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 Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.324) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.699 (180deg=-1.04) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 89:sc= -0.314 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -54:sc= 0.767 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.576 X(o=-0.58,f=-0.18) USER MOD Single : A 47 THR OG1 : rot 60:sc= -0.777 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.606 -2.474 -9.072 1.00 43.11 N ATOM 2 CA MET A 1 7.869 -1.798 -8.801 1.00 4.53 C ATOM 3 C MET A 1 8.800 -2.691 -7.987 1.00 4.32 C ATOM 4 O MET A 1 8.793 -2.655 -6.756 1.00 71.01 O ATOM 5 CB MET A 1 7.620 -0.486 -8.054 1.00 10.13 C ATOM 6 CG MET A 1 6.611 0.422 -8.739 1.00 65.43 C ATOM 7 SD MET A 1 5.227 0.856 -7.668 1.00 63.25 S ATOM 8 CE MET A 1 4.192 -0.595 -7.848 1.00 43.11 C ATOM 0 H1 MET A 1 6.074 -1.941 -9.789 1.00 43.11 H new ATOM 0 H2 MET A 1 6.795 -3.434 -9.424 1.00 43.11 H new ATOM 0 H3 MET A 1 6.047 -2.530 -8.197 1.00 43.11 H new ATOM 0 HA MET A 1 8.347 -1.579 -9.756 1.00 4.53 H new ATOM 0 HB2 MET A 1 7.268 -0.712 -7.047 1.00 10.13 H new ATOM 0 HB3 MET A 1 8.565 0.048 -7.949 1.00 10.13 H new ATOM 0 HG2 MET A 1 7.112 1.333 -9.066 1.00 65.43 H new ATOM 0 HG3 MET A 1 6.232 -0.072 -9.634 1.00 65.43 H new ATOM 0 HE1 MET A 1 3.198 -0.384 -7.455 1.00 43.11 H new ATOM 0 HE2 MET A 1 4.117 -0.860 -8.903 1.00 43.11 H new ATOM 0 HE3 MET A 1 4.631 -1.426 -7.296 1.00 43.11 H new ATOM 18 N LYS A 2 9.601 -3.492 -8.681 1.00 43.43 N ATOM 19 CA LYS A 2 10.539 -4.394 -8.024 1.00 3.21 C ATOM 20 C LYS A 2 11.905 -4.347 -8.701 1.00 42.41 C ATOM 21 O LYS A 2 12.008 -4.076 -9.898 1.00 72.42 O ATOM 22 CB LYS A 2 9.999 -5.826 -8.041 1.00 51.52 C ATOM 23 CG LYS A 2 8.531 -5.926 -7.663 1.00 24.42 C ATOM 24 CD LYS A 2 8.255 -7.166 -6.828 1.00 54.34 C ATOM 25 CE LYS A 2 8.223 -8.420 -7.687 1.00 61.55 C ATOM 26 NZ LYS A 2 8.442 -9.652 -6.879 1.00 42.22 N ATOM 0 H LYS A 2 9.619 -3.535 -9.700 1.00 43.43 H new ATOM 0 HA LYS A 2 10.654 -4.068 -6.990 1.00 3.21 H new ATOM 0 HB2 LYS A 2 10.139 -6.246 -9.037 1.00 51.52 H new ATOM 0 HB3 LYS A 2 10.585 -6.435 -7.353 1.00 51.52 H new ATOM 0 HG2 LYS A 2 8.236 -5.037 -7.105 1.00 24.42 H new ATOM 0 HG3 LYS A 2 7.922 -5.951 -8.567 1.00 24.42 H new ATOM 0 HD2 LYS A 2 9.023 -7.268 -6.061 1.00 54.34 H new ATOM 0 HD3 LYS A 2 7.302 -7.053 -6.311 1.00 54.34 H new ATOM 0 HE2 LYS A 2 7.262 -8.486 -8.197 1.00 61.55 H new ATOM 0 HE3 LYS A 2 8.989 -8.351 -8.459 1.00 61.55 H new ATOM 0 HZ1 LYS A 2 8.413 -10.485 -7.501 1.00 42.22 H new ATOM 0 HZ2 LYS A 2 9.370 -9.601 -6.412 1.00 42.22 H new ATOM 0 HZ3 LYS A 2 7.696 -9.732 -6.159 1.00 42.22 H new ATOM 40 N THR A 3 12.954 -4.612 -7.928 1.00 73.40 N ATOM 41 CA THR A 3 14.313 -4.601 -8.453 1.00 41.52 C ATOM 42 C THR A 3 15.171 -5.667 -7.783 1.00 31.53 C ATOM 43 O THR A 3 14.899 -6.078 -6.654 1.00 61.12 O ATOM 44 CB THR A 3 14.979 -3.225 -8.258 1.00 32.23 C ATOM 45 OG1 THR A 3 16.257 -3.204 -8.903 1.00 51.50 O ATOM 46 CG2 THR A 3 15.146 -2.910 -6.779 1.00 22.31 C ATOM 0 H THR A 3 12.888 -4.837 -6.935 1.00 73.40 H new ATOM 0 HA THR A 3 14.241 -4.815 -9.519 1.00 41.52 H new ATOM 0 HB THR A 3 14.335 -2.467 -8.704 1.00 32.23 H new ATOM 0 HG1 THR A 3 16.673 -2.326 -8.776 1.00 51.50 H new ATOM 0 HG21 THR A 3 15.618 -1.934 -6.666 1.00 22.31 H new ATOM 0 HG22 THR A 3 14.169 -2.898 -6.297 1.00 22.31 H new ATOM 0 HG23 THR A 3 15.771 -3.672 -6.313 1.00 22.31 H new ATOM 54 N PHE A 4 16.208 -6.113 -8.484 1.00 3.32 N ATOM 55 CA PHE A 4 17.107 -7.133 -7.956 1.00 35.02 C ATOM 56 C PHE A 4 18.053 -6.539 -6.917 1.00 20.34 C ATOM 57 O PHE A 4 18.627 -5.470 -7.123 1.00 31.41 O ATOM 58 CB PHE A 4 17.912 -7.770 -9.090 1.00 74.41 C ATOM 59 CG PHE A 4 17.079 -8.132 -10.287 1.00 13.13 C ATOM 60 CD1 PHE A 4 15.932 -8.896 -10.144 1.00 32.02 C ATOM 61 CD2 PHE A 4 17.443 -7.708 -11.554 1.00 41.25 C ATOM 62 CE1 PHE A 4 15.163 -9.230 -11.243 1.00 31.13 C ATOM 63 CE2 PHE A 4 16.678 -8.038 -12.657 1.00 31.41 C ATOM 64 CZ PHE A 4 15.537 -8.801 -12.501 1.00 62.51 C ATOM 0 H PHE A 4 16.447 -5.784 -9.419 1.00 3.32 H new ATOM 0 HA PHE A 4 16.502 -7.901 -7.474 1.00 35.02 H new ATOM 0 HB2 PHE A 4 18.697 -7.080 -9.399 1.00 74.41 H new ATOM 0 HB3 PHE A 4 18.405 -8.667 -8.716 1.00 74.41 H new ATOM 0 HD1 PHE A 4 15.635 -9.235 -9.162 1.00 32.02 H new ATOM 0 HD2 PHE A 4 18.335 -7.113 -11.682 1.00 41.25 H new ATOM 0 HE1 PHE A 4 14.271 -9.826 -11.118 1.00 31.13 H new ATOM 0 HE2 PHE A 4 16.972 -7.700 -13.640 1.00 31.41 H new ATOM 0 HZ PHE A 4 14.939 -9.061 -13.361 1.00 62.51 H new ATOM 74 N ALA A 5 18.210 -7.241 -5.799 1.00 0.22 N ATOM 75 CA ALA A 5 19.087 -6.785 -4.728 1.00 2.14 C ATOM 76 C ALA A 5 20.519 -7.260 -4.951 1.00 32.54 C ATOM 77 O ALA A 5 20.846 -8.420 -4.694 1.00 11.13 O ATOM 78 CB ALA A 5 18.572 -7.270 -3.381 1.00 14.12 C ATOM 0 H ALA A 5 17.741 -8.127 -5.612 1.00 0.22 H new ATOM 0 HA ALA A 5 19.088 -5.695 -4.733 1.00 2.14 H new ATOM 0 HB1 ALA A 5 19.237 -6.922 -2.591 1.00 14.12 H new ATOM 0 HB2 ALA A 5 17.570 -6.877 -3.212 1.00 14.12 H new ATOM 0 HB3 ALA A 5 18.540 -8.360 -3.375 1.00 14.12 H new ATOM 84 N LEU A 6 21.369 -6.359 -5.430 1.00 74.24 N ATOM 85 CA LEU A 6 22.766 -6.687 -5.689 1.00 4.02 C ATOM 86 C LEU A 6 23.658 -6.205 -4.549 1.00 44.03 C ATOM 87 O LEU A 6 23.172 -5.687 -3.545 1.00 33.24 O ATOM 88 CB LEU A 6 23.222 -6.061 -7.008 1.00 60.01 C ATOM 89 CG LEU A 6 22.545 -6.592 -8.272 1.00 51.01 C ATOM 90 CD1 LEU A 6 21.898 -5.456 -9.049 1.00 3.42 C ATOM 91 CD2 LEU A 6 23.549 -7.333 -9.144 1.00 14.23 C ATOM 0 H LEU A 6 21.115 -5.395 -5.647 1.00 74.24 H new ATOM 0 HA LEU A 6 22.852 -7.771 -5.760 1.00 4.02 H new ATOM 0 HB2 LEU A 6 23.053 -4.985 -6.954 1.00 60.01 H new ATOM 0 HB3 LEU A 6 24.297 -6.211 -7.106 1.00 60.01 H new ATOM 0 HG LEU A 6 21.764 -7.293 -7.976 1.00 51.01 H new ATOM 0 HD11 LEU A 6 21.421 -5.853 -9.945 1.00 3.42 H new ATOM 0 HD12 LEU A 6 21.149 -4.969 -8.425 1.00 3.42 H new ATOM 0 HD13 LEU A 6 22.660 -4.730 -9.335 1.00 3.42 H new ATOM 0 HD21 LEU A 6 23.050 -7.704 -10.039 1.00 14.23 H new ATOM 0 HD22 LEU A 6 24.352 -6.654 -9.431 1.00 14.23 H new ATOM 0 HD23 LEU A 6 23.965 -8.172 -8.587 1.00 14.23 H new ATOM 103 N GLN A 7 24.966 -6.377 -4.715 1.00 31.44 N ATOM 104 CA GLN A 7 25.926 -5.958 -3.700 1.00 35.31 C ATOM 105 C GLN A 7 25.697 -4.504 -3.303 1.00 4.52 C ATOM 106 O GLN A 7 25.833 -3.597 -4.123 1.00 71.04 O ATOM 107 CB GLN A 7 27.355 -6.141 -4.213 1.00 71.11 C ATOM 108 CG GLN A 7 28.363 -6.438 -3.114 1.00 55.32 C ATOM 109 CD GLN A 7 29.757 -6.689 -3.653 1.00 50.33 C ATOM 110 OE1 GLN A 7 29.939 -6.939 -4.845 1.00 75.12 O ATOM 111 NE2 GLN A 7 30.752 -6.623 -2.776 1.00 52.33 N ATOM 0 H GLN A 7 25.385 -6.803 -5.542 1.00 31.44 H new ATOM 0 HA GLN A 7 25.782 -6.583 -2.819 1.00 35.31 H new ATOM 0 HB2 GLN A 7 27.370 -6.955 -4.938 1.00 71.11 H new ATOM 0 HB3 GLN A 7 27.661 -5.238 -4.741 1.00 71.11 H new ATOM 0 HG2 GLN A 7 28.392 -5.600 -2.417 1.00 55.32 H new ATOM 0 HG3 GLN A 7 28.033 -7.310 -2.550 1.00 55.32 H new ATOM 0 HE21 GLN A 7 30.556 -6.413 -1.797 1.00 52.33 H new ATOM 0 HE22 GLN A 7 31.712 -6.782 -3.081 1.00 52.33 H new ATOM 120 N GLY A 8 25.350 -4.288 -2.038 1.00 14.14 N ATOM 121 CA GLY A 8 25.108 -2.941 -1.554 1.00 33.30 C ATOM 122 C GLY A 8 23.827 -2.348 -2.107 1.00 42.12 C ATOM 123 O GLY A 8 23.686 -1.128 -2.191 1.00 10.31 O ATOM 0 H GLY A 8 25.232 -5.022 -1.339 1.00 14.14 H new ATOM 0 HA2 GLY A 8 25.059 -2.953 -0.465 1.00 33.30 H new ATOM 0 HA3 GLY A 8 25.948 -2.303 -1.828 1.00 33.30 H new ATOM 127 N ASP A 9 22.893 -3.212 -2.487 1.00 74.02 N ATOM 128 CA ASP A 9 21.617 -2.766 -3.036 1.00 61.52 C ATOM 129 C ASP A 9 20.451 -3.368 -2.258 1.00 51.22 C ATOM 130 O ASP A 9 19.350 -3.521 -2.788 1.00 14.12 O ATOM 131 CB ASP A 9 21.512 -3.149 -4.513 1.00 41.34 C ATOM 132 CG ASP A 9 22.130 -2.108 -5.426 1.00 52.22 C ATOM 133 OD1 ASP A 9 23.143 -1.496 -5.028 1.00 42.42 O ATOM 134 OD2 ASP A 9 21.600 -1.906 -6.539 1.00 5.22 O ATOM 0 H ASP A 9 22.995 -4.225 -2.425 1.00 74.02 H new ATOM 0 HA ASP A 9 21.569 -1.681 -2.945 1.00 61.52 H new ATOM 0 HB2 ASP A 9 22.006 -4.107 -4.673 1.00 41.34 H new ATOM 0 HB3 ASP A 9 20.463 -3.283 -4.777 1.00 41.34 H new ATOM 139 N THR A 10 20.700 -3.709 -0.998 1.00 10.35 N ATOM 140 CA THR A 10 19.672 -4.295 -0.147 1.00 62.40 C ATOM 141 C THR A 10 18.612 -3.265 0.225 1.00 4.13 C ATOM 142 O THR A 10 18.703 -2.099 -0.161 1.00 53.22 O ATOM 143 CB THR A 10 20.277 -4.882 1.143 1.00 43.45 C ATOM 144 OG1 THR A 10 20.654 -3.824 2.031 1.00 23.25 O ATOM 145 CG2 THR A 10 21.491 -5.743 0.828 1.00 73.33 C ATOM 0 H THR A 10 21.605 -3.589 -0.544 1.00 10.35 H new ATOM 0 HA THR A 10 19.208 -5.098 -0.720 1.00 62.40 H new ATOM 0 HB THR A 10 19.523 -5.507 1.621 1.00 43.45 H new ATOM 0 HG1 THR A 10 21.036 -4.204 2.849 1.00 23.25 H new ATOM 0 HG21 THR A 10 21.901 -6.146 1.754 1.00 73.33 H new ATOM 0 HG22 THR A 10 21.195 -6.564 0.174 1.00 73.33 H new ATOM 0 HG23 THR A 10 22.248 -5.137 0.330 1.00 73.33 H new ATOM 153 N LEU A 11 17.609 -3.701 0.978 1.00 34.02 N ATOM 154 CA LEU A 11 16.531 -2.815 1.404 1.00 34.31 C ATOM 155 C LEU A 11 17.088 -1.538 2.023 1.00 1.34 C ATOM 156 O LEU A 11 16.643 -0.435 1.703 1.00 31.35 O ATOM 157 CB LEU A 11 15.624 -3.529 2.409 1.00 62.05 C ATOM 158 CG LEU A 11 15.185 -4.944 2.029 1.00 54.52 C ATOM 159 CD1 LEU A 11 14.209 -5.494 3.058 1.00 44.30 C ATOM 160 CD2 LEU A 11 14.560 -4.953 0.641 1.00 23.51 C ATOM 0 H LEU A 11 17.519 -4.663 1.306 1.00 34.02 H new ATOM 0 HA LEU A 11 15.947 -2.545 0.524 1.00 34.31 H new ATOM 0 HB2 LEU A 11 16.142 -3.576 3.367 1.00 62.05 H new ATOM 0 HB3 LEU A 11 14.732 -2.921 2.559 1.00 62.05 H new ATOM 0 HG LEU A 11 16.066 -5.586 2.014 1.00 54.52 H new ATOM 0 HD11 LEU A 11 13.907 -6.501 2.771 1.00 44.30 H new ATOM 0 HD12 LEU A 11 14.690 -5.523 4.036 1.00 44.30 H new ATOM 0 HD13 LEU A 11 13.330 -4.852 3.105 1.00 44.30 H new ATOM 0 HD21 LEU A 11 14.253 -5.968 0.387 1.00 23.51 H new ATOM 0 HD22 LEU A 11 13.689 -4.297 0.630 1.00 23.51 H new ATOM 0 HD23 LEU A 11 15.289 -4.601 -0.089 1.00 23.51 H new ATOM 172 N ASP A 12 18.066 -1.694 2.909 1.00 14.43 N ATOM 173 CA ASP A 12 18.687 -0.552 3.571 1.00 31.32 C ATOM 174 C ASP A 12 19.219 0.446 2.548 1.00 62.12 C ATOM 175 O ASP A 12 19.256 1.650 2.801 1.00 31.52 O ATOM 176 CB ASP A 12 19.822 -1.020 4.483 1.00 32.45 C ATOM 177 CG ASP A 12 20.439 0.119 5.270 1.00 23.24 C ATOM 178 OD1 ASP A 12 19.827 1.207 5.320 1.00 64.43 O ATOM 179 OD2 ASP A 12 21.534 -0.078 5.838 1.00 40.42 O ATOM 0 H ASP A 12 18.446 -2.599 3.185 1.00 14.43 H new ATOM 0 HA ASP A 12 17.927 -0.056 4.175 1.00 31.32 H new ATOM 0 HB2 ASP A 12 19.442 -1.772 5.175 1.00 32.45 H new ATOM 0 HB3 ASP A 12 20.593 -1.501 3.881 1.00 32.45 H new ATOM 184 N ALA A 13 19.632 -0.063 1.391 1.00 34.14 N ATOM 185 CA ALA A 13 20.161 0.784 0.330 1.00 71.34 C ATOM 186 C ALA A 13 19.042 1.307 -0.565 1.00 20.51 C ATOM 187 O ALA A 13 18.867 2.516 -0.712 1.00 53.41 O ATOM 188 CB ALA A 13 21.184 0.018 -0.495 1.00 65.34 C ATOM 0 H ALA A 13 19.610 -1.058 1.166 1.00 34.14 H new ATOM 0 HA ALA A 13 20.651 1.641 0.793 1.00 71.34 H new ATOM 0 HB1 ALA A 13 21.571 0.663 -1.284 1.00 65.34 H new ATOM 0 HB2 ALA A 13 22.004 -0.301 0.148 1.00 65.34 H new ATOM 0 HB3 ALA A 13 20.711 -0.857 -0.941 1.00 65.34 H new ATOM 194 N ILE A 14 18.289 0.388 -1.160 1.00 53.11 N ATOM 195 CA ILE A 14 17.187 0.758 -2.040 1.00 33.43 C ATOM 196 C ILE A 14 16.259 1.763 -1.366 1.00 41.21 C ATOM 197 O ILE A 14 15.856 2.755 -1.974 1.00 53.24 O ATOM 198 CB ILE A 14 16.367 -0.475 -2.464 1.00 63.41 C ATOM 199 CG1 ILE A 14 17.241 -1.446 -3.262 1.00 2.24 C ATOM 200 CG2 ILE A 14 15.156 -0.051 -3.281 1.00 42.12 C ATOM 201 CD1 ILE A 14 16.619 -2.813 -3.439 1.00 71.02 C ATOM 0 H ILE A 14 18.422 -0.617 -1.049 1.00 53.11 H new ATOM 0 HA ILE A 14 17.630 1.213 -2.926 1.00 33.43 H new ATOM 0 HB ILE A 14 16.015 -0.985 -1.567 1.00 63.41 H new ATOM 0 HG12 ILE A 14 17.443 -1.018 -4.244 1.00 2.24 H new ATOM 0 HG13 ILE A 14 18.202 -1.555 -2.759 1.00 2.24 H new ATOM 0 HG21 ILE A 14 14.587 -0.934 -3.573 1.00 42.12 H new ATOM 0 HG22 ILE A 14 14.525 0.606 -2.682 1.00 42.12 H new ATOM 0 HG23 ILE A 14 15.487 0.479 -4.174 1.00 42.12 H new ATOM 0 HD11 ILE A 14 17.293 -3.448 -4.013 1.00 71.02 H new ATOM 0 HD12 ILE A 14 16.443 -3.262 -2.461 1.00 71.02 H new ATOM 0 HD13 ILE A 14 15.672 -2.716 -3.970 1.00 71.02 H new ATOM 213 N CYS A 15 15.926 1.501 -0.107 1.00 42.32 N ATOM 214 CA CYS A 15 15.046 2.384 0.651 1.00 45.34 C ATOM 215 C CYS A 15 15.612 3.800 0.705 1.00 62.43 C ATOM 216 O CYS A 15 14.868 4.773 0.823 1.00 11.01 O ATOM 217 CB CYS A 15 14.848 1.847 2.069 1.00 63.45 C ATOM 218 SG CYS A 15 13.723 0.435 2.172 1.00 22.02 S ATOM 0 H CYS A 15 16.252 0.685 0.411 1.00 42.32 H new ATOM 0 HA CYS A 15 14.081 2.416 0.145 1.00 45.34 H new ATOM 0 HB2 CYS A 15 15.817 1.556 2.475 1.00 63.45 H new ATOM 0 HB3 CYS A 15 14.466 2.649 2.700 1.00 63.45 H new ATOM 0 HG CYS A 15 14.395 -0.667 2.022 1.00 22.02 H new ATOM 224 N VAL A 16 16.934 3.907 0.619 1.00 64.41 N ATOM 225 CA VAL A 16 17.601 5.203 0.659 1.00 72.23 C ATOM 226 C VAL A 16 17.678 5.824 -0.731 1.00 53.14 C ATOM 227 O VAL A 16 17.668 7.046 -0.878 1.00 3.45 O ATOM 228 CB VAL A 16 19.024 5.085 1.236 1.00 71.22 C ATOM 229 CG1 VAL A 16 19.726 6.434 1.205 1.00 23.31 C ATOM 230 CG2 VAL A 16 18.980 4.529 2.651 1.00 1.32 C ATOM 0 H VAL A 16 17.565 3.111 0.521 1.00 64.41 H new ATOM 0 HA VAL A 16 17.006 5.845 1.309 1.00 72.23 H new ATOM 0 HB VAL A 16 19.593 4.392 0.616 1.00 71.22 H new ATOM 0 HG11 VAL A 16 20.730 6.331 1.617 1.00 23.31 H new ATOM 0 HG12 VAL A 16 19.790 6.787 0.176 1.00 23.31 H new ATOM 0 HG13 VAL A 16 19.162 7.152 1.800 1.00 23.31 H new ATOM 0 HG21 VAL A 16 19.994 4.452 3.043 1.00 1.32 H new ATOM 0 HG22 VAL A 16 18.395 5.195 3.285 1.00 1.32 H new ATOM 0 HG23 VAL A 16 18.520 3.541 2.640 1.00 1.32 H new ATOM 240 N ARG A 17 17.753 4.974 -1.750 1.00 63.11 N ATOM 241 CA ARG A 17 17.833 5.439 -3.129 1.00 54.44 C ATOM 242 C ARG A 17 16.440 5.696 -3.698 1.00 32.15 C ATOM 243 O ARG A 17 16.294 6.287 -4.768 1.00 10.24 O ATOM 244 CB ARG A 17 18.567 4.414 -3.995 1.00 20.32 C ATOM 245 CG ARG A 17 17.648 3.385 -4.633 1.00 14.22 C ATOM 246 CD ARG A 17 18.435 2.333 -5.397 1.00 72.45 C ATOM 247 NE ARG A 17 18.927 2.839 -6.676 1.00 24.23 N ATOM 248 CZ ARG A 17 19.620 2.104 -7.539 1.00 53.44 C ATOM 249 NH1 ARG A 17 19.899 0.838 -7.263 1.00 42.13 N ATOM 250 NH2 ARG A 17 20.034 2.637 -8.682 1.00 75.54 N ATOM 0 H ARG A 17 17.760 3.959 -1.646 1.00 63.11 H new ATOM 0 HA ARG A 17 18.390 6.376 -3.137 1.00 54.44 H new ATOM 0 HB2 ARG A 17 19.112 4.938 -4.780 1.00 20.32 H new ATOM 0 HB3 ARG A 17 19.307 3.898 -3.383 1.00 20.32 H new ATOM 0 HG2 ARG A 17 17.048 2.903 -3.861 1.00 14.22 H new ATOM 0 HG3 ARG A 17 16.955 3.885 -5.309 1.00 14.22 H new ATOM 0 HD2 ARG A 17 19.277 1.999 -4.791 1.00 72.45 H new ATOM 0 HD3 ARG A 17 17.803 1.462 -5.571 1.00 72.45 H new ATOM 0 HE ARG A 17 18.728 3.809 -6.920 1.00 24.23 H new ATOM 0 HH11 ARG A 17 19.581 0.425 -6.386 1.00 42.13 H new ATOM 0 HH12 ARG A 17 20.431 0.276 -7.928 1.00 42.13 H new ATOM 0 HH21 ARG A 17 19.820 3.611 -8.898 1.00 75.54 H new ATOM 0 HH22 ARG A 17 20.566 2.073 -9.345 1.00 75.54 H new ATOM 264 N TYR A 18 15.420 5.247 -2.975 1.00 11.05 N ATOM 265 CA TYR A 18 14.039 5.425 -3.408 1.00 1.24 C ATOM 266 C TYR A 18 13.328 6.464 -2.546 1.00 35.21 C ATOM 267 O TYR A 18 12.891 7.503 -3.040 1.00 52.44 O ATOM 268 CB TYR A 18 13.288 4.094 -3.346 1.00 54.34 C ATOM 269 CG TYR A 18 13.227 3.371 -4.673 1.00 43.41 C ATOM 270 CD1 TYR A 18 14.302 2.615 -5.124 1.00 5.13 C ATOM 271 CD2 TYR A 18 12.096 3.445 -5.476 1.00 42.43 C ATOM 272 CE1 TYR A 18 14.252 1.953 -6.335 1.00 43.55 C ATOM 273 CE2 TYR A 18 12.037 2.786 -6.689 1.00 33.13 C ATOM 274 CZ TYR A 18 13.117 2.042 -7.114 1.00 22.50 C ATOM 275 OH TYR A 18 13.062 1.384 -8.322 1.00 3.33 O ATOM 0 H TYR A 18 15.523 4.757 -2.086 1.00 11.05 H new ATOM 0 HA TYR A 18 14.050 5.780 -4.438 1.00 1.24 H new ATOM 0 HB2 TYR A 18 13.770 3.448 -2.612 1.00 54.34 H new ATOM 0 HB3 TYR A 18 12.273 4.275 -2.993 1.00 54.34 H new ATOM 0 HD1 TYR A 18 15.192 2.544 -4.517 1.00 5.13 H new ATOM 0 HD2 TYR A 18 11.248 4.028 -5.147 1.00 42.43 H new ATOM 0 HE1 TYR A 18 15.096 1.369 -6.670 1.00 43.55 H new ATOM 0 HE2 TYR A 18 11.150 2.853 -7.301 1.00 33.13 H new ATOM 0 HH TYR A 18 12.193 1.549 -8.745 1.00 3.33 H new ATOM 285 N TYR A 19 13.215 6.175 -1.254 1.00 65.44 N ATOM 286 CA TYR A 19 12.556 7.081 -0.322 1.00 52.55 C ATOM 287 C TYR A 19 13.569 8.003 0.350 1.00 53.43 C ATOM 288 O TYR A 19 13.283 9.170 0.615 1.00 41.45 O ATOM 289 CB TYR A 19 11.789 6.288 0.737 1.00 4.44 C ATOM 290 CG TYR A 19 11.088 5.066 0.189 1.00 14.44 C ATOM 291 CD1 TYR A 19 9.855 5.174 -0.443 1.00 42.34 C ATOM 292 CD2 TYR A 19 11.656 3.804 0.305 1.00 21.01 C ATOM 293 CE1 TYR A 19 9.210 4.061 -0.945 1.00 71.40 C ATOM 294 CE2 TYR A 19 11.019 2.685 -0.195 1.00 12.01 C ATOM 295 CZ TYR A 19 9.796 2.818 -0.819 1.00 11.32 C ATOM 296 OH TYR A 19 9.157 1.706 -1.317 1.00 21.11 O ATOM 0 H TYR A 19 13.572 5.319 -0.829 1.00 65.44 H new ATOM 0 HA TYR A 19 11.853 7.694 -0.886 1.00 52.55 H new ATOM 0 HB2 TYR A 19 12.482 5.979 1.520 1.00 4.44 H new ATOM 0 HB3 TYR A 19 11.051 6.941 1.204 1.00 4.44 H new ATOM 0 HD1 TYR A 19 9.393 6.145 -0.543 1.00 42.34 H new ATOM 0 HD2 TYR A 19 12.612 3.696 0.795 1.00 21.01 H new ATOM 0 HE1 TYR A 19 8.252 4.163 -1.434 1.00 71.40 H new ATOM 0 HE2 TYR A 19 11.476 1.711 -0.098 1.00 12.01 H new ATOM 0 HH TYR A 19 8.249 1.660 -0.952 1.00 21.11 H new ATOM 306 N GLY A 20 14.755 7.469 0.623 1.00 45.44 N ATOM 307 CA GLY A 20 15.794 8.257 1.261 1.00 61.31 C ATOM 308 C GLY A 20 15.800 8.095 2.768 1.00 3.31 C ATOM 309 O GLY A 20 16.280 8.969 3.491 1.00 52.13 O ATOM 0 H GLY A 20 15.015 6.505 0.414 1.00 45.44 H new ATOM 0 HA2 GLY A 20 16.765 7.963 0.863 1.00 61.31 H new ATOM 0 HA3 GLY A 20 15.653 9.309 1.012 1.00 61.31 H new ATOM 313 N ARG A 21 15.265 6.976 3.244 1.00 61.31 N ATOM 314 CA ARG A 21 15.208 6.704 4.675 1.00 3.22 C ATOM 315 C ARG A 21 14.879 5.238 4.938 1.00 63.53 C ATOM 316 O ARG A 21 14.319 4.552 4.082 1.00 53.33 O ATOM 317 CB ARG A 21 14.164 7.600 5.345 1.00 64.13 C ATOM 318 CG ARG A 21 12.757 7.405 4.804 1.00 64.40 C ATOM 319 CD ARG A 21 12.514 8.253 3.566 1.00 14.30 C ATOM 320 NE ARG A 21 11.119 8.673 3.456 1.00 2.54 N ATOM 321 CZ ARG A 21 10.562 9.584 4.247 1.00 73.02 C ATOM 322 NH1 ARG A 21 11.277 10.167 5.199 1.00 34.12 N ATOM 323 NH2 ARG A 21 9.287 9.913 4.085 1.00 54.41 N ATOM 0 H ARG A 21 14.864 6.242 2.659 1.00 61.31 H new ATOM 0 HA ARG A 21 16.189 6.920 5.099 1.00 3.22 H new ATOM 0 HB2 ARG A 21 14.163 7.403 6.417 1.00 64.13 H new ATOM 0 HB3 ARG A 21 14.454 8.642 5.213 1.00 64.13 H new ATOM 0 HG2 ARG A 21 12.601 6.354 4.562 1.00 64.40 H new ATOM 0 HG3 ARG A 21 12.031 7.666 5.574 1.00 64.40 H new ATOM 0 HD2 ARG A 21 13.156 9.133 3.598 1.00 14.30 H new ATOM 0 HD3 ARG A 21 12.793 7.686 2.678 1.00 14.30 H new ATOM 0 HE ARG A 21 10.541 8.244 2.733 1.00 2.54 H new ATOM 0 HH11 ARG A 21 12.258 9.917 5.326 1.00 34.12 H new ATOM 0 HH12 ARG A 21 10.847 10.866 5.804 1.00 34.12 H new ATOM 0 HH21 ARG A 21 8.734 9.467 3.353 1.00 54.41 H new ATOM 0 HH22 ARG A 21 8.860 10.612 4.692 1.00 54.41 H new ATOM 337 N THR A 22 15.232 4.761 6.128 1.00 62.14 N ATOM 338 CA THR A 22 14.976 3.376 6.503 1.00 44.03 C ATOM 339 C THR A 22 13.985 3.293 7.658 1.00 5.31 C ATOM 340 O THR A 22 13.246 2.318 7.784 1.00 53.21 O ATOM 341 CB THR A 22 16.276 2.653 6.903 1.00 3.35 C ATOM 342 OG1 THR A 22 17.126 3.543 7.637 1.00 55.13 O ATOM 343 CG2 THR A 22 17.011 2.140 5.674 1.00 4.43 C ATOM 0 H THR A 22 15.696 5.314 6.849 1.00 62.14 H new ATOM 0 HA THR A 22 14.551 2.885 5.628 1.00 44.03 H new ATOM 0 HB THR A 22 16.013 1.802 7.531 1.00 3.35 H new ATOM 0 HG1 THR A 22 17.949 3.075 7.889 1.00 55.13 H new ATOM 0 HG21 THR A 22 17.926 1.633 5.982 1.00 4.43 H new ATOM 0 HG22 THR A 22 16.373 1.440 5.134 1.00 4.43 H new ATOM 0 HG23 THR A 22 17.262 2.978 5.024 1.00 4.43 H new ATOM 351 N GLU A 23 13.976 4.323 8.499 1.00 44.12 N ATOM 352 CA GLU A 23 13.075 4.365 9.644 1.00 1.23 C ATOM 353 C GLU A 23 11.620 4.434 9.190 1.00 41.44 C ATOM 354 O GLU A 23 11.180 5.438 8.630 1.00 63.11 O ATOM 355 CB GLU A 23 13.401 5.567 10.534 1.00 73.03 C ATOM 356 CG GLU A 23 12.606 5.599 11.829 1.00 64.24 C ATOM 357 CD GLU A 23 12.849 6.862 12.631 1.00 2.31 C ATOM 358 OE1 GLU A 23 12.322 7.925 12.240 1.00 21.41 O ATOM 359 OE2 GLU A 23 13.567 6.788 13.651 1.00 54.03 O ATOM 0 H GLU A 23 14.582 5.138 8.409 1.00 44.12 H new ATOM 0 HA GLU A 23 13.215 3.449 10.217 1.00 1.23 H new ATOM 0 HB2 GLU A 23 14.465 5.555 10.771 1.00 73.03 H new ATOM 0 HB3 GLU A 23 13.209 6.484 9.977 1.00 73.03 H new ATOM 0 HG2 GLU A 23 11.543 5.517 11.601 1.00 64.24 H new ATOM 0 HG3 GLU A 23 12.870 4.732 12.435 1.00 64.24 H new ATOM 366 N GLY A 24 10.878 3.359 9.434 1.00 33.23 N ATOM 367 CA GLY A 24 9.481 3.317 9.043 1.00 32.12 C ATOM 368 C GLY A 24 9.281 2.704 7.671 1.00 32.35 C ATOM 369 O GLY A 24 8.181 2.266 7.333 1.00 30.14 O ATOM 0 H GLY A 24 11.219 2.516 9.896 1.00 33.23 H new ATOM 0 HA2 GLY A 24 8.918 2.744 9.779 1.00 32.12 H new ATOM 0 HA3 GLY A 24 9.075 4.328 9.048 1.00 32.12 H new ATOM 373 N VAL A 25 10.346 2.673 6.878 1.00 45.15 N ATOM 374 CA VAL A 25 10.283 2.110 5.534 1.00 21.33 C ATOM 375 C VAL A 25 10.697 0.642 5.534 1.00 52.43 C ATOM 376 O VAL A 25 10.018 -0.205 4.954 1.00 70.14 O ATOM 377 CB VAL A 25 11.185 2.886 4.557 1.00 41.43 C ATOM 378 CG1 VAL A 25 10.957 2.414 3.129 1.00 13.00 C ATOM 379 CG2 VAL A 25 10.937 4.382 4.678 1.00 5.41 C ATOM 0 H VAL A 25 11.264 3.031 7.142 1.00 45.15 H new ATOM 0 HA VAL A 25 9.247 2.193 5.204 1.00 21.33 H new ATOM 0 HB VAL A 25 12.225 2.690 4.817 1.00 41.43 H new ATOM 0 HG11 VAL A 25 11.603 2.974 2.453 1.00 13.00 H new ATOM 0 HG12 VAL A 25 11.189 1.351 3.056 1.00 13.00 H new ATOM 0 HG13 VAL A 25 9.915 2.578 2.854 1.00 13.00 H new ATOM 0 HG21 VAL A 25 11.583 4.915 3.980 1.00 5.41 H new ATOM 0 HG22 VAL A 25 9.894 4.598 4.445 1.00 5.41 H new ATOM 0 HG23 VAL A 25 11.156 4.706 5.695 1.00 5.41 H new ATOM 389 N VAL A 26 11.816 0.348 6.189 1.00 53.44 N ATOM 390 CA VAL A 26 12.320 -1.017 6.265 1.00 20.55 C ATOM 391 C VAL A 26 11.259 -1.965 6.813 1.00 73.21 C ATOM 392 O VAL A 26 11.191 -3.129 6.420 1.00 32.31 O ATOM 393 CB VAL A 26 13.576 -1.103 7.153 1.00 11.22 C ATOM 394 CG1 VAL A 26 14.712 -0.291 6.551 1.00 41.34 C ATOM 395 CG2 VAL A 26 13.263 -0.631 8.565 1.00 32.21 C ATOM 0 H VAL A 26 12.390 1.037 6.674 1.00 53.44 H new ATOM 0 HA VAL A 26 12.580 -1.315 5.249 1.00 20.55 H new ATOM 0 HB VAL A 26 13.893 -2.145 7.204 1.00 11.22 H new ATOM 0 HG11 VAL A 26 15.591 -0.364 7.192 1.00 41.34 H new ATOM 0 HG12 VAL A 26 14.952 -0.679 5.561 1.00 41.34 H new ATOM 0 HG13 VAL A 26 14.409 0.753 6.468 1.00 41.34 H new ATOM 0 HG21 VAL A 26 14.161 -0.698 9.179 1.00 32.21 H new ATOM 0 HG22 VAL A 26 12.921 0.403 8.535 1.00 32.21 H new ATOM 0 HG23 VAL A 26 12.482 -1.259 8.994 1.00 32.21 H new ATOM 405 N GLU A 27 10.432 -1.458 7.722 1.00 52.43 N ATOM 406 CA GLU A 27 9.373 -2.260 8.323 1.00 24.12 C ATOM 407 C GLU A 27 8.309 -2.618 7.291 1.00 74.45 C ATOM 408 O GLU A 27 7.616 -3.628 7.420 1.00 32.40 O ATOM 409 CB GLU A 27 8.733 -1.507 9.492 1.00 65.34 C ATOM 410 CG GLU A 27 9.651 -1.356 10.693 1.00 13.34 C ATOM 411 CD GLU A 27 10.094 -2.690 11.261 1.00 33.12 C ATOM 412 OE1 GLU A 27 9.286 -3.642 11.241 1.00 53.21 O ATOM 413 OE2 GLU A 27 11.249 -2.782 11.726 1.00 65.24 O ATOM 0 H GLU A 27 10.475 -0.496 8.058 1.00 52.43 H new ATOM 0 HA GLU A 27 9.818 -3.183 8.695 1.00 24.12 H new ATOM 0 HB2 GLU A 27 8.427 -0.518 9.152 1.00 65.34 H new ATOM 0 HB3 GLU A 27 7.829 -2.032 9.800 1.00 65.34 H new ATOM 0 HG2 GLU A 27 10.529 -0.779 10.404 1.00 13.34 H new ATOM 0 HG3 GLU A 27 9.138 -0.788 11.469 1.00 13.34 H new ATOM 420 N THR A 28 8.183 -1.783 6.264 1.00 10.21 N ATOM 421 CA THR A 28 7.202 -2.009 5.210 1.00 65.01 C ATOM 422 C THR A 28 7.650 -3.125 4.273 1.00 32.53 C ATOM 423 O THR A 28 6.935 -4.109 4.077 1.00 3.50 O ATOM 424 CB THR A 28 6.958 -0.731 4.386 1.00 0.53 C ATOM 425 OG1 THR A 28 7.007 0.419 5.239 1.00 22.42 O ATOM 426 CG2 THR A 28 5.610 -0.789 3.683 1.00 23.21 C ATOM 0 H THR A 28 8.749 -0.943 6.140 1.00 10.21 H new ATOM 0 HA THR A 28 6.273 -2.300 5.700 1.00 65.01 H new ATOM 0 HB THR A 28 7.741 -0.657 3.631 1.00 0.53 H new ATOM 0 HG1 THR A 28 6.853 1.228 4.707 1.00 22.42 H new ATOM 0 HG21 THR A 28 5.460 0.124 3.107 1.00 23.21 H new ATOM 0 HG22 THR A 28 5.586 -1.648 3.013 1.00 23.21 H new ATOM 0 HG23 THR A 28 4.817 -0.885 4.424 1.00 23.21 H new ATOM 434 N VAL A 29 8.837 -2.968 3.697 1.00 25.13 N ATOM 435 CA VAL A 29 9.381 -3.964 2.782 1.00 23.41 C ATOM 436 C VAL A 29 9.463 -5.334 3.447 1.00 64.15 C ATOM 437 O VAL A 29 9.029 -6.338 2.880 1.00 32.14 O ATOM 438 CB VAL A 29 10.782 -3.563 2.283 1.00 22.05 C ATOM 439 CG1 VAL A 29 11.266 -4.530 1.214 1.00 72.32 C ATOM 440 CG2 VAL A 29 10.771 -2.136 1.758 1.00 44.34 C ATOM 0 H VAL A 29 9.441 -2.160 3.848 1.00 25.13 H new ATOM 0 HA VAL A 29 8.702 -4.016 1.931 1.00 23.41 H new ATOM 0 HB VAL A 29 11.476 -3.612 3.122 1.00 22.05 H new ATOM 0 HG11 VAL A 29 12.257 -4.230 0.874 1.00 72.32 H new ATOM 0 HG12 VAL A 29 11.314 -5.537 1.629 1.00 72.32 H new ATOM 0 HG13 VAL A 29 10.574 -4.517 0.372 1.00 72.32 H new ATOM 0 HG21 VAL A 29 11.769 -1.869 1.409 1.00 44.34 H new ATOM 0 HG22 VAL A 29 10.065 -2.058 0.931 1.00 44.34 H new ATOM 0 HG23 VAL A 29 10.472 -1.457 2.556 1.00 44.34 H new ATOM 450 N LEU A 30 10.023 -5.369 4.651 1.00 51.42 N ATOM 451 CA LEU A 30 10.162 -6.616 5.394 1.00 10.14 C ATOM 452 C LEU A 30 8.826 -7.345 5.489 1.00 33.23 C ATOM 453 O LEU A 30 8.773 -8.574 5.439 1.00 12.41 O ATOM 454 CB LEU A 30 10.705 -6.339 6.797 1.00 3.52 C ATOM 455 CG LEU A 30 12.224 -6.419 6.957 1.00 71.21 C ATOM 456 CD1 LEU A 30 12.639 -5.964 8.347 1.00 23.43 C ATOM 457 CD2 LEU A 30 12.714 -7.835 6.688 1.00 10.41 C ATOM 0 H LEU A 30 10.388 -4.548 5.133 1.00 51.42 H new ATOM 0 HA LEU A 30 10.865 -7.253 4.858 1.00 10.14 H new ATOM 0 HB2 LEU A 30 10.380 -5.344 7.101 1.00 3.52 H new ATOM 0 HB3 LEU A 30 10.249 -7.048 7.488 1.00 3.52 H new ATOM 0 HG LEU A 30 12.683 -5.752 6.227 1.00 71.21 H new ATOM 0 HD11 LEU A 30 13.723 -6.028 8.442 1.00 23.43 H new ATOM 0 HD12 LEU A 30 12.321 -4.933 8.502 1.00 23.43 H new ATOM 0 HD13 LEU A 30 12.171 -6.605 9.094 1.00 23.43 H new ATOM 0 HD21 LEU A 30 13.797 -7.874 6.806 1.00 10.41 H new ATOM 0 HD22 LEU A 30 12.247 -8.522 7.394 1.00 10.41 H new ATOM 0 HD23 LEU A 30 12.449 -8.125 5.671 1.00 10.41 H new ATOM 469 N ALA A 31 7.748 -6.580 5.625 1.00 51.54 N ATOM 470 CA ALA A 31 6.411 -7.152 5.722 1.00 61.51 C ATOM 471 C ALA A 31 5.970 -7.747 4.389 1.00 41.34 C ATOM 472 O ALA A 31 5.227 -8.727 4.351 1.00 41.13 O ATOM 473 CB ALA A 31 5.418 -6.098 6.186 1.00 15.05 C ATOM 0 H ALA A 31 7.775 -5.561 5.671 1.00 51.54 H new ATOM 0 HA ALA A 31 6.440 -7.956 6.457 1.00 61.51 H new ATOM 0 HB1 ALA A 31 4.424 -6.540 6.254 1.00 15.05 H new ATOM 0 HB2 ALA A 31 5.716 -5.723 7.165 1.00 15.05 H new ATOM 0 HB3 ALA A 31 5.401 -5.275 5.472 1.00 15.05 H new ATOM 479 N ALA A 32 6.432 -7.146 3.297 1.00 62.33 N ATOM 480 CA ALA A 32 6.086 -7.617 1.961 1.00 22.45 C ATOM 481 C ALA A 32 6.889 -8.860 1.593 1.00 70.34 C ATOM 482 O ALA A 32 6.416 -9.717 0.847 1.00 24.11 O ATOM 483 CB ALA A 32 6.315 -6.516 0.937 1.00 1.33 C ATOM 0 H ALA A 32 7.047 -6.332 3.311 1.00 62.33 H new ATOM 0 HA ALA A 32 5.029 -7.885 1.959 1.00 22.45 H new ATOM 0 HB1 ALA A 32 6.053 -6.882 -0.056 1.00 1.33 H new ATOM 0 HB2 ALA A 32 5.693 -5.655 1.183 1.00 1.33 H new ATOM 0 HB3 ALA A 32 7.364 -6.220 0.949 1.00 1.33 H new ATOM 489 N ASN A 33 8.106 -8.951 2.119 1.00 11.04 N ATOM 490 CA ASN A 33 8.975 -10.089 1.844 1.00 60.31 C ATOM 491 C ASN A 33 9.474 -10.719 3.141 1.00 44.32 C ATOM 492 O ASN A 33 10.637 -10.579 3.520 1.00 3.14 O ATOM 493 CB ASN A 33 10.164 -9.654 0.985 1.00 54.35 C ATOM 494 CG ASN A 33 9.879 -9.774 -0.500 1.00 74.21 C ATOM 495 OD1 ASN A 33 10.338 -10.708 -1.158 1.00 0.01 O ATOM 496 ND2 ASN A 33 9.117 -8.827 -1.035 1.00 1.11 N ATOM 0 H ASN A 33 8.513 -8.250 2.738 1.00 11.04 H new ATOM 0 HA ASN A 33 8.395 -10.834 1.299 1.00 60.31 H new ATOM 0 HB2 ASN A 33 10.420 -8.621 1.221 1.00 54.35 H new ATOM 0 HB3 ASN A 33 11.032 -10.263 1.236 1.00 54.35 H new ATOM 0 HD21 ASN A 33 8.891 -8.856 -2.029 1.00 1.11 H new ATOM 0 HD22 ASN A 33 8.758 -8.071 -0.452 1.00 1.11 H new ATOM 503 N PRO A 34 8.576 -11.430 3.838 1.00 53.22 N ATOM 504 CA PRO A 34 8.902 -12.096 5.102 1.00 30.21 C ATOM 505 C PRO A 34 9.836 -13.285 4.906 1.00 25.14 C ATOM 506 O PRO A 34 9.881 -13.882 3.831 1.00 2.44 O ATOM 507 CB PRO A 34 7.539 -12.566 5.617 1.00 23.23 C ATOM 508 CG PRO A 34 6.699 -12.704 4.395 1.00 62.12 C ATOM 509 CD PRO A 34 7.172 -11.638 3.445 1.00 31.41 C ATOM 0 HA PRO A 34 9.427 -11.432 5.789 1.00 30.21 H new ATOM 0 HB2 PRO A 34 7.622 -13.514 6.149 1.00 23.23 H new ATOM 0 HB3 PRO A 34 7.109 -11.846 6.313 1.00 23.23 H new ATOM 0 HG2 PRO A 34 6.809 -13.695 3.955 1.00 62.12 H new ATOM 0 HG3 PRO A 34 5.643 -12.576 4.631 1.00 62.12 H new ATOM 0 HD2 PRO A 34 7.089 -11.959 2.407 1.00 31.41 H new ATOM 0 HD3 PRO A 34 6.587 -10.723 3.544 1.00 31.41 H new ATOM 517 N GLY A 35 10.582 -13.625 5.954 1.00 50.13 N ATOM 518 CA GLY A 35 11.505 -14.742 5.876 1.00 44.21 C ATOM 519 C GLY A 35 12.901 -14.313 5.470 1.00 43.33 C ATOM 520 O GLY A 35 13.878 -15.010 5.747 1.00 45.50 O ATOM 0 H GLY A 35 10.563 -13.147 6.855 1.00 50.13 H new ATOM 0 HA2 GLY A 35 11.549 -15.241 6.844 1.00 44.21 H new ATOM 0 HA3 GLY A 35 11.129 -15.471 5.158 1.00 44.21 H new ATOM 524 N LEU A 36 12.997 -13.164 4.810 1.00 53.13 N ATOM 525 CA LEU A 36 14.284 -12.643 4.363 1.00 51.05 C ATOM 526 C LEU A 36 15.214 -12.400 5.547 1.00 40.22 C ATOM 527 O LEU A 36 16.432 -12.533 5.430 1.00 72.12 O ATOM 528 CB LEU A 36 14.086 -11.344 3.579 1.00 4.14 C ATOM 529 CG LEU A 36 15.086 -11.081 2.453 1.00 5.40 C ATOM 530 CD1 LEU A 36 16.494 -10.938 3.011 1.00 11.33 C ATOM 531 CD2 LEU A 36 15.031 -12.196 1.419 1.00 25.14 C ATOM 0 H LEU A 36 12.199 -12.575 4.573 1.00 53.13 H new ATOM 0 HA LEU A 36 14.743 -13.387 3.712 1.00 51.05 H new ATOM 0 HB2 LEU A 36 13.083 -11.350 3.153 1.00 4.14 H new ATOM 0 HB3 LEU A 36 14.130 -10.510 4.279 1.00 4.14 H new ATOM 0 HG LEU A 36 14.815 -10.145 1.964 1.00 5.40 H new ATOM 0 HD11 LEU A 36 17.192 -10.751 2.195 1.00 11.33 H new ATOM 0 HD12 LEU A 36 16.524 -10.104 3.712 1.00 11.33 H new ATOM 0 HD13 LEU A 36 16.776 -11.856 3.526 1.00 11.33 H new ATOM 0 HD21 LEU A 36 15.749 -11.992 0.625 1.00 25.14 H new ATOM 0 HD22 LEU A 36 15.276 -13.146 1.895 1.00 25.14 H new ATOM 0 HD23 LEU A 36 14.028 -12.250 0.996 1.00 25.14 H new ATOM 543 N ALA A 37 14.631 -12.045 6.687 1.00 2.51 N ATOM 544 CA ALA A 37 15.407 -11.787 7.894 1.00 62.22 C ATOM 545 C ALA A 37 16.286 -12.983 8.247 1.00 54.40 C ATOM 546 O ALA A 37 17.315 -12.834 8.904 1.00 64.41 O ATOM 547 CB ALA A 37 14.483 -11.448 9.054 1.00 75.34 C ATOM 0 H ALA A 37 13.624 -11.929 6.800 1.00 2.51 H new ATOM 0 HA ALA A 37 16.058 -10.934 7.702 1.00 62.22 H new ATOM 0 HB1 ALA A 37 15.076 -11.258 9.948 1.00 75.34 H new ATOM 0 HB2 ALA A 37 13.902 -10.559 8.808 1.00 75.34 H new ATOM 0 HB3 ALA A 37 13.808 -12.284 9.238 1.00 75.34 H new ATOM 553 N GLU A 38 15.871 -14.166 7.807 1.00 31.50 N ATOM 554 CA GLU A 38 16.621 -15.387 8.079 1.00 34.20 C ATOM 555 C GLU A 38 17.736 -15.580 7.056 1.00 43.11 C ATOM 556 O GLU A 38 18.743 -16.233 7.334 1.00 60.04 O ATOM 557 CB GLU A 38 15.687 -16.599 8.066 1.00 72.30 C ATOM 558 CG GLU A 38 14.424 -16.403 8.887 1.00 34.33 C ATOM 559 CD GLU A 38 14.704 -16.300 10.374 1.00 64.51 C ATOM 560 OE1 GLU A 38 15.568 -17.054 10.869 1.00 45.14 O ATOM 561 OE2 GLU A 38 14.059 -15.466 11.042 1.00 4.44 O ATOM 0 H GLU A 38 15.021 -14.305 7.261 1.00 31.50 H new ATOM 0 HA GLU A 38 17.071 -15.294 9.068 1.00 34.20 H new ATOM 0 HB2 GLU A 38 15.410 -16.822 7.036 1.00 72.30 H new ATOM 0 HB3 GLU A 38 16.226 -17.467 8.446 1.00 72.30 H new ATOM 0 HG2 GLU A 38 13.915 -15.499 8.554 1.00 34.33 H new ATOM 0 HG3 GLU A 38 13.745 -17.236 8.706 1.00 34.33 H new ATOM 568 N LEU A 39 17.550 -15.008 5.872 1.00 51.44 N ATOM 569 CA LEU A 39 18.540 -15.116 4.805 1.00 14.13 C ATOM 570 C LEU A 39 19.920 -14.696 5.299 1.00 24.43 C ATOM 571 O LEU A 39 20.894 -15.434 5.152 1.00 41.31 O ATOM 572 CB LEU A 39 18.129 -14.252 3.611 1.00 35.54 C ATOM 573 CG LEU A 39 18.983 -14.398 2.352 1.00 61.12 C ATOM 574 CD1 LEU A 39 19.106 -15.861 1.957 1.00 61.55 C ATOM 575 CD2 LEU A 39 18.393 -13.583 1.210 1.00 23.11 C ATOM 0 H LEU A 39 16.723 -14.464 5.626 1.00 51.44 H new ATOM 0 HA LEU A 39 18.588 -16.159 4.492 1.00 14.13 H new ATOM 0 HB2 LEU A 39 17.096 -14.489 3.355 1.00 35.54 H new ATOM 0 HB3 LEU A 39 18.149 -13.207 3.920 1.00 35.54 H new ATOM 0 HG LEU A 39 19.981 -14.016 2.567 1.00 61.12 H new ATOM 0 HD11 LEU A 39 19.717 -15.945 1.059 1.00 61.55 H new ATOM 0 HD12 LEU A 39 19.574 -16.419 2.768 1.00 61.55 H new ATOM 0 HD13 LEU A 39 18.115 -16.269 1.761 1.00 61.55 H new ATOM 0 HD21 LEU A 39 19.014 -13.699 0.322 1.00 23.11 H new ATOM 0 HD22 LEU A 39 17.384 -13.935 0.996 1.00 23.11 H new ATOM 0 HD23 LEU A 39 18.358 -12.531 1.494 1.00 23.11 H new ATOM 587 N GLY A 40 19.997 -13.507 5.889 1.00 55.14 N ATOM 588 CA GLY A 40 21.262 -13.011 6.398 1.00 52.34 C ATOM 589 C GLY A 40 21.356 -11.499 6.343 1.00 13.22 C ATOM 590 O GLY A 40 20.389 -10.799 6.642 1.00 33.05 O ATOM 0 H GLY A 40 19.205 -12.878 6.024 1.00 55.14 H new ATOM 0 HA2 GLY A 40 21.391 -13.343 7.428 1.00 52.34 H new ATOM 0 HA3 GLY A 40 22.078 -13.444 5.819 1.00 52.34 H new ATOM 594 N ALA A 41 22.524 -10.993 5.962 1.00 62.52 N ATOM 595 CA ALA A 41 22.741 -9.555 5.869 1.00 13.02 C ATOM 596 C ALA A 41 22.363 -9.031 4.488 1.00 12.20 C ATOM 597 O ALA A 41 21.316 -8.406 4.315 1.00 43.11 O ATOM 598 CB ALA A 41 24.190 -9.218 6.185 1.00 24.04 C ATOM 0 H ALA A 41 23.335 -11.559 5.712 1.00 62.52 H new ATOM 0 HA ALA A 41 22.098 -9.068 6.602 1.00 13.02 H new ATOM 0 HB1 ALA A 41 24.337 -8.140 6.112 1.00 24.04 H new ATOM 0 HB2 ALA A 41 24.428 -9.549 7.196 1.00 24.04 H new ATOM 0 HB3 ALA A 41 24.844 -9.723 5.474 1.00 24.04 H new ATOM 604 N VAL A 42 23.222 -9.288 3.507 1.00 71.51 N ATOM 605 CA VAL A 42 22.978 -8.843 2.140 1.00 12.23 C ATOM 606 C VAL A 42 22.270 -9.922 1.328 1.00 4.04 C ATOM 607 O VAL A 42 22.555 -11.111 1.475 1.00 32.41 O ATOM 608 CB VAL A 42 24.291 -8.460 1.432 1.00 72.54 C ATOM 609 CG1 VAL A 42 25.140 -9.696 1.178 1.00 62.54 C ATOM 610 CG2 VAL A 42 24.000 -7.727 0.131 1.00 12.01 C ATOM 0 H VAL A 42 24.094 -9.802 3.633 1.00 71.51 H new ATOM 0 HA VAL A 42 22.338 -7.963 2.203 1.00 12.23 H new ATOM 0 HB VAL A 42 24.853 -7.790 2.083 1.00 72.54 H new ATOM 0 HG11 VAL A 42 26.064 -9.406 0.677 1.00 62.54 H new ATOM 0 HG12 VAL A 42 25.377 -10.176 2.127 1.00 62.54 H new ATOM 0 HG13 VAL A 42 24.588 -10.393 0.547 1.00 62.54 H new ATOM 0 HG21 VAL A 42 24.939 -7.464 -0.356 1.00 12.01 H new ATOM 0 HG22 VAL A 42 23.418 -8.372 -0.527 1.00 12.01 H new ATOM 0 HG23 VAL A 42 23.435 -6.820 0.343 1.00 12.01 H new ATOM 620 N LEU A 43 21.348 -9.500 0.471 1.00 13.10 N ATOM 621 CA LEU A 43 20.599 -10.430 -0.366 1.00 74.43 C ATOM 622 C LEU A 43 21.420 -10.853 -1.580 1.00 52.12 C ATOM 623 O LEU A 43 22.287 -10.121 -2.059 1.00 73.41 O ATOM 624 CB LEU A 43 19.285 -9.793 -0.822 1.00 33.11 C ATOM 625 CG LEU A 43 18.465 -9.095 0.264 1.00 22.21 C ATOM 626 CD1 LEU A 43 18.793 -7.611 0.309 1.00 11.20 C ATOM 627 CD2 LEU A 43 16.977 -9.308 0.029 1.00 51.24 C ATOM 0 H LEU A 43 21.101 -8.519 0.337 1.00 13.10 H new ATOM 0 HA LEU A 43 20.379 -11.317 0.228 1.00 74.43 H new ATOM 0 HB2 LEU A 43 19.508 -9.067 -1.604 1.00 33.11 H new ATOM 0 HB3 LEU A 43 18.666 -10.568 -1.274 1.00 33.11 H new ATOM 0 HG LEU A 43 18.726 -9.533 1.227 1.00 22.21 H new ATOM 0 HD11 LEU A 43 18.200 -7.131 1.087 1.00 11.20 H new ATOM 0 HD12 LEU A 43 19.853 -7.479 0.527 1.00 11.20 H new ATOM 0 HD13 LEU A 43 18.561 -7.158 -0.655 1.00 11.20 H new ATOM 0 HD21 LEU A 43 16.409 -8.804 0.811 1.00 51.24 H new ATOM 0 HD22 LEU A 43 16.700 -8.898 -0.942 1.00 51.24 H new ATOM 0 HD23 LEU A 43 16.755 -10.375 0.049 1.00 51.24 H new ATOM 639 N PRO A 44 21.141 -12.061 -2.092 1.00 51.35 N ATOM 640 CA PRO A 44 21.841 -12.607 -3.259 1.00 11.20 C ATOM 641 C PRO A 44 21.485 -11.870 -4.546 1.00 33.41 C ATOM 642 O PRO A 44 20.310 -11.725 -4.885 1.00 12.21 O ATOM 643 CB PRO A 44 21.352 -14.056 -3.319 1.00 63.15 C ATOM 644 CG PRO A 44 20.025 -14.037 -2.644 1.00 54.21 C ATOM 645 CD PRO A 44 20.120 -12.986 -1.573 1.00 23.24 C ATOM 0 HA PRO A 44 22.923 -12.511 -3.168 1.00 11.20 H new ATOM 0 HB2 PRO A 44 21.267 -14.403 -4.349 1.00 63.15 H new ATOM 0 HB3 PRO A 44 22.044 -14.729 -2.812 1.00 63.15 H new ATOM 0 HG2 PRO A 44 19.230 -13.802 -3.352 1.00 54.21 H new ATOM 0 HG3 PRO A 44 19.791 -15.011 -2.215 1.00 54.21 H new ATOM 0 HD2 PRO A 44 19.165 -12.484 -1.417 1.00 23.24 H new ATOM 0 HD3 PRO A 44 20.415 -13.414 -0.615 1.00 23.24 H new ATOM 653 N HIS A 45 22.506 -11.408 -5.260 1.00 2.12 N ATOM 654 CA HIS A 45 22.300 -10.687 -6.511 1.00 22.00 C ATOM 655 C HIS A 45 21.395 -11.478 -7.451 1.00 2.21 C ATOM 656 O HIS A 45 21.645 -12.650 -7.728 1.00 75.04 O ATOM 657 CB HIS A 45 23.641 -10.408 -7.190 1.00 64.22 C ATOM 658 CG HIS A 45 24.358 -11.647 -7.632 1.00 53.14 C ATOM 659 ND1 HIS A 45 25.249 -12.328 -6.830 1.00 52.02 N ATOM 660 CD2 HIS A 45 24.309 -12.328 -8.801 1.00 62.20 C ATOM 661 CE1 HIS A 45 25.719 -13.374 -7.487 1.00 12.52 C ATOM 662 NE2 HIS A 45 25.164 -13.397 -8.685 1.00 50.32 N ATOM 0 H HIS A 45 23.484 -11.520 -4.994 1.00 2.12 H new ATOM 0 HA HIS A 45 21.814 -9.739 -6.280 1.00 22.00 H new ATOM 0 HB2 HIS A 45 23.474 -9.766 -8.055 1.00 64.22 H new ATOM 0 HB3 HIS A 45 24.280 -9.855 -6.501 1.00 64.22 H new ATOM 0 HD2 HIS A 45 23.710 -12.078 -9.664 1.00 62.20 H new ATOM 0 HE1 HIS A 45 26.435 -14.088 -7.109 1.00 12.52 H new ATOM 0 HE2 HIS A 45 25.341 -14.095 -9.407 1.00 50.32 H new ATOM 670 N GLY A 46 20.342 -10.827 -7.937 1.00 63.53 N ATOM 671 CA GLY A 46 19.416 -11.486 -8.840 1.00 12.22 C ATOM 672 C GLY A 46 18.040 -11.663 -8.230 1.00 34.53 C ATOM 673 O GLY A 46 17.082 -12.005 -8.925 1.00 45.13 O ATOM 0 H GLY A 46 20.114 -9.856 -7.722 1.00 63.53 H new ATOM 0 HA2 GLY A 46 19.331 -10.904 -9.758 1.00 12.22 H new ATOM 0 HA3 GLY A 46 19.816 -12.461 -9.117 1.00 12.22 H new ATOM 677 N THR A 47 17.938 -11.433 -6.924 1.00 63.12 N ATOM 678 CA THR A 47 16.670 -11.572 -6.220 1.00 22.43 C ATOM 679 C THR A 47 15.888 -10.264 -6.232 1.00 32.22 C ATOM 680 O THR A 47 16.319 -9.267 -5.654 1.00 32.03 O ATOM 681 CB THR A 47 16.884 -12.016 -4.760 1.00 42.11 C ATOM 682 OG1 THR A 47 17.490 -13.313 -4.726 1.00 44.30 O ATOM 683 CG2 THR A 47 15.564 -12.048 -4.005 1.00 51.31 C ATOM 0 H THR A 47 18.719 -11.149 -6.333 1.00 63.12 H new ATOM 0 HA THR A 47 16.099 -12.338 -6.745 1.00 22.43 H new ATOM 0 HB THR A 47 17.543 -11.295 -4.277 1.00 42.11 H new ATOM 0 HG1 THR A 47 18.355 -13.282 -5.185 1.00 44.30 H new ATOM 0 HG21 THR A 47 15.740 -12.364 -2.977 1.00 51.31 H new ATOM 0 HG22 THR A 47 15.119 -11.053 -4.007 1.00 51.31 H new ATOM 0 HG23 THR A 47 14.885 -12.750 -4.489 1.00 51.31 H new ATOM 691 N ALA A 48 14.735 -10.275 -6.894 1.00 24.43 N ATOM 692 CA ALA A 48 13.892 -9.090 -6.978 1.00 54.14 C ATOM 693 C ALA A 48 13.231 -8.789 -5.637 1.00 64.01 C ATOM 694 O ALA A 48 13.014 -9.689 -4.825 1.00 54.53 O ATOM 695 CB ALA A 48 12.836 -9.269 -8.060 1.00 24.43 C ATOM 0 H ALA A 48 14.364 -11.092 -7.380 1.00 24.43 H new ATOM 0 HA ALA A 48 14.525 -8.242 -7.239 1.00 54.14 H new ATOM 0 HB1 ALA A 48 12.213 -8.376 -8.112 1.00 24.43 H new ATOM 0 HB2 ALA A 48 13.324 -9.427 -9.022 1.00 24.43 H new ATOM 0 HB3 ALA A 48 12.214 -10.132 -7.822 1.00 24.43 H new ATOM 701 N VAL A 49 12.916 -7.518 -5.410 1.00 55.11 N ATOM 702 CA VAL A 49 12.280 -7.098 -4.167 1.00 33.51 C ATOM 703 C VAL A 49 11.174 -6.082 -4.431 1.00 21.53 C ATOM 704 O VAL A 49 11.403 -5.052 -5.063 1.00 61.35 O ATOM 705 CB VAL A 49 13.303 -6.486 -3.192 1.00 51.10 C ATOM 706 CG1 VAL A 49 12.659 -6.220 -1.840 1.00 23.23 C ATOM 707 CG2 VAL A 49 14.512 -7.398 -3.047 1.00 14.05 C ATOM 0 H VAL A 49 13.091 -6.761 -6.071 1.00 55.11 H new ATOM 0 HA VAL A 49 11.848 -7.991 -3.715 1.00 33.51 H new ATOM 0 HB VAL A 49 13.643 -5.533 -3.599 1.00 51.10 H new ATOM 0 HG11 VAL A 49 13.397 -5.788 -1.164 1.00 23.23 H new ATOM 0 HG12 VAL A 49 11.828 -5.525 -1.963 1.00 23.23 H new ATOM 0 HG13 VAL A 49 12.289 -7.157 -1.422 1.00 23.23 H new ATOM 0 HG21 VAL A 49 15.225 -6.950 -2.355 1.00 14.05 H new ATOM 0 HG22 VAL A 49 14.193 -8.367 -2.663 1.00 14.05 H new ATOM 0 HG23 VAL A 49 14.986 -7.531 -4.019 1.00 14.05 H new ATOM 717 N GLU A 50 9.975 -6.380 -3.940 1.00 72.34 N ATOM 718 CA GLU A 50 8.833 -5.492 -4.124 1.00 2.00 C ATOM 719 C GLU A 50 9.002 -4.213 -3.309 1.00 22.24 C ATOM 720 O GLU A 50 9.431 -4.251 -2.154 1.00 73.34 O ATOM 721 CB GLU A 50 7.538 -6.200 -3.720 1.00 50.34 C ATOM 722 CG GLU A 50 6.292 -5.357 -3.935 1.00 32.22 C ATOM 723 CD GLU A 50 5.904 -4.565 -2.701 1.00 50.25 C ATOM 724 OE1 GLU A 50 6.148 -5.056 -1.579 1.00 54.55 O ATOM 725 OE2 GLU A 50 5.357 -3.453 -2.859 1.00 72.21 O ATOM 0 H GLU A 50 9.769 -7.228 -3.412 1.00 72.34 H new ATOM 0 HA GLU A 50 8.779 -5.225 -5.179 1.00 2.00 H new ATOM 0 HB2 GLU A 50 7.445 -7.123 -4.292 1.00 50.34 H new ATOM 0 HB3 GLU A 50 7.600 -6.481 -2.669 1.00 50.34 H new ATOM 0 HG2 GLU A 50 6.461 -4.670 -4.765 1.00 32.22 H new ATOM 0 HG3 GLU A 50 5.464 -6.005 -4.221 1.00 32.22 H new ATOM 732 N LEU A 51 8.663 -3.082 -3.917 1.00 3.13 N ATOM 733 CA LEU A 51 8.777 -1.790 -3.249 1.00 24.15 C ATOM 734 C LEU A 51 7.400 -1.212 -2.942 1.00 34.13 C ATOM 735 O LEU A 51 6.786 -0.534 -3.766 1.00 44.40 O ATOM 736 CB LEU A 51 9.571 -0.813 -4.117 1.00 42.33 C ATOM 737 CG LEU A 51 10.977 -1.261 -4.519 1.00 73.14 C ATOM 738 CD1 LEU A 51 11.625 -0.231 -5.431 1.00 60.24 C ATOM 739 CD2 LEU A 51 11.834 -1.498 -3.285 1.00 24.30 C ATOM 0 H LEU A 51 8.307 -3.033 -4.872 1.00 3.13 H new ATOM 0 HA LEU A 51 9.305 -1.941 -2.307 1.00 24.15 H new ATOM 0 HB2 LEU A 51 9.000 -0.618 -5.025 1.00 42.33 H new ATOM 0 HB3 LEU A 51 9.652 0.133 -3.582 1.00 42.33 H new ATOM 0 HG LEU A 51 10.896 -2.200 -5.066 1.00 73.14 H new ATOM 0 HD11 LEU A 51 12.625 -0.567 -5.707 1.00 60.24 H new ATOM 0 HD12 LEU A 51 11.022 -0.111 -6.331 1.00 60.24 H new ATOM 0 HD13 LEU A 51 11.694 0.724 -4.910 1.00 60.24 H new ATOM 0 HD21 LEU A 51 12.831 -1.816 -3.590 1.00 24.30 H new ATOM 0 HD22 LEU A 51 11.908 -0.575 -2.710 1.00 24.30 H new ATOM 0 HD23 LEU A 51 11.378 -2.273 -2.669 1.00 24.30 H new ATOM 751 N PRO A 52 6.901 -1.484 -1.727 1.00 13.03 N ATOM 752 CA PRO A 52 5.591 -0.998 -1.282 1.00 22.12 C ATOM 753 C PRO A 52 5.578 0.510 -1.057 1.00 42.13 C ATOM 754 O PRO A 52 6.629 1.134 -0.907 1.00 31.02 O ATOM 755 CB PRO A 52 5.369 -1.737 0.040 1.00 31.30 C ATOM 756 CG PRO A 52 6.739 -2.052 0.533 1.00 21.10 C ATOM 757 CD PRO A 52 7.577 -2.286 -0.693 1.00 71.35 C ATOM 0 HA PRO A 52 4.815 -1.181 -2.025 1.00 22.12 H new ATOM 0 HB2 PRO A 52 4.824 -1.118 0.753 1.00 31.30 H new ATOM 0 HB3 PRO A 52 4.783 -2.644 -0.107 1.00 31.30 H new ATOM 0 HG2 PRO A 52 7.138 -1.230 1.127 1.00 21.10 H new ATOM 0 HG3 PRO A 52 6.730 -2.934 1.174 1.00 21.10 H new ATOM 0 HD2 PRO A 52 8.607 -1.963 -0.543 1.00 71.35 H new ATOM 0 HD3 PRO A 52 7.610 -3.342 -0.961 1.00 71.35 H new ATOM 765 N ASP A 53 4.383 1.090 -1.036 1.00 22.14 N ATOM 766 CA ASP A 53 4.234 2.526 -0.828 1.00 34.43 C ATOM 767 C ASP A 53 4.973 3.311 -1.907 1.00 33.22 C ATOM 768 O ASP A 53 5.532 4.375 -1.642 1.00 24.23 O ATOM 769 CB ASP A 53 4.756 2.919 0.555 1.00 54.51 C ATOM 770 CG ASP A 53 3.741 2.662 1.652 1.00 62.23 C ATOM 771 OD1 ASP A 53 3.203 1.536 1.710 1.00 11.20 O ATOM 772 OD2 ASP A 53 3.486 3.585 2.452 1.00 3.34 O ATOM 0 H ASP A 53 3.504 0.588 -1.160 1.00 22.14 H new ATOM 0 HA ASP A 53 3.173 2.769 -0.890 1.00 34.43 H new ATOM 0 HB2 ASP A 53 5.667 2.360 0.769 1.00 54.51 H new ATOM 0 HB3 ASP A 53 5.024 3.976 0.552 1.00 54.51 H new ATOM 777 N VAL A 54 4.971 2.778 -3.125 1.00 4.32 N ATOM 778 CA VAL A 54 5.641 3.429 -4.244 1.00 65.23 C ATOM 779 C VAL A 54 4.645 3.818 -5.330 1.00 51.23 C ATOM 780 O VAL A 54 3.677 3.102 -5.583 1.00 35.04 O ATOM 781 CB VAL A 54 6.722 2.519 -4.857 1.00 63.43 C ATOM 782 CG1 VAL A 54 7.344 3.176 -6.080 1.00 4.45 C ATOM 783 CG2 VAL A 54 7.786 2.184 -3.822 1.00 72.25 C ATOM 0 H VAL A 54 4.513 1.898 -3.361 1.00 4.32 H new ATOM 0 HA VAL A 54 6.114 4.328 -3.850 1.00 65.23 H new ATOM 0 HB VAL A 54 6.251 1.589 -5.175 1.00 63.43 H new ATOM 0 HG11 VAL A 54 8.105 2.518 -6.499 1.00 4.45 H new ATOM 0 HG12 VAL A 54 6.572 3.359 -6.827 1.00 4.45 H new ATOM 0 HG13 VAL A 54 7.801 4.122 -5.792 1.00 4.45 H new ATOM 0 HG21 VAL A 54 8.542 1.540 -4.272 1.00 72.25 H new ATOM 0 HG22 VAL A 54 8.255 3.103 -3.471 1.00 72.25 H new ATOM 0 HG23 VAL A 54 7.325 1.668 -2.980 1.00 72.25 H new