USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 693 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 69 SER OG : rot -91:sc= 1.21 USER MOD Set 1.2: C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ -167:sc= -1.17 (180deg=-1.34) USER MOD Single : C 11 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.0298 USER MOD Single : C 16 GLN : amide:sc= -0.167 K(o=-0.17,f=-3.8!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.81) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -170:sc= -0.775 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot -83:sc= -0.0121 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -152:sc= -0.521 (180deg=-2.64!) USER MOD Single : C 45 MET CE :methyl -157:sc= -6.69! (180deg=-7.66!) USER MOD Single : C 47 MET CE :methyl -143:sc= -0.495 (180deg=-1.78!) USER MOD Single : C 50 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.91) USER MOD Single : C 51 ASN : amide:sc= -0.0214 X(o=-0.021,f=-0.17) USER MOD Single : C 53 THR OG1 : rot 170:sc= -0.532 USER MOD Single : C 58 GLN : amide:sc= -4.45! C(o=-4.4!,f=-14!) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl -144:sc= -0.259 (180deg=-1.27) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot -48:sc= -0.938 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 3 SER OG : rot 5:sc= 0.782 USER MOD Single : I 7 MET CE :methyl -126:sc= -6.3! (180deg=-8.73!) USER MOD Single : I 8 MET CE :methyl -135:sc= -10.6! (180deg=-14.6!) USER MOD Single : I 9 GLN : amide:sc= -2.06! K(o=-2.1!,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 55.005 -11.949 13.925 1.00 0.00 N ATOM 45 CA ILE C 4 53.886 -11.003 13.645 1.00 0.00 C ATOM 46 C ILE C 4 54.072 -10.357 12.271 1.00 0.00 C ATOM 47 O ILE C 4 53.120 -9.970 11.622 1.00 0.00 O ATOM 48 CB ILE C 4 53.970 -9.950 14.750 1.00 0.00 C ATOM 49 CG1 ILE C 4 53.548 -10.576 16.081 1.00 0.00 C ATOM 50 CG2 ILE C 4 53.033 -8.787 14.416 1.00 0.00 C ATOM 51 CD1 ILE C 4 54.630 -10.319 17.133 1.00 0.00 C ATOM 0 HA ILE C 4 52.917 -11.502 13.632 1.00 0.00 H new ATOM 0 HB ILE C 4 54.993 -9.583 14.827 1.00 0.00 H new ATOM 0 HG12 ILE C 4 52.599 -10.152 16.409 1.00 0.00 H new ATOM 0 HG13 ILE C 4 53.393 -11.648 15.958 1.00 0.00 H new ATOM 0 HG21 ILE C 4 53.092 -8.035 15.203 1.00 0.00 H new ATOM 0 HG22 ILE C 4 53.330 -8.342 13.466 1.00 0.00 H new ATOM 0 HG23 ILE C 4 52.010 -9.154 14.341 1.00 0.00 H new ATOM 0 HD11 ILE C 4 54.329 -10.765 18.081 1.00 0.00 H new ATOM 0 HD12 ILE C 4 55.570 -10.764 16.805 1.00 0.00 H new ATOM 0 HD13 ILE C 4 54.763 -9.245 17.263 1.00 0.00 H new ATOM 63 N TYR C 5 55.292 -10.239 11.822 1.00 0.00 N ATOM 64 CA TYR C 5 55.540 -9.619 10.489 1.00 0.00 C ATOM 65 C TYR C 5 55.692 -10.708 9.424 1.00 0.00 C ATOM 66 O TYR C 5 54.937 -10.771 8.474 1.00 0.00 O ATOM 67 CB TYR C 5 56.847 -8.842 10.651 1.00 0.00 C ATOM 68 CG TYR C 5 56.641 -7.710 11.630 1.00 0.00 C ATOM 69 CD1 TYR C 5 56.859 -7.920 12.997 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.232 -6.452 11.170 1.00 0.00 C ATOM 71 CE1 TYR C 5 56.667 -6.871 13.904 1.00 0.00 C ATOM 72 CE2 TYR C 5 56.041 -5.405 12.078 1.00 0.00 C ATOM 73 CZ TYR C 5 56.259 -5.614 13.444 1.00 0.00 C ATOM 74 OH TYR C 5 56.071 -4.581 14.340 1.00 0.00 O ATOM 0 H TYR C 5 56.128 -10.545 12.320 1.00 0.00 H new ATOM 0 HA TYR C 5 54.720 -8.974 10.172 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.635 -9.505 11.006 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.171 -8.449 9.687 1.00 0.00 H new ATOM 0 HD1 TYR C 5 57.175 -8.890 13.351 1.00 0.00 H new ATOM 0 HD2 TYR C 5 56.064 -6.290 10.115 1.00 0.00 H new ATOM 0 HE1 TYR C 5 56.834 -7.032 14.959 1.00 0.00 H new ATOM 0 HE2 TYR C 5 55.725 -4.435 11.724 1.00 0.00 H new ATOM 0 HH TYR C 5 55.789 -3.776 13.857 1.00 0.00 H new ATOM 84 N LYS C 6 56.662 -11.567 9.576 1.00 0.00 N ATOM 85 CA LYS C 6 56.859 -12.653 8.573 1.00 0.00 C ATOM 86 C LYS C 6 55.510 -13.274 8.206 1.00 0.00 C ATOM 87 O LYS C 6 55.280 -13.662 7.079 1.00 0.00 O ATOM 88 CB LYS C 6 57.752 -13.680 9.269 1.00 0.00 C ATOM 89 CG LYS C 6 59.137 -13.673 8.621 1.00 0.00 C ATOM 90 CD LYS C 6 59.289 -14.904 7.726 1.00 0.00 C ATOM 91 CE LYS C 6 59.413 -14.462 6.266 1.00 0.00 C ATOM 92 NZ LYS C 6 58.230 -15.055 5.582 1.00 0.00 N ATOM 0 H LYS C 6 57.326 -11.565 10.350 1.00 0.00 H new ATOM 0 HA LYS C 6 57.307 -12.289 7.648 1.00 0.00 H new ATOM 0 HB2 LYS C 6 57.834 -13.446 10.330 1.00 0.00 H new ATOM 0 HB3 LYS C 6 57.309 -14.673 9.195 1.00 0.00 H new ATOM 0 HG2 LYS C 6 59.270 -12.765 8.033 1.00 0.00 H new ATOM 0 HG3 LYS C 6 59.910 -13.672 9.390 1.00 0.00 H new ATOM 0 HD2 LYS C 6 60.170 -15.474 8.020 1.00 0.00 H new ATOM 0 HD3 LYS C 6 58.429 -15.562 7.846 1.00 0.00 H new ATOM 0 HE2 LYS C 6 59.414 -13.375 6.181 1.00 0.00 H new ATOM 0 HE3 LYS C 6 60.344 -14.817 5.824 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 58.355 -14.987 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 58.136 -16.054 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 57.372 -14.538 5.862 1.00 0.00 H new ATOM 106 N ALA C 7 54.613 -13.366 9.151 1.00 0.00 N ATOM 107 CA ALA C 7 53.278 -13.958 8.855 1.00 0.00 C ATOM 108 C ALA C 7 52.555 -13.107 7.809 1.00 0.00 C ATOM 109 O ALA C 7 51.946 -13.619 6.890 1.00 0.00 O ATOM 110 CB ALA C 7 52.528 -13.931 10.187 1.00 0.00 C ATOM 0 H ALA C 7 54.747 -13.057 10.114 1.00 0.00 H new ATOM 0 HA ALA C 7 53.348 -14.969 8.453 1.00 0.00 H new ATOM 0 HB1 ALA C 7 51.532 -14.352 10.052 1.00 0.00 H new ATOM 0 HB2 ALA C 7 53.074 -14.520 10.924 1.00 0.00 H new ATOM 0 HB3 ALA C 7 52.443 -12.902 10.536 1.00 0.00 H new ATOM 116 N ALA C 8 52.622 -11.810 7.938 1.00 0.00 N ATOM 117 CA ALA C 8 51.945 -10.926 6.947 1.00 0.00 C ATOM 118 C ALA C 8 52.671 -11.002 5.602 1.00 0.00 C ATOM 119 O ALA C 8 52.099 -10.760 4.558 1.00 0.00 O ATOM 120 CB ALA C 8 52.047 -9.518 7.533 1.00 0.00 C ATOM 0 H ALA C 8 53.116 -11.324 8.687 1.00 0.00 H new ATOM 0 HA ALA C 8 50.909 -11.216 6.771 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.569 -8.808 6.858 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.548 -9.490 8.502 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.096 -9.251 7.657 1.00 0.00 H new ATOM 126 N VAL C 9 53.932 -11.340 5.623 1.00 0.00 N ATOM 127 CA VAL C 9 54.702 -11.438 4.351 1.00 0.00 C ATOM 128 C VAL C 9 54.314 -12.716 3.605 1.00 0.00 C ATOM 129 O VAL C 9 54.071 -12.704 2.415 1.00 0.00 O ATOM 130 CB VAL C 9 56.168 -11.494 4.781 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.070 -11.325 3.558 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.449 -10.366 5.778 1.00 0.00 C ATOM 0 H VAL C 9 54.462 -11.553 6.468 1.00 0.00 H new ATOM 0 HA VAL C 9 54.506 -10.602 3.680 1.00 0.00 H new ATOM 0 HB VAL C 9 56.370 -12.457 5.250 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.114 -11.365 3.868 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.871 -12.126 2.846 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.868 -10.363 3.087 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.494 -10.404 6.086 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.245 -9.405 5.307 1.00 0.00 H new ATOM 0 HG23 VAL C 9 55.809 -10.485 6.652 1.00 0.00 H new ATOM 142 N GLU C 10 54.255 -13.817 4.300 1.00 0.00 N ATOM 143 CA GLU C 10 53.881 -15.099 3.636 1.00 0.00 C ATOM 144 C GLU C 10 52.470 -14.998 3.048 1.00 0.00 C ATOM 145 O GLU C 10 52.126 -15.695 2.114 1.00 0.00 O ATOM 146 CB GLU C 10 53.928 -16.147 4.749 1.00 0.00 C ATOM 147 CG GLU C 10 55.370 -16.621 4.943 1.00 0.00 C ATOM 148 CD GLU C 10 55.892 -17.220 3.635 1.00 0.00 C ATOM 149 OE1 GLU C 10 55.279 -18.155 3.148 1.00 0.00 O ATOM 150 OE2 GLU C 10 56.897 -16.732 3.143 1.00 0.00 O ATOM 0 H GLU C 10 54.449 -13.886 5.299 1.00 0.00 H new ATOM 0 HA GLU C 10 54.549 -15.350 2.812 1.00 0.00 H new ATOM 0 HB2 GLU C 10 53.545 -15.724 5.678 1.00 0.00 H new ATOM 0 HB3 GLU C 10 53.287 -16.992 4.495 1.00 0.00 H new ATOM 0 HG2 GLU C 10 56.000 -15.786 5.250 1.00 0.00 H new ATOM 0 HG3 GLU C 10 55.416 -17.364 5.739 1.00 0.00 H new ATOM 157 N GLN C 11 51.651 -14.135 3.587 1.00 0.00 N ATOM 158 CA GLN C 11 50.265 -13.990 3.055 1.00 0.00 C ATOM 159 C GLN C 11 50.289 -13.233 1.724 1.00 0.00 C ATOM 160 O GLN C 11 49.266 -13.003 1.110 1.00 0.00 O ATOM 161 CB GLN C 11 49.514 -13.182 4.113 1.00 0.00 C ATOM 162 CG GLN C 11 49.197 -14.077 5.312 1.00 0.00 C ATOM 163 CD GLN C 11 48.380 -13.287 6.337 1.00 0.00 C ATOM 164 OE1 GLN C 11 48.483 -12.078 6.411 1.00 0.00 O ATOM 165 NE2 GLN C 11 47.567 -13.921 7.136 1.00 0.00 N ATOM 0 H GLN C 11 51.881 -13.525 4.371 1.00 0.00 H new ATOM 0 HA GLN C 11 49.793 -14.954 2.868 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.116 -12.331 4.431 1.00 0.00 H new ATOM 0 HB3 GLN C 11 48.592 -12.781 3.692 1.00 0.00 H new ATOM 0 HG2 GLN C 11 48.640 -14.955 4.986 1.00 0.00 H new ATOM 0 HG3 GLN C 11 50.121 -14.436 5.766 1.00 0.00 H new ATOM 0 HE21 GLN C 11 47.480 -14.935 7.075 1.00 0.00 H new ATOM 0 HE22 GLN C 11 47.018 -13.402 7.822 1.00 0.00 H new ATOM 174 N LEU C 12 51.451 -12.844 1.273 1.00 0.00 N ATOM 175 CA LEU C 12 51.541 -12.100 -0.015 1.00 0.00 C ATOM 176 C LEU C 12 50.961 -12.939 -1.157 1.00 0.00 C ATOM 177 O LEU C 12 51.349 -14.071 -1.369 1.00 0.00 O ATOM 178 CB LEU C 12 53.036 -11.864 -0.232 1.00 0.00 C ATOM 179 CG LEU C 12 53.436 -10.520 0.380 1.00 0.00 C ATOM 180 CD1 LEU C 12 54.940 -10.513 0.655 1.00 0.00 C ATOM 181 CD2 LEU C 12 53.091 -9.394 -0.596 1.00 0.00 C ATOM 0 H LEU C 12 52.342 -13.010 1.741 1.00 0.00 H new ATOM 0 HA LEU C 12 50.978 -11.167 0.009 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.612 -12.669 0.225 1.00 0.00 H new ATOM 0 HB3 LEU C 12 53.265 -11.873 -1.298 1.00 0.00 H new ATOM 0 HG LEU C 12 52.895 -10.370 1.314 1.00 0.00 H new ATOM 0 HD11 LEU C 12 55.226 -9.556 1.091 1.00 0.00 H new ATOM 0 HD12 LEU C 12 55.187 -11.316 1.349 1.00 0.00 H new ATOM 0 HD13 LEU C 12 55.481 -10.662 -0.279 1.00 0.00 H new ATOM 0 HD21 LEU C 12 53.375 -8.436 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU C 12 53.632 -9.544 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU C 12 52.019 -9.399 -0.793 1.00 0.00 H new ATOM 193 N THR C 13 50.039 -12.389 -1.899 1.00 0.00 N ATOM 194 CA THR C 13 49.439 -13.152 -3.033 1.00 0.00 C ATOM 195 C THR C 13 50.097 -12.731 -4.348 1.00 0.00 C ATOM 196 O THR C 13 50.913 -11.832 -4.384 1.00 0.00 O ATOM 197 CB THR C 13 47.958 -12.774 -3.026 1.00 0.00 C ATOM 198 OG1 THR C 13 47.813 -11.440 -2.556 1.00 0.00 O ATOM 199 CG2 THR C 13 47.187 -13.727 -2.111 1.00 0.00 C ATOM 0 H THR C 13 49.675 -11.445 -1.770 1.00 0.00 H new ATOM 0 HA THR C 13 49.581 -14.228 -2.934 1.00 0.00 H new ATOM 0 HB THR C 13 47.561 -12.848 -4.038 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.864 -11.196 -2.553 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.132 -13.455 -2.108 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.297 -14.749 -2.474 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.582 -13.658 -1.098 1.00 0.00 H new ATOM 207 N GLU C 14 49.749 -13.369 -5.433 1.00 0.00 N ATOM 208 CA GLU C 14 50.360 -12.995 -6.740 1.00 0.00 C ATOM 209 C GLU C 14 49.927 -11.583 -7.142 1.00 0.00 C ATOM 210 O GLU C 14 50.738 -10.755 -7.505 1.00 0.00 O ATOM 211 CB GLU C 14 49.828 -14.023 -7.739 1.00 0.00 C ATOM 212 CG GLU C 14 50.675 -13.981 -9.013 1.00 0.00 C ATOM 213 CD GLU C 14 49.824 -14.404 -10.210 1.00 0.00 C ATOM 214 OE1 GLU C 14 48.778 -13.808 -10.409 1.00 0.00 O ATOM 215 OE2 GLU C 14 50.233 -15.316 -10.910 1.00 0.00 O ATOM 0 H GLU C 14 49.071 -14.130 -5.471 1.00 0.00 H new ATOM 0 HA GLU C 14 51.449 -12.994 -6.699 1.00 0.00 H new ATOM 0 HB2 GLU C 14 49.859 -15.021 -7.302 1.00 0.00 H new ATOM 0 HB3 GLU C 14 48.785 -13.811 -7.975 1.00 0.00 H new ATOM 0 HG2 GLU C 14 51.065 -12.975 -9.169 1.00 0.00 H new ATOM 0 HG3 GLU C 14 51.534 -14.644 -8.912 1.00 0.00 H new ATOM 222 N GLU C 15 48.654 -11.304 -7.081 1.00 0.00 N ATOM 223 CA GLU C 15 48.167 -9.946 -7.462 1.00 0.00 C ATOM 224 C GLU C 15 48.815 -8.878 -6.575 1.00 0.00 C ATOM 225 O GLU C 15 49.358 -7.904 -7.058 1.00 0.00 O ATOM 226 CB GLU C 15 46.657 -9.989 -7.234 1.00 0.00 C ATOM 227 CG GLU C 15 45.963 -9.067 -8.240 1.00 0.00 C ATOM 228 CD GLU C 15 44.469 -8.996 -7.921 1.00 0.00 C ATOM 229 OE1 GLU C 15 44.127 -9.068 -6.753 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.691 -8.872 -8.854 1.00 0.00 O ATOM 0 H GLU C 15 47.929 -11.957 -6.784 1.00 0.00 H new ATOM 0 HA GLU C 15 48.417 -9.693 -8.492 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.290 -11.009 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.423 -9.676 -6.216 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.402 -8.070 -8.199 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.112 -9.439 -9.254 1.00 0.00 H new ATOM 237 N GLN C 16 48.762 -9.050 -5.283 1.00 0.00 N ATOM 238 CA GLN C 16 49.376 -8.039 -4.374 1.00 0.00 C ATOM 239 C GLN C 16 50.890 -7.980 -4.595 1.00 0.00 C ATOM 240 O GLN C 16 51.465 -6.921 -4.738 1.00 0.00 O ATOM 241 CB GLN C 16 49.058 -8.528 -2.960 1.00 0.00 C ATOM 242 CG GLN C 16 49.774 -7.639 -1.940 1.00 0.00 C ATOM 243 CD GLN C 16 49.299 -7.992 -0.529 1.00 0.00 C ATOM 244 OE1 GLN C 16 49.786 -8.929 0.071 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.361 -7.276 0.030 1.00 0.00 N ATOM 0 H GLN C 16 48.322 -9.844 -4.818 1.00 0.00 H new ATOM 0 HA GLN C 16 48.990 -7.036 -4.553 1.00 0.00 H new ATOM 0 HB2 GLN C 16 47.982 -8.503 -2.788 1.00 0.00 H new ATOM 0 HB3 GLN C 16 49.376 -9.564 -2.842 1.00 0.00 H new ATOM 0 HG2 GLN C 16 50.853 -7.776 -2.017 1.00 0.00 H new ATOM 0 HG3 GLN C 16 49.571 -6.589 -2.151 1.00 0.00 H new ATOM 0 HE21 GLN C 16 47.952 -6.489 -0.474 1.00 0.00 H new ATOM 0 HE22 GLN C 16 48.038 -7.504 0.970 1.00 0.00 H new ATOM 254 N LYS C 17 51.539 -9.112 -4.624 1.00 0.00 N ATOM 255 CA LYS C 17 53.015 -9.120 -4.836 1.00 0.00 C ATOM 256 C LYS C 17 53.391 -8.182 -5.986 1.00 0.00 C ATOM 257 O LYS C 17 54.474 -7.635 -6.025 1.00 0.00 O ATOM 258 CB LYS C 17 53.358 -10.568 -5.190 1.00 0.00 C ATOM 259 CG LYS C 17 53.865 -11.293 -3.941 1.00 0.00 C ATOM 260 CD LYS C 17 53.617 -12.796 -4.086 1.00 0.00 C ATOM 261 CE LYS C 17 54.753 -13.569 -3.411 1.00 0.00 C ATOM 262 NZ LYS C 17 55.794 -13.719 -4.464 1.00 0.00 N ATOM 0 H LYS C 17 51.112 -10.031 -4.510 1.00 0.00 H new ATOM 0 HA LYS C 17 53.559 -8.776 -3.956 1.00 0.00 H new ATOM 0 HB2 LYS C 17 52.478 -11.075 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS C 17 54.118 -10.592 -5.971 1.00 0.00 H new ATOM 0 HG2 LYS C 17 54.929 -11.101 -3.803 1.00 0.00 H new ATOM 0 HG3 LYS C 17 53.355 -10.913 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS C 17 52.662 -13.063 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS C 17 53.556 -13.065 -5.140 1.00 0.00 H new ATOM 0 HE2 LYS C 17 55.140 -13.028 -2.547 1.00 0.00 H new ATOM 0 HE3 LYS C 17 54.411 -14.540 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 56.607 -14.240 -4.077 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 55.399 -14.243 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 56.105 -12.779 -4.781 1.00 0.00 H new ATOM 276 N ASN C 18 52.502 -7.992 -6.925 1.00 0.00 N ATOM 277 CA ASN C 18 52.812 -7.088 -8.069 1.00 0.00 C ATOM 278 C ASN C 18 52.788 -5.628 -7.608 1.00 0.00 C ATOM 279 O ASN C 18 53.502 -4.792 -8.125 1.00 0.00 O ATOM 280 CB ASN C 18 51.704 -7.345 -9.093 1.00 0.00 C ATOM 281 CG ASN C 18 51.795 -8.787 -9.595 1.00 0.00 C ATOM 282 OD1 ASN C 18 52.875 -9.310 -9.783 1.00 0.00 O ATOM 283 ND2 ASN C 18 50.698 -9.455 -9.822 1.00 0.00 N ATOM 0 H ASN C 18 51.578 -8.423 -6.949 1.00 0.00 H new ATOM 0 HA ASN C 18 53.802 -7.275 -8.486 1.00 0.00 H new ATOM 0 HB2 ASN C 18 50.728 -7.167 -8.641 1.00 0.00 H new ATOM 0 HB3 ASN C 18 51.799 -6.652 -9.929 1.00 0.00 H new ATOM 0 HD21 ASN C 18 50.747 -10.417 -10.158 1.00 0.00 H new ATOM 0 HD22 ASN C 18 49.791 -9.015 -9.664 1.00 0.00 H new ATOM 290 N GLU C 19 51.973 -5.317 -6.639 1.00 0.00 N ATOM 291 CA GLU C 19 51.906 -3.913 -6.145 1.00 0.00 C ATOM 292 C GLU C 19 53.170 -3.573 -5.350 1.00 0.00 C ATOM 293 O GLU C 19 53.624 -2.447 -5.340 1.00 0.00 O ATOM 294 CB GLU C 19 50.676 -3.870 -5.238 1.00 0.00 C ATOM 295 CG GLU C 19 49.434 -3.569 -6.078 1.00 0.00 C ATOM 296 CD GLU C 19 48.179 -3.903 -5.269 1.00 0.00 C ATOM 297 OE1 GLU C 19 48.024 -5.054 -4.899 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.394 -2.999 -5.033 1.00 0.00 O ATOM 0 H GLU C 19 51.351 -5.974 -6.168 1.00 0.00 H new ATOM 0 HA GLU C 19 51.837 -3.191 -6.959 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.557 -4.823 -4.723 1.00 0.00 H new ATOM 0 HB3 GLU C 19 50.803 -3.106 -4.471 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.424 -2.518 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.453 -4.154 -6.998 1.00 0.00 H new ATOM 305 N PHE C 20 53.741 -4.540 -4.684 1.00 0.00 N ATOM 306 CA PHE C 20 54.975 -4.269 -3.892 1.00 0.00 C ATOM 307 C PHE C 20 56.191 -4.186 -4.817 1.00 0.00 C ATOM 308 O PHE C 20 57.025 -3.312 -4.681 1.00 0.00 O ATOM 309 CB PHE C 20 55.105 -5.460 -2.942 1.00 0.00 C ATOM 310 CG PHE C 20 54.138 -5.297 -1.794 1.00 0.00 C ATOM 311 CD1 PHE C 20 52.762 -5.430 -2.013 1.00 0.00 C ATOM 312 CD2 PHE C 20 54.618 -5.014 -0.510 1.00 0.00 C ATOM 313 CE1 PHE C 20 51.865 -5.280 -0.947 1.00 0.00 C ATOM 314 CE2 PHE C 20 53.722 -4.864 0.555 1.00 0.00 C ATOM 315 CZ PHE C 20 52.346 -4.997 0.336 1.00 0.00 C ATOM 0 H PHE C 20 53.407 -5.503 -4.654 1.00 0.00 H new ATOM 0 HA PHE C 20 54.920 -3.322 -3.355 1.00 0.00 H new ATOM 0 HB2 PHE C 20 54.900 -6.388 -3.475 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.125 -5.528 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE C 20 52.392 -5.648 -3.004 1.00 0.00 H new ATOM 0 HD2 PHE C 20 55.680 -4.911 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE C 20 50.803 -5.383 -1.116 1.00 0.00 H new ATOM 0 HE2 PHE C 20 54.092 -4.646 1.546 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.655 -4.881 1.158 1.00 0.00 H new ATOM 325 N LYS C 21 56.304 -5.089 -5.754 1.00 0.00 N ATOM 326 CA LYS C 21 57.471 -5.055 -6.679 1.00 0.00 C ATOM 327 C LYS C 21 57.607 -3.660 -7.299 1.00 0.00 C ATOM 328 O LYS C 21 58.679 -3.246 -7.693 1.00 0.00 O ATOM 329 CB LYS C 21 57.166 -6.110 -7.751 1.00 0.00 C ATOM 330 CG LYS C 21 56.230 -5.529 -8.815 1.00 0.00 C ATOM 331 CD LYS C 21 57.060 -4.873 -9.920 1.00 0.00 C ATOM 332 CE LYS C 21 56.917 -5.680 -11.213 1.00 0.00 C ATOM 333 NZ LYS C 21 56.240 -4.758 -12.167 1.00 0.00 N ATOM 0 H LYS C 21 55.640 -5.846 -5.918 1.00 0.00 H new ATOM 0 HA LYS C 21 58.412 -5.266 -6.171 1.00 0.00 H new ATOM 0 HB2 LYS C 21 58.093 -6.445 -8.216 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.706 -6.984 -7.290 1.00 0.00 H new ATOM 0 HG2 LYS C 21 55.605 -6.317 -9.234 1.00 0.00 H new ATOM 0 HG3 LYS C 21 55.560 -4.796 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS C 21 56.727 -3.848 -10.080 1.00 0.00 H new ATOM 0 HD3 LYS C 21 58.108 -4.825 -9.623 1.00 0.00 H new ATOM 0 HE2 LYS C 21 57.889 -5.996 -11.591 1.00 0.00 H new ATOM 0 HE3 LYS C 21 56.329 -6.583 -11.052 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 56.106 -5.239 -13.079 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 55.314 -4.480 -11.783 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 56.826 -3.910 -12.306 1.00 0.00 H new ATOM 347 N ALA C 22 56.525 -2.935 -7.384 1.00 0.00 N ATOM 348 CA ALA C 22 56.590 -1.568 -7.973 1.00 0.00 C ATOM 349 C ALA C 22 57.398 -0.644 -7.060 1.00 0.00 C ATOM 350 O ALA C 22 58.435 -0.134 -7.435 1.00 0.00 O ATOM 351 CB ALA C 22 55.136 -1.105 -8.058 1.00 0.00 C ATOM 0 H ALA C 22 55.600 -3.230 -7.071 1.00 0.00 H new ATOM 0 HA ALA C 22 57.076 -1.557 -8.948 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.098 -0.102 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.573 -1.790 -8.692 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.699 -1.092 -7.059 1.00 0.00 H new ATOM 357 N ALA C 23 56.935 -0.429 -5.858 1.00 0.00 N ATOM 358 CA ALA C 23 57.684 0.456 -4.922 1.00 0.00 C ATOM 359 C ALA C 23 59.143 0.004 -4.837 1.00 0.00 C ATOM 360 O ALA C 23 60.044 0.804 -4.674 1.00 0.00 O ATOM 361 CB ALA C 23 56.989 0.286 -3.571 1.00 0.00 C ATOM 0 H ALA C 23 56.073 -0.827 -5.485 1.00 0.00 H new ATOM 0 HA ALA C 23 57.688 1.497 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.485 0.908 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA C 23 55.945 0.587 -3.659 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.041 -0.759 -3.264 1.00 0.00 H new ATOM 367 N PHE C 24 59.384 -1.274 -4.953 1.00 0.00 N ATOM 368 CA PHE C 24 60.785 -1.778 -4.885 1.00 0.00 C ATOM 369 C PHE C 24 61.569 -1.309 -6.111 1.00 0.00 C ATOM 370 O PHE C 24 62.695 -0.864 -6.008 1.00 0.00 O ATOM 371 CB PHE C 24 60.660 -3.302 -4.882 1.00 0.00 C ATOM 372 CG PHE C 24 62.037 -3.918 -4.913 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.971 -3.593 -3.923 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.381 -4.814 -5.934 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.250 -4.162 -3.952 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.660 -5.383 -5.963 1.00 0.00 C ATOM 377 CZ PHE C 24 64.594 -5.059 -4.971 1.00 0.00 C ATOM 0 H PHE C 24 58.671 -1.990 -5.092 1.00 0.00 H new ATOM 0 HA PHE C 24 61.315 -1.412 -4.005 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.122 -3.632 -3.993 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.082 -3.632 -5.745 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.705 -2.903 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE C 24 61.660 -5.065 -6.698 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.971 -3.909 -3.189 1.00 0.00 H new ATOM 0 HE2 PHE C 24 63.926 -6.072 -6.751 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.579 -5.501 -4.992 1.00 0.00 H new ATOM 387 N ASP C 25 60.981 -1.403 -7.271 1.00 0.00 N ATOM 388 CA ASP C 25 61.689 -0.962 -8.506 1.00 0.00 C ATOM 389 C ASP C 25 61.995 0.537 -8.432 1.00 0.00 C ATOM 390 O ASP C 25 62.947 1.016 -9.015 1.00 0.00 O ATOM 391 CB ASP C 25 60.714 -1.259 -9.646 1.00 0.00 C ATOM 392 CG ASP C 25 60.663 -2.768 -9.896 1.00 0.00 C ATOM 393 OD1 ASP C 25 60.959 -3.510 -8.975 1.00 0.00 O ATOM 394 OD2 ASP C 25 60.328 -3.153 -11.004 1.00 0.00 O ATOM 0 H ASP C 25 60.039 -1.767 -7.418 1.00 0.00 H new ATOM 0 HA ASP C 25 62.642 -1.472 -8.643 1.00 0.00 H new ATOM 0 HB2 ASP C 25 59.720 -0.888 -9.395 1.00 0.00 H new ATOM 0 HB3 ASP C 25 61.028 -0.740 -10.552 1.00 0.00 H new ATOM 399 N ILE C 26 61.193 1.283 -7.720 1.00 0.00 N ATOM 400 CA ILE C 26 61.440 2.750 -7.609 1.00 0.00 C ATOM 401 C ILE C 26 62.377 3.045 -6.434 1.00 0.00 C ATOM 402 O ILE C 26 63.176 3.959 -6.481 1.00 0.00 O ATOM 403 CB ILE C 26 60.062 3.364 -7.361 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.271 3.377 -8.670 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.224 4.797 -6.852 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.367 2.146 -8.729 1.00 0.00 C ATOM 0 H ILE C 26 60.378 0.940 -7.211 1.00 0.00 H new ATOM 0 HA ILE C 26 61.915 3.156 -8.502 1.00 0.00 H new ATOM 0 HB ILE C 26 59.529 2.773 -6.616 1.00 0.00 H new ATOM 0 HG12 ILE C 26 58.672 4.285 -8.737 1.00 0.00 H new ATOM 0 HG13 ILE C 26 59.953 3.382 -9.520 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.241 5.234 -6.676 1.00 0.00 H new ATOM 0 HG22 ILE C 26 60.791 4.791 -5.921 1.00 0.00 H new ATOM 0 HG23 ILE C 26 60.756 5.390 -7.596 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.802 2.154 -9.661 1.00 0.00 H new ATOM 0 HD12 ILE C 26 58.977 1.244 -8.682 1.00 0.00 H new ATOM 0 HD13 ILE C 26 57.676 2.161 -7.886 1.00 0.00 H new ATOM 418 N PHE C 27 62.283 2.282 -5.380 1.00 0.00 N ATOM 419 CA PHE C 27 63.166 2.524 -4.202 1.00 0.00 C ATOM 420 C PHE C 27 64.623 2.211 -4.554 1.00 0.00 C ATOM 421 O PHE C 27 65.539 2.809 -4.027 1.00 0.00 O ATOM 422 CB PHE C 27 62.657 1.571 -3.122 1.00 0.00 C ATOM 423 CG PHE C 27 61.555 2.245 -2.340 1.00 0.00 C ATOM 424 CD1 PHE C 27 60.708 3.162 -2.974 1.00 0.00 C ATOM 425 CD2 PHE C 27 61.381 1.954 -0.982 1.00 0.00 C ATOM 426 CE1 PHE C 27 59.687 3.788 -2.249 1.00 0.00 C ATOM 427 CE2 PHE C 27 60.359 2.581 -0.257 1.00 0.00 C ATOM 428 CZ PHE C 27 59.513 3.498 -0.890 1.00 0.00 C ATOM 0 H PHE C 27 61.634 1.502 -5.283 1.00 0.00 H new ATOM 0 HA PHE C 27 63.138 3.563 -3.874 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.286 0.652 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.472 1.290 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE C 27 60.842 3.386 -4.022 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.034 1.246 -0.493 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.033 4.495 -2.738 1.00 0.00 H new ATOM 0 HE2 PHE C 27 60.224 2.356 0.791 1.00 0.00 H new ATOM 0 HZ PHE C 27 58.726 3.982 -0.331 1.00 0.00 H new ATOM 438 N VAL C 28 64.846 1.281 -5.442 1.00 0.00 N ATOM 439 CA VAL C 28 66.247 0.938 -5.823 1.00 0.00 C ATOM 440 C VAL C 28 66.606 1.603 -7.154 1.00 0.00 C ATOM 441 O VAL C 28 67.628 1.317 -7.747 1.00 0.00 O ATOM 442 CB VAL C 28 66.262 -0.584 -5.964 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.730 -1.222 -4.679 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.374 -0.996 -7.142 1.00 0.00 C ATOM 0 H VAL C 28 64.121 0.745 -5.919 1.00 0.00 H new ATOM 0 HA VAL C 28 66.972 1.284 -5.086 1.00 0.00 H new ATOM 0 HB VAL C 28 67.283 -0.921 -6.142 1.00 0.00 H new ATOM 0 HG11 VAL C 28 65.741 -2.307 -4.780 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.361 -0.929 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL C 28 64.709 -0.884 -4.501 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.384 -2.081 -7.243 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.353 -0.658 -6.964 1.00 0.00 H new ATOM 0 HG23 VAL C 28 65.752 -0.543 -8.058 1.00 0.00 H new ATOM 454 N LEU C 29 65.773 2.488 -7.626 1.00 0.00 N ATOM 455 CA LEU C 29 66.062 3.174 -8.920 1.00 0.00 C ATOM 456 C LEU C 29 67.509 3.673 -8.945 1.00 0.00 C ATOM 457 O LEU C 29 67.834 4.691 -8.365 1.00 0.00 O ATOM 458 CB LEU C 29 65.088 4.352 -8.968 1.00 0.00 C ATOM 459 CG LEU C 29 64.516 4.485 -10.379 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.624 5.726 -10.454 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.663 4.623 -11.382 1.00 0.00 C ATOM 0 H LEU C 29 64.903 2.767 -7.172 1.00 0.00 H new ATOM 0 HA LEU C 29 65.942 2.509 -9.775 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.282 4.200 -8.250 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.599 5.272 -8.683 1.00 0.00 H new ATOM 0 HG LEU C 29 63.927 3.599 -10.617 1.00 0.00 H new ATOM 0 HD11 LEU C 29 63.216 5.821 -11.460 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.807 5.631 -9.739 1.00 0.00 H new ATOM 0 HD13 LEU C 29 64.213 6.612 -10.216 1.00 0.00 H new ATOM 0 HD21 LEU C 29 65.256 4.718 -12.389 1.00 0.00 H new ATOM 0 HD22 LEU C 29 66.251 5.509 -11.143 1.00 0.00 H new ATOM 0 HD23 LEU C 29 66.300 3.740 -11.330 1.00 0.00 H new ATOM 473 N GLY C 30 68.381 2.968 -9.612 1.00 0.00 N ATOM 474 CA GLY C 30 69.804 3.407 -9.673 1.00 0.00 C ATOM 475 C GLY C 30 70.655 2.519 -8.763 1.00 0.00 C ATOM 476 O GLY C 30 71.853 2.410 -8.933 1.00 0.00 O ATOM 0 H GLY C 30 68.170 2.107 -10.117 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.169 3.350 -10.698 1.00 0.00 H new ATOM 0 HA3 GLY C 30 69.887 4.449 -9.363 1.00 0.00 H new ATOM 480 N ALA C 31 70.047 1.884 -7.799 1.00 0.00 N ATOM 481 CA ALA C 31 70.824 1.004 -6.879 1.00 0.00 C ATOM 482 C ALA C 31 71.816 0.152 -7.676 1.00 0.00 C ATOM 483 O ALA C 31 71.494 -0.376 -8.722 1.00 0.00 O ATOM 484 CB ALA C 31 69.779 0.118 -6.203 1.00 0.00 C ATOM 0 H ALA C 31 69.046 1.936 -7.608 1.00 0.00 H new ATOM 0 HA ALA C 31 71.405 1.574 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.273 -0.561 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.070 0.742 -5.659 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.248 -0.460 -6.959 1.00 0.00 H new ATOM 490 N GLU C 32 73.019 0.013 -7.190 1.00 0.00 N ATOM 491 CA GLU C 32 74.028 -0.806 -7.923 1.00 0.00 C ATOM 492 C GLU C 32 73.852 -2.288 -7.582 1.00 0.00 C ATOM 493 O GLU C 32 74.399 -3.154 -8.236 1.00 0.00 O ATOM 494 CB GLU C 32 75.384 -0.298 -7.434 1.00 0.00 C ATOM 495 CG GLU C 32 75.543 -0.610 -5.945 1.00 0.00 C ATOM 496 CD GLU C 32 75.266 0.653 -5.126 1.00 0.00 C ATOM 497 OE1 GLU C 32 74.371 1.394 -5.501 1.00 0.00 O ATOM 498 OE2 GLU C 32 75.952 0.857 -4.138 1.00 0.00 O ATOM 0 H GLU C 32 73.347 0.430 -6.319 1.00 0.00 H new ATOM 0 HA GLU C 32 73.928 -0.715 -9.005 1.00 0.00 H new ATOM 0 HB2 GLU C 32 76.186 -0.769 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU C 32 75.463 0.776 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU C 32 74.855 -1.403 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU C 32 76.551 -0.973 -5.744 1.00 0.00 H new ATOM 505 N ASP C 33 73.090 -2.587 -6.566 1.00 0.00 N ATOM 506 CA ASP C 33 72.877 -4.013 -6.186 1.00 0.00 C ATOM 507 C ASP C 33 71.381 -4.299 -6.042 1.00 0.00 C ATOM 508 O ASP C 33 70.978 -5.231 -5.374 1.00 0.00 O ATOM 509 CB ASP C 33 73.589 -4.177 -4.843 1.00 0.00 C ATOM 510 CG ASP C 33 75.095 -4.313 -5.076 1.00 0.00 C ATOM 511 OD1 ASP C 33 75.471 -4.690 -6.173 1.00 0.00 O ATOM 512 OD2 ASP C 33 75.844 -4.040 -4.153 1.00 0.00 O ATOM 0 H ASP C 33 72.605 -1.905 -5.982 1.00 0.00 H new ATOM 0 HA ASP C 33 73.263 -4.704 -6.935 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.385 -3.318 -4.204 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.210 -5.057 -4.324 1.00 0.00 H new ATOM 517 N GLY C 34 70.554 -3.503 -6.663 1.00 0.00 N ATOM 518 CA GLY C 34 69.084 -3.728 -6.562 1.00 0.00 C ATOM 519 C GLY C 34 68.617 -3.420 -5.138 1.00 0.00 C ATOM 520 O GLY C 34 67.616 -3.932 -4.677 1.00 0.00 O ATOM 0 H GLY C 34 70.833 -2.707 -7.236 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.558 -3.092 -7.274 1.00 0.00 H new ATOM 0 HA3 GLY C 34 68.845 -4.760 -6.819 1.00 0.00 H new ATOM 524 N CYS C 35 69.335 -2.586 -4.436 1.00 0.00 N ATOM 525 CA CYS C 35 68.932 -2.244 -3.042 1.00 0.00 C ATOM 526 C CYS C 35 68.637 -0.746 -2.932 1.00 0.00 C ATOM 527 O CYS C 35 68.472 -0.063 -3.923 1.00 0.00 O ATOM 528 CB CYS C 35 70.137 -2.621 -2.179 1.00 0.00 C ATOM 529 SG CYS C 35 71.516 -1.508 -2.549 1.00 0.00 S ATOM 0 H CYS C 35 70.183 -2.127 -4.767 1.00 0.00 H new ATOM 0 HA CYS C 35 68.029 -2.769 -2.730 1.00 0.00 H new ATOM 0 HB2 CYS C 35 69.876 -2.555 -1.123 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.427 -3.654 -2.372 1.00 0.00 H new ATOM 0 HG CYS C 35 72.597 -1.951 -1.978 1.00 0.00 H new ATOM 535 N ILE C 36 68.567 -0.231 -1.736 1.00 0.00 N ATOM 536 CA ILE C 36 68.282 1.223 -1.568 1.00 0.00 C ATOM 537 C ILE C 36 69.384 1.888 -0.741 1.00 0.00 C ATOM 538 O ILE C 36 70.084 1.244 0.014 1.00 0.00 O ATOM 539 CB ILE C 36 66.944 1.282 -0.830 1.00 0.00 C ATOM 540 CG1 ILE C 36 65.819 0.872 -1.782 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.696 2.707 -0.332 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.799 0.018 -1.028 1.00 0.00 C ATOM 0 H ILE C 36 68.694 -0.752 -0.869 1.00 0.00 H new ATOM 0 HA ILE C 36 68.244 1.749 -2.522 1.00 0.00 H new ATOM 0 HB ILE C 36 66.969 0.600 0.020 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.335 1.758 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.226 0.312 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.742 2.748 0.194 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.497 3.000 0.347 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.672 3.390 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE C 36 63.997 -0.274 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.289 -0.875 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.383 0.593 -0.201 1.00 0.00 H new ATOM 554 N SER C 37 69.543 3.174 -0.884 1.00 0.00 N ATOM 555 CA SER C 37 70.600 3.893 -0.118 1.00 0.00 C ATOM 556 C SER C 37 70.249 5.373 -0.030 1.00 0.00 C ATOM 557 O SER C 37 71.094 6.234 -0.160 1.00 0.00 O ATOM 558 CB SER C 37 71.861 3.705 -0.938 1.00 0.00 C ATOM 559 OG SER C 37 72.905 3.225 -0.103 1.00 0.00 O ATOM 0 H SER C 37 68.983 3.762 -1.502 1.00 0.00 H new ATOM 0 HA SER C 37 70.710 3.520 0.900 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.678 3.001 -1.749 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.153 4.650 -1.396 1.00 0.00 H new ATOM 0 HG SER C 37 73.719 3.102 -0.635 1.00 0.00 H new ATOM 565 N THR C 38 68.998 5.659 0.164 1.00 0.00 N ATOM 566 CA THR C 38 68.527 7.078 0.243 1.00 0.00 C ATOM 567 C THR C 38 68.591 7.708 -1.148 1.00 0.00 C ATOM 568 O THR C 38 67.604 8.198 -1.663 1.00 0.00 O ATOM 569 CB THR C 38 69.459 7.813 1.221 1.00 0.00 C ATOM 570 OG1 THR C 38 70.569 8.351 0.514 1.00 0.00 O ATOM 571 CG2 THR C 38 69.953 6.856 2.310 1.00 0.00 C ATOM 0 H THR C 38 68.262 4.961 0.274 1.00 0.00 H new ATOM 0 HA THR C 38 67.497 7.140 0.593 1.00 0.00 H new ATOM 0 HB THR C 38 68.903 8.623 1.693 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.250 7.656 0.397 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.611 7.392 2.994 1.00 0.00 H new ATOM 0 HG22 THR C 38 69.100 6.461 2.862 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.500 6.033 1.850 1.00 0.00 H new ATOM 579 N LYS C 39 69.736 7.684 -1.776 1.00 0.00 N ATOM 580 CA LYS C 39 69.837 8.264 -3.142 1.00 0.00 C ATOM 581 C LYS C 39 68.707 7.701 -4.006 1.00 0.00 C ATOM 582 O LYS C 39 68.136 8.388 -4.828 1.00 0.00 O ATOM 583 CB LYS C 39 71.200 7.812 -3.669 1.00 0.00 C ATOM 584 CG LYS C 39 71.863 8.963 -4.428 1.00 0.00 C ATOM 585 CD LYS C 39 73.302 8.581 -4.782 1.00 0.00 C ATOM 586 CE LYS C 39 73.998 9.771 -5.444 1.00 0.00 C ATOM 587 NZ LYS C 39 75.377 9.292 -5.740 1.00 0.00 N ATOM 0 H LYS C 39 70.600 7.290 -1.403 1.00 0.00 H new ATOM 0 HA LYS C 39 69.750 9.350 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.835 7.495 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.080 6.951 -4.326 1.00 0.00 H new ATOM 0 HG2 LYS C 39 71.301 9.185 -5.335 1.00 0.00 H new ATOM 0 HG3 LYS C 39 71.855 9.867 -3.818 1.00 0.00 H new ATOM 0 HD2 LYS C 39 73.842 8.284 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.307 7.723 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS C 39 73.481 10.075 -6.354 1.00 0.00 H new ATOM 0 HE3 LYS C 39 74.014 10.637 -4.783 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 75.919 10.054 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 75.846 9.016 -4.854 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 75.330 8.471 -6.377 1.00 0.00 H new ATOM 601 N GLU C 40 68.370 6.454 -3.807 1.00 0.00 N ATOM 602 CA GLU C 40 67.263 5.842 -4.595 1.00 0.00 C ATOM 603 C GLU C 40 65.932 6.129 -3.899 1.00 0.00 C ATOM 604 O GLU C 40 64.905 6.285 -4.530 1.00 0.00 O ATOM 605 CB GLU C 40 67.544 4.335 -4.592 1.00 0.00 C ATOM 606 CG GLU C 40 68.986 4.069 -5.026 1.00 0.00 C ATOM 607 CD GLU C 40 69.881 3.945 -3.791 1.00 0.00 C ATOM 608 OE1 GLU C 40 70.223 4.970 -3.225 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.209 2.825 -3.432 1.00 0.00 O ATOM 0 H GLU C 40 68.815 5.833 -3.131 1.00 0.00 H new ATOM 0 HA GLU C 40 67.206 6.238 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.375 3.928 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU C 40 66.854 3.827 -5.265 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.036 3.154 -5.616 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.340 4.879 -5.664 1.00 0.00 H new ATOM 616 N LEU C 41 65.950 6.192 -2.595 1.00 0.00 N ATOM 617 CA LEU C 41 64.698 6.462 -1.831 1.00 0.00 C ATOM 618 C LEU C 41 64.416 7.970 -1.781 1.00 0.00 C ATOM 619 O LEU C 41 63.432 8.445 -2.312 1.00 0.00 O ATOM 620 CB LEU C 41 64.982 5.916 -0.429 1.00 0.00 C ATOM 621 CG LEU C 41 63.667 5.658 0.309 1.00 0.00 C ATOM 622 CD1 LEU C 41 62.799 6.913 0.256 1.00 0.00 C ATOM 623 CD2 LEU C 41 62.924 4.492 -0.349 1.00 0.00 C ATOM 0 H LEU C 41 66.785 6.067 -2.022 1.00 0.00 H new ATOM 0 HA LEU C 41 63.822 5.999 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.556 4.992 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.589 6.627 0.131 1.00 0.00 H new ATOM 0 HG LEU C 41 63.880 5.407 1.348 1.00 0.00 H new ATOM 0 HD11 LEU C 41 61.862 6.730 0.782 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.326 7.740 0.731 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.589 7.166 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU C 41 61.988 4.312 0.180 1.00 0.00 H new ATOM 0 HD22 LEU C 41 62.711 4.737 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU C 41 63.543 3.596 -0.307 1.00 0.00 H new ATOM 635 N GLY C 42 65.270 8.721 -1.141 1.00 0.00 N ATOM 636 CA GLY C 42 65.049 10.195 -1.048 1.00 0.00 C ATOM 637 C GLY C 42 64.696 10.762 -2.426 1.00 0.00 C ATOM 638 O GLY C 42 64.012 11.760 -2.537 1.00 0.00 O ATOM 0 H GLY C 42 66.112 8.379 -0.678 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.245 10.406 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.946 10.682 -0.665 1.00 0.00 H new ATOM 642 N LYS C 43 65.155 10.138 -3.475 1.00 0.00 N ATOM 643 CA LYS C 43 64.842 10.645 -4.839 1.00 0.00 C ATOM 644 C LYS C 43 63.324 10.658 -5.048 1.00 0.00 C ATOM 645 O LYS C 43 62.789 11.496 -5.746 1.00 0.00 O ATOM 646 CB LYS C 43 65.551 9.658 -5.784 1.00 0.00 C ATOM 647 CG LYS C 43 64.664 9.319 -6.986 1.00 0.00 C ATOM 648 CD LYS C 43 65.388 8.326 -7.896 1.00 0.00 C ATOM 649 CE LYS C 43 66.500 9.048 -8.661 1.00 0.00 C ATOM 650 NZ LYS C 43 65.846 10.251 -9.248 1.00 0.00 N ATOM 0 H LYS C 43 65.734 9.298 -3.446 1.00 0.00 H new ATOM 0 HA LYS C 43 65.178 11.667 -5.013 1.00 0.00 H new ATOM 0 HB2 LYS C 43 66.490 10.090 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS C 43 65.801 8.746 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS C 43 63.720 8.894 -6.645 1.00 0.00 H new ATOM 0 HG3 LYS C 43 64.423 10.226 -7.540 1.00 0.00 H new ATOM 0 HD2 LYS C 43 65.809 7.514 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS C 43 64.683 7.878 -8.596 1.00 0.00 H new ATOM 0 HE2 LYS C 43 67.318 9.328 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS C 43 66.923 8.410 -9.437 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 66.343 10.526 -10.119 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 64.853 10.033 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 65.885 11.035 -8.566 1.00 0.00 H new ATOM 664 N VAL C 44 62.627 9.737 -4.444 1.00 0.00 N ATOM 665 CA VAL C 44 61.149 9.703 -4.606 1.00 0.00 C ATOM 666 C VAL C 44 60.491 10.641 -3.588 1.00 0.00 C ATOM 667 O VAL C 44 59.437 11.192 -3.834 1.00 0.00 O ATOM 668 CB VAL C 44 60.756 8.249 -4.343 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.267 8.173 -4.019 1.00 0.00 C ATOM 670 CG2 VAL C 44 61.043 7.407 -5.589 1.00 0.00 C ATOM 0 H VAL C 44 63.017 9.008 -3.846 1.00 0.00 H new ATOM 0 HA VAL C 44 60.828 10.033 -5.594 1.00 0.00 H new ATOM 0 HB VAL C 44 61.334 7.867 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.988 7.136 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL C 44 59.057 8.771 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.691 8.557 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.763 6.371 -5.400 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.465 7.792 -6.429 1.00 0.00 H new ATOM 0 HG23 VAL C 44 62.106 7.458 -5.826 1.00 0.00 H new ATOM 680 N MET C 45 61.104 10.824 -2.448 1.00 0.00 N ATOM 681 CA MET C 45 60.510 11.727 -1.419 1.00 0.00 C ATOM 682 C MET C 45 59.962 12.989 -2.083 1.00 0.00 C ATOM 683 O MET C 45 58.772 13.233 -2.085 1.00 0.00 O ATOM 684 CB MET C 45 61.665 12.074 -0.480 1.00 0.00 C ATOM 685 CG MET C 45 61.545 11.244 0.798 1.00 0.00 C ATOM 686 SD MET C 45 61.344 9.498 0.367 1.00 0.00 S ATOM 687 CE MET C 45 59.551 9.408 0.589 1.00 0.00 C ATOM 0 H MET C 45 61.988 10.388 -2.186 1.00 0.00 H new ATOM 0 HA MET C 45 59.681 11.260 -0.887 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.619 11.874 -0.969 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.647 13.137 -0.240 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.433 11.377 1.416 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.693 11.585 1.387 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.259 8.375 0.776 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.258 10.027 1.437 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.054 9.768 -0.312 1.00 0.00 H new ATOM 697 N ARG C 46 60.818 13.786 -2.658 1.00 0.00 N ATOM 698 CA ARG C 46 60.335 15.022 -3.329 1.00 0.00 C ATOM 699 C ARG C 46 59.171 14.673 -4.258 1.00 0.00 C ATOM 700 O ARG C 46 58.268 15.460 -4.464 1.00 0.00 O ATOM 701 CB ARG C 46 61.531 15.536 -4.132 1.00 0.00 C ATOM 702 CG ARG C 46 62.405 16.421 -3.241 1.00 0.00 C ATOM 703 CD ARG C 46 63.797 16.555 -3.864 1.00 0.00 C ATOM 704 NE ARG C 46 64.673 15.676 -3.041 1.00 0.00 N ATOM 705 CZ ARG C 46 65.920 16.004 -2.834 1.00 0.00 C ATOM 706 NH1 ARG C 46 66.474 16.946 -3.547 1.00 0.00 N ATOM 707 NH2 ARG C 46 66.612 15.387 -1.915 1.00 0.00 N ATOM 0 H ARG C 46 61.826 13.635 -2.692 1.00 0.00 H new ATOM 0 HA ARG C 46 59.977 15.771 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.114 14.697 -4.513 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.185 16.102 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG C 46 61.949 17.405 -3.128 1.00 0.00 H new ATOM 0 HG3 ARG C 46 62.481 15.989 -2.243 1.00 0.00 H new ATOM 0 HD2 ARG C 46 63.794 16.243 -4.908 1.00 0.00 H new ATOM 0 HD3 ARG C 46 64.142 17.589 -3.841 1.00 0.00 H new ATOM 0 HE ARG C 46 64.299 14.817 -2.638 1.00 0.00 H new ATOM 0 HH11 ARG C 46 65.933 17.426 -4.266 1.00 0.00 H new ATOM 0 HH12 ARG C 46 67.448 17.202 -3.385 1.00 0.00 H new ATOM 0 HH21 ARG C 46 66.179 14.649 -1.359 1.00 0.00 H new ATOM 0 HH22 ARG C 46 67.586 15.642 -1.753 1.00 0.00 H new ATOM 721 N MET C 47 59.186 13.492 -4.814 1.00 0.00 N ATOM 722 CA MET C 47 58.080 13.083 -5.727 1.00 0.00 C ATOM 723 C MET C 47 56.830 12.730 -4.914 1.00 0.00 C ATOM 724 O MET C 47 55.720 13.027 -5.309 1.00 0.00 O ATOM 725 CB MET C 47 58.607 11.850 -6.462 1.00 0.00 C ATOM 726 CG MET C 47 58.820 12.189 -7.938 1.00 0.00 C ATOM 727 SD MET C 47 57.375 11.663 -8.890 1.00 0.00 S ATOM 728 CE MET C 47 57.547 9.885 -8.595 1.00 0.00 C ATOM 0 H MET C 47 59.916 12.793 -4.676 1.00 0.00 H new ATOM 0 HA MET C 47 57.798 13.878 -6.417 1.00 0.00 H new ATOM 0 HB2 MET C 47 59.545 11.520 -6.015 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.900 11.026 -6.365 1.00 0.00 H new ATOM 0 HG2 MET C 47 58.977 13.261 -8.057 1.00 0.00 H new ATOM 0 HG3 MET C 47 59.716 11.692 -8.311 1.00 0.00 H new ATOM 0 HE1 MET C 47 57.263 9.338 -9.494 1.00 0.00 H new ATOM 0 HE2 MET C 47 58.583 9.656 -8.343 1.00 0.00 H new ATOM 0 HE3 MET C 47 56.899 9.589 -7.770 1.00 0.00 H new ATOM 738 N LEU C 48 56.999 12.105 -3.780 1.00 0.00 N ATOM 739 CA LEU C 48 55.815 11.746 -2.946 1.00 0.00 C ATOM 740 C LEU C 48 55.252 13.002 -2.278 1.00 0.00 C ATOM 741 O LEU C 48 54.066 13.114 -2.039 1.00 0.00 O ATOM 742 CB LEU C 48 56.342 10.775 -1.887 1.00 0.00 C ATOM 743 CG LEU C 48 56.675 9.428 -2.531 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.930 8.393 -1.434 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.502 8.963 -3.400 1.00 0.00 C ATOM 0 H LEU C 48 57.902 11.828 -3.396 1.00 0.00 H new ATOM 0 HA LEU C 48 55.015 11.302 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.231 11.190 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU C 48 55.596 10.638 -1.104 1.00 0.00 H new ATOM 0 HG LEU C 48 57.564 9.536 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.168 7.431 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.766 8.718 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.038 8.291 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.745 8.003 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.611 8.856 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU C 48 55.314 9.699 -4.182 1.00 0.00 H new ATOM 757 N GLY C 49 56.098 13.948 -1.974 1.00 0.00 N ATOM 758 CA GLY C 49 55.620 15.199 -1.320 1.00 0.00 C ATOM 759 C GLY C 49 56.320 15.371 0.030 1.00 0.00 C ATOM 760 O GLY C 49 55.730 15.821 0.992 1.00 0.00 O ATOM 0 H GLY C 49 57.102 13.908 -2.151 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.825 16.057 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.540 15.158 -1.179 1.00 0.00 H new ATOM 764 N GLN C 50 57.574 15.018 0.110 1.00 0.00 N ATOM 765 CA GLN C 50 58.305 15.163 1.403 1.00 0.00 C ATOM 766 C GLN C 50 59.797 15.402 1.152 1.00 0.00 C ATOM 767 O GLN C 50 60.384 14.835 0.253 1.00 0.00 O ATOM 768 CB GLN C 50 58.092 13.835 2.130 1.00 0.00 C ATOM 769 CG GLN C 50 58.301 14.038 3.631 1.00 0.00 C ATOM 770 CD GLN C 50 56.949 13.994 4.346 1.00 0.00 C ATOM 771 OE1 GLN C 50 56.097 13.196 4.010 1.00 0.00 O ATOM 772 NE2 GLN C 50 56.715 14.826 5.324 1.00 0.00 N ATOM 0 H GLN C 50 58.123 14.637 -0.660 1.00 0.00 H new ATOM 0 HA GLN C 50 57.944 16.011 1.984 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.086 13.461 1.939 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.788 13.086 1.753 1.00 0.00 H new ATOM 0 HG2 GLN C 50 58.958 13.263 4.025 1.00 0.00 H new ATOM 0 HG3 GLN C 50 58.790 14.995 3.815 1.00 0.00 H new ATOM 0 HE21 GLN C 50 57.431 15.496 5.606 1.00 0.00 H new ATOM 0 HE22 GLN C 50 55.817 14.806 5.806 1.00 0.00 H new ATOM 781 N ASN C 51 60.413 16.236 1.945 1.00 0.00 N ATOM 782 CA ASN C 51 61.867 16.510 1.759 1.00 0.00 C ATOM 783 C ASN C 51 62.600 16.391 3.099 1.00 0.00 C ATOM 784 O ASN C 51 62.918 17.383 3.723 1.00 0.00 O ATOM 785 CB ASN C 51 61.939 17.945 1.235 1.00 0.00 C ATOM 786 CG ASN C 51 63.394 18.307 0.934 1.00 0.00 C ATOM 787 OD1 ASN C 51 64.089 17.570 0.262 1.00 0.00 O ATOM 788 ND2 ASN C 51 63.889 19.418 1.407 1.00 0.00 N ATOM 0 H ASN C 51 59.972 16.740 2.714 1.00 0.00 H new ATOM 0 HA ASN C 51 62.336 15.804 1.074 1.00 0.00 H new ATOM 0 HB2 ASN C 51 61.335 18.045 0.333 1.00 0.00 H new ATOM 0 HB3 ASN C 51 61.527 18.634 1.973 1.00 0.00 H new ATOM 0 HD21 ASN C 51 64.859 19.668 1.213 1.00 0.00 H new ATOM 0 HD22 ASN C 51 63.306 20.037 1.971 1.00 0.00 H new ATOM 795 N PRO C 52 62.840 15.171 3.494 1.00 0.00 N ATOM 796 CA PRO C 52 63.539 14.907 4.775 1.00 0.00 C ATOM 797 C PRO C 52 65.037 15.189 4.637 1.00 0.00 C ATOM 798 O PRO C 52 65.542 15.399 3.552 1.00 0.00 O ATOM 799 CB PRO C 52 63.288 13.422 5.019 1.00 0.00 C ATOM 800 CG PRO C 52 63.044 12.837 3.663 1.00 0.00 C ATOM 801 CD PRO C 52 62.485 13.934 2.791 1.00 0.00 C ATOM 0 HA PRO C 52 63.186 15.536 5.592 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.145 12.952 5.502 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.430 13.270 5.674 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.970 12.446 3.241 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.345 12.003 3.725 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.917 13.907 1.791 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.405 13.838 2.674 1.00 0.00 H new ATOM 809 N THR C 53 65.751 15.191 5.729 1.00 0.00 N ATOM 810 CA THR C 53 67.217 15.454 5.660 1.00 0.00 C ATOM 811 C THR C 53 67.956 14.183 5.236 1.00 0.00 C ATOM 812 O THR C 53 67.414 13.097 5.309 1.00 0.00 O ATOM 813 CB THR C 53 67.614 15.857 7.081 1.00 0.00 C ATOM 814 OG1 THR C 53 66.987 14.984 8.010 1.00 0.00 O ATOM 815 CG2 THR C 53 67.169 17.296 7.349 1.00 0.00 C ATOM 0 H THR C 53 65.383 15.022 6.665 1.00 0.00 H new ATOM 0 HA THR C 53 67.467 16.227 4.934 1.00 0.00 H new ATOM 0 HB THR C 53 68.696 15.789 7.190 1.00 0.00 H new ATOM 0 HG1 THR C 53 67.361 15.133 8.903 1.00 0.00 H new ATOM 0 HG21 THR C 53 67.453 17.582 8.362 1.00 0.00 H new ATOM 0 HG22 THR C 53 67.650 17.965 6.635 1.00 0.00 H new ATOM 0 HG23 THR C 53 66.087 17.368 7.241 1.00 0.00 H new ATOM 823 N PRO C 54 69.173 14.362 4.805 1.00 0.00 N ATOM 824 CA PRO C 54 70.000 13.212 4.361 1.00 0.00 C ATOM 825 C PRO C 54 70.438 12.376 5.567 1.00 0.00 C ATOM 826 O PRO C 54 70.575 11.171 5.484 1.00 0.00 O ATOM 827 CB PRO C 54 71.201 13.873 3.691 1.00 0.00 C ATOM 828 CG PRO C 54 71.292 15.228 4.316 1.00 0.00 C ATOM 829 CD PRO C 54 69.890 15.636 4.691 1.00 0.00 C ATOM 0 HA PRO C 54 69.469 12.531 3.695 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.112 13.299 3.858 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.062 13.944 2.612 1.00 0.00 H new ATOM 0 HG2 PRO C 54 71.935 15.204 5.196 1.00 0.00 H new ATOM 0 HG3 PRO C 54 71.729 15.945 3.621 1.00 0.00 H new ATOM 0 HD2 PRO C 54 69.872 16.190 5.629 1.00 0.00 H new ATOM 0 HD3 PRO C 54 69.444 16.279 3.932 1.00 0.00 H new ATOM 837 N GLU C 55 70.655 13.007 6.689 1.00 0.00 N ATOM 838 CA GLU C 55 71.082 12.249 7.900 1.00 0.00 C ATOM 839 C GLU C 55 69.906 11.442 8.458 1.00 0.00 C ATOM 840 O GLU C 55 70.088 10.435 9.112 1.00 0.00 O ATOM 841 CB GLU C 55 71.524 13.320 8.899 1.00 0.00 C ATOM 842 CG GLU C 55 70.344 14.237 9.227 1.00 0.00 C ATOM 843 CD GLU C 55 70.686 15.095 10.447 1.00 0.00 C ATOM 844 OE1 GLU C 55 71.168 14.540 11.420 1.00 0.00 O ATOM 845 OE2 GLU C 55 70.460 16.293 10.386 1.00 0.00 O ATOM 0 H GLU C 55 70.555 14.014 6.820 1.00 0.00 H new ATOM 0 HA GLU C 55 71.880 11.538 7.686 1.00 0.00 H new ATOM 0 HB2 GLU C 55 71.896 12.850 9.810 1.00 0.00 H new ATOM 0 HB3 GLU C 55 72.345 13.903 8.482 1.00 0.00 H new ATOM 0 HG2 GLU C 55 70.118 14.875 8.373 1.00 0.00 H new ATOM 0 HG3 GLU C 55 69.452 13.642 9.426 1.00 0.00 H new ATOM 852 N GLU C 56 68.703 11.878 8.204 1.00 0.00 N ATOM 853 CA GLU C 56 67.515 11.135 8.720 1.00 0.00 C ATOM 854 C GLU C 56 67.051 10.098 7.693 1.00 0.00 C ATOM 855 O GLU C 56 66.629 9.013 8.040 1.00 0.00 O ATOM 856 CB GLU C 56 66.442 12.204 8.928 1.00 0.00 C ATOM 857 CG GLU C 56 65.345 11.654 9.841 1.00 0.00 C ATOM 858 CD GLU C 56 64.605 12.815 10.509 1.00 0.00 C ATOM 859 OE1 GLU C 56 63.996 13.593 9.794 1.00 0.00 O ATOM 860 OE2 GLU C 56 64.663 12.907 11.724 1.00 0.00 O ATOM 0 H GLU C 56 68.490 12.715 7.662 1.00 0.00 H new ATOM 0 HA GLU C 56 67.734 10.592 9.640 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.884 13.097 9.370 1.00 0.00 H new ATOM 0 HB3 GLU C 56 66.017 12.500 7.969 1.00 0.00 H new ATOM 0 HG2 GLU C 56 64.647 11.048 9.263 1.00 0.00 H new ATOM 0 HG3 GLU C 56 65.781 11.003 10.599 1.00 0.00 H new ATOM 867 N LEU C 57 67.124 10.425 6.430 1.00 0.00 N ATOM 868 CA LEU C 57 66.685 9.461 5.380 1.00 0.00 C ATOM 869 C LEU C 57 67.157 8.045 5.722 1.00 0.00 C ATOM 870 O LEU C 57 66.444 7.080 5.532 1.00 0.00 O ATOM 871 CB LEU C 57 67.350 9.950 4.093 1.00 0.00 C ATOM 872 CG LEU C 57 66.294 10.103 3.000 1.00 0.00 C ATOM 873 CD1 LEU C 57 66.982 10.330 1.653 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.446 8.830 2.928 1.00 0.00 C ATOM 0 H LEU C 57 67.469 11.319 6.080 1.00 0.00 H new ATOM 0 HA LEU C 57 65.600 9.418 5.290 1.00 0.00 H new ATOM 0 HB2 LEU C 57 67.848 10.904 4.268 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.117 9.243 3.776 1.00 0.00 H new ATOM 0 HG LEU C 57 65.655 10.955 3.231 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.228 10.439 0.873 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.587 11.235 1.702 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.621 9.478 1.423 1.00 0.00 H new ATOM 0 HD21 LEU C 57 64.692 8.939 2.148 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.087 7.979 2.698 1.00 0.00 H new ATOM 0 HD23 LEU C 57 64.955 8.665 3.887 1.00 0.00 H new ATOM 886 N GLN C 58 68.353 7.912 6.228 1.00 0.00 N ATOM 887 CA GLN C 58 68.865 6.556 6.582 1.00 0.00 C ATOM 888 C GLN C 58 67.908 5.875 7.564 1.00 0.00 C ATOM 889 O GLN C 58 67.764 4.669 7.570 1.00 0.00 O ATOM 890 CB GLN C 58 70.224 6.802 7.238 1.00 0.00 C ATOM 891 CG GLN C 58 71.299 6.010 6.493 1.00 0.00 C ATOM 892 CD GLN C 58 71.048 4.511 6.679 1.00 0.00 C ATOM 893 OE1 GLN C 58 70.045 4.116 7.239 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.924 3.655 6.228 1.00 0.00 N ATOM 0 H GLN C 58 68.997 8.681 6.411 1.00 0.00 H new ATOM 0 HA GLN C 58 68.948 5.904 5.713 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.462 7.866 7.219 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.195 6.500 8.285 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.284 6.264 5.433 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.287 6.274 6.870 1.00 0.00 H new ATOM 0 HE21 GLN C 58 72.766 3.987 5.758 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.766 2.654 6.346 1.00 0.00 H new ATOM 903 N GLU C 59 67.248 6.639 8.392 1.00 0.00 N ATOM 904 CA GLU C 59 66.298 6.033 9.368 1.00 0.00 C ATOM 905 C GLU C 59 65.417 4.998 8.664 1.00 0.00 C ATOM 906 O GLU C 59 64.989 4.027 9.255 1.00 0.00 O ATOM 907 CB GLU C 59 65.454 7.200 9.879 1.00 0.00 C ATOM 908 CG GLU C 59 66.369 8.255 10.508 1.00 0.00 C ATOM 909 CD GLU C 59 66.151 8.284 12.021 1.00 0.00 C ATOM 910 OE1 GLU C 59 65.078 8.686 12.438 1.00 0.00 O ATOM 911 OE2 GLU C 59 67.062 7.905 12.739 1.00 0.00 O ATOM 0 H GLU C 59 67.326 7.655 8.435 1.00 0.00 H new ATOM 0 HA GLU C 59 66.809 5.518 10.181 1.00 0.00 H new ATOM 0 HB2 GLU C 59 64.886 7.638 9.059 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.731 6.846 10.614 1.00 0.00 H new ATOM 0 HG2 GLU C 59 67.411 8.027 10.285 1.00 0.00 H new ATOM 0 HG3 GLU C 59 66.158 9.235 10.081 1.00 0.00 H new ATOM 918 N MET C 60 65.148 5.197 7.401 1.00 0.00 N ATOM 919 CA MET C 60 64.300 4.223 6.656 1.00 0.00 C ATOM 920 C MET C 60 65.106 2.960 6.347 1.00 0.00 C ATOM 921 O MET C 60 64.568 1.874 6.253 1.00 0.00 O ATOM 922 CB MET C 60 63.912 4.944 5.364 1.00 0.00 C ATOM 923 CG MET C 60 63.051 6.163 5.698 1.00 0.00 C ATOM 924 SD MET C 60 62.491 6.944 4.164 1.00 0.00 S ATOM 925 CE MET C 60 60.723 6.963 4.554 1.00 0.00 C ATOM 0 H MET C 60 65.479 5.992 6.854 1.00 0.00 H new ATOM 0 HA MET C 60 63.424 3.912 7.225 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.807 5.255 4.826 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.364 4.267 4.708 1.00 0.00 H new ATOM 0 HG2 MET C 60 62.193 5.862 6.300 1.00 0.00 H new ATOM 0 HG3 MET C 60 63.624 6.874 6.293 1.00 0.00 H new ATOM 0 HE1 MET C 60 60.173 7.412 3.727 1.00 0.00 H new ATOM 0 HE2 MET C 60 60.374 5.942 4.710 1.00 0.00 H new ATOM 0 HE3 MET C 60 60.556 7.546 5.460 1.00 0.00 H new ATOM 935 N ILE C 61 66.394 3.094 6.188 1.00 0.00 N ATOM 936 CA ILE C 61 67.239 1.903 5.888 1.00 0.00 C ATOM 937 C ILE C 61 67.762 1.293 7.189 1.00 0.00 C ATOM 938 O ILE C 61 67.868 0.090 7.326 1.00 0.00 O ATOM 939 CB ILE C 61 68.394 2.443 5.043 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.864 2.870 3.673 1.00 0.00 C ATOM 941 CG2 ILE C 61 69.455 1.356 4.859 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.288 4.284 3.763 1.00 0.00 C ATOM 0 H ILE C 61 66.899 3.978 6.253 1.00 0.00 H new ATOM 0 HA ILE C 61 66.687 1.120 5.368 1.00 0.00 H new ATOM 0 HB ILE C 61 68.840 3.299 5.549 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.666 2.840 2.936 1.00 0.00 H new ATOM 0 HG13 ILE C 61 67.095 2.174 3.336 1.00 0.00 H new ATOM 0 HG21 ILE C 61 70.275 1.746 4.256 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.835 1.050 5.834 1.00 0.00 H new ATOM 0 HG23 ILE C 61 69.012 0.497 4.356 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.911 4.586 2.786 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.473 4.300 4.487 1.00 0.00 H new ATOM 0 HD13 ILE C 61 68.069 4.975 4.080 1.00 0.00 H new ATOM 954 N ASP C 62 68.090 2.115 8.148 1.00 0.00 N ATOM 955 CA ASP C 62 68.606 1.583 9.440 1.00 0.00 C ATOM 956 C ASP C 62 67.453 1.038 10.285 1.00 0.00 C ATOM 957 O ASP C 62 67.654 0.496 11.353 1.00 0.00 O ATOM 958 CB ASP C 62 69.257 2.781 10.130 1.00 0.00 C ATOM 959 CG ASP C 62 70.529 2.329 10.849 1.00 0.00 C ATOM 960 OD1 ASP C 62 70.414 1.828 11.956 1.00 0.00 O ATOM 961 OD2 ASP C 62 71.596 2.491 10.281 1.00 0.00 O ATOM 0 H ASP C 62 68.023 3.131 8.092 1.00 0.00 H new ATOM 0 HA ASP C 62 69.310 0.763 9.297 1.00 0.00 H new ATOM 0 HB2 ASP C 62 69.496 3.551 9.396 1.00 0.00 H new ATOM 0 HB3 ASP C 62 68.562 3.225 10.843 1.00 0.00 H new ATOM 966 N GLU C 63 66.243 1.176 9.814 1.00 0.00 N ATOM 967 CA GLU C 63 65.078 0.664 10.590 1.00 0.00 C ATOM 968 C GLU C 63 64.894 -0.833 10.331 1.00 0.00 C ATOM 969 O GLU C 63 64.383 -1.560 11.161 1.00 0.00 O ATOM 970 CB GLU C 63 63.875 1.453 10.071 1.00 0.00 C ATOM 971 CG GLU C 63 63.332 2.350 11.186 1.00 0.00 C ATOM 972 CD GLU C 63 62.095 3.097 10.686 1.00 0.00 C ATOM 973 OE1 GLU C 63 62.221 3.835 9.722 1.00 0.00 O ATOM 974 OE2 GLU C 63 61.041 2.919 11.274 1.00 0.00 O ATOM 0 H GLU C 63 66.011 1.621 8.926 1.00 0.00 H new ATOM 0 HA GLU C 63 65.209 0.788 11.665 1.00 0.00 H new ATOM 0 HB2 GLU C 63 64.167 2.058 9.213 1.00 0.00 H new ATOM 0 HB3 GLU C 63 63.098 0.769 9.729 1.00 0.00 H new ATOM 0 HG2 GLU C 63 63.078 1.749 12.059 1.00 0.00 H new ATOM 0 HG3 GLU C 63 64.097 3.061 11.500 1.00 0.00 H new ATOM 981 N VAL C 64 65.310 -1.301 9.186 1.00 0.00 N ATOM 982 CA VAL C 64 65.162 -2.753 8.872 1.00 0.00 C ATOM 983 C VAL C 64 66.497 -3.329 8.392 1.00 0.00 C ATOM 984 O VAL C 64 66.539 -4.248 7.598 1.00 0.00 O ATOM 985 CB VAL C 64 64.116 -2.820 7.756 1.00 0.00 C ATOM 986 CG1 VAL C 64 62.720 -2.649 8.355 1.00 0.00 C ATOM 987 CG2 VAL C 64 64.373 -1.704 6.738 1.00 0.00 C ATOM 0 H VAL C 64 65.746 -0.741 8.453 1.00 0.00 H new ATOM 0 HA VAL C 64 64.860 -3.332 9.744 1.00 0.00 H new ATOM 0 HB VAL C 64 64.184 -3.787 7.257 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.975 -2.697 7.561 1.00 0.00 H new ATOM 0 HG12 VAL C 64 62.533 -3.445 9.076 1.00 0.00 H new ATOM 0 HG13 VAL C 64 62.655 -1.683 8.856 1.00 0.00 H new ATOM 0 HG21 VAL C 64 63.626 -1.755 5.946 1.00 0.00 H new ATOM 0 HG22 VAL C 64 64.309 -0.736 7.235 1.00 0.00 H new ATOM 0 HG23 VAL C 64 65.367 -1.826 6.308 1.00 0.00 H new ATOM 997 N ASP C 65 67.590 -2.800 8.871 1.00 0.00 N ATOM 998 CA ASP C 65 68.922 -3.322 8.444 1.00 0.00 C ATOM 999 C ASP C 65 69.443 -4.335 9.468 1.00 0.00 C ATOM 1000 O ASP C 65 69.754 -3.992 10.590 1.00 0.00 O ATOM 1001 CB ASP C 65 69.832 -2.095 8.392 1.00 0.00 C ATOM 1002 CG ASP C 65 70.670 -2.134 7.112 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.907 -3.224 6.617 1.00 0.00 O ATOM 1004 OD2 ASP C 65 71.060 -1.075 6.650 1.00 0.00 O ATOM 0 H ASP C 65 67.619 -2.030 9.539 1.00 0.00 H new ATOM 0 HA ASP C 65 68.877 -3.835 7.483 1.00 0.00 H new ATOM 0 HB2 ASP C 65 69.234 -1.184 8.420 1.00 0.00 H new ATOM 0 HB3 ASP C 65 70.484 -2.075 9.265 1.00 0.00 H new ATOM 1009 N GLU C 66 69.540 -5.580 9.090 1.00 0.00 N ATOM 1010 CA GLU C 66 70.041 -6.612 10.043 1.00 0.00 C ATOM 1011 C GLU C 66 71.379 -7.176 9.557 1.00 0.00 C ATOM 1012 O GLU C 66 71.778 -8.262 9.929 1.00 0.00 O ATOM 1013 CB GLU C 66 68.969 -7.702 10.050 1.00 0.00 C ATOM 1014 CG GLU C 66 67.608 -7.077 10.361 1.00 0.00 C ATOM 1015 CD GLU C 66 66.530 -7.750 9.509 1.00 0.00 C ATOM 1016 OE1 GLU C 66 66.223 -8.901 9.776 1.00 0.00 O ATOM 1017 OE2 GLU C 66 66.029 -7.104 8.603 1.00 0.00 O ATOM 0 H GLU C 66 69.294 -5.928 8.163 1.00 0.00 H new ATOM 0 HA GLU C 66 70.212 -6.204 11.039 1.00 0.00 H new ATOM 0 HB2 GLU C 66 68.938 -8.203 9.082 1.00 0.00 H new ATOM 0 HB3 GLU C 66 69.211 -8.461 10.794 1.00 0.00 H new ATOM 0 HG2 GLU C 66 67.376 -7.194 11.419 1.00 0.00 H new ATOM 0 HG3 GLU C 66 67.632 -6.007 10.157 1.00 0.00 H new ATOM 1024 N ASP C 67 72.076 -6.445 8.730 1.00 0.00 N ATOM 1025 CA ASP C 67 73.389 -6.938 8.221 1.00 0.00 C ATOM 1026 C ASP C 67 74.405 -5.792 8.186 1.00 0.00 C ATOM 1027 O ASP C 67 75.489 -5.926 7.654 1.00 0.00 O ATOM 1028 CB ASP C 67 73.103 -7.445 6.808 1.00 0.00 C ATOM 1029 CG ASP C 67 72.367 -6.362 6.016 1.00 0.00 C ATOM 1030 OD1 ASP C 67 72.592 -5.195 6.295 1.00 0.00 O ATOM 1031 OD2 ASP C 67 71.591 -6.718 5.144 1.00 0.00 O ATOM 0 H ASP C 67 71.794 -5.528 8.385 1.00 0.00 H new ATOM 0 HA ASP C 67 73.811 -7.718 8.854 1.00 0.00 H new ATOM 0 HB2 ASP C 67 74.036 -7.705 6.308 1.00 0.00 H new ATOM 0 HB3 ASP C 67 72.500 -8.352 6.851 1.00 0.00 H new ATOM 1036 N GLY C 68 74.061 -4.666 8.749 1.00 0.00 N ATOM 1037 CA GLY C 68 75.006 -3.512 8.749 1.00 0.00 C ATOM 1038 C GLY C 68 75.520 -3.269 7.329 1.00 0.00 C ATOM 1039 O GLY C 68 76.684 -2.990 7.119 1.00 0.00 O ATOM 0 H GLY C 68 73.167 -4.495 9.209 1.00 0.00 H new ATOM 0 HA2 GLY C 68 74.505 -2.619 9.123 1.00 0.00 H new ATOM 0 HA3 GLY C 68 75.842 -3.713 9.419 1.00 0.00 H new ATOM 1043 N SER C 69 74.662 -3.371 6.351 1.00 0.00 N ATOM 1044 CA SER C 69 75.104 -3.144 4.944 1.00 0.00 C ATOM 1045 C SER C 69 74.858 -1.688 4.540 1.00 0.00 C ATOM 1046 O SER C 69 75.530 -1.149 3.682 1.00 0.00 O ATOM 1047 CB SER C 69 74.244 -4.086 4.103 1.00 0.00 C ATOM 1048 OG SER C 69 72.892 -3.649 4.145 1.00 0.00 O ATOM 0 H SER C 69 73.675 -3.601 6.464 1.00 0.00 H new ATOM 0 HA SER C 69 76.169 -3.334 4.810 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.601 -4.102 3.073 1.00 0.00 H new ATOM 0 HB3 SER C 69 74.321 -5.105 4.483 1.00 0.00 H new ATOM 0 HG SER C 69 72.431 -4.084 4.892 1.00 0.00 H new ATOM 1054 N GLY C 70 73.901 -1.046 5.151 1.00 0.00 N ATOM 1055 CA GLY C 70 73.615 0.374 4.802 1.00 0.00 C ATOM 1056 C GLY C 70 72.718 0.427 3.563 1.00 0.00 C ATOM 1057 O GLY C 70 72.611 1.443 2.906 1.00 0.00 O ATOM 0 H GLY C 70 73.305 -1.443 5.877 1.00 0.00 H new ATOM 0 HA2 GLY C 70 73.127 0.873 5.639 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.547 0.907 4.612 1.00 0.00 H new ATOM 1061 N THR C 71 72.072 -0.659 3.239 1.00 0.00 N ATOM 1062 CA THR C 71 71.182 -0.669 2.042 1.00 0.00 C ATOM 1063 C THR C 71 70.007 -1.625 2.266 1.00 0.00 C ATOM 1064 O THR C 71 70.099 -2.573 3.020 1.00 0.00 O ATOM 1065 CB THR C 71 72.065 -1.161 0.895 1.00 0.00 C ATOM 1066 OG1 THR C 71 73.029 -2.076 1.401 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.776 0.028 0.249 1.00 0.00 C ATOM 0 H THR C 71 72.121 -1.540 3.751 1.00 0.00 H new ATOM 0 HA THR C 71 70.757 0.313 1.835 1.00 0.00 H new ATOM 0 HB THR C 71 71.447 -1.660 0.148 1.00 0.00 H new ATOM 0 HG1 THR C 71 73.595 -2.394 0.667 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.405 -0.325 -0.568 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.036 0.728 -0.139 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.395 0.530 0.993 1.00 0.00 H new ATOM 1075 N VAL C 72 68.900 -1.383 1.618 1.00 0.00 N ATOM 1076 CA VAL C 72 67.720 -2.277 1.795 1.00 0.00 C ATOM 1077 C VAL C 72 67.435 -3.041 0.499 1.00 0.00 C ATOM 1078 O VAL C 72 67.738 -2.581 -0.584 1.00 0.00 O ATOM 1079 CB VAL C 72 66.561 -1.337 2.137 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.230 -2.055 1.909 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.666 -0.915 3.604 1.00 0.00 C ATOM 0 H VAL C 72 68.762 -0.605 0.973 1.00 0.00 H new ATOM 0 HA VAL C 72 67.879 -3.025 2.572 1.00 0.00 H new ATOM 0 HB VAL C 72 66.610 -0.456 1.497 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.407 -1.383 2.153 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.154 -2.357 0.864 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.179 -2.938 2.546 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.842 -0.246 3.850 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.619 -1.798 4.241 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.613 -0.400 3.768 1.00 0.00 H new ATOM 1091 N ASP C 73 66.852 -4.203 0.602 1.00 0.00 N ATOM 1092 CA ASP C 73 66.545 -4.998 -0.622 1.00 0.00 C ATOM 1093 C ASP C 73 65.111 -5.528 -0.559 1.00 0.00 C ATOM 1094 O ASP C 73 64.425 -5.373 0.431 1.00 0.00 O ATOM 1095 CB ASP C 73 67.546 -6.153 -0.605 1.00 0.00 C ATOM 1096 CG ASP C 73 68.695 -5.849 -1.569 1.00 0.00 C ATOM 1097 OD1 ASP C 73 69.606 -5.143 -1.168 1.00 0.00 O ATOM 1098 OD2 ASP C 73 68.644 -6.327 -2.691 1.00 0.00 O ATOM 0 H ASP C 73 66.574 -4.638 1.482 1.00 0.00 H new ATOM 0 HA ASP C 73 66.625 -4.404 -1.533 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.933 -6.298 0.404 1.00 0.00 H new ATOM 0 HB3 ASP C 73 67.052 -7.081 -0.893 1.00 0.00 H new ATOM 1103 N PHE C 74 64.655 -6.158 -1.607 1.00 0.00 N ATOM 1104 CA PHE C 74 63.266 -6.701 -1.600 1.00 0.00 C ATOM 1105 C PHE C 74 63.030 -7.509 -0.321 1.00 0.00 C ATOM 1106 O PHE C 74 61.908 -7.709 0.101 1.00 0.00 O ATOM 1107 CB PHE C 74 63.187 -7.608 -2.828 1.00 0.00 C ATOM 1108 CG PHE C 74 61.738 -7.859 -3.177 1.00 0.00 C ATOM 1109 CD1 PHE C 74 60.922 -6.797 -3.586 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.213 -9.153 -3.090 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.579 -7.031 -3.908 1.00 0.00 C ATOM 1112 CE2 PHE C 74 59.871 -9.387 -3.413 1.00 0.00 C ATOM 1113 CZ PHE C 74 59.054 -8.326 -3.821 1.00 0.00 C ATOM 0 H PHE C 74 65.182 -6.320 -2.465 1.00 0.00 H new ATOM 0 HA PHE C 74 62.512 -5.914 -1.628 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.700 -7.143 -3.670 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.693 -8.553 -2.629 1.00 0.00 H new ATOM 0 HD1 PHE C 74 61.328 -5.798 -3.653 1.00 0.00 H new ATOM 0 HD2 PHE C 74 61.843 -9.971 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE C 74 58.949 -6.213 -4.223 1.00 0.00 H new ATOM 0 HE2 PHE C 74 59.466 -10.386 -3.347 1.00 0.00 H new ATOM 0 HZ PHE C 74 58.018 -8.506 -4.069 1.00 0.00 H new ATOM 1123 N ASP C 75 64.081 -7.973 0.298 1.00 0.00 N ATOM 1124 CA ASP C 75 63.920 -8.767 1.550 1.00 0.00 C ATOM 1125 C ASP C 75 63.692 -7.834 2.743 1.00 0.00 C ATOM 1126 O ASP C 75 62.738 -7.977 3.482 1.00 0.00 O ATOM 1127 CB ASP C 75 65.238 -9.527 1.708 1.00 0.00 C ATOM 1128 CG ASP C 75 65.159 -10.438 2.934 1.00 0.00 C ATOM 1129 OD1 ASP C 75 64.889 -9.930 4.009 1.00 0.00 O ATOM 1130 OD2 ASP C 75 65.371 -11.629 2.774 1.00 0.00 O ATOM 0 H ASP C 75 65.044 -7.837 -0.009 1.00 0.00 H new ATOM 0 HA ASP C 75 63.064 -9.440 1.505 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.438 -10.119 0.815 1.00 0.00 H new ATOM 0 HB3 ASP C 75 66.064 -8.824 1.817 1.00 0.00 H new ATOM 1135 N GLU C 76 64.560 -6.880 2.935 1.00 0.00 N ATOM 1136 CA GLU C 76 64.394 -5.938 4.079 1.00 0.00 C ATOM 1137 C GLU C 76 63.325 -4.893 3.753 1.00 0.00 C ATOM 1138 O GLU C 76 62.712 -4.323 4.635 1.00 0.00 O ATOM 1139 CB GLU C 76 65.760 -5.272 4.246 1.00 0.00 C ATOM 1140 CG GLU C 76 66.741 -6.263 4.877 1.00 0.00 C ATOM 1141 CD GLU C 76 68.047 -5.542 5.216 1.00 0.00 C ATOM 1142 OE1 GLU C 76 68.294 -4.499 4.633 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.778 -6.045 6.054 1.00 0.00 O ATOM 0 H GLU C 76 65.378 -6.711 2.349 1.00 0.00 H new ATOM 0 HA GLU C 76 64.074 -6.446 4.989 1.00 0.00 H new ATOM 0 HB2 GLU C 76 66.135 -4.940 3.278 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.669 -4.385 4.873 1.00 0.00 H new ATOM 0 HG2 GLU C 76 66.308 -6.696 5.779 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.935 -7.086 4.190 1.00 0.00 H new ATOM 1150 N PHE C 77 63.097 -4.634 2.495 1.00 0.00 N ATOM 1151 CA PHE C 77 62.068 -3.623 2.116 1.00 0.00 C ATOM 1152 C PHE C 77 60.665 -4.150 2.426 1.00 0.00 C ATOM 1153 O PHE C 77 59.913 -3.541 3.160 1.00 0.00 O ATOM 1154 CB PHE C 77 62.243 -3.422 0.611 1.00 0.00 C ATOM 1155 CG PHE C 77 61.154 -2.512 0.098 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.933 -1.271 0.707 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.364 -2.909 -0.988 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.923 -0.427 0.230 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.354 -2.065 -1.464 1.00 0.00 C ATOM 1160 CZ PHE C 77 59.134 -0.824 -0.855 1.00 0.00 C ATOM 0 H PHE C 77 63.578 -5.078 1.713 1.00 0.00 H new ATOM 0 HA PHE C 77 62.186 -2.691 2.669 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.222 -2.990 0.402 1.00 0.00 H new ATOM 0 HB3 PHE C 77 62.202 -4.382 0.097 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.542 -0.965 1.545 1.00 0.00 H new ATOM 0 HD2 PHE C 77 60.534 -3.866 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.753 0.531 0.700 1.00 0.00 H new ATOM 0 HE2 PHE C 77 58.744 -2.371 -2.301 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.355 -0.173 -1.223 1.00 0.00 H new ATOM 1170 N LEU C 78 60.307 -5.276 1.871 1.00 0.00 N ATOM 1171 CA LEU C 78 58.951 -5.837 2.135 1.00 0.00 C ATOM 1172 C LEU C 78 58.606 -5.703 3.619 1.00 0.00 C ATOM 1173 O LEU C 78 57.479 -5.433 3.983 1.00 0.00 O ATOM 1174 CB LEU C 78 59.045 -7.309 1.735 1.00 0.00 C ATOM 1175 CG LEU C 78 58.982 -7.430 0.212 1.00 0.00 C ATOM 1176 CD1 LEU C 78 59.080 -8.903 -0.190 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.655 -6.853 -0.290 1.00 0.00 C ATOM 0 H LEU C 78 60.893 -5.831 1.247 1.00 0.00 H new ATOM 0 HA LEU C 78 58.172 -5.315 1.579 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.975 -7.739 2.106 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.230 -7.873 2.189 1.00 0.00 H new ATOM 0 HG LEU C 78 59.811 -6.878 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU C 78 59.035 -8.988 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU C 78 60.023 -9.316 0.167 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.251 -9.457 0.252 1.00 0.00 H new ATOM 0 HD21 LEU C 78 57.609 -6.939 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.827 -7.406 0.153 1.00 0.00 H new ATOM 0 HD23 LEU C 78 57.584 -5.803 -0.005 1.00 0.00 H new ATOM 1189 N VAL C 79 59.570 -5.885 4.480 1.00 0.00 N ATOM 1190 CA VAL C 79 59.298 -5.764 5.940 1.00 0.00 C ATOM 1191 C VAL C 79 59.037 -4.300 6.305 1.00 0.00 C ATOM 1192 O VAL C 79 58.294 -4.000 7.219 1.00 0.00 O ATOM 1193 CB VAL C 79 60.568 -6.270 6.623 1.00 0.00 C ATOM 1194 CG1 VAL C 79 60.552 -5.859 8.095 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.630 -7.794 6.521 1.00 0.00 C ATOM 0 H VAL C 79 60.534 -6.112 4.235 1.00 0.00 H new ATOM 0 HA VAL C 79 58.419 -6.331 6.247 1.00 0.00 H new ATOM 0 HB VAL C 79 61.441 -5.838 6.133 1.00 0.00 H new ATOM 0 HG11 VAL C 79 61.457 -6.219 8.583 1.00 0.00 H new ATOM 0 HG12 VAL C 79 60.508 -4.772 8.169 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.679 -6.292 8.584 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.536 -8.155 7.008 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.758 -8.227 7.010 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.641 -8.088 5.472 1.00 0.00 H new ATOM 1205 N MET C 80 59.644 -3.388 5.596 1.00 0.00 N ATOM 1206 CA MET C 80 59.432 -1.943 5.900 1.00 0.00 C ATOM 1207 C MET C 80 57.995 -1.537 5.565 1.00 0.00 C ATOM 1208 O MET C 80 57.551 -0.457 5.898 1.00 0.00 O ATOM 1209 CB MET C 80 60.422 -1.199 5.002 1.00 0.00 C ATOM 1210 CG MET C 80 61.119 -0.102 5.809 1.00 0.00 C ATOM 1211 SD MET C 80 60.495 1.517 5.291 1.00 0.00 S ATOM 1212 CE MET C 80 61.136 1.476 3.599 1.00 0.00 C ATOM 0 H MET C 80 60.277 -3.580 4.820 1.00 0.00 H new ATOM 0 HA MET C 80 59.588 -1.716 6.955 1.00 0.00 H new ATOM 0 HB2 MET C 80 61.159 -1.895 4.601 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.900 -0.763 4.151 1.00 0.00 H new ATOM 0 HG2 MET C 80 60.939 -0.249 6.874 1.00 0.00 H new ATOM 0 HG3 MET C 80 62.197 -0.154 5.658 1.00 0.00 H new ATOM 0 HE1 MET C 80 61.452 2.477 3.305 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.988 0.797 3.549 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.355 1.129 2.922 1.00 0.00 H new ATOM 1222 N MET C 81 57.266 -2.395 4.904 1.00 0.00 N ATOM 1223 CA MET C 81 55.858 -2.057 4.546 1.00 0.00 C ATOM 1224 C MET C 81 54.893 -2.654 5.574 1.00 0.00 C ATOM 1225 O MET C 81 53.977 -1.999 6.032 1.00 0.00 O ATOM 1226 CB MET C 81 55.638 -2.688 3.171 1.00 0.00 C ATOM 1227 CG MET C 81 55.787 -1.618 2.087 1.00 0.00 C ATOM 1228 SD MET C 81 54.221 -0.730 1.895 1.00 0.00 S ATOM 1229 CE MET C 81 54.895 0.748 1.095 1.00 0.00 C ATOM 0 H MET C 81 57.584 -3.314 4.597 1.00 0.00 H new ATOM 0 HA MET C 81 55.681 -0.982 4.533 1.00 0.00 H new ATOM 0 HB2 MET C 81 56.359 -3.489 3.007 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.646 -3.137 3.120 1.00 0.00 H new ATOM 0 HG2 MET C 81 56.582 -0.922 2.355 1.00 0.00 H new ATOM 0 HG3 MET C 81 56.074 -2.080 1.142 1.00 0.00 H new ATOM 0 HE1 MET C 81 54.086 1.447 0.882 1.00 0.00 H new ATOM 0 HE2 MET C 81 55.619 1.222 1.757 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.386 0.466 0.164 1.00 0.00 H new ATOM 1239 N VAL C 82 55.091 -3.890 5.942 1.00 0.00 N ATOM 1240 CA VAL C 82 54.181 -4.520 6.942 1.00 0.00 C ATOM 1241 C VAL C 82 54.076 -3.631 8.183 1.00 0.00 C ATOM 1242 O VAL C 82 53.030 -3.514 8.790 1.00 0.00 O ATOM 1243 CB VAL C 82 54.834 -5.858 7.297 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.847 -6.710 8.097 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.218 -6.600 6.014 1.00 0.00 C ATOM 0 H VAL C 82 55.840 -4.489 5.596 1.00 0.00 H new ATOM 0 HA VAL C 82 53.172 -4.655 6.554 1.00 0.00 H new ATOM 0 HB VAL C 82 55.728 -5.676 7.893 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.311 -7.663 8.350 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.572 -6.186 9.012 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.953 -6.889 7.499 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.683 -7.552 6.270 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.324 -6.781 5.417 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.921 -5.996 5.441 1.00 0.00 H new ATOM 1255 N ARG C 83 55.154 -3.001 8.563 1.00 0.00 N ATOM 1256 CA ARG C 83 55.119 -2.118 9.763 1.00 0.00 C ATOM 1257 C ARG C 83 53.968 -1.113 9.647 1.00 0.00 C ATOM 1258 O ARG C 83 53.350 -0.748 10.626 1.00 0.00 O ATOM 1259 CB ARG C 83 56.467 -1.395 9.757 1.00 0.00 C ATOM 1260 CG ARG C 83 57.569 -2.367 10.181 1.00 0.00 C ATOM 1261 CD ARG C 83 58.616 -1.621 11.013 1.00 0.00 C ATOM 1262 NE ARG C 83 58.007 -1.487 12.364 1.00 0.00 N ATOM 1263 CZ ARG C 83 58.655 -1.907 13.417 1.00 0.00 C ATOM 1264 NH1 ARG C 83 58.875 -3.182 13.583 1.00 0.00 N ATOM 1265 NH2 ARG C 83 59.083 -1.050 14.303 1.00 0.00 N ATOM 0 H ARG C 83 56.058 -3.060 8.094 1.00 0.00 H new ATOM 0 HA ARG C 83 54.959 -2.677 10.685 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.677 -1.002 8.762 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.438 -0.543 10.436 1.00 0.00 H new ATOM 0 HG2 ARG C 83 57.143 -3.185 10.762 1.00 0.00 H new ATOM 0 HG3 ARG C 83 58.036 -2.810 9.301 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.554 -2.174 11.056 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.841 -0.645 10.582 1.00 0.00 H new ATOM 0 HE ARG C 83 57.083 -1.067 12.468 1.00 0.00 H new ATOM 0 HH11 ARG C 83 58.541 -3.852 12.890 1.00 0.00 H new ATOM 0 HH12 ARG C 83 59.381 -3.509 14.406 1.00 0.00 H new ATOM 0 HH21 ARG C 83 58.911 -0.053 14.173 1.00 0.00 H new ATOM 0 HH22 ARG C 83 59.589 -1.377 15.126 1.00 0.00 H new ATOM 1279 N CYS C 84 53.676 -0.664 8.457 1.00 0.00 N ATOM 1280 CA CYS C 84 52.565 0.316 8.281 1.00 0.00 C ATOM 1281 C CYS C 84 51.217 -0.365 8.539 1.00 0.00 C ATOM 1282 O CYS C 84 50.183 0.272 8.563 1.00 0.00 O ATOM 1283 CB CYS C 84 52.667 0.774 6.826 1.00 0.00 C ATOM 1284 SG CYS C 84 52.291 2.542 6.719 1.00 0.00 S ATOM 0 H CYS C 84 54.158 -0.933 7.599 1.00 0.00 H new ATOM 0 HA CYS C 84 52.636 1.153 8.976 1.00 0.00 H new ATOM 0 HB2 CYS C 84 53.669 0.581 6.443 1.00 0.00 H new ATOM 0 HB3 CYS C 84 51.974 0.206 6.206 1.00 0.00 H new ATOM 0 HG CYS C 84 51.202 2.795 7.383 1.00 0.00 H new ATOM 1290 N MET C 85 51.223 -1.655 8.733 1.00 0.00 N ATOM 1291 CA MET C 85 49.944 -2.376 8.990 1.00 0.00 C ATOM 1292 C MET C 85 50.220 -3.693 9.723 1.00 0.00 C ATOM 1293 O MET C 85 50.452 -4.718 9.113 1.00 0.00 O ATOM 1294 CB MET C 85 49.355 -2.646 7.605 1.00 0.00 C ATOM 1295 CG MET C 85 50.422 -3.281 6.711 1.00 0.00 C ATOM 1296 SD MET C 85 49.822 -3.340 5.005 1.00 0.00 S ATOM 1297 CE MET C 85 49.851 -5.139 4.817 1.00 0.00 C ATOM 0 H MET C 85 52.058 -2.241 8.725 1.00 0.00 H new ATOM 0 HA MET C 85 49.263 -1.800 9.616 1.00 0.00 H new ATOM 0 HB2 MET C 85 48.493 -3.308 7.688 1.00 0.00 H new ATOM 0 HB3 MET C 85 49.000 -1.716 7.161 1.00 0.00 H new ATOM 0 HG2 MET C 85 51.346 -2.705 6.763 1.00 0.00 H new ATOM 0 HG3 MET C 85 50.654 -4.287 7.061 1.00 0.00 H new ATOM 0 HE1 MET C 85 49.511 -5.406 3.816 1.00 0.00 H new ATOM 0 HE2 MET C 85 50.867 -5.504 4.965 1.00 0.00 H new ATOM 0 HE3 MET C 85 49.192 -5.593 5.557 1.00 0.00 H new ATOM 1411 N SER I 3 53.684 5.436 3.789 1.00 0.00 N ATOM 1412 CA SER I 3 52.348 4.770 3.795 1.00 0.00 C ATOM 1413 C SER I 3 51.978 4.319 2.380 1.00 0.00 C ATOM 1414 O SER I 3 52.835 4.046 1.562 1.00 0.00 O ATOM 1415 CB SER I 3 51.369 5.834 4.293 1.00 0.00 C ATOM 1416 OG SER I 3 52.093 6.957 4.780 1.00 0.00 O ATOM 0 HA SER I 3 52.334 3.882 4.427 1.00 0.00 H new ATOM 0 HB2 SER I 3 50.705 6.139 3.484 1.00 0.00 H new ATOM 0 HB3 SER I 3 50.740 5.423 5.083 1.00 0.00 H new ATOM 0 HG SER I 3 53.050 6.828 4.610 1.00 0.00 H new ATOM 1422 N ALA I 4 50.710 4.235 2.084 1.00 0.00 N ATOM 1423 CA ALA I 4 50.289 3.798 0.721 1.00 0.00 C ATOM 1424 C ALA I 4 49.307 4.804 0.112 1.00 0.00 C ATOM 1425 O ALA I 4 49.199 4.928 -1.092 1.00 0.00 O ATOM 1426 CB ALA I 4 49.606 2.446 0.934 1.00 0.00 C ATOM 0 H ALA I 4 49.947 4.450 2.726 1.00 0.00 H new ATOM 0 HA ALA I 4 51.133 3.729 0.034 1.00 0.00 H new ATOM 0 HB1 ALA I 4 49.266 2.055 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA I 4 50.314 1.747 1.380 1.00 0.00 H new ATOM 0 HB3 ALA I 4 48.751 2.571 1.599 1.00 0.00 H new ATOM 1432 N ASP I 5 48.586 5.519 0.932 1.00 0.00 N ATOM 1433 CA ASP I 5 47.608 6.511 0.395 1.00 0.00 C ATOM 1434 C ASP I 5 48.324 7.556 -0.466 1.00 0.00 C ATOM 1435 O ASP I 5 47.925 7.832 -1.581 1.00 0.00 O ATOM 1436 CB ASP I 5 46.989 7.165 1.630 1.00 0.00 C ATOM 1437 CG ASP I 5 45.466 7.022 1.573 1.00 0.00 C ATOM 1438 OD1 ASP I 5 45.003 5.926 1.302 1.00 0.00 O ATOM 1439 OD2 ASP I 5 44.789 8.012 1.801 1.00 0.00 O ATOM 0 H ASP I 5 48.631 5.460 1.949 1.00 0.00 H new ATOM 0 HA ASP I 5 46.855 6.044 -0.240 1.00 0.00 H new ATOM 0 HB2 ASP I 5 47.375 6.697 2.535 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.265 8.219 1.674 1.00 0.00 H new ATOM 1444 N ALA I 6 49.374 8.142 0.040 1.00 0.00 N ATOM 1445 CA ALA I 6 50.108 9.170 -0.754 1.00 0.00 C ATOM 1446 C ALA I 6 51.068 8.496 -1.738 1.00 0.00 C ATOM 1447 O ALA I 6 51.223 8.926 -2.864 1.00 0.00 O ATOM 1448 CB ALA I 6 50.889 9.984 0.278 1.00 0.00 C ATOM 0 H ALA I 6 49.756 7.955 0.967 1.00 0.00 H new ATOM 0 HA ALA I 6 49.434 9.793 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA I 6 51.458 10.764 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA I 6 50.194 10.441 0.983 1.00 0.00 H new ATOM 0 HB3 ALA I 6 51.573 9.328 0.817 1.00 0.00 H new ATOM 1454 N MET I 7 51.716 7.445 -1.321 1.00 0.00 N ATOM 1455 CA MET I 7 52.672 6.744 -2.225 1.00 0.00 C ATOM 1456 C MET I 7 51.994 6.380 -3.552 1.00 0.00 C ATOM 1457 O MET I 7 52.532 6.608 -4.616 1.00 0.00 O ATOM 1458 CB MET I 7 53.078 5.481 -1.463 1.00 0.00 C ATOM 1459 CG MET I 7 54.055 4.662 -2.309 1.00 0.00 C ATOM 1460 SD MET I 7 55.559 4.338 -1.354 1.00 0.00 S ATOM 1461 CE MET I 7 56.286 3.125 -2.482 1.00 0.00 C ATOM 0 H MET I 7 51.625 7.039 -0.390 1.00 0.00 H new ATOM 0 HA MET I 7 53.531 7.366 -2.476 1.00 0.00 H new ATOM 0 HB2 MET I 7 53.541 5.750 -0.514 1.00 0.00 H new ATOM 0 HB3 MET I 7 52.195 4.885 -1.230 1.00 0.00 H new ATOM 0 HG2 MET I 7 53.593 3.722 -2.609 1.00 0.00 H new ATOM 0 HG3 MET I 7 54.302 5.202 -3.223 1.00 0.00 H new ATOM 0 HE1 MET I 7 56.517 2.212 -1.934 1.00 0.00 H new ATOM 0 HE2 MET I 7 55.578 2.900 -3.280 1.00 0.00 H new ATOM 0 HE3 MET I 7 57.201 3.531 -2.913 1.00 0.00 H new ATOM 1471 N MET I 8 50.822 5.812 -3.503 1.00 0.00 N ATOM 1472 CA MET I 8 50.129 5.431 -4.768 1.00 0.00 C ATOM 1473 C MET I 8 49.695 6.677 -5.549 1.00 0.00 C ATOM 1474 O MET I 8 49.376 6.603 -6.720 1.00 0.00 O ATOM 1475 CB MET I 8 48.911 4.621 -4.324 1.00 0.00 C ATOM 1476 CG MET I 8 49.305 3.151 -4.171 1.00 0.00 C ATOM 1477 SD MET I 8 50.685 3.015 -3.007 1.00 0.00 S ATOM 1478 CE MET I 8 52.021 3.194 -4.214 1.00 0.00 C ATOM 0 H MET I 8 50.314 5.595 -2.646 1.00 0.00 H new ATOM 0 HA MET I 8 50.779 4.862 -5.433 1.00 0.00 H new ATOM 0 HB2 MET I 8 48.529 5.007 -3.379 1.00 0.00 H new ATOM 0 HB3 MET I 8 48.109 4.719 -5.056 1.00 0.00 H new ATOM 0 HG2 MET I 8 48.455 2.571 -3.813 1.00 0.00 H new ATOM 0 HG3 MET I 8 49.589 2.737 -5.138 1.00 0.00 H new ATOM 0 HE1 MET I 8 52.789 2.446 -4.020 1.00 0.00 H new ATOM 0 HE2 MET I 8 51.624 3.054 -5.219 1.00 0.00 H new ATOM 0 HE3 MET I 8 52.456 4.190 -4.131 1.00 0.00 H new ATOM 1488 N GLN I 9 49.676 7.819 -4.918 1.00 0.00 N ATOM 1489 CA GLN I 9 49.257 9.057 -5.639 1.00 0.00 C ATOM 1490 C GLN I 9 50.448 9.674 -6.381 1.00 0.00 C ATOM 1491 O GLN I 9 50.401 9.893 -7.575 1.00 0.00 O ATOM 1492 CB GLN I 9 48.758 10.004 -4.548 1.00 0.00 C ATOM 1493 CG GLN I 9 47.425 10.622 -4.978 1.00 0.00 C ATOM 1494 CD GLN I 9 47.550 11.165 -6.403 1.00 0.00 C ATOM 1495 OE1 GLN I 9 47.917 12.306 -6.602 1.00 0.00 O ATOM 1496 NE2 GLN I 9 47.256 10.390 -7.411 1.00 0.00 N ATOM 0 H GLN I 9 49.931 7.950 -3.939 1.00 0.00 H new ATOM 0 HA GLN I 9 48.490 8.855 -6.387 1.00 0.00 H new ATOM 0 HB2 GLN I 9 48.634 9.462 -3.610 1.00 0.00 H new ATOM 0 HB3 GLN I 9 49.493 10.788 -4.368 1.00 0.00 H new ATOM 0 HG2 GLN I 9 46.633 9.874 -4.931 1.00 0.00 H new ATOM 0 HG3 GLN I 9 47.147 11.424 -4.295 1.00 0.00 H new ATOM 0 HE21 GLN I 9 46.948 9.432 -7.245 1.00 0.00 H new ATOM 0 HE22 GLN I 9 47.334 10.742 -8.365 1.00 0.00 H new ATOM 1505 N ALA I 10 51.515 9.954 -5.683 1.00 0.00 N ATOM 1506 CA ALA I 10 52.705 10.556 -6.351 1.00 0.00 C ATOM 1507 C ALA I 10 53.584 9.457 -6.955 1.00 0.00 C ATOM 1508 O ALA I 10 53.930 9.493 -8.119 1.00 0.00 O ATOM 1509 CB ALA I 10 53.453 11.292 -5.239 1.00 0.00 C ATOM 0 H ALA I 10 51.615 9.792 -4.681 1.00 0.00 H new ATOM 0 HA ALA I 10 52.428 11.224 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA I 10 54.345 11.764 -5.651 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.805 12.055 -4.808 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.743 10.582 -4.464 1.00 0.00 H new ATOM 1515 N LEU I 11 53.948 8.481 -6.169 1.00 0.00 N ATOM 1516 CA LEU I 11 54.803 7.380 -6.695 1.00 0.00 C ATOM 1517 C LEU I 11 54.004 6.515 -7.676 1.00 0.00 C ATOM 1518 O LEU I 11 52.930 6.040 -7.365 1.00 0.00 O ATOM 1519 CB LEU I 11 55.195 6.566 -5.461 1.00 0.00 C ATOM 1520 CG LEU I 11 56.667 6.805 -5.115 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.014 6.019 -3.849 1.00 0.00 C ATOM 1522 CD2 LEU I 11 57.560 6.330 -6.265 1.00 0.00 C ATOM 0 H LEU I 11 53.690 8.399 -5.186 1.00 0.00 H new ATOM 0 HA LEU I 11 55.674 7.751 -7.235 1.00 0.00 H new ATOM 0 HB2 LEU I 11 54.565 6.846 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU I 11 55.025 5.505 -5.647 1.00 0.00 H new ATOM 0 HG LEU I 11 56.832 7.870 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU I 11 58.061 6.183 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU I 11 56.383 6.357 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU I 11 56.845 4.956 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU I 11 58.605 6.504 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.400 5.265 -6.434 1.00 0.00 H new ATOM 0 HD23 LEU I 11 57.311 6.882 -7.171 1.00 0.00 H new ATOM 1534 N LEU I 12 54.525 6.309 -8.857 1.00 0.00 N ATOM 1535 CA LEU I 12 53.807 5.477 -9.869 1.00 0.00 C ATOM 1536 C LEU I 12 52.303 5.763 -9.819 1.00 0.00 C ATOM 1537 O LEU I 12 51.507 4.896 -9.518 1.00 0.00 O ATOM 1538 CB LEU I 12 54.080 4.016 -9.485 1.00 0.00 C ATOM 1539 CG LEU I 12 55.516 3.838 -8.963 1.00 0.00 C ATOM 1540 CD1 LEU I 12 56.489 4.738 -9.734 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.566 4.191 -7.476 1.00 0.00 C ATOM 0 H LEU I 12 55.422 6.683 -9.166 1.00 0.00 H new ATOM 0 HA LEU I 12 54.148 5.696 -10.881 1.00 0.00 H new ATOM 0 HB2 LEU I 12 53.370 3.699 -8.721 1.00 0.00 H new ATOM 0 HB3 LEU I 12 53.923 3.374 -10.352 1.00 0.00 H new ATOM 0 HG LEU I 12 55.812 2.799 -9.108 1.00 0.00 H new ATOM 0 HD11 LEU I 12 57.499 4.596 -9.349 1.00 0.00 H new ATOM 0 HD12 LEU I 12 56.465 4.478 -10.792 1.00 0.00 H new ATOM 0 HD13 LEU I 12 56.196 5.781 -9.610 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.584 4.065 -7.106 1.00 0.00 H new ATOM 0 HD22 LEU I 12 55.255 5.226 -7.337 1.00 0.00 H new ATOM 0 HD23 LEU I 12 54.895 3.534 -6.923 1.00 0.00 H new