2.512 1.00 71.14 H new ATOM 0 HG LEU A 11 15.335 -6.306 1.997 1.00 51.25 H new ATOM 0 HD11 LEU A 11 13.684 -6.493 3.816 1.00 51.34 H new ATOM 0 HD12 LEU A 11 15.244 -5.869 4.402 1.00 51.34 H new ATOM 0 HD13 LEU A 11 13.875 -4.758 4.161 1.00 51.34 H new ATOM 0 HD21 LEU A 11 12.934 -6.021 1.513 1.00 5.11 H new ATOM 0 HD22 LEU A 11 13.096 -4.267 1.768 1.00 5.11 H new ATOM 0 HD23 LEU A 11 13.948 -5.052 0.417 1.00 5.11 H new ATOM 172 N ASP A 12 18.614 -3.088 1.652 1.00 24.24 N ATOM 173 CA ASP A 12 19.625 -2.048 1.809 1.00 74.25 C ATOM 174 C ASP A 12 19.981 -1.430 0.460 1.00 12.22 C ATOM 175 O ASP A 12 20.283 -0.240 0.372 1.00 22.24 O ATOM 176 CB ASP A 12 20.880 -2.622 2.468 1.00 12.42 C ATOM 177 CG ASP A 12 22.043 -1.649 2.443 1.00 72.44 C ATOM 178 OD1 ASP A 12 21.895 -0.533 2.983 1.00 25.13 O ATOM 179 OD2 ASP A 12 23.101 -2.005 1.883 1.00 74.12 O ATOM 0 H ASP A 12 18.870 -3.989 2.056 1.00 24.24 H new ATOM 0 HA ASP A 12 19.213 -1.268 2.449 1.00 74.25 H new ATOM 0 HB2 ASP A 12 20.655 -2.889 3.501 1.00 12.42 H new ATOM 0 HB3 ASP A 12 21.168 -3.541 1.957 1.00 12.42 H new ATOM 184 N ALA A 13 19.944 -2.246 -0.588 1.00 32.32 N ATOM 185 CA ALA A 13 20.262 -1.779 -1.931 1.00 73.35 C ATOM 186 C ALA A 13 19.023 -1.225 -2.627 1.00 42.13 C ATOM 187 O ALA A 13 19.008 -0.073 -3.062 1.00 73.03 O ATOM 188 CB ALA A 13 20.870 -2.907 -2.752 1.00 20.11 C ATOM 0 H ALA A 13 19.697 -3.234 -0.532 1.00 32.32 H new ATOM 0 HA ALA A 13 20.990 -0.973 -1.846 1.00 73.35 H new ATOM 0 HB1 ALA A 13 21.103 -2.544 -3.753 1.00 20.11 H new ATOM 0 HB2 ALA A 13 21.784 -3.255 -2.271 1.00 20.11 H new ATOM 0 HB3 ALA A 13 20.159 -3.731 -2.821 1.00 20.11 H new ATOM 194 N ILE A 14 17.988 -2.051 -2.729 1.00 71.45 N ATOM 195 CA ILE A 14 16.745 -1.643 -3.372 1.00 42.44 C ATOM 196 C ILE A 14 16.248 -0.314 -2.813 1.00 30.12 C ATOM 197 O ILE A 14 15.899 0.597 -3.565 1.00 65.43 O ATOM 198 CB ILE A 14 15.644 -2.705 -3.196 1.00 63.15 C ATOM 199 CG1 ILE A 14 16.052 -4.011 -3.882 1.00 34.25 C ATOM 200 CG2 ILE A 14 14.324 -2.197 -3.755 1.00 53.03 C ATOM 201 CD1 ILE A 14 15.139 -5.173 -3.558 1.00 74.25 C ATOM 0 H ILE A 14 17.985 -3.007 -2.375 1.00 71.45 H new ATOM 0 HA ILE A 14 16.962 -1.530 -4.434 1.00 42.44 H new ATOM 0 HB ILE A 14 15.514 -2.900 -2.132 1.00 63.15 H new ATOM 0 HG12 ILE A 14 16.063 -3.857 -4.961 1.00 34.25 H new ATOM 0 HG13 ILE A 14 17.070 -4.265 -3.586 1.00 34.25 H new ATOM 0 HG21 ILE A 14 13.556 -2.959 -3.623 1.00 53.03 H new ATOM 0 HG22 ILE A 14 14.030 -1.290 -3.227 1.00 53.03 H new ATOM 0 HG23 ILE A 14 14.439 -1.977 -4.816 1.00 53.03 H new ATOM 0 HD11 ILE A 14 15.487 -6.065 -4.078 1.00 74.25 H new ATOM 0 HD12 ILE A 14 15.147 -5.353 -2.483 1.00 74.25 H new ATOM 0 HD13 ILE A 14 14.124 -4.939 -3.879 1.00 74.25 H new ATOM 213 N CYS A 15 16.219 -0.210 -1.489 1.00 4.21 N ATOM 214 CA CYS A 15 15.766 1.009 -0.827 1.00 72.55 C ATOM 215 C CYS A 15 16.577 2.214 -1.292 1.00 60.30 C ATOM 216 O CYS A 15 16.087 3.343 -1.290 1.00 42.14 O ATOM 217 CB CYS A 15 15.874 0.860 0.691 1.00 43.02 C ATOM 218 SG CYS A 15 14.632 -0.236 1.416 1.00 42.21 S ATOM 0 H CYS A 15 16.504 -0.955 -0.853 1.00 4.21 H new ATOM 0 HA CYS A 15 14.722 1.172 -1.095 1.00 72.55 H new ATOM 0 HB2 CYS A 15 16.866 0.481 0.938 1.00 43.02 H new ATOM 0 HB3 CYS A 15 15.785 1.845 1.149 1.00 43.02 H new ATOM 0 HG CYS A 15 15.078 -1.457 1.417 1.00 42.21 H new ATOM 224 N VAL A 16 17.822 1.966 -1.688 1.00 75.20 N ATOM 225 CA VAL A 16 18.702 3.030 -2.155 1.00 13.33 C ATOM 226 C VAL A 16 18.514 3.284 -3.646 1.00 42.22 C ATOM 227 O VAL A 16 18.692 4.405 -4.123 1.00 4.23 O ATOM 228 CB VAL A 16 20.180 2.695 -1.884 1.00 44.11 C ATOM 229 CG1 VAL A 16 21.087 3.763 -2.476 1.00 3.43 C ATOM 230 CG2 VAL A 16 20.427 2.542 -0.391 1.00 11.02 C ATOM 0 H VAL A 16 18.243 1.037 -1.694 1.00 75.20 H new ATOM 0 HA VAL A 16 18.434 3.929 -1.600 1.00 13.33 H new ATOM 0 HB VAL A 16 20.413 1.746 -2.366 1.00 44.11 H new ATOM 0 HG11 VAL A 16 22.128 3.509 -2.274 1.00 3.43 H new ATOM 0 HG12 VAL A 16 20.929 3.818 -3.553 1.00 3.43 H new ATOM 0 HG13 VAL A 16 20.855 4.728 -2.025 1.00 3.43 H new ATOM 0 HG21 VAL A 16 21.477 2.305 -0.218 1.00 11.02 H new ATOM 0 HG22 VAL A 16 20.177 3.474 0.117 1.00 11.02 H new ATOM 0 HG23 VAL A 16 19.805 1.737 0.000 1.00 11.02 H new ATOM 240 N ARG A 17 18.153 2.236 -4.378 1.00 60.55 N ATOM 241 CA ARG A 17 17.942 2.344 -5.817 1.00 12.41 C ATOM 242 C ARG A 17 16.521 2.809 -6.124 1.00 43.51 C ATOM 243 O ARG A 17 16.205 3.164 -7.260 1.00 4.30 O ATOM 244 CB ARG A 17 18.208 1.000 -6.496 1.00 73.22 C ATOM 245 CG ARG A 17 16.969 0.128 -6.627 1.00 44.34 C ATOM 246 CD ARG A 17 17.308 -1.238 -7.203 1.00 1.10 C ATOM 247 NE ARG A 17 17.912 -1.139 -8.529 1.00 4.32 N ATOM 248 CZ ARG A 17 18.541 -2.144 -9.127 1.00 61.40 C ATOM 249 NH1 ARG A 17 18.647 -3.319 -8.521 1.00 1.22 N ATOM 250 NH2 ARG A 17 19.065 -1.977 -10.335 1.00 1.45 N ATOM 0 H ARG A 17 18.000 1.302 -3.999 1.00 60.55 H new ATOM 0 HA ARG A 17 18.641 3.084 -6.207 1.00 12.41 H new ATOM 0 HB2 ARG A 17 18.622 1.179 -7.488 1.00 73.22 H new ATOM 0 HB3 ARG A 17 18.964 0.459 -5.928 1.00 73.22 H new ATOM 0 HG2 ARG A 17 16.503 0.006 -5.649 1.00 44.34 H new ATOM 0 HG3 ARG A 17 16.240 0.624 -7.268 1.00 44.34 H new ATOM 0 HD2 ARG A 17 17.993 -1.755 -6.531 1.00 1.10 H new ATOM 0 HD3 ARG A 17 16.402 -1.842 -7.262 1.00 1.10 H new ATOM 0 HE ARG A 17 17.847 -0.249 -9.023 1.00 4.32 H new ATOM 0 HH11 ARG A 17 18.245 -3.452 -7.593 1.00 1.22 H new ATOM 0 HH12 ARG A 17 19.131 -4.089 -8.983 1.00 1.22 H new ATOM 0 HH21 ARG A 17 18.985 -1.076 -10.805 1.00 1.45 H new ATOM 0 HH22 ARG A 17 19.548 -2.750 -10.793 1.00 1.45 H new ATOM 264 N TYR A 18 15.669 2.804 -5.105 1.00 5.51 N ATOM 265 CA TYR A 18 14.282 3.223 -5.266 1.00 60.23 C ATOM 266 C TYR A 18 14.038 4.571 -4.596 1.00 0.32 C ATOM 267 O TYR A 18 13.688 5.551 -5.255 1.00 20.25 O ATOM 268 CB TYR A 18 13.339 2.171 -4.680 1.00 52.00 C ATOM 269 CG TYR A 18 12.796 1.204 -5.708 1.00 52.31 C ATOM 270 CD1 TYR A 18 13.547 0.114 -6.131 1.00 14.34 C ATOM 271 CD2 TYR A 18 11.531 1.381 -6.256 1.00 61.32 C ATOM 272 CE1 TYR A 18 13.055 -0.771 -7.070 1.00 54.22 C ATOM 273 CE2 TYR A 18 11.030 0.500 -7.195 1.00 64.32 C ATOM 274 CZ TYR A 18 11.796 -0.574 -7.599 1.00 61.03 C ATOM 275 OH TYR A 18 11.302 -1.454 -8.534 1.00 71.34 O ATOM 0 H TYR A 18 15.915 2.514 -4.158 1.00 5.51 H new ATOM 0 HA TYR A 18 14.082 3.327 -6.332 1.00 60.23 H new ATOM 0 HB2 TYR A 18 13.868 1.610 -3.910 1.00 52.00 H new ATOM 0 HB3 TYR A 18 12.505 2.675 -4.191 1.00 52.00 H new ATOM 0 HD1 TYR A 18 14.532 -0.044 -5.718 1.00 14.34 H new ATOM 0 HD2 TYR A 18 10.930 2.221 -5.942 1.00 61.32 H new ATOM 0 HE1 TYR A 18 13.652 -1.613 -7.388 1.00 54.22 H new ATOM 0 HE2 TYR A 18 10.045 0.651 -7.610 1.00 64.32 H new ATOM 0 HH TYR A 18 10.326 -1.496 -8.460 1.00 71.34 H new ATOM 285 N TYR A 19 14.226 4.613 -3.282 1.00 1.45 N ATOM 286 CA TYR A 19 14.025 5.840 -2.520 1.00 2.24 C ATOM 287 C TYR A 19 15.338 6.600 -2.354 1.00 30.44 C ATOM 288 O TYR A 19 15.363 7.830 -2.364 1.00 73.50 O ATOM 289 CB TYR A 19 13.430 5.521 -1.147 1.00 5.31 C ATOM 290 CG TYR A 19 12.380 4.434 -1.180 1.00 11.51 C ATOM 291 CD1 TYR A 19 11.069 4.720 -1.540 1.00 75.44 C ATOM 292 CD2 TYR A 19 12.698 3.123 -0.850 1.00 31.03 C ATOM 293 CE1 TYR A 19 10.105 3.730 -1.571 1.00 50.13 C ATOM 294 CE2 TYR A 19 11.741 2.127 -0.879 1.00 63.23 C ATOM 295 CZ TYR A 19 10.446 2.435 -1.240 1.00 44.34 C ATOM 296 OH TYR A 19 9.490 1.446 -1.270 1.00 2.13 O ATOM 0 H TYR A 19 14.517 3.812 -2.722 1.00 1.45 H new ATOM 0 HA TYR A 19 13.329 6.471 -3.073 1.00 2.24 H new ATOM 0 HB2 TYR A 19 14.232 5.219 -0.474 1.00 5.31 H new ATOM 0 HB3 TYR A 19 12.990 6.427 -0.732 1.00 5.31 H new ATOM 0 HD1 TYR A 19 10.799 5.733 -1.800 1.00 75.44 H new ATOM 0 HD2 TYR A 19 13.711 2.878 -0.566 1.00 31.03 H new ATOM 0 HE1 TYR A 19 9.090 3.969 -1.853 1.00 50.13 H new ATOM 0 HE2 TYR A 19 12.006 1.112 -0.620 1.00 63.23 H new ATOM 0 HH TYR A 19 8.652 1.789 -0.894 1.00 2.13 H new ATOM 306 N GLY A 20 16.429 5.855 -2.201 1.00 4.51 N ATOM 307 CA GLY A 20 17.732 6.474 -2.035 1.00 53.03 C ATOM 308 C GLY A 20 18.110 6.648 -0.578 1.00 14.43 C ATOM 309 O GLY A 20 18.908 7.521 -0.237 1.00 11.43 O ATOM 0 H GLY A 20 16.434 4.835 -2.189 1.00 4.51 H new ATOM 0 HA2 GLY A 20 18.486 5.864 -2.532 1.00 53.03 H new ATOM 0 HA3 GLY A 20 17.734 7.447 -2.526 1.00 53.03 H new ATOM 313 N ARG A 21 17.534 5.817 0.285 1.00 50.13 N ATOM 314 CA ARG A 21 17.813 5.885 1.714 1.00 11.51 C ATOM 315 C ARG A 21 17.316 4.630 2.426 1.00 41.44 C ATOM 316 O ARG A 21 16.456 3.913 1.915 1.00 74.44 O ATOM 317 CB ARG A 21 17.156 7.125 2.325 1.00 72.32 C ATOM 318 CG ARG A 21 15.644 7.151 2.171 1.00 31.31 C ATOM 319 CD ARG A 21 15.229 7.773 0.847 1.00 62.32 C ATOM 320 NE ARG A 21 13.942 8.456 0.942 1.00 32.52 N ATOM 321 CZ ARG A 21 13.783 9.649 1.503 1.00 34.15 C ATOM 322 NH1 ARG A 21 14.825 10.288 2.016 1.00 12.24 N ATOM 323 NH2 ARG A 21 12.579 10.205 1.552 1.00 40.40 N ATOM 0 H ARG A 21 16.871 5.089 0.019 1.00 50.13 H new ATOM 0 HA ARG A 21 18.893 5.952 1.845 1.00 11.51 H new ATOM 0 HB2 ARG A 21 17.406 7.173 3.385 1.00 72.32 H new ATOM 0 HB3 ARG A 21 17.576 8.016 1.858 1.00 72.32 H new ATOM 0 HG2 ARG A 21 15.253 6.135 2.235 1.00 31.31 H new ATOM 0 HG3 ARG A 21 15.203 7.715 2.993 1.00 31.31 H new ATOM 0 HD2 ARG A 21 15.992 8.481 0.524 1.00 62.32 H new ATOM 0 HD3 ARG A 21 15.172 6.997 0.084 1.00 62.32 H new ATOM 0 HE ARG A 21 13.120 7.991 0.556 1.00 32.52 H new ATOM 0 HH11 ARG A 21 15.752 9.863 1.980 1.00 12.24 H new ATOM 0 HH12 ARG A 21 14.700 11.204 2.446 1.00 12.24 H new ATOM 0 HH21 ARG A 21 11.775 9.716 1.159 1.00 40.40 H new ATOM 0 HH22 ARG A 21 12.458 11.121 1.983 1.00 40.40 H new ATOM 337 N THR A 22 17.864 4.371 3.609 1.00 65.55 N ATOM 338 CA THR A 22 17.479 3.202 4.390 1.00 40.05 C ATOM 339 C THR A 22 16.830 3.611 5.707 1.00 72.23 C ATOM 340 O THR A 22 16.045 2.857 6.282 1.00 4.31 O ATOM 341 CB THR A 22 18.692 2.300 4.686 1.00 33.33 C ATOM 342 OG1 THR A 22 19.875 3.096 4.814 1.00 20.22 O ATOM 343 CG2 THR A 22 18.884 1.271 3.582 1.00 35.34 C ATOM 0 H THR A 22 18.576 4.955 4.047 1.00 65.55 H new ATOM 0 HA THR A 22 16.759 2.644 3.791 1.00 40.05 H new ATOM 0 HB THR A 22 18.505 1.774 5.622 1.00 33.33 H new ATOM 0 HG1 THR A 22 20.641 2.515 5.004 1.00 20.22 H new ATOM 0 HG21 THR A 22 19.746 0.646 3.813 1.00 35.34 H new ATOM 0 HG22 THR A 22 17.993 0.647 3.507 1.00 35.34 H new ATOM 0 HG23 THR A 22 19.050 1.782 2.633 1.00 35.34 H new ATOM 351 N GLU A 23 17.162 4.809 6.178 1.00 34.31 N ATOM 352 CA GLU A 23 16.610 5.316 7.429 1.00 55.54 C ATOM 353 C GLU A 23 15.173 5.795 7.235 1.00 65.11 C ATOM 354 O GLU A 23 14.925 6.789 6.554 1.00 63.01 O ATOM 355 CB GLU A 23 17.472 6.461 7.965 1.00 31.11 C ATOM 356 CG GLU A 23 17.256 6.745 9.442 1.00 20.01 C ATOM 357 CD GLU A 23 17.945 5.734 10.338 1.00 64.15 C ATOM 358 OE1 GLU A 23 18.861 5.038 9.850 1.00 33.32 O ATOM 359 OE2 GLU A 23 17.570 5.638 11.524 1.00 11.35 O ATOM 0 H GLU A 23 17.809 5.446 5.713 1.00 34.31 H new ATOM 0 HA GLU A 23 16.609 4.501 8.153 1.00 55.54 H new ATOM 0 HB2 GLU A 23 18.523 6.222 7.799 1.00 31.11 H new ATOM 0 HB3 GLU A 23 17.257 7.365 7.395 1.00 31.11 H new ATOM 0 HG2 GLU A 23 17.627 7.743 9.674 1.00 20.01 H new ATOM 0 HG3 GLU A 23 16.187 6.745 9.656 1.00 20.01 H new ATOM 366 N GLY A 24 14.230 5.078 7.839 1.00 4.31 N ATOM 367 CA GLY A 24 12.831 5.444 7.721 1.00 71.32 C ATOM 368 C GLY A 24 12.100 4.612 6.686 1.00 31.41 C ATOM 369 O GLY A 24 10.871 4.538 6.694 1.00 60.45 O ATOM 0 H GLY A 24 14.410 4.251 8.408 1.00 4.31 H new ATOM 0 HA2 GLY A 24 12.344 5.324 8.689 1.00 71.32 H new ATOM 0 HA3 GLY A 24 12.756 6.498 7.455 1.00 71.32 H new ATOM 373 N VAL A 25 12.857 3.984 5.791 1.00 14.13 N ATOM 374 CA VAL A 25 12.273 3.153 4.745 1.00 43.43 C ATOM 375 C VAL A 25 12.285 1.681 5.141 1.00 43.33 C ATOM 376 O VAL A 25 11.277 0.986 5.017 1.00 20.34 O ATOM 377 CB VAL A 25 13.025 3.321 3.411 1.00 50.02 C ATOM 378 CG1 VAL A 25 12.294 2.597 2.291 1.00 75.02 C ATOM 379 CG2 VAL A 25 13.199 4.795 3.079 1.00 12.53 C ATOM 0 H VAL A 25 13.875 4.035 5.770 1.00 14.13 H new ATOM 0 HA VAL A 25 11.242 3.483 4.617 1.00 43.43 H new ATOM 0 HB VAL A 25 14.015 2.876 3.514 1.00 50.02 H new ATOM 0 HG11 VAL A 25 12.840 2.727 1.357 1.00 75.02 H new ATOM 0 HG12 VAL A 25 12.227 1.535 2.527 1.00 75.02 H new ATOM 0 HG13 VAL A 25 11.291 3.009 2.185 1.00 75.02 H new ATOM 0 HG21 VAL A 25 13.732 4.895 2.134 1.00 12.53 H new ATOM 0 HG22 VAL A 25 12.220 5.267 2.995 1.00 12.53 H new ATOM 0 HG23 VAL A 25 13.770 5.281 3.870 1.00 12.53 H new ATOM 389 N VAL A 26 13.434 1.212 5.618 1.00 33.10 N ATOM 390 CA VAL A 26 13.577 -0.178 6.034 1.00 25.04 C ATOM 391 C VAL A 26 12.485 -0.571 7.023 1.00 64.43 C ATOM 392 O VAL A 26 12.012 -1.707 7.019 1.00 32.02 O ATOM 393 CB VAL A 26 14.953 -0.431 6.679 1.00 63.42 C ATOM 394 CG1 VAL A 26 16.066 -0.223 5.662 1.00 34.05 C ATOM 395 CG2 VAL A 26 15.149 0.470 7.888 1.00 11.41 C ATOM 0 H VAL A 26 14.278 1.774 5.726 1.00 33.10 H new ATOM 0 HA VAL A 26 13.486 -0.789 5.136 1.00 25.04 H new ATOM 0 HB VAL A 26 14.991 -1.467 7.017 1.00 63.42 H new ATOM 0 HG11 VAL A 26 17.031 -0.406 6.136 1.00 34.05 H new ATOM 0 HG12 VAL A 26 15.933 -0.915 4.830 1.00 34.05 H new ATOM 0 HG13 VAL A 26 16.033 0.801 5.291 1.00 34.05 H new ATOM 0 HG21 VAL A 26 16.126 0.277 8.331 1.00 11.41 H new ATOM 0 HG22 VAL A 26 15.090 1.513 7.578 1.00 11.41 H new ATOM 0 HG23 VAL A 26 14.371 0.266 8.624 1.00 11.41 H new ATOM 405 N GLU A 27 12.090 0.376 7.868 1.00 61.14 N ATOM 406 CA GLU A 27 11.053 0.127 8.862 1.00 3.32 C ATOM 407 C GLU A 27 9.725 -0.208 8.191 1.00 74.51 C ATOM 408 O GLU A 27 8.941 -1.009 8.703 1.00 42.10 O ATOM 409 CB GLU A 27 10.884 1.347 9.771 1.00 62.40 C ATOM 410 CG GLU A 27 11.887 1.400 10.911 1.00 23.21 C ATOM 411 CD GLU A 27 11.526 2.435 11.958 1.00 10.32 C ATOM 412 OE1 GLU A 27 10.527 2.227 12.678 1.00 75.14 O ATOM 413 OE2 GLU A 27 12.242 3.454 12.058 1.00 33.42 O ATOM 0 H GLU A 27 12.472 1.322 7.884 1.00 61.14 H new ATOM 0 HA GLU A 27 11.361 -0.727 9.465 1.00 3.32 H new ATOM 0 HB2 GLU A 27 10.980 2.252 9.172 1.00 62.40 H new ATOM 0 HB3 GLU A 27 9.876 1.344 10.185 1.00 62.40 H new ATOM 0 HG2 GLU A 27 11.949 0.419 11.382 1.00 23.21 H new ATOM 0 HG3 GLU A 27 12.876 1.624 10.510 1.00 23.21 H new ATOM 420 N THR A 28 9.477 0.410 7.040 1.00 34.14 N ATOM 421 CA THR A 28 8.243 0.179 6.299 1.00 3.10 C ATOM 422 C THR A 28 8.223 -1.216 5.686 1.00 21.52 C ATOM 423 O THR A 28 7.387 -2.048 6.039 1.00 73.25 O ATOM 424 CB THR A 28 8.057 1.221 5.180 1.00 11.54 C ATOM 425 OG1 THR A 28 8.490 2.509 5.633 1.00 15.14 O ATOM 426 CG2 THR A 28 6.601 1.294 4.746 1.00 51.14 C ATOM 0 H THR A 28 10.115 1.074 6.601 1.00 34.14 H new ATOM 0 HA THR A 28 7.424 0.272 7.012 1.00 3.10 H new ATOM 0 HB THR A 28 8.660 0.915 4.325 1.00 11.54 H new ATOM 0 HG1 THR A 28 8.370 3.165 4.915 1.00 15.14 H new ATOM 0 HG21 THR A 28 6.494 2.036 3.955 1.00 51.14 H new ATOM 0 HG22 THR A 28 6.283 0.320 4.375 1.00 51.14 H new ATOM 0 HG23 THR A 28 5.982 1.578 5.597 1.00 51.14 H new ATOM 434 N VAL A 29 9.150 -1.468 4.767 1.00 51.41 N ATOM 435 CA VAL A 29 9.240 -2.764 4.106 1.00 75.11 C ATOM 436 C VAL A 29 9.276 -3.898 5.124 1.00 64.42 C ATOM 437 O VAL A 29 8.715 -4.971 4.895 1.00 1.24 O ATOM 438 CB VAL A 29 10.489 -2.852 3.210 1.00 63.10 C ATOM 439 CG1 VAL A 29 10.504 -4.164 2.441 1.00 31.40 C ATOM 440 CG2 VAL A 29 10.547 -1.666 2.259 1.00 72.54 C ATOM 0 H VAL A 29 9.850 -0.791 4.463 1.00 51.41 H new ATOM 0 HA VAL A 29 8.350 -2.865 3.485 1.00 75.11 H new ATOM 0 HB VAL A 29 11.374 -2.822 3.846 1.00 63.10 H new ATOM 0 HG11 VAL A 29 11.394 -4.208 1.813 1.00 31.40 H new ATOM 0 HG12 VAL A 29 10.514 -4.997 3.143 1.00 31.40 H new ATOM 0 HG13 VAL A 29 9.615 -4.229 1.814 1.00 31.40 H new ATOM 0 HG21 VAL A 29 11.436 -1.744 1.633 1.00 72.54 H new ATOM 0 HG22 VAL A 29 9.658 -1.662 1.628 1.00 72.54 H new ATOM 0 HG23 VAL A 29 10.588 -0.741 2.834 1.00 72.54 H new ATOM 450 N LEU A 30 9.940 -3.655 6.248 1.00 23.34 N ATOM 451 CA LEU A 30 10.051 -4.657 7.304 1.00 55.54 C ATOM 452 C LEU A 30 8.671 -5.126 7.755 1.00 62.44 C ATOM 453 O LEU A 30 8.431 -6.324 7.906 1.00 42.25 O ATOM 454 CB LEU A 30 10.823 -4.088 8.495 1.00 11.50 C ATOM 455 CG LEU A 30 11.127 -5.068 9.628 1.00 64.42 C ATOM 456 CD1 LEU A 30 12.327 -5.934 9.276 1.00 24.02 C ATOM 457 CD2 LEU A 30 11.371 -4.320 10.930 1.00 34.13 C ATOM 0 H LEU A 30 10.410 -2.773 6.453 1.00 23.34 H new ATOM 0 HA LEU A 30 10.593 -5.513 6.904 1.00 55.54 H new ATOM 0 HB2 LEU A 30 11.766 -3.682 8.130 1.00 11.50 H new ATOM 0 HB3 LEU A 30 10.254 -3.254 8.906 1.00 11.50 H new ATOM 0 HG LEU A 30 10.262 -5.718 9.763 1.00 64.42 H new ATOM 0 HD11 LEU A 30 12.529 -6.626 10.094 1.00 24.02 H new ATOM 0 HD12 LEU A 30 12.115 -6.498 8.368 1.00 24.02 H new ATOM 0 HD13 LEU A 30 13.198 -5.300 9.114 1.00 24.02 H new ATOM 0 HD21 LEU A 30 11.586 -5.034 11.725 1.00 34.13 H new ATOM 0 HD22 LEU A 30 12.219 -3.646 10.809 1.00 34.13 H new ATOM 0 HD23 LEU A 30 10.483 -3.743 11.190 1.00 34.13 H new ATOM 469 N ALA A 31 7.768 -4.175 7.966 1.00 33.02 N ATOM 470 CA ALA A 31 6.411 -4.492 8.396 1.00 42.35 C ATOM 471 C ALA A 31 5.676 -5.304 7.336 1.00 75.44 C ATOM 472 O ALA A 31 4.857 -6.165 7.657 1.00 14.23 O ATOM 473 CB ALA A 31 5.646 -3.215 8.710 1.00 14.01 C ATOM 0 H ALA A 31 7.951 -3.179 7.846 1.00 33.02 H new ATOM 0 HA ALA A 31 6.474 -5.097 9.301 1.00 42.35 H new ATOM 0 HB1 ALA A 31 4.635 -3.466 9.030 1.00 14.01 H new ATOM 0 HB2 ALA A 31 6.155 -2.673 9.507 1.00 14.01 H new ATOM 0 HB3 ALA A 31 5.600 -2.590 7.818 1.00 14.01 H new ATOM 479 N ALA A 32 5.973 -5.025 6.071 1.00 74.23 N ATOM 480 CA ALA A 32 5.340 -5.732 4.964 1.00 41.54 C ATOM 481 C ALA A 32 5.968 -7.106 4.759 1.00 35.35 C ATOM 482 O ALA A 32 5.337 -8.012 4.217 1.00 73.42 O ATOM 483 CB ALA A 32 5.439 -4.909 3.687 1.00 24.23 C ATOM 0 H ALA A 32 6.648 -4.315 5.787 1.00 74.23 H new ATOM 0 HA ALA A 32 4.288 -5.875 5.211 1.00 41.54 H new ATOM 0 HB1 ALA A 32 4.962 -5.449 2.869 1.00 24.23 H new ATOM 0 HB2 ALA A 32 4.938 -3.952 3.831 1.00 24.23 H new ATOM 0 HB3 ALA A 32 6.488 -4.736 3.446 1.00 24.23 H new ATOM 489 N ASN A 33 7.214 -7.254 5.197 1.00 13.14 N ATOM 490 CA ASN A 33 7.927 -8.519 5.061 1.00 10.42 C ATOM 491 C ASN A 33 8.719 -8.836 6.326 1.00 13.43 C ATOM 492 O ASN A 33 9.945 -8.730 6.364 1.00 73.20 O ATOM 493 CB ASN A 33 8.868 -8.470 3.856 1.00 62.11 C ATOM 494 CG ASN A 33 8.185 -8.897 2.571 1.00 13.32 C ATOM 495 OD1 ASN A 33 8.365 -10.021 2.103 1.00 42.23 O ATOM 496 ND2 ASN A 33 7.395 -7.998 1.995 1.00 71.23 N ATOM 0 H ASN A 33 7.751 -6.514 5.649 1.00 13.14 H new ATOM 0 HA ASN A 33 7.191 -9.308 4.907 1.00 10.42 H new ATOM 0 HB2 ASN A 33 9.253 -7.457 3.740 1.00 62.11 H new ATOM 0 HB3 ASN A 33 9.725 -9.118 4.041 1.00 62.11 H new ATOM 0 HD21 ASN A 33 6.908 -8.228 1.129 1.00 71.23 H new ATOM 0 HD22 ASN A 33 7.275 -7.078 2.419 1.00 71.23 H new ATOM 503 N PRO A 34 8.003 -9.234 7.388 1.00 34.31 N ATOM 504 CA PRO A 34 8.617 -9.576 8.674 1.00 22.13 C ATOM 505 C PRO A 34 9.421 -10.870 8.607 1.00 33.30 C ATOM 506 O PRO A 34 9.128 -11.753 7.801 1.00 3.23 O ATOM 507 CB PRO A 34 7.416 -9.740 9.609 1.00 61.41 C ATOM 508 CG PRO A 34 6.284 -10.102 8.711 1.00 52.53 C ATOM 509 CD PRO A 34 6.538 -9.383 7.415 1.00 53.54 C ATOM 0 HA PRO A 34 9.328 -8.817 9.001 1.00 22.13 H new ATOM 0 HB2 PRO A 34 7.596 -10.517 10.352 1.00 61.41 H new ATOM 0 HB3 PRO A 34 7.210 -8.819 10.154 1.00 61.41 H new ATOM 0 HG2 PRO A 34 6.238 -11.180 8.557 1.00 52.53 H new ATOM 0 HG3 PRO A 34 5.330 -9.801 9.144 1.00 52.53 H new ATOM 0 HD2 PRO A 34 6.177 -9.955 6.561 1.00 53.54 H new ATOM 0 HD3 PRO A 34 6.035 -8.416 7.387 1.00 53.54 H new ATOM 517 N GLY A 35 10.435 -10.977 9.460 1.00 44.22 N ATOM 518 CA GLY A 35 11.265 -12.167 9.481 1.00 61.35 C ATOM 519 C GLY A 35 12.486 -12.038 8.591 1.00 21.55 C ATOM 520 O GLY A 35 13.468 -12.762 8.764 1.00 41.20 O ATOM 0 H GLY A 35 10.697 -10.260 10.137 1.00 44.22 H new ATOM 0 HA2 GLY A 35 11.584 -12.366 10.504 1.00 61.35 H new ATOM 0 HA3 GLY A 35 10.674 -13.024 9.159 1.00 61.35 H new ATOM 524 N LEU A 36 12.426 -11.117 7.637 1.00 50.04 N ATOM 525 CA LEU A 36 13.535 -10.897 6.715 1.00 2.40 C ATOM 526 C LEU A 36 14.774 -10.411 7.461 1.00 63.55 C ATOM 527 O LEU A 36 15.903 -10.702 7.064 1.00 34.14 O ATOM 528 CB LEU A 36 13.139 -9.879 5.644 1.00 45.12 C ATOM 529 CG LEU A 36 13.774 -10.074 4.266 1.00 13.41 C ATOM 530 CD1 LEU A 36 15.284 -9.909 4.345 1.00 35.45 C ATOM 531 CD2 LEU A 36 13.413 -11.440 3.701 1.00 11.22 C ATOM 0 H LEU A 36 11.621 -10.510 7.481 1.00 50.04 H new ATOM 0 HA LEU A 36 13.771 -11.847 6.235 1.00 2.40 H new ATOM 0 HB2 LEU A 36 12.055 -9.905 5.530 1.00 45.12 H new ATOM 0 HB3 LEU A 36 13.398 -8.883 6.004 1.00 45.12 H new ATOM 0 HG LEU A 36 13.381 -9.310 3.595 1.00 13.41 H new ATOM 0 HD11 LEU A 36 15.718 -10.051 3.355 1.00 35.45 H new ATOM 0 HD12 LEU A 36 15.522 -8.908 4.705 1.00 35.45 H new ATOM 0 HD13 LEU A 36 15.695 -10.649 5.031 1.00 35.45 H new ATOM 0 HD21 LEU A 36 13.873 -11.561 2.720 1.00 11.22 H new ATOM 0 HD22 LEU A 36 13.777 -12.219 4.371 1.00 11.22 H new ATOM 0 HD23 LEU A 36 12.330 -11.520 3.606 1.00 11.22 H new ATOM 543 N ALA A 37 14.556 -9.672 8.543 1.00 33.42 N ATOM 544 CA ALA A 37 15.654 -9.151 9.347 1.00 43.33 C ATOM 545 C ALA A 37 16.475 -10.283 9.956 1.00 55.30 C ATOM 546 O ALA A 37 17.638 -10.097 10.309 1.00 3.35 O ATOM 547 CB ALA A 37 15.121 -8.236 10.439 1.00 41.40 C ATOM 0 H ALA A 37 13.628 -9.420 8.883 1.00 33.42 H new ATOM 0 HA ALA A 37 16.308 -8.575 8.693 1.00 43.33 H new ATOM 0 HB1 ALA A 37 15.952 -7.854 11.032 1.00 41.40 H new ATOM 0 HB2 ALA A 37 14.585 -7.402 9.986 1.00 41.40 H new ATOM 0 HB3 ALA A 37 14.443 -8.795 11.083 1.00 41.40 H new ATOM 553 N GLU A 38 15.859 -11.455 10.076 1.00 23.01 N ATOM 554 CA GLU A 38 16.534 -12.616 10.645 1.00 73.24 C ATOM 555 C GLU A 38 17.465 -13.260 9.621 1.00 10.42 C ATOM 556 O GLU A 38 18.364 -14.024 9.976 1.00 14.54 O ATOM 557 CB GLU A 38 15.508 -13.641 11.132 1.00 31.44 C ATOM 558 CG GLU A 38 14.765 -13.210 12.386 1.00 70.13 C ATOM 559 CD GLU A 38 15.503 -13.580 13.658 1.00 74.43 C ATOM 560 OE1 GLU A 38 16.073 -14.690 13.710 1.00 24.10 O ATOM 561 OE2 GLU A 38 15.509 -12.762 14.600 1.00 1.43 O ATOM 0 H GLU A 38 14.896 -11.626 9.787 1.00 23.01 H new ATOM 0 HA GLU A 38 17.131 -12.278 11.492 1.00 73.24 H new ATOM 0 HB2 GLU A 38 14.785 -13.825 10.337 1.00 31.44 H new ATOM 0 HB3 GLU A 38 16.015 -14.586 11.327 1.00 31.44 H new ATOM 0 HG2 GLU A 38 14.612 -12.131 12.360 1.00 70.13 H new ATOM 0 HG3 GLU A 38 13.778 -13.672 12.396 1.00 70.13 H new ATOM 568 N LEU A 39 17.244 -12.946 8.349 1.00 34.04 N ATOM 569 CA LEU A 39 18.062 -13.493 7.273 1.00 71.22 C ATOM 570 C LEU A 39 19.545 -13.268 7.548 1.00 42.43 C ATOM 571 O LEU A 39 20.339 -14.208 7.539 1.00 14.22 O ATOM 572 CB LEU A 39 17.676 -12.855 5.937 1.00 2.34 C ATOM 573 CG LEU A 39 17.886 -13.720 4.694 1.00 4.22 C ATOM 574 CD1 LEU A 39 19.135 -14.575 4.844 1.00 43.43 C ATOM 575 CD2 LEU A 39 16.667 -14.594 4.440 1.00 11.22 C ATOM 0 H LEU A 39 16.505 -12.315 8.038 1.00 34.04 H new ATOM 0 HA LEU A 39 17.880 -14.566 7.222 1.00 71.22 H new ATOM 0 HB2 LEU A 39 16.625 -12.570 5.984 1.00 2.34 H new ATOM 0 HB3 LEU A 39 18.250 -11.936 5.817 1.00 2.34 H new ATOM 0 HG LEU A 39 18.021 -13.062 3.836 1.00 4.22 H new ATOM 0 HD11 LEU A 39 19.269 -15.184 3.950 1.00 43.43 H new ATOM 0 HD12 LEU A 39 20.004 -13.930 4.977 1.00 43.43 H new ATOM 0 HD13 LEU A 39 19.029 -15.225 5.713 1.00 43.43 H new ATOM 0 HD21 LEU A 39 16.834 -15.203 3.551 1.00 11.22 H new ATOM 0 HD22 LEU A 39 16.500 -15.244 5.299 1.00 11.22 H new ATOM 0 HD23 LEU A 39 15.792 -13.962 4.287 1.00 11.22 H new ATOM 587 N GLY A 40 19.912 -12.013 7.794 1.00 64.53 N ATOM 588 CA GLY A 40 21.299 -11.687 8.070 1.00 62.20 C ATOM 589 C GLY A 40 22.100 -11.441 6.807 1.00 53.14 C ATOM 590 O GLY A 40 22.175 -10.313 6.321 1.00 13.54 O ATOM 0 H GLY A 40 19.274 -11.217 7.807 1.00 64.53 H new ATOM 0 HA2 GLY A 40 21.342 -10.800 8.702 1.00 62.20 H new ATOM 0 HA3 GLY A 40 21.755 -12.501 8.633 1.00 62.20 H new ATOM 594 N ALA A 41 22.701 -12.499 6.273 1.00 20.32 N ATOM 595 CA ALA A 41 23.500 -12.393 5.059 1.00 53.44 C ATOM 596 C ALA A 41 22.656 -11.898 3.888 1.00 20.44 C ATOM 597 O ALA A 41 21.518 -11.465 4.070 1.00 60.12 O ATOM 598 CB ALA A 41 24.134 -13.735 4.725 1.00 42.44 C ATOM 0 H ALA A 41 22.649 -13.440 6.663 1.00 20.32 H new ATOM 0 HA ALA A 41 24.291 -11.665 5.237 1.00 53.44 H new ATOM 0 HB1 ALA A 41 24.728 -13.641 3.816 1.00 42.44 H new ATOM 0 HB2 ALA A 41 24.777 -14.048 5.547 1.00 42.44 H new ATOM 0 HB3 ALA A 41 23.352 -14.479 4.572 1.00 42.44 H new ATOM 604 N VAL A 42 23.221 -11.965 2.687 1.00 23.52 N ATOM 605 CA VAL A 42 22.521 -11.525 1.487 1.00 73.02 C ATOM 606 C VAL A 42 21.184 -12.243 1.336 1.00 2.10 C ATOM 607 O VAL A 42 21.103 -13.463 1.480 1.00 72.52 O ATOM 608 CB VAL A 42 23.367 -11.767 0.223 1.00 75.14 C ATOM 609 CG1 VAL A 42 23.584 -13.256 0.002 1.00 32.44 C ATOM 610 CG2 VAL A 42 22.705 -11.131 -0.991 1.00 35.44 C ATOM 0 H VAL A 42 24.162 -12.320 2.519 1.00 23.52 H new ATOM 0 HA VAL A 42 22.345 -10.455 1.598 1.00 73.02 H new ATOM 0 HB VAL A 42 24.341 -11.299 0.364 1.00 75.14 H new ATOM 0 HG11 VAL A 42 24.184 -13.407 -0.896 1.00 32.44 H new ATOM 0 HG12 VAL A 42 24.104 -13.679 0.861 1.00 32.44 H new ATOM 0 HG13 VAL A 42 22.620 -13.750 -0.118 1.00 32.44 H new ATOM 0 HG21 VAL A 42 23.316 -11.312 -1.875 1.00 35.44 H new ATOM 0 HG22 VAL A 42 21.717 -11.568 -1.137 1.00 35.44 H new ATOM 0 HG23 VAL A 42 22.607 -10.057 -0.831 1.00 35.44 H new ATOM 620 N LEU A 43 20.138 -11.478 1.045 1.00 52.00 N ATOM 621 CA LEU A 43 18.803 -12.041 0.874 1.00 51.34 C ATOM 622 C LEU A 43 18.820 -13.186 -0.134 1.00 52.42 C ATOM 623 O LEU A 43 19.732 -13.312 -0.952 1.00 32.34 O ATOM 624 CB LEU A 43 17.826 -10.957 0.415 1.00 41.33 C ATOM 625 CG LEU A 43 17.170 -10.132 1.523 1.00 52.05 C ATOM 626 CD1 LEU A 43 18.220 -9.595 2.482 1.00 44.21 C ATOM 627 CD2 LEU A 43 16.355 -8.992 0.928 1.00 65.32 C ATOM 0 H LEU A 43 20.188 -10.467 0.923 1.00 52.00 H new ATOM 0 HA LEU A 43 18.475 -12.433 1.837 1.00 51.34 H new ATOM 0 HB2 LEU A 43 18.356 -10.277 -0.252 1.00 41.33 H new ATOM 0 HB3 LEU A 43 17.039 -11.430 -0.172 1.00 41.33 H new ATOM 0 HG LEU A 43 16.496 -10.781 2.082 1.00 52.05 H new ATOM 0 HD11 LEU A 43 17.734 -9.011 3.263 1.00 44.21 H new ATOM 0 HD12 LEU A 43 18.760 -10.427 2.934 1.00 44.21 H new ATOM 0 HD13 LEU A 43 18.920 -8.961 1.937 1.00 44.21 H new ATOM 0 HD21 LEU A 43 15.895 -8.416 1.731 1.00 65.32 H new ATOM 0 HD22 LEU A 43 17.008 -8.344 0.344 1.00 65.32 H new ATOM 0 HD23 LEU A 43 15.577 -9.399 0.282 1.00 65.32 H new ATOM 639 N PRO A 44 17.787 -14.039 -0.078 1.00 32.32 N ATOM 640 CA PRO A 44 17.658 -15.187 -0.980 1.00 64.33 C ATOM 641 C PRO A 44 17.359 -14.766 -2.415 1.00 32.21 C ATOM 642 O PRO A 44 16.439 -13.987 -2.665 1.00 11.55 O ATOM 643 CB PRO A 44 16.479 -15.968 -0.395 1.00 63.40 C ATOM 644 CG PRO A 44 15.676 -14.950 0.338 1.00 44.31 C ATOM 645 CD PRO A 44 16.664 -13.949 0.871 1.00 62.20 C ATOM 0 HA PRO A 44 18.581 -15.764 -1.040 1.00 64.33 H new ATOM 0 HB2 PRO A 44 15.892 -16.445 -1.180 1.00 63.40 H new ATOM 0 HB3 PRO A 44 16.820 -16.759 0.273 1.00 63.40 H new ATOM 0 HG2 PRO A 44 14.954 -14.472 -0.324 1.00 44.31 H new ATOM 0 HG3 PRO A 44 15.110 -15.409 1.148 1.00 44.31 H new ATOM 0 HD2 PRO A 44 16.242 -12.944 0.900 1.00 62.20 H new ATOM 0 HD3 PRO A 44 16.976 -14.193 1.887 1.00 62.20 H new ATOM 653 N HIS A 45 18.141 -15.287 -3.355 1.00 72.13 N ATOM 654 CA HIS A 45 17.958 -14.965 -4.766 1.00 70.42 C ATOM 655 C HIS A 45 16.699 -15.629 -5.316 1.00 62.40 C ATOM 656 O HIS A 45 16.547 -16.848 -5.245 1.00 74.11 O ATOM 657 CB HIS A 45 19.177 -15.410 -5.574 1.00 45.54 C ATOM 658 CG HIS A 45 19.421 -16.887 -5.529 1.00 13.31 C ATOM 659 ND1 HIS A 45 19.088 -17.736 -6.562 1.00 75.55 N ATOM 660 CD2 HIS A 45 19.970 -17.664 -4.567 1.00 35.35 C ATOM 661 CE1 HIS A 45 19.419 -18.973 -6.237 1.00 63.11 C ATOM 662 NE2 HIS A 45 19.957 -18.957 -5.031 1.00 0.42 N ATOM 0 H HIS A 45 18.907 -15.933 -3.166 1.00 72.13 H new ATOM 0 HA HIS A 45 17.846 -13.884 -4.855 1.00 70.42 H new ATOM 0 HB2 HIS A 45 19.046 -15.104 -6.612 1.00 45.54 H new ATOM 0 HB3 HIS A 45 20.060 -14.893 -5.198 1.00 45.54 H new ATOM 0 HD2 HIS A 45 20.348 -17.330 -3.612 1.00 35.35 H new ATOM 0 HE1 HIS A 45 19.274 -19.848 -6.853 1.00 63.11 H new ATOM 0 HE2 HIS A 45 20.306 -19.772 -4.526 1.00 0.42 H new ATOM 670 N GLY A 46 15.799 -14.818 -5.864 1.00 31.52 N ATOM 671 CA GLY A 46 14.565 -15.345 -6.417 1.00 30.43 C ATOM 672 C GLY A 46 13.363 -15.043 -5.544 1.00 21.53 C ATOM 673 O GLY A 46 12.227 -15.346 -5.911 1.00 21.13 O ATOM 0 H GLY A 46 15.902 -13.806 -5.935 1.00 31.52 H new ATOM 0 HA2 GLY A 46 14.405 -14.922 -7.409 1.00 30.43 H new ATOM 0 HA3 GLY A 46 14.658 -16.424 -6.542 1.00 30.43 H new ATOM 677 N THR A 47 13.612 -14.446 -4.382 1.00 41.14 N ATOM 678 CA THR A 47 12.542 -14.106 -3.453 1.00 42.41 C ATOM 679 C THR A 47 11.995 -12.710 -3.732 1.00 30.42 C ATOM 680 O THR A 47 12.742 -11.733 -3.751 1.00 1.23 O ATOM 681 CB THR A 47 13.025 -14.173 -1.992 1.00 32.01 C ATOM 682 OG1 THR A 47 13.441 -15.506 -1.674 1.00 50.14 O ATOM 683 CG2 THR A 47 11.922 -13.740 -1.037 1.00 44.44 C ATOM 0 H THR A 47 14.546 -14.188 -4.062 1.00 41.14 H new ATOM 0 HA THR A 47 11.750 -14.840 -3.600 1.00 42.41 H new ATOM 0 HB THR A 47 13.869 -13.493 -1.880 1.00 32.01 H new ATOM 0 HG1 THR A 47 13.147 -15.733 -0.767 1.00 50.14 H new ATOM 0 HG21 THR A 47 12.286 -13.796 -0.011 1.00 44.44 H new ATOM 0 HG22 THR A 47 11.627 -12.715 -1.262 1.00 44.44 H new ATOM 0 HG23 THR A 47 11.061 -14.399 -1.152 1.00 44.44 H new ATOM 691 N ALA A 48 10.686 -12.625 -3.947 1.00 63.30 N ATOM 692 CA ALA A 48 10.039 -11.349 -4.222 1.00 12.41 C ATOM 693 C ALA A 48 9.803 -10.564 -2.936 1.00 31.55 C ATOM 694 O ALA A 48 9.358 -11.120 -1.931 1.00 12.41 O ATOM 695 CB ALA A 48 8.724 -11.571 -4.956 1.00 5.45 C ATOM 0 H ALA A 48 10.053 -13.425 -3.936 1.00 63.30 H new ATOM 0 HA ALA A 48 10.703 -10.763 -4.858 1.00 12.41 H new ATOM 0 HB1 ALA A 48 8.251 -10.609 -5.155 1.00 5.45 H new ATOM 0 HB2 ALA A 48 8.916 -12.083 -5.899 1.00 5.45 H new ATOM 0 HB3 ALA A 48 8.062 -12.180 -4.340 1.00 5.45 H new ATOM 701 N VAL A 49 10.105 -9.270 -2.973 1.00 32.52 N ATOM 702 CA VAL A 49 9.925 -8.410 -1.810 1.00 1.32 C ATOM 703 C VAL A 49 8.949 -7.278 -2.110 1.00 10.44 C ATOM 704 O VAL A 49 9.066 -6.598 -3.129 1.00 32.41 O ATOM 705 CB VAL A 49 11.265 -7.808 -1.345 1.00 35.15 C ATOM 706 CG1 VAL A 49 11.075 -7.010 -0.063 1.00 64.24 C ATOM 707 CG2 VAL A 49 12.302 -8.904 -1.152 1.00 32.05 C ATOM 0 H VAL A 49 10.475 -8.795 -3.796 1.00 32.52 H new ATOM 0 HA VAL A 49 9.519 -9.034 -1.014 1.00 1.32 H new ATOM 0 HB VAL A 49 11.627 -7.129 -2.117 1.00 35.15 H new ATOM 0 HG11 VAL A 49 12.032 -6.592 0.251 1.00 64.24 H new ATOM 0 HG12 VAL A 49 10.366 -6.201 -0.240 1.00 64.24 H new ATOM 0 HG13 VAL A 49 10.691 -7.664 0.719 1.00 64.24 H new ATOM 0 HG21 VAL A 49 13.242 -8.461 -0.824 1.00 32.05 H new ATOM 0 HG22 VAL A 49 11.950 -9.609 -0.399 1.00 32.05 H new ATOM 0 HG23 VAL A 49 12.457 -9.428 -2.095 1.00 32.05 H new ATOM 717 N GLU A 50 7.987 -7.081 -1.214 1.00 14.42 N ATOM 718 CA GLU A 50 6.990 -6.030 -1.383 1.00 74.24 C ATOM 719 C GLU A 50 7.587 -4.659 -1.081 1.00 31.04 C ATOM 720 O GLU A 50 8.121 -4.428 0.005 1.00 12.31 O ATOM 721 CB GLU A 50 5.786 -6.287 -0.474 1.00 4.34 C ATOM 722 CG GLU A 50 4.808 -5.126 -0.417 1.00 54.21 C ATOM 723 CD GLU A 50 3.459 -5.527 0.148 1.00 10.24 C ATOM 724 OE1 GLU A 50 3.252 -6.734 0.391 1.00 0.03 O ATOM 725 OE2 GLU A 50 2.610 -4.632 0.348 1.00 25.41 O ATOM 0 H GLU A 50 7.877 -7.635 -0.364 1.00 14.42 H new ATOM 0 HA GLU A 50 6.660 -6.042 -2.422 1.00 74.24 H new ATOM 0 HB2 GLU A 50 5.261 -7.176 -0.823 1.00 4.34 H new ATOM 0 HB3 GLU A 50 6.141 -6.501 0.534 1.00 4.34 H new ATOM 0 HG2 GLU A 50 5.231 -4.329 0.194 1.00 54.21 H new ATOM 0 HG3 GLU A 50 4.672 -4.721 -1.420 1.00 54.21 H new ATOM 732 N LEU A 51 7.494 -3.753 -2.048 1.00 33.13 N ATOM 733 CA LEU A 51 8.025 -2.404 -1.886 1.00 70.12 C ATOM 734 C LEU A 51 6.896 -1.387 -1.754 1.00 43.41 C ATOM 735 O LEU A 51 6.379 -0.865 -2.742 1.00 75.41 O ATOM 736 CB LEU A 51 8.918 -2.041 -3.074 1.00 10.12 C ATOM 737 CG LEU A 51 9.993 -3.064 -3.443 1.00 74.12 C ATOM 738 CD1 LEU A 51 10.840 -2.554 -4.598 1.00 63.54 C ATOM 739 CD2 LEU A 51 10.866 -3.380 -2.237 1.00 54.53 C ATOM 0 H LEU A 51 7.056 -3.928 -2.952 1.00 33.13 H new ATOM 0 HA LEU A 51 8.619 -2.380 -0.972 1.00 70.12 H new ATOM 0 HB2 LEU A 51 8.283 -1.881 -3.945 1.00 10.12 H new ATOM 0 HB3 LEU A 51 9.407 -1.091 -2.858 1.00 10.12 H new ATOM 0 HG LEU A 51 9.500 -3.983 -3.759 1.00 74.12 H new ATOM 0 HD11 LEU A 51 11.600 -3.295 -4.847 1.00 63.54 H new ATOM 0 HD12 LEU A 51 10.204 -2.380 -5.466 1.00 63.54 H new ATOM 0 HD13 LEU A 51 11.324 -1.621 -4.310 1.00 63.54 H new ATOM 0 HD21 LEU A 51 11.625 -4.110 -2.519 1.00 54.53 H new ATOM 0 HD22 LEU A 51 11.351 -2.468 -1.890 1.00 54.53 H new ATOM 0 HD23 LEU A 51 10.248 -3.789 -1.438 1.00 54.53 H new ATOM 751 N PRO A 52 6.506 -1.094 -0.505 1.00 20.34 N ATOM 752 CA PRO A 52 5.437 -0.135 -0.213 1.00 52.33 C ATOM 753 C PRO A 52 5.845 1.301 -0.526 1.00 71.24 C ATOM 754 O PRO A 52 7.026 1.645 -0.476 1.00 13.52 O ATOM 755 CB PRO A 52 5.204 -0.309 1.290 1.00 53.35 C ATOM 756 CG PRO A 52 6.497 -0.828 1.816 1.00 42.32 C ATOM 757 CD PRO A 52 7.079 -1.678 0.720 1.00 11.41 C ATOM 0 HA PRO A 52 4.550 -0.317 -0.819 1.00 52.33 H new ATOM 0 HB2 PRO A 52 4.936 0.637 1.761 1.00 53.35 H new ATOM 0 HB3 PRO A 52 4.389 -1.005 1.486 1.00 53.35 H new ATOM 0 HG2 PRO A 52 7.170 -0.010 2.074 1.00 42.32 H new ATOM 0 HG3 PRO A 52 6.343 -1.413 2.723 1.00 42.32 H new ATOM 0 HD2 PRO A 52 8.168 -1.636 0.714 1.00 11.41 H new ATOM 0 HD3 PRO A 52 6.801 -2.726 0.834 1.00 11.41 H new ATOM 765 N ASP A 53 4.861 2.133 -0.849 1.00 45.44 N ATOM 766 CA ASP A 53 5.118 3.533 -1.169 1.00 65.23 C ATOM 767 C ASP A 53 5.994 3.654 -2.413 1.00 13.02 C ATOM 768 O ASP A 53 6.922 4.462 -2.455 1.00 74.14 O ATOM 769 CB ASP A 53 5.790 4.233 0.013 1.00 45.22 C ATOM 770 CG ASP A 53 5.120 3.911 1.334 1.00 64.31 C ATOM 771 OD1 ASP A 53 4.015 4.436 1.582 1.00 41.02 O ATOM 772 OD2 ASP A 53 5.702 3.134 2.120 1.00 33.24 O ATOM 0 H ASP A 53 3.879 1.863 -0.896 1.00 45.44 H new ATOM 0 HA ASP A 53 4.162 4.016 -1.371 1.00 65.23 H new ATOM 0 HB2 ASP A 53 6.838 3.937 0.059 1.00 45.22 H new ATOM 0 HB3 ASP A 53 5.770 5.311 -0.148 1.00 45.22 H new ATOM 777 N VAL A 54 5.692 2.845 -3.424 1.00 25.25 N ATOM 778 CA VAL A 54 6.451 2.861 -4.668 1.00 44.23 C ATOM 779 C VAL A 54 5.553 3.188 -5.856 1.00 34.33 C ATOM 780 O VAL A 54 4.399 2.761 -5.909 1.00 5.12 O ATOM 781 CB VAL A 54 7.146 1.510 -4.920 1.00 74.43 C ATOM 782 CG1 VAL A 54 7.757 1.474 -6.313 1.00 14.32 C ATOM 783 CG2 VAL A 54 8.203 1.248 -3.858 1.00 51.04 C ATOM 0 H VAL A 54 4.927 2.171 -3.405 1.00 25.25 H new ATOM 0 HA VAL A 54 7.209 3.637 -4.565 1.00 44.23 H new ATOM 0 HB VAL A 54 6.398 0.720 -4.858 1.00 74.43 H new ATOM 0 HG11 VAL A 54 8.243 0.512 -6.472 1.00 14.32 H new ATOM 0 HG12 VAL A 54 6.973 1.612 -7.058 1.00 14.32 H new ATOM 0 HG13 VAL A 54 8.493 2.273 -6.408 1.00 14.32 H new ATOM 0 HG21 VAL A 54 8.684 0.289 -4.052 1.00 51.04 H new ATOM 0 HG22 VAL A 54 8.951 2.041 -3.885 1.00 51.04 H new ATOM 0 HG23 VAL A 54 7.733 1.226 -2.875 1.00 51.04 H new