USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 532 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 53 SER OG : rot 161:sc= 0.997 USER MOD Set 1.2: A 56 THR OG1 : rot 90:sc= 1.16 USER MOD Set 2.1: A 37 SER OG : rot 110:sc= 0.859 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.748 X(o=1.6,f=1.2) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 64 MET CE :methyl 167:sc= 0 (180deg=-0.269) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0805 X(o=-0.08,f=-0.089) USER MOD Single : A 5 THR OG1 : rot -150:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.519 K(o=0.52,f=0) USER MOD Single : A 12 MET CE :methyl 180:sc= -0.0492 (180deg=-0.0492) USER MOD Single : A 13 THR OG1 : rot 85:sc= 0.353 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 155:sc= 0.198 USER MOD Single : A 19 GLN : amide:sc= 0.177 X(o=0.18,f=0) USER MOD Single : A 26 SER OG : rot 81:sc= 1.03 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00322 USER MOD Single : A 41 SER OG : rot 9:sc= 0.639 USER MOD Single : A 42 ASN : amide:sc= -0.0798 K(o=-0.08,f=-1.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 54:sc= 0.289 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.807 -24.636 0.350 1.00 0.00 N ATOM 2 CA LEU A 1 4.414 -24.193 0.533 1.00 0.00 C ATOM 3 C LEU A 1 4.368 -22.787 1.126 1.00 0.00 C ATOM 4 O LEU A 1 4.901 -22.563 2.211 1.00 0.00 O ATOM 5 CB LEU A 1 3.649 -25.188 1.419 1.00 0.00 C ATOM 6 CG LEU A 1 2.181 -24.800 1.681 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.352 -24.773 0.392 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.565 -25.804 2.661 1.00 0.00 C ATOM 0 H1 LEU A 1 5.816 -25.594 -0.054 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.297 -23.983 -0.295 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.293 -24.644 1.270 1.00 0.00 H new ATOM 0 HA LEU A 1 3.929 -24.161 -0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.675 -26.171 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.166 -25.278 2.375 1.00 0.00 H new ATOM 0 HG LEU A 1 2.170 -23.794 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.324 -24.495 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.777 -24.045 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.364 -25.761 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.526 -25.536 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.609 -26.805 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.122 -25.786 3.598 1.00 0.00 H new ATOM 22 N THR A 2 3.724 -21.849 0.421 1.00 0.00 N ATOM 23 CA THR A 2 3.482 -20.494 0.894 1.00 0.00 C ATOM 24 C THR A 2 2.070 -20.075 0.489 1.00 0.00 C ATOM 25 O THR A 2 1.646 -20.343 -0.635 1.00 0.00 O ATOM 26 CB THR A 2 4.536 -19.519 0.345 1.00 0.00 C ATOM 27 OG1 THR A 2 4.538 -19.540 -1.067 1.00 0.00 O ATOM 28 CG2 THR A 2 5.945 -19.833 0.856 1.00 0.00 C ATOM 0 H THR A 2 3.352 -22.021 -0.513 1.00 0.00 H new ATOM 0 HA THR A 2 3.565 -20.468 1.981 1.00 0.00 H new ATOM 0 HB THR A 2 4.262 -18.527 0.704 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.213 -18.913 -1.403 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.652 -19.116 0.439 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.961 -19.767 1.944 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.227 -20.840 0.550 1.00 0.00 H new ATOM 36 N GLN A 3 1.354 -19.428 1.413 1.00 0.00 N ATOM 37 CA GLN A 3 -0.027 -18.992 1.268 1.00 0.00 C ATOM 38 C GLN A 3 -0.122 -17.499 1.579 1.00 0.00 C ATOM 39 O GLN A 3 0.776 -16.940 2.206 1.00 0.00 O ATOM 40 CB GLN A 3 -0.902 -19.789 2.245 1.00 0.00 C ATOM 41 CG GLN A 3 -0.953 -21.288 1.918 1.00 0.00 C ATOM 42 CD GLN A 3 -1.513 -21.573 0.527 1.00 0.00 C ATOM 43 OE1 GLN A 3 -0.833 -22.157 -0.312 1.00 0.00 O ATOM 44 NE2 GLN A 3 -2.758 -21.163 0.277 1.00 0.00 N ATOM 0 H GLN A 3 1.745 -19.185 2.323 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.371 -19.164 0.248 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.520 -19.656 3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.914 -19.385 2.230 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.051 -21.706 1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.566 -21.797 2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.291 -20.681 1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.177 -21.332 -0.638 1.00 0.00 H new ATOM 53 N GLU A 4 -1.218 -16.863 1.145 1.00 0.00 N ATOM 54 CA GLU A 4 -1.516 -15.461 1.411 1.00 0.00 C ATOM 55 C GLU A 4 -2.677 -15.368 2.402 1.00 0.00 C ATOM 56 O GLU A 4 -3.587 -16.195 2.361 1.00 0.00 O ATOM 57 CB GLU A 4 -1.853 -14.745 0.097 1.00 0.00 C ATOM 58 CG GLU A 4 -1.910 -13.223 0.285 1.00 0.00 C ATOM 59 CD GLU A 4 -2.140 -12.511 -1.044 1.00 0.00 C ATOM 60 OE1 GLU A 4 -1.125 -12.199 -1.706 1.00 0.00 O ATOM 61 OE2 GLU A 4 -3.324 -12.289 -1.374 1.00 0.00 O ATOM 0 H GLU A 4 -1.935 -17.325 0.586 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.646 -14.973 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.104 -14.992 -0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.812 -15.103 -0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.711 -12.970 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.979 -12.874 0.731 1.00 0.00 H new ATOM 68 N THR A 5 -2.645 -14.359 3.280 1.00 0.00 N ATOM 69 CA THR A 5 -3.736 -14.035 4.190 1.00 0.00 C ATOM 70 C THR A 5 -3.970 -12.525 4.182 1.00 0.00 C ATOM 71 O THR A 5 -3.020 -11.747 4.266 1.00 0.00 O ATOM 72 CB THR A 5 -3.456 -14.583 5.601 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.552 -14.307 6.448 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.180 -14.027 6.243 1.00 0.00 C ATOM 0 H THR A 5 -1.843 -13.737 3.375 1.00 0.00 H new ATOM 0 HA THR A 5 -4.653 -14.518 3.852 1.00 0.00 H new ATOM 0 HB THR A 5 -3.309 -15.656 5.481 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.235 -14.201 7.369 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.053 -14.461 7.235 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.320 -14.281 5.623 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.258 -12.943 6.329 1.00 0.00 H new ATOM 82 N VAL A 6 -5.245 -12.124 4.080 1.00 0.00 N ATOM 83 CA VAL A 6 -5.679 -10.739 4.150 1.00 0.00 C ATOM 84 C VAL A 6 -6.205 -10.496 5.563 1.00 0.00 C ATOM 85 O VAL A 6 -7.273 -10.987 5.931 1.00 0.00 O ATOM 86 CB VAL A 6 -6.737 -10.445 3.072 1.00 0.00 C ATOM 87 CG1 VAL A 6 -7.215 -8.988 3.163 1.00 0.00 C ATOM 88 CG2 VAL A 6 -6.163 -10.690 1.671 1.00 0.00 C ATOM 0 H VAL A 6 -6.016 -12.778 3.943 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.851 -10.058 3.951 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.579 -11.115 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.963 -8.802 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.654 -8.810 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.368 -8.317 3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.926 -10.477 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.305 -10.038 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.849 -11.730 1.583 1.00 0.00 H new ATOM 98 N ILE A 7 -5.439 -9.735 6.347 1.00 0.00 N ATOM 99 CA ILE A 7 -5.762 -9.367 7.714 1.00 0.00 C ATOM 100 C ILE A 7 -6.331 -7.954 7.650 1.00 0.00 C ATOM 101 O ILE A 7 -5.649 -7.050 7.182 1.00 0.00 O ATOM 102 CB ILE A 7 -4.490 -9.420 8.585 1.00 0.00 C ATOM 103 CG1 ILE A 7 -3.740 -10.754 8.392 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.872 -9.200 10.057 1.00 0.00 C ATOM 105 CD1 ILE A 7 -2.490 -10.877 9.266 1.00 0.00 C ATOM 0 H ILE A 7 -4.549 -9.349 6.031 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.483 -10.051 8.162 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.811 -8.625 8.275 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.416 -11.579 8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.454 -10.854 7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.975 -9.237 10.675 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.349 -8.226 10.167 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.563 -9.981 10.374 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.010 -11.838 9.081 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.796 -10.072 9.024 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.772 -10.808 10.317 1.00 0.00 H new ATOM 117 N ASN A 8 -7.571 -7.753 8.100 1.00 0.00 N ATOM 118 CA ASN A 8 -8.204 -6.440 8.130 1.00 0.00 C ATOM 119 C ASN A 8 -7.743 -5.727 9.396 1.00 0.00 C ATOM 120 O ASN A 8 -8.122 -6.133 10.493 1.00 0.00 O ATOM 121 CB ASN A 8 -9.731 -6.578 8.085 1.00 0.00 C ATOM 122 CG ASN A 8 -10.186 -7.418 6.893 1.00 0.00 C ATOM 123 OD1 ASN A 8 -10.378 -6.896 5.797 1.00 0.00 O ATOM 124 ND2 ASN A 8 -10.358 -8.724 7.105 1.00 0.00 N ATOM 0 H ASN A 8 -8.165 -8.503 8.455 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.914 -5.855 7.257 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.083 -7.037 9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.185 -5.589 8.028 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.660 -9.329 6.341 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.188 -9.117 8.031 1.00 0.00 H new ATOM 131 N ILE A 9 -6.912 -4.687 9.241 1.00 0.00 N ATOM 132 CA ILE A 9 -6.258 -3.986 10.337 1.00 0.00 C ATOM 133 C ILE A 9 -6.848 -2.583 10.427 1.00 0.00 C ATOM 134 O ILE A 9 -6.536 -1.726 9.601 1.00 0.00 O ATOM 135 CB ILE A 9 -4.729 -3.934 10.137 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.139 -5.329 9.862 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.094 -3.336 11.404 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.660 -5.279 9.468 1.00 0.00 C ATOM 0 H ILE A 9 -6.675 -4.306 8.325 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.434 -4.521 11.270 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.510 -3.315 9.267 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.253 -5.949 10.751 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.707 -5.808 9.065 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.012 -3.291 11.282 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.483 -2.331 11.566 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.337 -3.962 12.263 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.297 -6.291 9.286 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.545 -4.684 8.562 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.084 -4.827 10.275 1.00 0.00 H new ATOM 150 N ASP A 10 -7.683 -2.345 11.444 1.00 0.00 N ATOM 151 CA ASP A 10 -8.235 -1.032 11.737 1.00 0.00 C ATOM 152 C ASP A 10 -7.429 -0.399 12.874 1.00 0.00 C ATOM 153 O ASP A 10 -6.958 -1.098 13.771 1.00 0.00 O ATOM 154 CB ASP A 10 -9.723 -1.167 12.084 1.00 0.00 C ATOM 155 CG ASP A 10 -10.329 0.165 12.517 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.456 1.044 11.636 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.647 0.285 13.720 1.00 0.00 O ATOM 0 H ASP A 10 -7.994 -3.071 12.090 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.163 -0.378 10.868 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.265 -1.548 11.218 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.845 -1.898 12.883 1.00 0.00 H new ATOM 162 N GLY A 11 -7.267 0.928 12.820 1.00 0.00 N ATOM 163 CA GLY A 11 -6.563 1.708 13.827 1.00 0.00 C ATOM 164 C GLY A 11 -5.164 2.151 13.391 1.00 0.00 C ATOM 165 O GLY A 11 -4.532 2.908 14.125 1.00 0.00 O ATOM 0 H GLY A 11 -7.632 1.496 12.055 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.155 2.590 14.071 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.480 1.118 14.740 1.00 0.00 H new ATOM 169 N MET A 12 -4.673 1.706 12.222 1.00 0.00 N ATOM 170 CA MET A 12 -3.350 2.075 11.722 1.00 0.00 C ATOM 171 C MET A 12 -3.213 3.596 11.657 1.00 0.00 C ATOM 172 O MET A 12 -2.361 4.162 12.337 1.00 0.00 O ATOM 173 CB MET A 12 -3.075 1.435 10.353 1.00 0.00 C ATOM 174 CG MET A 12 -3.099 -0.094 10.429 1.00 0.00 C ATOM 175 SD MET A 12 -2.345 -0.950 9.018 1.00 0.00 S ATOM 176 CE MET A 12 -3.568 -0.603 7.733 1.00 0.00 C ATOM 0 H MET A 12 -5.187 1.081 11.602 1.00 0.00 H new ATOM 0 HA MET A 12 -2.603 1.692 12.417 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.821 1.776 9.635 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.104 1.766 9.985 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.585 -0.405 11.339 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.135 -0.421 10.521 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.252 -1.062 6.796 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.534 -1.012 8.030 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.657 0.475 7.597 1.00 0.00 H new ATOM 186 N THR A 13 -4.074 4.244 10.864 1.00 0.00 N ATOM 187 CA THR A 13 -4.246 5.691 10.795 1.00 0.00 C ATOM 188 C THR A 13 -3.106 6.382 10.040 1.00 0.00 C ATOM 189 O THR A 13 -3.351 7.003 9.007 1.00 0.00 O ATOM 190 CB THR A 13 -4.482 6.303 12.192 1.00 0.00 C ATOM 191 OG1 THR A 13 -5.419 5.532 12.918 1.00 0.00 O ATOM 192 CG2 THR A 13 -5.019 7.733 12.076 1.00 0.00 C ATOM 0 H THR A 13 -4.696 3.747 10.226 1.00 0.00 H new ATOM 0 HA THR A 13 -5.148 5.874 10.211 1.00 0.00 H new ATOM 0 HB THR A 13 -3.524 6.312 12.712 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.958 4.791 13.363 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.178 8.144 13.073 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.298 8.350 11.540 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.964 7.724 11.533 1.00 0.00 H new ATOM 200 N CYS A 14 -1.876 6.296 10.562 1.00 0.00 N ATOM 201 CA CYS A 14 -0.723 7.045 10.080 1.00 0.00 C ATOM 202 C CYS A 14 0.261 6.133 9.353 1.00 0.00 C ATOM 203 O CYS A 14 0.328 4.934 9.620 1.00 0.00 O ATOM 204 CB CYS A 14 -0.022 7.726 11.263 1.00 0.00 C ATOM 205 SG CYS A 14 -1.142 8.899 12.072 1.00 0.00 S ATOM 0 H CYS A 14 -1.656 5.687 11.350 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.073 7.799 9.375 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.307 6.974 11.980 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.870 8.247 10.915 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.531 9.463 13.072 1.00 0.00 H new ATOM 211 N ASN A 15 1.043 6.724 8.443 1.00 0.00 N ATOM 212 CA ASN A 15 2.090 6.032 7.701 1.00 0.00 C ATOM 213 C ASN A 15 3.182 5.498 8.632 1.00 0.00 C ATOM 214 O ASN A 15 3.827 4.505 8.307 1.00 0.00 O ATOM 215 CB ASN A 15 2.688 6.972 6.648 1.00 0.00 C ATOM 216 CG ASN A 15 1.633 7.437 5.647 1.00 0.00 C ATOM 217 OD1 ASN A 15 1.172 8.573 5.713 1.00 0.00 O ATOM 218 ND2 ASN A 15 1.244 6.558 4.721 1.00 0.00 N ATOM 0 H ASN A 15 0.961 7.712 8.201 1.00 0.00 H new ATOM 0 HA ASN A 15 1.642 5.173 7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.129 7.838 7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.493 6.462 6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.538 6.821 4.033 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.653 5.624 4.701 1.00 0.00 H new ATOM 225 N SER A 16 3.392 6.143 9.787 1.00 0.00 N ATOM 226 CA SER A 16 4.300 5.661 10.821 1.00 0.00 C ATOM 227 C SER A 16 3.908 4.248 11.256 1.00 0.00 C ATOM 228 O SER A 16 4.758 3.364 11.332 1.00 0.00 O ATOM 229 CB SER A 16 4.281 6.624 12.012 1.00 0.00 C ATOM 230 OG SER A 16 4.703 7.911 11.610 1.00 0.00 O ATOM 0 H SER A 16 2.930 7.020 10.026 1.00 0.00 H new ATOM 0 HA SER A 16 5.313 5.621 10.420 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.275 6.678 12.429 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.934 6.250 12.801 1.00 0.00 H new ATOM 0 HG SER A 16 4.684 8.517 12.380 1.00 0.00 H new ATOM 236 N CYS A 17 2.614 4.042 11.532 1.00 0.00 N ATOM 237 CA CYS A 17 2.071 2.755 11.938 1.00 0.00 C ATOM 238 C CYS A 17 2.242 1.726 10.825 1.00 0.00 C ATOM 239 O CYS A 17 2.658 0.605 11.098 1.00 0.00 O ATOM 240 CB CYS A 17 0.595 2.892 12.329 1.00 0.00 C ATOM 241 SG CYS A 17 0.421 4.073 13.694 1.00 0.00 S ATOM 0 H CYS A 17 1.912 4.779 11.477 1.00 0.00 H new ATOM 0 HA CYS A 17 2.624 2.408 12.811 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.013 3.227 11.471 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.197 1.921 12.624 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.777 4.578 13.681 1.00 0.00 H new ATOM 247 N VAL A 18 1.934 2.101 9.577 1.00 0.00 N ATOM 248 CA VAL A 18 2.088 1.235 8.411 1.00 0.00 C ATOM 249 C VAL A 18 3.525 0.712 8.323 1.00 0.00 C ATOM 250 O VAL A 18 3.737 -0.497 8.250 1.00 0.00 O ATOM 251 CB VAL A 18 1.679 1.999 7.138 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.948 1.189 5.864 1.00 0.00 C ATOM 253 CG2 VAL A 18 0.189 2.361 7.174 1.00 0.00 C ATOM 0 H VAL A 18 1.567 3.025 9.351 1.00 0.00 H new ATOM 0 HA VAL A 18 1.432 0.370 8.510 1.00 0.00 H new ATOM 0 HB VAL A 18 2.287 2.903 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.643 1.769 4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.012 0.962 5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.380 0.259 5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.077 2.900 6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.405 1.450 7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.012 2.991 8.041 1.00 0.00 H new ATOM 263 N GLN A 19 4.501 1.629 8.338 1.00 0.00 N ATOM 264 CA GLN A 19 5.925 1.323 8.277 1.00 0.00 C ATOM 265 C GLN A 19 6.346 0.412 9.433 1.00 0.00 C ATOM 266 O GLN A 19 7.045 -0.576 9.215 1.00 0.00 O ATOM 267 CB GLN A 19 6.731 2.626 8.281 1.00 0.00 C ATOM 268 CG GLN A 19 6.595 3.360 6.942 1.00 0.00 C ATOM 269 CD GLN A 19 7.196 4.761 7.013 1.00 0.00 C ATOM 270 OE1 GLN A 19 8.281 5.005 6.489 1.00 0.00 O ATOM 271 NE2 GLN A 19 6.488 5.684 7.664 1.00 0.00 N ATOM 0 H GLN A 19 4.310 2.629 8.395 1.00 0.00 H new ATOM 0 HA GLN A 19 6.128 0.784 7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.384 3.270 9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.781 2.408 8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.093 2.788 6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.542 3.427 6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.592 5.437 8.084 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.842 6.637 7.742 1.00 0.00 H new ATOM 280 N SER A 20 5.917 0.739 10.659 1.00 0.00 N ATOM 281 CA SER A 20 6.212 -0.050 11.846 1.00 0.00 C ATOM 282 C SER A 20 5.721 -1.490 11.674 1.00 0.00 C ATOM 283 O SER A 20 6.495 -2.430 11.856 1.00 0.00 O ATOM 284 CB SER A 20 5.585 0.618 13.076 1.00 0.00 C ATOM 285 OG SER A 20 5.900 -0.107 14.245 1.00 0.00 O ATOM 0 H SER A 20 5.352 1.566 10.849 1.00 0.00 H new ATOM 0 HA SER A 20 7.291 -0.093 11.992 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.949 1.642 13.166 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.503 0.673 12.956 1.00 0.00 H new ATOM 0 HG SER A 20 5.494 0.332 15.022 1.00 0.00 H new ATOM 291 N ILE A 21 4.442 -1.654 11.314 1.00 0.00 N ATOM 292 CA ILE A 21 3.802 -2.946 11.113 1.00 0.00 C ATOM 293 C ILE A 21 4.592 -3.770 10.100 1.00 0.00 C ATOM 294 O ILE A 21 5.076 -4.844 10.446 1.00 0.00 O ATOM 295 CB ILE A 21 2.328 -2.764 10.703 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.509 -2.232 11.896 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.732 -4.098 10.231 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.172 -1.633 11.448 1.00 0.00 C ATOM 0 H ILE A 21 3.813 -0.867 11.152 1.00 0.00 H new ATOM 0 HA ILE A 21 3.801 -3.499 12.053 1.00 0.00 H new ATOM 0 HB ILE A 21 2.286 -2.046 9.884 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.326 -3.043 12.601 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.087 -1.474 12.425 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.690 -3.950 9.945 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.295 -4.465 9.373 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.787 -4.827 11.039 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.374 -1.270 12.319 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.355 -0.805 10.763 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.418 -2.398 10.943 1.00 0.00 H new ATOM 310 N GLU A 22 4.724 -3.282 8.858 1.00 0.00 N ATOM 311 CA GLU A 22 5.369 -4.054 7.804 1.00 0.00 C ATOM 312 C GLU A 22 6.812 -4.409 8.175 1.00 0.00 C ATOM 313 O GLU A 22 7.236 -5.538 7.945 1.00 0.00 O ATOM 314 CB GLU A 22 5.215 -3.385 6.429 1.00 0.00 C ATOM 315 CG GLU A 22 5.954 -2.052 6.239 1.00 0.00 C ATOM 316 CD GLU A 22 7.460 -2.192 6.016 1.00 0.00 C ATOM 317 OE1 GLU A 22 7.862 -3.177 5.359 1.00 0.00 O ATOM 318 OE2 GLU A 22 8.188 -1.303 6.507 1.00 0.00 O ATOM 0 H GLU A 22 4.393 -2.362 8.567 1.00 0.00 H new ATOM 0 HA GLU A 22 4.850 -5.008 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.564 -4.082 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.154 -3.218 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.520 -1.528 5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.785 -1.428 7.117 1.00 0.00 H new ATOM 325 N GLY A 23 7.548 -3.463 8.773 1.00 0.00 N ATOM 326 CA GLY A 23 8.925 -3.659 9.196 1.00 0.00 C ATOM 327 C GLY A 23 9.048 -4.833 10.166 1.00 0.00 C ATOM 328 O GLY A 23 9.812 -5.763 9.914 1.00 0.00 O ATOM 0 H GLY A 23 7.191 -2.529 8.976 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.553 -3.838 8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.294 -2.751 9.673 1.00 0.00 H new ATOM 332 N VAL A 24 8.294 -4.788 11.270 1.00 0.00 N ATOM 333 CA VAL A 24 8.307 -5.819 12.300 1.00 0.00 C ATOM 334 C VAL A 24 7.866 -7.167 11.723 1.00 0.00 C ATOM 335 O VAL A 24 8.566 -8.165 11.887 1.00 0.00 O ATOM 336 CB VAL A 24 7.431 -5.376 13.487 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.216 -6.512 14.497 1.00 0.00 C ATOM 338 CG2 VAL A 24 8.089 -4.197 14.217 1.00 0.00 C ATOM 0 H VAL A 24 7.651 -4.022 11.471 1.00 0.00 H new ATOM 0 HA VAL A 24 9.324 -5.954 12.668 1.00 0.00 H new ATOM 0 HB VAL A 24 6.464 -5.083 13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.593 -6.156 15.318 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.722 -7.349 14.003 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.180 -6.838 14.888 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.462 -3.892 15.054 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.068 -4.500 14.589 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.205 -3.361 13.527 1.00 0.00 H new ATOM 348 N ILE A 25 6.708 -7.198 11.056 1.00 0.00 N ATOM 349 CA ILE A 25 6.095 -8.427 10.568 1.00 0.00 C ATOM 350 C ILE A 25 6.985 -9.129 9.534 1.00 0.00 C ATOM 351 O ILE A 25 7.068 -10.354 9.553 1.00 0.00 O ATOM 352 CB ILE A 25 4.667 -8.148 10.068 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.751 -7.640 11.201 1.00 0.00 C ATOM 354 CG2 ILE A 25 4.042 -9.387 9.410 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.340 -8.697 12.235 1.00 0.00 C ATOM 0 H ILE A 25 6.168 -6.360 10.840 1.00 0.00 H new ATOM 0 HA ILE A 25 6.005 -9.132 11.394 1.00 0.00 H new ATOM 0 HB ILE A 25 4.753 -7.363 9.317 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.259 -6.827 11.719 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.849 -7.221 10.756 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.034 -9.149 9.070 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.650 -9.692 8.558 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.998 -10.201 10.134 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.698 -8.239 12.988 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.799 -9.502 11.737 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.231 -9.102 12.715 1.00 0.00 H new ATOM 367 N SER A 26 7.674 -8.378 8.661 1.00 0.00 N ATOM 368 CA SER A 26 8.624 -8.944 7.703 1.00 0.00 C ATOM 369 C SER A 26 9.697 -9.812 8.374 1.00 0.00 C ATOM 370 O SER A 26 10.190 -10.750 7.750 1.00 0.00 O ATOM 371 CB SER A 26 9.296 -7.837 6.884 1.00 0.00 C ATOM 372 OG SER A 26 8.360 -7.211 6.033 1.00 0.00 O ATOM 0 H SER A 26 7.585 -7.364 8.603 1.00 0.00 H new ATOM 0 HA SER A 26 8.045 -9.589 7.042 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.737 -7.099 7.554 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.109 -8.257 6.292 1.00 0.00 H new ATOM 0 HG SER A 26 7.840 -6.556 6.544 1.00 0.00 H new ATOM 378 N LYS A 27 10.057 -9.514 9.630 1.00 0.00 N ATOM 379 CA LYS A 27 11.110 -10.221 10.350 1.00 0.00 C ATOM 380 C LYS A 27 10.573 -11.437 11.117 1.00 0.00 C ATOM 381 O LYS A 27 11.371 -12.198 11.663 1.00 0.00 O ATOM 382 CB LYS A 27 11.820 -9.252 11.306 1.00 0.00 C ATOM 383 CG LYS A 27 12.506 -8.111 10.542 1.00 0.00 C ATOM 384 CD LYS A 27 13.329 -7.201 11.465 1.00 0.00 C ATOM 385 CE LYS A 27 12.450 -6.385 12.420 1.00 0.00 C ATOM 386 NZ LYS A 27 13.257 -5.451 13.221 1.00 0.00 N ATOM 0 H LYS A 27 9.619 -8.770 10.173 1.00 0.00 H new ATOM 0 HA LYS A 27 11.822 -10.599 9.616 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.097 -8.838 12.009 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.561 -9.795 11.893 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.157 -8.531 9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.751 -7.516 10.028 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.023 -7.809 12.045 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.930 -6.522 10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.707 -5.829 11.849 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.905 -7.058 13.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.635 -4.913 13.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.950 -5.985 13.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.757 -4.794 12.589 1.00 0.00 H new ATOM 400 N LYS A 28 9.249 -11.646 11.164 1.00 0.00 N ATOM 401 CA LYS A 28 8.667 -12.806 11.827 1.00 0.00 C ATOM 402 C LYS A 28 8.927 -14.056 10.979 1.00 0.00 C ATOM 403 O LYS A 28 8.832 -13.988 9.752 1.00 0.00 O ATOM 404 CB LYS A 28 7.160 -12.602 12.045 1.00 0.00 C ATOM 405 CG LYS A 28 6.829 -11.395 12.932 1.00 0.00 C ATOM 406 CD LYS A 28 7.169 -11.623 14.409 1.00 0.00 C ATOM 407 CE LYS A 28 6.778 -10.389 15.225 1.00 0.00 C ATOM 408 NZ LYS A 28 7.074 -10.572 16.654 1.00 0.00 N ATOM 0 H LYS A 28 8.563 -11.018 10.745 1.00 0.00 H new ATOM 0 HA LYS A 28 9.132 -12.934 12.805 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.675 -12.476 11.077 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.741 -13.501 12.497 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.376 -10.525 12.570 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.767 -11.165 12.841 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.641 -12.500 14.782 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.235 -11.822 14.520 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.315 -9.518 14.850 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.715 -10.188 15.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.797 -9.718 17.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.542 -11.389 17.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.093 -10.740 16.779 1.00 0.00 H new ATOM 422 N PRO A 29 9.257 -15.200 11.601 1.00 0.00 N ATOM 423 CA PRO A 29 9.604 -16.418 10.887 1.00 0.00 C ATOM 424 C PRO A 29 8.396 -16.930 10.107 1.00 0.00 C ATOM 425 O PRO A 29 7.296 -17.015 10.650 1.00 0.00 O ATOM 426 CB PRO A 29 10.063 -17.411 11.958 1.00 0.00 C ATOM 427 CG PRO A 29 9.333 -16.939 13.216 1.00 0.00 C ATOM 428 CD PRO A 29 9.299 -15.421 13.037 1.00 0.00 C ATOM 0 HA PRO A 29 10.393 -16.260 10.152 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.794 -18.435 11.698 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.145 -17.389 12.089 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.330 -17.361 13.284 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.863 -17.228 14.124 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.427 -14.988 13.526 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.178 -14.954 13.480 1.00 0.00 H new ATOM 436 N GLY A 30 8.608 -17.254 8.826 1.00 0.00 N ATOM 437 CA GLY A 30 7.565 -17.711 7.926 1.00 0.00 C ATOM 438 C GLY A 30 7.144 -16.621 6.948 1.00 0.00 C ATOM 439 O GLY A 30 6.837 -16.939 5.801 1.00 0.00 O ATOM 0 H GLY A 30 9.527 -17.202 8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.919 -18.580 7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.700 -18.033 8.506 1.00 0.00 H new ATOM 443 N VAL A 31 7.117 -15.355 7.386 1.00 0.00 N ATOM 444 CA VAL A 31 6.683 -14.246 6.547 1.00 0.00 C ATOM 445 C VAL A 31 7.673 -14.044 5.400 1.00 0.00 C ATOM 446 O VAL A 31 8.881 -13.997 5.623 1.00 0.00 O ATOM 447 CB VAL A 31 6.503 -12.962 7.375 1.00 0.00 C ATOM 448 CG1 VAL A 31 6.083 -11.791 6.475 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.422 -13.176 8.442 1.00 0.00 C ATOM 0 H VAL A 31 7.395 -15.079 8.328 1.00 0.00 H new ATOM 0 HA VAL A 31 5.710 -14.487 6.120 1.00 0.00 H new ATOM 0 HB VAL A 31 7.456 -12.728 7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.961 -10.893 7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.850 -11.619 5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.139 -12.029 5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.300 -12.263 9.024 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.478 -13.427 7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.719 -13.991 9.102 1.00 0.00 H new ATOM 459 N LYS A 32 7.139 -13.928 4.180 1.00 0.00 N ATOM 460 CA LYS A 32 7.892 -13.689 2.962 1.00 0.00 C ATOM 461 C LYS A 32 7.700 -12.219 2.573 1.00 0.00 C ATOM 462 O LYS A 32 8.328 -11.352 3.178 1.00 0.00 O ATOM 463 CB LYS A 32 7.456 -14.700 1.885 1.00 0.00 C ATOM 464 CG LYS A 32 7.571 -16.164 2.336 1.00 0.00 C ATOM 465 CD LYS A 32 8.989 -16.559 2.763 1.00 0.00 C ATOM 466 CE LYS A 32 9.041 -18.053 3.096 1.00 0.00 C ATOM 467 NZ LYS A 32 10.381 -18.454 3.557 1.00 0.00 N ATOM 0 H LYS A 32 6.135 -14.002 4.016 1.00 0.00 H new ATOM 0 HA LYS A 32 8.962 -13.848 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.423 -14.495 1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.065 -14.554 0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.888 -16.335 3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.250 -16.814 1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.694 -16.332 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.292 -15.974 3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.306 -18.281 3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.769 -18.634 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.383 -19.471 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.078 -18.258 2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.629 -17.917 4.412 1.00 0.00 H new ATOM 481 N SER A 33 6.834 -11.928 1.593 1.00 0.00 N ATOM 482 CA SER A 33 6.470 -10.572 1.208 1.00 0.00 C ATOM 483 C SER A 33 5.258 -10.104 2.016 1.00 0.00 C ATOM 484 O SER A 33 4.516 -10.917 2.566 1.00 0.00 O ATOM 485 CB SER A 33 6.193 -10.531 -0.298 1.00 0.00 C ATOM 486 OG SER A 33 5.192 -11.464 -0.650 1.00 0.00 O ATOM 0 H SER A 33 6.363 -12.645 1.041 1.00 0.00 H new ATOM 0 HA SER A 33 7.293 -9.891 1.425 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.879 -9.528 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.109 -10.749 -0.847 1.00 0.00 H new ATOM 0 HG SER A 33 5.029 -11.420 -1.615 1.00 0.00 H new ATOM 492 N ILE A 34 5.055 -8.784 2.081 1.00 0.00 N ATOM 493 CA ILE A 34 3.918 -8.171 2.749 1.00 0.00 C ATOM 494 C ILE A 34 3.576 -6.847 2.063 1.00 0.00 C ATOM 495 O ILE A 34 4.471 -6.155 1.578 1.00 0.00 O ATOM 496 CB ILE A 34 4.203 -8.007 4.257 1.00 0.00 C ATOM 497 CG1 ILE A 34 2.978 -7.399 4.960 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.458 -7.161 4.519 1.00 0.00 C ATOM 499 CD1 ILE A 34 3.048 -7.513 6.485 1.00 0.00 C ATOM 0 H ILE A 34 5.691 -8.106 1.662 1.00 0.00 H new ATOM 0 HA ILE A 34 3.044 -8.818 2.668 1.00 0.00 H new ATOM 0 HB ILE A 34 4.397 -8.997 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.891 -6.348 4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.077 -7.898 4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.619 -7.072 5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.323 -7.641 4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.324 -6.168 4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.156 -7.067 6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.106 -8.564 6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.932 -6.990 6.849 1.00 0.00 H new ATOM 511 N ARG A 35 2.282 -6.502 2.031 1.00 0.00 N ATOM 512 CA ARG A 35 1.785 -5.226 1.537 1.00 0.00 C ATOM 513 C ARG A 35 0.710 -4.734 2.504 1.00 0.00 C ATOM 514 O ARG A 35 -0.376 -5.308 2.558 1.00 0.00 O ATOM 515 CB ARG A 35 1.260 -5.400 0.103 1.00 0.00 C ATOM 516 CG ARG A 35 0.918 -4.077 -0.602 1.00 0.00 C ATOM 517 CD ARG A 35 -0.487 -3.553 -0.274 1.00 0.00 C ATOM 518 NE ARG A 35 -0.806 -2.351 -1.055 1.00 0.00 N ATOM 519 CZ ARG A 35 -0.402 -1.104 -0.759 1.00 0.00 C ATOM 520 NH1 ARG A 35 0.383 -0.863 0.300 1.00 0.00 N ATOM 521 NH2 ARG A 35 -0.792 -0.084 -1.534 1.00 0.00 N ATOM 0 H ARG A 35 1.540 -7.122 2.357 1.00 0.00 H new ATOM 0 HA ARG A 35 2.575 -4.477 1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.009 -5.930 -0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.370 -6.028 0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.653 -3.323 -0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.003 -4.216 -1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.224 -4.329 -0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.553 -3.326 0.790 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.380 -2.472 -1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.684 -1.633 0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.679 0.090 0.509 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.391 -0.257 -2.341 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.490 0.866 -1.317 1.00 0.00 H new ATOM 535 N VAL A 36 1.015 -3.672 3.259 1.00 0.00 N ATOM 536 CA VAL A 36 0.088 -3.040 4.187 1.00 0.00 C ATOM 537 C VAL A 36 -0.517 -1.813 3.506 1.00 0.00 C ATOM 538 O VAL A 36 0.139 -0.780 3.393 1.00 0.00 O ATOM 539 CB VAL A 36 0.796 -2.689 5.508 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.191 -2.060 6.501 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.394 -3.941 6.160 1.00 0.00 C ATOM 0 H VAL A 36 1.931 -3.225 3.237 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.718 -3.727 4.446 1.00 0.00 H new ATOM 0 HB VAL A 36 1.590 -1.982 5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.329 -1.819 7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.608 -1.149 6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.996 -2.764 6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.888 -3.665 7.092 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.599 -4.657 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.120 -4.392 5.484 1.00 0.00 H new ATOM 551 N SER A 37 -1.771 -1.935 3.056 1.00 0.00 N ATOM 552 CA SER A 37 -2.516 -0.846 2.443 1.00 0.00 C ATOM 553 C SER A 37 -3.270 -0.083 3.528 1.00 0.00 C ATOM 554 O SER A 37 -4.128 -0.651 4.201 1.00 0.00 O ATOM 555 CB SER A 37 -3.495 -1.400 1.404 1.00 0.00 C ATOM 556 OG SER A 37 -4.223 -0.342 0.813 1.00 0.00 O ATOM 0 H SER A 37 -2.298 -2.807 3.111 1.00 0.00 H new ATOM 0 HA SER A 37 -1.826 -0.169 1.939 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.951 -1.951 0.637 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.180 -2.104 1.877 1.00 0.00 H new ATOM 0 HG SER A 37 -3.937 -0.228 -0.117 1.00 0.00 H new ATOM 562 N LEU A 38 -2.957 1.207 3.677 1.00 0.00 N ATOM 563 CA LEU A 38 -3.682 2.118 4.550 1.00 0.00 C ATOM 564 C LEU A 38 -5.065 2.404 3.961 1.00 0.00 C ATOM 565 O LEU A 38 -6.059 2.383 4.684 1.00 0.00 O ATOM 566 CB LEU A 38 -2.860 3.403 4.724 1.00 0.00 C ATOM 567 CG LEU A 38 -3.472 4.431 5.692 1.00 0.00 C ATOM 568 CD1 LEU A 38 -3.656 3.870 7.108 1.00 0.00 C ATOM 569 CD2 LEU A 38 -2.555 5.658 5.758 1.00 0.00 C ATOM 0 H LEU A 38 -2.180 1.649 3.185 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.828 1.669 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.865 3.136 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.734 3.873 3.748 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.459 4.694 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.091 4.637 7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.320 3.006 7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.688 3.568 7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.980 6.393 6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.570 5.357 6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.463 6.097 4.765 1.00 0.00 H new ATOM 581 N ALA A 39 -5.118 2.655 2.645 1.00 0.00 N ATOM 582 CA ALA A 39 -6.338 2.939 1.902 1.00 0.00 C ATOM 583 C ALA A 39 -7.400 1.859 2.125 1.00 0.00 C ATOM 584 O ALA A 39 -8.546 2.182 2.429 1.00 0.00 O ATOM 585 CB ALA A 39 -6.006 3.076 0.413 1.00 0.00 C ATOM 0 H ALA A 39 -4.284 2.665 2.058 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.755 3.877 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.918 3.289 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.296 3.891 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.568 2.146 0.051 1.00 0.00 H new ATOM 591 N ASN A 40 -7.012 0.584 1.990 1.00 0.00 N ATOM 592 CA ASN A 40 -7.907 -0.550 2.209 1.00 0.00 C ATOM 593 C ASN A 40 -7.887 -1.009 3.674 1.00 0.00 C ATOM 594 O ASN A 40 -8.675 -1.879 4.040 1.00 0.00 O ATOM 595 CB ASN A 40 -7.523 -1.703 1.273 1.00 0.00 C ATOM 596 CG ASN A 40 -7.686 -1.327 -0.197 1.00 0.00 C ATOM 597 OD1 ASN A 40 -8.755 -1.519 -0.774 1.00 0.00 O ATOM 598 ND2 ASN A 40 -6.628 -0.797 -0.814 1.00 0.00 N ATOM 0 H ASN A 40 -6.065 0.314 1.725 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.925 -0.231 1.983 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.489 -1.992 1.460 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.143 -2.572 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.689 -0.536 -1.798 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.758 -0.653 -0.301 1.00 0.00 H new ATOM 605 N SER A 41 -7.006 -0.431 4.505 1.00 0.00 N ATOM 606 CA SER A 41 -6.864 -0.724 5.926 1.00 0.00 C ATOM 607 C SER A 41 -6.704 -2.224 6.169 1.00 0.00 C ATOM 608 O SER A 41 -7.472 -2.827 6.919 1.00 0.00 O ATOM 609 CB SER A 41 -8.027 -0.104 6.712 1.00 0.00 C ATOM 610 OG SER A 41 -7.973 1.304 6.614 1.00 0.00 O ATOM 0 H SER A 41 -6.350 0.281 4.185 1.00 0.00 H new ATOM 0 HA SER A 41 -5.948 -0.264 6.296 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.977 -0.469 6.322 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.974 -0.407 7.758 1.00 0.00 H new ATOM 0 HG SER A 41 -7.293 1.560 5.957 1.00 0.00 H new ATOM 616 N ASN A 42 -5.701 -2.828 5.521 1.00 0.00 N ATOM 617 CA ASN A 42 -5.443 -4.254 5.624 1.00 0.00 C ATOM 618 C ASN A 42 -3.982 -4.590 5.325 1.00 0.00 C ATOM 619 O ASN A 42 -3.310 -3.889 4.570 1.00 0.00 O ATOM 620 CB ASN A 42 -6.428 -5.060 4.755 1.00 0.00 C ATOM 621 CG ASN A 42 -6.387 -4.746 3.259 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.500 -4.053 2.770 1.00 0.00 O ATOM 623 ND2 ASN A 42 -7.365 -5.266 2.517 1.00 0.00 N ATOM 0 H ASN A 42 -5.049 -2.334 4.912 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.616 -4.551 6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.223 -6.122 4.892 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.439 -4.881 5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.391 -5.092 1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.088 -5.838 2.954 1.00 0.00 H new ATOM 630 N GLY A 43 -3.512 -5.678 5.940 1.00 0.00 N ATOM 631 CA GLY A 43 -2.208 -6.276 5.744 1.00 0.00 C ATOM 632 C GLY A 43 -2.375 -7.549 4.926 1.00 0.00 C ATOM 633 O GLY A 43 -2.961 -8.518 5.406 1.00 0.00 O ATOM 0 H GLY A 43 -4.070 -6.187 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.546 -5.580 5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.747 -6.502 6.706 1.00 0.00 H new ATOM 637 N THR A 44 -1.844 -7.548 3.700 1.00 0.00 N ATOM 638 CA THR A 44 -1.863 -8.687 2.799 1.00 0.00 C ATOM 639 C THR A 44 -0.497 -9.352 2.929 1.00 0.00 C ATOM 640 O THR A 44 0.475 -8.904 2.323 1.00 0.00 O ATOM 641 CB THR A 44 -2.157 -8.208 1.371 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.398 -7.531 1.352 1.00 0.00 O ATOM 643 CG2 THR A 44 -2.215 -9.382 0.388 1.00 0.00 C ATOM 0 H THR A 44 -1.379 -6.731 3.304 1.00 0.00 H new ATOM 0 HA THR A 44 -2.644 -9.406 3.044 1.00 0.00 H new ATOM 0 HB THR A 44 -1.351 -7.541 1.064 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.588 -7.222 0.442 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.425 -9.008 -0.614 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.258 -9.904 0.387 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.003 -10.071 0.690 1.00 0.00 H new ATOM 651 N VAL A 45 -0.436 -10.400 3.760 1.00 0.00 N ATOM 652 CA VAL A 45 0.799 -11.041 4.183 1.00 0.00 C ATOM 653 C VAL A 45 0.961 -12.367 3.444 1.00 0.00 C ATOM 654 O VAL A 45 0.056 -13.198 3.483 1.00 0.00 O ATOM 655 CB VAL A 45 0.779 -11.279 5.707 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.184 -11.656 6.194 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.279 -10.056 6.487 1.00 0.00 C ATOM 0 H VAL A 45 -1.269 -10.830 4.162 1.00 0.00 H new ATOM 0 HA VAL A 45 1.642 -10.392 3.946 1.00 0.00 H new ATOM 0 HB VAL A 45 0.081 -12.095 5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.163 -11.823 7.271 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.511 -12.567 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.878 -10.847 5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.285 -10.278 7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.932 -9.206 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.736 -9.814 6.172 1.00 0.00 H new ATOM 667 N GLU A 46 2.114 -12.565 2.794 1.00 0.00 N ATOM 668 CA GLU A 46 2.520 -13.847 2.238 1.00 0.00 C ATOM 669 C GLU A 46 3.353 -14.542 3.314 1.00 0.00 C ATOM 670 O GLU A 46 4.247 -13.919 3.886 1.00 0.00 O ATOM 671 CB GLU A 46 3.332 -13.622 0.956 1.00 0.00 C ATOM 672 CG GLU A 46 3.677 -14.929 0.225 1.00 0.00 C ATOM 673 CD GLU A 46 2.448 -15.663 -0.308 1.00 0.00 C ATOM 674 OE1 GLU A 46 1.501 -14.968 -0.735 1.00 0.00 O ATOM 675 OE2 GLU A 46 2.478 -16.912 -0.289 1.00 0.00 O ATOM 0 H GLU A 46 2.797 -11.823 2.641 1.00 0.00 H new ATOM 0 HA GLU A 46 1.663 -14.464 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.768 -12.975 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.254 -13.097 1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.348 -14.707 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.218 -15.586 0.906 1.00 0.00 H new ATOM 682 N TYR A 47 3.053 -15.811 3.608 1.00 0.00 N ATOM 683 CA TYR A 47 3.643 -16.532 4.727 1.00 0.00 C ATOM 684 C TYR A 47 3.735 -18.025 4.427 1.00 0.00 C ATOM 685 O TYR A 47 3.075 -18.510 3.512 1.00 0.00 O ATOM 686 CB TYR A 47 2.809 -16.287 5.992 1.00 0.00 C ATOM 687 CG TYR A 47 1.468 -17.004 6.003 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.405 -16.525 5.217 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.330 -18.228 6.687 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.779 -17.272 5.097 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.139 -18.965 6.578 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.907 -18.498 5.767 1.00 0.00 C ATOM 693 OH TYR A 47 -2.046 -19.235 5.620 1.00 0.00 O ATOM 0 H TYR A 47 2.388 -16.366 3.069 1.00 0.00 H new ATOM 0 HA TYR A 47 4.656 -16.163 4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.385 -16.605 6.861 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.637 -15.216 6.098 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.499 -15.579 4.704 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.141 -18.600 7.296 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.591 -16.902 4.489 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.028 -19.893 7.119 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.974 -20.057 6.149 1.00 0.00 H new ATOM 703 N ASP A 48 4.542 -18.747 5.215 1.00 0.00 N ATOM 704 CA ASP A 48 4.685 -20.195 5.141 1.00 0.00 C ATOM 705 C ASP A 48 3.868 -20.841 6.272 1.00 0.00 C ATOM 706 O ASP A 48 4.220 -20.651 7.437 1.00 0.00 O ATOM 707 CB ASP A 48 6.173 -20.556 5.237 1.00 0.00 C ATOM 708 CG ASP A 48 6.461 -22.022 4.905 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.595 -22.873 5.204 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.556 -22.269 4.355 1.00 0.00 O ATOM 0 H ASP A 48 5.125 -18.324 5.937 1.00 0.00 H new ATOM 0 HA ASP A 48 4.305 -20.573 4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.739 -19.919 4.558 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.528 -20.342 6.245 1.00 0.00 H new ATOM 715 N PRO A 49 2.805 -21.609 5.956 1.00 0.00 N ATOM 716 CA PRO A 49 2.010 -22.376 6.914 1.00 0.00 C ATOM 717 C PRO A 49 2.821 -23.194 7.922 1.00 0.00 C ATOM 718 O PRO A 49 2.408 -23.336 9.071 1.00 0.00 O ATOM 719 CB PRO A 49 1.120 -23.290 6.069 1.00 0.00 C ATOM 720 CG PRO A 49 0.899 -22.462 4.810 1.00 0.00 C ATOM 721 CD PRO A 49 2.257 -21.788 4.620 1.00 0.00 C ATOM 0 HA PRO A 49 1.449 -21.683 7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.607 -24.240 5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.181 -23.521 6.573 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.631 -23.084 3.956 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.098 -21.734 4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.916 -22.403 4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.150 -20.830 4.111 1.00 0.00 H new ATOM 729 N LEU A 50 3.965 -23.740 7.497 1.00 0.00 N ATOM 730 CA LEU A 50 4.809 -24.588 8.328 1.00 0.00 C ATOM 731 C LEU A 50 5.445 -23.803 9.484 1.00 0.00 C ATOM 732 O LEU A 50 5.711 -24.384 10.534 1.00 0.00 O ATOM 733 CB LEU A 50 5.893 -25.253 7.467 1.00 0.00 C ATOM 734 CG LEU A 50 5.347 -26.060 6.275 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.524 -26.575 5.439 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.487 -27.246 6.728 1.00 0.00 C ATOM 0 H LEU A 50 4.330 -23.601 6.555 1.00 0.00 H new ATOM 0 HA LEU A 50 4.178 -25.359 8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.566 -24.482 7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.487 -25.915 8.098 1.00 0.00 H new ATOM 0 HG LEU A 50 4.713 -25.400 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.146 -27.148 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.108 -25.730 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.156 -27.214 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.123 -27.786 5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.086 -27.915 7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.639 -26.880 7.307 1.00 0.00 H new ATOM 748 N LEU A 51 5.694 -22.499 9.292 1.00 0.00 N ATOM 749 CA LEU A 51 6.385 -21.649 10.255 1.00 0.00 C ATOM 750 C LEU A 51 5.383 -20.819 11.062 1.00 0.00 C ATOM 751 O LEU A 51 5.505 -20.745 12.284 1.00 0.00 O ATOM 752 CB LEU A 51 7.367 -20.721 9.524 1.00 0.00 C ATOM 753 CG LEU A 51 8.711 -21.341 9.099 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.589 -21.707 10.301 1.00 0.00 C ATOM 755 CD2 LEU A 51 8.555 -22.554 8.177 1.00 0.00 C ATOM 0 H LEU A 51 5.413 -22.003 8.446 1.00 0.00 H new ATOM 0 HA LEU A 51 6.938 -22.287 10.944 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.872 -20.335 8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.574 -19.867 10.169 1.00 0.00 H new ATOM 0 HG LEU A 51 9.211 -20.559 8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.525 -22.140 9.949 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.801 -20.810 10.884 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.066 -22.431 10.926 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.540 -22.942 7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.984 -23.329 8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.030 -22.256 7.269 1.00 0.00 H new ATOM 767 N THR A 52 4.410 -20.187 10.391 1.00 0.00 N ATOM 768 CA THR A 52 3.411 -19.326 11.020 1.00 0.00 C ATOM 769 C THR A 52 2.034 -19.582 10.405 1.00 0.00 C ATOM 770 O THR A 52 1.893 -20.441 9.538 1.00 0.00 O ATOM 771 CB THR A 52 3.862 -17.858 10.931 1.00 0.00 C ATOM 772 OG1 THR A 52 3.068 -17.042 11.768 1.00 0.00 O ATOM 773 CG2 THR A 52 3.806 -17.311 9.502 1.00 0.00 C ATOM 0 H THR A 52 4.297 -20.264 9.380 1.00 0.00 H new ATOM 0 HA THR A 52 3.320 -19.561 12.080 1.00 0.00 H new ATOM 0 HB THR A 52 4.901 -17.835 11.261 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.370 -16.112 11.700 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.135 -16.272 9.497 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.460 -17.901 8.860 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.783 -17.370 9.130 1.00 0.00 H new ATOM 781 N SER A 53 1.013 -18.849 10.865 1.00 0.00 N ATOM 782 CA SER A 53 -0.378 -19.062 10.482 1.00 0.00 C ATOM 783 C SER A 53 -1.141 -17.732 10.489 1.00 0.00 C ATOM 784 O SER A 53 -0.677 -16.779 11.114 1.00 0.00 O ATOM 785 CB SER A 53 -1.011 -20.067 11.453 1.00 0.00 C ATOM 786 OG SER A 53 -1.098 -19.508 12.747 1.00 0.00 O ATOM 0 H SER A 53 1.138 -18.080 11.524 1.00 0.00 H new ATOM 0 HA SER A 53 -0.427 -19.465 9.470 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.005 -20.346 11.102 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.415 -20.979 11.483 1.00 0.00 H new ATOM 0 HG SER A 53 -1.759 -20.004 13.274 1.00 0.00 H new ATOM 792 N PRO A 54 -2.307 -17.646 9.822 1.00 0.00 N ATOM 793 CA PRO A 54 -3.137 -16.449 9.805 1.00 0.00 C ATOM 794 C PRO A 54 -3.429 -15.913 11.206 1.00 0.00 C ATOM 795 O PRO A 54 -3.240 -14.725 11.455 1.00 0.00 O ATOM 796 CB PRO A 54 -4.422 -16.844 9.070 1.00 0.00 C ATOM 797 CG PRO A 54 -3.942 -17.945 8.130 1.00 0.00 C ATOM 798 CD PRO A 54 -2.921 -18.677 8.998 1.00 0.00 C ATOM 0 HA PRO A 54 -2.621 -15.631 9.302 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.188 -17.203 9.757 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.852 -16.004 8.524 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.756 -18.599 7.818 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.492 -17.541 7.223 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.401 -19.438 9.613 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.177 -19.186 8.385 1.00 0.00 H new ATOM 806 N GLU A 55 -3.884 -16.782 12.118 1.00 0.00 N ATOM 807 CA GLU A 55 -4.250 -16.389 13.471 1.00 0.00 C ATOM 808 C GLU A 55 -3.035 -15.931 14.288 1.00 0.00 C ATOM 809 O GLU A 55 -3.172 -15.037 15.121 1.00 0.00 O ATOM 810 CB GLU A 55 -5.080 -17.490 14.150 1.00 0.00 C ATOM 811 CG GLU A 55 -4.346 -18.815 14.410 1.00 0.00 C ATOM 812 CD GLU A 55 -3.370 -18.761 15.586 1.00 0.00 C ATOM 813 OE1 GLU A 55 -3.702 -18.091 16.588 1.00 0.00 O ATOM 814 OE2 GLU A 55 -2.302 -19.399 15.462 1.00 0.00 O ATOM 0 H GLU A 55 -4.006 -17.777 11.931 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.893 -15.511 13.414 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.448 -17.107 15.102 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.953 -17.695 13.530 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.082 -19.597 14.597 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.800 -19.100 13.510 1.00 0.00 H new ATOM 821 N THR A 56 -1.854 -16.518 14.049 1.00 0.00 N ATOM 822 CA THR A 56 -0.617 -16.089 14.693 1.00 0.00 C ATOM 823 C THR A 56 -0.272 -14.667 14.247 1.00 0.00 C ATOM 824 O THR A 56 0.019 -13.814 15.083 1.00 0.00 O ATOM 825 CB THR A 56 0.524 -17.069 14.375 1.00 0.00 C ATOM 826 OG1 THR A 56 0.224 -18.351 14.884 1.00 0.00 O ATOM 827 CG2 THR A 56 1.852 -16.620 14.994 1.00 0.00 C ATOM 0 H THR A 56 -1.735 -17.300 13.405 1.00 0.00 H new ATOM 0 HA THR A 56 -0.755 -16.087 15.774 1.00 0.00 H new ATOM 0 HB THR A 56 0.622 -17.094 13.290 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.257 -18.868 14.205 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.631 -17.340 14.745 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.124 -15.641 14.601 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.746 -16.559 16.077 1.00 0.00 H new ATOM 835 N LEU A 57 -0.307 -14.416 12.933 1.00 0.00 N ATOM 836 CA LEU A 57 -0.008 -13.112 12.355 1.00 0.00 C ATOM 837 C LEU A 57 -1.002 -12.062 12.853 1.00 0.00 C ATOM 838 O LEU A 57 -0.592 -10.984 13.277 1.00 0.00 O ATOM 839 CB LEU A 57 -0.009 -13.209 10.823 1.00 0.00 C ATOM 840 CG LEU A 57 1.117 -14.106 10.278 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.820 -14.473 8.821 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.484 -13.417 10.363 1.00 0.00 C ATOM 0 H LEU A 57 -0.547 -15.124 12.239 1.00 0.00 H new ATOM 0 HA LEU A 57 0.985 -12.797 12.675 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.971 -13.599 10.489 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.093 -12.209 10.401 1.00 0.00 H new ATOM 0 HG LEU A 57 1.155 -15.005 10.893 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.618 -15.108 8.436 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.128 -15.008 8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.759 -13.564 8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.252 -14.082 9.969 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.465 -12.498 9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.708 -13.180 11.403 1.00 0.00 H new ATOM 854 N ARG A 58 -2.302 -12.379 12.827 1.00 0.00 N ATOM 855 CA ARG A 58 -3.358 -11.540 13.381 1.00 0.00 C ATOM 856 C ARG A 58 -3.043 -11.203 14.844 1.00 0.00 C ATOM 857 O ARG A 58 -3.130 -10.045 15.247 1.00 0.00 O ATOM 858 CB ARG A 58 -4.700 -12.277 13.251 1.00 0.00 C ATOM 859 CG ARG A 58 -5.897 -11.368 13.565 1.00 0.00 C ATOM 860 CD ARG A 58 -6.999 -12.130 14.307 1.00 0.00 C ATOM 861 NE ARG A 58 -6.537 -12.575 15.629 1.00 0.00 N ATOM 862 CZ ARG A 58 -6.371 -11.776 16.698 1.00 0.00 C ATOM 863 NH1 ARG A 58 -6.698 -10.476 16.650 1.00 0.00 N ATOM 864 NH2 ARG A 58 -5.871 -12.287 17.830 1.00 0.00 N ATOM 0 H ARG A 58 -2.650 -13.243 12.411 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.421 -10.601 12.831 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.800 -12.669 12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.709 -13.132 13.927 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.566 -10.524 14.170 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.297 -10.958 12.638 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.874 -11.490 14.421 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.309 -12.993 13.717 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.326 -13.566 15.745 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.080 -10.078 15.792 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.565 -9.886 17.471 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.620 -13.274 17.876 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.741 -11.689 18.646 1.00 0.00 H new ATOM 878 N GLY A 59 -2.653 -12.219 15.624 1.00 0.00 N ATOM 879 CA GLY A 59 -2.216 -12.078 17.004 1.00 0.00 C ATOM 880 C GLY A 59 -1.036 -11.114 17.144 1.00 0.00 C ATOM 881 O GLY A 59 -1.025 -10.303 18.065 1.00 0.00 O ATOM 0 H GLY A 59 -2.635 -13.185 15.296 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.048 -11.721 17.611 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.932 -13.055 17.395 1.00 0.00 H new ATOM 885 N ALA A 60 -0.047 -11.195 16.243 1.00 0.00 N ATOM 886 CA ALA A 60 1.125 -10.328 16.261 1.00 0.00 C ATOM 887 C ALA A 60 0.729 -8.864 16.047 1.00 0.00 C ATOM 888 O ALA A 60 1.176 -7.996 16.793 1.00 0.00 O ATOM 889 CB ALA A 60 2.147 -10.790 15.218 1.00 0.00 C ATOM 0 H ALA A 60 -0.044 -11.871 15.479 1.00 0.00 H new ATOM 0 HA ALA A 60 1.591 -10.398 17.244 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.016 -10.133 15.244 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.458 -11.811 15.440 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.696 -10.756 14.226 1.00 0.00 H new ATOM 895 N ILE A 61 -0.118 -8.589 15.048 1.00 0.00 N ATOM 896 CA ILE A 61 -0.651 -7.251 14.811 1.00 0.00 C ATOM 897 C ILE A 61 -1.406 -6.757 16.051 1.00 0.00 C ATOM 898 O ILE A 61 -1.239 -5.611 16.466 1.00 0.00 O ATOM 899 CB ILE A 61 -1.577 -7.250 13.581 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.906 -7.716 12.277 1.00 0.00 C ATOM 901 CG2 ILE A 61 -2.181 -5.855 13.388 1.00 0.00 C ATOM 902 CD1 ILE A 61 0.160 -6.760 11.745 1.00 0.00 C ATOM 0 H ILE A 61 -0.450 -9.289 14.385 1.00 0.00 H new ATOM 0 HA ILE A 61 0.180 -6.574 14.615 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.355 -7.984 13.792 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.451 -8.692 12.444 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.673 -7.848 11.514 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.836 -5.859 12.516 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.756 -5.582 14.273 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.381 -5.130 13.238 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.583 -7.162 10.825 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.291 -5.788 11.543 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.950 -6.646 12.488 1.00 0.00 H new ATOM 914 N GLU A 62 -2.237 -7.625 16.639 1.00 0.00 N ATOM 915 CA GLU A 62 -3.016 -7.305 17.824 1.00 0.00 C ATOM 916 C GLU A 62 -2.103 -6.968 19.007 1.00 0.00 C ATOM 917 O GLU A 62 -2.400 -6.050 19.769 1.00 0.00 O ATOM 918 CB GLU A 62 -3.973 -8.466 18.136 1.00 0.00 C ATOM 919 CG GLU A 62 -5.153 -8.024 19.010 1.00 0.00 C ATOM 920 CD GLU A 62 -6.065 -7.036 18.282 1.00 0.00 C ATOM 921 OE1 GLU A 62 -6.599 -7.426 17.220 1.00 0.00 O ATOM 922 OE2 GLU A 62 -6.211 -5.907 18.797 1.00 0.00 O ATOM 0 H GLU A 62 -2.384 -8.575 16.297 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.616 -6.415 17.635 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.351 -8.884 17.203 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.425 -9.260 18.643 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.731 -8.899 19.309 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.776 -7.564 19.923 1.00 0.00 H new ATOM 929 N ASP A 63 -0.988 -7.696 19.145 1.00 0.00 N ATOM 930 CA ASP A 63 0.020 -7.467 20.170 1.00 0.00 C ATOM 931 C ASP A 63 0.694 -6.106 19.980 1.00 0.00 C ATOM 932 O ASP A 63 0.885 -5.386 20.959 1.00 0.00 O ATOM 933 CB ASP A 63 1.040 -8.612 20.161 1.00 0.00 C ATOM 934 CG ASP A 63 2.090 -8.435 21.255 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.769 -8.778 22.413 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.195 -7.958 20.912 1.00 0.00 O ATOM 0 H ASP A 63 -0.763 -8.477 18.529 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.464 -7.450 21.147 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.524 -9.562 20.301 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.530 -8.656 19.188 1.00 0.00 H new ATOM 941 N MET A 64 1.041 -5.744 18.735 1.00 0.00 N ATOM 942 CA MET A 64 1.562 -4.416 18.423 1.00 0.00 C ATOM 943 C MET A 64 0.552 -3.336 18.825 1.00 0.00 C ATOM 944 O MET A 64 0.946 -2.314 19.384 1.00 0.00 O ATOM 945 CB MET A 64 1.943 -4.295 16.942 1.00 0.00 C ATOM 946 CG MET A 64 3.171 -5.143 16.594 1.00 0.00 C ATOM 947 SD MET A 64 3.756 -4.972 14.886 1.00 0.00 S ATOM 948 CE MET A 64 4.418 -3.286 14.950 1.00 0.00 C ATOM 0 H MET A 64 0.967 -6.362 17.927 1.00 0.00 H new ATOM 0 HA MET A 64 2.472 -4.267 19.004 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.101 -4.606 16.324 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.144 -3.251 16.704 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.983 -4.875 17.270 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.935 -6.191 16.779 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.021 -3.098 14.062 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.594 -2.573 14.987 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.037 -3.172 15.840 1.00 0.00 H new ATOM 958 N GLY A 65 -0.740 -3.574 18.560 1.00 0.00 N ATOM 959 CA GLY A 65 -1.837 -2.760 19.064 1.00 0.00 C ATOM 960 C GLY A 65 -2.666 -2.161 17.935 1.00 0.00 C ATOM 961 O GLY A 65 -2.814 -0.942 17.864 1.00 0.00 O ATOM 0 H GLY A 65 -1.050 -4.353 17.979 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.478 -3.369 19.701 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.438 -1.959 19.686 1.00 0.00 H new ATOM 965 N PHE A 66 -3.219 -3.020 17.070 1.00 0.00 N ATOM 966 CA PHE A 66 -4.160 -2.630 16.028 1.00 0.00 C ATOM 967 C PHE A 66 -5.250 -3.695 15.932 1.00 0.00 C ATOM 968 O PHE A 66 -4.975 -4.876 16.137 1.00 0.00 O ATOM 969 CB PHE A 66 -3.439 -2.455 14.688 1.00 0.00 C ATOM 970 CG PHE A 66 -2.236 -1.536 14.737 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.425 -0.143 14.731 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.945 -2.067 14.919 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.329 0.718 14.901 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.153 -1.205 15.087 1.00 0.00 C ATOM 975 CZ PHE A 66 -0.039 0.188 15.077 1.00 0.00 C ATOM 0 H PHE A 66 -3.018 -4.020 17.080 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.614 -1.671 16.279 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.118 -3.434 14.332 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.148 -2.066 13.957 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.415 0.266 14.595 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.798 -3.137 14.930 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.477 1.788 14.897 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.144 -1.613 15.224 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.804 0.850 15.205 1.00 0.00 H new ATOM 985 N ASP A 67 -6.484 -3.277 15.630 1.00 0.00 N ATOM 986 CA ASP A 67 -7.649 -4.150 15.608 1.00 0.00 C ATOM 987 C ASP A 67 -7.596 -5.043 14.369 1.00 0.00 C ATOM 988 O ASP A 67 -8.084 -4.664 13.305 1.00 0.00 O ATOM 989 CB ASP A 67 -8.928 -3.307 15.651 1.00 0.00 C ATOM 990 CG ASP A 67 -9.000 -2.454 16.915 1.00 0.00 C ATOM 991 OD1 ASP A 67 -9.460 -2.996 17.942 1.00 0.00 O ATOM 992 OD2 ASP A 67 -8.591 -1.276 16.829 1.00 0.00 O ATOM 0 H ASP A 67 -6.698 -2.309 15.392 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.649 -4.796 16.486 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.968 -2.661 14.774 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.798 -3.963 15.604 1.00 0.00 H new ATOM 997 N ALA A 68 -6.987 -6.224 14.524 1.00 0.00 N ATOM 998 CA ALA A 68 -6.726 -7.175 13.456 1.00 0.00 C ATOM 999 C ALA A 68 -7.773 -8.286 13.466 1.00 0.00 C ATOM 1000 O ALA A 68 -7.987 -8.912 14.503 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.327 -7.753 13.647 1.00 0.00 C ATOM 0 H ALA A 68 -6.653 -6.548 15.432 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.783 -6.671 12.491 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.117 -8.469 12.852 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.593 -6.948 13.613 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.270 -8.256 14.612 1.00 0.00 H new ATOM 1007 N THR A 69 -8.405 -8.532 12.311 1.00 0.00 N ATOM 1008 CA THR A 69 -9.390 -9.590 12.121 1.00 0.00 C ATOM 1009 C THR A 69 -9.238 -10.146 10.706 1.00 0.00 C ATOM 1010 O THR A 69 -9.187 -9.380 9.747 1.00 0.00 O ATOM 1011 CB THR A 69 -10.803 -9.031 12.353 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.891 -8.460 13.643 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.871 -10.124 12.235 1.00 0.00 C ATOM 0 H THR A 69 -8.237 -7.985 11.467 1.00 0.00 H new ATOM 0 HA THR A 69 -9.230 -10.396 12.837 1.00 0.00 H new ATOM 0 HB THR A 69 -10.982 -8.277 11.586 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.794 -8.105 13.783 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.856 -9.690 12.405 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.835 -10.562 11.237 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.682 -10.899 12.978 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.167 -11.475 10.569 1.00 0.00 N ATOM 1022 CA LEU A 70 -8.986 -12.142 9.284 1.00 0.00 C ATOM 1023 C LEU A 70 -10.174 -11.899 8.350 1.00 0.00 C ATOM 1024 O LEU A 70 -11.276 -11.585 8.801 1.00 0.00 O ATOM 1025 CB LEU A 70 -8.802 -13.651 9.501 1.00 0.00 C ATOM 1026 CG LEU A 70 -7.591 -14.015 10.374 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -7.531 -15.537 10.540 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.285 -13.513 9.751 1.00 0.00 C ATOM 0 H LEU A 70 -9.235 -12.119 11.357 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.096 -11.724 8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.704 -14.054 9.963 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.696 -14.137 8.531 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.707 -13.534 11.345 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.674 -15.802 11.159 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.446 -15.887 11.018 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.431 -16.006 9.561 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.447 -13.786 10.393 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.153 -13.966 8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.324 -12.429 9.648 1.00 0.00 H new ATOM 1040 N SER A 71 -9.944 -12.063 7.042 1.00 0.00 N ATOM 1041 CA SER A 71 -10.982 -12.027 6.022 1.00 0.00 C ATOM 1042 C SER A 71 -11.753 -13.354 6.029 1.00 0.00 C ATOM 1043 O SER A 71 -11.677 -14.128 5.075 1.00 0.00 O ATOM 1044 CB SER A 71 -10.332 -11.740 4.662 1.00 0.00 C ATOM 1045 OG SER A 71 -9.365 -12.726 4.361 1.00 0.00 O ATOM 0 H SER A 71 -9.012 -12.227 6.663 1.00 0.00 H new ATOM 0 HA SER A 71 -11.700 -11.232 6.227 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.095 -11.720 3.884 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.865 -10.755 4.675 1.00 0.00 H new ATOM 0 HG SER A 71 -9.774 -13.614 4.421 1.00 0.00 H new ATOM 1051 N ASP A 72 -12.485 -13.612 7.118 1.00 0.00 N ATOM 1052 CA ASP A 72 -13.232 -14.839 7.339 1.00 0.00 C ATOM 1053 C ASP A 72 -14.305 -14.579 8.396 1.00 0.00 C ATOM 1054 O ASP A 72 -13.965 -13.915 9.399 1.00 0.00 O ATOM 1055 CB ASP A 72 -12.275 -15.950 7.790 1.00 0.00 C ATOM 1056 CG ASP A 72 -13.011 -17.263 8.039 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -13.421 -17.884 7.034 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -13.149 -17.627 9.227 1.00 0.00 O ATOM 1059 OXT ASP A 72 -15.444 -15.048 8.181 1.00 0.00 O ATOM 0 H ASP A 72 -12.572 -12.949 7.888 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.715 -15.160 6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.509 -16.101 7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.763 -15.641 8.701 1.00 0.00 H new TER 1064 ASP A 72