USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 426 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -140:sc= -1.84 (180deg=-3.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 160:sc= -0.523 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 147:sc= 0 (180deg=-0.2) USER MOD Single : A 48 HIS : no HE2:sc= -7.11! C(o=-7.1!,f=-8.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 9:sc= 0.703 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.896 -14.861 -11.773 1.00 0.00 N ATOM 2 CA GLY A 1 21.797 -14.584 -12.879 1.00 0.00 C ATOM 3 C GLY A 1 22.717 -13.406 -12.555 1.00 0.00 C ATOM 4 O GLY A 1 23.903 -13.595 -12.288 1.00 0.00 O ATOM 0 H1 GLY A 1 20.282 -15.664 -12.018 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.450 -15.094 -10.924 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.310 -14.023 -11.584 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.396 -15.469 -13.095 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.219 -14.363 -13.777 1.00 0.00 H new ATOM 8 N SER A 2 22.136 -12.216 -12.588 1.00 0.00 N ATOM 9 CA SER A 2 22.889 -11.007 -12.301 1.00 0.00 C ATOM 10 C SER A 2 23.952 -10.785 -13.378 1.00 0.00 C ATOM 11 O SER A 2 24.884 -11.577 -13.509 1.00 0.00 O ATOM 12 CB SER A 2 23.540 -11.079 -10.919 1.00 0.00 C ATOM 13 OG SER A 2 23.571 -9.807 -10.276 1.00 0.00 O ATOM 0 H SER A 2 21.152 -12.063 -12.809 1.00 0.00 H new ATOM 0 HA SER A 2 22.197 -10.164 -12.303 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.992 -11.786 -10.297 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.556 -11.461 -11.016 1.00 0.00 H new ATOM 0 HG SER A 2 23.993 -9.896 -9.396 1.00 0.00 H new ATOM 19 N SER A 3 23.778 -9.702 -14.123 1.00 0.00 N ATOM 20 CA SER A 3 24.712 -9.366 -15.184 1.00 0.00 C ATOM 21 C SER A 3 25.264 -7.956 -14.967 1.00 0.00 C ATOM 22 O SER A 3 24.583 -6.969 -15.241 1.00 0.00 O ATOM 23 CB SER A 3 24.045 -9.469 -16.557 1.00 0.00 C ATOM 24 OG SER A 3 24.878 -10.128 -17.507 1.00 0.00 O ATOM 0 H SER A 3 23.004 -9.047 -14.012 1.00 0.00 H new ATOM 0 HA SER A 3 25.535 -10.080 -15.155 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.104 -10.010 -16.463 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.803 -8.470 -16.919 1.00 0.00 H new ATOM 0 HG SER A 3 24.416 -10.175 -18.370 1.00 0.00 H new ATOM 30 N GLY A 4 26.494 -7.906 -14.478 1.00 0.00 N ATOM 31 CA GLY A 4 27.147 -6.633 -14.221 1.00 0.00 C ATOM 32 C GLY A 4 27.607 -6.536 -12.765 1.00 0.00 C ATOM 33 O GLY A 4 27.980 -7.540 -12.160 1.00 0.00 O ATOM 0 H GLY A 4 27.056 -8.727 -14.253 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.004 -6.519 -14.885 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.460 -5.816 -14.444 1.00 0.00 H new ATOM 37 N SER A 5 27.565 -5.319 -12.244 1.00 0.00 N ATOM 38 CA SER A 5 27.973 -5.078 -10.871 1.00 0.00 C ATOM 39 C SER A 5 26.741 -4.970 -9.970 1.00 0.00 C ATOM 40 O SER A 5 25.694 -4.487 -10.399 1.00 0.00 O ATOM 41 CB SER A 5 28.822 -3.810 -10.763 1.00 0.00 C ATOM 42 OG SER A 5 30.029 -4.035 -10.039 1.00 0.00 O ATOM 0 H SER A 5 27.254 -4.489 -12.748 1.00 0.00 H new ATOM 0 HA SER A 5 28.583 -5.920 -10.543 1.00 0.00 H new ATOM 0 HB2 SER A 5 29.061 -3.448 -11.763 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.244 -3.028 -10.270 1.00 0.00 H new ATOM 0 HG SER A 5 30.543 -3.202 -9.994 1.00 0.00 H new ATOM 48 N SER A 6 26.906 -5.428 -8.738 1.00 0.00 N ATOM 49 CA SER A 6 25.820 -5.389 -7.773 1.00 0.00 C ATOM 50 C SER A 6 26.218 -4.529 -6.572 1.00 0.00 C ATOM 51 O SER A 6 27.299 -4.701 -6.011 1.00 0.00 O ATOM 52 CB SER A 6 25.440 -6.798 -7.314 1.00 0.00 C ATOM 53 OG SER A 6 24.698 -7.501 -8.307 1.00 0.00 O ATOM 0 H SER A 6 27.776 -5.828 -8.386 1.00 0.00 H new ATOM 0 HA SER A 6 24.949 -4.946 -8.256 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.344 -7.357 -7.074 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.851 -6.735 -6.399 1.00 0.00 H new ATOM 0 HG SER A 6 24.476 -8.397 -7.977 1.00 0.00 H new ATOM 59 N GLY A 7 25.323 -3.620 -6.213 1.00 0.00 N ATOM 60 CA GLY A 7 25.567 -2.733 -5.089 1.00 0.00 C ATOM 61 C GLY A 7 24.264 -2.097 -4.598 1.00 0.00 C ATOM 62 O GLY A 7 23.229 -2.213 -5.252 1.00 0.00 O ATOM 0 H GLY A 7 24.428 -3.479 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.033 -3.290 -4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.269 -1.952 -5.383 1.00 0.00 H new ATOM 66 N ALA A 8 24.359 -1.439 -3.452 1.00 0.00 N ATOM 67 CA ALA A 8 23.201 -0.786 -2.867 1.00 0.00 C ATOM 68 C ALA A 8 22.011 -1.747 -2.893 1.00 0.00 C ATOM 69 O ALA A 8 21.121 -1.616 -3.732 1.00 0.00 O ATOM 70 CB ALA A 8 22.915 0.516 -3.619 1.00 0.00 C ATOM 0 H ALA A 8 25.220 -1.344 -2.913 1.00 0.00 H new ATOM 0 HA ALA A 8 23.392 -0.526 -1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.046 1.006 -3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 8 23.779 1.176 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 8 22.716 0.294 -4.667 1.00 0.00 H new ATOM 76 N GLU A 9 22.033 -2.691 -1.964 1.00 0.00 N ATOM 77 CA GLU A 9 20.967 -3.674 -1.869 1.00 0.00 C ATOM 78 C GLU A 9 20.634 -3.957 -0.403 1.00 0.00 C ATOM 79 O GLU A 9 21.176 -4.888 0.192 1.00 0.00 O ATOM 80 CB GLU A 9 21.342 -4.962 -2.605 1.00 0.00 C ATOM 81 CG GLU A 9 21.119 -4.817 -4.112 1.00 0.00 C ATOM 82 CD GLU A 9 21.409 -6.133 -4.837 1.00 0.00 C ATOM 83 OE1 GLU A 9 22.551 -6.621 -4.693 1.00 0.00 O ATOM 84 OE2 GLU A 9 20.482 -6.620 -5.520 1.00 0.00 O ATOM 0 H GLU A 9 22.773 -2.796 -1.270 1.00 0.00 H new ATOM 0 HA GLU A 9 20.078 -3.265 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 9 22.386 -5.206 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.745 -5.790 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 9 20.091 -4.511 -4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.764 -4.031 -4.505 1.00 0.00 H new ATOM 91 N LEU A 10 19.746 -3.136 0.138 1.00 0.00 N ATOM 92 CA LEU A 10 19.334 -3.287 1.523 1.00 0.00 C ATOM 93 C LEU A 10 18.625 -4.632 1.697 1.00 0.00 C ATOM 94 O LEU A 10 19.115 -5.508 2.407 1.00 0.00 O ATOM 95 CB LEU A 10 18.495 -2.087 1.966 1.00 0.00 C ATOM 96 CG LEU A 10 19.245 -0.762 2.118 1.00 0.00 C ATOM 97 CD1 LEU A 10 19.427 -0.077 0.762 1.00 0.00 C ATOM 98 CD2 LEU A 10 18.551 0.148 3.133 1.00 0.00 C ATOM 0 H LEU A 10 19.300 -2.364 -0.358 1.00 0.00 H new ATOM 0 HA LEU A 10 20.204 -3.298 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.691 -1.945 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.028 -2.328 2.921 1.00 0.00 H new ATOM 0 HG LEU A 10 20.241 -0.975 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 10 19.963 0.862 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 10 19.998 -0.728 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.450 0.123 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.105 1.083 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 10 17.535 0.358 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.518 -0.348 4.103 1.00 0.00 H new ATOM 110 N THR A 11 17.483 -4.752 1.037 1.00 0.00 N ATOM 111 CA THR A 11 16.702 -5.975 1.109 1.00 0.00 C ATOM 112 C THR A 11 15.795 -6.101 -0.116 1.00 0.00 C ATOM 113 O THR A 11 15.773 -5.218 -0.971 1.00 0.00 O ATOM 114 CB THR A 11 15.936 -5.968 2.434 1.00 0.00 C ATOM 115 OG1 THR A 11 15.267 -4.710 2.443 1.00 0.00 O ATOM 116 CG2 THR A 11 16.865 -5.904 3.648 1.00 0.00 C ATOM 0 H THR A 11 17.079 -4.022 0.450 1.00 0.00 H new ATOM 0 HA THR A 11 17.343 -6.856 1.091 1.00 0.00 H new ATOM 0 HB THR A 11 15.316 -6.862 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.745 -4.623 3.268 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.270 -5.901 4.561 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.525 -6.771 3.647 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.462 -4.993 3.601 1.00 0.00 H new ATOM 124 N ALA A 12 15.068 -7.208 -0.162 1.00 0.00 N ATOM 125 CA ALA A 12 14.161 -7.462 -1.269 1.00 0.00 C ATOM 126 C ALA A 12 13.124 -6.340 -1.341 1.00 0.00 C ATOM 127 O ALA A 12 12.778 -5.878 -2.428 1.00 0.00 O ATOM 128 CB ALA A 12 13.518 -8.840 -1.097 1.00 0.00 C ATOM 0 H ALA A 12 15.089 -7.939 0.549 1.00 0.00 H new ATOM 0 HA ALA A 12 14.703 -7.471 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.838 -9.030 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.295 -9.605 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.963 -8.868 -0.159 1.00 0.00 H new ATOM 134 N LEU A 13 12.656 -5.934 -0.170 1.00 0.00 N ATOM 135 CA LEU A 13 11.666 -4.874 -0.086 1.00 0.00 C ATOM 136 C LEU A 13 12.289 -3.560 -0.561 1.00 0.00 C ATOM 137 O LEU A 13 11.905 -3.026 -1.601 1.00 0.00 O ATOM 138 CB LEU A 13 11.076 -4.801 1.324 1.00 0.00 C ATOM 139 CG LEU A 13 9.558 -4.631 1.408 1.00 0.00 C ATOM 140 CD1 LEU A 13 9.071 -3.562 0.428 1.00 0.00 C ATOM 141 CD2 LEU A 13 8.844 -5.968 1.201 1.00 0.00 C ATOM 0 H LEU A 13 12.944 -6.320 0.729 1.00 0.00 H new ATOM 0 HA LEU A 13 10.826 -5.086 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.350 -5.711 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.544 -3.969 1.850 1.00 0.00 H new ATOM 0 HG LEU A 13 9.308 -4.285 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.989 -3.461 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.543 -2.609 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.334 -3.854 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.766 -5.819 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.097 -6.367 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.160 -6.672 1.971 1.00 0.00 H new ATOM 153 N GLU A 14 13.241 -3.076 0.224 1.00 0.00 N ATOM 154 CA GLU A 14 13.922 -1.835 -0.103 1.00 0.00 C ATOM 155 C GLU A 14 14.233 -1.778 -1.600 1.00 0.00 C ATOM 156 O GLU A 14 13.850 -0.829 -2.282 1.00 0.00 O ATOM 157 CB GLU A 14 15.196 -1.673 0.728 1.00 0.00 C ATOM 158 CG GLU A 14 14.862 -1.358 2.188 1.00 0.00 C ATOM 159 CD GLU A 14 14.598 0.137 2.380 1.00 0.00 C ATOM 160 OE1 GLU A 14 15.508 0.923 2.036 1.00 0.00 O ATOM 161 OE2 GLU A 14 13.493 0.461 2.866 1.00 0.00 O ATOM 0 H GLU A 14 13.557 -3.521 1.086 1.00 0.00 H new ATOM 0 HA GLU A 14 13.260 -1.005 0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.787 -2.587 0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 14 15.808 -0.873 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.985 -1.928 2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.686 -1.671 2.829 1.00 0.00 H new ATOM 168 N SER A 15 14.924 -2.807 -2.067 1.00 0.00 N ATOM 169 CA SER A 15 15.291 -2.887 -3.471 1.00 0.00 C ATOM 170 C SER A 15 14.137 -2.387 -4.343 1.00 0.00 C ATOM 171 O SER A 15 14.286 -1.408 -5.074 1.00 0.00 O ATOM 172 CB SER A 15 15.669 -4.317 -3.861 1.00 0.00 C ATOM 173 OG SER A 15 17.079 -4.480 -3.993 1.00 0.00 O ATOM 0 H SER A 15 15.240 -3.593 -1.498 1.00 0.00 H new ATOM 0 HA SER A 15 16.162 -2.252 -3.633 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.293 -5.009 -3.108 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.184 -4.576 -4.802 1.00 0.00 H new ATOM 0 HG SER A 15 17.279 -5.407 -4.241 1.00 0.00 H new ATOM 179 N LEU A 16 13.013 -3.080 -4.236 1.00 0.00 N ATOM 180 CA LEU A 16 11.835 -2.718 -5.006 1.00 0.00 C ATOM 181 C LEU A 16 11.570 -1.220 -4.850 1.00 0.00 C ATOM 182 O LEU A 16 11.387 -0.512 -5.839 1.00 0.00 O ATOM 183 CB LEU A 16 10.647 -3.597 -4.611 1.00 0.00 C ATOM 184 CG LEU A 16 10.786 -5.090 -4.917 1.00 0.00 C ATOM 185 CD1 LEU A 16 9.470 -5.827 -4.662 1.00 0.00 C ATOM 186 CD2 LEU A 16 11.302 -5.313 -6.340 1.00 0.00 C ATOM 0 H LEU A 16 12.893 -3.890 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 16 12.001 -2.904 -6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.474 -3.480 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.759 -3.223 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 16 11.527 -5.510 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.596 -6.886 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.184 -5.710 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.690 -5.411 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.392 -6.382 -6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.604 -4.874 -7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.279 -4.842 -6.451 1.00 0.00 H new ATOM 198 N ILE A 17 11.558 -0.780 -3.600 1.00 0.00 N ATOM 199 CA ILE A 17 11.318 0.622 -3.302 1.00 0.00 C ATOM 200 C ILE A 17 12.333 1.480 -4.059 1.00 0.00 C ATOM 201 O ILE A 17 11.999 2.561 -4.543 1.00 0.00 O ATOM 202 CB ILE A 17 11.320 0.856 -1.790 1.00 0.00 C ATOM 203 CG1 ILE A 17 10.213 0.049 -1.108 1.00 0.00 C ATOM 204 CG2 ILE A 17 11.224 2.348 -1.466 1.00 0.00 C ATOM 205 CD1 ILE A 17 10.549 -0.209 0.362 1.00 0.00 C ATOM 0 H ILE A 17 11.711 -1.370 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 17 10.328 0.921 -3.646 1.00 0.00 H new ATOM 0 HB ILE A 17 12.270 0.500 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.268 0.588 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.078 -0.901 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.227 2.486 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.076 2.870 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.300 2.752 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.746 -0.784 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.482 -0.769 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.659 0.742 0.882 1.00 0.00 H new ATOM 217 N GLU A 18 13.552 0.968 -4.137 1.00 0.00 N ATOM 218 CA GLU A 18 14.618 1.674 -4.827 1.00 0.00 C ATOM 219 C GLU A 18 14.181 2.038 -6.248 1.00 0.00 C ATOM 220 O GLU A 18 14.456 3.139 -6.723 1.00 0.00 O ATOM 221 CB GLU A 18 15.904 0.846 -4.844 1.00 0.00 C ATOM 222 CG GLU A 18 17.093 1.668 -4.343 1.00 0.00 C ATOM 223 CD GLU A 18 18.049 2.004 -5.490 1.00 0.00 C ATOM 224 OE1 GLU A 18 17.584 2.672 -6.439 1.00 0.00 O ATOM 225 OE2 GLU A 18 19.222 1.586 -5.391 1.00 0.00 O ATOM 0 H GLU A 18 13.826 0.072 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 18 14.826 2.596 -4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.780 -0.038 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.101 0.495 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.735 2.588 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.626 1.111 -3.572 1.00 0.00 H new ATOM 232 N MET A 19 13.508 1.092 -6.886 1.00 0.00 N ATOM 233 CA MET A 19 13.030 1.299 -8.242 1.00 0.00 C ATOM 234 C MET A 19 12.061 2.481 -8.308 1.00 0.00 C ATOM 235 O MET A 19 11.874 3.077 -9.368 1.00 0.00 O ATOM 236 CB MET A 19 12.326 0.033 -8.735 1.00 0.00 C ATOM 237 CG MET A 19 13.325 -1.109 -8.931 1.00 0.00 C ATOM 238 SD MET A 19 12.536 -2.675 -8.595 1.00 0.00 S ATOM 239 CE MET A 19 13.934 -3.603 -7.987 1.00 0.00 C ATOM 0 H MET A 19 13.282 0.180 -6.489 1.00 0.00 H new ATOM 0 HA MET A 19 13.887 1.520 -8.879 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.563 -0.266 -8.017 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.815 0.239 -9.675 1.00 0.00 H new ATOM 0 HG2 MET A 19 13.708 -1.097 -9.951 1.00 0.00 H new ATOM 0 HG3 MET A 19 14.180 -0.973 -8.268 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.892 -4.621 -8.375 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.858 -3.127 -8.316 1.00 0.00 H new ATOM 0 HE3 MET A 19 13.908 -3.629 -6.898 1.00 0.00 H new ATOM 249 N GLY A 20 11.470 2.785 -7.162 1.00 0.00 N ATOM 250 CA GLY A 20 10.524 3.885 -7.076 1.00 0.00 C ATOM 251 C GLY A 20 9.114 3.373 -6.778 1.00 0.00 C ATOM 252 O GLY A 20 8.128 4.014 -7.139 1.00 0.00 O ATOM 0 H GLY A 20 11.628 2.289 -6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.836 4.578 -6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.522 4.442 -8.013 1.00 0.00 H new ATOM 256 N PHE A 21 9.062 2.224 -6.121 1.00 0.00 N ATOM 257 CA PHE A 21 7.788 1.619 -5.770 1.00 0.00 C ATOM 258 C PHE A 21 7.402 1.953 -4.327 1.00 0.00 C ATOM 259 O PHE A 21 8.270 2.143 -3.476 1.00 0.00 O ATOM 260 CB PHE A 21 7.961 0.105 -5.901 1.00 0.00 C ATOM 261 CG PHE A 21 7.732 -0.427 -7.318 1.00 0.00 C ATOM 262 CD1 PHE A 21 6.495 -0.356 -7.879 1.00 0.00 C ATOM 263 CD2 PHE A 21 8.766 -0.970 -8.016 1.00 0.00 C ATOM 264 CE1 PHE A 21 6.283 -0.849 -9.194 1.00 0.00 C ATOM 265 CE2 PHE A 21 8.553 -1.463 -9.330 1.00 0.00 C ATOM 266 CZ PHE A 21 7.317 -1.392 -9.892 1.00 0.00 C ATOM 0 H PHE A 21 9.882 1.696 -5.822 1.00 0.00 H new ATOM 0 HA PHE A 21 7.003 1.997 -6.425 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.967 -0.164 -5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.267 -0.390 -5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.674 0.075 -7.325 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.748 -1.026 -7.571 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.301 -0.793 -9.640 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.373 -1.895 -9.884 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.156 -1.766 -10.892 1.00 0.00 H new ATOM 276 N PRO A 22 6.064 2.016 -4.090 1.00 0.00 N ATOM 277 CA PRO A 22 5.552 2.323 -2.766 1.00 0.00 C ATOM 278 C PRO A 22 5.697 1.122 -1.830 1.00 0.00 C ATOM 279 O PRO A 22 5.416 -0.011 -2.220 1.00 0.00 O ATOM 280 CB PRO A 22 4.105 2.732 -2.989 1.00 0.00 C ATOM 281 CG PRO A 22 3.727 2.195 -4.359 1.00 0.00 C ATOM 282 CD PRO A 22 5.008 1.796 -5.074 1.00 0.00 C ATOM 0 HA PRO A 22 6.107 3.123 -2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.458 2.318 -2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.995 3.816 -2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.061 1.338 -4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.191 2.952 -4.931 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.975 0.755 -5.394 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.167 2.399 -5.968 1.00 0.00 H new ATOM 290 N ARG A 23 6.134 1.409 -0.613 1.00 0.00 N ATOM 291 CA ARG A 23 6.319 0.367 0.382 1.00 0.00 C ATOM 292 C ARG A 23 5.106 -0.565 0.407 1.00 0.00 C ATOM 293 O ARG A 23 5.230 -1.760 0.143 1.00 0.00 O ATOM 294 CB ARG A 23 6.523 0.965 1.776 1.00 0.00 C ATOM 295 CG ARG A 23 7.253 -0.019 2.693 1.00 0.00 C ATOM 296 CD ARG A 23 8.234 0.713 3.611 1.00 0.00 C ATOM 297 NE ARG A 23 9.616 0.257 3.341 1.00 0.00 N ATOM 298 CZ ARG A 23 10.164 -0.840 3.883 1.00 0.00 C ATOM 299 NH1 ARG A 23 9.451 -1.599 4.726 1.00 0.00 N ATOM 300 NH2 ARG A 23 11.425 -1.177 3.581 1.00 0.00 N ATOM 0 H ARG A 23 6.366 2.349 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 23 7.210 -0.198 0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.096 1.889 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.557 1.224 2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.528 -0.569 3.294 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.790 -0.752 2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.160 1.789 3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.978 0.526 4.654 1.00 0.00 H new ATOM 0 HE ARG A 23 10.187 0.812 2.703 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.491 -1.342 4.956 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.868 -2.434 5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.968 -0.599 2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.843 -2.011 3.993 1.00 0.00 H new ATOM 314 N GLY A 24 3.959 0.018 0.727 1.00 0.00 N ATOM 315 CA GLY A 24 2.724 -0.745 0.790 1.00 0.00 C ATOM 316 C GLY A 24 2.671 -1.794 -0.323 1.00 0.00 C ATOM 317 O GLY A 24 2.351 -2.955 -0.072 1.00 0.00 O ATOM 0 H GLY A 24 3.860 1.009 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.644 -1.235 1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.871 -0.072 0.701 1.00 0.00 H new ATOM 321 N ARG A 25 2.988 -1.348 -1.529 1.00 0.00 N ATOM 322 CA ARG A 25 2.980 -2.233 -2.681 1.00 0.00 C ATOM 323 C ARG A 25 4.063 -3.304 -2.535 1.00 0.00 C ATOM 324 O ARG A 25 3.756 -4.484 -2.369 1.00 0.00 O ATOM 325 CB ARG A 25 3.215 -1.454 -3.977 1.00 0.00 C ATOM 326 CG ARG A 25 1.901 -1.234 -4.730 1.00 0.00 C ATOM 327 CD ARG A 25 2.162 -0.746 -6.157 1.00 0.00 C ATOM 328 NE ARG A 25 1.312 0.428 -6.453 1.00 0.00 N ATOM 329 CZ ARG A 25 1.083 0.898 -7.687 1.00 0.00 C ATOM 330 NH1 ARG A 25 1.640 0.296 -8.747 1.00 0.00 N ATOM 331 NH2 ARG A 25 0.297 1.969 -7.861 1.00 0.00 N ATOM 0 H ARG A 25 3.252 -0.384 -1.734 1.00 0.00 H new ATOM 0 HA ARG A 25 1.999 -2.706 -2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.673 -0.492 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.915 -1.998 -4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.334 -2.164 -4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.291 -0.504 -4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.213 -0.483 -6.274 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.953 -1.545 -6.868 1.00 0.00 H new ATOM 0 HE ARG A 25 0.873 0.910 -5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.238 -0.520 -8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.466 0.653 -9.686 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.127 2.427 -7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.123 2.327 -8.800 1.00 0.00 H new ATOM 345 N ALA A 26 5.307 -2.855 -2.602 1.00 0.00 N ATOM 346 CA ALA A 26 6.437 -3.760 -2.479 1.00 0.00 C ATOM 347 C ALA A 26 6.149 -4.782 -1.377 1.00 0.00 C ATOM 348 O ALA A 26 6.214 -5.987 -1.612 1.00 0.00 O ATOM 349 CB ALA A 26 7.710 -2.954 -2.209 1.00 0.00 C ATOM 0 H ALA A 26 5.558 -1.876 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 26 6.591 -4.311 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.558 -3.633 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.886 -2.264 -3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.594 -2.390 -1.283 1.00 0.00 H new ATOM 355 N GLU A 27 5.837 -4.262 -0.199 1.00 0.00 N ATOM 356 CA GLU A 27 5.539 -5.114 0.939 1.00 0.00 C ATOM 357 C GLU A 27 4.393 -6.069 0.602 1.00 0.00 C ATOM 358 O GLU A 27 4.597 -7.279 0.506 1.00 0.00 O ATOM 359 CB GLU A 27 5.209 -4.278 2.178 1.00 0.00 C ATOM 360 CG GLU A 27 6.454 -3.559 2.701 1.00 0.00 C ATOM 361 CD GLU A 27 7.062 -4.308 3.888 1.00 0.00 C ATOM 362 OE1 GLU A 27 7.051 -5.557 3.837 1.00 0.00 O ATOM 363 OE2 GLU A 27 7.525 -3.616 4.821 1.00 0.00 O ATOM 0 H GLU A 27 5.784 -3.261 -0.008 1.00 0.00 H new ATOM 0 HA GLU A 27 6.425 -5.707 1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.438 -3.547 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.802 -4.922 2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.192 -3.475 1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.193 -2.544 3.002 1.00 0.00 H new ATOM 370 N LYS A 28 3.214 -5.491 0.430 1.00 0.00 N ATOM 371 CA LYS A 28 2.035 -6.276 0.105 1.00 0.00 C ATOM 372 C LYS A 28 2.393 -7.304 -0.970 1.00 0.00 C ATOM 373 O LYS A 28 2.257 -8.507 -0.753 1.00 0.00 O ATOM 374 CB LYS A 28 0.872 -5.361 -0.282 1.00 0.00 C ATOM 375 CG LYS A 28 -0.387 -6.175 -0.590 1.00 0.00 C ATOM 376 CD LYS A 28 -1.209 -5.515 -1.699 1.00 0.00 C ATOM 377 CE LYS A 28 -2.477 -6.319 -1.994 1.00 0.00 C ATOM 378 NZ LYS A 28 -3.671 -5.448 -1.921 1.00 0.00 N ATOM 0 H LYS A 28 3.049 -4.488 0.510 1.00 0.00 H new ATOM 0 HA LYS A 28 1.695 -6.833 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.668 -4.663 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.147 -4.766 -1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.107 -7.184 -0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.994 -6.268 0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.478 -4.501 -1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.607 -5.434 -2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.407 -6.769 -2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.571 -7.136 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.523 -6.009 -2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.745 -5.039 -0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.586 -4.683 -2.620 1.00 0.00 H new ATOM 392 N ALA A 29 2.845 -6.793 -2.106 1.00 0.00 N ATOM 393 CA ALA A 29 3.223 -7.651 -3.215 1.00 0.00 C ATOM 394 C ALA A 29 4.103 -8.790 -2.696 1.00 0.00 C ATOM 395 O ALA A 29 3.689 -9.948 -2.695 1.00 0.00 O ATOM 396 CB ALA A 29 3.923 -6.818 -4.290 1.00 0.00 C ATOM 0 H ALA A 29 2.958 -5.795 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 29 2.340 -8.098 -3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.207 -7.462 -5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.246 -6.041 -4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.816 -6.356 -3.868 1.00 0.00 H new ATOM 402 N LEU A 30 5.301 -8.421 -2.266 1.00 0.00 N ATOM 403 CA LEU A 30 6.243 -9.397 -1.745 1.00 0.00 C ATOM 404 C LEU A 30 5.524 -10.316 -0.755 1.00 0.00 C ATOM 405 O LEU A 30 5.812 -11.510 -0.689 1.00 0.00 O ATOM 406 CB LEU A 30 7.469 -8.697 -1.155 1.00 0.00 C ATOM 407 CG LEU A 30 8.603 -8.391 -2.136 1.00 0.00 C ATOM 408 CD1 LEU A 30 9.212 -7.016 -1.857 1.00 0.00 C ATOM 409 CD2 LEU A 30 9.658 -9.500 -2.117 1.00 0.00 C ATOM 0 H LEU A 30 5.641 -7.459 -2.268 1.00 0.00 H new ATOM 0 HA LEU A 30 6.621 -10.028 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.145 -7.760 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.867 -9.319 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 30 8.186 -8.360 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.015 -6.823 -2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.444 -6.250 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.612 -6.994 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.453 -9.258 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.077 -9.587 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.197 -10.446 -2.400 1.00 0.00 H new ATOM 421 N ALA A 31 4.602 -9.724 -0.010 1.00 0.00 N ATOM 422 CA ALA A 31 3.839 -10.474 0.973 1.00 0.00 C ATOM 423 C ALA A 31 2.994 -11.530 0.259 1.00 0.00 C ATOM 424 O ALA A 31 2.952 -12.685 0.679 1.00 0.00 O ATOM 425 CB ALA A 31 2.988 -9.510 1.803 1.00 0.00 C ATOM 0 H ALA A 31 4.366 -8.733 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 31 4.506 -10.995 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.416 -10.073 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.637 -8.799 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.304 -8.971 1.147 1.00 0.00 H new ATOM 431 N LEU A 32 2.341 -11.096 -0.809 1.00 0.00 N ATOM 432 CA LEU A 32 1.499 -11.990 -1.586 1.00 0.00 C ATOM 433 C LEU A 32 2.364 -13.093 -2.201 1.00 0.00 C ATOM 434 O LEU A 32 2.130 -14.276 -1.961 1.00 0.00 O ATOM 435 CB LEU A 32 0.685 -11.202 -2.614 1.00 0.00 C ATOM 436 CG LEU A 32 -0.385 -10.266 -2.048 1.00 0.00 C ATOM 437 CD1 LEU A 32 -0.253 -8.861 -2.639 1.00 0.00 C ATOM 438 CD2 LEU A 32 -1.786 -10.846 -2.256 1.00 0.00 C ATOM 0 H LEU A 32 2.378 -10.137 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 32 0.768 -12.479 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.374 -10.611 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.201 -11.911 -3.285 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.229 -10.179 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.025 -8.216 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.729 -8.455 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.369 -8.909 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.528 -10.161 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.969 -10.982 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.860 -11.808 -1.750 1.00 0.00 H new ATOM 450 N THR A 33 3.345 -12.665 -2.981 1.00 0.00 N ATOM 451 CA THR A 33 4.246 -13.601 -3.632 1.00 0.00 C ATOM 452 C THR A 33 4.838 -14.571 -2.607 1.00 0.00 C ATOM 453 O THR A 33 5.205 -15.694 -2.950 1.00 0.00 O ATOM 454 CB THR A 33 5.304 -12.793 -4.386 1.00 0.00 C ATOM 455 OG1 THR A 33 6.043 -12.142 -3.356 1.00 0.00 O ATOM 456 CG2 THR A 33 4.697 -11.643 -5.192 1.00 0.00 C ATOM 0 H THR A 33 3.536 -11.682 -3.177 1.00 0.00 H new ATOM 0 HA THR A 33 3.717 -14.223 -4.354 1.00 0.00 H new ATOM 0 HB THR A 33 5.857 -13.453 -5.054 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.917 -11.867 -3.704 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.490 -11.102 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.995 -12.042 -5.924 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.173 -10.964 -4.519 1.00 0.00 H new ATOM 464 N GLY A 34 4.913 -14.102 -1.370 1.00 0.00 N ATOM 465 CA GLY A 34 5.455 -14.913 -0.294 1.00 0.00 C ATOM 466 C GLY A 34 6.960 -14.687 -0.141 1.00 0.00 C ATOM 467 O GLY A 34 7.720 -15.639 0.029 1.00 0.00 O ATOM 0 H GLY A 34 4.607 -13.170 -1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.950 -14.668 0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.261 -15.967 -0.495 1.00 0.00 H new ATOM 471 N ASN A 35 7.346 -13.422 -0.207 1.00 0.00 N ATOM 472 CA ASN A 35 8.747 -13.059 -0.078 1.00 0.00 C ATOM 473 C ASN A 35 9.601 -14.049 -0.873 1.00 0.00 C ATOM 474 O ASN A 35 10.361 -14.823 -0.294 1.00 0.00 O ATOM 475 CB ASN A 35 9.198 -13.112 1.383 1.00 0.00 C ATOM 476 CG ASN A 35 8.293 -12.253 2.268 1.00 0.00 C ATOM 477 OD1 ASN A 35 7.544 -12.745 3.096 1.00 0.00 O ATOM 478 ND2 ASN A 35 8.403 -10.946 2.048 1.00 0.00 N ATOM 0 H ASN A 35 6.713 -12.635 -0.348 1.00 0.00 H new ATOM 0 HA ASN A 35 8.868 -12.044 -0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.183 -14.144 1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.228 -12.763 1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.840 -10.289 2.588 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.050 -10.601 1.339 1.00 0.00 H new ATOM 485 N GLN A 36 9.448 -13.990 -2.188 1.00 0.00 N ATOM 486 CA GLN A 36 10.196 -14.872 -3.068 1.00 0.00 C ATOM 487 C GLN A 36 11.463 -14.174 -3.567 1.00 0.00 C ATOM 488 O GLN A 36 12.546 -14.757 -3.547 1.00 0.00 O ATOM 489 CB GLN A 36 9.330 -15.340 -4.239 1.00 0.00 C ATOM 490 CG GLN A 36 8.387 -16.466 -3.809 1.00 0.00 C ATOM 491 CD GLN A 36 8.911 -17.827 -4.271 1.00 0.00 C ATOM 492 OE1 GLN A 36 9.747 -18.448 -3.635 1.00 0.00 O ATOM 493 NE2 GLN A 36 8.376 -18.254 -5.411 1.00 0.00 N ATOM 0 H GLN A 36 8.818 -13.346 -2.665 1.00 0.00 H new ATOM 0 HA GLN A 36 10.491 -15.755 -2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.749 -14.502 -4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.968 -15.686 -5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.281 -16.462 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.395 -16.294 -4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.681 -17.684 -5.893 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.661 -19.151 -5.804 1.00 0.00 H new ATOM 502 N GLY A 37 11.285 -12.936 -4.004 1.00 0.00 N ATOM 503 CA GLY A 37 12.400 -12.153 -4.507 1.00 0.00 C ATOM 504 C GLY A 37 11.908 -10.882 -5.203 1.00 0.00 C ATOM 505 O GLY A 37 10.746 -10.503 -5.062 1.00 0.00 O ATOM 0 H GLY A 37 10.385 -12.456 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.063 -11.888 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.984 -12.752 -5.206 1.00 0.00 H new ATOM 509 N ILE A 38 12.816 -10.259 -5.940 1.00 0.00 N ATOM 510 CA ILE A 38 12.489 -9.039 -6.658 1.00 0.00 C ATOM 511 C ILE A 38 11.517 -9.366 -7.793 1.00 0.00 C ATOM 512 O ILE A 38 10.382 -8.893 -7.799 1.00 0.00 O ATOM 513 CB ILE A 38 13.764 -8.333 -7.124 1.00 0.00 C ATOM 514 CG1 ILE A 38 14.570 -7.814 -5.932 1.00 0.00 C ATOM 515 CG2 ILE A 38 13.441 -7.223 -8.125 1.00 0.00 C ATOM 516 CD1 ILE A 38 13.919 -6.566 -5.331 1.00 0.00 C ATOM 0 H ILE A 38 13.778 -10.577 -6.055 1.00 0.00 H new ATOM 0 HA ILE A 38 11.984 -8.333 -5.999 1.00 0.00 H new ATOM 0 HB ILE A 38 14.388 -9.061 -7.642 1.00 0.00 H new ATOM 0 HG12 ILE A 38 14.644 -8.592 -5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 38 15.586 -7.581 -6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.364 -6.737 -8.440 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.941 -7.651 -8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.787 -6.488 -7.655 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.512 -6.218 -4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.869 -5.782 -6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 38 12.912 -6.808 -4.992 1.00 0.00 H new ATOM 528 N GLU A 39 11.999 -10.173 -8.728 1.00 0.00 N ATOM 529 CA GLU A 39 11.186 -10.569 -9.866 1.00 0.00 C ATOM 530 C GLU A 39 9.797 -11.008 -9.399 1.00 0.00 C ATOM 531 O GLU A 39 8.788 -10.463 -9.845 1.00 0.00 O ATOM 532 CB GLU A 39 11.871 -11.677 -10.668 1.00 0.00 C ATOM 533 CG GLU A 39 12.782 -11.089 -11.747 1.00 0.00 C ATOM 534 CD GLU A 39 12.774 -11.960 -13.006 1.00 0.00 C ATOM 535 OE1 GLU A 39 12.999 -13.180 -12.853 1.00 0.00 O ATOM 536 OE2 GLU A 39 12.543 -11.385 -14.092 1.00 0.00 O ATOM 0 H GLU A 39 12.941 -10.563 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 39 11.070 -9.707 -10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.455 -12.308 -9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.118 -12.315 -11.131 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.452 -10.080 -11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.799 -11.007 -11.364 1.00 0.00 H new ATOM 543 N ALA A 40 9.789 -11.988 -8.508 1.00 0.00 N ATOM 544 CA ALA A 40 8.540 -12.506 -7.976 1.00 0.00 C ATOM 545 C ALA A 40 7.578 -11.344 -7.721 1.00 0.00 C ATOM 546 O ALA A 40 6.458 -11.337 -8.230 1.00 0.00 O ATOM 547 CB ALA A 40 8.822 -13.318 -6.710 1.00 0.00 C ATOM 0 H ALA A 40 10.628 -12.437 -8.141 1.00 0.00 H new ATOM 0 HA ALA A 40 8.066 -13.175 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.885 -13.707 -6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.486 -14.148 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.296 -12.678 -5.966 1.00 0.00 H new ATOM 553 N ALA A 41 8.050 -10.389 -6.934 1.00 0.00 N ATOM 554 CA ALA A 41 7.246 -9.224 -6.605 1.00 0.00 C ATOM 555 C ALA A 41 6.921 -8.456 -7.888 1.00 0.00 C ATOM 556 O ALA A 41 5.762 -8.379 -8.292 1.00 0.00 O ATOM 557 CB ALA A 41 7.989 -8.362 -5.582 1.00 0.00 C ATOM 0 H ALA A 41 8.980 -10.398 -6.514 1.00 0.00 H new ATOM 0 HA ALA A 41 6.301 -9.525 -6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.386 -7.488 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.170 -8.944 -4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.941 -8.038 -6.002 1.00 0.00 H new ATOM 563 N MET A 42 7.964 -7.907 -8.492 1.00 0.00 N ATOM 564 CA MET A 42 7.804 -7.148 -9.720 1.00 0.00 C ATOM 565 C MET A 42 6.764 -7.798 -10.635 1.00 0.00 C ATOM 566 O MET A 42 6.011 -7.104 -11.317 1.00 0.00 O ATOM 567 CB MET A 42 9.147 -7.067 -10.449 1.00 0.00 C ATOM 568 CG MET A 42 9.564 -5.612 -10.670 1.00 0.00 C ATOM 569 SD MET A 42 10.200 -5.403 -12.325 1.00 0.00 S ATOM 570 CE MET A 42 10.954 -3.793 -12.166 1.00 0.00 C ATOM 0 H MET A 42 8.924 -7.973 -8.153 1.00 0.00 H new ATOM 0 HA MET A 42 7.459 -6.146 -9.464 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.911 -7.584 -9.869 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.075 -7.578 -11.409 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.710 -4.953 -10.514 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.323 -5.328 -9.941 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.403 -3.506 -13.117 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.195 -3.062 -11.888 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.725 -3.827 -11.396 1.00 0.00 H new ATOM 580 N ASP A 43 6.756 -9.123 -10.620 1.00 0.00 N ATOM 581 CA ASP A 43 5.820 -9.874 -11.440 1.00 0.00 C ATOM 582 C ASP A 43 4.390 -9.527 -11.022 1.00 0.00 C ATOM 583 O ASP A 43 3.564 -9.172 -11.862 1.00 0.00 O ATOM 584 CB ASP A 43 6.014 -11.381 -11.256 1.00 0.00 C ATOM 585 CG ASP A 43 5.527 -12.243 -12.422 1.00 0.00 C ATOM 586 OD1 ASP A 43 6.219 -12.232 -13.463 1.00 0.00 O ATOM 587 OD2 ASP A 43 4.474 -12.893 -12.246 1.00 0.00 O ATOM 0 H ASP A 43 7.382 -9.695 -10.054 1.00 0.00 H new ATOM 0 HA ASP A 43 5.999 -9.612 -12.483 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.074 -11.579 -11.096 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.491 -11.692 -10.351 1.00 0.00 H new ATOM 592 N TRP A 44 4.141 -9.642 -9.726 1.00 0.00 N ATOM 593 CA TRP A 44 2.825 -9.345 -9.188 1.00 0.00 C ATOM 594 C TRP A 44 2.577 -7.843 -9.346 1.00 0.00 C ATOM 595 O TRP A 44 1.595 -7.434 -9.963 1.00 0.00 O ATOM 596 CB TRP A 44 2.705 -9.821 -7.739 1.00 0.00 C ATOM 597 CG TRP A 44 1.311 -9.637 -7.136 1.00 0.00 C ATOM 598 CD1 TRP A 44 0.314 -10.530 -7.076 1.00 0.00 C ATOM 599 CD2 TRP A 44 0.796 -8.444 -6.508 1.00 0.00 C ATOM 600 NE1 TRP A 44 -0.801 -10.003 -6.457 1.00 0.00 N ATOM 601 CE2 TRP A 44 -0.499 -8.694 -6.101 1.00 0.00 C ATOM 602 CE3 TRP A 44 1.404 -7.195 -6.291 1.00 0.00 C ATOM 603 CZ2 TRP A 44 -1.295 -7.743 -5.451 1.00 0.00 C ATOM 604 CZ3 TRP A 44 0.595 -6.255 -5.641 1.00 0.00 C ATOM 605 CH2 TRP A 44 -0.710 -6.491 -5.225 1.00 0.00 C ATOM 0 H TRP A 44 4.829 -9.937 -9.033 1.00 0.00 H new ATOM 0 HA TRP A 44 2.053 -9.885 -9.737 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.974 -10.876 -7.691 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.428 -9.280 -7.129 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.375 -11.536 -7.464 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.684 -10.485 -6.291 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.415 -6.978 -6.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.306 -7.963 -5.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.014 -5.278 -5.450 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.270 -5.712 -4.730 1.00 0.00 H new ATOM 616 N LEU A 45 3.485 -7.063 -8.778 1.00 0.00 N ATOM 617 CA LEU A 45 3.378 -5.616 -8.848 1.00 0.00 C ATOM 618 C LEU A 45 2.993 -5.206 -10.271 1.00 0.00 C ATOM 619 O LEU A 45 2.121 -4.360 -10.463 1.00 0.00 O ATOM 620 CB LEU A 45 4.665 -4.958 -8.346 1.00 0.00 C ATOM 621 CG LEU A 45 4.900 -5.013 -6.835 1.00 0.00 C ATOM 622 CD1 LEU A 45 6.395 -5.056 -6.514 1.00 0.00 C ATOM 623 CD2 LEU A 45 4.196 -3.853 -6.128 1.00 0.00 C ATOM 0 H LEU A 45 4.298 -7.406 -8.267 1.00 0.00 H new ATOM 0 HA LEU A 45 2.587 -5.260 -8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.511 -5.433 -8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.660 -3.913 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 45 4.462 -5.936 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.534 -5.095 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.840 -5.941 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.878 -4.163 -6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.379 -3.916 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.583 -2.907 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.124 -3.909 -6.317 1.00 0.00 H new ATOM 635 N MET A 46 3.662 -5.825 -11.233 1.00 0.00 N ATOM 636 CA MET A 46 3.401 -5.535 -12.632 1.00 0.00 C ATOM 637 C MET A 46 2.019 -6.042 -13.049 1.00 0.00 C ATOM 638 O MET A 46 1.355 -5.430 -13.884 1.00 0.00 O ATOM 639 CB MET A 46 4.471 -6.200 -13.500 1.00 0.00 C ATOM 640 CG MET A 46 5.787 -5.422 -13.439 1.00 0.00 C ATOM 641 SD MET A 46 5.650 -3.915 -14.385 1.00 0.00 S ATOM 642 CE MET A 46 6.695 -2.842 -13.414 1.00 0.00 C ATOM 0 H MET A 46 4.385 -6.526 -11.071 1.00 0.00 H new ATOM 0 HA MET A 46 3.428 -4.454 -12.770 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.634 -7.224 -13.163 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.125 -6.256 -14.532 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.034 -5.190 -12.403 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.599 -6.034 -13.831 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.194 -2.129 -14.070 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.088 -2.303 -12.687 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.443 -3.438 -12.891 1.00 0.00 H new ATOM 652 N GLU A 47 1.626 -7.156 -12.447 1.00 0.00 N ATOM 653 CA GLU A 47 0.335 -7.752 -12.745 1.00 0.00 C ATOM 654 C GLU A 47 -0.793 -6.886 -12.179 1.00 0.00 C ATOM 655 O GLU A 47 -1.875 -6.814 -12.759 1.00 0.00 O ATOM 656 CB GLU A 47 0.253 -9.181 -12.204 1.00 0.00 C ATOM 657 CG GLU A 47 -0.364 -10.124 -13.239 1.00 0.00 C ATOM 658 CD GLU A 47 -1.850 -10.353 -12.954 1.00 0.00 C ATOM 659 OE1 GLU A 47 -2.658 -9.560 -13.483 1.00 0.00 O ATOM 660 OE2 GLU A 47 -2.144 -11.317 -12.213 1.00 0.00 O ATOM 0 H GLU A 47 2.179 -7.661 -11.755 1.00 0.00 H new ATOM 0 HA GLU A 47 0.221 -7.801 -13.828 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.250 -9.531 -11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.344 -9.195 -11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.242 -9.704 -14.237 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.164 -11.078 -13.228 1.00 0.00 H new ATOM 667 N HIS A 48 -0.501 -6.251 -11.054 1.00 0.00 N ATOM 668 CA HIS A 48 -1.476 -5.394 -10.403 1.00 0.00 C ATOM 669 C HIS A 48 -1.165 -3.930 -10.720 1.00 0.00 C ATOM 670 O HIS A 48 -1.706 -3.025 -10.086 1.00 0.00 O ATOM 671 CB HIS A 48 -1.532 -5.676 -8.901 1.00 0.00 C ATOM 672 CG HIS A 48 -2.142 -7.013 -8.549 1.00 0.00 C ATOM 673 ND1 HIS A 48 -3.410 -7.140 -8.010 1.00 0.00 N ATOM 674 CD2 HIS A 48 -1.645 -8.277 -8.667 1.00 0.00 C ATOM 675 CE1 HIS A 48 -3.654 -8.427 -7.815 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.559 -9.131 -8.222 1.00 0.00 N ATOM 0 H HIS A 48 0.398 -6.313 -10.576 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.471 -5.611 -10.791 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.521 -5.631 -8.495 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.106 -4.887 -8.415 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -4.048 -6.373 -7.799 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.672 -8.539 -9.057 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.561 -8.846 -7.405 1.00 0.00 H new ATOM 684 N GLU A 49 -0.293 -3.742 -11.700 1.00 0.00 N ATOM 685 CA GLU A 49 0.097 -2.403 -12.109 1.00 0.00 C ATOM 686 C GLU A 49 -1.130 -1.606 -12.555 1.00 0.00 C ATOM 687 O GLU A 49 -1.101 -0.376 -12.577 1.00 0.00 O ATOM 688 CB GLU A 49 1.151 -2.454 -13.217 1.00 0.00 C ATOM 689 CG GLU A 49 0.497 -2.631 -14.588 1.00 0.00 C ATOM 690 CD GLU A 49 0.378 -1.291 -15.317 1.00 0.00 C ATOM 691 OE1 GLU A 49 -0.480 -0.488 -14.892 1.00 0.00 O ATOM 692 OE2 GLU A 49 1.149 -1.100 -16.282 1.00 0.00 O ATOM 0 H GLU A 49 0.155 -4.495 -12.223 1.00 0.00 H new ATOM 0 HA GLU A 49 0.542 -1.897 -11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.739 -1.537 -13.207 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.841 -3.277 -13.030 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.086 -3.325 -15.189 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.492 -3.073 -14.468 1.00 0.00 H new ATOM 699 N ASP A 50 -2.179 -2.338 -12.900 1.00 0.00 N ATOM 700 CA ASP A 50 -3.414 -1.714 -13.345 1.00 0.00 C ATOM 701 C ASP A 50 -4.468 -1.839 -12.244 1.00 0.00 C ATOM 702 O ASP A 50 -5.666 -1.833 -12.523 1.00 0.00 O ATOM 703 CB ASP A 50 -3.957 -2.401 -14.600 1.00 0.00 C ATOM 704 CG ASP A 50 -4.087 -1.496 -15.827 1.00 0.00 C ATOM 705 OD1 ASP A 50 -3.712 -0.310 -15.700 1.00 0.00 O ATOM 706 OD2 ASP A 50 -4.559 -2.010 -16.863 1.00 0.00 O ATOM 0 H ASP A 50 -2.199 -3.358 -12.880 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.202 -0.669 -13.569 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.303 -3.236 -14.851 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.937 -2.821 -14.371 1.00 0.00 H new ATOM 711 N ASP A 51 -3.985 -1.949 -11.015 1.00 0.00 N ATOM 712 CA ASP A 51 -4.871 -2.076 -9.870 1.00 0.00 C ATOM 713 C ASP A 51 -5.763 -0.835 -9.782 1.00 0.00 C ATOM 714 O ASP A 51 -5.325 0.272 -10.092 1.00 0.00 O ATOM 715 CB ASP A 51 -4.076 -2.180 -8.567 1.00 0.00 C ATOM 716 CG ASP A 51 -4.058 -3.571 -7.931 1.00 0.00 C ATOM 717 OD1 ASP A 51 -4.786 -4.444 -8.452 1.00 0.00 O ATOM 718 OD2 ASP A 51 -3.316 -3.731 -6.938 1.00 0.00 O ATOM 0 H ASP A 51 -2.991 -1.953 -10.787 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.466 -2.980 -10.002 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.048 -1.872 -8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.491 -1.473 -7.848 1.00 0.00 H new ATOM 723 N PRO A 52 -7.030 -1.068 -9.347 1.00 0.00 N ATOM 724 CA PRO A 52 -7.987 0.017 -9.214 1.00 0.00 C ATOM 725 C PRO A 52 -7.683 0.868 -7.980 1.00 0.00 C ATOM 726 O PRO A 52 -7.726 2.096 -8.042 1.00 0.00 O ATOM 727 CB PRO A 52 -9.345 -0.663 -9.147 1.00 0.00 C ATOM 728 CG PRO A 52 -9.069 -2.111 -8.778 1.00 0.00 C ATOM 729 CD PRO A 52 -7.583 -2.366 -8.972 1.00 0.00 C ATOM 0 HA PRO A 52 -7.948 0.718 -10.048 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.984 -0.186 -8.404 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.863 -0.596 -10.104 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.358 -2.303 -7.745 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.657 -2.783 -9.403 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.123 -2.743 -8.058 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.407 -3.111 -9.748 1.00 0.00 H new ATOM 737 N ASP A 53 -7.381 0.182 -6.887 1.00 0.00 N ATOM 738 CA ASP A 53 -7.070 0.860 -5.640 1.00 0.00 C ATOM 739 C ASP A 53 -6.025 0.049 -4.871 1.00 0.00 C ATOM 740 O ASP A 53 -6.362 -0.678 -3.938 1.00 0.00 O ATOM 741 CB ASP A 53 -8.313 0.987 -4.757 1.00 0.00 C ATOM 742 CG ASP A 53 -9.228 -0.239 -4.748 1.00 0.00 C ATOM 743 OD1 ASP A 53 -8.705 -1.340 -5.025 1.00 0.00 O ATOM 744 OD2 ASP A 53 -10.431 -0.047 -4.464 1.00 0.00 O ATOM 0 H ASP A 53 -7.345 -0.836 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.696 1.855 -5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.995 1.191 -3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.890 1.850 -5.090 1.00 0.00 H new ATOM 749 N VAL A 54 -4.778 0.201 -5.291 1.00 0.00 N ATOM 750 CA VAL A 54 -3.682 -0.508 -4.654 1.00 0.00 C ATOM 751 C VAL A 54 -3.389 0.130 -3.294 1.00 0.00 C ATOM 752 O VAL A 54 -2.962 -0.551 -2.364 1.00 0.00 O ATOM 753 CB VAL A 54 -2.463 -0.529 -5.579 1.00 0.00 C ATOM 754 CG1 VAL A 54 -1.897 0.880 -5.771 1.00 0.00 C ATOM 755 CG2 VAL A 54 -1.390 -1.484 -5.052 1.00 0.00 C ATOM 0 H VAL A 54 -4.502 0.805 -6.065 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.954 -1.548 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.788 -0.896 -6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.032 0.837 -6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.660 1.521 -6.212 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.596 1.286 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.535 -1.480 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.071 -1.161 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.799 -2.493 -4.991 1.00 0.00 H new ATOM 765 N ASP A 55 -3.631 1.431 -3.223 1.00 0.00 N ATOM 766 CA ASP A 55 -3.399 2.169 -1.993 1.00 0.00 C ATOM 767 C ASP A 55 -4.243 3.444 -2.001 1.00 0.00 C ATOM 768 O ASP A 55 -3.706 4.549 -1.948 1.00 0.00 O ATOM 769 CB ASP A 55 -1.930 2.575 -1.863 1.00 0.00 C ATOM 770 CG ASP A 55 -1.022 1.524 -1.222 1.00 0.00 C ATOM 771 OD1 ASP A 55 -0.845 0.463 -1.859 1.00 0.00 O ATOM 772 OD2 ASP A 55 -0.526 1.805 -0.110 1.00 0.00 O ATOM 0 H ASP A 55 -3.985 1.993 -3.997 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.670 1.524 -1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.545 2.810 -2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.873 3.490 -1.274 1.00 0.00 H new ATOM 777 N GLU A 56 -5.552 3.249 -2.069 1.00 0.00 N ATOM 778 CA GLU A 56 -6.476 4.370 -2.085 1.00 0.00 C ATOM 779 C GLU A 56 -6.670 4.919 -0.670 1.00 0.00 C ATOM 780 O GLU A 56 -6.540 4.184 0.308 1.00 0.00 O ATOM 781 CB GLU A 56 -7.816 3.968 -2.706 1.00 0.00 C ATOM 782 CG GLU A 56 -7.863 4.332 -4.191 1.00 0.00 C ATOM 783 CD GLU A 56 -9.278 4.737 -4.611 1.00 0.00 C ATOM 784 OE1 GLU A 56 -9.805 5.684 -3.990 1.00 0.00 O ATOM 785 OE2 GLU A 56 -9.799 4.089 -5.544 1.00 0.00 O ATOM 0 H GLU A 56 -5.994 2.331 -2.114 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.048 5.159 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.969 2.896 -2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.629 4.467 -2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.172 5.151 -4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.531 3.483 -4.788 1.00 0.00 H new ATOM 792 N PRO A 57 -6.986 6.240 -0.604 1.00 0.00 N ATOM 793 CA PRO A 57 -7.199 6.895 0.675 1.00 0.00 C ATOM 794 C PRO A 57 -8.553 6.506 1.272 1.00 0.00 C ATOM 795 O PRO A 57 -9.503 6.235 0.539 1.00 0.00 O ATOM 796 CB PRO A 57 -7.085 8.382 0.379 1.00 0.00 C ATOM 797 CG PRO A 57 -7.276 8.524 -1.122 1.00 0.00 C ATOM 798 CD PRO A 57 -7.148 7.141 -1.741 1.00 0.00 C ATOM 0 HA PRO A 57 -6.470 6.595 1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.841 8.948 0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.113 8.768 0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.253 8.952 -1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.530 9.200 -1.540 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.032 6.886 -2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.293 7.086 -2.415 1.00 0.00 H new ATOM 806 N LEU A 58 -8.598 6.491 2.596 1.00 0.00 N ATOM 807 CA LEU A 58 -9.820 6.140 3.299 1.00 0.00 C ATOM 808 C LEU A 58 -10.063 7.147 4.425 1.00 0.00 C ATOM 809 O LEU A 58 -9.815 6.850 5.592 1.00 0.00 O ATOM 810 CB LEU A 58 -9.766 4.687 3.775 1.00 0.00 C ATOM 811 CG LEU A 58 -8.598 4.326 4.696 1.00 0.00 C ATOM 812 CD1 LEU A 58 -8.954 3.138 5.592 1.00 0.00 C ATOM 813 CD2 LEU A 58 -7.322 4.075 3.890 1.00 0.00 C ATOM 0 H LEU A 58 -7.808 6.716 3.200 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.676 6.200 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.697 4.461 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.726 4.040 2.899 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.403 5.176 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.107 2.902 6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.818 3.392 6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.191 2.273 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.507 3.820 4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.487 3.251 3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.062 4.974 3.332 1.00 0.00 H new ATOM 825 N SER A 59 -10.546 8.318 4.035 1.00 0.00 N ATOM 826 CA SER A 59 -10.825 9.370 4.997 1.00 0.00 C ATOM 827 C SER A 59 -11.387 10.599 4.279 1.00 0.00 C ATOM 828 O SER A 59 -11.249 10.730 3.064 1.00 0.00 O ATOM 829 CB SER A 59 -9.567 9.744 5.784 1.00 0.00 C ATOM 830 OG SER A 59 -9.881 10.343 7.039 1.00 0.00 O ATOM 0 H SER A 59 -10.751 8.561 3.066 1.00 0.00 H new ATOM 0 HA SER A 59 -11.567 8.999 5.705 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.964 8.851 5.949 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.962 10.433 5.195 1.00 0.00 H new ATOM 0 HG SER A 59 -9.052 10.566 7.512 1.00 0.00 H new ATOM 836 N GLY A 60 -12.008 11.469 5.062 1.00 0.00 N ATOM 837 CA GLY A 60 -12.591 12.683 4.517 1.00 0.00 C ATOM 838 C GLY A 60 -11.561 13.469 3.703 1.00 0.00 C ATOM 839 O GLY A 60 -10.647 14.069 4.265 1.00 0.00 O ATOM 0 H GLY A 60 -12.120 11.357 6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.442 12.430 3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.970 13.305 5.328 1.00 0.00 H new ATOM 843 N PRO A 61 -11.749 13.439 2.356 1.00 0.00 N ATOM 844 CA PRO A 61 -10.848 14.141 1.459 1.00 0.00 C ATOM 845 C PRO A 61 -11.101 15.650 1.496 1.00 0.00 C ATOM 846 O PRO A 61 -12.169 16.093 1.917 1.00 0.00 O ATOM 847 CB PRO A 61 -11.099 13.530 0.090 1.00 0.00 C ATOM 848 CG PRO A 61 -12.451 12.841 0.184 1.00 0.00 C ATOM 849 CD PRO A 61 -12.822 12.739 1.654 1.00 0.00 C ATOM 0 HA PRO A 61 -9.802 14.030 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.104 14.296 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.315 12.819 -0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.206 13.407 -0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.407 11.850 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.790 13.199 1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.892 11.699 1.974 1.00 0.00 H new ATOM 857 N SER A 62 -10.102 16.397 1.050 1.00 0.00 N ATOM 858 CA SER A 62 -10.204 17.846 1.027 1.00 0.00 C ATOM 859 C SER A 62 -9.223 18.423 0.004 1.00 0.00 C ATOM 860 O SER A 62 -9.627 19.126 -0.921 1.00 0.00 O ATOM 861 CB SER A 62 -9.937 18.439 2.411 1.00 0.00 C ATOM 862 OG SER A 62 -10.989 18.149 3.328 1.00 0.00 O ATOM 0 H SER A 62 -9.218 16.026 0.702 1.00 0.00 H new ATOM 0 HA SER A 62 -11.220 18.113 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.998 18.044 2.800 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.818 19.519 2.326 1.00 0.00 H new ATOM 0 HG SER A 62 -11.608 17.506 2.923 1.00 0.00 H new ATOM 868 N SER A 63 -7.953 18.104 0.205 1.00 0.00 N ATOM 869 CA SER A 63 -6.911 18.582 -0.688 1.00 0.00 C ATOM 870 C SER A 63 -5.829 17.513 -0.849 1.00 0.00 C ATOM 871 O SER A 63 -4.872 17.472 -0.077 1.00 0.00 O ATOM 872 CB SER A 63 -6.297 19.885 -0.171 1.00 0.00 C ATOM 873 OG SER A 63 -5.982 20.784 -1.230 1.00 0.00 O ATOM 0 H SER A 63 -7.622 17.520 0.973 1.00 0.00 H new ATOM 0 HA SER A 63 -7.360 18.784 -1.660 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.992 20.365 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.393 19.660 0.395 1.00 0.00 H new ATOM 0 HG SER A 63 -5.594 21.604 -0.859 1.00 0.00 H new ATOM 879 N GLY A 64 -6.016 16.674 -1.858 1.00 0.00 N ATOM 880 CA GLY A 64 -5.068 15.608 -2.130 1.00 0.00 C ATOM 881 C GLY A 64 -3.630 16.131 -2.100 1.00 0.00 C ATOM 882 O GLY A 64 -3.390 17.311 -2.353 1.00 0.00 O ATOM 0 H GLY A 64 -6.810 16.712 -2.497 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.186 14.815 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.279 15.169 -3.105 1.00 0.00 H new TER 886 GLY A 64