USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 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 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= -0.861 USER MOD Single : A 5 THR OG1 : rot 50:sc= -0.177 USER MOD Single : A 6 SER OG : rot -58:sc= 1.16 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 170:sc= -0.106 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -113:sc= -0.0664 (180deg=-3.01!) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 23 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.2) USER MOD Single : A 26 GLN : amide:sc= -0.375 X(o=-0.38,f=0.11) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 26:sc= -2.22 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.000925 X(o=-0.00093,f=-0.031) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.391 K(o=-0.39,f=-5.4!) USER MOD Single : A 52 GLN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 55 TYR OH : rot 150:sc= 0.955 USER MOD Single : A 58 SER OG : rot -9:sc= -0.742 USER MOD Single : A 59 ASN : amide:sc= -3.33! C(o=-3.3!,f=-2.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.24 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 42.501 22.682 2.288 1.00 0.00 N ATOM 2 CA GLY A 1 41.679 22.359 1.087 1.00 0.00 C ATOM 3 C GLY A 1 42.562 22.391 -0.161 1.00 0.00 C ATOM 4 O GLY A 1 42.661 21.419 -0.886 1.00 0.00 O ATOM 0 H1 GLY A 1 41.900 22.660 3.136 1.00 0.00 H new ATOM 0 H2 GLY A 1 43.263 21.981 2.386 1.00 0.00 H new ATOM 0 H3 GLY A 1 42.914 23.630 2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 41.225 21.374 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 1 40.864 23.076 0.987 1.00 0.00 H new ATOM 10 N SER A 2 43.206 23.503 -0.414 1.00 0.00 N ATOM 11 CA SER A 2 44.088 23.609 -1.614 1.00 0.00 C ATOM 12 C SER A 2 45.559 23.630 -1.190 1.00 0.00 C ATOM 13 O SER A 2 46.393 24.225 -1.846 1.00 0.00 O ATOM 14 CB SER A 2 43.701 24.931 -2.274 1.00 0.00 C ATOM 15 OG SER A 2 44.213 26.009 -1.501 1.00 0.00 O ATOM 0 H SER A 2 43.158 24.344 0.161 1.00 0.00 H new ATOM 0 HA SER A 2 43.966 22.764 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 2 44.098 24.975 -3.288 1.00 0.00 H new ATOM 0 HB3 SER A 2 42.617 25.008 -2.353 1.00 0.00 H new ATOM 0 HG SER A 2 43.968 26.859 -1.923 1.00 0.00 H new ATOM 21 N MET A 3 45.879 22.985 -0.097 1.00 0.00 N ATOM 22 CA MET A 3 47.295 22.962 0.379 1.00 0.00 C ATOM 23 C MET A 3 47.624 21.602 0.998 1.00 0.00 C ATOM 24 O MET A 3 47.441 21.389 2.182 1.00 0.00 O ATOM 25 CB MET A 3 47.376 24.065 1.435 1.00 0.00 C ATOM 26 CG MET A 3 48.838 24.466 1.644 1.00 0.00 C ATOM 27 SD MET A 3 49.030 25.215 3.280 1.00 0.00 S ATOM 28 CE MET A 3 48.373 26.847 2.861 1.00 0.00 C ATOM 0 H MET A 3 45.219 22.472 0.488 1.00 0.00 H new ATOM 0 HA MET A 3 48.005 23.121 -0.432 1.00 0.00 H new ATOM 0 HB2 MET A 3 46.792 24.930 1.118 1.00 0.00 H new ATOM 0 HB3 MET A 3 46.946 23.716 2.374 1.00 0.00 H new ATOM 0 HG2 MET A 3 49.482 23.591 1.555 1.00 0.00 H new ATOM 0 HG3 MET A 3 49.147 25.170 0.871 1.00 0.00 H new ATOM 0 HE1 MET A 3 48.398 27.487 3.743 1.00 0.00 H new ATOM 0 HE2 MET A 3 48.980 27.292 2.073 1.00 0.00 H new ATOM 0 HE3 MET A 3 47.344 26.747 2.514 1.00 0.00 H new ATOM 38 N SER A 4 48.109 20.682 0.203 1.00 0.00 N ATOM 39 CA SER A 4 48.455 19.330 0.733 1.00 0.00 C ATOM 40 C SER A 4 49.531 18.681 -0.142 1.00 0.00 C ATOM 41 O SER A 4 49.247 17.818 -0.952 1.00 0.00 O ATOM 42 CB SER A 4 47.152 18.533 0.665 1.00 0.00 C ATOM 43 OG SER A 4 46.089 19.328 1.173 1.00 0.00 O ATOM 0 H SER A 4 48.281 20.811 -0.794 1.00 0.00 H new ATOM 0 HA SER A 4 48.853 19.371 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 4 46.944 18.241 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 4 47.243 17.614 1.244 1.00 0.00 H new ATOM 0 HG SER A 4 45.252 18.821 1.130 1.00 0.00 H new ATOM 49 N THR A 5 50.763 19.094 0.015 1.00 0.00 N ATOM 50 CA THR A 5 51.866 18.508 -0.805 1.00 0.00 C ATOM 51 C THR A 5 53.030 18.077 0.094 1.00 0.00 C ATOM 52 O THR A 5 52.925 18.089 1.304 1.00 0.00 O ATOM 53 CB THR A 5 52.301 19.631 -1.756 1.00 0.00 C ATOM 54 OG1 THR A 5 53.374 19.172 -2.565 1.00 0.00 O ATOM 55 CG2 THR A 5 52.755 20.854 -0.953 1.00 0.00 C ATOM 0 H THR A 5 51.053 19.813 0.677 1.00 0.00 H new ATOM 0 HA THR A 5 51.545 17.620 -1.349 1.00 0.00 H new ATOM 0 HB THR A 5 51.457 19.913 -2.386 1.00 0.00 H new ATOM 0 HG1 THR A 5 53.138 18.308 -2.962 1.00 0.00 H new ATOM 0 HG21 THR A 5 53.062 21.645 -1.637 1.00 0.00 H new ATOM 0 HG22 THR A 5 51.931 21.209 -0.334 1.00 0.00 H new ATOM 0 HG23 THR A 5 53.596 20.579 -0.316 1.00 0.00 H new ATOM 63 N SER A 6 54.138 17.699 -0.499 1.00 0.00 N ATOM 64 CA SER A 6 55.333 17.258 0.294 1.00 0.00 C ATOM 65 C SER A 6 54.973 16.083 1.214 1.00 0.00 C ATOM 66 O SER A 6 53.816 15.804 1.464 1.00 0.00 O ATOM 67 CB SER A 6 55.780 18.488 1.103 1.00 0.00 C ATOM 68 OG SER A 6 55.115 18.517 2.362 1.00 0.00 O ATOM 0 H SER A 6 54.268 17.677 -1.510 1.00 0.00 H new ATOM 0 HA SER A 6 56.135 16.903 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 6 56.859 18.460 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 55.559 19.399 0.546 1.00 0.00 H new ATOM 0 HG SER A 6 54.145 18.524 2.220 1.00 0.00 H new ATOM 74 N GLU A 7 55.966 15.386 1.716 1.00 0.00 N ATOM 75 CA GLU A 7 55.706 14.217 2.624 1.00 0.00 C ATOM 76 C GLU A 7 54.683 13.257 2.003 1.00 0.00 C ATOM 77 O GLU A 7 53.762 12.810 2.660 1.00 0.00 O ATOM 78 CB GLU A 7 55.156 14.826 3.914 1.00 0.00 C ATOM 79 CG GLU A 7 56.316 15.180 4.847 1.00 0.00 C ATOM 80 CD GLU A 7 56.811 13.914 5.549 1.00 0.00 C ATOM 81 OE1 GLU A 7 56.800 12.869 4.919 1.00 0.00 O ATOM 82 OE2 GLU A 7 57.195 14.011 6.703 1.00 0.00 O ATOM 0 H GLU A 7 56.952 15.576 1.536 1.00 0.00 H new ATOM 0 HA GLU A 7 56.610 13.634 2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 7 54.572 15.718 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 7 54.484 14.121 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 7 57.128 15.635 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 7 55.992 15.915 5.584 1.00 0.00 H new ATOM 89 N LEU A 8 54.841 12.944 0.742 1.00 0.00 N ATOM 90 CA LEU A 8 53.882 12.017 0.069 1.00 0.00 C ATOM 91 C LEU A 8 54.441 11.562 -1.281 1.00 0.00 C ATOM 92 O LEU A 8 54.614 12.351 -2.189 1.00 0.00 O ATOM 93 CB LEU A 8 52.610 12.841 -0.128 1.00 0.00 C ATOM 94 CG LEU A 8 51.384 11.954 0.093 1.00 0.00 C ATOM 95 CD1 LEU A 8 50.153 12.831 0.329 1.00 0.00 C ATOM 96 CD2 LEU A 8 51.157 11.081 -1.144 1.00 0.00 C ATOM 0 H LEU A 8 55.594 13.291 0.149 1.00 0.00 H new ATOM 0 HA LEU A 8 53.699 11.116 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 8 52.596 13.679 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 8 52.590 13.263 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 8 51.549 11.318 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 8 49.280 12.198 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 8 50.313 13.454 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 8 49.988 13.467 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 8 50.283 10.448 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 8 50.993 11.718 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.033 10.455 -1.313 1.00 0.00 H new ATOM 108 N LYS A 9 54.723 10.291 -1.415 1.00 0.00 N ATOM 109 CA LYS A 9 55.270 9.769 -2.703 1.00 0.00 C ATOM 110 C LYS A 9 55.104 8.248 -2.764 1.00 0.00 C ATOM 111 O LYS A 9 55.130 7.574 -1.754 1.00 0.00 O ATOM 112 CB LYS A 9 56.751 10.149 -2.689 1.00 0.00 C ATOM 113 CG LYS A 9 57.191 10.546 -4.100 1.00 0.00 C ATOM 114 CD LYS A 9 58.712 10.427 -4.215 1.00 0.00 C ATOM 115 CE LYS A 9 59.226 11.427 -5.252 1.00 0.00 C ATOM 116 NZ LYS A 9 60.628 11.007 -5.528 1.00 0.00 N ATOM 0 H LYS A 9 54.597 9.590 -0.685 1.00 0.00 H new ATOM 0 HA LYS A 9 54.755 10.181 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 9 56.918 10.976 -1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 9 57.349 9.310 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 9 56.709 9.903 -4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 9 56.879 11.568 -4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 9 59.176 10.619 -3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 9 58.987 9.413 -4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 9 58.621 11.403 -6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 9 59.187 12.447 -4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 61.050 11.646 -6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 61.182 11.047 -4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 60.633 10.035 -5.897 1.00 0.00 H new ATOM 130 N LYS A 10 54.934 7.708 -3.944 1.00 0.00 N ATOM 131 CA LYS A 10 54.762 6.225 -4.083 1.00 0.00 C ATOM 132 C LYS A 10 55.990 5.492 -3.527 1.00 0.00 C ATOM 133 O LYS A 10 56.805 6.074 -2.840 1.00 0.00 O ATOM 134 CB LYS A 10 54.609 5.972 -5.589 1.00 0.00 C ATOM 135 CG LYS A 10 55.822 6.533 -6.348 1.00 0.00 C ATOM 136 CD LYS A 10 55.403 7.756 -7.169 1.00 0.00 C ATOM 137 CE LYS A 10 55.037 7.316 -8.589 1.00 0.00 C ATOM 138 NZ LYS A 10 55.532 8.411 -9.469 1.00 0.00 N ATOM 0 H LYS A 10 54.906 8.229 -4.820 1.00 0.00 H new ATOM 0 HA LYS A 10 53.900 5.858 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.516 4.903 -5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.695 6.441 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.607 6.808 -5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 10 56.237 5.768 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 10 54.552 8.249 -6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 10 56.215 8.482 -7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 10 55.505 6.365 -8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 10 53.961 7.180 -8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 55.318 8.183 -10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 55.064 9.303 -9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 56.560 8.513 -9.351 1.00 0.00 H new ATOM 152 N VAL A 11 56.134 4.226 -3.841 1.00 0.00 N ATOM 153 CA VAL A 11 57.310 3.437 -3.356 1.00 0.00 C ATOM 154 C VAL A 11 57.399 2.143 -4.163 1.00 0.00 C ATOM 155 O VAL A 11 56.421 1.707 -4.737 1.00 0.00 O ATOM 156 CB VAL A 11 57.105 3.096 -1.867 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.594 4.255 -0.995 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.632 2.793 -1.570 1.00 0.00 C ATOM 0 H VAL A 11 55.479 3.701 -4.420 1.00 0.00 H new ATOM 0 HA VAL A 11 58.227 4.014 -3.477 1.00 0.00 H new ATOM 0 HB VAL A 11 57.686 2.203 -1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.446 4.007 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.654 4.428 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.031 5.156 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.515 2.556 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.025 3.664 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.307 1.943 -2.171 1.00 0.00 H new ATOM 168 N VAL A 12 58.548 1.519 -4.207 1.00 0.00 N ATOM 169 CA VAL A 12 58.679 0.252 -4.980 1.00 0.00 C ATOM 170 C VAL A 12 58.731 -0.938 -3.993 1.00 0.00 C ATOM 171 O VAL A 12 58.762 -0.752 -2.794 1.00 0.00 O ATOM 172 CB VAL A 12 59.993 0.442 -5.789 1.00 0.00 C ATOM 173 CG1 VAL A 12 60.917 -0.784 -5.743 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.643 0.703 -7.245 1.00 0.00 C ATOM 0 H VAL A 12 59.399 1.833 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 12 57.846 0.038 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 12 60.523 1.279 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 12 61.815 -0.585 -6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.195 -0.992 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.397 -1.647 -6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.559 0.838 -7.821 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.086 -0.145 -7.643 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.033 1.604 -7.317 1.00 0.00 H new ATOM 184 N ALA A 13 58.768 -2.149 -4.495 1.00 0.00 N ATOM 185 CA ALA A 13 58.848 -3.344 -3.595 1.00 0.00 C ATOM 186 C ALA A 13 60.191 -4.052 -3.809 1.00 0.00 C ATOM 187 O ALA A 13 60.698 -4.098 -4.914 1.00 0.00 O ATOM 188 CB ALA A 13 57.691 -4.240 -4.023 1.00 0.00 C ATOM 0 H ALA A 13 58.746 -2.362 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 13 58.782 -3.084 -2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.681 -5.140 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.750 -3.704 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.813 -4.517 -5.070 1.00 0.00 H new ATOM 194 N LEU A 14 60.787 -4.586 -2.764 1.00 0.00 N ATOM 195 CA LEU A 14 62.119 -5.264 -2.928 1.00 0.00 C ATOM 196 C LEU A 14 62.225 -6.557 -2.097 1.00 0.00 C ATOM 197 O LEU A 14 63.268 -7.185 -2.082 1.00 0.00 O ATOM 198 CB LEU A 14 63.159 -4.258 -2.408 1.00 0.00 C ATOM 199 CG LEU A 14 62.985 -2.885 -3.069 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.924 -1.879 -2.400 1.00 0.00 C ATOM 201 CD2 LEU A 14 63.328 -2.978 -4.558 1.00 0.00 C ATOM 0 H LEU A 14 60.414 -4.582 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 14 62.268 -5.545 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 14 63.063 -4.158 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 14 64.163 -4.634 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 14 61.951 -2.560 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.803 -0.902 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.683 -1.806 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.956 -2.211 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 14 63.203 -2.000 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.361 -3.305 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 14 62.665 -3.696 -5.040 1.00 0.00 H new ATOM 213 N TYR A 15 61.191 -6.951 -1.389 1.00 0.00 N ATOM 214 CA TYR A 15 61.304 -8.194 -0.550 1.00 0.00 C ATOM 215 C TYR A 15 59.961 -8.922 -0.390 1.00 0.00 C ATOM 216 O TYR A 15 59.846 -9.836 0.400 1.00 0.00 O ATOM 217 CB TYR A 15 61.765 -7.674 0.798 1.00 0.00 C ATOM 218 CG TYR A 15 63.239 -7.347 0.739 1.00 0.00 C ATOM 219 CD1 TYR A 15 64.187 -8.361 0.916 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.655 -6.032 0.506 1.00 0.00 C ATOM 221 CE1 TYR A 15 65.553 -8.058 0.862 1.00 0.00 C ATOM 222 CE2 TYR A 15 65.021 -5.729 0.451 1.00 0.00 C ATOM 223 CZ TYR A 15 65.970 -6.742 0.628 1.00 0.00 C ATOM 224 OH TYR A 15 67.316 -6.444 0.574 1.00 0.00 O ATOM 0 H TYR A 15 60.288 -6.477 -1.354 1.00 0.00 H new ATOM 0 HA TYR A 15 61.978 -8.920 -1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 15 61.196 -6.785 1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 15 61.579 -8.421 1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 15 63.865 -9.376 1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.923 -5.250 0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 15 66.285 -8.840 1.001 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.342 -4.713 0.272 1.00 0.00 H new ATOM 0 HH TYR A 15 67.432 -5.486 0.403 1.00 0.00 H new ATOM 234 N ASP A 16 58.967 -8.554 -1.159 1.00 0.00 N ATOM 235 CA ASP A 16 57.634 -9.216 -1.100 1.00 0.00 C ATOM 236 C ASP A 16 57.048 -9.253 0.321 1.00 0.00 C ATOM 237 O ASP A 16 57.743 -9.145 1.311 1.00 0.00 O ATOM 238 CB ASP A 16 57.897 -10.616 -1.623 1.00 0.00 C ATOM 239 CG ASP A 16 57.645 -10.676 -3.127 1.00 0.00 C ATOM 240 OD1 ASP A 16 58.515 -10.254 -3.870 1.00 0.00 O ATOM 241 OD2 ASP A 16 56.587 -11.145 -3.513 1.00 0.00 O ATOM 0 H ASP A 16 59.030 -7.800 -1.843 1.00 0.00 H new ATOM 0 HA ASP A 16 56.891 -8.673 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 16 58.926 -10.904 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 16 57.252 -11.330 -1.111 1.00 0.00 H new ATOM 246 N TYR A 17 55.750 -9.408 0.415 1.00 0.00 N ATOM 247 CA TYR A 17 55.071 -9.462 1.748 1.00 0.00 C ATOM 248 C TYR A 17 53.585 -9.773 1.543 1.00 0.00 C ATOM 249 O TYR A 17 52.746 -8.893 1.589 1.00 0.00 O ATOM 250 CB TYR A 17 55.258 -8.070 2.370 1.00 0.00 C ATOM 251 CG TYR A 17 54.583 -8.016 3.721 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.895 -8.968 4.699 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.645 -7.013 3.994 1.00 0.00 C ATOM 254 CE1 TYR A 17 54.266 -8.916 5.950 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.017 -6.962 5.243 1.00 0.00 C ATOM 256 CZ TYR A 17 53.327 -7.914 6.222 1.00 0.00 C ATOM 257 OH TYR A 17 52.710 -7.865 7.454 1.00 0.00 O ATOM 0 H TYR A 17 55.124 -9.501 -0.385 1.00 0.00 H new ATOM 0 HA TYR A 17 55.484 -10.235 2.396 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.320 -7.849 2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.837 -7.309 1.713 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.619 -9.741 4.490 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.406 -6.278 3.240 1.00 0.00 H new ATOM 0 HE1 TYR A 17 54.506 -9.650 6.705 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.293 -6.188 5.452 1.00 0.00 H new ATOM 0 HH TYR A 17 52.216 -7.023 7.539 1.00 0.00 H new ATOM 267 N MET A 18 53.260 -11.018 1.307 1.00 0.00 N ATOM 268 CA MET A 18 51.829 -11.396 1.086 1.00 0.00 C ATOM 269 C MET A 18 50.978 -11.034 2.317 1.00 0.00 C ATOM 270 O MET A 18 51.506 -10.912 3.404 1.00 0.00 O ATOM 271 CB MET A 18 51.840 -12.913 0.871 1.00 0.00 C ATOM 272 CG MET A 18 52.112 -13.216 -0.604 1.00 0.00 C ATOM 273 SD MET A 18 50.563 -13.126 -1.535 1.00 0.00 S ATOM 274 CE MET A 18 50.010 -14.821 -1.223 1.00 0.00 C ATOM 0 H MET A 18 53.924 -11.791 1.257 1.00 0.00 H new ATOM 0 HA MET A 18 51.397 -10.867 0.237 1.00 0.00 H new ATOM 0 HB2 MET A 18 52.605 -13.374 1.495 1.00 0.00 H new ATOM 0 HB3 MET A 18 50.883 -13.341 1.171 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.832 -12.503 -1.006 1.00 0.00 H new ATOM 0 HG3 MET A 18 52.553 -14.207 -0.707 1.00 0.00 H new ATOM 0 HE1 MET A 18 49.052 -14.988 -1.716 1.00 0.00 H new ATOM 0 HE2 MET A 18 50.747 -15.522 -1.615 1.00 0.00 H new ATOM 0 HE3 MET A 18 49.898 -14.975 -0.150 1.00 0.00 H new ATOM 284 N PRO A 19 49.680 -10.866 2.121 1.00 0.00 N ATOM 285 CA PRO A 19 48.788 -10.509 3.250 1.00 0.00 C ATOM 286 C PRO A 19 48.705 -11.663 4.254 1.00 0.00 C ATOM 287 O PRO A 19 48.470 -12.799 3.889 1.00 0.00 O ATOM 288 CB PRO A 19 47.438 -10.282 2.557 1.00 0.00 C ATOM 289 CG PRO A 19 47.611 -10.522 1.046 1.00 0.00 C ATOM 290 CD PRO A 19 49.035 -11.014 0.786 1.00 0.00 C ATOM 0 HA PRO A 19 49.128 -9.644 3.820 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.686 -10.959 2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 19 47.085 -9.267 2.740 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.887 -11.258 0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.423 -9.601 0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 19 49.050 -12.048 0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.537 -10.417 0.025 1.00 0.00 H new ATOM 298 N MET A 20 48.890 -11.374 5.517 1.00 0.00 N ATOM 299 CA MET A 20 48.817 -12.447 6.555 1.00 0.00 C ATOM 300 C MET A 20 47.356 -12.727 6.907 1.00 0.00 C ATOM 301 O MET A 20 46.906 -13.857 6.883 1.00 0.00 O ATOM 302 CB MET A 20 49.558 -11.883 7.770 1.00 0.00 C ATOM 303 CG MET A 20 51.006 -11.567 7.388 1.00 0.00 C ATOM 304 SD MET A 20 52.069 -11.749 8.841 1.00 0.00 S ATOM 305 CE MET A 20 53.651 -11.781 7.963 1.00 0.00 C ATOM 0 H MET A 20 49.089 -10.440 5.875 1.00 0.00 H new ATOM 0 HA MET A 20 49.256 -13.384 6.213 1.00 0.00 H new ATOM 0 HB2 MET A 20 49.060 -10.981 8.126 1.00 0.00 H new ATOM 0 HB3 MET A 20 49.536 -12.603 8.588 1.00 0.00 H new ATOM 0 HG2 MET A 20 51.338 -12.237 6.595 1.00 0.00 H new ATOM 0 HG3 MET A 20 51.077 -10.552 6.998 1.00 0.00 H new ATOM 0 HE1 MET A 20 54.102 -12.768 8.062 1.00 0.00 H new ATOM 0 HE2 MET A 20 53.486 -11.562 6.908 1.00 0.00 H new ATOM 0 HE3 MET A 20 54.319 -11.032 8.389 1.00 0.00 H new ATOM 315 N ASN A 21 46.618 -11.699 7.234 1.00 0.00 N ATOM 316 CA ASN A 21 45.180 -11.883 7.590 1.00 0.00 C ATOM 317 C ASN A 21 44.297 -10.996 6.712 1.00 0.00 C ATOM 318 O ASN A 21 43.399 -11.467 6.041 1.00 0.00 O ATOM 319 CB ASN A 21 45.078 -11.461 9.056 1.00 0.00 C ATOM 320 CG ASN A 21 43.653 -11.697 9.558 1.00 0.00 C ATOM 321 OD1 ASN A 21 43.019 -12.665 9.186 1.00 0.00 O ATOM 322 ND2 ASN A 21 43.119 -10.848 10.392 1.00 0.00 N ATOM 0 H ASN A 21 46.951 -10.736 7.270 1.00 0.00 H new ATOM 0 HA ASN A 21 44.846 -12.909 7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.786 -12.030 9.659 1.00 0.00 H new ATOM 0 HB3 ASN A 21 45.342 -10.409 9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 21 42.169 -10.996 10.732 1.00 0.00 H new ATOM 0 HD22 ASN A 21 43.652 -10.036 10.704 1.00 0.00 H new ATOM 329 N ALA A 22 44.550 -9.714 6.716 1.00 0.00 N ATOM 330 CA ALA A 22 43.733 -8.776 5.884 1.00 0.00 C ATOM 331 C ALA A 22 44.376 -7.386 5.856 1.00 0.00 C ATOM 332 O ALA A 22 44.395 -6.722 4.837 1.00 0.00 O ATOM 333 CB ALA A 22 42.368 -8.718 6.572 1.00 0.00 C ATOM 0 H ALA A 22 45.290 -9.272 7.261 1.00 0.00 H new ATOM 0 HA ALA A 22 43.656 -9.110 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.710 -8.048 6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.931 -9.716 6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 22 42.489 -8.349 7.590 1.00 0.00 H new ATOM 339 N ASN A 23 44.899 -6.947 6.970 1.00 0.00 N ATOM 340 CA ASN A 23 45.543 -5.597 7.026 1.00 0.00 C ATOM 341 C ASN A 23 46.700 -5.492 6.048 1.00 0.00 C ATOM 342 O ASN A 23 46.732 -4.631 5.193 1.00 0.00 O ATOM 343 CB ASN A 23 46.097 -5.465 8.436 1.00 0.00 C ATOM 344 CG ASN A 23 45.064 -4.791 9.341 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.459 -3.807 8.962 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.833 -5.283 10.527 1.00 0.00 N ATOM 0 H ASN A 23 44.909 -7.466 7.848 1.00 0.00 H new ATOM 0 HA ASN A 23 44.820 -4.822 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.351 -6.449 8.830 1.00 0.00 H new ATOM 0 HB3 ASN A 23 47.017 -4.880 8.421 1.00 0.00 H new ATOM 0 HD21 ASN A 23 44.144 -4.842 11.137 1.00 0.00 H new ATOM 0 HD22 ASN A 23 45.341 -6.109 10.844 1.00 0.00 H new ATOM 353 N ASP A 24 47.675 -6.342 6.215 1.00 0.00 N ATOM 354 CA ASP A 24 48.894 -6.299 5.352 1.00 0.00 C ATOM 355 C ASP A 24 48.547 -6.137 3.863 1.00 0.00 C ATOM 356 O ASP A 24 47.612 -6.736 3.364 1.00 0.00 O ATOM 357 CB ASP A 24 49.602 -7.633 5.594 1.00 0.00 C ATOM 358 CG ASP A 24 50.001 -7.738 7.066 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.487 -6.755 7.600 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.812 -8.801 7.636 1.00 0.00 O ATOM 0 H ASP A 24 47.681 -7.076 6.923 1.00 0.00 H new ATOM 0 HA ASP A 24 49.518 -5.441 5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.945 -8.460 5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.486 -7.708 4.960 1.00 0.00 H new ATOM 365 N LEU A 25 49.300 -5.329 3.157 1.00 0.00 N ATOM 366 CA LEU A 25 49.030 -5.119 1.706 1.00 0.00 C ATOM 367 C LEU A 25 49.826 -6.136 0.885 1.00 0.00 C ATOM 368 O LEU A 25 51.007 -6.327 1.098 1.00 0.00 O ATOM 369 CB LEU A 25 49.503 -3.688 1.413 1.00 0.00 C ATOM 370 CG LEU A 25 48.997 -3.256 0.029 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.467 -3.179 0.038 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.570 -1.878 -0.325 1.00 0.00 C ATOM 0 H LEU A 25 50.093 -4.805 3.528 1.00 0.00 H new ATOM 0 HA LEU A 25 47.979 -5.251 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.130 -3.006 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.591 -3.639 1.446 1.00 0.00 H new ATOM 0 HG LEU A 25 49.321 -3.987 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.112 -2.872 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 25 47.055 -4.158 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.144 -2.452 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.209 -1.575 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.251 -1.149 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.659 -1.929 -0.339 1.00 0.00 H new ATOM 384 N GLN A 26 49.183 -6.801 -0.040 1.00 0.00 N ATOM 385 CA GLN A 26 49.899 -7.820 -0.870 1.00 0.00 C ATOM 386 C GLN A 26 51.005 -7.158 -1.694 1.00 0.00 C ATOM 387 O GLN A 26 50.756 -6.622 -2.758 1.00 0.00 O ATOM 388 CB GLN A 26 48.830 -8.415 -1.790 1.00 0.00 C ATOM 389 CG GLN A 26 49.399 -9.637 -2.513 1.00 0.00 C ATOM 390 CD GLN A 26 48.256 -10.570 -2.916 1.00 0.00 C ATOM 391 OE1 GLN A 26 48.073 -11.616 -2.325 1.00 0.00 O ATOM 392 NE2 GLN A 26 47.475 -10.234 -3.906 1.00 0.00 N ATOM 0 H GLN A 26 48.193 -6.684 -0.258 1.00 0.00 H new ATOM 0 HA GLN A 26 50.376 -8.583 -0.255 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.953 -8.699 -1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.504 -7.670 -2.515 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.955 -9.324 -3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 26 50.100 -10.163 -1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 26 47.629 -9.356 -4.402 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.711 -10.849 -4.184 1.00 0.00 H new ATOM 401 N LEU A 27 52.224 -7.194 -1.213 1.00 0.00 N ATOM 402 CA LEU A 27 53.346 -6.569 -1.972 1.00 0.00 C ATOM 403 C LEU A 27 53.973 -7.591 -2.930 1.00 0.00 C ATOM 404 O LEU A 27 53.495 -8.700 -3.072 1.00 0.00 O ATOM 405 CB LEU A 27 54.360 -6.119 -0.913 1.00 0.00 C ATOM 406 CG LEU A 27 53.966 -4.740 -0.367 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.333 -4.897 1.026 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.213 -3.852 -0.268 1.00 0.00 C ATOM 0 H LEU A 27 52.488 -7.629 -0.329 1.00 0.00 H new ATOM 0 HA LEU A 27 53.009 -5.730 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.397 -6.845 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.359 -6.076 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 27 53.245 -4.278 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 27 53.054 -3.916 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.445 -5.524 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 27 54.051 -5.362 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.932 -2.873 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.937 -4.314 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.657 -3.737 -1.257 1.00 0.00 H new ATOM 420 N ARG A 28 55.036 -7.214 -3.597 1.00 0.00 N ATOM 421 CA ARG A 28 55.720 -8.135 -4.568 1.00 0.00 C ATOM 422 C ARG A 28 56.934 -7.422 -5.171 1.00 0.00 C ATOM 423 O ARG A 28 56.839 -6.294 -5.607 1.00 0.00 O ATOM 424 CB ARG A 28 54.691 -8.434 -5.668 1.00 0.00 C ATOM 425 CG ARG A 28 54.874 -9.871 -6.161 1.00 0.00 C ATOM 426 CD ARG A 28 54.391 -9.980 -7.609 1.00 0.00 C ATOM 427 NE ARG A 28 55.131 -11.141 -8.176 1.00 0.00 N ATOM 428 CZ ARG A 28 54.652 -11.779 -9.208 1.00 0.00 C ATOM 429 NH1 ARG A 28 54.305 -11.119 -10.280 1.00 0.00 N ATOM 430 NH2 ARG A 28 54.518 -13.076 -9.170 1.00 0.00 N ATOM 0 H ARG A 28 55.468 -6.294 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 28 56.065 -9.051 -4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.681 -8.296 -5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 28 54.814 -7.736 -6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.923 -10.159 -6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.314 -10.558 -5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 28 53.314 -10.138 -7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 28 54.603 -9.067 -8.165 1.00 0.00 H new ATOM 0 HE ARG A 28 56.013 -11.437 -7.757 1.00 0.00 H new ATOM 0 HH11 ARG A 28 54.409 -10.105 -10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 28 53.930 -11.618 -11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 28 54.788 -13.592 -8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 28 54.143 -13.574 -9.978 1.00 0.00 H new ATOM 444 N LYS A 29 58.074 -8.067 -5.199 1.00 0.00 N ATOM 445 CA LYS A 29 59.304 -7.421 -5.767 1.00 0.00 C ATOM 446 C LYS A 29 59.051 -6.896 -7.184 1.00 0.00 C ATOM 447 O LYS A 29 58.523 -7.591 -8.031 1.00 0.00 O ATOM 448 CB LYS A 29 60.367 -8.520 -5.786 1.00 0.00 C ATOM 449 CG LYS A 29 61.705 -7.932 -6.236 1.00 0.00 C ATOM 450 CD LYS A 29 62.522 -9.009 -6.951 1.00 0.00 C ATOM 451 CE LYS A 29 63.467 -8.349 -7.959 1.00 0.00 C ATOM 452 NZ LYS A 29 63.800 -9.426 -8.933 1.00 0.00 N ATOM 0 H LYS A 29 58.209 -9.017 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 29 59.612 -6.562 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.467 -8.960 -4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 29 60.065 -9.321 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.537 -7.086 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.256 -7.554 -5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 29 63.094 -9.588 -6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.857 -9.705 -7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 29 62.989 -7.503 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 29 64.363 -7.968 -7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 64.445 -9.051 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 64.259 -10.215 -8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 62.928 -9.764 -9.388 1.00 0.00 H new ATOM 466 N GLY A 30 59.427 -5.667 -7.436 1.00 0.00 N ATOM 467 CA GLY A 30 59.218 -5.073 -8.789 1.00 0.00 C ATOM 468 C GLY A 30 57.921 -4.259 -8.801 1.00 0.00 C ATOM 469 O GLY A 30 57.770 -3.337 -9.580 1.00 0.00 O ATOM 0 H GLY A 30 59.872 -5.048 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.062 -4.434 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.170 -5.862 -9.540 1.00 0.00 H new ATOM 473 N ASP A 31 56.986 -4.594 -7.945 1.00 0.00 N ATOM 474 CA ASP A 31 55.701 -3.844 -7.908 1.00 0.00 C ATOM 475 C ASP A 31 55.837 -2.610 -7.013 1.00 0.00 C ATOM 476 O ASP A 31 56.431 -2.662 -5.954 1.00 0.00 O ATOM 477 CB ASP A 31 54.682 -4.824 -7.326 1.00 0.00 C ATOM 478 CG ASP A 31 54.472 -5.983 -8.302 1.00 0.00 C ATOM 479 OD1 ASP A 31 55.416 -6.725 -8.521 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.372 -6.108 -8.814 1.00 0.00 O ATOM 0 H ASP A 31 57.062 -5.356 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 31 55.401 -3.489 -8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.033 -5.202 -6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 31 53.736 -4.315 -7.141 1.00 0.00 H new ATOM 485 N GLU A 32 55.287 -1.501 -7.435 1.00 0.00 N ATOM 486 CA GLU A 32 55.378 -0.252 -6.614 1.00 0.00 C ATOM 487 C GLU A 32 53.967 0.123 -6.149 1.00 0.00 C ATOM 488 O GLU A 32 52.990 -0.327 -6.720 1.00 0.00 O ATOM 489 CB GLU A 32 55.973 0.843 -7.530 1.00 0.00 C ATOM 490 CG GLU A 32 56.968 0.259 -8.554 1.00 0.00 C ATOM 491 CD GLU A 32 56.227 -0.139 -9.837 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.038 -0.403 -9.760 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.865 -0.172 -10.876 1.00 0.00 O ATOM 0 H GLU A 32 54.778 -1.404 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 32 56.007 -0.377 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.167 1.353 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.478 1.592 -6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.740 0.994 -8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.471 -0.610 -8.130 1.00 0.00 H new ATOM 500 N TYR A 33 53.840 0.892 -5.091 1.00 0.00 N ATOM 501 CA TYR A 33 52.474 1.222 -4.577 1.00 0.00 C ATOM 502 C TYR A 33 52.275 2.724 -4.373 1.00 0.00 C ATOM 503 O TYR A 33 53.096 3.542 -4.744 1.00 0.00 O ATOM 504 CB TYR A 33 52.374 0.513 -3.219 1.00 0.00 C ATOM 505 CG TYR A 33 52.954 -0.882 -3.306 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.246 -1.893 -3.959 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.214 -1.144 -2.759 1.00 0.00 C ATOM 508 CE1 TYR A 33 52.800 -3.170 -4.069 1.00 0.00 C ATOM 509 CE2 TYR A 33 54.766 -2.422 -2.864 1.00 0.00 C ATOM 510 CZ TYR A 33 54.059 -3.435 -3.520 1.00 0.00 C ATOM 511 OH TYR A 33 54.608 -4.689 -3.639 1.00 0.00 O ATOM 0 H TYR A 33 54.615 1.300 -4.568 1.00 0.00 H new ATOM 0 HA TYR A 33 51.714 0.904 -5.291 1.00 0.00 H new ATOM 0 HB2 TYR A 33 52.907 1.088 -2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.331 0.461 -2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.272 -1.688 -4.378 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.759 -0.359 -2.256 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.257 -3.953 -4.578 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.737 -2.628 -2.439 1.00 0.00 H new ATOM 0 HH TYR A 33 54.242 -5.133 -4.432 1.00 0.00 H new ATOM 521 N PHE A 34 51.172 3.071 -3.764 1.00 0.00 N ATOM 522 CA PHE A 34 50.850 4.504 -3.490 1.00 0.00 C ATOM 523 C PHE A 34 50.885 4.762 -1.983 1.00 0.00 C ATOM 524 O PHE A 34 50.286 4.037 -1.217 1.00 0.00 O ATOM 525 CB PHE A 34 49.433 4.692 -4.025 1.00 0.00 C ATOM 526 CG PHE A 34 49.493 5.150 -5.462 1.00 0.00 C ATOM 527 CD1 PHE A 34 49.925 6.446 -5.766 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.120 4.277 -6.491 1.00 0.00 C ATOM 529 CE1 PHE A 34 49.983 6.870 -7.100 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.178 4.700 -7.825 1.00 0.00 C ATOM 531 CZ PHE A 34 49.611 5.997 -8.129 1.00 0.00 C ATOM 0 H PHE A 34 50.467 2.409 -3.439 1.00 0.00 H new ATOM 0 HA PHE A 34 51.559 5.190 -3.954 1.00 0.00 H new ATOM 0 HB2 PHE A 34 48.879 3.756 -3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 34 48.899 5.425 -3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.214 7.119 -4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 34 48.787 3.277 -6.256 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.315 7.871 -7.335 1.00 0.00 H new ATOM 0 HE2 PHE A 34 48.889 4.027 -8.619 1.00 0.00 H new ATOM 0 HZ PHE A 34 49.658 6.323 -9.157 1.00 0.00 H new ATOM 541 N ILE A 35 51.590 5.777 -1.555 1.00 0.00 N ATOM 542 CA ILE A 35 51.682 6.061 -0.088 1.00 0.00 C ATOM 543 C ILE A 35 50.687 7.138 0.354 1.00 0.00 C ATOM 544 O ILE A 35 50.638 8.226 -0.187 1.00 0.00 O ATOM 545 CB ILE A 35 53.119 6.546 0.136 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.114 5.475 -0.331 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.349 6.849 1.622 1.00 0.00 C ATOM 548 CD1 ILE A 35 53.924 4.180 0.467 1.00 0.00 C ATOM 0 H ILE A 35 52.106 6.421 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 35 51.440 5.173 0.496 1.00 0.00 H new ATOM 0 HB ILE A 35 53.274 7.457 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 35 53.973 5.278 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.134 5.839 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.373 7.193 1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.656 7.625 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.182 5.945 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.638 3.432 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.089 4.378 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 35 52.910 3.808 0.321 1.00 0.00 H new ATOM 560 N LEU A 36 49.926 6.836 1.371 1.00 0.00 N ATOM 561 CA LEU A 36 48.952 7.819 1.922 1.00 0.00 C ATOM 562 C LEU A 36 49.455 8.289 3.292 1.00 0.00 C ATOM 563 O LEU A 36 49.266 9.422 3.687 1.00 0.00 O ATOM 564 CB LEU A 36 47.640 7.046 2.062 1.00 0.00 C ATOM 565 CG LEU A 36 47.093 6.702 0.673 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.515 5.280 0.294 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.565 6.789 0.689 1.00 0.00 C ATOM 0 H LEU A 36 49.939 5.936 1.850 1.00 0.00 H new ATOM 0 HA LEU A 36 48.825 8.699 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 36 47.804 6.133 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 36 46.912 7.642 2.613 1.00 0.00 H new ATOM 0 HG LEU A 36 47.491 7.407 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.125 5.036 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.603 5.214 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.117 4.576 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.176 6.544 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.168 6.084 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.261 7.801 0.958 1.00 0.00 H new ATOM 579 N GLU A 37 50.109 7.409 4.007 1.00 0.00 N ATOM 580 CA GLU A 37 50.658 7.751 5.350 1.00 0.00 C ATOM 581 C GLU A 37 51.598 6.624 5.789 1.00 0.00 C ATOM 582 O GLU A 37 51.297 5.459 5.604 1.00 0.00 O ATOM 583 CB GLU A 37 49.442 7.839 6.276 1.00 0.00 C ATOM 584 CG GLU A 37 49.164 9.303 6.628 1.00 0.00 C ATOM 585 CD GLU A 37 47.654 9.522 6.751 1.00 0.00 C ATOM 586 OE1 GLU A 37 47.054 8.902 7.615 1.00 0.00 O ATOM 587 OE2 GLU A 37 47.124 10.306 5.981 1.00 0.00 O ATOM 0 H GLU A 37 50.288 6.450 3.709 1.00 0.00 H new ATOM 0 HA GLU A 37 51.222 8.684 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 37 48.571 7.400 5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.623 7.265 7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 37 49.657 9.563 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.575 9.957 5.859 1.00 0.00 H new ATOM 594 N GLU A 38 52.737 6.950 6.355 1.00 0.00 N ATOM 595 CA GLU A 38 53.689 5.873 6.782 1.00 0.00 C ATOM 596 C GLU A 38 53.462 5.463 8.239 1.00 0.00 C ATOM 597 O GLU A 38 54.320 4.875 8.866 1.00 0.00 O ATOM 598 CB GLU A 38 55.089 6.468 6.590 1.00 0.00 C ATOM 599 CG GLU A 38 55.256 7.722 7.465 1.00 0.00 C ATOM 600 CD GLU A 38 55.688 8.909 6.599 1.00 0.00 C ATOM 601 OE1 GLU A 38 54.881 9.360 5.803 1.00 0.00 O ATOM 602 OE2 GLU A 38 56.817 9.346 6.749 1.00 0.00 O ATOM 0 H GLU A 38 53.047 7.904 6.538 1.00 0.00 H new ATOM 0 HA GLU A 38 53.548 4.965 6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.846 5.729 6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 38 55.243 6.724 5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 38 54.317 7.951 7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 38 55.999 7.538 8.241 1.00 0.00 H new ATOM 609 N SER A 39 52.303 5.748 8.764 1.00 0.00 N ATOM 610 CA SER A 39 51.962 5.369 10.176 1.00 0.00 C ATOM 611 C SER A 39 53.113 5.667 11.163 1.00 0.00 C ATOM 612 O SER A 39 53.214 5.055 12.207 1.00 0.00 O ATOM 613 CB SER A 39 51.690 3.869 10.103 1.00 0.00 C ATOM 614 OG SER A 39 50.492 3.646 9.370 1.00 0.00 O ATOM 0 H SER A 39 51.558 6.238 8.268 1.00 0.00 H new ATOM 0 HA SER A 39 51.114 5.943 10.549 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.525 3.359 9.622 1.00 0.00 H new ATOM 0 HB3 SER A 39 51.599 3.455 11.107 1.00 0.00 H new ATOM 0 HG SER A 39 50.314 2.684 9.319 1.00 0.00 H new ATOM 620 N ASN A 40 53.963 6.614 10.845 1.00 0.00 N ATOM 621 CA ASN A 40 55.098 6.972 11.761 1.00 0.00 C ATOM 622 C ASN A 40 55.927 5.738 12.163 1.00 0.00 C ATOM 623 O ASN A 40 56.383 5.639 13.287 1.00 0.00 O ATOM 624 CB ASN A 40 54.437 7.593 12.995 1.00 0.00 C ATOM 625 CG ASN A 40 55.417 8.555 13.670 1.00 0.00 C ATOM 626 OD1 ASN A 40 55.821 9.540 13.084 1.00 0.00 O ATOM 627 ND2 ASN A 40 55.820 8.309 14.887 1.00 0.00 N ATOM 0 H ASN A 40 53.921 7.160 9.984 1.00 0.00 H new ATOM 0 HA ASN A 40 55.794 7.652 11.271 1.00 0.00 H new ATOM 0 HB2 ASN A 40 53.530 8.124 12.706 1.00 0.00 H new ATOM 0 HB3 ASN A 40 54.139 6.811 13.693 1.00 0.00 H new ATOM 0 HD21 ASN A 40 56.474 8.943 15.346 1.00 0.00 H new ATOM 0 HD22 ASN A 40 55.481 7.482 15.379 1.00 0.00 H new ATOM 634 N LEU A 41 56.146 4.813 11.257 1.00 0.00 N ATOM 635 CA LEU A 41 56.969 3.605 11.597 1.00 0.00 C ATOM 636 C LEU A 41 57.364 2.849 10.298 1.00 0.00 C ATOM 637 O LEU A 41 57.079 3.333 9.220 1.00 0.00 O ATOM 638 CB LEU A 41 56.093 2.784 12.586 1.00 0.00 C ATOM 639 CG LEU A 41 55.150 1.786 11.886 1.00 0.00 C ATOM 640 CD1 LEU A 41 54.935 0.574 12.793 1.00 0.00 C ATOM 641 CD2 LEU A 41 53.806 2.457 11.628 1.00 0.00 C ATOM 0 H LEU A 41 55.792 4.841 10.301 1.00 0.00 H new ATOM 0 HA LEU A 41 57.922 3.838 12.071 1.00 0.00 H new ATOM 0 HB2 LEU A 41 56.744 2.239 13.270 1.00 0.00 H new ATOM 0 HB3 LEU A 41 55.500 3.470 13.190 1.00 0.00 H new ATOM 0 HG LEU A 41 55.592 1.469 10.941 1.00 0.00 H new ATOM 0 HD11 LEU A 41 54.268 -0.135 12.301 1.00 0.00 H new ATOM 0 HD12 LEU A 41 55.893 0.093 12.991 1.00 0.00 H new ATOM 0 HD13 LEU A 41 54.490 0.898 13.734 1.00 0.00 H new ATOM 0 HD21 LEU A 41 53.137 1.753 11.133 1.00 0.00 H new ATOM 0 HD22 LEU A 41 53.367 2.769 12.576 1.00 0.00 H new ATOM 0 HD23 LEU A 41 53.951 3.329 10.991 1.00 0.00 H new ATOM 653 N PRO A 42 58.021 1.698 10.413 1.00 0.00 N ATOM 654 CA PRO A 42 58.437 0.951 9.196 1.00 0.00 C ATOM 655 C PRO A 42 57.219 0.503 8.377 1.00 0.00 C ATOM 656 O PRO A 42 57.198 0.635 7.168 1.00 0.00 O ATOM 657 CB PRO A 42 59.200 -0.247 9.770 1.00 0.00 C ATOM 658 CG PRO A 42 59.204 -0.142 11.307 1.00 0.00 C ATOM 659 CD PRO A 42 58.379 1.082 11.722 1.00 0.00 C ATOM 0 HA PRO A 42 59.037 1.547 8.509 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.730 -1.179 9.457 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.221 -0.261 9.390 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.785 -1.046 11.748 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.226 -0.051 11.676 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.494 0.799 12.291 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.955 1.765 12.347 1.00 0.00 H new ATOM 667 N TRP A 43 56.208 -0.015 9.026 1.00 0.00 N ATOM 668 CA TRP A 43 54.987 -0.464 8.286 1.00 0.00 C ATOM 669 C TRP A 43 54.143 0.765 7.936 1.00 0.00 C ATOM 670 O TRP A 43 53.869 1.588 8.791 1.00 0.00 O ATOM 671 CB TRP A 43 54.232 -1.365 9.269 1.00 0.00 C ATOM 672 CG TRP A 43 55.097 -2.504 9.697 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.813 -2.519 10.831 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.342 -3.779 9.036 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.493 -3.720 10.922 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.234 -4.532 9.836 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.887 -4.350 7.835 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.657 -5.807 9.459 1.00 0.00 C ATOM 679 CZ3 TRP A 43 55.310 -5.630 7.453 1.00 0.00 C ATOM 680 CH2 TRP A 43 56.194 -6.358 8.262 1.00 0.00 C ATOM 0 H TRP A 43 56.174 -0.147 10.037 1.00 0.00 H new ATOM 0 HA TRP A 43 55.220 -0.989 7.360 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.924 -0.786 10.140 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.324 -1.745 8.801 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.852 -1.721 11.557 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.109 -3.974 11.695 1.00 0.00 H new ATOM 0 HE3 TRP A 43 54.207 -3.799 7.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.337 -6.363 10.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.952 -6.059 6.529 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.516 -7.343 7.960 1.00 0.00 H new ATOM 691 N TRP A 44 53.744 0.918 6.692 1.00 0.00 N ATOM 692 CA TRP A 44 52.942 2.119 6.318 1.00 0.00 C ATOM 693 C TRP A 44 51.483 1.741 6.064 1.00 0.00 C ATOM 694 O TRP A 44 51.025 0.688 6.447 1.00 0.00 O ATOM 695 CB TRP A 44 53.572 2.619 5.015 1.00 0.00 C ATOM 696 CG TRP A 44 55.030 2.914 5.175 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.676 3.216 6.329 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.027 2.947 4.127 1.00 0.00 C ATOM 699 NE1 TRP A 44 57.017 3.424 6.042 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.278 3.270 4.691 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.951 2.724 2.747 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.426 3.369 3.902 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.092 2.822 1.947 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.333 3.144 2.522 1.00 0.00 C ATOM 0 H TRP A 44 53.939 0.268 5.931 1.00 0.00 H new ATOM 0 HA TRP A 44 52.948 2.869 7.109 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.437 1.869 4.236 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.054 3.519 4.684 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.222 3.283 7.307 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.723 3.661 6.739 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.002 2.474 2.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.376 3.617 4.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.020 2.650 0.883 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.214 3.218 1.901 1.00 0.00 H new ATOM 715 N ARG A 45 50.767 2.600 5.390 1.00 0.00 N ATOM 716 CA ARG A 45 49.348 2.323 5.048 1.00 0.00 C ATOM 717 C ARG A 45 49.143 2.769 3.600 1.00 0.00 C ATOM 718 O ARG A 45 48.457 3.735 3.321 1.00 0.00 O ATOM 719 CB ARG A 45 48.520 3.176 6.012 1.00 0.00 C ATOM 720 CG ARG A 45 47.934 2.287 7.112 1.00 0.00 C ATOM 721 CD ARG A 45 46.867 3.066 7.884 1.00 0.00 C ATOM 722 NE ARG A 45 45.940 2.027 8.411 1.00 0.00 N ATOM 723 CZ ARG A 45 45.223 2.270 9.474 1.00 0.00 C ATOM 724 NH1 ARG A 45 44.391 3.276 9.484 1.00 0.00 N ATOM 725 NH2 ARG A 45 45.339 1.508 10.527 1.00 0.00 N ATOM 0 H ARG A 45 51.116 3.499 5.057 1.00 0.00 H new ATOM 0 HA ARG A 45 49.064 1.274 5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 45 49.144 3.954 6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 45 47.718 3.679 5.471 1.00 0.00 H new ATOM 0 HG2 ARG A 45 47.498 1.389 6.675 1.00 0.00 H new ATOM 0 HG3 ARG A 45 48.723 1.961 7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 45 47.310 3.647 8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.345 3.769 7.235 1.00 0.00 H new ATOM 0 HE ARG A 45 45.865 1.125 7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.301 3.872 8.661 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.831 3.466 10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 45 45.990 0.723 10.519 1.00 0.00 H new ATOM 0 HH22 ARG A 45 44.779 1.698 11.358 1.00 0.00 H new ATOM 739 N ALA A 46 49.779 2.088 2.684 1.00 0.00 N ATOM 740 CA ALA A 46 49.691 2.470 1.244 1.00 0.00 C ATOM 741 C ALA A 46 48.798 1.489 0.482 1.00 0.00 C ATOM 742 O ALA A 46 48.525 0.399 0.951 1.00 0.00 O ATOM 743 CB ALA A 46 51.140 2.378 0.750 1.00 0.00 C ATOM 0 H ALA A 46 50.363 1.274 2.875 1.00 0.00 H new ATOM 0 HA ALA A 46 49.257 3.459 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.182 2.642 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.763 3.066 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.506 1.360 0.884 1.00 0.00 H new ATOM 749 N ARG A 47 48.349 1.863 -0.691 1.00 0.00 N ATOM 750 CA ARG A 47 47.481 0.943 -1.482 1.00 0.00 C ATOM 751 C ARG A 47 48.230 0.450 -2.716 1.00 0.00 C ATOM 752 O ARG A 47 49.205 1.042 -3.137 1.00 0.00 O ATOM 753 CB ARG A 47 46.269 1.768 -1.899 1.00 0.00 C ATOM 754 CG ARG A 47 45.413 2.076 -0.672 1.00 0.00 C ATOM 755 CD ARG A 47 44.749 3.445 -0.843 1.00 0.00 C ATOM 756 NE ARG A 47 44.155 3.754 0.487 1.00 0.00 N ATOM 757 CZ ARG A 47 42.913 4.146 0.571 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.596 5.375 0.265 1.00 0.00 N ATOM 759 NH2 ARG A 47 41.990 3.311 0.961 1.00 0.00 N ATOM 0 H ARG A 47 48.546 2.762 -1.131 1.00 0.00 H new ATOM 0 HA ARG A 47 47.190 0.067 -0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.593 2.695 -2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.681 1.222 -2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.653 1.305 -0.543 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.030 2.069 0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.476 4.202 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 47 43.985 3.419 -1.620 1.00 0.00 H new ATOM 0 HE ARG A 47 44.718 3.659 1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.319 6.027 -0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.626 5.683 0.330 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.239 2.351 1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.019 3.618 1.027 1.00 0.00 H new ATOM 773 N ASP A 48 47.781 -0.630 -3.293 1.00 0.00 N ATOM 774 CA ASP A 48 48.462 -1.176 -4.498 1.00 0.00 C ATOM 775 C ASP A 48 47.740 -0.726 -5.775 1.00 0.00 C ATOM 776 O ASP A 48 47.039 0.268 -5.783 1.00 0.00 O ATOM 777 CB ASP A 48 48.394 -2.699 -4.322 1.00 0.00 C ATOM 778 CG ASP A 48 46.937 -3.184 -4.328 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.057 -2.384 -4.053 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.727 -4.352 -4.611 1.00 0.00 O ATOM 0 H ASP A 48 46.968 -1.160 -2.979 1.00 0.00 H new ATOM 0 HA ASP A 48 49.489 -0.825 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 48 48.948 -3.187 -5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 48 48.873 -2.983 -3.385 1.00 0.00 H new ATOM 785 N LYS A 49 47.913 -1.452 -6.851 1.00 0.00 N ATOM 786 CA LYS A 49 47.244 -1.072 -8.134 1.00 0.00 C ATOM 787 C LYS A 49 45.882 -1.766 -8.268 1.00 0.00 C ATOM 788 O LYS A 49 45.331 -1.852 -9.350 1.00 0.00 O ATOM 789 CB LYS A 49 48.198 -1.550 -9.229 1.00 0.00 C ATOM 790 CG LYS A 49 49.264 -0.479 -9.488 1.00 0.00 C ATOM 791 CD LYS A 49 49.528 -0.362 -10.995 1.00 0.00 C ATOM 792 CE LYS A 49 49.662 1.114 -11.379 1.00 0.00 C ATOM 793 NZ LYS A 49 51.122 1.401 -11.301 1.00 0.00 N ATOM 0 H LYS A 49 48.489 -2.292 -6.897 1.00 0.00 H new ATOM 0 HA LYS A 49 47.051 -0.001 -8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.673 -2.484 -8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.643 -1.754 -10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 49 48.932 0.481 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.186 -0.737 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.438 -0.901 -11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 49 48.713 -0.821 -11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 49 49.277 1.298 -12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 49 49.097 1.752 -10.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 51.294 2.396 -11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 51.459 1.224 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 51.633 0.784 -11.964 1.00 0.00 H new ATOM 807 N ASN A 50 45.335 -2.258 -7.183 1.00 0.00 N ATOM 808 CA ASN A 50 44.014 -2.938 -7.247 1.00 0.00 C ATOM 809 C ASN A 50 42.923 -2.035 -6.662 1.00 0.00 C ATOM 810 O ASN A 50 41.766 -2.134 -7.022 1.00 0.00 O ATOM 811 CB ASN A 50 44.176 -4.201 -6.402 1.00 0.00 C ATOM 812 CG ASN A 50 45.087 -5.191 -7.131 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.989 -4.794 -7.840 1.00 0.00 O ATOM 814 ND2 ASN A 50 44.887 -6.473 -6.986 1.00 0.00 N ATOM 0 H ASN A 50 45.753 -2.215 -6.254 1.00 0.00 H new ATOM 0 HA ASN A 50 43.718 -3.168 -8.271 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.600 -3.949 -5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.202 -4.655 -6.217 1.00 0.00 H new ATOM 0 HD21 ASN A 50 45.489 -7.141 -7.468 1.00 0.00 H new ATOM 0 HD22 ASN A 50 44.129 -6.807 -6.390 1.00 0.00 H new ATOM 821 N GLY A 51 43.289 -1.159 -5.762 1.00 0.00 N ATOM 822 CA GLY A 51 42.283 -0.245 -5.143 1.00 0.00 C ATOM 823 C GLY A 51 42.075 -0.633 -3.678 1.00 0.00 C ATOM 824 O GLY A 51 41.017 -0.422 -3.117 1.00 0.00 O ATOM 0 H GLY A 51 44.245 -1.037 -5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 51 42.624 0.788 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.339 -0.306 -5.684 1.00 0.00 H new ATOM 828 N GLN A 52 43.078 -1.205 -3.057 1.00 0.00 N ATOM 829 CA GLN A 52 42.949 -1.614 -1.630 1.00 0.00 C ATOM 830 C GLN A 52 44.154 -1.120 -0.825 1.00 0.00 C ATOM 831 O GLN A 52 45.258 -1.032 -1.333 1.00 0.00 O ATOM 832 CB GLN A 52 42.919 -3.140 -1.667 1.00 0.00 C ATOM 833 CG GLN A 52 41.473 -3.623 -1.794 1.00 0.00 C ATOM 834 CD GLN A 52 40.873 -3.813 -0.399 1.00 0.00 C ATOM 835 OE1 GLN A 52 40.837 -4.915 0.113 1.00 0.00 O ATOM 836 NE2 GLN A 52 40.399 -2.780 0.241 1.00 0.00 N ATOM 0 H GLN A 52 43.983 -1.406 -3.482 1.00 0.00 H new ATOM 0 HA GLN A 52 42.061 -1.196 -1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.510 -3.505 -2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.370 -3.545 -0.761 1.00 0.00 H new ATOM 0 HG2 GLN A 52 40.885 -2.899 -2.359 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.439 -4.562 -2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.429 -1.856 -0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 52 39.998 -2.897 1.172 1.00 0.00 H new ATOM 845 N GLU A 53 43.948 -0.800 0.427 1.00 0.00 N ATOM 846 CA GLU A 53 45.073 -0.312 1.279 1.00 0.00 C ATOM 847 C GLU A 53 45.516 -1.414 2.241 1.00 0.00 C ATOM 848 O GLU A 53 44.754 -2.306 2.567 1.00 0.00 O ATOM 849 CB GLU A 53 44.499 0.874 2.055 1.00 0.00 C ATOM 850 CG GLU A 53 45.617 1.557 2.845 1.00 0.00 C ATOM 851 CD GLU A 53 45.047 2.758 3.601 1.00 0.00 C ATOM 852 OE1 GLU A 53 44.911 3.806 2.992 1.00 0.00 O ATOM 853 OE2 GLU A 53 44.757 2.611 4.777 1.00 0.00 O ATOM 0 H GLU A 53 43.045 -0.856 0.897 1.00 0.00 H new ATOM 0 HA GLU A 53 45.945 -0.029 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 53 44.039 1.584 1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 53 43.716 0.534 2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 53 46.065 0.852 3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 53 46.408 1.881 2.169 1.00 0.00 H new ATOM 860 N GLY A 54 46.740 -1.358 2.703 1.00 0.00 N ATOM 861 CA GLY A 54 47.233 -2.399 3.653 1.00 0.00 C ATOM 862 C GLY A 54 48.523 -1.902 4.295 1.00 0.00 C ATOM 863 O GLY A 54 48.795 -0.719 4.293 1.00 0.00 O ATOM 0 H GLY A 54 47.419 -0.636 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.483 -2.598 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.410 -3.337 3.127 1.00 0.00 H new ATOM 867 N TYR A 55 49.320 -2.783 4.853 1.00 0.00 N ATOM 868 CA TYR A 55 50.581 -2.318 5.501 1.00 0.00 C ATOM 869 C TYR A 55 51.817 -2.631 4.647 1.00 0.00 C ATOM 870 O TYR A 55 51.914 -3.662 4.014 1.00 0.00 O ATOM 871 CB TYR A 55 50.647 -3.043 6.845 1.00 0.00 C ATOM 872 CG TYR A 55 49.586 -2.489 7.766 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.239 -2.805 7.552 1.00 0.00 C ATOM 874 CD2 TYR A 55 49.949 -1.661 8.835 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.255 -2.291 8.405 1.00 0.00 C ATOM 876 CE2 TYR A 55 48.965 -1.148 9.688 1.00 0.00 C ATOM 877 CZ TYR A 55 47.618 -1.463 9.473 1.00 0.00 C ATOM 878 OH TYR A 55 46.648 -0.956 10.314 1.00 0.00 O ATOM 0 H TYR A 55 49.153 -3.789 4.886 1.00 0.00 H new ATOM 0 HA TYR A 55 50.577 -1.235 5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.497 -4.113 6.701 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.634 -2.917 7.291 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.959 -3.445 6.729 1.00 0.00 H new ATOM 0 HD2 TYR A 55 50.988 -1.418 9.001 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.216 -2.534 8.239 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.245 -0.509 10.512 1.00 0.00 H new ATOM 0 HH TYR A 55 47.025 -0.829 11.210 1.00 0.00 H new ATOM 888 N ILE A 56 52.757 -1.715 4.634 1.00 0.00 N ATOM 889 CA ILE A 56 54.008 -1.887 3.826 1.00 0.00 C ATOM 890 C ILE A 56 55.264 -1.793 4.722 1.00 0.00 C ATOM 891 O ILE A 56 55.549 -0.723 5.222 1.00 0.00 O ATOM 892 CB ILE A 56 53.995 -0.674 2.877 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.745 -0.680 1.993 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.236 -0.676 1.987 1.00 0.00 C ATOM 895 CD1 ILE A 56 52.593 -2.037 1.323 1.00 0.00 C ATOM 0 H ILE A 56 52.709 -0.841 5.158 1.00 0.00 H new ATOM 0 HA ILE A 56 54.038 -2.853 3.322 1.00 0.00 H new ATOM 0 HB ILE A 56 53.990 0.225 3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 56 51.863 -0.460 2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.819 0.102 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 56 55.209 0.188 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 56 56.130 -0.628 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.256 -1.589 1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 56 51.702 -2.035 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 56 53.470 -2.239 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 56 52.498 -2.811 2.085 1.00 0.00 H new ATOM 907 N PRO A 57 56.015 -2.876 4.879 1.00 0.00 N ATOM 908 CA PRO A 57 57.255 -2.802 5.697 1.00 0.00 C ATOM 909 C PRO A 57 58.217 -1.776 5.070 1.00 0.00 C ATOM 910 O PRO A 57 58.342 -1.694 3.863 1.00 0.00 O ATOM 911 CB PRO A 57 57.810 -4.225 5.606 1.00 0.00 C ATOM 912 CG PRO A 57 56.865 -5.071 4.728 1.00 0.00 C ATOM 913 CD PRO A 57 55.687 -4.198 4.282 1.00 0.00 C ATOM 0 HA PRO A 57 57.099 -2.484 6.728 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.813 -4.213 5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.893 -4.662 6.601 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.400 -5.454 3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.504 -5.935 5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.611 -4.144 3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.736 -4.583 4.649 1.00 0.00 H new ATOM 921 N SER A 58 58.861 -0.974 5.877 1.00 0.00 N ATOM 922 CA SER A 58 59.785 0.082 5.335 1.00 0.00 C ATOM 923 C SER A 58 60.886 -0.502 4.433 1.00 0.00 C ATOM 924 O SER A 58 60.980 -0.167 3.267 1.00 0.00 O ATOM 925 CB SER A 58 60.408 0.746 6.568 1.00 0.00 C ATOM 926 OG SER A 58 59.995 2.105 6.625 1.00 0.00 O ATOM 0 H SER A 58 58.790 -1.001 6.894 1.00 0.00 H new ATOM 0 HA SER A 58 59.235 0.784 4.709 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.101 0.222 7.473 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.495 0.685 6.518 1.00 0.00 H new ATOM 0 HG SER A 58 59.530 2.341 5.795 1.00 0.00 H new ATOM 932 N ASN A 59 61.736 -1.336 4.973 1.00 0.00 N ATOM 933 CA ASN A 59 62.863 -1.907 4.161 1.00 0.00 C ATOM 934 C ASN A 59 62.342 -2.671 2.940 1.00 0.00 C ATOM 935 O ASN A 59 62.943 -2.664 1.883 1.00 0.00 O ATOM 936 CB ASN A 59 63.608 -2.837 5.133 1.00 0.00 C ATOM 937 CG ASN A 59 62.814 -4.126 5.396 1.00 0.00 C ATOM 938 OD1 ASN A 59 62.857 -5.050 4.610 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.091 -4.221 6.479 1.00 0.00 N ATOM 0 H ASN A 59 61.702 -1.650 5.943 1.00 0.00 H new ATOM 0 HA ASN A 59 63.513 -1.131 3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 59 64.586 -3.088 4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.782 -2.317 6.075 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.561 -5.073 6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 59 62.056 -3.444 7.139 1.00 0.00 H new ATOM 946 N TYR A 60 61.240 -3.338 3.099 1.00 0.00 N ATOM 947 CA TYR A 60 60.663 -4.135 1.967 1.00 0.00 C ATOM 948 C TYR A 60 60.339 -3.251 0.751 1.00 0.00 C ATOM 949 O TYR A 60 60.120 -3.754 -0.332 1.00 0.00 O ATOM 950 CB TYR A 60 59.378 -4.751 2.519 1.00 0.00 C ATOM 951 CG TYR A 60 59.697 -6.053 3.217 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.313 -6.045 4.473 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.370 -7.270 2.609 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.604 -7.251 5.120 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.661 -8.478 3.254 1.00 0.00 C ATOM 956 CZ TYR A 60 60.278 -8.468 4.510 1.00 0.00 C ATOM 957 OH TYR A 60 60.565 -9.659 5.147 1.00 0.00 O ATOM 0 H TYR A 60 60.704 -3.371 3.966 1.00 0.00 H new ATOM 0 HA TYR A 60 61.374 -4.885 1.620 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.902 -4.061 3.216 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.670 -4.925 1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.564 -5.106 4.944 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.892 -7.278 1.640 1.00 0.00 H new ATOM 0 HE1 TYR A 60 61.080 -7.243 6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.410 -9.417 2.783 1.00 0.00 H new ATOM 0 HH TYR A 60 60.273 -10.408 4.587 1.00 0.00 H new ATOM 967 N VAL A 61 60.303 -1.949 0.911 1.00 0.00 N ATOM 968 CA VAL A 61 59.988 -1.059 -0.253 1.00 0.00 C ATOM 969 C VAL A 61 60.965 0.118 -0.318 1.00 0.00 C ATOM 970 O VAL A 61 61.611 0.453 0.658 1.00 0.00 O ATOM 971 CB VAL A 61 58.559 -0.555 -0.015 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.594 -1.741 -0.003 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.478 0.178 1.328 1.00 0.00 C ATOM 0 H VAL A 61 60.477 -1.466 1.792 1.00 0.00 H new ATOM 0 HA VAL A 61 60.077 -1.594 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 61 58.287 0.132 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.579 -1.382 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.641 -2.258 -0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.873 -2.429 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.460 0.532 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.756 -0.504 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.161 1.028 1.321 1.00 0.00 H new ATOM 983 N THR A 62 61.064 0.756 -1.459 1.00 0.00 N ATOM 984 CA THR A 62 61.984 1.926 -1.589 1.00 0.00 C ATOM 985 C THR A 62 61.207 3.144 -2.114 1.00 0.00 C ATOM 986 O THR A 62 60.035 3.300 -1.825 1.00 0.00 O ATOM 987 CB THR A 62 63.090 1.482 -2.560 1.00 0.00 C ATOM 988 OG1 THR A 62 64.068 2.508 -2.654 1.00 0.00 O ATOM 989 CG2 THR A 62 62.511 1.207 -3.947 1.00 0.00 C ATOM 0 H THR A 62 60.547 0.516 -2.305 1.00 0.00 H new ATOM 0 HA THR A 62 62.417 2.227 -0.635 1.00 0.00 H new ATOM 0 HB THR A 62 63.542 0.565 -2.182 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.777 2.229 -3.271 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.310 0.894 -4.619 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.763 0.417 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.046 2.114 -4.333 1.00 0.00 H new ATOM 997 N GLU A 63 61.846 4.018 -2.855 1.00 0.00 N ATOM 998 CA GLU A 63 61.134 5.232 -3.360 1.00 0.00 C ATOM 999 C GLU A 63 60.706 5.093 -4.824 1.00 0.00 C ATOM 1000 O GLU A 63 61.108 5.852 -5.684 1.00 0.00 O ATOM 1001 CB GLU A 63 62.122 6.384 -3.185 1.00 0.00 C ATOM 1002 CG GLU A 63 62.175 6.793 -1.712 1.00 0.00 C ATOM 1003 CD GLU A 63 60.869 7.490 -1.327 1.00 0.00 C ATOM 1004 OE1 GLU A 63 60.597 8.543 -1.879 1.00 0.00 O ATOM 1005 OE2 GLU A 63 60.163 6.959 -0.485 1.00 0.00 O ATOM 0 H GLU A 63 62.825 3.943 -3.130 1.00 0.00 H new ATOM 0 HA GLU A 63 60.209 5.395 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.113 6.082 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 63 61.819 7.233 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.329 5.915 -1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.020 7.460 -1.539 1.00 0.00 H new ATOM 1012 N ALA A 64 59.865 4.139 -5.090 1.00 0.00 N ATOM 1013 CA ALA A 64 59.330 3.904 -6.465 1.00 0.00 C ATOM 1014 C ALA A 64 60.464 3.568 -7.434 1.00 0.00 C ATOM 1015 O ALA A 64 61.547 3.193 -7.028 1.00 0.00 O ATOM 1016 CB ALA A 64 58.637 5.202 -6.879 1.00 0.00 C ATOM 0 H ALA A 64 59.511 3.487 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 64 58.638 3.062 -6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 64 58.224 5.090 -7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 64 57.833 5.425 -6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 64 59.360 6.018 -6.873 1.00 0.00 H new ATOM 1022 N GLU A 65 60.220 3.702 -8.713 1.00 0.00 N ATOM 1023 CA GLU A 65 61.279 3.393 -9.720 1.00 0.00 C ATOM 1024 C GLU A 65 62.118 4.642 -10.005 1.00 0.00 C ATOM 1025 O GLU A 65 61.603 5.663 -10.421 1.00 0.00 O ATOM 1026 CB GLU A 65 60.520 2.960 -10.974 1.00 0.00 C ATOM 1027 CG GLU A 65 60.262 1.453 -10.919 1.00 0.00 C ATOM 1028 CD GLU A 65 59.995 0.928 -12.332 1.00 0.00 C ATOM 1029 OE1 GLU A 65 58.878 1.079 -12.797 1.00 0.00 O ATOM 1030 OE2 GLU A 65 60.914 0.385 -12.924 1.00 0.00 O ATOM 0 H GLU A 65 59.331 4.013 -9.104 1.00 0.00 H new ATOM 0 HA GLU A 65 61.966 2.621 -9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 65 59.575 3.499 -11.045 1.00 0.00 H new ATOM 0 HB3 GLU A 65 61.096 3.209 -11.865 1.00 0.00 H new ATOM 0 HG2 GLU A 65 61.122 0.942 -10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 65 59.409 1.243 -10.274 1.00 0.00 H new ATOM 1037 N ASP A 66 63.406 4.565 -9.783 1.00 0.00 N ATOM 1038 CA ASP A 66 64.287 5.743 -10.039 1.00 0.00 C ATOM 1039 C ASP A 66 65.198 5.473 -11.239 1.00 0.00 C ATOM 1040 O ASP A 66 66.088 4.645 -11.178 1.00 0.00 O ATOM 1041 CB ASP A 66 65.115 5.903 -8.763 1.00 0.00 C ATOM 1042 CG ASP A 66 64.422 6.894 -7.825 1.00 0.00 C ATOM 1043 OD1 ASP A 66 63.252 6.693 -7.544 1.00 0.00 O ATOM 1044 OD2 ASP A 66 65.074 7.835 -7.404 1.00 0.00 O ATOM 0 H ASP A 66 63.886 3.735 -9.435 1.00 0.00 H new ATOM 0 HA ASP A 66 63.716 6.642 -10.271 1.00 0.00 H new ATOM 0 HB2 ASP A 66 65.231 4.938 -8.269 1.00 0.00 H new ATOM 0 HB3 ASP A 66 66.116 6.258 -9.009 1.00 0.00 H new ATOM 1049 N SER A 67 64.981 6.167 -12.328 1.00 0.00 N ATOM 1050 CA SER A 67 65.830 5.957 -13.538 1.00 0.00 C ATOM 1051 C SER A 67 66.980 6.968 -13.559 1.00 0.00 C ATOM 1052 O SER A 67 68.089 6.581 -13.230 1.00 0.00 O ATOM 1053 CB SER A 67 64.893 6.187 -14.722 1.00 0.00 C ATOM 1054 OG SER A 67 65.549 5.796 -15.922 1.00 0.00 O ATOM 1055 OXT SER A 67 66.731 8.113 -13.903 1.00 0.00 O ATOM 0 H SER A 67 64.250 6.871 -12.430 1.00 0.00 H new ATOM 0 HA SER A 67 66.280 4.964 -13.560 1.00 0.00 H new ATOM 0 HB2 SER A 67 63.976 5.613 -14.592 1.00 0.00 H new ATOM 0 HB3 SER A 67 64.607 7.237 -14.776 1.00 0.00 H new ATOM 0 HG SER A 67 64.950 5.941 -16.684 1.00 0.00 H new TER 1061 SER A 67