USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 514 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 18 MET CE :methyl -171:sc= 0 (180deg=0) USER MOD Set 1.2: A 20 MET CE :methyl 150:sc= -0.21 (180deg=-0.838) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 31:sc= -1.16 USER MOD Single : A 21 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.4!) USER MOD Single : A 23 ASN : amide:sc= -0.242 K(o=-0.24,f=-1.4) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 56:sc= -2.46 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.896 K(o=-0.9,f=-1.6) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 55:sc= 1.06 USER MOD Single : A 59 ASN : amide:sc= -1.88 K(o=-1.9,f=-5.5!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 67 SER OG : rot -4:sc= 0.768 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 54.523 16.010 13.815 1.00 0.00 N ATOM 2 CA GLY A 1 54.036 16.552 12.514 1.00 0.00 C ATOM 3 C GLY A 1 52.564 16.180 12.324 1.00 0.00 C ATOM 4 O GLY A 1 52.243 15.176 11.718 1.00 0.00 O ATOM 0 H1 GLY A 1 55.523 16.263 13.944 1.00 0.00 H new ATOM 0 H2 GLY A 1 53.961 16.414 14.591 1.00 0.00 H new ATOM 0 H3 GLY A 1 54.425 14.975 13.818 1.00 0.00 H new ATOM 0 HA2 GLY A 1 54.154 17.635 12.493 1.00 0.00 H new ATOM 0 HA3 GLY A 1 54.632 16.150 11.695 1.00 0.00 H new ATOM 10 N SER A 2 51.670 16.985 12.839 1.00 0.00 N ATOM 11 CA SER A 2 50.213 16.688 12.694 1.00 0.00 C ATOM 12 C SER A 2 49.657 17.368 11.441 1.00 0.00 C ATOM 13 O SER A 2 49.883 18.539 11.207 1.00 0.00 O ATOM 14 CB SER A 2 49.565 17.267 13.951 1.00 0.00 C ATOM 15 OG SER A 2 50.352 16.927 15.085 1.00 0.00 O ATOM 0 H SER A 2 51.887 17.838 13.355 1.00 0.00 H new ATOM 0 HA SER A 2 50.017 15.621 12.589 1.00 0.00 H new ATOM 0 HB2 SER A 2 49.480 18.350 13.864 1.00 0.00 H new ATOM 0 HB3 SER A 2 48.554 16.876 14.066 1.00 0.00 H new ATOM 0 HG SER A 2 49.940 17.299 15.893 1.00 0.00 H new ATOM 21 N MET A 3 48.928 16.637 10.629 1.00 0.00 N ATOM 22 CA MET A 3 48.344 17.224 9.378 1.00 0.00 C ATOM 23 C MET A 3 49.432 17.906 8.537 1.00 0.00 C ATOM 24 O MET A 3 49.742 19.066 8.732 1.00 0.00 O ATOM 25 CB MET A 3 47.311 18.250 9.852 1.00 0.00 C ATOM 26 CG MET A 3 45.974 17.550 10.104 1.00 0.00 C ATOM 27 SD MET A 3 45.035 18.471 11.348 1.00 0.00 S ATOM 28 CE MET A 3 45.590 17.533 12.792 1.00 0.00 C ATOM 0 H MET A 3 48.711 15.652 10.780 1.00 0.00 H new ATOM 0 HA MET A 3 47.895 16.457 8.747 1.00 0.00 H new ATOM 0 HB2 MET A 3 47.657 18.735 10.765 1.00 0.00 H new ATOM 0 HB3 MET A 3 47.189 19.032 9.102 1.00 0.00 H new ATOM 0 HG2 MET A 3 45.404 17.486 9.177 1.00 0.00 H new ATOM 0 HG3 MET A 3 46.145 16.529 10.444 1.00 0.00 H new ATOM 0 HE1 MET A 3 45.125 17.939 13.690 1.00 0.00 H new ATOM 0 HE2 MET A 3 45.306 16.487 12.677 1.00 0.00 H new ATOM 0 HE3 MET A 3 46.674 17.608 12.880 1.00 0.00 H new ATOM 38 N SER A 4 50.008 17.189 7.605 1.00 0.00 N ATOM 39 CA SER A 4 51.075 17.786 6.747 1.00 0.00 C ATOM 40 C SER A 4 50.556 17.988 5.321 1.00 0.00 C ATOM 41 O SER A 4 50.708 19.044 4.740 1.00 0.00 O ATOM 42 CB SER A 4 52.211 16.764 6.763 1.00 0.00 C ATOM 43 OG SER A 4 52.633 16.553 8.104 1.00 0.00 O ATOM 0 H SER A 4 49.785 16.215 7.402 1.00 0.00 H new ATOM 0 HA SER A 4 51.398 18.762 7.108 1.00 0.00 H new ATOM 0 HB2 SER A 4 51.877 15.825 6.322 1.00 0.00 H new ATOM 0 HB3 SER A 4 53.045 17.121 6.159 1.00 0.00 H new ATOM 0 HG SER A 4 53.361 15.897 8.119 1.00 0.00 H new ATOM 49 N THR A 5 49.941 16.977 4.752 1.00 0.00 N ATOM 50 CA THR A 5 49.400 17.089 3.357 1.00 0.00 C ATOM 51 C THR A 5 50.487 17.573 2.389 1.00 0.00 C ATOM 52 O THR A 5 50.249 18.420 1.548 1.00 0.00 O ATOM 53 CB THR A 5 48.262 18.111 3.441 1.00 0.00 C ATOM 54 OG1 THR A 5 47.513 17.887 4.627 1.00 0.00 O ATOM 55 CG2 THR A 5 47.349 17.963 2.224 1.00 0.00 C ATOM 0 H THR A 5 49.789 16.072 5.197 1.00 0.00 H new ATOM 0 HA THR A 5 49.054 16.126 2.982 1.00 0.00 H new ATOM 0 HB THR A 5 48.679 19.118 3.459 1.00 0.00 H new ATOM 0 HG1 THR A 5 46.786 18.541 4.683 1.00 0.00 H new ATOM 0 HG21 THR A 5 46.540 18.691 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 5 47.924 18.136 1.314 1.00 0.00 H new ATOM 0 HG23 THR A 5 46.931 16.957 2.203 1.00 0.00 H new ATOM 63 N SER A 6 51.677 17.039 2.505 1.00 0.00 N ATOM 64 CA SER A 6 52.785 17.460 1.598 1.00 0.00 C ATOM 65 C SER A 6 53.612 16.245 1.171 1.00 0.00 C ATOM 66 O SER A 6 53.943 16.082 0.012 1.00 0.00 O ATOM 67 CB SER A 6 53.635 18.420 2.427 1.00 0.00 C ATOM 68 OG SER A 6 54.684 18.937 1.621 1.00 0.00 O ATOM 0 H SER A 6 51.928 16.328 3.191 1.00 0.00 H new ATOM 0 HA SER A 6 52.414 17.928 0.686 1.00 0.00 H new ATOM 0 HB2 SER A 6 53.018 19.234 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 6 54.048 17.903 3.293 1.00 0.00 H new ATOM 0 HG SER A 6 55.230 19.555 2.151 1.00 0.00 H new ATOM 74 N GLU A 7 53.942 15.394 2.105 1.00 0.00 N ATOM 75 CA GLU A 7 54.747 14.181 1.772 1.00 0.00 C ATOM 76 C GLU A 7 53.831 13.052 1.295 1.00 0.00 C ATOM 77 O GLU A 7 53.325 12.276 2.085 1.00 0.00 O ATOM 78 CB GLU A 7 55.437 13.795 3.082 1.00 0.00 C ATOM 79 CG GLU A 7 56.679 14.666 3.282 1.00 0.00 C ATOM 80 CD GLU A 7 56.877 14.938 4.774 1.00 0.00 C ATOM 81 OE1 GLU A 7 55.923 15.350 5.413 1.00 0.00 O ATOM 82 OE2 GLU A 7 57.981 14.731 5.252 1.00 0.00 O ATOM 0 H GLU A 7 53.688 15.486 3.089 1.00 0.00 H new ATOM 0 HA GLU A 7 55.463 14.367 0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 7 54.751 13.925 3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 7 55.718 12.742 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 7 57.557 14.166 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 7 56.568 15.606 2.742 1.00 0.00 H new ATOM 89 N LEU A 8 53.614 12.957 0.008 1.00 0.00 N ATOM 90 CA LEU A 8 52.729 11.881 -0.532 1.00 0.00 C ATOM 91 C LEU A 8 53.266 11.378 -1.875 1.00 0.00 C ATOM 92 O LEU A 8 52.924 11.897 -2.921 1.00 0.00 O ATOM 93 CB LEU A 8 51.364 12.545 -0.714 1.00 0.00 C ATOM 94 CG LEU A 8 50.303 11.470 -0.956 1.00 0.00 C ATOM 95 CD1 LEU A 8 49.773 10.964 0.387 1.00 0.00 C ATOM 96 CD2 LEU A 8 49.149 12.068 -1.765 1.00 0.00 C ATOM 0 H LEU A 8 54.013 13.580 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 8 52.677 11.018 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 8 51.111 13.129 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 8 51.394 13.238 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 8 50.745 10.641 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 8 49.017 10.198 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 8 50.594 10.540 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 8 49.330 11.793 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 8 48.392 11.303 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 8 48.708 12.897 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 8 49.525 12.430 -2.722 1.00 0.00 H new ATOM 108 N LYS A 9 54.100 10.370 -1.850 1.00 0.00 N ATOM 109 CA LYS A 9 54.663 9.825 -3.121 1.00 0.00 C ATOM 110 C LYS A 9 54.460 8.308 -3.181 1.00 0.00 C ATOM 111 O LYS A 9 53.721 7.743 -2.397 1.00 0.00 O ATOM 112 CB LYS A 9 56.153 10.166 -3.074 1.00 0.00 C ATOM 113 CG LYS A 9 56.648 10.490 -4.486 1.00 0.00 C ATOM 114 CD LYS A 9 57.714 11.586 -4.416 1.00 0.00 C ATOM 115 CE LYS A 9 57.651 12.443 -5.682 1.00 0.00 C ATOM 116 NZ LYS A 9 58.586 11.788 -6.636 1.00 0.00 N ATOM 0 H LYS A 9 54.416 9.900 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 9 54.177 10.245 -4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 9 56.321 11.017 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 9 56.716 9.328 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 9 57.061 9.595 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 9 55.815 10.818 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 9 57.554 12.208 -3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 9 58.703 11.140 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 9 56.638 12.480 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 9 57.951 13.471 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 58.598 12.319 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 59.543 11.773 -6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 58.272 10.813 -6.816 1.00 0.00 H new ATOM 130 N LYS A 10 55.111 7.649 -4.107 1.00 0.00 N ATOM 131 CA LYS A 10 54.959 6.168 -4.224 1.00 0.00 C ATOM 132 C LYS A 10 56.247 5.466 -3.781 1.00 0.00 C ATOM 133 O LYS A 10 57.208 6.103 -3.393 1.00 0.00 O ATOM 134 CB LYS A 10 54.690 5.914 -5.708 1.00 0.00 C ATOM 135 CG LYS A 10 53.251 6.316 -6.044 1.00 0.00 C ATOM 136 CD LYS A 10 53.185 6.864 -7.478 1.00 0.00 C ATOM 137 CE LYS A 10 52.463 8.218 -7.489 1.00 0.00 C ATOM 138 NZ LYS A 10 53.305 9.099 -8.346 1.00 0.00 N ATOM 0 H LYS A 10 55.741 8.074 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 10 54.157 5.784 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.390 6.485 -6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.849 4.861 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.590 5.455 -5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.901 7.071 -5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 10 54.192 6.976 -7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 10 52.661 6.158 -8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 10 51.454 8.124 -7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 10 52.368 8.622 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 52.874 10.044 -8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 54.257 9.176 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.372 8.693 -9.301 1.00 0.00 H new ATOM 152 N VAL A 11 56.269 4.160 -3.843 1.00 0.00 N ATOM 153 CA VAL A 11 57.488 3.396 -3.431 1.00 0.00 C ATOM 154 C VAL A 11 57.534 2.062 -4.171 1.00 0.00 C ATOM 155 O VAL A 11 56.532 1.581 -4.655 1.00 0.00 O ATOM 156 CB VAL A 11 57.370 3.169 -1.919 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.566 4.504 -1.198 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.998 2.583 -1.571 1.00 0.00 C ATOM 0 H VAL A 11 55.490 3.585 -4.163 1.00 0.00 H new ATOM 0 HA VAL A 11 58.402 3.939 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 11 58.136 2.462 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.484 4.352 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.552 4.903 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.802 5.209 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.931 2.428 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.216 3.274 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.869 1.630 -2.083 1.00 0.00 H new ATOM 168 N VAL A 12 58.693 1.468 -4.264 1.00 0.00 N ATOM 169 CA VAL A 12 58.822 0.170 -4.983 1.00 0.00 C ATOM 170 C VAL A 12 58.748 -0.985 -3.960 1.00 0.00 C ATOM 171 O VAL A 12 58.699 -0.763 -2.767 1.00 0.00 O ATOM 172 CB VAL A 12 60.204 0.286 -5.686 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.027 -1.010 -5.620 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.994 0.649 -7.154 1.00 0.00 C ATOM 0 H VAL A 12 59.561 1.830 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 12 58.034 -0.037 -5.707 1.00 0.00 H new ATOM 0 HB VAL A 12 60.761 1.059 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 12 61.980 -0.862 -6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.209 -1.273 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.477 -1.815 -6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.961 0.731 -7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.402 -0.127 -7.639 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.469 1.602 -7.222 1.00 0.00 H new ATOM 184 N ALA A 13 58.760 -2.207 -4.428 1.00 0.00 N ATOM 185 CA ALA A 13 58.709 -3.376 -3.499 1.00 0.00 C ATOM 186 C ALA A 13 59.993 -4.199 -3.636 1.00 0.00 C ATOM 187 O ALA A 13 60.463 -4.451 -4.730 1.00 0.00 O ATOM 188 CB ALA A 13 57.498 -4.192 -3.947 1.00 0.00 C ATOM 0 H ALA A 13 58.803 -2.446 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 13 58.626 -3.075 -2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.395 -5.070 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.599 -3.581 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.635 -4.508 -4.981 1.00 0.00 H new ATOM 194 N LEU A 14 60.563 -4.616 -2.535 1.00 0.00 N ATOM 195 CA LEU A 14 61.821 -5.420 -2.594 1.00 0.00 C ATOM 196 C LEU A 14 61.496 -6.915 -2.623 1.00 0.00 C ATOM 197 O LEU A 14 61.631 -7.568 -3.641 1.00 0.00 O ATOM 198 CB LEU A 14 62.584 -5.057 -1.319 1.00 0.00 C ATOM 199 CG LEU A 14 63.435 -3.810 -1.572 1.00 0.00 C ATOM 200 CD1 LEU A 14 64.083 -3.357 -0.262 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.527 -4.136 -2.595 1.00 0.00 C ATOM 0 H LEU A 14 60.211 -4.434 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 14 62.404 -5.208 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 14 61.885 -4.874 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.219 -5.888 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 14 62.801 -3.012 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.689 -2.469 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.306 -3.124 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.716 -4.155 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 14 65.133 -3.248 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.160 -4.935 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 14 64.066 -4.457 -3.529 1.00 0.00 H new ATOM 213 N TYR A 15 61.075 -7.459 -1.513 1.00 0.00 N ATOM 214 CA TYR A 15 60.741 -8.915 -1.465 1.00 0.00 C ATOM 215 C TYR A 15 59.224 -9.112 -1.458 1.00 0.00 C ATOM 216 O TYR A 15 58.466 -8.166 -1.342 1.00 0.00 O ATOM 217 CB TYR A 15 61.347 -9.429 -0.157 1.00 0.00 C ATOM 218 CG TYR A 15 62.843 -9.216 -0.166 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.669 -10.079 -0.897 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.403 -8.156 0.556 1.00 0.00 C ATOM 221 CE1 TYR A 15 65.054 -9.881 -0.906 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.790 -7.959 0.548 1.00 0.00 C ATOM 223 CZ TYR A 15 65.614 -8.822 -0.183 1.00 0.00 C ATOM 224 OH TYR A 15 66.982 -8.627 -0.190 1.00 0.00 O ATOM 0 H TYR A 15 60.947 -6.958 -0.634 1.00 0.00 H new ATOM 0 HA TYR A 15 61.131 -9.449 -2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.902 -8.908 0.690 1.00 0.00 H new ATOM 0 HB3 TYR A 15 61.122 -10.488 -0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 15 63.237 -10.897 -1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.766 -7.490 1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.691 -10.546 -1.471 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.223 -7.142 1.106 1.00 0.00 H new ATOM 0 HH TYR A 15 67.204 -7.848 0.361 1.00 0.00 H new ATOM 234 N ASP A 16 58.782 -10.335 -1.583 1.00 0.00 N ATOM 235 CA ASP A 16 57.312 -10.611 -1.586 1.00 0.00 C ATOM 236 C ASP A 16 56.753 -10.548 -0.162 1.00 0.00 C ATOM 237 O ASP A 16 57.469 -10.725 0.806 1.00 0.00 O ATOM 238 CB ASP A 16 57.172 -12.024 -2.155 1.00 0.00 C ATOM 239 CG ASP A 16 57.072 -11.954 -3.680 1.00 0.00 C ATOM 240 OD1 ASP A 16 58.073 -11.648 -4.306 1.00 0.00 O ATOM 241 OD2 ASP A 16 55.996 -12.207 -4.196 1.00 0.00 O ATOM 0 H ASP A 16 59.376 -11.158 -1.684 1.00 0.00 H new ATOM 0 HA ASP A 16 56.760 -9.878 -2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 16 58.029 -12.631 -1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.285 -12.507 -1.744 1.00 0.00 H new ATOM 246 N TYR A 17 55.475 -10.296 -0.033 1.00 0.00 N ATOM 247 CA TYR A 17 54.846 -10.216 1.319 1.00 0.00 C ATOM 248 C TYR A 17 53.316 -10.235 1.164 1.00 0.00 C ATOM 249 O TYR A 17 52.666 -9.207 1.189 1.00 0.00 O ATOM 250 CB TYR A 17 55.367 -8.884 1.908 1.00 0.00 C ATOM 251 CG TYR A 17 54.500 -8.381 3.058 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.891 -9.281 3.947 1.00 0.00 C ATOM 253 CD2 TYR A 17 54.309 -7.005 3.224 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.095 -8.800 4.994 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.514 -6.526 4.271 1.00 0.00 C ATOM 256 CZ TYR A 17 52.906 -7.423 5.156 1.00 0.00 C ATOM 257 OH TYR A 17 52.122 -6.951 6.188 1.00 0.00 O ATOM 0 H TYR A 17 54.836 -10.141 -0.813 1.00 0.00 H new ATOM 0 HA TYR A 17 55.094 -11.050 1.975 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.390 -9.020 2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.398 -8.129 1.122 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.036 -10.344 3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 17 54.777 -6.310 2.542 1.00 0.00 H new ATOM 0 HE1 TYR A 17 52.626 -9.493 5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 17 53.370 -5.463 4.396 1.00 0.00 H new ATOM 0 HH TYR A 17 52.182 -7.563 6.951 1.00 0.00 H new ATOM 267 N MET A 18 52.749 -11.403 1.002 1.00 0.00 N ATOM 268 CA MET A 18 51.265 -11.510 0.841 1.00 0.00 C ATOM 269 C MET A 18 50.551 -11.111 2.144 1.00 0.00 C ATOM 270 O MET A 18 51.170 -11.067 3.188 1.00 0.00 O ATOM 271 CB MET A 18 50.994 -12.982 0.504 1.00 0.00 C ATOM 272 CG MET A 18 51.536 -13.885 1.617 1.00 0.00 C ATOM 273 SD MET A 18 50.721 -15.499 1.533 1.00 0.00 S ATOM 274 CE MET A 18 51.624 -16.279 2.894 1.00 0.00 C ATOM 0 H MET A 18 53.250 -12.291 0.974 1.00 0.00 H new ATOM 0 HA MET A 18 50.893 -10.844 0.062 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.923 -13.144 0.383 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.465 -13.239 -0.445 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.614 -14.004 1.511 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.360 -13.427 2.590 1.00 0.00 H new ATOM 0 HE1 MET A 18 51.393 -17.344 2.921 1.00 0.00 H new ATOM 0 HE2 MET A 18 52.695 -16.143 2.745 1.00 0.00 H new ATOM 0 HE3 MET A 18 51.328 -15.820 3.837 1.00 0.00 H new ATOM 284 N PRO A 19 49.262 -10.821 2.053 1.00 0.00 N ATOM 285 CA PRO A 19 48.493 -10.419 3.255 1.00 0.00 C ATOM 286 C PRO A 19 48.323 -11.606 4.209 1.00 0.00 C ATOM 287 O PRO A 19 48.610 -12.737 3.864 1.00 0.00 O ATOM 288 CB PRO A 19 47.143 -9.991 2.662 1.00 0.00 C ATOM 289 CG PRO A 19 47.197 -10.173 1.132 1.00 0.00 C ATOM 290 CD PRO A 19 48.507 -10.873 0.771 1.00 0.00 C ATOM 0 HA PRO A 19 48.974 -9.636 3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.337 -10.590 3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.933 -8.951 2.912 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.346 -10.763 0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.135 -9.206 0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.342 -11.898 0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.035 -10.358 -0.032 1.00 0.00 H new ATOM 298 N MET A 20 47.849 -11.351 5.401 1.00 0.00 N ATOM 299 CA MET A 20 47.644 -12.454 6.386 1.00 0.00 C ATOM 300 C MET A 20 46.151 -12.615 6.669 1.00 0.00 C ATOM 301 O MET A 20 45.609 -13.703 6.610 1.00 0.00 O ATOM 302 CB MET A 20 48.381 -12.003 7.650 1.00 0.00 C ATOM 303 CG MET A 20 49.870 -11.829 7.345 1.00 0.00 C ATOM 304 SD MET A 20 50.736 -13.391 7.637 1.00 0.00 S ATOM 305 CE MET A 20 50.910 -13.882 5.905 1.00 0.00 C ATOM 0 H MET A 20 47.594 -10.422 5.736 1.00 0.00 H new ATOM 0 HA MET A 20 48.014 -13.413 6.023 1.00 0.00 H new ATOM 0 HB2 MET A 20 47.962 -11.064 8.011 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.246 -12.738 8.443 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.005 -11.514 6.310 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.291 -11.045 7.974 1.00 0.00 H new ATOM 0 HE1 MET A 20 51.814 -14.479 5.785 1.00 0.00 H new ATOM 0 HE2 MET A 20 50.044 -14.471 5.605 1.00 0.00 H new ATOM 0 HE3 MET A 20 50.977 -12.992 5.279 1.00 0.00 H new ATOM 315 N ASN A 21 45.486 -11.530 6.969 1.00 0.00 N ATOM 316 CA ASN A 21 44.022 -11.592 7.252 1.00 0.00 C ATOM 317 C ASN A 21 43.278 -10.576 6.386 1.00 0.00 C ATOM 318 O ASN A 21 42.324 -10.903 5.706 1.00 0.00 O ATOM 319 CB ASN A 21 43.889 -11.236 8.734 1.00 0.00 C ATOM 320 CG ASN A 21 42.690 -11.974 9.332 1.00 0.00 C ATOM 321 OD1 ASN A 21 42.312 -13.027 8.857 1.00 0.00 O ATOM 322 ND2 ASN A 21 42.071 -11.464 10.361 1.00 0.00 N ATOM 0 H ASN A 21 45.897 -10.598 7.030 1.00 0.00 H new ATOM 0 HA ASN A 21 43.597 -12.571 7.031 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.800 -11.509 9.267 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.762 -10.160 8.850 1.00 0.00 H new ATOM 0 HD21 ASN A 21 41.270 -11.949 10.766 1.00 0.00 H new ATOM 0 HD22 ASN A 21 42.388 -10.580 10.760 1.00 0.00 H new ATOM 329 N ALA A 22 43.716 -9.344 6.407 1.00 0.00 N ATOM 330 CA ALA A 22 43.050 -8.283 5.587 1.00 0.00 C ATOM 331 C ALA A 22 43.863 -6.987 5.634 1.00 0.00 C ATOM 332 O ALA A 22 43.998 -6.291 4.645 1.00 0.00 O ATOM 333 CB ALA A 22 41.678 -8.074 6.231 1.00 0.00 C ATOM 0 H ALA A 22 44.511 -9.023 6.960 1.00 0.00 H new ATOM 0 HA ALA A 22 42.967 -8.571 4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.131 -7.308 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.118 -9.009 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.806 -7.757 7.266 1.00 0.00 H new ATOM 339 N ASN A 23 44.402 -6.662 6.779 1.00 0.00 N ATOM 340 CA ASN A 23 45.210 -5.408 6.910 1.00 0.00 C ATOM 341 C ASN A 23 46.403 -5.414 5.971 1.00 0.00 C ATOM 342 O ASN A 23 46.567 -4.536 5.148 1.00 0.00 O ATOM 343 CB ASN A 23 45.727 -5.402 8.342 1.00 0.00 C ATOM 344 CG ASN A 23 44.756 -4.637 9.242 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.254 -3.595 8.869 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.469 -5.114 10.423 1.00 0.00 N ATOM 0 H ASN A 23 44.319 -7.212 7.634 1.00 0.00 H new ATOM 0 HA ASN A 23 44.601 -4.537 6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.841 -6.425 8.701 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.713 -4.939 8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.823 -4.612 11.033 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.890 -5.989 10.736 1.00 0.00 H new ATOM 353 N ASP A 24 47.265 -6.380 6.135 1.00 0.00 N ATOM 354 CA ASP A 24 48.506 -6.452 5.309 1.00 0.00 C ATOM 355 C ASP A 24 48.221 -6.239 3.814 1.00 0.00 C ATOM 356 O ASP A 24 47.268 -6.763 3.272 1.00 0.00 O ATOM 357 CB ASP A 24 49.067 -7.854 5.551 1.00 0.00 C ATOM 358 CG ASP A 24 49.526 -7.977 7.005 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.022 -6.997 7.535 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.373 -9.051 7.564 1.00 0.00 O ATOM 0 H ASP A 24 47.161 -7.133 6.815 1.00 0.00 H new ATOM 0 HA ASP A 24 49.206 -5.666 5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.306 -8.604 5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.903 -8.044 4.878 1.00 0.00 H new ATOM 365 N LEU A 25 49.054 -5.474 3.153 1.00 0.00 N ATOM 366 CA LEU A 25 48.856 -5.218 1.696 1.00 0.00 C ATOM 367 C LEU A 25 49.669 -6.234 0.886 1.00 0.00 C ATOM 368 O LEU A 25 50.853 -6.400 1.098 1.00 0.00 O ATOM 369 CB LEU A 25 49.370 -3.793 1.467 1.00 0.00 C ATOM 370 CG LEU A 25 48.931 -3.306 0.080 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.508 -2.747 0.155 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.878 -2.205 -0.404 1.00 0.00 C ATOM 0 H LEU A 25 49.867 -5.014 3.564 1.00 0.00 H new ATOM 0 HA LEU A 25 47.816 -5.318 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.982 -3.127 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.457 -3.770 1.545 1.00 0.00 H new ATOM 0 HG LEU A 25 48.958 -4.144 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.200 -2.402 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.828 -3.528 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.481 -1.912 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.563 -1.862 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.853 -1.370 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.893 -2.598 -0.464 1.00 0.00 H new ATOM 384 N GLN A 26 49.034 -6.924 -0.026 1.00 0.00 N ATOM 385 CA GLN A 26 49.763 -7.949 -0.841 1.00 0.00 C ATOM 386 C GLN A 26 50.906 -7.308 -1.632 1.00 0.00 C ATOM 387 O GLN A 26 50.724 -6.856 -2.747 1.00 0.00 O ATOM 388 CB GLN A 26 48.715 -8.529 -1.794 1.00 0.00 C ATOM 389 CG GLN A 26 49.328 -9.689 -2.581 1.00 0.00 C ATOM 390 CD GLN A 26 48.693 -9.754 -3.972 1.00 0.00 C ATOM 391 OE1 GLN A 26 49.378 -9.654 -4.970 1.00 0.00 O ATOM 392 NE2 GLN A 26 47.403 -9.920 -4.080 1.00 0.00 N ATOM 0 H GLN A 26 48.043 -6.824 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 26 50.213 -8.716 -0.210 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.848 -8.875 -1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.363 -7.757 -2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 26 50.406 -9.554 -2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.166 -10.628 -2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.828 -10.004 -3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.970 -9.966 -5.002 1.00 0.00 H new ATOM 401 N LEU A 27 52.085 -7.280 -1.064 1.00 0.00 N ATOM 402 CA LEU A 27 53.251 -6.684 -1.774 1.00 0.00 C ATOM 403 C LEU A 27 53.870 -7.712 -2.726 1.00 0.00 C ATOM 404 O LEU A 27 53.299 -8.754 -2.989 1.00 0.00 O ATOM 405 CB LEU A 27 54.238 -6.311 -0.666 1.00 0.00 C ATOM 406 CG LEU A 27 53.963 -4.878 -0.199 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.154 -4.906 1.105 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.293 -4.150 0.031 1.00 0.00 C ATOM 0 H LEU A 27 52.288 -7.647 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 27 52.973 -5.821 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.140 -7.003 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.261 -6.396 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 27 53.391 -4.351 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.960 -3.885 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.207 -5.419 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.720 -5.434 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 27 55.097 -3.131 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.868 -4.676 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.860 -4.126 -0.900 1.00 0.00 H new ATOM 420 N ARG A 28 55.030 -7.416 -3.246 1.00 0.00 N ATOM 421 CA ARG A 28 55.710 -8.352 -4.190 1.00 0.00 C ATOM 422 C ARG A 28 57.134 -7.858 -4.453 1.00 0.00 C ATOM 423 O ARG A 28 57.658 -7.042 -3.718 1.00 0.00 O ATOM 424 CB ARG A 28 54.875 -8.305 -5.476 1.00 0.00 C ATOM 425 CG ARG A 28 54.111 -9.623 -5.647 1.00 0.00 C ATOM 426 CD ARG A 28 54.924 -10.574 -6.528 1.00 0.00 C ATOM 427 NE ARG A 28 54.087 -11.800 -6.641 1.00 0.00 N ATOM 428 CZ ARG A 28 53.623 -12.168 -7.805 1.00 0.00 C ATOM 429 NH1 ARG A 28 52.561 -11.591 -8.295 1.00 0.00 N ATOM 430 NH2 ARG A 28 54.223 -13.112 -8.477 1.00 0.00 N ATOM 0 H ARG A 28 55.543 -6.555 -3.055 1.00 0.00 H new ATOM 0 HA ARG A 28 55.781 -9.367 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.175 -7.471 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.523 -8.136 -6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 28 53.928 -10.079 -4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 28 53.137 -9.435 -6.099 1.00 0.00 H new ATOM 0 HD2 ARG A 28 55.118 -10.137 -7.507 1.00 0.00 H new ATOM 0 HD3 ARG A 28 55.893 -10.797 -6.080 1.00 0.00 H new ATOM 0 HE ARG A 28 53.876 -12.352 -5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 28 52.093 -10.853 -7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 28 52.198 -11.878 -9.204 1.00 0.00 H new ATOM 0 HH21 ARG A 28 55.054 -13.562 -8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 28 53.861 -13.400 -9.386 1.00 0.00 H new ATOM 444 N LYS A 29 57.759 -8.337 -5.497 1.00 0.00 N ATOM 445 CA LYS A 29 59.141 -7.890 -5.812 1.00 0.00 C ATOM 446 C LYS A 29 59.171 -7.199 -7.177 1.00 0.00 C ATOM 447 O LYS A 29 58.797 -7.772 -8.182 1.00 0.00 O ATOM 448 CB LYS A 29 59.985 -9.167 -5.810 1.00 0.00 C ATOM 449 CG LYS A 29 61.443 -8.825 -6.134 1.00 0.00 C ATOM 450 CD LYS A 29 62.374 -9.737 -5.334 1.00 0.00 C ATOM 451 CE LYS A 29 62.253 -11.172 -5.851 1.00 0.00 C ATOM 452 NZ LYS A 29 63.513 -11.842 -5.425 1.00 0.00 N ATOM 0 H LYS A 29 57.367 -9.021 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 29 59.522 -7.165 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.923 -9.653 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.596 -9.873 -6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.627 -8.947 -7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.644 -7.781 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 29 63.404 -9.392 -5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.117 -9.698 -4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.379 -11.671 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 29 62.142 -11.193 -6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 63.505 -12.832 -5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 64.327 -11.350 -5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.588 -11.813 -4.388 1.00 0.00 H new ATOM 466 N GLY A 30 59.605 -5.965 -7.208 1.00 0.00 N ATOM 467 CA GLY A 30 59.655 -5.214 -8.495 1.00 0.00 C ATOM 468 C GLY A 30 58.395 -4.353 -8.636 1.00 0.00 C ATOM 469 O GLY A 30 58.386 -3.374 -9.359 1.00 0.00 O ATOM 0 H GLY A 30 59.928 -5.444 -6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.544 -4.584 -8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.728 -5.909 -9.331 1.00 0.00 H new ATOM 473 N ASP A 31 57.333 -4.707 -7.950 1.00 0.00 N ATOM 474 CA ASP A 31 56.081 -3.905 -8.043 1.00 0.00 C ATOM 475 C ASP A 31 56.187 -2.679 -7.136 1.00 0.00 C ATOM 476 O ASP A 31 56.916 -2.688 -6.165 1.00 0.00 O ATOM 477 CB ASP A 31 54.967 -4.838 -7.562 1.00 0.00 C ATOM 478 CG ASP A 31 53.704 -4.596 -8.390 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.774 -4.751 -9.599 1.00 0.00 O ATOM 480 OD2 ASP A 31 52.690 -4.260 -7.803 1.00 0.00 O ATOM 0 H ASP A 31 57.284 -5.517 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 31 55.891 -3.544 -9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.283 -5.877 -7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.761 -4.662 -6.506 1.00 0.00 H new ATOM 485 N GLU A 32 55.473 -1.627 -7.442 1.00 0.00 N ATOM 486 CA GLU A 32 55.544 -0.399 -6.586 1.00 0.00 C ATOM 487 C GLU A 32 54.140 -0.060 -6.074 1.00 0.00 C ATOM 488 O GLU A 32 53.154 -0.533 -6.606 1.00 0.00 O ATOM 489 CB GLU A 32 56.094 0.733 -7.477 1.00 0.00 C ATOM 490 CG GLU A 32 57.206 0.224 -8.408 1.00 0.00 C ATOM 491 CD GLU A 32 56.610 -0.136 -9.772 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.469 -0.566 -9.806 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.307 0.026 -10.761 1.00 0.00 O ATOM 0 H GLU A 32 54.846 -1.562 -8.244 1.00 0.00 H new ATOM 0 HA GLU A 32 56.189 -0.543 -5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.284 1.156 -8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.482 1.536 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.974 0.989 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.690 -0.649 -7.970 1.00 0.00 H new ATOM 500 N TYR A 33 54.043 0.717 -5.023 1.00 0.00 N ATOM 501 CA TYR A 33 52.702 1.039 -4.453 1.00 0.00 C ATOM 502 C TYR A 33 52.509 2.548 -4.286 1.00 0.00 C ATOM 503 O TYR A 33 53.292 3.350 -4.757 1.00 0.00 O ATOM 504 CB TYR A 33 52.688 0.378 -3.068 1.00 0.00 C ATOM 505 CG TYR A 33 53.258 -1.023 -3.128 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.606 -2.015 -3.868 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.449 -1.318 -2.455 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.141 -3.304 -3.930 1.00 0.00 C ATOM 509 CE2 TYR A 33 54.986 -2.605 -2.520 1.00 0.00 C ATOM 510 CZ TYR A 33 54.332 -3.598 -3.257 1.00 0.00 C ATOM 511 OH TYR A 33 54.865 -4.864 -3.324 1.00 0.00 O ATOM 0 H TYR A 33 54.834 1.140 -4.538 1.00 0.00 H new ATOM 0 HA TYR A 33 51.907 0.685 -5.109 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.267 0.980 -2.368 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.667 0.343 -2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.690 -1.785 -4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.952 -0.551 -1.886 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.636 -4.072 -4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.906 -2.834 -2.002 1.00 0.00 H new ATOM 0 HH TYR A 33 54.999 -5.113 -4.262 1.00 0.00 H new ATOM 521 N PHE A 34 51.468 2.921 -3.590 1.00 0.00 N ATOM 522 CA PHE A 34 51.184 4.366 -3.339 1.00 0.00 C ATOM 523 C PHE A 34 51.195 4.630 -1.833 1.00 0.00 C ATOM 524 O PHE A 34 50.532 3.948 -1.078 1.00 0.00 O ATOM 525 CB PHE A 34 49.792 4.604 -3.912 1.00 0.00 C ATOM 526 CG PHE A 34 49.911 5.041 -5.352 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.474 4.179 -6.301 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.465 6.310 -5.738 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.589 4.585 -7.636 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.580 6.717 -7.073 1.00 0.00 C ATOM 531 CZ PHE A 34 50.142 5.854 -8.022 1.00 0.00 C ATOM 0 H PHE A 34 50.792 2.277 -3.179 1.00 0.00 H new ATOM 0 HA PHE A 34 51.923 5.025 -3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.198 3.692 -3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.273 5.366 -3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.820 3.200 -6.003 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.032 6.976 -5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 34 51.022 3.919 -8.368 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.235 7.696 -7.371 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.231 6.168 -9.052 1.00 0.00 H new ATOM 541 N ILE A 35 51.955 5.598 -1.389 1.00 0.00 N ATOM 542 CA ILE A 35 52.027 5.880 0.078 1.00 0.00 C ATOM 543 C ILE A 35 51.060 6.988 0.499 1.00 0.00 C ATOM 544 O ILE A 35 51.058 8.077 -0.041 1.00 0.00 O ATOM 545 CB ILE A 35 53.476 6.314 0.339 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.455 5.226 -0.126 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.682 6.570 1.836 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.163 3.900 0.585 1.00 0.00 C ATOM 0 H ILE A 35 52.528 6.204 -1.976 1.00 0.00 H new ATOM 0 HA ILE A 35 51.743 4.999 0.654 1.00 0.00 H new ATOM 0 HB ILE A 35 53.667 7.230 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.373 5.092 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.479 5.538 0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.712 6.878 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.006 7.358 2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.475 5.656 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.867 3.141 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.268 4.034 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.146 3.581 0.357 1.00 0.00 H new ATOM 560 N LEU A 36 50.262 6.707 1.494 1.00 0.00 N ATOM 561 CA LEU A 36 49.303 7.720 2.019 1.00 0.00 C ATOM 562 C LEU A 36 49.771 8.171 3.409 1.00 0.00 C ATOM 563 O LEU A 36 49.567 9.299 3.814 1.00 0.00 O ATOM 564 CB LEU A 36 47.964 6.988 2.114 1.00 0.00 C ATOM 565 CG LEU A 36 47.476 6.631 0.709 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.965 5.229 0.339 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.946 6.661 0.680 1.00 0.00 C ATOM 0 H LEU A 36 50.234 5.806 1.971 1.00 0.00 H new ATOM 0 HA LEU A 36 49.229 8.606 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.074 6.084 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.229 7.616 2.617 1.00 0.00 H new ATOM 0 HG LEU A 36 47.869 7.353 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.617 4.975 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 36 49.055 5.206 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.572 4.506 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.596 6.407 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.554 5.938 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.597 7.659 0.944 1.00 0.00 H new ATOM 579 N GLU A 37 50.409 7.284 4.132 1.00 0.00 N ATOM 580 CA GLU A 37 50.919 7.617 5.494 1.00 0.00 C ATOM 581 C GLU A 37 51.809 6.469 5.980 1.00 0.00 C ATOM 582 O GLU A 37 51.546 5.318 5.688 1.00 0.00 O ATOM 583 CB GLU A 37 49.672 7.746 6.371 1.00 0.00 C ATOM 584 CG GLU A 37 49.914 8.806 7.448 1.00 0.00 C ATOM 585 CD GLU A 37 50.573 8.156 8.666 1.00 0.00 C ATOM 586 OE1 GLU A 37 49.882 7.452 9.384 1.00 0.00 O ATOM 587 OE2 GLU A 37 51.758 8.373 8.859 1.00 0.00 O ATOM 0 H GLU A 37 50.600 6.329 3.829 1.00 0.00 H new ATOM 0 HA GLU A 37 51.512 8.531 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 37 48.812 8.022 5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.440 6.787 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.551 9.599 7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 37 48.970 9.269 7.736 1.00 0.00 H new ATOM 594 N GLU A 38 52.860 6.766 6.705 1.00 0.00 N ATOM 595 CA GLU A 38 53.761 5.670 7.186 1.00 0.00 C ATOM 596 C GLU A 38 53.400 5.236 8.607 1.00 0.00 C ATOM 597 O GLU A 38 54.219 4.706 9.332 1.00 0.00 O ATOM 598 CB GLU A 38 55.181 6.248 7.132 1.00 0.00 C ATOM 599 CG GLU A 38 55.275 7.493 8.023 1.00 0.00 C ATOM 600 CD GLU A 38 56.647 7.536 8.700 1.00 0.00 C ATOM 601 OE1 GLU A 38 57.032 6.533 9.278 1.00 0.00 O ATOM 602 OE2 GLU A 38 57.288 8.572 8.630 1.00 0.00 O ATOM 0 H GLU A 38 53.132 7.709 6.983 1.00 0.00 H new ATOM 0 HA GLU A 38 53.666 4.778 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.900 5.499 7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 38 55.439 6.506 6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 38 55.124 8.392 7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 38 54.487 7.474 8.776 1.00 0.00 H new ATOM 609 N SER A 39 52.170 5.440 8.993 1.00 0.00 N ATOM 610 CA SER A 39 51.701 5.031 10.360 1.00 0.00 C ATOM 611 C SER A 39 52.695 5.434 11.464 1.00 0.00 C ATOM 612 O SER A 39 52.734 4.828 12.516 1.00 0.00 O ATOM 613 CB SER A 39 51.585 3.511 10.284 1.00 0.00 C ATOM 614 OG SER A 39 50.456 3.166 9.493 1.00 0.00 O ATOM 0 H SER A 39 51.455 5.879 8.414 1.00 0.00 H new ATOM 0 HA SER A 39 50.763 5.522 10.618 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.491 3.087 9.851 1.00 0.00 H new ATOM 0 HB3 SER A 39 51.484 3.092 11.285 1.00 0.00 H new ATOM 0 HG SER A 39 50.379 2.190 9.440 1.00 0.00 H new ATOM 620 N ASN A 40 53.496 6.449 11.236 1.00 0.00 N ATOM 621 CA ASN A 40 54.490 6.890 12.272 1.00 0.00 C ATOM 622 C ASN A 40 55.335 5.705 12.773 1.00 0.00 C ATOM 623 O ASN A 40 55.864 5.734 13.868 1.00 0.00 O ATOM 624 CB ASN A 40 53.650 7.468 13.415 1.00 0.00 C ATOM 625 CG ASN A 40 53.485 8.975 13.216 1.00 0.00 C ATOM 626 OD1 ASN A 40 54.051 9.762 13.951 1.00 0.00 O ATOM 627 ND2 ASN A 40 52.730 9.415 12.247 1.00 0.00 N ATOM 0 H ASN A 40 53.505 6.994 10.374 1.00 0.00 H new ATOM 0 HA ASN A 40 55.192 7.619 11.866 1.00 0.00 H new ATOM 0 HB2 ASN A 40 52.673 6.985 13.443 1.00 0.00 H new ATOM 0 HB3 ASN A 40 54.132 7.268 14.372 1.00 0.00 H new ATOM 0 HD21 ASN A 40 52.615 10.419 12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 40 52.255 8.755 11.631 1.00 0.00 H new ATOM 634 N LEU A 41 55.469 4.669 11.978 1.00 0.00 N ATOM 635 CA LEU A 41 56.283 3.489 12.405 1.00 0.00 C ATOM 636 C LEU A 41 56.815 2.741 11.152 1.00 0.00 C ATOM 637 O LEU A 41 56.425 3.073 10.050 1.00 0.00 O ATOM 638 CB LEU A 41 55.322 2.658 13.305 1.00 0.00 C ATOM 639 CG LEU A 41 54.516 1.590 12.525 1.00 0.00 C ATOM 640 CD1 LEU A 41 54.988 0.189 12.932 1.00 0.00 C ATOM 641 CD2 LEU A 41 53.025 1.722 12.863 1.00 0.00 C ATOM 0 H LEU A 41 55.049 4.591 11.052 1.00 0.00 H new ATOM 0 HA LEU A 41 57.182 3.738 12.969 1.00 0.00 H new ATOM 0 HB2 LEU A 41 55.902 2.166 14.085 1.00 0.00 H new ATOM 0 HB3 LEU A 41 54.627 3.334 13.803 1.00 0.00 H new ATOM 0 HG LEU A 41 54.671 1.739 11.456 1.00 0.00 H new ATOM 0 HD11 LEU A 41 54.419 -0.561 12.382 1.00 0.00 H new ATOM 0 HD12 LEU A 41 56.048 0.081 12.702 1.00 0.00 H new ATOM 0 HD13 LEU A 41 54.833 0.049 14.002 1.00 0.00 H new ATOM 0 HD21 LEU A 41 52.459 0.970 12.313 1.00 0.00 H new ATOM 0 HD22 LEU A 41 52.880 1.575 13.933 1.00 0.00 H new ATOM 0 HD23 LEU A 41 52.675 2.716 12.583 1.00 0.00 H new ATOM 653 N PRO A 42 57.701 1.767 11.334 1.00 0.00 N ATOM 654 CA PRO A 42 58.268 1.023 10.169 1.00 0.00 C ATOM 655 C PRO A 42 57.181 0.544 9.194 1.00 0.00 C ATOM 656 O PRO A 42 57.348 0.626 7.991 1.00 0.00 O ATOM 657 CB PRO A 42 58.986 -0.152 10.843 1.00 0.00 C ATOM 658 CG PRO A 42 58.817 -0.022 12.370 1.00 0.00 C ATOM 659 CD PRO A 42 58.183 1.340 12.674 1.00 0.00 C ATOM 0 HA PRO A 42 58.922 1.637 9.550 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.571 -1.098 10.496 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.043 -0.151 10.578 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.188 -0.826 12.751 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.783 -0.110 12.867 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.368 1.258 13.393 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.906 2.042 13.090 1.00 0.00 H new ATOM 667 N TRP A 43 56.074 0.061 9.694 1.00 0.00 N ATOM 668 CA TRP A 43 54.982 -0.405 8.785 1.00 0.00 C ATOM 669 C TRP A 43 54.206 0.808 8.270 1.00 0.00 C ATOM 670 O TRP A 43 54.082 1.807 8.953 1.00 0.00 O ATOM 671 CB TRP A 43 54.096 -1.298 9.650 1.00 0.00 C ATOM 672 CG TRP A 43 54.837 -2.543 9.999 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.595 -2.681 11.094 1.00 0.00 C ATOM 674 CD2 TRP A 43 54.907 -3.813 9.284 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.132 -3.955 11.118 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.736 -4.692 10.020 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.339 -4.284 8.087 1.00 0.00 C ATOM 678 CZ2 TRP A 43 55.992 -5.993 9.585 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.596 -5.593 7.646 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.420 -6.445 8.394 1.00 0.00 C ATOM 0 H TRP A 43 55.878 -0.031 10.691 1.00 0.00 H new ATOM 0 HA TRP A 43 55.354 -0.945 7.914 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.804 -0.769 10.557 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.179 -1.545 9.116 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.761 -1.918 11.840 1.00 0.00 H new ATOM 0 HE1 TRP A 43 56.744 -4.306 11.855 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.702 -3.636 7.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.628 -6.645 10.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.156 -5.945 6.725 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.612 -7.450 8.050 1.00 0.00 H new ATOM 691 N TRP A 44 53.714 0.740 7.061 1.00 0.00 N ATOM 692 CA TRP A 44 52.979 1.901 6.483 1.00 0.00 C ATOM 693 C TRP A 44 51.514 1.568 6.208 1.00 0.00 C ATOM 694 O TRP A 44 51.017 0.519 6.559 1.00 0.00 O ATOM 695 CB TRP A 44 53.680 2.159 5.149 1.00 0.00 C ATOM 696 CG TRP A 44 55.038 2.769 5.334 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.580 3.210 6.495 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.027 3.012 4.305 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.848 3.706 6.234 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.166 3.604 4.892 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.036 2.772 2.925 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.283 3.947 4.127 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.149 3.112 2.151 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.275 3.700 2.749 1.00 0.00 C ATOM 0 H TRP A 44 53.790 -0.072 6.448 1.00 0.00 H new ATOM 0 HA TRP A 44 52.987 2.751 7.165 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.776 1.221 4.603 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.066 2.821 4.539 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.103 3.180 7.464 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.469 4.097 6.943 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.175 2.320 2.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.145 4.399 4.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.143 2.922 1.088 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.133 3.961 2.147 1.00 0.00 H new ATOM 715 N ARG A 45 50.844 2.464 5.536 1.00 0.00 N ATOM 716 CA ARG A 45 49.423 2.249 5.155 1.00 0.00 C ATOM 717 C ARG A 45 49.277 2.720 3.706 1.00 0.00 C ATOM 718 O ARG A 45 48.662 3.730 3.421 1.00 0.00 O ATOM 719 CB ARG A 45 48.606 3.124 6.105 1.00 0.00 C ATOM 720 CG ARG A 45 47.203 2.532 6.265 1.00 0.00 C ATOM 721 CD ARG A 45 46.239 3.621 6.738 1.00 0.00 C ATOM 722 NE ARG A 45 46.258 3.533 8.224 1.00 0.00 N ATOM 723 CZ ARG A 45 45.956 4.578 8.944 1.00 0.00 C ATOM 724 NH1 ARG A 45 44.718 4.985 9.017 1.00 0.00 N ATOM 725 NH2 ARG A 45 46.892 5.217 9.590 1.00 0.00 N ATOM 0 H ARG A 45 51.233 3.356 5.229 1.00 0.00 H new ATOM 0 HA ARG A 45 49.093 1.212 5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 45 49.099 3.185 7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.541 4.140 5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.862 2.117 5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.223 1.712 6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.558 4.606 6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.235 3.457 6.346 1.00 0.00 H new ATOM 0 HE ARG A 45 46.507 2.655 8.679 1.00 0.00 H new ATOM 0 HH11 ARG A 45 43.986 4.486 8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 45 44.482 5.802 9.580 1.00 0.00 H new ATOM 0 HH21 ARG A 45 47.860 4.899 9.532 1.00 0.00 H new ATOM 0 HH22 ARG A 45 46.656 6.034 10.153 1.00 0.00 H new ATOM 739 N ALA A 46 49.889 2.005 2.800 1.00 0.00 N ATOM 740 CA ALA A 46 49.864 2.397 1.361 1.00 0.00 C ATOM 741 C ALA A 46 48.965 1.457 0.556 1.00 0.00 C ATOM 742 O ALA A 46 48.569 0.408 1.031 1.00 0.00 O ATOM 743 CB ALA A 46 51.326 2.257 0.913 1.00 0.00 C ATOM 0 H ALA A 46 50.413 1.153 3.000 1.00 0.00 H new ATOM 0 HA ALA A 46 49.469 3.401 1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.411 2.525 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.954 2.920 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.652 1.226 1.052 1.00 0.00 H new ATOM 749 N ARG A 47 48.648 1.822 -0.663 1.00 0.00 N ATOM 750 CA ARG A 47 47.783 0.946 -1.504 1.00 0.00 C ATOM 751 C ARG A 47 48.577 0.413 -2.694 1.00 0.00 C ATOM 752 O ARG A 47 49.584 0.977 -3.081 1.00 0.00 O ATOM 753 CB ARG A 47 46.648 1.835 -1.997 1.00 0.00 C ATOM 754 CG ARG A 47 45.718 2.173 -0.835 1.00 0.00 C ATOM 755 CD ARG A 47 45.123 3.568 -1.041 1.00 0.00 C ATOM 756 NE ARG A 47 44.823 4.063 0.332 1.00 0.00 N ATOM 757 CZ ARG A 47 43.689 4.660 0.575 1.00 0.00 C ATOM 758 NH1 ARG A 47 43.242 5.571 -0.244 1.00 0.00 N ATOM 759 NH2 ARG A 47 43.001 4.346 1.640 1.00 0.00 N ATOM 0 H ARG A 47 48.952 2.688 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 47 47.412 0.089 -0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.052 2.750 -2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.092 1.328 -2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.920 1.433 -0.768 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.267 2.136 0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.825 4.225 -1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 47 44.221 3.527 -1.652 1.00 0.00 H new ATOM 0 HE ARG A 47 45.504 3.935 1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.779 5.817 -1.075 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.355 6.037 -0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 47 43.351 3.634 2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 47 42.114 4.813 1.830 1.00 0.00 H new ATOM 773 N ASP A 48 48.129 -0.665 -3.278 1.00 0.00 N ATOM 774 CA ASP A 48 48.847 -1.243 -4.447 1.00 0.00 C ATOM 775 C ASP A 48 48.182 -0.788 -5.756 1.00 0.00 C ATOM 776 O ASP A 48 47.584 0.269 -5.817 1.00 0.00 O ATOM 777 CB ASP A 48 48.737 -2.761 -4.252 1.00 0.00 C ATOM 778 CG ASP A 48 47.266 -3.192 -4.280 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.505 -2.681 -3.476 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.930 -4.026 -5.104 1.00 0.00 O ATOM 0 H ASP A 48 47.291 -1.172 -2.993 1.00 0.00 H new ATOM 0 HA ASP A 48 49.887 -0.922 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.290 -3.277 -5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.190 -3.047 -3.303 1.00 0.00 H new ATOM 785 N LYS A 49 48.285 -1.576 -6.798 1.00 0.00 N ATOM 786 CA LYS A 49 47.668 -1.198 -8.098 1.00 0.00 C ATOM 787 C LYS A 49 46.268 -1.811 -8.217 1.00 0.00 C ATOM 788 O LYS A 49 45.890 -2.324 -9.253 1.00 0.00 O ATOM 789 CB LYS A 49 48.609 -1.781 -9.151 1.00 0.00 C ATOM 790 CG LYS A 49 48.116 -1.392 -10.542 1.00 0.00 C ATOM 791 CD LYS A 49 49.302 -1.317 -11.505 1.00 0.00 C ATOM 792 CE LYS A 49 50.145 -0.080 -11.183 1.00 0.00 C ATOM 793 NZ LYS A 49 51.556 -0.515 -11.379 1.00 0.00 N ATOM 0 H LYS A 49 48.775 -2.471 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 49 47.546 -0.121 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.622 -1.410 -8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.649 -2.866 -9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 49 47.390 -2.123 -10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 49 47.606 -0.430 -10.502 1.00 0.00 H new ATOM 0 HD2 LYS A 49 49.911 -2.217 -11.420 1.00 0.00 H new ATOM 0 HD3 LYS A 49 48.946 -1.270 -12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 49 49.893 0.752 -11.841 1.00 0.00 H new ATOM 0 HE3 LYS A 49 49.975 0.259 -10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 52.196 0.280 -11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 51.769 -1.303 -10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 51.690 -0.826 -12.362 1.00 0.00 H new ATOM 807 N ASN A 50 45.499 -1.755 -7.161 1.00 0.00 N ATOM 808 CA ASN A 50 44.124 -2.322 -7.197 1.00 0.00 C ATOM 809 C ASN A 50 43.178 -1.499 -6.314 1.00 0.00 C ATOM 810 O ASN A 50 42.117 -1.961 -5.935 1.00 0.00 O ATOM 811 CB ASN A 50 44.266 -3.744 -6.654 1.00 0.00 C ATOM 812 CG ASN A 50 45.054 -4.596 -7.651 1.00 0.00 C ATOM 813 OD1 ASN A 50 44.480 -5.216 -8.525 1.00 0.00 O ATOM 814 ND2 ASN A 50 46.355 -4.651 -7.558 1.00 0.00 N ATOM 0 H ASN A 50 45.769 -1.337 -6.270 1.00 0.00 H new ATOM 0 HA ASN A 50 43.703 -2.309 -8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.776 -3.727 -5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.281 -4.180 -6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.890 -5.214 -8.219 1.00 0.00 H new ATOM 0 HD22 ASN A 50 46.836 -4.131 -6.825 1.00 0.00 H new ATOM 821 N GLY A 51 43.549 -0.283 -5.986 1.00 0.00 N ATOM 822 CA GLY A 51 42.671 0.571 -5.131 1.00 0.00 C ATOM 823 C GLY A 51 42.473 -0.092 -3.766 1.00 0.00 C ATOM 824 O GLY A 51 41.457 0.092 -3.122 1.00 0.00 O ATOM 0 H GLY A 51 44.424 0.153 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.118 1.557 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.707 0.718 -5.617 1.00 0.00 H new ATOM 828 N GLN A 52 43.436 -0.858 -3.322 1.00 0.00 N ATOM 829 CA GLN A 52 43.312 -1.535 -1.997 1.00 0.00 C ATOM 830 C GLN A 52 44.434 -1.079 -1.061 1.00 0.00 C ATOM 831 O GLN A 52 45.599 -1.123 -1.410 1.00 0.00 O ATOM 832 CB GLN A 52 43.443 -3.027 -2.302 1.00 0.00 C ATOM 833 CG GLN A 52 42.059 -3.616 -2.582 1.00 0.00 C ATOM 834 CD GLN A 52 41.380 -3.978 -1.260 1.00 0.00 C ATOM 835 OE1 GLN A 52 40.631 -3.193 -0.713 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.612 -5.143 -0.719 1.00 0.00 N ATOM 0 H GLN A 52 44.305 -1.044 -3.822 1.00 0.00 H new ATOM 0 HA GLN A 52 42.370 -1.300 -1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.094 -3.177 -3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.905 -3.542 -1.460 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.450 -2.897 -3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 52 42.150 -4.502 -3.211 1.00 0.00 H new ATOM 0 HE21 GLN A 52 42.241 -5.802 -1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.165 -5.394 0.163 1.00 0.00 H new ATOM 845 N GLU A 53 44.088 -0.644 0.122 1.00 0.00 N ATOM 846 CA GLU A 53 45.128 -0.182 1.092 1.00 0.00 C ATOM 847 C GLU A 53 45.475 -1.305 2.072 1.00 0.00 C ATOM 848 O GLU A 53 44.674 -2.186 2.322 1.00 0.00 O ATOM 849 CB GLU A 53 44.493 1.007 1.828 1.00 0.00 C ATOM 850 CG GLU A 53 43.222 0.560 2.569 1.00 0.00 C ATOM 851 CD GLU A 53 42.028 1.406 2.120 1.00 0.00 C ATOM 852 OE1 GLU A 53 41.568 1.206 1.008 1.00 0.00 O ATOM 853 OE2 GLU A 53 41.592 2.241 2.897 1.00 0.00 O ATOM 0 H GLU A 53 43.127 -0.588 0.460 1.00 0.00 H new ATOM 0 HA GLU A 53 46.057 0.101 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.206 1.427 2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.249 1.795 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 53 43.027 -0.494 2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.365 0.660 3.645 1.00 0.00 H new ATOM 860 N GLY A 54 46.658 -1.275 2.632 1.00 0.00 N ATOM 861 CA GLY A 54 47.055 -2.335 3.601 1.00 0.00 C ATOM 862 C GLY A 54 48.347 -1.909 4.287 1.00 0.00 C ATOM 863 O GLY A 54 48.656 -0.736 4.344 1.00 0.00 O ATOM 0 H GLY A 54 47.365 -0.561 2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.267 -2.487 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.196 -3.285 3.085 1.00 0.00 H new ATOM 867 N TYR A 55 49.105 -2.840 4.811 1.00 0.00 N ATOM 868 CA TYR A 55 50.374 -2.451 5.493 1.00 0.00 C ATOM 869 C TYR A 55 51.593 -2.760 4.621 1.00 0.00 C ATOM 870 O TYR A 55 51.626 -3.731 3.890 1.00 0.00 O ATOM 871 CB TYR A 55 50.411 -3.253 6.794 1.00 0.00 C ATOM 872 CG TYR A 55 49.422 -2.670 7.773 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.047 -2.806 7.546 1.00 0.00 C ATOM 874 CD2 TYR A 55 49.879 -1.993 8.910 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.130 -2.265 8.454 1.00 0.00 C ATOM 876 CE2 TYR A 55 48.963 -1.451 9.819 1.00 0.00 C ATOM 877 CZ TYR A 55 47.587 -1.588 9.592 1.00 0.00 C ATOM 878 OH TYR A 55 46.683 -1.054 10.487 1.00 0.00 O ATOM 0 H TYR A 55 48.903 -3.840 4.796 1.00 0.00 H new ATOM 0 HA TYR A 55 50.406 -1.378 5.684 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.171 -4.298 6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.415 -3.232 7.218 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.694 -3.329 6.669 1.00 0.00 H new ATOM 0 HD2 TYR A 55 50.939 -1.889 9.086 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.070 -2.369 8.277 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.317 -0.927 10.695 1.00 0.00 H new ATOM 0 HH TYR A 55 47.166 -0.619 11.220 1.00 0.00 H new ATOM 888 N ILE A 56 52.588 -1.915 4.694 1.00 0.00 N ATOM 889 CA ILE A 56 53.823 -2.103 3.877 1.00 0.00 C ATOM 890 C ILE A 56 55.062 -1.674 4.703 1.00 0.00 C ATOM 891 O ILE A 56 55.250 -0.493 4.917 1.00 0.00 O ATOM 892 CB ILE A 56 53.620 -1.156 2.685 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.465 -1.672 1.824 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.887 -1.078 1.832 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.162 -1.005 2.263 1.00 0.00 C ATOM 0 H ILE A 56 52.597 -1.090 5.294 1.00 0.00 H new ATOM 0 HA ILE A 56 53.985 -3.136 3.569 1.00 0.00 H new ATOM 0 HB ILE A 56 53.393 -0.160 3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.658 -1.459 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.382 -2.755 1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.720 -0.402 0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.712 -0.706 2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.133 -2.070 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.340 -1.373 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 56 50.967 -1.240 3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.248 0.075 2.144 1.00 0.00 H new ATOM 907 N PRO A 57 55.885 -2.620 5.141 1.00 0.00 N ATOM 908 CA PRO A 57 57.093 -2.248 5.926 1.00 0.00 C ATOM 909 C PRO A 57 57.984 -1.297 5.113 1.00 0.00 C ATOM 910 O PRO A 57 58.191 -1.491 3.930 1.00 0.00 O ATOM 911 CB PRO A 57 57.778 -3.599 6.159 1.00 0.00 C ATOM 912 CG PRO A 57 56.929 -4.705 5.504 1.00 0.00 C ATOM 913 CD PRO A 57 55.674 -4.071 4.892 1.00 0.00 C ATOM 0 HA PRO A 57 56.872 -1.722 6.855 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.782 -3.592 5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.886 -3.788 7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.506 -5.217 4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.650 -5.454 6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.587 -4.291 3.828 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.763 -4.435 5.368 1.00 0.00 H new ATOM 921 N SER A 58 58.493 -0.265 5.737 1.00 0.00 N ATOM 922 CA SER A 58 59.356 0.718 5.003 1.00 0.00 C ATOM 923 C SER A 58 60.553 0.020 4.346 1.00 0.00 C ATOM 924 O SER A 58 60.852 0.247 3.189 1.00 0.00 O ATOM 925 CB SER A 58 59.838 1.703 6.070 1.00 0.00 C ATOM 926 OG SER A 58 60.659 2.690 5.460 1.00 0.00 O ATOM 0 H SER A 58 58.349 -0.058 6.725 1.00 0.00 H new ATOM 0 HA SER A 58 58.806 1.211 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.985 2.174 6.559 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.397 1.175 6.843 1.00 0.00 H new ATOM 0 HG SER A 58 60.171 3.110 4.721 1.00 0.00 H new ATOM 932 N ASN A 59 61.239 -0.818 5.079 1.00 0.00 N ATOM 933 CA ASN A 59 62.427 -1.526 4.505 1.00 0.00 C ATOM 934 C ASN A 59 62.014 -2.373 3.298 1.00 0.00 C ATOM 935 O ASN A 59 62.714 -2.453 2.307 1.00 0.00 O ATOM 936 CB ASN A 59 62.956 -2.402 5.654 1.00 0.00 C ATOM 937 CG ASN A 59 62.002 -3.569 5.952 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.891 -3.363 6.396 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.397 -4.792 5.723 1.00 0.00 N ATOM 0 H ASN A 59 61.029 -1.044 6.051 1.00 0.00 H new ATOM 0 HA ASN A 59 63.190 -0.837 4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.940 -2.792 5.394 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.081 -1.794 6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.772 -5.575 5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.330 -4.965 5.350 1.00 0.00 H new ATOM 946 N TYR A 60 60.885 -3.011 3.396 1.00 0.00 N ATOM 947 CA TYR A 60 60.399 -3.878 2.278 1.00 0.00 C ATOM 948 C TYR A 60 60.160 -3.062 0.997 1.00 0.00 C ATOM 949 O TYR A 60 60.040 -3.622 -0.075 1.00 0.00 O ATOM 950 CB TYR A 60 59.083 -4.486 2.779 1.00 0.00 C ATOM 951 CG TYR A 60 59.303 -5.929 3.175 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.753 -6.240 4.464 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.059 -6.952 2.253 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.957 -7.576 4.830 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.263 -8.289 2.618 1.00 0.00 C ATOM 956 CZ TYR A 60 59.713 -8.600 3.908 1.00 0.00 C ATOM 957 OH TYR A 60 59.913 -9.917 4.270 1.00 0.00 O ATOM 0 H TYR A 60 60.269 -2.972 4.208 1.00 0.00 H new ATOM 0 HA TYR A 60 61.134 -4.640 2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.711 -3.918 3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.324 -4.425 1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.943 -5.450 5.175 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.713 -6.711 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.303 -7.816 5.824 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.074 -9.079 1.906 1.00 0.00 H new ATOM 0 HH TYR A 60 59.696 -10.501 3.513 1.00 0.00 H new ATOM 967 N VAL A 61 60.091 -1.754 1.090 1.00 0.00 N ATOM 968 CA VAL A 61 59.861 -0.930 -0.141 1.00 0.00 C ATOM 969 C VAL A 61 60.876 0.210 -0.235 1.00 0.00 C ATOM 970 O VAL A 61 61.591 0.505 0.703 1.00 0.00 O ATOM 971 CB VAL A 61 58.443 -0.365 -0.020 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.432 -1.514 -0.039 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.297 0.417 1.288 1.00 0.00 C ATOM 0 H VAL A 61 60.183 -1.225 1.957 1.00 0.00 H new ATOM 0 HA VAL A 61 59.978 -1.535 -1.040 1.00 0.00 H new ATOM 0 HB VAL A 61 58.256 0.305 -0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.423 -1.112 0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.525 -2.065 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.628 -2.185 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.285 0.814 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.491 -0.246 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.012 1.240 1.302 1.00 0.00 H new ATOM 983 N THR A 62 60.932 0.854 -1.372 1.00 0.00 N ATOM 984 CA THR A 62 61.884 1.988 -1.565 1.00 0.00 C ATOM 985 C THR A 62 61.197 3.091 -2.397 1.00 0.00 C ATOM 986 O THR A 62 60.071 3.448 -2.118 1.00 0.00 O ATOM 987 CB THR A 62 63.091 1.368 -2.291 1.00 0.00 C ATOM 988 OG1 THR A 62 64.059 2.378 -2.536 1.00 0.00 O ATOM 989 CG2 THR A 62 62.648 0.754 -3.623 1.00 0.00 C ATOM 0 H THR A 62 60.352 0.640 -2.184 1.00 0.00 H new ATOM 0 HA THR A 62 62.199 2.460 -0.634 1.00 0.00 H new ATOM 0 HB THR A 62 63.521 0.586 -1.666 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.830 1.987 -2.997 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.510 0.318 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.906 -0.023 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.212 1.529 -4.254 1.00 0.00 H new ATOM 997 N GLU A 63 61.843 3.638 -3.403 1.00 0.00 N ATOM 998 CA GLU A 63 61.190 4.707 -4.219 1.00 0.00 C ATOM 999 C GLU A 63 60.422 4.085 -5.388 1.00 0.00 C ATOM 1000 O GLU A 63 60.873 3.141 -6.006 1.00 0.00 O ATOM 1001 CB GLU A 63 62.338 5.579 -4.729 1.00 0.00 C ATOM 1002 CG GLU A 63 62.817 6.502 -3.606 1.00 0.00 C ATOM 1003 CD GLU A 63 64.321 6.740 -3.748 1.00 0.00 C ATOM 1004 OE1 GLU A 63 65.075 5.823 -3.468 1.00 0.00 O ATOM 1005 OE2 GLU A 63 64.693 7.835 -4.136 1.00 0.00 O ATOM 0 H GLU A 63 62.790 3.390 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 63 60.470 5.286 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.160 4.951 -5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.008 6.170 -5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.282 7.451 -3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 63 62.599 6.056 -2.636 1.00 0.00 H new ATOM 1012 N ALA A 64 59.257 4.607 -5.691 1.00 0.00 N ATOM 1013 CA ALA A 64 58.437 4.048 -6.816 1.00 0.00 C ATOM 1014 C ALA A 64 59.262 3.973 -8.108 1.00 0.00 C ATOM 1015 O ALA A 64 59.037 3.121 -8.948 1.00 0.00 O ATOM 1016 CB ALA A 64 57.271 5.023 -6.986 1.00 0.00 C ATOM 0 H ALA A 64 58.836 5.400 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 64 58.098 3.035 -6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.625 4.680 -7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.699 5.071 -6.059 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.657 6.014 -7.226 1.00 0.00 H new ATOM 1022 N GLU A 65 60.212 4.859 -8.268 1.00 0.00 N ATOM 1023 CA GLU A 65 61.055 4.848 -9.500 1.00 0.00 C ATOM 1024 C GLU A 65 62.535 4.718 -9.127 1.00 0.00 C ATOM 1025 O GLU A 65 62.875 4.475 -7.985 1.00 0.00 O ATOM 1026 CB GLU A 65 60.789 6.195 -10.175 1.00 0.00 C ATOM 1027 CG GLU A 65 59.321 6.272 -10.599 1.00 0.00 C ATOM 1028 CD GLU A 65 59.114 7.491 -11.502 1.00 0.00 C ATOM 1029 OE1 GLU A 65 59.039 8.588 -10.974 1.00 0.00 O ATOM 1030 OE2 GLU A 65 59.034 7.305 -12.705 1.00 0.00 O ATOM 0 H GLU A 65 60.440 5.591 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 65 60.817 4.010 -10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 65 61.024 7.010 -9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 65 61.436 6.312 -11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 65 59.036 5.362 -11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 65 58.681 6.344 -9.720 1.00 0.00 H new ATOM 1037 N ASP A 66 63.412 4.879 -10.085 1.00 0.00 N ATOM 1038 CA ASP A 66 64.873 4.766 -9.796 1.00 0.00 C ATOM 1039 C ASP A 66 65.547 6.135 -9.932 1.00 0.00 C ATOM 1040 O ASP A 66 65.948 6.533 -11.011 1.00 0.00 O ATOM 1041 CB ASP A 66 65.411 3.798 -10.849 1.00 0.00 C ATOM 1042 CG ASP A 66 65.118 2.359 -10.417 1.00 0.00 C ATOM 1043 OD1 ASP A 66 64.019 1.896 -10.677 1.00 0.00 O ATOM 1044 OD2 ASP A 66 65.996 1.746 -9.835 1.00 0.00 O ATOM 0 H ASP A 66 63.178 5.084 -11.056 1.00 0.00 H new ATOM 0 HA ASP A 66 65.067 4.416 -8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 66 64.948 4.000 -11.815 1.00 0.00 H new ATOM 0 HB3 ASP A 66 66.484 3.940 -10.974 1.00 0.00 H new ATOM 1049 N SER A 67 65.672 6.855 -8.846 1.00 0.00 N ATOM 1050 CA SER A 67 66.319 8.200 -8.903 1.00 0.00 C ATOM 1051 C SER A 67 66.783 8.622 -7.507 1.00 0.00 C ATOM 1052 O SER A 67 66.948 9.813 -7.294 1.00 0.00 O ATOM 1053 CB SER A 67 65.229 9.142 -9.412 1.00 0.00 C ATOM 1054 OG SER A 67 64.962 8.855 -10.779 1.00 0.00 O ATOM 1055 OXT SER A 67 66.968 7.749 -6.675 1.00 0.00 O ATOM 0 H SER A 67 65.353 6.568 -7.921 1.00 0.00 H new ATOM 0 HA SER A 67 67.199 8.209 -9.547 1.00 0.00 H new ATOM 0 HB2 SER A 67 64.322 9.022 -8.819 1.00 0.00 H new ATOM 0 HB3 SER A 67 65.547 10.179 -9.301 1.00 0.00 H new ATOM 0 HG SER A 67 65.579 8.162 -11.094 1.00 0.00 H new TER 1061 SER A 67