USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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: C 80 MET CE :methyl -127:sc= -1.31 (180deg=-1.25) USER MOD Set 1.2: C 81 MET CE :methyl 178:sc= -0.341 (180deg=0) USER MOD Set 1.3: I 121 MET CE :methyl 147:sc= -1.23 (180deg=-2.26!) USER MOD Set 2.1: C 69 SER OG : rot -119:sc= 0.702 USER MOD Set 2.2: C 71 THR OG1 : rot -160:sc= -1.19 USER MOD Single : C 1 MET CE :methyl 130:sc= -0.171 (180deg=-1.28) USER MOD Single : C 1 MET N :NH3+ -137:sc= 0.105 (180deg=-0.322) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.303) USER MOD Single : C 11 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.6) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.383 USER MOD Single : C 16 GLN : amide:sc= -0.0704 X(o=-0.07,f=-0.38) USER MOD Single : C 17 LYS NZ :NH3+ 159:sc= -0.282 (180deg=-1.23) USER MOD Single : C 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 21 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.126) USER MOD Single : C 35 CYS SG : rot -79:sc= -0.072 USER MOD Single : C 37 SER OG : rot -59:sc= 0.481 USER MOD Single : C 38 THR OG1 : rot -136:sc= -18.6! USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.254) USER MOD Single : C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl -108:sc= -0.03 (180deg=-0.312) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : C 51 ASN :FLIP amide:sc= -2.17! C(o=-2.7!,f=-2.2!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.458 USER MOD Single : C 58 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.079) USER MOD Single : C 60 MET CE :methyl -152:sc= -0.318 (180deg=-1.85!) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 57.188 -13.869 22.105 1.00 0.00 N ATOM 2 CA MET C 1 56.659 -13.039 20.986 1.00 0.00 C ATOM 3 C MET C 1 56.628 -13.872 19.709 1.00 0.00 C ATOM 4 O MET C 1 56.912 -15.069 19.730 1.00 0.00 O ATOM 5 CB MET C 1 57.559 -11.817 20.791 1.00 0.00 C ATOM 6 CG MET C 1 57.503 -10.936 22.040 1.00 0.00 C ATOM 7 SD MET C 1 58.421 -9.405 21.741 1.00 0.00 S ATOM 8 CE MET C 1 57.263 -8.673 20.559 1.00 0.00 C ATOM 0 H1 MET C 1 56.616 -13.707 22.958 1.00 0.00 H new ATOM 0 H2 MET C 1 57.142 -14.874 21.843 1.00 0.00 H new ATOM 0 H3 MET C 1 58.176 -13.606 22.295 1.00 0.00 H new ATOM 0 HA MET C 1 55.648 -12.705 21.220 1.00 0.00 H new ATOM 0 HB2 MET C 1 58.585 -12.134 20.603 1.00 0.00 H new ATOM 0 HB3 MET C 1 57.236 -11.250 19.918 1.00 0.00 H new ATOM 0 HG2 MET C 1 56.467 -10.708 22.291 1.00 0.00 H new ATOM 0 HG3 MET C 1 57.928 -11.467 22.892 1.00 0.00 H new ATOM 0 HE1 MET C 1 57.036 -7.650 20.858 1.00 0.00 H new ATOM 0 HE2 MET C 1 57.711 -8.670 19.565 1.00 0.00 H new ATOM 0 HE3 MET C 1 56.344 -9.258 20.540 1.00 0.00 H new ATOM 20 N ASP C 2 56.280 -13.230 18.598 1.00 0.00 N ATOM 21 CA ASP C 2 56.215 -13.922 17.317 1.00 0.00 C ATOM 22 C ASP C 2 56.621 -12.987 16.182 1.00 0.00 C ATOM 23 O ASP C 2 57.217 -11.936 16.414 1.00 0.00 O ATOM 24 CB ASP C 2 54.795 -14.438 17.073 1.00 0.00 C ATOM 25 CG ASP C 2 54.796 -15.444 15.927 1.00 0.00 C ATOM 26 OD1 ASP C 2 55.873 -15.807 15.484 1.00 0.00 O ATOM 27 OD2 ASP C 2 53.719 -15.838 15.510 1.00 0.00 O ATOM 0 H ASP C 2 56.041 -12.239 18.559 1.00 0.00 H new ATOM 0 HA ASP C 2 56.907 -14.764 17.344 1.00 0.00 H new ATOM 0 HB2 ASP C 2 54.409 -14.906 17.978 1.00 0.00 H new ATOM 0 HB3 ASP C 2 54.132 -13.606 16.837 1.00 0.00 H new ATOM 32 N ASP C 3 56.293 -13.378 14.954 1.00 0.00 N ATOM 33 CA ASP C 3 56.629 -12.566 13.790 1.00 0.00 C ATOM 34 C ASP C 3 55.370 -12.196 13.014 1.00 0.00 C ATOM 35 O ASP C 3 54.952 -12.918 12.109 1.00 0.00 O ATOM 36 CB ASP C 3 57.586 -13.335 12.877 1.00 0.00 C ATOM 37 CG ASP C 3 58.894 -13.616 13.610 1.00 0.00 C ATOM 38 OD1 ASP C 3 59.116 -13.002 14.640 1.00 0.00 O ATOM 39 OD2 ASP C 3 59.653 -14.442 13.130 1.00 0.00 O ATOM 0 H ASP C 3 55.799 -14.245 14.740 1.00 0.00 H new ATOM 0 HA ASP C 3 57.111 -11.651 14.135 1.00 0.00 H new ATOM 0 HB2 ASP C 3 57.127 -14.272 12.563 1.00 0.00 H new ATOM 0 HB3 ASP C 3 57.783 -12.758 11.974 1.00 0.00 H new ATOM 44 N ILE C 4 54.770 -11.066 13.374 1.00 0.00 N ATOM 45 CA ILE C 4 53.558 -10.609 12.704 1.00 0.00 C ATOM 46 C ILE C 4 53.897 -9.963 11.365 1.00 0.00 C ATOM 47 O ILE C 4 53.018 -9.737 10.533 1.00 0.00 O ATOM 48 CB ILE C 4 52.821 -9.601 13.587 1.00 0.00 C ATOM 49 CG1 ILE C 4 52.443 -10.266 14.912 1.00 0.00 C ATOM 50 CG2 ILE C 4 51.552 -9.129 12.875 1.00 0.00 C ATOM 51 CD1 ILE C 4 51.915 -9.208 15.883 1.00 0.00 C ATOM 0 H ILE C 4 55.100 -10.454 14.120 1.00 0.00 H new ATOM 0 HA ILE C 4 52.917 -11.472 12.526 1.00 0.00 H new ATOM 0 HB ILE C 4 53.469 -8.746 13.780 1.00 0.00 H new ATOM 0 HG12 ILE C 4 51.685 -11.031 14.744 1.00 0.00 H new ATOM 0 HG13 ILE C 4 53.311 -10.767 15.340 1.00 0.00 H new ATOM 0 HG21 ILE C 4 51.027 -8.411 13.505 1.00 0.00 H new ATOM 0 HG22 ILE C 4 51.819 -8.656 11.930 1.00 0.00 H new ATOM 0 HG23 ILE C 4 50.904 -9.984 12.682 1.00 0.00 H new ATOM 0 HD11 ILE C 4 51.646 -9.682 16.827 1.00 0.00 H new ATOM 0 HD12 ILE C 4 52.687 -8.459 16.060 1.00 0.00 H new ATOM 0 HD13 ILE C 4 51.035 -8.728 15.455 1.00 0.00 H new ATOM 63 N TYR C 5 55.177 -9.667 11.164 1.00 0.00 N ATOM 64 CA TYR C 5 55.622 -9.047 9.921 1.00 0.00 C ATOM 65 C TYR C 5 56.211 -10.093 8.980 1.00 0.00 C ATOM 66 O TYR C 5 55.852 -10.157 7.804 1.00 0.00 O ATOM 67 CB TYR C 5 56.673 -7.976 10.219 1.00 0.00 C ATOM 68 CG TYR C 5 56.258 -7.188 11.438 1.00 0.00 C ATOM 69 CD1 TYR C 5 55.212 -6.262 11.350 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.920 -7.384 12.656 1.00 0.00 C ATOM 71 CE1 TYR C 5 54.828 -5.531 12.481 1.00 0.00 C ATOM 72 CE2 TYR C 5 56.536 -6.653 13.787 1.00 0.00 C ATOM 73 CZ TYR C 5 55.489 -5.727 13.699 1.00 0.00 C ATOM 74 OH TYR C 5 55.110 -5.007 14.814 1.00 0.00 O ATOM 0 H TYR C 5 55.920 -9.845 11.840 1.00 0.00 H new ATOM 0 HA TYR C 5 54.760 -8.586 9.438 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.644 -8.441 10.387 1.00 0.00 H new ATOM 0 HB3 TYR C 5 56.782 -7.311 9.363 1.00 0.00 H new ATOM 0 HD1 TYR C 5 54.701 -6.111 10.410 1.00 0.00 H new ATOM 0 HD2 TYR C 5 57.727 -8.099 12.723 1.00 0.00 H new ATOM 0 HE1 TYR C 5 54.022 -4.816 12.413 1.00 0.00 H new ATOM 0 HE2 TYR C 5 57.047 -6.803 14.727 1.00 0.00 H new ATOM 0 HH TYR C 5 55.670 -5.265 15.576 1.00 0.00 H new ATOM 84 N LYS C 6 57.116 -10.912 9.506 1.00 0.00 N ATOM 85 CA LYS C 6 57.749 -11.952 8.704 1.00 0.00 C ATOM 86 C LYS C 6 56.712 -12.964 8.226 1.00 0.00 C ATOM 87 O LYS C 6 56.893 -13.613 7.195 1.00 0.00 O ATOM 88 CB LYS C 6 58.822 -12.667 9.527 1.00 0.00 C ATOM 89 CG LYS C 6 60.015 -13.003 8.630 1.00 0.00 C ATOM 90 CD LYS C 6 59.558 -13.920 7.494 1.00 0.00 C ATOM 91 CE LYS C 6 60.766 -14.659 6.916 1.00 0.00 C ATOM 92 NZ LYS C 6 61.804 -13.671 6.507 1.00 0.00 N ATOM 0 H LYS C 6 57.426 -10.876 10.477 1.00 0.00 H new ATOM 0 HA LYS C 6 58.211 -11.484 7.835 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.143 -12.034 10.354 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.413 -13.579 9.963 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.446 -12.088 8.222 1.00 0.00 H new ATOM 0 HG3 LYS C 6 60.796 -13.491 9.213 1.00 0.00 H new ATOM 0 HD2 LYS C 6 58.823 -14.636 7.863 1.00 0.00 H new ATOM 0 HD3 LYS C 6 59.069 -13.335 6.715 1.00 0.00 H new ATOM 0 HE2 LYS C 6 61.174 -15.346 7.657 1.00 0.00 H new ATOM 0 HE3 LYS C 6 60.462 -15.259 6.058 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 62.474 -14.122 5.852 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 61.348 -12.864 6.035 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 62.315 -13.336 7.349 1.00 0.00 H new ATOM 106 N ALA C 7 55.627 -13.094 8.982 1.00 0.00 N ATOM 107 CA ALA C 7 54.568 -14.031 8.626 1.00 0.00 C ATOM 108 C ALA C 7 53.719 -13.472 7.488 1.00 0.00 C ATOM 109 O ALA C 7 53.423 -14.172 6.520 1.00 0.00 O ATOM 110 CB ALA C 7 53.680 -14.303 9.842 1.00 0.00 C ATOM 0 H ALA C 7 55.458 -12.567 9.839 1.00 0.00 H new ATOM 0 HA ALA C 7 55.028 -14.963 8.297 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.892 -15.004 9.567 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.282 -14.730 10.644 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.233 -13.369 10.182 1.00 0.00 H new ATOM 116 N ALA C 8 53.330 -12.207 7.613 1.00 0.00 N ATOM 117 CA ALA C 8 52.515 -11.565 6.588 1.00 0.00 C ATOM 118 C ALA C 8 53.214 -11.622 5.234 1.00 0.00 C ATOM 119 O ALA C 8 52.613 -12.007 4.230 1.00 0.00 O ATOM 120 CB ALA C 8 52.253 -10.106 6.968 1.00 0.00 C ATOM 0 H ALA C 8 53.564 -11.611 8.407 1.00 0.00 H new ATOM 0 HA ALA C 8 51.567 -12.098 6.517 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.644 -9.633 6.198 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.727 -10.067 7.922 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.202 -9.577 7.056 1.00 0.00 H new ATOM 126 N VAL C 9 54.486 -11.238 5.213 1.00 0.00 N ATOM 127 CA VAL C 9 55.257 -11.250 3.975 1.00 0.00 C ATOM 128 C VAL C 9 55.057 -12.566 3.232 1.00 0.00 C ATOM 129 O VAL C 9 54.663 -12.578 2.066 1.00 0.00 O ATOM 130 CB VAL C 9 56.742 -11.057 4.284 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.568 -11.362 3.034 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.988 -9.609 4.715 1.00 0.00 C ATOM 0 H VAL C 9 55.002 -10.917 6.032 1.00 0.00 H new ATOM 0 HA VAL C 9 54.908 -10.433 3.343 1.00 0.00 H new ATOM 0 HB VAL C 9 57.036 -11.732 5.087 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.626 -11.224 3.255 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.393 -12.392 2.725 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.274 -10.687 2.230 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.046 -9.470 4.936 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.693 -8.935 3.911 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.400 -9.390 5.606 1.00 0.00 H new ATOM 142 N GLU C 10 55.331 -13.673 3.915 1.00 0.00 N ATOM 143 CA GLU C 10 55.177 -14.991 3.309 1.00 0.00 C ATOM 144 C GLU C 10 53.726 -15.229 2.906 1.00 0.00 C ATOM 145 O GLU C 10 53.446 -15.974 1.967 1.00 0.00 O ATOM 146 CB GLU C 10 55.620 -16.074 4.294 1.00 0.00 C ATOM 147 CG GLU C 10 55.653 -17.428 3.584 1.00 0.00 C ATOM 148 CD GLU C 10 56.021 -18.528 4.574 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.217 -18.210 5.736 1.00 0.00 O ATOM 150 OE2 GLU C 10 56.101 -19.671 4.157 1.00 0.00 O ATOM 0 H GLU C 10 55.658 -13.685 4.881 1.00 0.00 H new ATOM 0 HA GLU C 10 55.802 -15.035 2.417 1.00 0.00 H new ATOM 0 HB2 GLU C 10 56.606 -15.836 4.692 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.935 -16.112 5.141 1.00 0.00 H new ATOM 0 HG2 GLU C 10 54.680 -17.638 3.139 1.00 0.00 H new ATOM 0 HG3 GLU C 10 56.377 -17.403 2.770 1.00 0.00 H new ATOM 157 N GLN C 11 52.806 -14.592 3.623 1.00 0.00 N ATOM 158 CA GLN C 11 51.385 -14.742 3.331 1.00 0.00 C ATOM 159 C GLN C 11 50.902 -13.615 2.424 1.00 0.00 C ATOM 160 O GLN C 11 49.847 -13.025 2.658 1.00 0.00 O ATOM 161 CB GLN C 11 50.580 -14.732 4.633 1.00 0.00 C ATOM 162 CG GLN C 11 51.047 -15.880 5.530 1.00 0.00 C ATOM 163 CD GLN C 11 50.622 -17.216 4.931 1.00 0.00 C ATOM 164 OE1 GLN C 11 49.480 -17.368 4.497 1.00 0.00 O ATOM 165 NE2 GLN C 11 51.478 -18.200 4.881 1.00 0.00 N ATOM 0 H GLN C 11 53.016 -13.971 4.405 1.00 0.00 H new ATOM 0 HA GLN C 11 51.237 -15.693 2.820 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.710 -13.779 5.146 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.517 -14.835 4.416 1.00 0.00 H new ATOM 0 HG2 GLN C 11 52.131 -15.849 5.639 1.00 0.00 H new ATOM 0 HG3 GLN C 11 50.623 -15.768 6.528 1.00 0.00 H new ATOM 0 HE21 GLN C 11 52.424 -18.072 5.241 1.00 0.00 H new ATOM 0 HE22 GLN C 11 51.201 -19.097 4.482 1.00 0.00 H new ATOM 174 N LEU C 12 51.681 -13.321 1.388 1.00 0.00 N ATOM 175 CA LEU C 12 51.323 -12.262 0.452 1.00 0.00 C ATOM 176 C LEU C 12 50.977 -12.848 -0.913 1.00 0.00 C ATOM 177 O LEU C 12 51.679 -13.724 -1.419 1.00 0.00 O ATOM 178 CB LEU C 12 52.485 -11.277 0.307 1.00 0.00 C ATOM 179 CG LEU C 12 53.262 -11.589 -0.973 1.00 0.00 C ATOM 180 CD1 LEU C 12 54.363 -10.545 -1.169 1.00 0.00 C ATOM 181 CD2 LEU C 12 53.893 -12.979 -0.859 1.00 0.00 C ATOM 0 H LEU C 12 52.558 -13.797 1.176 1.00 0.00 H new ATOM 0 HA LEU C 12 50.450 -11.738 0.842 1.00 0.00 H new ATOM 0 HB2 LEU C 12 52.107 -10.255 0.276 1.00 0.00 H new ATOM 0 HB3 LEU C 12 53.145 -11.347 1.172 1.00 0.00 H new ATOM 0 HG LEU C 12 52.583 -11.565 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU C 12 54.917 -10.767 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU C 12 53.915 -9.554 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU C 12 55.043 -10.569 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU C 12 54.447 -13.203 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU C 12 54.572 -13.002 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU C 12 53.110 -13.724 -0.718 1.00 0.00 H new ATOM 193 N THR C 13 49.892 -12.359 -1.504 1.00 0.00 N ATOM 194 CA THR C 13 49.462 -12.842 -2.811 1.00 0.00 C ATOM 195 C THR C 13 50.015 -11.952 -3.919 1.00 0.00 C ATOM 196 O THR C 13 50.465 -10.835 -3.665 1.00 0.00 O ATOM 197 CB THR C 13 47.934 -12.861 -2.884 1.00 0.00 C ATOM 198 OG1 THR C 13 47.452 -11.534 -3.042 1.00 0.00 O ATOM 199 CG2 THR C 13 47.367 -13.463 -1.598 1.00 0.00 C ATOM 0 H THR C 13 49.298 -11.634 -1.102 1.00 0.00 H new ATOM 0 HA THR C 13 49.845 -13.853 -2.948 1.00 0.00 H new ATOM 0 HB THR C 13 47.618 -13.465 -3.734 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.473 -11.545 -3.091 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.278 -13.476 -1.651 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.737 -14.482 -1.479 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.681 -12.861 -0.745 1.00 0.00 H new ATOM 207 N GLU C 14 49.979 -12.455 -5.149 1.00 0.00 N ATOM 208 CA GLU C 14 50.479 -11.696 -6.289 1.00 0.00 C ATOM 209 C GLU C 14 49.802 -10.332 -6.364 1.00 0.00 C ATOM 210 O GLU C 14 50.328 -9.399 -6.971 1.00 0.00 O ATOM 211 CB GLU C 14 50.221 -12.468 -7.584 1.00 0.00 C ATOM 212 CG GLU C 14 50.909 -13.833 -7.511 1.00 0.00 C ATOM 213 CD GLU C 14 50.639 -14.622 -8.788 1.00 0.00 C ATOM 214 OE1 GLU C 14 49.792 -14.196 -9.556 1.00 0.00 O ATOM 215 OE2 GLU C 14 51.284 -15.640 -8.979 1.00 0.00 O ATOM 0 H GLU C 14 49.612 -13.378 -5.381 1.00 0.00 H new ATOM 0 HA GLU C 14 51.551 -11.549 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU C 14 49.149 -12.597 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.598 -11.904 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU C 14 51.982 -13.702 -7.375 1.00 0.00 H new ATOM 0 HG3 GLU C 14 50.544 -14.388 -6.647 1.00 0.00 H new ATOM 222 N GLU C 15 48.631 -10.223 -5.745 1.00 0.00 N ATOM 223 CA GLU C 15 47.889 -8.967 -5.749 1.00 0.00 C ATOM 224 C GLU C 15 48.661 -7.887 -4.997 1.00 0.00 C ATOM 225 O GLU C 15 48.688 -6.728 -5.411 1.00 0.00 O ATOM 226 CB GLU C 15 46.521 -9.167 -5.095 1.00 0.00 C ATOM 227 CG GLU C 15 45.678 -10.113 -5.953 1.00 0.00 C ATOM 228 CD GLU C 15 44.280 -10.249 -5.360 1.00 0.00 C ATOM 229 OE1 GLU C 15 44.074 -9.762 -4.261 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.435 -10.839 -6.014 1.00 0.00 O ATOM 0 H GLU C 15 48.178 -10.983 -5.238 1.00 0.00 H new ATOM 0 HA GLU C 15 47.754 -8.649 -6.783 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.642 -9.578 -4.093 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.014 -8.208 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU C 15 45.614 -9.733 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.156 -11.091 -6.007 1.00 0.00 H new ATOM 237 N GLN C 16 49.288 -8.276 -3.891 1.00 0.00 N ATOM 238 CA GLN C 16 50.058 -7.332 -3.090 1.00 0.00 C ATOM 239 C GLN C 16 51.472 -7.189 -3.641 1.00 0.00 C ATOM 240 O GLN C 16 51.899 -6.093 -4.007 1.00 0.00 O ATOM 241 CB GLN C 16 50.120 -7.809 -1.637 1.00 0.00 C ATOM 242 CG GLN C 16 48.701 -8.031 -1.111 1.00 0.00 C ATOM 243 CD GLN C 16 47.972 -6.697 -0.999 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.519 -5.732 -0.464 1.00 0.00 O ATOM 245 NE2 GLN C 16 46.762 -6.583 -1.474 1.00 0.00 N ATOM 0 H GLN C 16 49.278 -9.231 -3.532 1.00 0.00 H new ATOM 0 HA GLN C 16 49.564 -6.361 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN C 16 50.692 -8.734 -1.571 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.636 -7.071 -1.023 1.00 0.00 H new ATOM 0 HG2 GLN C 16 48.156 -8.697 -1.780 1.00 0.00 H new ATOM 0 HG3 GLN C 16 48.738 -8.518 -0.136 1.00 0.00 H new ATOM 0 HE21 GLN C 16 46.310 -7.383 -1.917 1.00 0.00 H new ATOM 0 HE22 GLN C 16 46.268 -5.694 -1.403 1.00 0.00 H new ATOM 254 N LYS C 17 52.195 -8.303 -3.699 1.00 0.00 N ATOM 255 CA LYS C 17 53.562 -8.290 -4.208 1.00 0.00 C ATOM 256 C LYS C 17 53.658 -7.428 -5.463 1.00 0.00 C ATOM 257 O LYS C 17 54.551 -6.590 -5.586 1.00 0.00 O ATOM 258 CB LYS C 17 54.013 -9.716 -4.530 1.00 0.00 C ATOM 259 CG LYS C 17 55.495 -9.710 -4.908 1.00 0.00 C ATOM 260 CD LYS C 17 55.924 -11.120 -5.318 1.00 0.00 C ATOM 261 CE LYS C 17 57.443 -11.163 -5.487 1.00 0.00 C ATOM 262 NZ LYS C 17 58.097 -10.765 -4.208 1.00 0.00 N ATOM 0 H LYS C 17 51.860 -9.220 -3.402 1.00 0.00 H new ATOM 0 HA LYS C 17 54.212 -7.868 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.849 -10.364 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.419 -10.120 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.669 -9.013 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS C 17 56.095 -9.367 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS C 17 55.611 -11.841 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS C 17 55.436 -11.403 -6.250 1.00 0.00 H new ATOM 0 HE2 LYS C 17 57.760 -12.166 -5.773 1.00 0.00 H new ATOM 0 HE3 LYS C 17 57.750 -10.491 -6.289 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 59.074 -11.122 -4.192 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 58.106 -9.728 -4.131 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 57.568 -11.167 -3.408 1.00 0.00 H new ATOM 276 N ASN C 18 52.732 -7.641 -6.393 1.00 0.00 N ATOM 277 CA ASN C 18 52.722 -6.878 -7.636 1.00 0.00 C ATOM 278 C ASN C 18 52.818 -5.383 -7.347 1.00 0.00 C ATOM 279 O ASN C 18 53.361 -4.620 -8.147 1.00 0.00 O ATOM 280 CB ASN C 18 51.439 -7.167 -8.416 1.00 0.00 C ATOM 281 CG ASN C 18 51.485 -6.471 -9.772 1.00 0.00 C ATOM 282 OD1 ASN C 18 52.321 -6.802 -10.613 1.00 0.00 O ATOM 283 ND2 ASN C 18 50.631 -5.519 -10.036 1.00 0.00 N ATOM 0 H ASN C 18 51.984 -8.330 -6.311 1.00 0.00 H new ATOM 0 HA ASN C 18 53.584 -7.178 -8.232 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.322 -8.242 -8.554 1.00 0.00 H new ATOM 0 HB3 ASN C 18 50.574 -6.822 -7.850 1.00 0.00 H new ATOM 0 HD21 ASN C 18 50.656 -5.048 -10.940 1.00 0.00 H new ATOM 0 HD22 ASN C 18 49.939 -5.246 -9.338 1.00 0.00 H new ATOM 290 N GLU C 19 52.288 -4.971 -6.200 1.00 0.00 N ATOM 291 CA GLU C 19 52.320 -3.564 -5.817 1.00 0.00 C ATOM 292 C GLU C 19 53.677 -3.201 -5.224 1.00 0.00 C ATOM 293 O GLU C 19 54.296 -2.214 -5.623 1.00 0.00 O ATOM 294 CB GLU C 19 51.220 -3.277 -4.792 1.00 0.00 C ATOM 295 CG GLU C 19 49.859 -3.638 -5.389 1.00 0.00 C ATOM 296 CD GLU C 19 48.746 -3.258 -4.418 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.063 -2.908 -3.293 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.594 -3.323 -4.813 1.00 0.00 O ATOM 0 H GLU C 19 51.835 -5.586 -5.524 1.00 0.00 H new ATOM 0 HA GLU C 19 52.153 -2.960 -6.709 1.00 0.00 H new ATOM 0 HB2 GLU C 19 51.395 -3.854 -3.884 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.237 -2.224 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.719 -3.118 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.818 -4.706 -5.602 1.00 0.00 H new ATOM 305 N PHE C 20 54.135 -4.005 -4.270 1.00 0.00 N ATOM 306 CA PHE C 20 55.422 -3.758 -3.630 1.00 0.00 C ATOM 307 C PHE C 20 56.542 -3.742 -4.665 1.00 0.00 C ATOM 308 O PHE C 20 57.411 -2.870 -4.640 1.00 0.00 O ATOM 309 CB PHE C 20 55.703 -4.843 -2.588 1.00 0.00 C ATOM 310 CG PHE C 20 57.055 -5.459 -2.855 1.00 0.00 C ATOM 311 CD1 PHE C 20 57.171 -6.539 -3.738 1.00 0.00 C ATOM 312 CD2 PHE C 20 58.194 -4.951 -2.218 1.00 0.00 C ATOM 313 CE1 PHE C 20 58.425 -7.110 -3.986 1.00 0.00 C ATOM 314 CE2 PHE C 20 59.448 -5.522 -2.466 1.00 0.00 C ATOM 315 CZ PHE C 20 59.563 -6.602 -3.349 1.00 0.00 C ATOM 0 H PHE C 20 53.639 -4.827 -3.925 1.00 0.00 H new ATOM 0 HA PHE C 20 55.382 -2.785 -3.140 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.678 -4.415 -1.586 1.00 0.00 H new ATOM 0 HB3 PHE C 20 54.928 -5.609 -2.627 1.00 0.00 H new ATOM 0 HD1 PHE C 20 56.293 -6.932 -4.228 1.00 0.00 H new ATOM 0 HD2 PHE C 20 58.105 -4.119 -1.535 1.00 0.00 H new ATOM 0 HE1 PHE C 20 58.514 -7.942 -4.669 1.00 0.00 H new ATOM 0 HE2 PHE C 20 60.327 -5.129 -1.976 1.00 0.00 H new ATOM 0 HZ PHE C 20 60.530 -7.043 -3.539 1.00 0.00 H new ATOM 325 N LYS C 21 56.515 -4.711 -5.574 1.00 0.00 N ATOM 326 CA LYS C 21 57.534 -4.798 -6.613 1.00 0.00 C ATOM 327 C LYS C 21 57.664 -3.469 -7.350 1.00 0.00 C ATOM 328 O LYS C 21 58.722 -3.148 -7.889 1.00 0.00 O ATOM 329 CB LYS C 21 57.172 -5.902 -7.608 1.00 0.00 C ATOM 330 CG LYS C 21 58.334 -6.115 -8.581 1.00 0.00 C ATOM 331 CD LYS C 21 57.951 -7.181 -9.609 1.00 0.00 C ATOM 332 CE LYS C 21 59.165 -7.513 -10.478 1.00 0.00 C ATOM 333 NZ LYS C 21 59.482 -6.349 -11.354 1.00 0.00 N ATOM 0 H LYS C 21 55.804 -5.442 -5.613 1.00 0.00 H new ATOM 0 HA LYS C 21 58.488 -5.033 -6.141 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.955 -6.828 -7.076 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.270 -5.630 -8.156 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.576 -5.179 -9.085 1.00 0.00 H new ATOM 0 HG3 LYS C 21 59.226 -6.424 -8.036 1.00 0.00 H new ATOM 0 HD2 LYS C 21 57.597 -8.079 -9.103 1.00 0.00 H new ATOM 0 HD3 LYS C 21 57.132 -6.822 -10.232 1.00 0.00 H new ATOM 0 HE2 LYS C 21 60.022 -7.752 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS C 21 58.960 -8.394 -11.086 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 60.193 -6.629 -12.060 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 58.618 -6.034 -11.839 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 59.857 -5.571 -10.775 1.00 0.00 H new ATOM 347 N ALA C 22 56.579 -2.701 -7.369 1.00 0.00 N ATOM 348 CA ALA C 22 56.583 -1.408 -8.043 1.00 0.00 C ATOM 349 C ALA C 22 57.607 -0.474 -7.406 1.00 0.00 C ATOM 350 O ALA C 22 58.606 -0.115 -8.028 1.00 0.00 O ATOM 351 CB ALA C 22 55.193 -0.774 -7.965 1.00 0.00 C ATOM 0 H ALA C 22 55.693 -2.949 -6.929 1.00 0.00 H new ATOM 0 HA ALA C 22 56.852 -1.565 -9.087 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.205 0.191 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.467 -1.428 -8.448 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.915 -0.633 -6.920 1.00 0.00 H new ATOM 357 N ALA C 23 57.350 -0.084 -6.161 1.00 0.00 N ATOM 358 CA ALA C 23 58.257 0.809 -5.449 1.00 0.00 C ATOM 359 C ALA C 23 59.672 0.240 -5.439 1.00 0.00 C ATOM 360 O ALA C 23 60.623 0.909 -5.844 1.00 0.00 O ATOM 361 CB ALA C 23 57.774 1.005 -4.011 1.00 0.00 C ATOM 0 H ALA C 23 56.528 -0.370 -5.628 1.00 0.00 H new ATOM 0 HA ALA C 23 58.268 1.770 -5.963 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.457 1.673 -3.486 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.775 1.440 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.746 0.042 -3.502 1.00 0.00 H new ATOM 367 N PHE C 24 59.804 -0.998 -4.974 1.00 0.00 N ATOM 368 CA PHE C 24 61.108 -1.647 -4.916 1.00 0.00 C ATOM 369 C PHE C 24 61.939 -1.291 -6.144 1.00 0.00 C ATOM 370 O PHE C 24 63.150 -1.088 -6.049 1.00 0.00 O ATOM 371 CB PHE C 24 60.933 -3.165 -4.838 1.00 0.00 C ATOM 372 CG PHE C 24 62.276 -3.836 -5.001 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.824 -4.004 -6.278 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.974 -4.289 -3.875 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.069 -4.626 -6.429 1.00 0.00 C ATOM 376 CE2 PHE C 24 64.219 -4.911 -4.026 1.00 0.00 C ATOM 377 CZ PHE C 24 64.767 -5.080 -5.303 1.00 0.00 C ATOM 0 H PHE C 24 59.030 -1.568 -4.634 1.00 0.00 H new ATOM 0 HA PHE C 24 61.628 -1.295 -4.025 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.490 -3.442 -3.881 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.249 -3.503 -5.616 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.286 -3.654 -7.147 1.00 0.00 H new ATOM 0 HD2 PHE C 24 62.552 -4.159 -2.890 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.491 -4.756 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.757 -5.261 -3.157 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.727 -5.560 -5.420 1.00 0.00 H new ATOM 387 N ASP C 25 61.281 -1.217 -7.297 1.00 0.00 N ATOM 388 CA ASP C 25 61.970 -0.885 -8.538 1.00 0.00 C ATOM 389 C ASP C 25 62.362 0.590 -8.556 1.00 0.00 C ATOM 390 O ASP C 25 63.498 0.936 -8.879 1.00 0.00 O ATOM 391 CB ASP C 25 61.067 -1.189 -9.735 1.00 0.00 C ATOM 392 CG ASP C 25 61.830 -0.964 -11.035 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.499 -1.885 -11.474 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.734 0.127 -11.574 1.00 0.00 O ATOM 0 H ASP C 25 60.279 -1.381 -7.397 1.00 0.00 H new ATOM 0 HA ASP C 25 62.874 -1.491 -8.602 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.716 -2.220 -9.684 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.184 -0.550 -9.707 1.00 0.00 H new ATOM 399 N ILE C 26 61.413 1.453 -8.207 1.00 0.00 N ATOM 400 CA ILE C 26 61.671 2.888 -8.187 1.00 0.00 C ATOM 401 C ILE C 26 62.547 3.259 -6.995 1.00 0.00 C ATOM 402 O ILE C 26 63.172 4.320 -6.978 1.00 0.00 O ATOM 403 CB ILE C 26 60.349 3.655 -8.110 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.473 3.280 -9.307 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.628 5.158 -8.134 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.059 3.825 -9.096 1.00 0.00 C ATOM 0 H ILE C 26 60.466 1.187 -7.936 1.00 0.00 H new ATOM 0 HA ILE C 26 62.194 3.157 -9.105 1.00 0.00 H new ATOM 0 HB ILE C 26 59.833 3.397 -7.185 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.898 3.688 -10.224 1.00 0.00 H new ATOM 0 HG13 ILE C 26 59.443 2.197 -9.424 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.686 5.704 -8.079 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.253 5.426 -7.282 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.144 5.417 -9.058 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.435 3.558 -9.949 1.00 0.00 H new ATOM 0 HD12 ILE C 26 57.635 3.396 -8.188 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.098 4.910 -9.001 1.00 0.00 H new ATOM 418 N PHE C 27 62.587 2.379 -6.000 1.00 0.00 N ATOM 419 CA PHE C 27 63.390 2.625 -4.808 1.00 0.00 C ATOM 420 C PHE C 27 64.842 2.226 -5.047 1.00 0.00 C ATOM 421 O PHE C 27 65.696 2.403 -4.178 1.00 0.00 O ATOM 422 CB PHE C 27 62.828 1.831 -3.627 1.00 0.00 C ATOM 423 CG PHE C 27 63.666 0.594 -3.408 1.00 0.00 C ATOM 424 CD1 PHE C 27 64.985 0.550 -3.877 1.00 0.00 C ATOM 425 CD2 PHE C 27 63.125 -0.509 -2.736 1.00 0.00 C ATOM 426 CE1 PHE C 27 65.762 -0.597 -3.674 1.00 0.00 C ATOM 427 CE2 PHE C 27 63.902 -1.655 -2.534 1.00 0.00 C ATOM 428 CZ PHE C 27 65.221 -1.700 -3.003 1.00 0.00 C ATOM 0 H PHE C 27 62.077 1.496 -5.995 1.00 0.00 H new ATOM 0 HA PHE C 27 63.351 3.690 -4.581 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.828 2.447 -2.728 1.00 0.00 H new ATOM 0 HB3 PHE C 27 61.793 1.552 -3.822 1.00 0.00 H new ATOM 0 HD1 PHE C 27 65.403 1.401 -4.395 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.108 -0.475 -2.374 1.00 0.00 H new ATOM 0 HE1 PHE C 27 66.779 -0.631 -4.035 1.00 0.00 H new ATOM 0 HE2 PHE C 27 63.484 -2.506 -2.016 1.00 0.00 H new ATOM 0 HZ PHE C 27 65.820 -2.585 -2.847 1.00 0.00 H new ATOM 438 N VAL C 28 65.115 1.686 -6.231 1.00 0.00 N ATOM 439 CA VAL C 28 66.469 1.265 -6.573 1.00 0.00 C ATOM 440 C VAL C 28 66.826 1.706 -7.989 1.00 0.00 C ATOM 441 O VAL C 28 67.718 1.138 -8.619 1.00 0.00 O ATOM 442 CB VAL C 28 66.585 -0.256 -6.466 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.219 -0.850 -6.117 1.00 0.00 C ATOM 444 CG2 VAL C 28 67.061 -0.825 -7.804 1.00 0.00 C ATOM 0 H VAL C 28 64.423 1.531 -6.964 1.00 0.00 H new ATOM 0 HA VAL C 28 67.162 1.732 -5.874 1.00 0.00 H new ATOM 0 HB VAL C 28 67.302 -0.511 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL C 28 65.302 -1.934 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL C 28 64.879 -0.444 -5.164 1.00 0.00 H new ATOM 0 HG13 VAL C 28 64.501 -0.595 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL C 28 67.144 -1.909 -7.729 1.00 0.00 H new ATOM 0 HG22 VAL C 28 66.344 -0.569 -8.584 1.00 0.00 H new ATOM 0 HG23 VAL C 28 68.034 -0.403 -8.053 1.00 0.00 H new ATOM 454 N LEU C 29 66.124 2.721 -8.482 1.00 0.00 N ATOM 455 CA LEU C 29 66.377 3.230 -9.825 1.00 0.00 C ATOM 456 C LEU C 29 67.766 3.855 -9.909 1.00 0.00 C ATOM 457 O LEU C 29 67.950 5.028 -9.584 1.00 0.00 O ATOM 458 CB LEU C 29 65.323 4.274 -10.196 1.00 0.00 C ATOM 459 CG LEU C 29 65.466 4.643 -11.673 1.00 0.00 C ATOM 460 CD1 LEU C 29 64.996 3.474 -12.540 1.00 0.00 C ATOM 461 CD2 LEU C 29 64.611 5.876 -11.975 1.00 0.00 C ATOM 0 H LEU C 29 65.381 3.204 -7.977 1.00 0.00 H new ATOM 0 HA LEU C 29 66.323 2.396 -10.524 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.324 3.882 -10.004 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.442 5.162 -9.575 1.00 0.00 H new ATOM 0 HG LEU C 29 66.511 4.861 -11.893 1.00 0.00 H new ATOM 0 HD11 LEU C 29 65.098 3.738 -13.593 1.00 0.00 H new ATOM 0 HD12 LEU C 29 65.603 2.595 -12.326 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.951 3.255 -12.321 1.00 0.00 H new ATOM 0 HD21 LEU C 29 64.712 6.140 -13.028 1.00 0.00 H new ATOM 0 HD22 LEU C 29 63.566 5.657 -11.755 1.00 0.00 H new ATOM 0 HD23 LEU C 29 64.945 6.710 -11.358 1.00 0.00 H new ATOM 473 N GLY C 30 68.740 3.063 -10.345 1.00 0.00 N ATOM 474 CA GLY C 30 70.110 3.549 -10.467 1.00 0.00 C ATOM 475 C GLY C 30 71.045 2.780 -9.541 1.00 0.00 C ATOM 476 O GLY C 30 72.239 3.072 -9.466 1.00 0.00 O ATOM 0 H GLY C 30 68.608 2.089 -10.618 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.447 3.445 -11.498 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.146 4.611 -10.226 1.00 0.00 H new ATOM 480 N ALA C 31 70.495 1.794 -8.839 1.00 0.00 N ATOM 481 CA ALA C 31 71.291 0.988 -7.920 1.00 0.00 C ATOM 482 C ALA C 31 72.337 0.182 -8.683 1.00 0.00 C ATOM 483 O ALA C 31 72.305 0.111 -9.911 1.00 0.00 O ATOM 484 CB ALA C 31 70.382 0.038 -7.138 1.00 0.00 C ATOM 0 H ALA C 31 69.510 1.535 -8.888 1.00 0.00 H new ATOM 0 HA ALA C 31 71.800 1.657 -7.226 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.984 -0.560 -6.454 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.654 0.617 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.860 -0.620 -7.833 1.00 0.00 H new ATOM 490 N GLU C 32 73.263 -0.424 -7.946 1.00 0.00 N ATOM 491 CA GLU C 32 74.315 -1.223 -8.565 1.00 0.00 C ATOM 492 C GLU C 32 73.937 -2.701 -8.560 1.00 0.00 C ATOM 493 O GLU C 32 74.073 -3.389 -9.571 1.00 0.00 O ATOM 494 CB GLU C 32 75.631 -1.028 -7.810 1.00 0.00 C ATOM 495 CG GLU C 32 76.061 0.437 -7.902 1.00 0.00 C ATOM 496 CD GLU C 32 76.338 0.809 -9.355 1.00 0.00 C ATOM 497 OE1 GLU C 32 76.512 -0.096 -10.154 1.00 0.00 O ATOM 498 OE2 GLU C 32 76.372 1.993 -9.646 1.00 0.00 O ATOM 0 H GLU C 32 73.307 -0.378 -6.928 1.00 0.00 H new ATOM 0 HA GLU C 32 74.437 -0.894 -9.597 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.510 -1.317 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU C 32 76.403 -1.672 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU C 32 75.280 1.080 -7.496 1.00 0.00 H new ATOM 0 HG3 GLU C 32 76.954 0.601 -7.299 1.00 0.00 H new ATOM 505 N ASP C 33 73.462 -3.181 -7.415 1.00 0.00 N ATOM 506 CA ASP C 33 73.068 -4.580 -7.291 1.00 0.00 C ATOM 507 C ASP C 33 71.548 -4.707 -7.262 1.00 0.00 C ATOM 508 O ASP C 33 70.974 -5.556 -7.945 1.00 0.00 O ATOM 509 CB ASP C 33 73.656 -5.176 -6.010 1.00 0.00 C ATOM 510 CG ASP C 33 73.113 -4.435 -4.793 1.00 0.00 C ATOM 511 OD1 ASP C 33 72.708 -3.295 -4.950 1.00 0.00 O ATOM 512 OD2 ASP C 33 73.110 -5.019 -3.722 1.00 0.00 O ATOM 0 H ASP C 33 73.341 -2.628 -6.567 1.00 0.00 H new ATOM 0 HA ASP C 33 73.451 -5.124 -8.154 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.405 -6.235 -5.943 1.00 0.00 H new ATOM 0 HB3 ASP C 33 74.744 -5.107 -6.033 1.00 0.00 H new ATOM 517 N GLY C 34 70.903 -3.858 -6.469 1.00 0.00 N ATOM 518 CA GLY C 34 69.449 -3.885 -6.360 1.00 0.00 C ATOM 519 C GLY C 34 69.005 -3.617 -4.926 1.00 0.00 C ATOM 520 O GLY C 34 68.153 -4.324 -4.388 1.00 0.00 O ATOM 0 H GLY C 34 71.360 -3.148 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY C 34 69.017 -3.137 -7.024 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.074 -4.855 -6.686 1.00 0.00 H new ATOM 524 N CYS C 35 69.587 -2.591 -4.314 1.00 0.00 N ATOM 525 CA CYS C 35 69.243 -2.239 -2.941 1.00 0.00 C ATOM 526 C CYS C 35 68.899 -0.756 -2.839 1.00 0.00 C ATOM 527 O CYS C 35 68.722 -0.079 -3.851 1.00 0.00 O ATOM 528 CB CYS C 35 70.414 -2.559 -2.010 1.00 0.00 C ATOM 529 SG CYS C 35 71.823 -1.504 -2.430 1.00 0.00 S ATOM 0 H CYS C 35 70.293 -1.993 -4.743 1.00 0.00 H new ATOM 0 HA CYS C 35 68.373 -2.824 -2.643 1.00 0.00 H new ATOM 0 HB2 CYS C 35 70.122 -2.398 -0.972 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.691 -3.609 -2.104 1.00 0.00 H new ATOM 0 HG CYS C 35 72.432 -1.988 -3.472 1.00 0.00 H new ATOM 535 N ILE C 36 68.806 -0.259 -1.610 1.00 0.00 N ATOM 536 CA ILE C 36 68.483 1.146 -1.387 1.00 0.00 C ATOM 537 C ILE C 36 69.482 1.780 -0.425 1.00 0.00 C ATOM 538 O ILE C 36 70.067 1.097 0.416 1.00 0.00 O ATOM 539 CB ILE C 36 67.070 1.272 -0.816 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.340 2.423 -1.513 1.00 0.00 C ATOM 541 CG2 ILE C 36 67.149 1.556 0.685 1.00 0.00 C ATOM 542 CD1 ILE C 36 67.156 3.709 -1.367 1.00 0.00 C ATOM 0 H ILE C 36 68.948 -0.803 -0.759 1.00 0.00 H new ATOM 0 HA ILE C 36 68.536 1.668 -2.342 1.00 0.00 H new ATOM 0 HB ILE C 36 66.527 0.341 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE C 36 66.195 2.190 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE C 36 65.350 2.557 -1.077 1.00 0.00 H new ATOM 0 HG21 ILE C 36 66.142 1.646 1.092 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.670 0.738 1.183 1.00 0.00 H new ATOM 0 HG23 ILE C 36 67.692 2.487 0.851 1.00 0.00 H new ATOM 0 HD11 ILE C 36 66.636 4.528 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE C 36 67.278 3.944 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE C 36 68.136 3.572 -1.824 1.00 0.00 H new ATOM 554 N SER C 37 69.672 3.089 -0.554 1.00 0.00 N ATOM 555 CA SER C 37 70.603 3.805 0.311 1.00 0.00 C ATOM 556 C SER C 37 70.249 5.288 0.368 1.00 0.00 C ATOM 557 O SER C 37 71.128 6.148 0.319 1.00 0.00 O ATOM 558 CB SER C 37 72.031 3.639 -0.210 1.00 0.00 C ATOM 559 OG SER C 37 72.942 4.166 0.745 1.00 0.00 O ATOM 0 H SER C 37 69.198 3.672 -1.244 1.00 0.00 H new ATOM 0 HA SER C 37 70.532 3.388 1.315 1.00 0.00 H new ATOM 0 HB2 SER C 37 72.244 2.586 -0.391 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.145 4.156 -1.163 1.00 0.00 H new ATOM 0 HG SER C 37 72.743 5.113 0.899 1.00 0.00 H new ATOM 565 N THR C 38 68.956 5.579 0.472 1.00 0.00 N ATOM 566 CA THR C 38 68.498 6.962 0.535 1.00 0.00 C ATOM 567 C THR C 38 68.693 7.653 -0.810 1.00 0.00 C ATOM 568 O THR C 38 67.749 8.197 -1.383 1.00 0.00 O ATOM 569 CB THR C 38 69.270 7.719 1.618 1.00 0.00 C ATOM 570 OG1 THR C 38 68.395 8.628 2.272 1.00 0.00 O ATOM 571 CG2 THR C 38 70.426 8.490 0.979 1.00 0.00 C ATOM 0 H THR C 38 68.213 4.882 0.514 1.00 0.00 H new ATOM 0 HA THR C 38 67.436 6.963 0.779 1.00 0.00 H new ATOM 0 HB THR C 38 69.668 7.010 2.344 1.00 0.00 H new ATOM 0 HG1 THR C 38 68.846 9.490 2.388 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.975 9.029 1.751 1.00 0.00 H new ATOM 0 HG22 THR C 38 71.096 7.792 0.478 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.032 9.200 0.252 1.00 0.00 H new ATOM 579 N LYS C 39 69.925 7.628 -1.309 1.00 0.00 N ATOM 580 CA LYS C 39 70.233 8.257 -2.589 1.00 0.00 C ATOM 581 C LYS C 39 69.138 7.960 -3.609 1.00 0.00 C ATOM 582 O LYS C 39 68.774 8.820 -4.411 1.00 0.00 O ATOM 583 CB LYS C 39 71.575 7.742 -3.113 1.00 0.00 C ATOM 584 CG LYS C 39 71.953 8.506 -4.384 1.00 0.00 C ATOM 585 CD LYS C 39 73.246 7.927 -4.962 1.00 0.00 C ATOM 586 CE LYS C 39 73.729 8.808 -6.116 1.00 0.00 C ATOM 587 NZ LYS C 39 74.490 7.976 -7.090 1.00 0.00 N ATOM 0 H LYS C 39 70.720 7.183 -0.851 1.00 0.00 H new ATOM 0 HA LYS C 39 70.291 9.335 -2.439 1.00 0.00 H new ATOM 0 HB2 LYS C 39 72.347 7.871 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.510 6.674 -3.323 1.00 0.00 H new ATOM 0 HG2 LYS C 39 71.150 8.433 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS C 39 72.085 9.564 -4.159 1.00 0.00 H new ATOM 0 HD2 LYS C 39 74.011 7.873 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.076 6.909 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS C 39 72.878 9.278 -6.609 1.00 0.00 H new ATOM 0 HE3 LYS C 39 74.361 9.611 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 74.819 8.574 -7.875 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 75.310 7.547 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 73.874 7.225 -7.461 1.00 0.00 H new ATOM 601 N GLU C 40 68.618 6.738 -3.572 1.00 0.00 N ATOM 602 CA GLU C 40 67.564 6.339 -4.498 1.00 0.00 C ATOM 603 C GLU C 40 66.191 6.537 -3.866 1.00 0.00 C ATOM 604 O GLU C 40 65.252 6.983 -4.525 1.00 0.00 O ATOM 605 CB GLU C 40 67.741 4.870 -4.889 1.00 0.00 C ATOM 606 CG GLU C 40 69.132 4.666 -5.493 1.00 0.00 C ATOM 607 CD GLU C 40 70.160 4.475 -4.384 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.778 4.560 -3.228 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.314 4.248 -4.705 1.00 0.00 O ATOM 0 H GLU C 40 68.906 6.012 -2.916 1.00 0.00 H new ATOM 0 HA GLU C 40 67.634 6.963 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.616 4.232 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU C 40 66.975 4.579 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.128 3.796 -6.150 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.401 5.527 -6.105 1.00 0.00 H new ATOM 616 N LEU C 41 66.081 6.203 -2.584 1.00 0.00 N ATOM 617 CA LEU C 41 64.816 6.349 -1.872 1.00 0.00 C ATOM 618 C LEU C 41 64.341 7.798 -1.917 1.00 0.00 C ATOM 619 O LEU C 41 63.256 8.090 -2.420 1.00 0.00 O ATOM 620 CB LEU C 41 64.982 5.909 -0.417 1.00 0.00 C ATOM 621 CG LEU C 41 63.877 4.916 -0.054 1.00 0.00 C ATOM 622 CD1 LEU C 41 64.169 4.304 1.317 1.00 0.00 C ATOM 623 CD2 LEU C 41 62.533 5.645 -0.010 1.00 0.00 C ATOM 0 H LEU C 41 66.846 5.832 -2.020 1.00 0.00 H new ATOM 0 HA LEU C 41 64.071 5.719 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.960 5.449 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU C 41 64.938 6.775 0.243 1.00 0.00 H new ATOM 0 HG LEU C 41 63.839 4.125 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU C 41 63.381 3.596 1.575 1.00 0.00 H new ATOM 0 HD12 LEU C 41 65.127 3.785 1.287 1.00 0.00 H new ATOM 0 HD13 LEU C 41 64.207 5.094 2.067 1.00 0.00 H new ATOM 0 HD21 LEU C 41 61.744 4.939 0.249 1.00 0.00 H new ATOM 0 HD22 LEU C 41 62.572 6.435 0.739 1.00 0.00 H new ATOM 0 HD23 LEU C 41 62.324 6.081 -0.987 1.00 0.00 H new ATOM 635 N GLY C 42 65.160 8.701 -1.387 1.00 0.00 N ATOM 636 CA GLY C 42 64.813 10.117 -1.372 1.00 0.00 C ATOM 637 C GLY C 42 64.269 10.559 -2.726 1.00 0.00 C ATOM 638 O GLY C 42 63.322 11.342 -2.800 1.00 0.00 O ATOM 0 H GLY C 42 66.062 8.480 -0.965 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.069 10.305 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.693 10.708 -1.119 1.00 0.00 H new ATOM 642 N LYS C 43 64.875 10.053 -3.795 1.00 0.00 N ATOM 643 CA LYS C 43 64.442 10.403 -5.143 1.00 0.00 C ATOM 644 C LYS C 43 62.923 10.330 -5.254 1.00 0.00 C ATOM 645 O LYS C 43 62.298 11.159 -5.916 1.00 0.00 O ATOM 646 CB LYS C 43 65.077 9.452 -6.159 1.00 0.00 C ATOM 647 CG LYS C 43 65.438 10.227 -7.428 1.00 0.00 C ATOM 648 CD LYS C 43 64.171 10.835 -8.033 1.00 0.00 C ATOM 649 CE LYS C 43 64.399 11.116 -9.519 1.00 0.00 C ATOM 650 NZ LYS C 43 65.568 12.027 -9.679 1.00 0.00 N ATOM 0 H LYS C 43 65.661 9.404 -3.755 1.00 0.00 H new ATOM 0 HA LYS C 43 64.761 11.424 -5.353 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.970 8.993 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.386 8.644 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS C 43 66.156 11.013 -7.195 1.00 0.00 H new ATOM 0 HG3 LYS C 43 65.915 9.563 -8.149 1.00 0.00 H new ATOM 0 HD2 LYS C 43 63.331 10.152 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS C 43 63.914 11.758 -7.513 1.00 0.00 H new ATOM 0 HE2 LYS C 43 64.576 10.183 -10.054 1.00 0.00 H new ATOM 0 HE3 LYS C 43 63.509 11.569 -9.955 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 65.554 12.446 -10.631 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 65.519 12.783 -8.967 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 66.448 11.488 -9.551 1.00 0.00 H new ATOM 664 N VAL C 44 62.334 9.331 -4.603 1.00 0.00 N ATOM 665 CA VAL C 44 60.887 9.159 -4.636 1.00 0.00 C ATOM 666 C VAL C 44 60.204 10.192 -3.746 1.00 0.00 C ATOM 667 O VAL C 44 59.160 10.740 -4.102 1.00 0.00 O ATOM 668 CB VAL C 44 60.517 7.752 -4.164 1.00 0.00 C ATOM 669 CG1 VAL C 44 61.614 6.770 -4.579 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.379 7.747 -2.640 1.00 0.00 C ATOM 0 H VAL C 44 62.833 8.634 -4.050 1.00 0.00 H new ATOM 0 HA VAL C 44 60.547 9.299 -5.662 1.00 0.00 H new ATOM 0 HB VAL C 44 59.572 7.453 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL C 44 61.351 5.767 -4.243 1.00 0.00 H new ATOM 0 HG12 VAL C 44 61.715 6.774 -5.664 1.00 0.00 H new ATOM 0 HG13 VAL C 44 62.560 7.068 -4.126 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.115 6.745 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL C 44 61.325 8.045 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL C 44 59.598 8.447 -2.343 1.00 0.00 H new ATOM 680 N MET C 45 60.799 10.453 -2.587 1.00 0.00 N ATOM 681 CA MET C 45 60.239 11.423 -1.653 1.00 0.00 C ATOM 682 C MET C 45 59.786 12.679 -2.391 1.00 0.00 C ATOM 683 O MET C 45 58.603 13.019 -2.390 1.00 0.00 O ATOM 684 CB MET C 45 61.283 11.796 -0.599 1.00 0.00 C ATOM 685 CG MET C 45 61.491 10.618 0.355 1.00 0.00 C ATOM 686 SD MET C 45 60.133 10.563 1.550 1.00 0.00 S ATOM 687 CE MET C 45 59.525 8.912 1.127 1.00 0.00 C ATOM 0 H MET C 45 61.663 10.010 -2.273 1.00 0.00 H new ATOM 0 HA MET C 45 59.375 10.972 -1.165 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.225 12.057 -1.082 1.00 0.00 H new ATOM 0 HB3 MET C 45 60.956 12.674 -0.043 1.00 0.00 H new ATOM 0 HG2 MET C 45 61.534 9.685 -0.206 1.00 0.00 H new ATOM 0 HG3 MET C 45 62.443 10.721 0.875 1.00 0.00 H new ATOM 0 HE1 MET C 45 58.669 8.667 1.756 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.223 8.893 0.080 1.00 0.00 H new ATOM 0 HE3 MET C 45 60.316 8.180 1.290 1.00 0.00 H new ATOM 697 N ARG C 46 60.736 13.363 -3.020 1.00 0.00 N ATOM 698 CA ARG C 46 60.423 14.581 -3.760 1.00 0.00 C ATOM 699 C ARG C 46 59.099 14.431 -4.503 1.00 0.00 C ATOM 700 O ARG C 46 58.321 15.380 -4.601 1.00 0.00 O ATOM 701 CB ARG C 46 61.540 14.887 -4.759 1.00 0.00 C ATOM 702 CG ARG C 46 62.841 15.162 -4.003 1.00 0.00 C ATOM 703 CD ARG C 46 63.942 15.531 -4.999 1.00 0.00 C ATOM 704 NE ARG C 46 65.244 15.509 -4.342 1.00 0.00 N ATOM 705 CZ ARG C 46 66.364 15.360 -5.042 1.00 0.00 C ATOM 706 NH1 ARG C 46 66.310 15.231 -6.340 1.00 0.00 N ATOM 707 NH2 ARG C 46 67.517 15.343 -4.432 1.00 0.00 N ATOM 0 H ARG C 46 61.721 13.098 -3.033 1.00 0.00 H new ATOM 0 HA ARG C 46 60.337 15.403 -3.050 1.00 0.00 H new ATOM 0 HB2 ARG C 46 61.674 14.046 -5.440 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.271 15.750 -5.368 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.695 15.973 -3.289 1.00 0.00 H new ATOM 0 HG3 ARG C 46 63.134 14.282 -3.430 1.00 0.00 H new ATOM 0 HD2 ARG C 46 63.936 14.831 -5.834 1.00 0.00 H new ATOM 0 HD3 ARG C 46 63.752 16.522 -5.412 1.00 0.00 H new ATOM 0 HE ARG C 46 65.296 15.610 -3.328 1.00 0.00 H new ATOM 0 HH11 ARG C 46 65.408 15.245 -6.817 1.00 0.00 H new ATOM 0 HH12 ARG C 46 67.169 15.117 -6.877 1.00 0.00 H new ATOM 0 HH21 ARG C 46 67.559 15.444 -3.418 1.00 0.00 H new ATOM 0 HH22 ARG C 46 68.377 15.229 -4.969 1.00 0.00 H new ATOM 721 N MET C 47 58.851 13.234 -5.024 1.00 0.00 N ATOM 722 CA MET C 47 57.618 12.971 -5.757 1.00 0.00 C ATOM 723 C MET C 47 56.485 12.628 -4.794 1.00 0.00 C ATOM 724 O MET C 47 55.318 12.906 -5.069 1.00 0.00 O ATOM 725 CB MET C 47 57.827 11.814 -6.735 1.00 0.00 C ATOM 726 CG MET C 47 56.690 11.797 -7.758 1.00 0.00 C ATOM 727 SD MET C 47 57.005 10.507 -8.988 1.00 0.00 S ATOM 728 CE MET C 47 56.511 9.096 -7.969 1.00 0.00 C ATOM 0 H MET C 47 59.482 12.436 -4.953 1.00 0.00 H new ATOM 0 HA MET C 47 57.349 13.870 -6.312 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.785 11.922 -7.243 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.858 10.868 -6.194 1.00 0.00 H new ATOM 0 HG2 MET C 47 55.739 11.613 -7.258 1.00 0.00 H new ATOM 0 HG3 MET C 47 56.611 12.768 -8.246 1.00 0.00 H new ATOM 0 HE1 MET C 47 57.396 8.529 -7.679 1.00 0.00 H new ATOM 0 HE2 MET C 47 56.000 9.454 -7.075 1.00 0.00 H new ATOM 0 HE3 MET C 47 55.839 8.454 -8.538 1.00 0.00 H new ATOM 738 N LEU C 48 56.838 12.022 -3.665 1.00 0.00 N ATOM 739 CA LEU C 48 55.843 11.645 -2.669 1.00 0.00 C ATOM 740 C LEU C 48 55.268 12.884 -1.990 1.00 0.00 C ATOM 741 O LEU C 48 54.291 12.800 -1.246 1.00 0.00 O ATOM 742 CB LEU C 48 56.476 10.732 -1.617 1.00 0.00 C ATOM 743 CG LEU C 48 55.487 9.629 -1.236 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.144 8.678 -0.234 1.00 0.00 C ATOM 745 CD2 LEU C 48 54.245 10.257 -0.601 1.00 0.00 C ATOM 0 H LEU C 48 57.798 11.783 -3.418 1.00 0.00 H new ATOM 0 HA LEU C 48 55.036 11.113 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.394 10.293 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU C 48 56.749 11.311 -0.735 1.00 0.00 H new ATOM 0 HG LEU C 48 55.200 9.074 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU C 48 55.439 7.892 0.038 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.030 8.231 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.431 9.232 0.659 1.00 0.00 H new ATOM 0 HD21 LEU C 48 53.539 9.472 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.534 10.811 0.292 1.00 0.00 H new ATOM 0 HD23 LEU C 48 53.776 10.936 -1.313 1.00 0.00 H new ATOM 757 N GLY C 49 55.881 14.034 -2.251 1.00 0.00 N ATOM 758 CA GLY C 49 55.422 15.285 -1.660 1.00 0.00 C ATOM 759 C GLY C 49 56.288 15.674 -0.467 1.00 0.00 C ATOM 760 O GLY C 49 55.883 16.482 0.369 1.00 0.00 O ATOM 0 H GLY C 49 56.691 14.125 -2.864 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.450 16.077 -2.408 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.384 15.183 -1.343 1.00 0.00 H new ATOM 764 N GLN C 50 57.481 15.094 -0.394 1.00 0.00 N ATOM 765 CA GLN C 50 58.397 15.388 0.702 1.00 0.00 C ATOM 766 C GLN C 50 59.839 15.408 0.204 1.00 0.00 C ATOM 767 O GLN C 50 60.090 15.462 -1.000 1.00 0.00 O ATOM 768 CB GLN C 50 58.250 14.335 1.802 1.00 0.00 C ATOM 769 CG GLN C 50 58.453 14.992 3.168 1.00 0.00 C ATOM 770 CD GLN C 50 58.234 13.968 4.277 1.00 0.00 C ATOM 771 OE1 GLN C 50 57.184 13.328 4.334 1.00 0.00 O ATOM 772 NE2 GLN C 50 59.169 13.774 5.166 1.00 0.00 N ATOM 0 H GLN C 50 57.835 14.422 -1.075 1.00 0.00 H new ATOM 0 HA GLN C 50 58.149 16.370 1.104 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.263 13.876 1.751 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.980 13.539 1.658 1.00 0.00 H new ATOM 0 HG2 GLN C 50 59.460 15.405 3.236 1.00 0.00 H new ATOM 0 HG3 GLN C 50 57.759 15.824 3.287 1.00 0.00 H new ATOM 0 HE21 GLN C 50 60.038 14.306 5.116 1.00 0.00 H new ATOM 0 HE22 GLN C 50 59.031 13.091 5.911 1.00 0.00 H new ATOM 781 N ASN C 51 60.783 15.366 1.139 1.00 0.00 N ATOM 782 CA ASN C 51 62.197 15.380 0.784 1.00 0.00 C ATOM 783 C ASN C 51 63.065 15.277 2.034 1.00 0.00 C ATOM 784 O ASN C 51 63.579 16.278 2.531 1.00 0.00 O ATOM 785 CB ASN C 51 62.534 16.670 0.032 1.00 0.00 C ATOM 786 CG ASN C 51 61.550 17.769 0.417 1.00 0.00 C ATOM 787 OD1 ASN C 51 60.493 17.974 -0.321 1.00 0.00 O flip ATOM 788 ND2 ASN C 51 61.749 18.460 1.416 1.00 0.00 N flip ATOM 0 H ASN C 51 60.596 15.322 2.141 1.00 0.00 H new ATOM 0 HA ASN C 51 62.399 14.522 0.143 1.00 0.00 H new ATOM 0 HB2 ASN C 51 63.551 16.983 0.267 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.494 16.495 -1.043 1.00 0.00 H new ATOM 0 HD21 ASN C 51 62.575 18.298 1.992 1.00 0.00 H new ATOM 0 HD22 ASN C 51 61.087 19.194 1.668 1.00 0.00 H new ATOM 795 N PRO C 52 63.232 14.086 2.542 1.00 0.00 N ATOM 796 CA PRO C 52 64.054 13.836 3.760 1.00 0.00 C ATOM 797 C PRO C 52 65.550 13.957 3.479 1.00 0.00 C ATOM 798 O PRO C 52 65.994 13.793 2.343 1.00 0.00 O ATOM 799 CB PRO C 52 63.687 12.405 4.156 1.00 0.00 C ATOM 800 CG PRO C 52 63.235 11.746 2.895 1.00 0.00 C ATOM 801 CD PRO C 52 62.652 12.846 2.005 1.00 0.00 C ATOM 0 HA PRO C 52 63.855 14.565 4.546 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.543 11.885 4.586 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.898 12.396 4.908 1.00 0.00 H new ATOM 0 HG2 PRO C 52 64.068 11.248 2.399 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.487 10.982 3.105 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.924 12.699 0.960 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.563 12.862 2.052 1.00 0.00 H new ATOM 809 N THR C 53 66.321 14.246 4.523 1.00 0.00 N ATOM 810 CA THR C 53 67.765 14.387 4.377 1.00 0.00 C ATOM 811 C THR C 53 68.436 13.018 4.339 1.00 0.00 C ATOM 812 O THR C 53 67.832 12.008 4.699 1.00 0.00 O ATOM 813 CB THR C 53 68.331 15.203 5.541 1.00 0.00 C ATOM 814 OG1 THR C 53 69.300 14.428 6.233 1.00 0.00 O ATOM 815 CG2 THR C 53 67.200 15.582 6.498 1.00 0.00 C ATOM 0 H THR C 53 65.973 14.386 5.472 1.00 0.00 H new ATOM 0 HA THR C 53 67.967 14.904 3.439 1.00 0.00 H new ATOM 0 HB THR C 53 68.798 16.110 5.157 1.00 0.00 H new ATOM 0 HG1 THR C 53 69.665 14.950 6.978 1.00 0.00 H new ATOM 0 HG21 THR C 53 67.604 16.163 7.327 1.00 0.00 H new ATOM 0 HG22 THR C 53 66.457 16.176 5.966 1.00 0.00 H new ATOM 0 HG23 THR C 53 66.731 14.677 6.884 1.00 0.00 H new ATOM 823 N PRO C 54 69.668 12.973 3.910 1.00 0.00 N ATOM 824 CA PRO C 54 70.447 11.705 3.819 1.00 0.00 C ATOM 825 C PRO C 54 70.858 11.184 5.194 1.00 0.00 C ATOM 826 O PRO C 54 71.184 10.007 5.350 1.00 0.00 O ATOM 827 CB PRO C 54 71.674 12.091 2.992 1.00 0.00 C ATOM 828 CG PRO C 54 71.845 13.560 3.193 1.00 0.00 C ATOM 829 CD PRO C 54 70.453 14.134 3.464 1.00 0.00 C ATOM 0 HA PRO C 54 69.865 10.898 3.373 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.557 11.544 3.322 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.527 11.854 1.938 1.00 0.00 H new ATOM 0 HG2 PRO C 54 72.515 13.760 4.029 1.00 0.00 H new ATOM 0 HG3 PRO C 54 72.289 14.022 2.311 1.00 0.00 H new ATOM 0 HD2 PRO C 54 70.484 14.912 4.227 1.00 0.00 H new ATOM 0 HD3 PRO C 54 70.026 14.584 2.568 1.00 0.00 H new ATOM 837 N GLU C 55 70.838 12.067 6.187 1.00 0.00 N ATOM 838 CA GLU C 55 71.211 11.685 7.544 1.00 0.00 C ATOM 839 C GLU C 55 70.029 11.043 8.263 1.00 0.00 C ATOM 840 O GLU C 55 70.208 10.190 9.133 1.00 0.00 O ATOM 841 CB GLU C 55 71.677 12.916 8.324 1.00 0.00 C ATOM 842 CG GLU C 55 72.174 12.487 9.706 1.00 0.00 C ATOM 843 CD GLU C 55 72.487 13.716 10.552 1.00 0.00 C ATOM 844 OE1 GLU C 55 72.280 14.815 10.064 1.00 0.00 O ATOM 845 OE2 GLU C 55 72.930 13.541 11.675 1.00 0.00 O ATOM 0 H GLU C 55 70.570 13.045 6.079 1.00 0.00 H new ATOM 0 HA GLU C 55 72.025 10.962 7.487 1.00 0.00 H new ATOM 0 HB2 GLU C 55 72.474 13.424 7.781 1.00 0.00 H new ATOM 0 HB3 GLU C 55 70.857 13.627 8.425 1.00 0.00 H new ATOM 0 HG2 GLU C 55 71.417 11.878 10.201 1.00 0.00 H new ATOM 0 HG3 GLU C 55 73.066 11.868 9.605 1.00 0.00 H new ATOM 852 N GLU C 56 68.821 11.457 7.893 1.00 0.00 N ATOM 853 CA GLU C 56 67.616 10.915 8.510 1.00 0.00 C ATOM 854 C GLU C 56 67.076 9.746 7.693 1.00 0.00 C ATOM 855 O GLU C 56 66.630 8.742 8.248 1.00 0.00 O ATOM 856 CB GLU C 56 66.548 12.005 8.615 1.00 0.00 C ATOM 857 CG GLU C 56 65.339 11.463 9.380 1.00 0.00 C ATOM 858 CD GLU C 56 64.224 12.503 9.399 1.00 0.00 C ATOM 859 OE1 GLU C 56 64.411 13.554 8.807 1.00 0.00 O ATOM 860 OE2 GLU C 56 63.200 12.235 10.004 1.00 0.00 O ATOM 0 H GLU C 56 68.651 12.161 7.174 1.00 0.00 H new ATOM 0 HA GLU C 56 67.869 10.559 9.508 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.953 12.878 9.126 1.00 0.00 H new ATOM 0 HB3 GLU C 56 66.246 12.330 7.619 1.00 0.00 H new ATOM 0 HG2 GLU C 56 64.983 10.545 8.911 1.00 0.00 H new ATOM 0 HG3 GLU C 56 65.628 11.209 10.400 1.00 0.00 H new ATOM 867 N LEU C 57 67.120 9.884 6.372 1.00 0.00 N ATOM 868 CA LEU C 57 66.631 8.832 5.488 1.00 0.00 C ATOM 869 C LEU C 57 67.015 7.458 6.027 1.00 0.00 C ATOM 870 O LEU C 57 66.216 6.522 5.996 1.00 0.00 O ATOM 871 CB LEU C 57 67.216 9.014 4.086 1.00 0.00 C ATOM 872 CG LEU C 57 66.199 9.732 3.197 1.00 0.00 C ATOM 873 CD1 LEU C 57 66.936 10.559 2.142 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.311 8.697 2.503 1.00 0.00 C ATOM 0 H LEU C 57 67.486 10.707 5.893 1.00 0.00 H new ATOM 0 HA LEU C 57 65.544 8.900 5.440 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.140 9.590 4.138 1.00 0.00 H new ATOM 0 HB3 LEU C 57 67.469 8.044 3.657 1.00 0.00 H new ATOM 0 HG LEU C 57 65.583 10.391 3.809 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.211 11.070 1.509 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.570 11.296 2.635 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.552 9.901 1.529 1.00 0.00 H new ATOM 0 HD21 LEU C 57 64.586 9.207 1.869 1.00 0.00 H new ATOM 0 HD22 LEU C 57 65.929 8.039 1.891 1.00 0.00 H new ATOM 0 HD23 LEU C 57 64.785 8.107 3.254 1.00 0.00 H new ATOM 886 N GLN C 58 68.244 7.344 6.521 1.00 0.00 N ATOM 887 CA GLN C 58 68.723 6.078 7.065 1.00 0.00 C ATOM 888 C GLN C 58 67.633 5.404 7.893 1.00 0.00 C ATOM 889 O GLN C 58 67.522 4.178 7.910 1.00 0.00 O ATOM 890 CB GLN C 58 69.956 6.319 7.939 1.00 0.00 C ATOM 891 CG GLN C 58 70.672 4.990 8.190 1.00 0.00 C ATOM 892 CD GLN C 58 71.685 4.727 7.081 1.00 0.00 C ATOM 893 OE1 GLN C 58 71.735 3.625 6.533 1.00 0.00 O ATOM 894 NE2 GLN C 58 72.500 5.678 6.715 1.00 0.00 N ATOM 0 H GLN C 58 68.921 8.106 6.556 1.00 0.00 H new ATOM 0 HA GLN C 58 68.989 5.424 6.235 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.631 7.021 7.449 1.00 0.00 H new ATOM 0 HB3 GLN C 58 69.661 6.770 8.886 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.176 5.016 9.156 1.00 0.00 H new ATOM 0 HG3 GLN C 58 69.946 4.178 8.231 1.00 0.00 H new ATOM 0 HE21 GLN C 58 72.457 6.590 7.170 1.00 0.00 H new ATOM 0 HE22 GLN C 58 73.180 5.510 5.974 1.00 0.00 H new ATOM 903 N GLU C 59 66.832 6.213 8.579 1.00 0.00 N ATOM 904 CA GLU C 59 65.754 5.684 9.405 1.00 0.00 C ATOM 905 C GLU C 59 64.871 4.741 8.594 1.00 0.00 C ATOM 906 O GLU C 59 64.503 3.664 9.062 1.00 0.00 O ATOM 907 CB GLU C 59 64.907 6.832 9.958 1.00 0.00 C ATOM 908 CG GLU C 59 65.771 7.716 10.859 1.00 0.00 C ATOM 909 CD GLU C 59 66.095 6.981 12.155 1.00 0.00 C ATOM 910 OE1 GLU C 59 65.449 5.981 12.423 1.00 0.00 O ATOM 911 OE2 GLU C 59 66.986 7.427 12.859 1.00 0.00 O ATOM 0 H GLU C 59 66.908 7.230 8.579 1.00 0.00 H new ATOM 0 HA GLU C 59 66.195 5.128 10.232 1.00 0.00 H new ATOM 0 HB2 GLU C 59 64.496 7.422 9.139 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.062 6.436 10.521 1.00 0.00 H new ATOM 0 HG2 GLU C 59 66.693 7.984 10.343 1.00 0.00 H new ATOM 0 HG3 GLU C 59 65.247 8.646 11.080 1.00 0.00 H new ATOM 918 N MET C 60 64.534 5.155 7.377 1.00 0.00 N ATOM 919 CA MET C 60 63.693 4.339 6.509 1.00 0.00 C ATOM 920 C MET C 60 64.387 3.023 6.175 1.00 0.00 C ATOM 921 O MET C 60 63.754 2.078 5.703 1.00 0.00 O ATOM 922 CB MET C 60 63.384 5.098 5.217 1.00 0.00 C ATOM 923 CG MET C 60 62.890 6.506 5.558 1.00 0.00 C ATOM 924 SD MET C 60 61.449 6.393 6.646 1.00 0.00 S ATOM 925 CE MET C 60 60.433 5.351 5.571 1.00 0.00 C ATOM 0 H MET C 60 64.828 6.044 6.972 1.00 0.00 H new ATOM 0 HA MET C 60 62.763 4.123 7.034 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.277 5.155 4.594 1.00 0.00 H new ATOM 0 HB3 MET C 60 62.627 4.565 4.642 1.00 0.00 H new ATOM 0 HG2 MET C 60 63.683 7.073 6.045 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.629 7.042 4.646 1.00 0.00 H new ATOM 0 HE1 MET C 60 59.379 5.545 5.767 1.00 0.00 H new ATOM 0 HE2 MET C 60 60.656 5.578 4.528 1.00 0.00 H new ATOM 0 HE3 MET C 60 60.652 4.302 5.769 1.00 0.00 H new ATOM 935 N ILE C 61 65.691 2.968 6.422 1.00 0.00 N ATOM 936 CA ILE C 61 66.462 1.762 6.143 1.00 0.00 C ATOM 937 C ILE C 61 66.759 1.005 7.434 1.00 0.00 C ATOM 938 O ILE C 61 66.641 -0.219 7.489 1.00 0.00 O ATOM 939 CB ILE C 61 67.776 2.129 5.452 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.474 2.829 4.125 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.586 0.860 5.185 1.00 0.00 C ATOM 942 CD1 ILE C 61 68.768 3.398 3.541 1.00 0.00 C ATOM 0 H ILE C 61 66.233 3.739 6.812 1.00 0.00 H new ATOM 0 HA ILE C 61 65.873 1.122 5.486 1.00 0.00 H new ATOM 0 HB ILE C 61 68.350 2.796 6.095 1.00 0.00 H new ATOM 0 HG12 ILE C 61 67.025 2.125 3.424 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.750 3.629 4.280 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.522 1.123 4.693 1.00 0.00 H new ATOM 0 HG22 ILE C 61 68.801 0.360 6.129 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.013 0.191 4.542 1.00 0.00 H new ATOM 0 HD11 ILE C 61 68.552 3.896 2.596 1.00 0.00 H new ATOM 0 HD12 ILE C 61 69.198 4.116 4.240 1.00 0.00 H new ATOM 0 HD13 ILE C 61 69.477 2.588 3.370 1.00 0.00 H new ATOM 954 N ASP C 62 67.144 1.742 8.471 1.00 0.00 N ATOM 955 CA ASP C 62 67.455 1.130 9.757 1.00 0.00 C ATOM 956 C ASP C 62 66.195 0.554 10.395 1.00 0.00 C ATOM 957 O ASP C 62 66.269 -0.230 11.341 1.00 0.00 O ATOM 958 CB ASP C 62 68.074 2.169 10.694 1.00 0.00 C ATOM 959 CG ASP C 62 69.467 2.548 10.205 1.00 0.00 C ATOM 960 OD1 ASP C 62 69.961 1.881 9.311 1.00 0.00 O ATOM 961 OD2 ASP C 62 70.020 3.499 10.732 1.00 0.00 O ATOM 0 H ASP C 62 67.247 2.756 8.447 1.00 0.00 H new ATOM 0 HA ASP C 62 68.167 0.321 9.590 1.00 0.00 H new ATOM 0 HB2 ASP C 62 67.441 3.055 10.737 1.00 0.00 H new ATOM 0 HB3 ASP C 62 68.131 1.769 11.706 1.00 0.00 H new ATOM 966 N GLU C 63 65.039 0.947 9.870 1.00 0.00 N ATOM 967 CA GLU C 63 63.768 0.462 10.395 1.00 0.00 C ATOM 968 C GLU C 63 63.549 -0.997 10.008 1.00 0.00 C ATOM 969 O GLU C 63 62.724 -1.690 10.603 1.00 0.00 O ATOM 970 CB GLU C 63 62.619 1.314 9.852 1.00 0.00 C ATOM 971 CG GLU C 63 61.323 0.946 10.576 1.00 0.00 C ATOM 972 CD GLU C 63 60.155 1.728 9.985 1.00 0.00 C ATOM 973 OE1 GLU C 63 60.383 2.478 9.050 1.00 0.00 O ATOM 974 OE2 GLU C 63 59.050 1.566 10.476 1.00 0.00 O ATOM 0 H GLU C 63 64.956 1.595 9.087 1.00 0.00 H new ATOM 0 HA GLU C 63 63.794 0.537 11.482 1.00 0.00 H new ATOM 0 HB2 GLU C 63 62.839 2.372 9.993 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.507 1.152 8.780 1.00 0.00 H new ATOM 0 HG2 GLU C 63 61.138 -0.124 10.485 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.416 1.164 11.640 1.00 0.00 H new ATOM 981 N VAL C 64 64.294 -1.456 9.008 1.00 0.00 N ATOM 982 CA VAL C 64 64.173 -2.835 8.550 1.00 0.00 C ATOM 983 C VAL C 64 65.524 -3.365 8.081 1.00 0.00 C ATOM 984 O VAL C 64 65.643 -3.902 6.980 1.00 0.00 O ATOM 985 CB VAL C 64 63.165 -2.918 7.403 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.772 -2.552 7.919 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.571 -1.940 6.297 1.00 0.00 C ATOM 0 H VAL C 64 64.983 -0.898 8.503 1.00 0.00 H new ATOM 0 HA VAL C 64 63.826 -3.445 9.384 1.00 0.00 H new ATOM 0 HB VAL C 64 63.150 -3.933 7.006 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.054 -2.611 7.101 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.482 -3.246 8.708 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.786 -1.537 8.316 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.853 -1.998 5.479 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.586 -0.926 6.696 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.563 -2.199 5.928 1.00 0.00 H new ATOM 997 N ASP C 65 66.540 -3.208 8.924 1.00 0.00 N ATOM 998 CA ASP C 65 67.880 -3.675 8.585 1.00 0.00 C ATOM 999 C ASP C 65 68.324 -4.772 9.547 1.00 0.00 C ATOM 1000 O ASP C 65 69.017 -4.506 10.529 1.00 0.00 O ATOM 1001 CB ASP C 65 68.869 -2.509 8.645 1.00 0.00 C ATOM 1002 CG ASP C 65 70.239 -2.962 8.151 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.547 -4.132 8.311 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.959 -2.133 7.620 1.00 0.00 O ATOM 0 H ASP C 65 66.463 -2.765 9.839 1.00 0.00 H new ATOM 0 HA ASP C 65 67.859 -4.082 7.574 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.507 -1.683 8.033 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.946 -2.139 9.667 1.00 0.00 H new ATOM 1009 N GLU C 66 67.922 -6.005 9.256 1.00 0.00 N ATOM 1010 CA GLU C 66 68.285 -7.135 10.103 1.00 0.00 C ATOM 1011 C GLU C 66 69.457 -7.902 9.499 1.00 0.00 C ATOM 1012 O GLU C 66 69.546 -9.123 9.630 1.00 0.00 O ATOM 1013 CB GLU C 66 67.087 -8.074 10.264 1.00 0.00 C ATOM 1014 CG GLU C 66 65.885 -7.283 10.783 1.00 0.00 C ATOM 1015 CD GLU C 66 66.111 -6.887 12.239 1.00 0.00 C ATOM 1016 OE1 GLU C 66 67.012 -7.439 12.849 1.00 0.00 O ATOM 1017 OE2 GLU C 66 65.380 -6.038 12.721 1.00 0.00 O ATOM 0 H GLU C 66 67.349 -6.246 8.447 1.00 0.00 H new ATOM 0 HA GLU C 66 68.580 -6.752 11.080 1.00 0.00 H new ATOM 0 HB2 GLU C 66 66.845 -8.539 9.308 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.333 -8.879 10.957 1.00 0.00 H new ATOM 0 HG2 GLU C 66 65.735 -6.391 10.174 1.00 0.00 H new ATOM 0 HG3 GLU C 66 64.979 -7.883 10.697 1.00 0.00 H new ATOM 1024 N ASP C 67 70.354 -7.178 8.839 1.00 0.00 N ATOM 1025 CA ASP C 67 71.518 -7.801 8.218 1.00 0.00 C ATOM 1026 C ASP C 67 72.780 -7.000 8.521 1.00 0.00 C ATOM 1027 O ASP C 67 73.890 -7.531 8.477 1.00 0.00 O ATOM 1028 CB ASP C 67 71.318 -7.889 6.704 1.00 0.00 C ATOM 1029 CG ASP C 67 71.108 -6.495 6.124 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.350 -5.535 6.838 1.00 0.00 O ATOM 1031 OD2 ASP C 67 70.709 -6.407 4.975 1.00 0.00 O ATOM 0 H ASP C 67 70.299 -6.166 8.720 1.00 0.00 H new ATOM 0 HA ASP C 67 71.631 -8.805 8.628 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.186 -8.358 6.241 1.00 0.00 H new ATOM 0 HB3 ASP C 67 70.458 -8.519 6.479 1.00 0.00 H new ATOM 1036 N GLY C 68 72.603 -5.719 8.828 1.00 0.00 N ATOM 1037 CA GLY C 68 73.735 -4.854 9.136 1.00 0.00 C ATOM 1038 C GLY C 68 74.454 -4.424 7.863 1.00 0.00 C ATOM 1039 O GLY C 68 75.614 -4.013 7.902 1.00 0.00 O ATOM 0 H GLY C 68 71.693 -5.260 8.870 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.388 -3.974 9.677 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.430 -5.378 9.792 1.00 0.00 H new ATOM 1043 N SER C 69 73.758 -4.520 6.735 1.00 0.00 N ATOM 1044 CA SER C 69 74.341 -4.138 5.454 1.00 0.00 C ATOM 1045 C SER C 69 74.205 -2.635 5.230 1.00 0.00 C ATOM 1046 O SER C 69 75.109 -1.993 4.695 1.00 0.00 O ATOM 1047 CB SER C 69 73.646 -4.890 4.319 1.00 0.00 C ATOM 1048 OG SER C 69 72.375 -4.303 4.076 1.00 0.00 O ATOM 0 H SER C 69 72.797 -4.856 6.681 1.00 0.00 H new ATOM 0 HA SER C 69 75.400 -4.397 5.466 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.255 -4.853 3.416 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.530 -5.941 4.582 1.00 0.00 H new ATOM 0 HG SER C 69 71.672 -4.967 4.237 1.00 0.00 H new ATOM 1054 N GLY C 70 73.070 -2.081 5.643 1.00 0.00 N ATOM 1055 CA GLY C 70 72.826 -0.653 5.482 1.00 0.00 C ATOM 1056 C GLY C 70 71.793 -0.395 4.391 1.00 0.00 C ATOM 1057 O GLY C 70 71.005 0.546 4.478 1.00 0.00 O ATOM 0 H GLY C 70 72.310 -2.595 6.088 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.477 -0.231 6.425 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.758 -0.147 5.232 1.00 0.00 H new ATOM 1061 N THR C 71 71.803 -1.238 3.363 1.00 0.00 N ATOM 1062 CA THR C 71 70.861 -1.092 2.259 1.00 0.00 C ATOM 1063 C THR C 71 69.680 -2.041 2.433 1.00 0.00 C ATOM 1064 O THR C 71 69.811 -3.107 3.034 1.00 0.00 O ATOM 1065 CB THR C 71 71.563 -1.386 0.931 1.00 0.00 C ATOM 1066 OG1 THR C 71 71.521 -2.782 0.674 1.00 0.00 O ATOM 1067 CG2 THR C 71 73.019 -0.923 1.008 1.00 0.00 C ATOM 0 H THR C 71 72.447 -2.023 3.271 1.00 0.00 H new ATOM 0 HA THR C 71 70.491 -0.067 2.255 1.00 0.00 H new ATOM 0 HB THR C 71 71.057 -0.853 0.126 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.215 -3.016 0.023 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.518 -1.133 0.062 1.00 0.00 H new ATOM 0 HG22 THR C 71 73.050 0.149 1.205 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.528 -1.455 1.812 1.00 0.00 H new ATOM 1075 N VAL C 72 68.527 -1.646 1.904 1.00 0.00 N ATOM 1076 CA VAL C 72 67.328 -2.470 2.007 1.00 0.00 C ATOM 1077 C VAL C 72 67.174 -3.349 0.770 1.00 0.00 C ATOM 1078 O VAL C 72 67.683 -3.023 -0.302 1.00 0.00 O ATOM 1079 CB VAL C 72 66.094 -1.579 2.159 1.00 0.00 C ATOM 1080 CG1 VAL C 72 66.424 -0.401 3.077 1.00 0.00 C ATOM 1081 CG2 VAL C 72 65.676 -1.051 0.785 1.00 0.00 C ATOM 0 H VAL C 72 68.397 -0.767 1.403 1.00 0.00 H new ATOM 0 HA VAL C 72 67.424 -3.110 2.884 1.00 0.00 H new ATOM 0 HB VAL C 72 65.278 -2.159 2.591 1.00 0.00 H new ATOM 0 HG11 VAL C 72 65.544 0.234 3.185 1.00 0.00 H new ATOM 0 HG12 VAL C 72 66.724 -0.775 4.056 1.00 0.00 H new ATOM 0 HG13 VAL C 72 67.239 0.179 2.645 1.00 0.00 H new ATOM 0 HG21 VAL C 72 64.797 -0.416 0.891 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.492 -0.471 0.354 1.00 0.00 H new ATOM 0 HG23 VAL C 72 65.441 -1.889 0.129 1.00 0.00 H new ATOM 1091 N ASP C 73 66.469 -4.464 0.927 1.00 0.00 N ATOM 1092 CA ASP C 73 66.254 -5.384 -0.184 1.00 0.00 C ATOM 1093 C ASP C 73 64.820 -5.903 -0.180 1.00 0.00 C ATOM 1094 O ASP C 73 64.033 -5.576 0.708 1.00 0.00 O ATOM 1095 CB ASP C 73 67.226 -6.561 -0.084 1.00 0.00 C ATOM 1096 CG ASP C 73 68.657 -6.073 -0.276 1.00 0.00 C ATOM 1097 OD1 ASP C 73 68.829 -5.019 -0.867 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.562 -6.759 0.170 1.00 0.00 O ATOM 0 H ASP C 73 66.039 -4.751 1.806 1.00 0.00 H new ATOM 0 HA ASP C 73 66.431 -4.846 -1.116 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.125 -7.045 0.887 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.984 -7.309 -0.839 1.00 0.00 H new ATOM 1103 N PHE C 74 64.487 -6.715 -1.179 1.00 0.00 N ATOM 1104 CA PHE C 74 63.145 -7.275 -1.280 1.00 0.00 C ATOM 1105 C PHE C 74 62.746 -7.952 0.027 1.00 0.00 C ATOM 1106 O PHE C 74 61.573 -8.251 0.250 1.00 0.00 O ATOM 1107 CB PHE C 74 63.087 -8.291 -2.422 1.00 0.00 C ATOM 1108 CG PHE C 74 64.213 -9.286 -2.268 1.00 0.00 C ATOM 1109 CD1 PHE C 74 65.483 -8.990 -2.775 1.00 0.00 C ATOM 1110 CD2 PHE C 74 63.986 -10.505 -1.617 1.00 0.00 C ATOM 1111 CE1 PHE C 74 66.527 -9.912 -2.632 1.00 0.00 C ATOM 1112 CE2 PHE C 74 65.029 -11.427 -1.474 1.00 0.00 C ATOM 1113 CZ PHE C 74 66.300 -11.131 -1.982 1.00 0.00 C ATOM 0 H PHE C 74 65.123 -6.998 -1.924 1.00 0.00 H new ATOM 0 HA PHE C 74 62.448 -6.462 -1.482 1.00 0.00 H new ATOM 0 HB2 PHE C 74 62.127 -8.808 -2.415 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.167 -7.780 -3.382 1.00 0.00 H new ATOM 0 HD1 PHE C 74 65.658 -8.050 -3.277 1.00 0.00 H new ATOM 0 HD2 PHE C 74 63.006 -10.734 -1.225 1.00 0.00 H new ATOM 0 HE1 PHE C 74 67.507 -9.683 -3.023 1.00 0.00 H new ATOM 0 HE2 PHE C 74 64.854 -12.367 -0.972 1.00 0.00 H new ATOM 0 HZ PHE C 74 67.105 -11.843 -1.872 1.00 0.00 H new ATOM 1123 N ASP C 75 63.730 -8.192 0.888 1.00 0.00 N ATOM 1124 CA ASP C 75 63.470 -8.835 2.170 1.00 0.00 C ATOM 1125 C ASP C 75 63.133 -7.794 3.233 1.00 0.00 C ATOM 1126 O ASP C 75 62.137 -7.920 3.945 1.00 0.00 O ATOM 1127 CB ASP C 75 64.695 -9.639 2.610 1.00 0.00 C ATOM 1128 CG ASP C 75 64.915 -10.814 1.663 1.00 0.00 C ATOM 1129 OD1 ASP C 75 63.973 -11.187 0.985 1.00 0.00 O ATOM 1130 OD2 ASP C 75 66.024 -11.323 1.630 1.00 0.00 O ATOM 0 H ASP C 75 64.708 -7.953 0.723 1.00 0.00 H new ATOM 0 HA ASP C 75 62.619 -9.506 2.052 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.577 -8.998 2.619 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.555 -10.003 3.628 1.00 0.00 H new ATOM 1135 N GLU C 76 63.970 -6.767 3.335 1.00 0.00 N ATOM 1136 CA GLU C 76 63.751 -5.710 4.315 1.00 0.00 C ATOM 1137 C GLU C 76 62.659 -4.757 3.840 1.00 0.00 C ATOM 1138 O GLU C 76 61.766 -4.391 4.604 1.00 0.00 O ATOM 1139 CB GLU C 76 65.048 -4.930 4.541 1.00 0.00 C ATOM 1140 CG GLU C 76 66.117 -5.868 5.104 1.00 0.00 C ATOM 1141 CD GLU C 76 67.443 -5.128 5.235 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.482 -3.957 4.897 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.402 -5.744 5.672 1.00 0.00 O ATOM 0 H GLU C 76 64.800 -6.644 2.756 1.00 0.00 H new ATOM 0 HA GLU C 76 63.435 -6.169 5.252 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.390 -4.493 3.603 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.873 -4.105 5.232 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.805 -6.246 6.077 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.236 -6.732 4.450 1.00 0.00 H new ATOM 1150 N PHE C 77 62.736 -4.360 2.574 1.00 0.00 N ATOM 1151 CA PHE C 77 61.748 -3.449 2.008 1.00 0.00 C ATOM 1152 C PHE C 77 60.337 -3.982 2.233 1.00 0.00 C ATOM 1153 O PHE C 77 59.488 -3.298 2.804 1.00 0.00 O ATOM 1154 CB PHE C 77 61.997 -3.275 0.508 1.00 0.00 C ATOM 1155 CG PHE C 77 61.340 -2.001 0.033 1.00 0.00 C ATOM 1156 CD1 PHE C 77 61.836 -0.760 0.451 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.236 -2.061 -0.825 1.00 0.00 C ATOM 1158 CE1 PHE C 77 61.227 0.421 0.010 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.627 -0.880 -1.266 1.00 0.00 C ATOM 1160 CZ PHE C 77 60.123 0.361 -0.848 1.00 0.00 C ATOM 0 H PHE C 77 63.466 -4.652 1.925 1.00 0.00 H new ATOM 0 HA PHE C 77 61.843 -2.484 2.506 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.068 -3.241 0.308 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.597 -4.129 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE C 77 62.688 -0.714 1.113 1.00 0.00 H new ATOM 0 HD2 PHE C 77 59.854 -3.018 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE C 77 61.609 1.378 0.332 1.00 0.00 H new ATOM 0 HE2 PHE C 77 58.775 -0.926 -1.928 1.00 0.00 H new ATOM 0 HZ PHE C 77 59.653 1.272 -1.188 1.00 0.00 H new ATOM 1170 N LEU C 78 60.094 -5.208 1.780 1.00 0.00 N ATOM 1171 CA LEU C 78 58.781 -5.823 1.938 1.00 0.00 C ATOM 1172 C LEU C 78 58.211 -5.521 3.320 1.00 0.00 C ATOM 1173 O LEU C 78 57.153 -4.904 3.444 1.00 0.00 O ATOM 1174 CB LEU C 78 58.888 -7.337 1.747 1.00 0.00 C ATOM 1175 CG LEU C 78 58.520 -7.698 0.307 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.982 -9.124 0.004 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.003 -7.607 0.132 1.00 0.00 C ATOM 0 H LEU C 78 60.783 -5.791 1.304 1.00 0.00 H new ATOM 0 HA LEU C 78 58.112 -5.408 1.184 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.901 -7.671 1.969 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.224 -7.850 2.443 1.00 0.00 H new ATOM 0 HG LEU C 78 59.009 -7.005 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.720 -9.381 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU C 78 60.063 -9.191 0.130 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.493 -9.818 0.688 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.739 -7.864 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.515 -8.301 0.817 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.672 -6.591 0.348 1.00 0.00 H new ATOM 1189 N VAL C 79 58.918 -5.961 4.356 1.00 0.00 N ATOM 1190 CA VAL C 79 58.472 -5.732 5.725 1.00 0.00 C ATOM 1191 C VAL C 79 58.149 -4.257 5.944 1.00 0.00 C ATOM 1192 O VAL C 79 57.181 -3.918 6.624 1.00 0.00 O ATOM 1193 CB VAL C 79 59.559 -6.169 6.708 1.00 0.00 C ATOM 1194 CG1 VAL C 79 60.927 -5.724 6.189 1.00 0.00 C ATOM 1195 CG2 VAL C 79 59.299 -5.527 8.073 1.00 0.00 C ATOM 0 H VAL C 79 59.796 -6.474 4.275 1.00 0.00 H new ATOM 0 HA VAL C 79 57.570 -6.319 5.896 1.00 0.00 H new ATOM 0 HB VAL C 79 59.544 -7.254 6.806 1.00 0.00 H new ATOM 0 HG11 VAL C 79 61.701 -6.036 6.890 1.00 0.00 H new ATOM 0 HG12 VAL C 79 61.113 -6.180 5.217 1.00 0.00 H new ATOM 0 HG13 VAL C 79 60.943 -4.639 6.090 1.00 0.00 H new ATOM 0 HG21 VAL C 79 60.073 -5.838 8.775 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.314 -4.442 7.973 1.00 0.00 H new ATOM 0 HG23 VAL C 79 58.324 -5.844 8.444 1.00 0.00 H new ATOM 1205 N MET C 80 58.966 -3.385 5.362 1.00 0.00 N ATOM 1206 CA MET C 80 58.757 -1.948 5.500 1.00 0.00 C ATOM 1207 C MET C 80 57.326 -1.576 5.123 1.00 0.00 C ATOM 1208 O MET C 80 56.827 -0.520 5.511 1.00 0.00 O ATOM 1209 CB MET C 80 59.737 -1.190 4.604 1.00 0.00 C ATOM 1210 CG MET C 80 60.388 -0.058 5.401 1.00 0.00 C ATOM 1211 SD MET C 80 59.100 0.969 6.151 1.00 0.00 S ATOM 1212 CE MET C 80 58.465 1.692 4.619 1.00 0.00 C ATOM 0 H MET C 80 59.773 -3.645 4.795 1.00 0.00 H new ATOM 0 HA MET C 80 58.929 -1.673 6.540 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.501 -1.869 4.227 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.215 -0.785 3.737 1.00 0.00 H new ATOM 0 HG2 MET C 80 61.036 -0.469 6.174 1.00 0.00 H new ATOM 0 HG3 MET C 80 61.016 0.547 4.747 1.00 0.00 H new ATOM 0 HE1 MET C 80 58.456 2.778 4.706 1.00 0.00 H new ATOM 0 HE2 MET C 80 59.105 1.400 3.786 1.00 0.00 H new ATOM 0 HE3 MET C 80 57.451 1.334 4.440 1.00 0.00 H new ATOM 1222 N MET C 81 56.673 -2.451 4.365 1.00 0.00 N ATOM 1223 CA MET C 81 55.300 -2.203 3.942 1.00 0.00 C ATOM 1224 C MET C 81 54.315 -2.764 4.962 1.00 0.00 C ATOM 1225 O MET C 81 53.348 -2.101 5.336 1.00 0.00 O ATOM 1226 CB MET C 81 55.049 -2.850 2.578 1.00 0.00 C ATOM 1227 CG MET C 81 55.632 -1.963 1.477 1.00 0.00 C ATOM 1228 SD MET C 81 57.394 -1.690 1.791 1.00 0.00 S ATOM 1229 CE MET C 81 57.384 0.108 1.594 1.00 0.00 C ATOM 0 H MET C 81 57.068 -3.331 4.034 1.00 0.00 H new ATOM 0 HA MET C 81 55.152 -1.126 3.866 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.506 -3.839 2.543 1.00 0.00 H new ATOM 0 HB3 MET C 81 53.979 -2.988 2.420 1.00 0.00 H new ATOM 0 HG2 MET C 81 55.494 -2.435 0.504 1.00 0.00 H new ATOM 0 HG3 MET C 81 55.105 -1.009 1.447 1.00 0.00 H new ATOM 0 HE1 MET C 81 58.383 0.500 1.783 1.00 0.00 H new ATOM 0 HE2 MET C 81 57.081 0.361 0.578 1.00 0.00 H new ATOM 0 HE3 MET C 81 56.682 0.548 2.302 1.00 0.00 H new ATOM 1239 N VAL C 82 54.567 -3.990 5.409 1.00 0.00 N ATOM 1240 CA VAL C 82 53.696 -4.631 6.387 1.00 0.00 C ATOM 1241 C VAL C 82 53.593 -3.783 7.650 1.00 0.00 C ATOM 1242 O VAL C 82 52.513 -3.630 8.221 1.00 0.00 O ATOM 1243 CB VAL C 82 54.239 -6.016 6.742 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.247 -6.734 7.658 1.00 0.00 C ATOM 1245 CG2 VAL C 82 54.430 -6.831 5.461 1.00 0.00 C ATOM 0 H VAL C 82 55.362 -4.556 5.112 1.00 0.00 H new ATOM 0 HA VAL C 82 52.703 -4.732 5.950 1.00 0.00 H new ATOM 0 HB VAL C 82 55.196 -5.911 7.254 1.00 0.00 H new ATOM 0 HG11 VAL C 82 53.634 -7.721 7.911 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.109 -6.154 8.570 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.290 -6.840 7.147 1.00 0.00 H new ATOM 0 HG21 VAL C 82 54.817 -7.818 5.712 1.00 0.00 H new ATOM 0 HG22 VAL C 82 53.473 -6.936 4.950 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.136 -6.320 4.807 1.00 0.00 H new ATOM 1255 N ARG C 83 54.724 -3.235 8.082 1.00 0.00 N ATOM 1256 CA ARG C 83 54.750 -2.404 9.280 1.00 0.00 C ATOM 1257 C ARG C 83 53.811 -1.212 9.126 1.00 0.00 C ATOM 1258 O ARG C 83 53.244 -0.725 10.105 1.00 0.00 O ATOM 1259 CB ARG C 83 56.173 -1.904 9.539 1.00 0.00 C ATOM 1260 CG ARG C 83 57.039 -3.064 10.034 1.00 0.00 C ATOM 1261 CD ARG C 83 56.959 -3.147 11.559 1.00 0.00 C ATOM 1262 NE ARG C 83 57.765 -4.259 12.047 1.00 0.00 N ATOM 1263 CZ ARG C 83 58.174 -4.309 13.311 1.00 0.00 C ATOM 1264 NH1 ARG C 83 57.854 -3.352 14.138 1.00 0.00 N ATOM 1265 NH2 ARG C 83 58.895 -5.315 13.725 1.00 0.00 N ATOM 0 H ARG C 83 55.628 -3.350 7.624 1.00 0.00 H new ATOM 0 HA ARG C 83 54.418 -3.008 10.125 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.595 -1.485 8.625 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.160 -1.104 10.279 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.700 -4.000 9.590 1.00 0.00 H new ATOM 0 HG3 ARG C 83 58.073 -2.919 9.721 1.00 0.00 H new ATOM 0 HD2 ARG C 83 57.309 -2.214 12.000 1.00 0.00 H new ATOM 0 HD3 ARG C 83 55.922 -3.277 11.869 1.00 0.00 H new ATOM 0 HE ARG C 83 58.020 -5.012 11.408 1.00 0.00 H new ATOM 0 HH11 ARG C 83 57.290 -2.566 13.815 1.00 0.00 H new ATOM 0 HH12 ARG C 83 58.168 -3.390 15.108 1.00 0.00 H new ATOM 0 HH21 ARG C 83 59.145 -6.063 13.079 1.00 0.00 H new ATOM 0 HH22 ARG C 83 59.209 -5.353 14.695 1.00 0.00 H new ATOM 1279 N CYS C 84 53.650 -0.747 7.891 1.00 0.00 N ATOM 1280 CA CYS C 84 52.777 0.389 7.621 1.00 0.00 C ATOM 1281 C CYS C 84 51.537 -0.059 6.853 1.00 0.00 C ATOM 1282 O CYS C 84 51.108 0.603 5.908 1.00 0.00 O ATOM 1283 CB CYS C 84 53.529 1.445 6.809 1.00 0.00 C ATOM 1284 SG CYS C 84 54.656 2.352 7.895 1.00 0.00 S ATOM 0 H CYS C 84 54.109 -1.136 7.067 1.00 0.00 H new ATOM 0 HA CYS C 84 52.465 0.818 8.573 1.00 0.00 H new ATOM 0 HB2 CYS C 84 54.088 0.969 6.003 1.00 0.00 H new ATOM 0 HB3 CYS C 84 52.823 2.133 6.344 1.00 0.00 H new ATOM 0 HG CYS C 84 55.297 3.248 7.205 1.00 0.00 H new ATOM 1290 N MET C 85 50.968 -1.187 7.265 1.00 0.00 N ATOM 1291 CA MET C 85 49.777 -1.714 6.608 1.00 0.00 C ATOM 1292 C MET C 85 48.638 -0.702 6.671 1.00 0.00 C ATOM 1293 O MET C 85 48.317 -0.052 5.676 1.00 0.00 O ATOM 1294 CB MET C 85 49.343 -3.017 7.282 1.00 0.00 C ATOM 1295 CG MET C 85 49.421 -4.165 6.273 1.00 0.00 C ATOM 1296 SD MET C 85 49.020 -5.724 7.099 1.00 0.00 S ATOM 1297 CE MET C 85 49.377 -6.819 5.704 1.00 0.00 C ATOM 0 H MET C 85 51.309 -1.750 8.044 1.00 0.00 H new ATOM 0 HA MET C 85 50.017 -1.908 5.563 1.00 0.00 H new ATOM 0 HB2 MET C 85 49.984 -3.227 8.138 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.326 -2.921 7.662 1.00 0.00 H new ATOM 0 HG2 MET C 85 48.728 -3.988 5.451 1.00 0.00 H new ATOM 0 HG3 MET C 85 50.421 -4.217 5.842 1.00 0.00 H new ATOM 0 HE1 MET C 85 49.194 -7.853 5.997 1.00 0.00 H new ATOM 0 HE2 MET C 85 48.733 -6.560 4.864 1.00 0.00 H new ATOM 0 HE3 MET C 85 50.420 -6.705 5.410 1.00 0.00 H new ATOM 1307 N LYS C 86 48.030 -0.575 7.846 1.00 0.00 N ATOM 1308 CA LYS C 86 46.927 0.362 8.026 1.00 0.00 C ATOM 1309 C LYS C 86 47.079 1.123 9.339 1.00 0.00 C ATOM 1310 O LYS C 86 47.559 0.577 10.333 1.00 0.00 O ATOM 1311 CB LYS C 86 45.596 -0.393 8.023 1.00 0.00 C ATOM 1312 CG LYS C 86 44.442 0.607 7.930 1.00 0.00 C ATOM 1313 CD LYS C 86 43.110 -0.136 8.050 1.00 0.00 C ATOM 1314 CE LYS C 86 41.956 0.842 7.825 1.00 0.00 C ATOM 1315 NZ LYS C 86 40.663 0.102 7.856 1.00 0.00 N ATOM 0 H LYS C 86 48.280 -1.104 8.681 1.00 0.00 H new ATOM 0 HA LYS C 86 46.943 1.075 7.202 1.00 0.00 H new ATOM 0 HB2 LYS C 86 45.560 -1.085 7.182 1.00 0.00 H new ATOM 0 HB3 LYS C 86 45.502 -0.989 8.930 1.00 0.00 H new ATOM 0 HG2 LYS C 86 44.528 1.351 8.722 1.00 0.00 H new ATOM 0 HG3 LYS C 86 44.487 1.143 6.982 1.00 0.00 H new ATOM 0 HD2 LYS C 86 43.065 -0.943 7.318 1.00 0.00 H new ATOM 0 HD3 LYS C 86 43.025 -0.594 9.035 1.00 0.00 H new ATOM 0 HE2 LYS C 86 41.964 1.614 8.595 1.00 0.00 H new ATOM 0 HE3 LYS C 86 42.075 1.347 6.866 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 39.878 0.767 7.703 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 40.657 -0.618 7.106 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 40.550 -0.360 8.781 1.00 0.00 H new ATOM 1329 N ASP C 87 46.668 2.387 9.335 1.00 0.00 N ATOM 1330 CA ASP C 87 46.764 3.215 10.532 1.00 0.00 C ATOM 1331 C ASP C 87 45.525 3.040 11.405 1.00 0.00 C ATOM 1332 O ASP C 87 44.407 3.328 10.979 1.00 0.00 O ATOM 1333 CB ASP C 87 46.910 4.686 10.140 1.00 0.00 C ATOM 1334 CG ASP C 87 47.259 5.521 11.367 1.00 0.00 C ATOM 1335 OD1 ASP C 87 47.514 4.934 12.405 1.00 0.00 O ATOM 1336 OD2 ASP C 87 47.268 6.735 11.250 1.00 0.00 O ATOM 0 H ASP C 87 46.268 2.858 8.523 1.00 0.00 H new ATOM 0 HA ASP C 87 47.641 2.902 11.098 1.00 0.00 H new ATOM 0 HB2 ASP C 87 47.687 4.794 9.384 1.00 0.00 H new ATOM 0 HB3 ASP C 87 45.982 5.047 9.697 1.00 0.00 H new ATOM 1341 N ASP C 88 45.733 2.566 12.630 1.00 0.00 N ATOM 1342 CA ASP C 88 44.625 2.356 13.555 1.00 0.00 C ATOM 1343 C ASP C 88 45.113 2.425 14.998 1.00 0.00 C ATOM 1344 O ASP C 88 44.608 1.715 15.869 1.00 0.00 O ATOM 1345 CB ASP C 88 43.979 0.994 13.297 1.00 0.00 C ATOM 1346 CG ASP C 88 44.987 -0.120 13.561 1.00 0.00 C ATOM 1347 OD1 ASP C 88 46.039 0.177 14.102 1.00 0.00 O ATOM 1348 OD2 ASP C 88 44.692 -1.253 13.218 1.00 0.00 O ATOM 0 H ASP C 88 46.651 2.322 13.003 1.00 0.00 H new ATOM 0 HA ASP C 88 43.888 3.143 13.394 1.00 0.00 H new ATOM 0 HB2 ASP C 88 43.108 0.868 13.940 1.00 0.00 H new ATOM 0 HB3 ASP C 88 43.625 0.939 12.267 1.00 0.00 H new ATOM 1353 N SER C 89 46.097 3.284 15.245 1.00 0.00 N ATOM 1354 CA SER C 89 46.645 3.437 16.588 1.00 0.00 C ATOM 1355 C SER C 89 45.998 4.620 17.299 1.00 0.00 C ATOM 1356 O SER C 89 45.574 4.446 18.430 1.00 0.00 O ATOM 1357 CB SER C 89 48.157 3.649 16.512 1.00 0.00 C ATOM 1358 OG SER C 89 48.769 3.078 17.661 1.00 0.00 O ATOM 1359 OXT SER C 89 45.935 5.683 16.703 1.00 0.00 O ATOM 0 H SER C 89 46.528 3.880 14.539 1.00 0.00 H new ATOM 0 HA SER C 89 46.433 2.529 17.153 1.00 0.00 H new ATOM 0 HB2 SER C 89 48.555 3.190 15.607 1.00 0.00 H new ATOM 0 HB3 SER C 89 48.384 4.714 16.456 1.00 0.00 H new ATOM 0 HG SER C 89 49.739 3.210 17.615 1.00 0.00 H new ATOM 1430 N ASP I 119 50.541 3.745 2.346 1.00 0.00 N ATOM 1431 CA ASP I 119 49.452 4.199 1.489 1.00 0.00 C ATOM 1432 C ASP I 119 49.889 5.402 0.659 1.00 0.00 C ATOM 1433 O ASP I 119 49.618 5.472 -0.540 1.00 0.00 O ATOM 1434 CB ASP I 119 48.240 4.578 2.342 1.00 0.00 C ATOM 1435 CG ASP I 119 47.002 4.703 1.460 1.00 0.00 C ATOM 1436 OD1 ASP I 119 47.099 4.385 0.287 1.00 0.00 O ATOM 1437 OD2 ASP I 119 45.974 5.116 1.972 1.00 0.00 O ATOM 0 HA ASP I 119 49.182 3.386 0.815 1.00 0.00 H new ATOM 0 HB2 ASP I 119 48.075 3.823 3.110 1.00 0.00 H new ATOM 0 HB3 ASP I 119 48.427 5.521 2.857 1.00 0.00 H new ATOM 1442 N ALA I 120 50.566 6.345 1.305 1.00 0.00 N ATOM 1443 CA ALA I 120 51.036 7.542 0.616 1.00 0.00 C ATOM 1444 C ALA I 120 52.031 7.172 -0.480 1.00 0.00 C ATOM 1445 O ALA I 120 51.857 7.545 -1.641 1.00 0.00 O ATOM 1446 CB ALA I 120 51.702 8.492 1.613 1.00 0.00 C ATOM 0 H ALA I 120 50.800 6.305 2.297 1.00 0.00 H new ATOM 0 HA ALA I 120 50.178 8.037 0.161 1.00 0.00 H new ATOM 0 HB1 ALA I 120 52.050 9.383 1.090 1.00 0.00 H new ATOM 0 HB2 ALA I 120 50.982 8.779 2.379 1.00 0.00 H new ATOM 0 HB3 ALA I 120 52.550 7.992 2.081 1.00 0.00 H new ATOM 1452 N MET I 121 53.073 6.439 -0.103 1.00 0.00 N ATOM 1453 CA MET I 121 54.090 6.025 -1.063 1.00 0.00 C ATOM 1454 C MET I 121 53.458 5.242 -2.210 1.00 0.00 C ATOM 1455 O MET I 121 53.965 5.247 -3.331 1.00 0.00 O ATOM 1456 CB MET I 121 55.141 5.157 -0.369 1.00 0.00 C ATOM 1457 CG MET I 121 56.319 4.924 -1.317 1.00 0.00 C ATOM 1458 SD MET I 121 57.297 3.518 -0.730 1.00 0.00 S ATOM 1459 CE MET I 121 56.090 2.226 -1.114 1.00 0.00 C ATOM 0 H MET I 121 53.235 6.121 0.853 1.00 0.00 H new ATOM 0 HA MET I 121 54.566 6.919 -1.467 1.00 0.00 H new ATOM 0 HB2 MET I 121 55.486 5.644 0.543 1.00 0.00 H new ATOM 0 HB3 MET I 121 54.703 4.203 -0.075 1.00 0.00 H new ATOM 0 HG2 MET I 121 55.955 4.731 -2.326 1.00 0.00 H new ATOM 0 HG3 MET I 121 56.941 5.818 -1.368 1.00 0.00 H new ATOM 0 HE1 MET I 121 56.613 1.312 -1.396 1.00 0.00 H new ATOM 0 HE2 MET I 121 55.471 2.034 -0.237 1.00 0.00 H new ATOM 0 HE3 MET I 121 55.458 2.552 -1.940 1.00 0.00 H new ATOM 1469 N LEU I 122 52.347 4.572 -1.920 1.00 0.00 N ATOM 1470 CA LEU I 122 51.654 3.788 -2.935 1.00 0.00 C ATOM 1471 C LEU I 122 50.854 4.698 -3.861 1.00 0.00 C ATOM 1472 O LEU I 122 50.626 4.370 -5.026 1.00 0.00 O ATOM 1473 CB LEU I 122 50.713 2.783 -2.266 1.00 0.00 C ATOM 1474 CG LEU I 122 51.444 1.455 -2.065 1.00 0.00 C ATOM 1475 CD1 LEU I 122 52.892 1.725 -1.653 1.00 0.00 C ATOM 1476 CD2 LEU I 122 50.744 0.650 -0.967 1.00 0.00 C ATOM 0 H LEU I 122 51.911 4.556 -0.998 1.00 0.00 H new ATOM 0 HA LEU I 122 52.398 3.252 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU I 122 50.372 3.171 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU I 122 49.827 2.633 -2.882 1.00 0.00 H new ATOM 0 HG LEU I 122 51.432 0.889 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU I 122 53.412 0.778 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU I 122 53.391 2.299 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU I 122 52.906 2.291 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU I 122 51.264 -0.297 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU I 122 50.757 1.217 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU I 122 49.712 0.456 -1.260 1.00 0.00 H new