USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 491 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 NoAdj-H: A 203 HIS HE2 : A 203 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 209 HIS HD1 : A 209 HIS ND1 : A 301 ZNZN :(H bumps) USER MOD Single : A 168 SER OG : rot -33:sc= 0.0359 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc= -0.055 X(o=-0.055,f=-0.06) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 177 ASN : amide:sc= 0.232 K(o=0.23,f=-3.5!) USER MOD Single : A 180 MET CE :methyl 160:sc= 0 (180deg=-0.0208) USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 SER OG : rot 180:sc= 0 USER MOD Single : A 191 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 ASN : amide:sc= 0.77 K(o=0.77,f=-0.0028) USER MOD Single : A 199 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 201 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 202 GLN : amide:sc= -0.0986 X(o=-0.099,f=-0.099) USER MOD Single : A 204 TYR OH : rot -12:sc= 0.0337 USER MOD Single : A 207 LYS NZ :NH3+ -126:sc= -0.0152 (180deg=-1.05) USER MOD Single : A 208 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0957) USER MOD Single : A 211 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 GLN : amide:sc= -0.423 K(o=-0.42,f=-2.2) USER MOD Single : A 214 THR OG1 : rot 5:sc= 0.352 USER MOD Single : A 215 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0347) USER MOD Single : A 217 LYS NZ :NH3+ 171:sc= 0.00305 (180deg=0.000697) USER MOD Single : A 219 MET CE :methyl 171:sc= 0 (180deg=-0.096) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 0.543 2.144 -24.404 1.00 0.00 N ATOM 2 CA SER A 168 1.966 2.153 -24.029 1.00 0.00 C ATOM 3 C SER A 168 2.360 1.064 -23.013 1.00 0.00 C ATOM 4 O SER A 168 3.544 0.895 -22.706 1.00 0.00 O ATOM 5 CB SER A 168 2.362 3.541 -23.503 1.00 0.00 C ATOM 6 OG SER A 168 1.617 3.892 -22.344 1.00 0.00 O ATOM 0 HA SER A 168 2.519 1.921 -24.939 1.00 0.00 H new ATOM 0 HB2 SER A 168 3.427 3.552 -23.270 1.00 0.00 H new ATOM 0 HB3 SER A 168 2.198 4.286 -24.281 1.00 0.00 H new ATOM 0 HG SER A 168 0.715 3.514 -22.408 1.00 0.00 H new ATOM 12 N THR A 169 1.383 0.309 -22.500 1.00 0.00 N ATOM 13 CA THR A 169 1.556 -0.784 -21.524 1.00 0.00 C ATOM 14 C THR A 169 0.420 -1.821 -21.625 1.00 0.00 C ATOM 15 O THR A 169 -0.507 -1.661 -22.427 1.00 0.00 O ATOM 16 CB THR A 169 1.701 -0.202 -20.102 1.00 0.00 C ATOM 17 OG1 THR A 169 2.179 -1.195 -19.218 1.00 0.00 O ATOM 18 CG2 THR A 169 0.408 0.374 -19.519 1.00 0.00 C ATOM 0 H THR A 169 0.407 0.445 -22.762 1.00 0.00 H new ATOM 0 HA THR A 169 2.475 -1.322 -21.759 1.00 0.00 H new ATOM 0 HB THR A 169 2.405 0.624 -20.202 1.00 0.00 H new ATOM 0 HG1 THR A 169 2.270 -0.816 -18.319 1.00 0.00 H new ATOM 0 HG21 THR A 169 0.601 0.761 -18.518 1.00 0.00 H new ATOM 0 HG22 THR A 169 0.049 1.181 -20.157 1.00 0.00 H new ATOM 0 HG23 THR A 169 -0.348 -0.410 -19.466 1.00 0.00 H new ATOM 26 N LYS A 170 0.478 -2.886 -20.816 1.00 0.00 N ATOM 27 CA LYS A 170 -0.497 -3.992 -20.750 1.00 0.00 C ATOM 28 C LYS A 170 -0.615 -4.534 -19.317 1.00 0.00 C ATOM 29 O LYS A 170 0.367 -4.548 -18.572 1.00 0.00 O ATOM 30 CB LYS A 170 -0.048 -5.090 -21.735 1.00 0.00 C ATOM 31 CG LYS A 170 -1.040 -6.260 -21.853 1.00 0.00 C ATOM 32 CD LYS A 170 -0.575 -7.275 -22.905 1.00 0.00 C ATOM 33 CE LYS A 170 -1.557 -8.449 -22.974 1.00 0.00 C ATOM 34 NZ LYS A 170 -1.116 -9.456 -23.962 1.00 0.00 N ATOM 0 H LYS A 170 1.244 -3.010 -20.154 1.00 0.00 H new ATOM 0 HA LYS A 170 -1.488 -3.635 -21.032 1.00 0.00 H new ATOM 0 HB2 LYS A 170 0.094 -4.646 -22.720 1.00 0.00 H new ATOM 0 HB3 LYS A 170 0.920 -5.477 -21.417 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -1.141 -6.754 -20.887 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -2.026 -5.879 -22.121 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -0.503 -6.793 -23.880 1.00 0.00 H new ATOM 0 HD3 LYS A 170 0.422 -7.639 -22.655 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -1.643 -8.913 -21.991 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -2.548 -8.083 -23.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -1.799 -10.240 -23.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -1.057 -9.017 -24.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -0.181 -9.821 -23.691 1.00 0.00 H new ATOM 48 N VAL A 171 -1.809 -5.002 -18.944 1.00 0.00 N ATOM 49 CA VAL A 171 -2.115 -5.594 -17.627 1.00 0.00 C ATOM 50 C VAL A 171 -3.197 -6.676 -17.757 1.00 0.00 C ATOM 51 O VAL A 171 -4.133 -6.542 -18.547 1.00 0.00 O ATOM 52 CB VAL A 171 -2.510 -4.490 -16.618 1.00 0.00 C ATOM 53 CG1 VAL A 171 -3.797 -3.734 -16.981 1.00 0.00 C ATOM 54 CG2 VAL A 171 -2.645 -5.033 -15.191 1.00 0.00 C ATOM 0 H VAL A 171 -2.618 -4.982 -19.565 1.00 0.00 H new ATOM 0 HA VAL A 171 -1.220 -6.082 -17.241 1.00 0.00 H new ATOM 0 HB VAL A 171 -1.684 -3.781 -16.670 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.002 -2.979 -16.222 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.674 -3.251 -17.950 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.630 -4.435 -17.028 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -2.923 -4.222 -14.518 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -3.414 -5.805 -15.167 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -1.694 -5.459 -14.872 1.00 0.00 H new ATOM 64 N GLU A 172 -3.074 -7.760 -16.989 1.00 0.00 N ATOM 65 CA GLU A 172 -4.043 -8.865 -16.975 1.00 0.00 C ATOM 66 C GLU A 172 -5.280 -8.482 -16.136 1.00 0.00 C ATOM 67 O GLU A 172 -5.165 -8.190 -14.942 1.00 0.00 O ATOM 68 CB GLU A 172 -3.357 -10.133 -16.436 1.00 0.00 C ATOM 69 CG GLU A 172 -4.257 -11.372 -16.539 1.00 0.00 C ATOM 70 CD GLU A 172 -3.511 -12.635 -16.089 1.00 0.00 C ATOM 71 OE1 GLU A 172 -3.559 -12.949 -14.874 1.00 0.00 O ATOM 72 OE2 GLU A 172 -2.887 -13.293 -16.957 1.00 0.00 O ATOM 0 H GLU A 172 -2.291 -7.900 -16.351 1.00 0.00 H new ATOM 0 HA GLU A 172 -4.390 -9.067 -17.988 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -2.436 -10.309 -16.992 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -3.076 -9.976 -15.394 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -5.146 -11.232 -15.924 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -4.597 -11.494 -17.567 1.00 0.00 H new ATOM 79 N ALA A 173 -6.463 -8.480 -16.759 1.00 0.00 N ATOM 80 CA ALA A 173 -7.740 -8.129 -16.128 1.00 0.00 C ATOM 81 C ALA A 173 -8.941 -8.847 -16.784 1.00 0.00 C ATOM 82 O ALA A 173 -8.822 -9.437 -17.862 1.00 0.00 O ATOM 83 CB ALA A 173 -7.905 -6.602 -16.200 1.00 0.00 C ATOM 0 H ALA A 173 -6.562 -8.729 -17.743 1.00 0.00 H new ATOM 0 HA ALA A 173 -7.724 -8.462 -15.090 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -8.849 -6.316 -15.736 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -7.081 -6.122 -15.672 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -7.902 -6.284 -17.243 1.00 0.00 H new ATOM 89 N LEU A 174 -10.101 -8.787 -16.116 1.00 0.00 N ATOM 90 CA LEU A 174 -11.369 -9.410 -16.540 1.00 0.00 C ATOM 91 C LEU A 174 -12.622 -8.555 -16.230 1.00 0.00 C ATOM 92 O LEU A 174 -13.743 -9.070 -16.208 1.00 0.00 O ATOM 93 CB LEU A 174 -11.455 -10.842 -15.955 1.00 0.00 C ATOM 94 CG LEU A 174 -11.824 -10.998 -14.460 1.00 0.00 C ATOM 95 CD1 LEU A 174 -11.870 -12.488 -14.110 1.00 0.00 C ATOM 96 CD2 LEU A 174 -10.842 -10.324 -13.496 1.00 0.00 C ATOM 0 H LEU A 174 -10.189 -8.285 -15.232 1.00 0.00 H new ATOM 0 HA LEU A 174 -11.363 -9.473 -17.628 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -12.189 -11.397 -16.539 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -10.491 -11.325 -16.113 1.00 0.00 H new ATOM 0 HG LEU A 174 -12.789 -10.507 -14.337 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -12.129 -12.607 -13.058 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -12.620 -12.984 -14.727 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -10.894 -12.936 -14.296 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -11.174 -10.481 -12.470 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -9.850 -10.756 -13.627 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -10.803 -9.255 -13.705 1.00 0.00 H new ATOM 108 N HIS A 175 -12.440 -7.255 -15.964 1.00 0.00 N ATOM 109 CA HIS A 175 -13.508 -6.307 -15.603 1.00 0.00 C ATOM 110 C HIS A 175 -14.647 -6.247 -16.638 1.00 0.00 C ATOM 111 O HIS A 175 -14.402 -6.150 -17.842 1.00 0.00 O ATOM 112 CB HIS A 175 -12.899 -4.907 -15.394 1.00 0.00 C ATOM 113 CG HIS A 175 -11.743 -4.862 -14.422 1.00 0.00 C ATOM 114 ND1 HIS A 175 -10.514 -4.273 -14.655 1.00 0.00 N ATOM 115 CD2 HIS A 175 -11.723 -5.374 -13.152 1.00 0.00 C ATOM 116 CE1 HIS A 175 -9.759 -4.424 -13.550 1.00 0.00 C ATOM 117 NE2 HIS A 175 -10.475 -5.096 -12.627 1.00 0.00 N ATOM 0 H HIS A 175 -11.519 -6.818 -15.994 1.00 0.00 H new ATOM 0 HA HIS A 175 -13.959 -6.667 -14.678 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -12.562 -4.525 -16.357 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -13.680 -4.235 -15.040 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -12.528 -5.895 -12.656 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -8.748 -4.066 -13.424 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -10.150 -5.356 -11.696 1.00 0.00 H new ATOM 126 N GLN A 176 -15.895 -6.253 -16.157 1.00 0.00 N ATOM 127 CA GLN A 176 -17.108 -6.148 -16.991 1.00 0.00 C ATOM 128 C GLN A 176 -17.395 -4.702 -17.463 1.00 0.00 C ATOM 129 O GLN A 176 -18.205 -4.490 -18.369 1.00 0.00 O ATOM 130 CB GLN A 176 -18.313 -6.720 -16.221 1.00 0.00 C ATOM 131 CG GLN A 176 -18.153 -8.224 -15.926 1.00 0.00 C ATOM 132 CD GLN A 176 -19.384 -8.849 -15.264 1.00 0.00 C ATOM 133 OE1 GLN A 176 -20.186 -8.203 -14.599 1.00 0.00 O ATOM 134 NE2 GLN A 176 -19.586 -10.143 -15.415 1.00 0.00 N ATOM 0 H GLN A 176 -16.099 -6.332 -15.161 1.00 0.00 H new ATOM 0 HA GLN A 176 -16.935 -6.732 -17.895 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -18.433 -6.178 -15.283 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -19.222 -6.560 -16.801 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -17.945 -8.749 -16.858 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -17.288 -8.370 -15.278 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -18.932 -10.701 -15.964 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -20.396 -10.587 -14.983 1.00 0.00 H new ATOM 143 N ASN A 177 -16.724 -3.711 -16.861 1.00 0.00 N ATOM 144 CA ASN A 177 -16.793 -2.284 -17.199 1.00 0.00 C ATOM 145 C ASN A 177 -16.027 -1.982 -18.521 1.00 0.00 C ATOM 146 O ASN A 177 -15.576 -2.897 -19.215 1.00 0.00 O ATOM 147 CB ASN A 177 -16.242 -1.518 -15.968 1.00 0.00 C ATOM 148 CG ASN A 177 -16.580 -0.033 -15.914 1.00 0.00 C ATOM 149 OD1 ASN A 177 -17.300 0.509 -16.739 1.00 0.00 O ATOM 150 ND2 ASN A 177 -16.056 0.681 -14.946 1.00 0.00 N ATOM 0 H ASN A 177 -16.086 -3.893 -16.086 1.00 0.00 H new ATOM 0 HA ASN A 177 -17.814 -1.959 -17.399 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -16.625 -1.993 -15.065 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -15.158 -1.627 -15.950 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -16.251 1.680 -14.886 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -15.454 0.237 -14.253 1.00 0.00 H new ATOM 157 N ARG A 178 -15.857 -0.699 -18.874 1.00 0.00 N ATOM 158 CA ARG A 178 -15.148 -0.200 -20.076 1.00 0.00 C ATOM 159 C ARG A 178 -13.717 -0.741 -20.272 1.00 0.00 C ATOM 160 O ARG A 178 -13.234 -0.765 -21.403 1.00 0.00 O ATOM 161 CB ARG A 178 -15.134 1.340 -20.050 1.00 0.00 C ATOM 162 CG ARG A 178 -16.542 1.953 -20.176 1.00 0.00 C ATOM 163 CD ARG A 178 -16.514 3.487 -20.122 1.00 0.00 C ATOM 164 NE ARG A 178 -16.090 3.994 -18.801 1.00 0.00 N ATOM 165 CZ ARG A 178 -16.862 4.200 -17.744 1.00 0.00 C ATOM 166 NH1 ARG A 178 -18.149 3.968 -17.745 1.00 0.00 N ATOM 167 NH2 ARG A 178 -16.345 4.660 -16.636 1.00 0.00 N ATOM 0 H ARG A 178 -16.227 0.062 -18.304 1.00 0.00 H new ATOM 0 HA ARG A 178 -15.707 -0.581 -20.931 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -14.677 1.679 -19.120 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -14.509 1.707 -20.864 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -16.993 1.632 -21.115 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -17.174 1.574 -19.373 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -15.835 3.863 -20.888 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -17.505 3.875 -20.356 1.00 0.00 H new ATOM 0 HE ARG A 178 -15.099 4.208 -18.691 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -18.602 3.612 -18.586 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -18.699 4.143 -16.904 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -15.346 4.861 -16.584 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -16.940 4.818 -15.823 1.00 0.00 H new ATOM 181 N GLU A 179 -13.065 -1.201 -19.198 1.00 0.00 N ATOM 182 CA GLU A 179 -11.709 -1.785 -19.182 1.00 0.00 C ATOM 183 C GLU A 179 -10.621 -0.842 -19.772 1.00 0.00 C ATOM 184 O GLU A 179 -10.759 0.384 -19.714 1.00 0.00 O ATOM 185 CB GLU A 179 -11.769 -3.215 -19.783 1.00 0.00 C ATOM 186 CG GLU A 179 -10.738 -4.188 -19.181 1.00 0.00 C ATOM 187 CD GLU A 179 -10.959 -5.637 -19.647 1.00 0.00 C ATOM 188 OE1 GLU A 179 -10.971 -5.867 -20.881 1.00 0.00 O ATOM 189 OE2 GLU A 179 -11.078 -6.521 -18.765 1.00 0.00 O ATOM 0 H GLU A 179 -13.485 -1.177 -18.269 1.00 0.00 H new ATOM 0 HA GLU A 179 -11.367 -1.891 -18.152 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -12.769 -3.621 -19.631 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -11.610 -3.153 -20.860 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -9.734 -3.868 -19.460 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -10.795 -4.146 -18.093 1.00 0.00 H new ATOM 196 N MET A 180 -9.510 -1.392 -20.280 1.00 0.00 N ATOM 197 CA MET A 180 -8.365 -0.653 -20.842 1.00 0.00 C ATOM 198 C MET A 180 -8.710 0.112 -22.144 1.00 0.00 C ATOM 199 O MET A 180 -9.802 -0.047 -22.698 1.00 0.00 O ATOM 200 CB MET A 180 -7.202 -1.650 -21.036 1.00 0.00 C ATOM 201 CG MET A 180 -5.823 -1.002 -20.862 1.00 0.00 C ATOM 202 SD MET A 180 -4.452 -2.187 -20.788 1.00 0.00 S ATOM 203 CE MET A 180 -3.119 -1.046 -20.329 1.00 0.00 C ATOM 0 H MET A 180 -9.376 -2.403 -20.313 1.00 0.00 H new ATOM 0 HA MET A 180 -8.070 0.129 -20.142 1.00 0.00 H new ATOM 0 HB2 MET A 180 -7.307 -2.466 -20.321 1.00 0.00 H new ATOM 0 HB3 MET A 180 -7.269 -2.088 -22.032 1.00 0.00 H new ATOM 0 HG2 MET A 180 -5.650 -0.314 -21.689 1.00 0.00 H new ATOM 0 HG3 MET A 180 -5.825 -0.408 -19.948 1.00 0.00 H new ATOM 0 HE1 MET A 180 -2.292 -1.608 -19.895 1.00 0.00 H new ATOM 0 HE2 MET A 180 -2.772 -0.516 -21.216 1.00 0.00 H new ATOM 0 HE3 MET A 180 -3.491 -0.327 -19.599 1.00 0.00 H new ATOM 213 N ILE A 181 -7.779 0.947 -22.634 1.00 0.00 N ATOM 214 CA ILE A 181 -7.922 1.774 -23.851 1.00 0.00 C ATOM 215 C ILE A 181 -8.520 1.000 -25.045 1.00 0.00 C ATOM 216 O ILE A 181 -8.138 -0.135 -25.334 1.00 0.00 O ATOM 217 CB ILE A 181 -6.584 2.481 -24.183 1.00 0.00 C ATOM 218 CG1 ILE A 181 -6.706 3.577 -25.266 1.00 0.00 C ATOM 219 CG2 ILE A 181 -5.478 1.496 -24.603 1.00 0.00 C ATOM 220 CD1 ILE A 181 -7.658 4.722 -24.901 1.00 0.00 C ATOM 0 H ILE A 181 -6.874 1.072 -22.181 1.00 0.00 H new ATOM 0 HA ILE A 181 -8.658 2.550 -23.640 1.00 0.00 H new ATOM 0 HB ILE A 181 -6.307 2.960 -23.244 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -5.717 3.991 -25.460 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -7.047 3.118 -26.194 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -4.564 2.048 -24.823 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -5.290 0.792 -23.792 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -5.795 0.950 -25.491 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -7.685 5.447 -25.715 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -8.659 4.324 -24.736 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -7.308 5.211 -23.992 1.00 0.00 H new ATOM 232 N ASP A 182 -9.494 1.617 -25.716 1.00 0.00 N ATOM 233 CA ASP A 182 -10.313 1.030 -26.785 1.00 0.00 C ATOM 234 C ASP A 182 -10.292 1.842 -28.102 1.00 0.00 C ATOM 235 O ASP A 182 -11.284 2.489 -28.455 1.00 0.00 O ATOM 236 CB ASP A 182 -11.731 0.793 -26.218 1.00 0.00 C ATOM 237 CG ASP A 182 -12.535 2.065 -25.892 1.00 0.00 C ATOM 238 OD1 ASP A 182 -11.992 2.962 -25.201 1.00 0.00 O ATOM 239 OD2 ASP A 182 -13.718 2.133 -26.306 1.00 0.00 O ATOM 0 H ASP A 182 -9.748 2.586 -25.522 1.00 0.00 H new ATOM 0 HA ASP A 182 -9.884 0.075 -27.087 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -12.297 0.201 -26.937 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -11.645 0.196 -25.310 1.00 0.00 H new ATOM 244 N PRO A 183 -9.167 1.837 -28.844 1.00 0.00 N ATOM 245 CA PRO A 183 -9.044 2.559 -30.109 1.00 0.00 C ATOM 246 C PRO A 183 -9.788 1.846 -31.253 1.00 0.00 C ATOM 247 O PRO A 183 -10.017 0.634 -31.217 1.00 0.00 O ATOM 248 CB PRO A 183 -7.537 2.603 -30.383 1.00 0.00 C ATOM 249 CG PRO A 183 -7.032 1.296 -29.773 1.00 0.00 C ATOM 250 CD PRO A 183 -7.932 1.116 -28.550 1.00 0.00 C ATOM 0 HA PRO A 183 -9.489 3.552 -30.049 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -7.323 2.658 -31.450 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -7.069 3.471 -29.919 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -7.126 0.463 -30.469 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -5.980 1.361 -29.494 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -8.132 0.060 -28.366 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -7.454 1.511 -27.654 1.00 0.00 H new ATOM 258 N ASP A 184 -10.118 2.590 -32.311 1.00 0.00 N ATOM 259 CA ASP A 184 -10.710 2.029 -33.532 1.00 0.00 C ATOM 260 C ASP A 184 -9.621 1.290 -34.337 1.00 0.00 C ATOM 261 O ASP A 184 -8.512 1.810 -34.505 1.00 0.00 O ATOM 262 CB ASP A 184 -11.338 3.157 -34.364 1.00 0.00 C ATOM 263 CG ASP A 184 -11.985 2.626 -35.650 1.00 0.00 C ATOM 264 OD1 ASP A 184 -13.154 2.180 -35.581 1.00 0.00 O ATOM 265 OD2 ASP A 184 -11.307 2.662 -36.705 1.00 0.00 O ATOM 0 H ASP A 184 -9.983 3.600 -32.347 1.00 0.00 H new ATOM 0 HA ASP A 184 -11.493 1.316 -33.273 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -12.089 3.674 -33.767 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -10.573 3.890 -34.618 1.00 0.00 H new ATOM 270 N LYS A 185 -9.926 0.090 -34.844 1.00 0.00 N ATOM 271 CA LYS A 185 -9.012 -0.759 -35.621 1.00 0.00 C ATOM 272 C LYS A 185 -9.733 -1.367 -36.826 1.00 0.00 C ATOM 273 O LYS A 185 -10.962 -1.445 -36.852 1.00 0.00 O ATOM 274 CB LYS A 185 -8.443 -1.858 -34.702 1.00 0.00 C ATOM 275 CG LYS A 185 -7.474 -1.380 -33.606 1.00 0.00 C ATOM 276 CD LYS A 185 -6.159 -0.820 -34.167 1.00 0.00 C ATOM 277 CE LYS A 185 -5.223 -0.432 -33.020 1.00 0.00 C ATOM 278 NZ LYS A 185 -3.940 0.093 -33.534 1.00 0.00 N ATOM 0 H LYS A 185 -10.846 -0.332 -34.721 1.00 0.00 H new ATOM 0 HA LYS A 185 -8.190 -0.154 -36.004 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -9.276 -2.373 -34.224 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -7.928 -2.592 -35.321 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -7.963 -0.612 -33.007 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -7.252 -2.212 -32.938 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -5.679 -1.564 -34.803 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -6.362 0.050 -34.792 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -5.703 0.320 -32.394 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -5.037 -1.301 -32.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -3.325 0.348 -32.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -3.473 -0.635 -34.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -4.118 0.936 -34.117 1.00 0.00 H new ATOM 292 N PHE A 186 -8.964 -1.809 -37.817 1.00 0.00 N ATOM 293 CA PHE A 186 -9.466 -2.393 -39.065 1.00 0.00 C ATOM 294 C PHE A 186 -8.514 -3.466 -39.618 1.00 0.00 C ATOM 295 O PHE A 186 -7.299 -3.406 -39.397 1.00 0.00 O ATOM 296 CB PHE A 186 -9.658 -1.248 -40.081 1.00 0.00 C ATOM 297 CG PHE A 186 -10.096 -1.670 -41.475 1.00 0.00 C ATOM 298 CD1 PHE A 186 -11.391 -2.177 -41.685 1.00 0.00 C ATOM 299 CD2 PHE A 186 -9.210 -1.564 -42.566 1.00 0.00 C ATOM 300 CE1 PHE A 186 -11.790 -2.613 -42.961 1.00 0.00 C ATOM 301 CE2 PHE A 186 -9.620 -1.966 -43.851 1.00 0.00 C ATOM 302 CZ PHE A 186 -10.905 -2.502 -44.047 1.00 0.00 C ATOM 0 H PHE A 186 -7.945 -1.771 -37.777 1.00 0.00 H new ATOM 0 HA PHE A 186 -10.415 -2.895 -38.875 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -10.398 -0.553 -39.682 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -8.719 -0.700 -40.165 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -12.085 -2.232 -40.859 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -8.214 -1.173 -42.416 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -12.775 -3.032 -43.106 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -8.946 -1.863 -44.688 1.00 0.00 H new ATOM 0 HZ PHE A 186 -11.211 -2.828 -45.030 1.00 0.00 H new ATOM 312 N CYS A 187 -9.073 -4.425 -40.357 1.00 0.00 N ATOM 313 CA CYS A 187 -8.376 -5.519 -41.024 1.00 0.00 C ATOM 314 C CYS A 187 -8.718 -5.494 -42.527 1.00 0.00 C ATOM 315 O CYS A 187 -9.828 -5.840 -42.947 1.00 0.00 O ATOM 316 CB CYS A 187 -8.752 -6.844 -40.347 1.00 0.00 C ATOM 317 SG CYS A 187 -7.675 -8.165 -40.973 1.00 0.00 S ATOM 0 H CYS A 187 -10.080 -4.459 -40.513 1.00 0.00 H new ATOM 0 HA CYS A 187 -7.295 -5.408 -40.936 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -8.647 -6.756 -39.266 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -9.796 -7.085 -40.548 1.00 0.00 H new ATOM 322 N SER A 188 -7.766 -5.029 -43.344 1.00 0.00 N ATOM 323 CA SER A 188 -7.934 -4.885 -44.799 1.00 0.00 C ATOM 324 C SER A 188 -7.990 -6.220 -45.558 1.00 0.00 C ATOM 325 O SER A 188 -8.515 -6.270 -46.673 1.00 0.00 O ATOM 326 CB SER A 188 -6.807 -4.005 -45.358 1.00 0.00 C ATOM 327 OG SER A 188 -7.140 -3.481 -46.634 1.00 0.00 O ATOM 0 H SER A 188 -6.846 -4.738 -43.012 1.00 0.00 H new ATOM 0 HA SER A 188 -8.905 -4.415 -44.955 1.00 0.00 H new ATOM 0 HB2 SER A 188 -6.608 -3.185 -44.668 1.00 0.00 H new ATOM 0 HB3 SER A 188 -5.890 -4.590 -45.432 1.00 0.00 H new ATOM 0 HG SER A 188 -6.403 -2.924 -46.962 1.00 0.00 H new ATOM 333 N LEU A 189 -7.475 -7.308 -44.973 1.00 0.00 N ATOM 334 CA LEU A 189 -7.475 -8.644 -45.584 1.00 0.00 C ATOM 335 C LEU A 189 -8.805 -9.396 -45.352 1.00 0.00 C ATOM 336 O LEU A 189 -9.125 -10.314 -46.114 1.00 0.00 O ATOM 337 CB LEU A 189 -6.286 -9.476 -45.062 1.00 0.00 C ATOM 338 CG LEU A 189 -4.889 -8.969 -45.485 1.00 0.00 C ATOM 339 CD1 LEU A 189 -4.333 -7.859 -44.587 1.00 0.00 C ATOM 340 CD2 LEU A 189 -3.887 -10.126 -45.447 1.00 0.00 C ATOM 0 H LEU A 189 -7.041 -7.286 -44.050 1.00 0.00 H new ATOM 0 HA LEU A 189 -7.368 -8.505 -46.660 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -6.331 -9.500 -43.973 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -6.402 -10.503 -45.409 1.00 0.00 H new ATOM 0 HG LEU A 189 -5.017 -8.562 -46.488 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -3.350 -7.557 -44.948 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -5.007 -7.002 -44.608 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -4.246 -8.227 -43.565 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.903 -9.765 -45.746 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.834 -10.528 -44.435 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -4.210 -10.909 -46.133 1.00 0.00 H new ATOM 352 N CYS A 190 -9.572 -8.996 -44.330 1.00 0.00 N ATOM 353 CA CYS A 190 -10.836 -9.612 -43.907 1.00 0.00 C ATOM 354 C CYS A 190 -12.059 -8.674 -44.016 1.00 0.00 C ATOM 355 O CYS A 190 -13.197 -9.126 -43.846 1.00 0.00 O ATOM 356 CB CYS A 190 -10.669 -10.069 -42.443 1.00 0.00 C ATOM 357 SG CYS A 190 -9.264 -11.203 -42.204 1.00 0.00 S ATOM 0 H CYS A 190 -9.317 -8.198 -43.749 1.00 0.00 H new ATOM 0 HA CYS A 190 -11.039 -10.445 -44.580 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -10.533 -9.193 -41.809 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -11.585 -10.561 -42.116 1.00 0.00 H new ATOM 362 N HIS A 191 -11.835 -7.377 -44.274 1.00 0.00 N ATOM 363 CA HIS A 191 -12.847 -6.309 -44.318 1.00 0.00 C ATOM 364 C HIS A 191 -13.685 -6.283 -43.023 1.00 0.00 C ATOM 365 O HIS A 191 -14.914 -6.395 -43.039 1.00 0.00 O ATOM 366 CB HIS A 191 -13.649 -6.374 -45.630 1.00 0.00 C ATOM 367 CG HIS A 191 -14.389 -5.094 -45.930 1.00 0.00 C ATOM 368 ND1 HIS A 191 -13.847 -3.963 -46.512 1.00 0.00 N ATOM 369 CD2 HIS A 191 -15.705 -4.833 -45.663 1.00 0.00 C ATOM 370 CE1 HIS A 191 -14.815 -3.031 -46.599 1.00 0.00 C ATOM 371 NE2 HIS A 191 -15.953 -3.540 -46.087 1.00 0.00 N ATOM 0 H HIS A 191 -10.897 -7.026 -44.467 1.00 0.00 H new ATOM 0 HA HIS A 191 -12.358 -5.335 -44.340 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -12.971 -6.597 -46.454 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -14.363 -7.196 -45.573 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -16.415 -5.508 -45.208 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -14.699 -2.039 -47.011 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -16.847 -3.053 -46.023 1.00 0.00 H new ATOM 380 N ALA A 192 -12.988 -6.166 -41.889 1.00 0.00 N ATOM 381 CA ALA A 192 -13.546 -6.180 -40.533 1.00 0.00 C ATOM 382 C ALA A 192 -13.054 -4.976 -39.708 1.00 0.00 C ATOM 383 O ALA A 192 -11.907 -4.553 -39.850 1.00 0.00 O ATOM 384 CB ALA A 192 -13.155 -7.515 -39.879 1.00 0.00 C ATOM 0 H ALA A 192 -11.974 -6.054 -41.891 1.00 0.00 H new ATOM 0 HA ALA A 192 -14.632 -6.092 -40.574 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -13.557 -7.556 -38.867 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -13.562 -8.340 -40.464 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -12.069 -7.598 -39.842 1.00 0.00 H new ATOM 390 N THR A 193 -13.918 -4.433 -38.843 1.00 0.00 N ATOM 391 CA THR A 193 -13.663 -3.241 -38.002 1.00 0.00 C ATOM 392 C THR A 193 -13.880 -3.567 -36.521 1.00 0.00 C ATOM 393 O THR A 193 -14.754 -4.373 -36.187 1.00 0.00 O ATOM 394 CB THR A 193 -14.605 -2.088 -38.414 1.00 0.00 C ATOM 395 OG1 THR A 193 -14.582 -1.876 -39.813 1.00 0.00 O ATOM 396 CG2 THR A 193 -14.267 -0.744 -37.765 1.00 0.00 C ATOM 0 H THR A 193 -14.851 -4.820 -38.698 1.00 0.00 H new ATOM 0 HA THR A 193 -12.627 -2.937 -38.150 1.00 0.00 H new ATOM 0 HB THR A 193 -15.586 -2.414 -38.069 1.00 0.00 H new ATOM 0 HG1 THR A 193 -15.189 -1.142 -40.043 1.00 0.00 H new ATOM 0 HG21 THR A 193 -14.974 0.012 -38.105 1.00 0.00 H new ATOM 0 HG22 THR A 193 -14.330 -0.838 -36.681 1.00 0.00 H new ATOM 0 HG23 THR A 193 -13.256 -0.448 -38.046 1.00 0.00 H new ATOM 404 N PHE A 194 -13.105 -2.944 -35.625 1.00 0.00 N ATOM 405 CA PHE A 194 -13.148 -3.187 -34.175 1.00 0.00 C ATOM 406 C PHE A 194 -13.008 -1.873 -33.391 1.00 0.00 C ATOM 407 O PHE A 194 -12.440 -0.903 -33.896 1.00 0.00 O ATOM 408 CB PHE A 194 -12.023 -4.173 -33.781 1.00 0.00 C ATOM 409 CG PHE A 194 -11.659 -5.195 -34.849 1.00 0.00 C ATOM 410 CD1 PHE A 194 -12.454 -6.340 -35.042 1.00 0.00 C ATOM 411 CD2 PHE A 194 -10.586 -4.938 -35.726 1.00 0.00 C ATOM 412 CE1 PHE A 194 -12.184 -7.212 -36.111 1.00 0.00 C ATOM 413 CE2 PHE A 194 -10.322 -5.803 -36.800 1.00 0.00 C ATOM 414 CZ PHE A 194 -11.122 -6.939 -36.992 1.00 0.00 C ATOM 0 H PHE A 194 -12.415 -2.242 -35.892 1.00 0.00 H new ATOM 0 HA PHE A 194 -14.114 -3.624 -33.923 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -11.131 -3.600 -33.529 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -12.326 -4.705 -32.879 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -13.272 -6.549 -34.368 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -9.963 -4.070 -35.571 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -12.793 -8.092 -36.256 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -9.506 -5.594 -37.476 1.00 0.00 H new ATOM 0 HZ PHE A 194 -10.922 -7.605 -37.818 1.00 0.00 H new ATOM 424 N ASN A 195 -13.505 -1.839 -32.151 1.00 0.00 N ATOM 425 CA ASN A 195 -13.440 -0.661 -31.271 1.00 0.00 C ATOM 426 C ASN A 195 -13.245 -1.064 -29.790 1.00 0.00 C ATOM 427 O ASN A 195 -13.752 -0.416 -28.877 1.00 0.00 O ATOM 428 CB ASN A 195 -14.680 0.225 -31.531 1.00 0.00 C ATOM 429 CG ASN A 195 -14.423 1.703 -31.259 1.00 0.00 C ATOM 430 OD1 ASN A 195 -14.422 2.533 -32.158 1.00 0.00 O ATOM 431 ND2 ASN A 195 -14.186 2.089 -30.028 1.00 0.00 N ATOM 0 H ASN A 195 -13.971 -2.638 -31.721 1.00 0.00 H new ATOM 0 HA ASN A 195 -12.559 -0.064 -31.505 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -14.997 0.102 -32.566 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -15.502 -0.117 -30.903 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -14.003 3.072 -29.828 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -14.184 1.406 -29.271 1.00 0.00 H new ATOM 438 N ASP A 196 -12.516 -2.157 -29.545 1.00 0.00 N ATOM 439 CA ASP A 196 -12.173 -2.696 -28.221 1.00 0.00 C ATOM 440 C ASP A 196 -10.807 -3.408 -28.301 1.00 0.00 C ATOM 441 O ASP A 196 -10.487 -3.978 -29.352 1.00 0.00 O ATOM 442 CB ASP A 196 -13.261 -3.670 -27.737 1.00 0.00 C ATOM 443 CG ASP A 196 -14.518 -2.948 -27.240 1.00 0.00 C ATOM 444 OD1 ASP A 196 -14.445 -2.344 -26.143 1.00 0.00 O ATOM 445 OD2 ASP A 196 -15.558 -3.027 -27.938 1.00 0.00 O ATOM 0 H ASP A 196 -12.128 -2.720 -30.302 1.00 0.00 H new ATOM 0 HA ASP A 196 -12.111 -1.877 -27.504 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -13.530 -4.342 -28.552 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -12.859 -4.288 -26.934 1.00 0.00 H new ATOM 450 N PRO A 197 -9.992 -3.399 -27.225 1.00 0.00 N ATOM 451 CA PRO A 197 -8.650 -3.983 -27.250 1.00 0.00 C ATOM 452 C PRO A 197 -8.660 -5.491 -27.489 1.00 0.00 C ATOM 453 O PRO A 197 -7.970 -6.002 -28.372 1.00 0.00 O ATOM 454 CB PRO A 197 -8.025 -3.659 -25.881 1.00 0.00 C ATOM 455 CG PRO A 197 -9.207 -3.320 -24.972 1.00 0.00 C ATOM 456 CD PRO A 197 -10.274 -2.796 -25.927 1.00 0.00 C ATOM 0 HA PRO A 197 -8.078 -3.565 -28.079 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -7.461 -4.508 -25.494 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -7.331 -2.822 -25.953 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -9.556 -4.198 -24.428 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -8.936 -2.571 -24.228 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -11.272 -3.066 -25.581 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -10.241 -1.708 -25.988 1.00 0.00 H new ATOM 464 N VAL A 198 -9.458 -6.209 -26.698 1.00 0.00 N ATOM 465 CA VAL A 198 -9.562 -7.670 -26.758 1.00 0.00 C ATOM 466 C VAL A 198 -10.215 -8.118 -28.066 1.00 0.00 C ATOM 467 O VAL A 198 -9.748 -9.080 -28.665 1.00 0.00 O ATOM 468 CB VAL A 198 -10.283 -8.200 -25.504 1.00 0.00 C ATOM 469 CG1 VAL A 198 -10.433 -9.726 -25.513 1.00 0.00 C ATOM 470 CG2 VAL A 198 -9.483 -7.810 -24.248 1.00 0.00 C ATOM 0 H VAL A 198 -10.058 -5.789 -25.988 1.00 0.00 H new ATOM 0 HA VAL A 198 -8.563 -8.106 -26.757 1.00 0.00 H new ATOM 0 HB VAL A 198 -11.278 -7.755 -25.500 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -10.948 -10.046 -24.607 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -11.011 -10.030 -26.386 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -9.447 -10.188 -25.553 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -9.993 -8.185 -23.361 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -8.485 -8.244 -24.303 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -9.404 -6.724 -24.189 1.00 0.00 H new ATOM 480 N MET A 199 -11.232 -7.403 -28.565 1.00 0.00 N ATOM 481 CA MET A 199 -11.871 -7.718 -29.853 1.00 0.00 C ATOM 482 C MET A 199 -10.865 -7.627 -31.012 1.00 0.00 C ATOM 483 O MET A 199 -10.771 -8.549 -31.825 1.00 0.00 O ATOM 484 CB MET A 199 -13.060 -6.771 -30.082 1.00 0.00 C ATOM 485 CG MET A 199 -13.879 -7.130 -31.327 1.00 0.00 C ATOM 486 SD MET A 199 -14.677 -8.759 -31.282 1.00 0.00 S ATOM 487 CE MET A 199 -15.422 -8.771 -32.935 1.00 0.00 C ATOM 0 H MET A 199 -11.634 -6.594 -28.092 1.00 0.00 H new ATOM 0 HA MET A 199 -12.235 -8.745 -29.821 1.00 0.00 H new ATOM 0 HB2 MET A 199 -13.710 -6.794 -29.207 1.00 0.00 H new ATOM 0 HB3 MET A 199 -12.691 -5.750 -30.178 1.00 0.00 H new ATOM 0 HG2 MET A 199 -14.648 -6.370 -31.468 1.00 0.00 H new ATOM 0 HG3 MET A 199 -13.225 -7.087 -32.198 1.00 0.00 H new ATOM 0 HE1 MET A 199 -15.959 -9.707 -33.085 1.00 0.00 H new ATOM 0 HE2 MET A 199 -16.116 -7.936 -33.027 1.00 0.00 H new ATOM 0 HE3 MET A 199 -14.639 -8.677 -33.688 1.00 0.00 H new ATOM 497 N ALA A 200 -10.076 -6.545 -31.056 1.00 0.00 N ATOM 498 CA ALA A 200 -9.025 -6.359 -32.055 1.00 0.00 C ATOM 499 C ALA A 200 -7.987 -7.490 -31.981 1.00 0.00 C ATOM 500 O ALA A 200 -7.714 -8.162 -32.978 1.00 0.00 O ATOM 501 CB ALA A 200 -8.349 -5.002 -31.814 1.00 0.00 C ATOM 0 H ALA A 200 -10.153 -5.772 -30.394 1.00 0.00 H new ATOM 0 HA ALA A 200 -9.469 -6.382 -33.050 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -7.562 -4.851 -32.553 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -9.088 -4.206 -31.903 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -7.915 -4.984 -30.814 1.00 0.00 H new ATOM 507 N GLN A 201 -7.426 -7.719 -30.788 1.00 0.00 N ATOM 508 CA GLN A 201 -6.405 -8.743 -30.567 1.00 0.00 C ATOM 509 C GLN A 201 -6.894 -10.162 -30.906 1.00 0.00 C ATOM 510 O GLN A 201 -6.164 -10.918 -31.549 1.00 0.00 O ATOM 511 CB GLN A 201 -5.902 -8.677 -29.116 1.00 0.00 C ATOM 512 CG GLN A 201 -5.019 -7.441 -28.867 1.00 0.00 C ATOM 513 CD GLN A 201 -4.564 -7.301 -27.413 1.00 0.00 C ATOM 514 OE1 GLN A 201 -5.183 -7.776 -26.468 1.00 0.00 O ATOM 515 NE2 GLN A 201 -3.448 -6.644 -27.169 1.00 0.00 N ATOM 0 H GLN A 201 -7.670 -7.196 -29.947 1.00 0.00 H new ATOM 0 HA GLN A 201 -5.583 -8.529 -31.250 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -6.755 -8.656 -28.437 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -5.335 -9.579 -28.888 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -4.141 -7.495 -29.511 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -5.570 -6.546 -29.155 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -2.915 -6.240 -27.939 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -3.117 -6.540 -26.210 1.00 0.00 H new ATOM 524 N GLN A 202 -8.122 -10.524 -30.513 1.00 0.00 N ATOM 525 CA GLN A 202 -8.721 -11.836 -30.789 1.00 0.00 C ATOM 526 C GLN A 202 -8.907 -12.083 -32.291 1.00 0.00 C ATOM 527 O GLN A 202 -8.673 -13.204 -32.748 1.00 0.00 O ATOM 528 CB GLN A 202 -10.065 -11.980 -30.052 1.00 0.00 C ATOM 529 CG GLN A 202 -9.889 -12.266 -28.549 1.00 0.00 C ATOM 530 CD GLN A 202 -9.309 -13.653 -28.269 1.00 0.00 C ATOM 531 OE1 GLN A 202 -9.833 -14.679 -28.686 1.00 0.00 O ATOM 532 NE2 GLN A 202 -8.206 -13.749 -27.555 1.00 0.00 N ATOM 0 H GLN A 202 -8.737 -9.904 -29.986 1.00 0.00 H new ATOM 0 HA GLN A 202 -8.028 -12.591 -30.419 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -10.644 -11.065 -30.179 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -10.640 -12.787 -30.507 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -9.234 -11.510 -28.115 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -10.855 -12.175 -28.052 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -7.754 -12.907 -27.199 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -7.804 -14.666 -27.359 1.00 0.00 H new ATOM 541 N HIS A 203 -9.279 -11.060 -33.072 1.00 0.00 N ATOM 542 CA HIS A 203 -9.422 -11.208 -34.524 1.00 0.00 C ATOM 543 C HIS A 203 -8.089 -11.627 -35.166 1.00 0.00 C ATOM 544 O HIS A 203 -8.026 -12.655 -35.838 1.00 0.00 O ATOM 545 CB HIS A 203 -9.964 -9.919 -35.164 1.00 0.00 C ATOM 546 CG HIS A 203 -10.168 -10.071 -36.656 1.00 0.00 C ATOM 547 ND1 HIS A 203 -11.301 -10.544 -37.283 1.00 0.00 N ATOM 548 CD2 HIS A 203 -9.227 -9.867 -37.634 1.00 0.00 C ATOM 549 CE1 HIS A 203 -11.038 -10.649 -38.599 1.00 0.00 C ATOM 550 NE2 HIS A 203 -9.776 -10.265 -38.859 1.00 0.00 N ATOM 0 H HIS A 203 -9.486 -10.124 -32.723 1.00 0.00 H new ATOM 0 HA HIS A 203 -10.148 -11.999 -34.710 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -10.910 -9.651 -34.694 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -9.270 -9.100 -34.974 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -12.185 -10.774 -36.829 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -8.234 -9.468 -37.485 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -11.742 -10.993 -39.342 1.00 0.00 H new ATOM 558 N TYR A 204 -7.014 -10.867 -34.924 1.00 0.00 N ATOM 559 CA TYR A 204 -5.677 -11.107 -35.488 1.00 0.00 C ATOM 560 C TYR A 204 -5.019 -12.464 -35.145 1.00 0.00 C ATOM 561 O TYR A 204 -4.009 -12.819 -35.760 1.00 0.00 O ATOM 562 CB TYR A 204 -4.753 -9.936 -35.108 1.00 0.00 C ATOM 563 CG TYR A 204 -5.241 -8.550 -35.515 1.00 0.00 C ATOM 564 CD1 TYR A 204 -5.741 -8.320 -36.814 1.00 0.00 C ATOM 565 CD2 TYR A 204 -5.182 -7.481 -34.597 1.00 0.00 C ATOM 566 CE1 TYR A 204 -6.204 -7.043 -37.185 1.00 0.00 C ATOM 567 CE2 TYR A 204 -5.637 -6.199 -34.967 1.00 0.00 C ATOM 568 CZ TYR A 204 -6.152 -5.975 -36.262 1.00 0.00 C ATOM 569 OH TYR A 204 -6.573 -4.729 -36.615 1.00 0.00 O ATOM 0 H TYR A 204 -7.049 -10.048 -34.316 1.00 0.00 H new ATOM 0 HA TYR A 204 -5.825 -11.166 -36.566 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -4.608 -9.947 -34.028 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -3.777 -10.105 -35.562 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -5.769 -9.129 -37.529 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -4.786 -7.645 -33.606 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -6.599 -6.880 -38.177 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -5.591 -5.386 -34.258 1.00 0.00 H new ATOM 0 HH TYR A 204 -6.697 -4.689 -37.586 1.00 0.00 H new ATOM 579 N VAL A 205 -5.572 -13.243 -34.203 1.00 0.00 N ATOM 580 CA VAL A 205 -5.052 -14.570 -33.800 1.00 0.00 C ATOM 581 C VAL A 205 -6.046 -15.722 -34.017 1.00 0.00 C ATOM 582 O VAL A 205 -5.702 -16.881 -33.773 1.00 0.00 O ATOM 583 CB VAL A 205 -4.511 -14.571 -32.353 1.00 0.00 C ATOM 584 CG1 VAL A 205 -3.439 -13.492 -32.146 1.00 0.00 C ATOM 585 CG2 VAL A 205 -5.610 -14.395 -31.298 1.00 0.00 C ATOM 0 H VAL A 205 -6.408 -12.969 -33.687 1.00 0.00 H new ATOM 0 HA VAL A 205 -4.217 -14.758 -34.475 1.00 0.00 H new ATOM 0 HB VAL A 205 -4.067 -15.557 -32.216 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -3.084 -13.525 -31.116 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -2.605 -13.673 -32.824 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -3.866 -12.510 -32.351 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -5.164 -14.404 -30.303 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -6.119 -13.445 -31.458 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -6.328 -15.210 -31.381 1.00 0.00 H new ATOM 595 N GLY A 206 -7.265 -15.438 -34.488 1.00 0.00 N ATOM 596 CA GLY A 206 -8.297 -16.449 -34.741 1.00 0.00 C ATOM 597 C GLY A 206 -8.129 -17.160 -36.088 1.00 0.00 C ATOM 598 O GLY A 206 -7.625 -16.582 -37.056 1.00 0.00 O ATOM 0 H GLY A 206 -7.566 -14.488 -34.707 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -8.275 -17.190 -33.941 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -9.277 -15.974 -34.708 1.00 0.00 H new ATOM 602 N LYS A 207 -8.579 -18.420 -36.175 1.00 0.00 N ATOM 603 CA LYS A 207 -8.501 -19.248 -37.398 1.00 0.00 C ATOM 604 C LYS A 207 -9.136 -18.564 -38.616 1.00 0.00 C ATOM 605 O LYS A 207 -8.584 -18.629 -39.713 1.00 0.00 O ATOM 606 CB LYS A 207 -9.125 -20.628 -37.110 1.00 0.00 C ATOM 607 CG LYS A 207 -8.897 -21.636 -38.252 1.00 0.00 C ATOM 608 CD LYS A 207 -9.588 -22.996 -38.048 1.00 0.00 C ATOM 609 CE LYS A 207 -9.047 -23.827 -36.874 1.00 0.00 C ATOM 610 NZ LYS A 207 -9.665 -23.451 -35.582 1.00 0.00 N ATOM 0 H LYS A 207 -9.014 -18.904 -35.390 1.00 0.00 H new ATOM 0 HA LYS A 207 -7.452 -19.381 -37.663 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -8.702 -21.028 -36.189 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -10.196 -20.510 -36.944 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -9.254 -21.197 -39.184 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -7.826 -21.800 -38.367 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -10.654 -22.826 -37.893 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -9.488 -23.579 -38.963 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -9.230 -24.884 -37.067 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -7.967 -23.697 -36.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -8.919 -23.223 -34.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -10.276 -22.620 -35.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -10.234 -24.245 -35.225 1.00 0.00 H new ATOM 624 N LYS A 208 -10.263 -17.869 -38.417 1.00 0.00 N ATOM 625 CA LYS A 208 -10.994 -17.122 -39.457 1.00 0.00 C ATOM 626 C LYS A 208 -10.114 -16.076 -40.159 1.00 0.00 C ATOM 627 O LYS A 208 -10.104 -16.024 -41.387 1.00 0.00 O ATOM 628 CB LYS A 208 -12.250 -16.499 -38.819 1.00 0.00 C ATOM 629 CG LYS A 208 -13.207 -15.805 -39.802 1.00 0.00 C ATOM 630 CD LYS A 208 -13.774 -16.756 -40.871 1.00 0.00 C ATOM 631 CE LYS A 208 -14.876 -16.094 -41.709 1.00 0.00 C ATOM 632 NZ LYS A 208 -16.107 -15.863 -40.922 1.00 0.00 N ATOM 0 H LYS A 208 -10.708 -17.807 -37.501 1.00 0.00 H new ATOM 0 HA LYS A 208 -11.295 -17.811 -40.246 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -12.798 -17.282 -38.295 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -11.935 -15.773 -38.069 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -14.032 -15.363 -39.244 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -12.681 -14.987 -40.295 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -12.968 -17.084 -41.528 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -14.174 -17.647 -40.387 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -14.512 -15.144 -42.101 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -15.107 -16.725 -42.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -16.881 -15.591 -41.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -16.365 -16.735 -40.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -15.941 -15.101 -40.234 1.00 0.00 H new ATOM 646 N HIS A 209 -9.334 -15.302 -39.397 1.00 0.00 N ATOM 647 CA HIS A 209 -8.390 -14.306 -39.932 1.00 0.00 C ATOM 648 C HIS A 209 -7.301 -14.969 -40.778 1.00 0.00 C ATOM 649 O HIS A 209 -7.074 -14.574 -41.920 1.00 0.00 O ATOM 650 CB HIS A 209 -7.773 -13.509 -38.774 1.00 0.00 C ATOM 651 CG HIS A 209 -6.629 -12.597 -39.165 1.00 0.00 C ATOM 652 ND1 HIS A 209 -6.748 -11.348 -39.781 1.00 0.00 N ATOM 653 CD2 HIS A 209 -5.302 -12.856 -38.957 1.00 0.00 C ATOM 654 CE1 HIS A 209 -5.496 -10.890 -39.938 1.00 0.00 C ATOM 655 NE2 HIS A 209 -4.607 -11.773 -39.450 1.00 0.00 N ATOM 0 H HIS A 209 -9.338 -15.348 -38.378 1.00 0.00 H new ATOM 0 HA HIS A 209 -8.936 -13.624 -40.584 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -8.555 -12.908 -38.309 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -7.418 -14.210 -38.019 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -4.881 -13.737 -38.496 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -5.239 -9.945 -40.393 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -3.593 -11.661 -39.446 1.00 0.00 H new ATOM 663 N ARG A 210 -6.657 -16.024 -40.253 1.00 0.00 N ATOM 664 CA ARG A 210 -5.616 -16.770 -40.985 1.00 0.00 C ATOM 665 C ARG A 210 -6.165 -17.364 -42.291 1.00 0.00 C ATOM 666 O ARG A 210 -5.518 -17.249 -43.332 1.00 0.00 O ATOM 667 CB ARG A 210 -4.964 -17.844 -40.090 1.00 0.00 C ATOM 668 CG ARG A 210 -3.952 -17.279 -39.072 1.00 0.00 C ATOM 669 CD ARG A 210 -4.584 -16.675 -37.807 1.00 0.00 C ATOM 670 NE ARG A 210 -3.582 -16.019 -36.945 1.00 0.00 N ATOM 671 CZ ARG A 210 -2.757 -16.604 -36.092 1.00 0.00 C ATOM 672 NH1 ARG A 210 -2.730 -17.897 -35.897 1.00 0.00 N ATOM 673 NH2 ARG A 210 -1.922 -15.879 -35.399 1.00 0.00 N ATOM 0 H ARG A 210 -6.840 -16.383 -39.316 1.00 0.00 H new ATOM 0 HA ARG A 210 -4.833 -16.064 -41.262 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -5.747 -18.378 -39.551 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -4.459 -18.573 -40.723 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -3.271 -18.077 -38.776 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -3.352 -16.513 -39.563 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -5.346 -15.950 -38.094 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -5.088 -17.460 -37.244 1.00 0.00 H new ATOM 0 HE ARG A 210 -3.518 -15.003 -37.014 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -3.365 -18.504 -36.415 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -2.074 -18.298 -35.227 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -1.907 -14.866 -35.516 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -1.284 -16.325 -34.740 1.00 0.00 H new ATOM 687 N LYS A 211 -7.372 -17.943 -42.252 1.00 0.00 N ATOM 688 CA LYS A 211 -8.079 -18.517 -43.412 1.00 0.00 C ATOM 689 C LYS A 211 -8.415 -17.460 -44.472 1.00 0.00 C ATOM 690 O LYS A 211 -8.137 -17.669 -45.653 1.00 0.00 O ATOM 691 CB LYS A 211 -9.332 -19.254 -42.906 1.00 0.00 C ATOM 692 CG LYS A 211 -10.044 -20.049 -44.013 1.00 0.00 C ATOM 693 CD LYS A 211 -11.309 -20.766 -43.508 1.00 0.00 C ATOM 694 CE LYS A 211 -11.063 -21.782 -42.381 1.00 0.00 C ATOM 695 NZ LYS A 211 -10.189 -22.892 -42.818 1.00 0.00 N ATOM 0 H LYS A 211 -7.903 -18.029 -41.386 1.00 0.00 H new ATOM 0 HA LYS A 211 -7.423 -19.227 -43.915 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -9.048 -19.933 -42.102 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -10.027 -18.530 -42.481 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -10.314 -19.373 -44.824 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -9.355 -20.785 -44.427 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -12.019 -20.017 -43.156 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -11.778 -21.280 -44.347 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -10.608 -21.276 -41.529 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -12.017 -22.184 -42.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -10.048 -23.554 -42.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -10.634 -23.392 -43.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -9.269 -22.512 -43.119 1.00 0.00 H new ATOM 709 N GLN A 212 -8.982 -16.316 -44.078 1.00 0.00 N ATOM 710 CA GLN A 212 -9.291 -15.224 -45.012 1.00 0.00 C ATOM 711 C GLN A 212 -8.016 -14.593 -45.594 1.00 0.00 C ATOM 712 O GLN A 212 -7.980 -14.291 -46.786 1.00 0.00 O ATOM 713 CB GLN A 212 -10.172 -14.159 -44.344 1.00 0.00 C ATOM 714 CG GLN A 212 -11.634 -14.607 -44.206 1.00 0.00 C ATOM 715 CD GLN A 212 -12.532 -13.474 -43.704 1.00 0.00 C ATOM 716 OE1 GLN A 212 -12.959 -13.436 -42.558 1.00 0.00 O ATOM 717 NE2 GLN A 212 -12.900 -12.534 -44.552 1.00 0.00 N ATOM 0 H GLN A 212 -9.239 -16.119 -43.111 1.00 0.00 H new ATOM 0 HA GLN A 212 -9.850 -15.657 -45.842 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -9.772 -13.928 -43.357 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -10.131 -13.240 -44.928 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -11.999 -14.959 -45.171 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -11.692 -15.449 -43.517 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -12.554 -12.549 -45.512 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -13.530 -11.792 -44.249 1.00 0.00 H new ATOM 726 N GLU A 213 -6.952 -14.444 -44.799 1.00 0.00 N ATOM 727 CA GLU A 213 -5.650 -13.939 -45.251 1.00 0.00 C ATOM 728 C GLU A 213 -5.079 -14.824 -46.372 1.00 0.00 C ATOM 729 O GLU A 213 -4.706 -14.304 -47.428 1.00 0.00 O ATOM 730 CB GLU A 213 -4.718 -13.810 -44.030 1.00 0.00 C ATOM 731 CG GLU A 213 -3.238 -13.531 -44.338 1.00 0.00 C ATOM 732 CD GLU A 213 -2.393 -14.813 -44.291 1.00 0.00 C ATOM 733 OE1 GLU A 213 -2.111 -15.291 -43.167 1.00 0.00 O ATOM 734 OE2 GLU A 213 -2.010 -15.305 -45.377 1.00 0.00 O ATOM 0 H GLU A 213 -6.971 -14.675 -43.806 1.00 0.00 H new ATOM 0 HA GLU A 213 -5.755 -12.948 -45.691 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -5.094 -13.008 -43.394 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -4.781 -14.731 -43.451 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -3.152 -13.075 -45.324 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -2.847 -12.811 -43.619 1.00 0.00 H new ATOM 741 N THR A 214 -5.065 -16.153 -46.200 1.00 0.00 N ATOM 742 CA THR A 214 -4.605 -17.066 -47.262 1.00 0.00 C ATOM 743 C THR A 214 -5.538 -17.044 -48.477 1.00 0.00 C ATOM 744 O THR A 214 -5.050 -17.085 -49.609 1.00 0.00 O ATOM 745 CB THR A 214 -4.391 -18.510 -46.773 1.00 0.00 C ATOM 746 OG1 THR A 214 -5.503 -19.028 -46.073 1.00 0.00 O ATOM 747 CG2 THR A 214 -3.193 -18.599 -45.826 1.00 0.00 C ATOM 0 H THR A 214 -5.364 -16.620 -45.344 1.00 0.00 H new ATOM 0 HA THR A 214 -3.630 -16.687 -47.568 1.00 0.00 H new ATOM 0 HB THR A 214 -4.228 -19.093 -47.679 1.00 0.00 H new ATOM 0 HG1 THR A 214 -6.238 -18.381 -46.102 1.00 0.00 H new ATOM 0 HG21 THR A 214 -3.066 -19.630 -45.496 1.00 0.00 H new ATOM 0 HG22 THR A 214 -2.293 -18.270 -46.346 1.00 0.00 H new ATOM 0 HG23 THR A 214 -3.366 -17.960 -44.960 1.00 0.00 H new ATOM 755 N LYS A 215 -6.864 -16.917 -48.285 1.00 0.00 N ATOM 756 CA LYS A 215 -7.832 -16.810 -49.394 1.00 0.00 C ATOM 757 C LYS A 215 -7.614 -15.543 -50.224 1.00 0.00 C ATOM 758 O LYS A 215 -7.637 -15.616 -51.451 1.00 0.00 O ATOM 759 CB LYS A 215 -9.283 -16.880 -48.871 1.00 0.00 C ATOM 760 CG LYS A 215 -9.983 -18.204 -49.212 1.00 0.00 C ATOM 761 CD LYS A 215 -10.306 -18.326 -50.714 1.00 0.00 C ATOM 762 CE LYS A 215 -11.020 -19.641 -51.049 1.00 0.00 C ATOM 763 NZ LYS A 215 -12.384 -19.692 -50.478 1.00 0.00 N ATOM 0 H LYS A 215 -7.294 -16.886 -47.361 1.00 0.00 H new ATOM 0 HA LYS A 215 -7.662 -17.663 -50.052 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -9.280 -16.746 -47.789 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -9.855 -16.054 -49.293 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -9.347 -19.036 -48.911 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -10.906 -18.283 -48.637 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -10.932 -17.487 -51.018 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -9.382 -18.260 -51.289 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -11.075 -19.758 -52.131 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -10.436 -20.478 -50.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -12.868 -20.550 -50.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -12.325 -19.709 -49.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -12.919 -18.853 -50.781 1.00 0.00 H new ATOM 777 N LEU A 216 -7.367 -14.398 -49.584 1.00 0.00 N ATOM 778 CA LEU A 216 -7.092 -13.129 -50.267 1.00 0.00 C ATOM 779 C LEU A 216 -5.796 -13.217 -51.089 1.00 0.00 C ATOM 780 O LEU A 216 -5.782 -12.808 -52.251 1.00 0.00 O ATOM 781 CB LEU A 216 -7.045 -11.989 -49.235 1.00 0.00 C ATOM 782 CG LEU A 216 -6.922 -10.599 -49.902 1.00 0.00 C ATOM 783 CD1 LEU A 216 -8.169 -9.748 -49.665 1.00 0.00 C ATOM 784 CD2 LEU A 216 -5.705 -9.848 -49.366 1.00 0.00 C ATOM 0 H LEU A 216 -7.352 -14.323 -48.567 1.00 0.00 H new ATOM 0 HA LEU A 216 -7.896 -12.917 -50.972 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -7.947 -12.018 -48.624 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -6.200 -12.144 -48.564 1.00 0.00 H new ATOM 0 HG LEU A 216 -6.809 -10.770 -50.973 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -8.045 -8.779 -50.148 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -9.039 -10.254 -50.083 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -8.313 -9.604 -48.594 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -5.638 -8.873 -49.849 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -5.806 -9.714 -48.289 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -4.802 -10.421 -49.577 1.00 0.00 H new ATOM 796 N LYS A 217 -4.722 -13.792 -50.527 1.00 0.00 N ATOM 797 CA LYS A 217 -3.454 -13.999 -51.252 1.00 0.00 C ATOM 798 C LYS A 217 -3.650 -14.924 -52.457 1.00 0.00 C ATOM 799 O LYS A 217 -3.199 -14.599 -53.554 1.00 0.00 O ATOM 800 CB LYS A 217 -2.371 -14.533 -50.302 1.00 0.00 C ATOM 801 CG LYS A 217 -1.914 -13.452 -49.311 1.00 0.00 C ATOM 802 CD LYS A 217 -0.850 -14.003 -48.357 1.00 0.00 C ATOM 803 CE LYS A 217 -0.485 -12.947 -47.311 1.00 0.00 C ATOM 804 NZ LYS A 217 0.501 -13.475 -46.347 1.00 0.00 N ATOM 0 H LYS A 217 -4.705 -14.126 -49.563 1.00 0.00 H new ATOM 0 HA LYS A 217 -3.118 -13.036 -51.636 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -2.757 -15.392 -49.753 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -1.516 -14.883 -50.881 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -1.512 -12.598 -49.857 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -2.769 -13.091 -48.740 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -1.222 -14.901 -47.864 1.00 0.00 H new ATOM 0 HD3 LYS A 217 0.038 -14.292 -48.918 1.00 0.00 H new ATOM 0 HE2 LYS A 217 -0.078 -12.065 -47.806 1.00 0.00 H new ATOM 0 HE3 LYS A 217 -1.383 -12.630 -46.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 0.846 -12.701 -45.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 0.052 -14.202 -45.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 1.301 -13.895 -46.863 1.00 0.00 H new ATOM 818 N LEU A 218 -4.366 -16.040 -52.282 1.00 0.00 N ATOM 819 CA LEU A 218 -4.699 -16.974 -53.364 1.00 0.00 C ATOM 820 C LEU A 218 -5.518 -16.279 -54.468 1.00 0.00 C ATOM 821 O LEU A 218 -5.231 -16.452 -55.650 1.00 0.00 O ATOM 822 CB LEU A 218 -5.436 -18.186 -52.764 1.00 0.00 C ATOM 823 CG LEU A 218 -5.821 -19.278 -53.782 1.00 0.00 C ATOM 824 CD1 LEU A 218 -4.600 -19.894 -54.469 1.00 0.00 C ATOM 825 CD2 LEU A 218 -6.583 -20.394 -53.066 1.00 0.00 C ATOM 0 H LEU A 218 -4.735 -16.324 -51.374 1.00 0.00 H new ATOM 0 HA LEU A 218 -3.785 -17.325 -53.843 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -4.806 -18.632 -51.995 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -6.342 -17.834 -52.270 1.00 0.00 H new ATOM 0 HG LEU A 218 -6.437 -18.802 -54.545 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -4.926 -20.657 -55.176 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -4.052 -19.117 -55.002 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -3.951 -20.347 -53.720 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -6.856 -21.167 -53.784 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -5.951 -20.826 -52.290 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -7.486 -19.985 -52.612 1.00 0.00 H new ATOM 837 N MET A 219 -6.502 -15.454 -54.095 1.00 0.00 N ATOM 838 CA MET A 219 -7.310 -14.670 -55.036 1.00 0.00 C ATOM 839 C MET A 219 -6.438 -13.675 -55.821 1.00 0.00 C ATOM 840 O MET A 219 -6.558 -13.589 -57.041 1.00 0.00 O ATOM 841 CB MET A 219 -8.431 -13.957 -54.261 1.00 0.00 C ATOM 842 CG MET A 219 -9.370 -13.155 -55.171 1.00 0.00 C ATOM 843 SD MET A 219 -10.728 -12.316 -54.304 1.00 0.00 S ATOM 844 CE MET A 219 -9.811 -11.047 -53.382 1.00 0.00 C ATOM 0 H MET A 219 -6.763 -15.310 -53.120 1.00 0.00 H new ATOM 0 HA MET A 219 -7.760 -15.337 -55.771 1.00 0.00 H new ATOM 0 HB2 MET A 219 -9.012 -14.697 -53.710 1.00 0.00 H new ATOM 0 HB3 MET A 219 -7.987 -13.287 -53.525 1.00 0.00 H new ATOM 0 HG2 MET A 219 -8.784 -12.410 -55.709 1.00 0.00 H new ATOM 0 HG3 MET A 219 -9.793 -13.827 -55.917 1.00 0.00 H new ATOM 0 HE1 MET A 219 -10.514 -10.349 -52.926 1.00 0.00 H new ATOM 0 HE2 MET A 219 -9.215 -11.523 -52.603 1.00 0.00 H new ATOM 0 HE3 MET A 219 -9.153 -10.507 -54.063 1.00 0.00 H new ATOM 854 N ALA A 220 -5.538 -12.947 -55.149 1.00 0.00 N ATOM 855 CA ALA A 220 -4.631 -11.983 -55.777 1.00 0.00 C ATOM 856 C ALA A 220 -3.650 -12.638 -56.774 1.00 0.00 C ATOM 857 O ALA A 220 -3.438 -12.106 -57.867 1.00 0.00 O ATOM 858 CB ALA A 220 -3.886 -11.226 -54.670 1.00 0.00 C ATOM 0 H ALA A 220 -5.419 -13.013 -54.138 1.00 0.00 H new ATOM 0 HA ALA A 220 -5.223 -11.288 -56.373 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -3.205 -10.503 -55.119 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -4.605 -10.704 -54.039 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -3.318 -11.933 -54.065 1.00 0.00 H new ATOM 864 N ARG A 221 -3.085 -13.808 -56.429 1.00 0.00 N ATOM 865 CA ARG A 221 -2.139 -14.593 -57.257 1.00 0.00 C ATOM 866 C ARG A 221 -2.654 -14.961 -58.659 1.00 0.00 C ATOM 867 O ARG A 221 -1.842 -15.194 -59.556 1.00 0.00 O ATOM 868 CB ARG A 221 -1.737 -15.866 -56.490 1.00 0.00 C ATOM 869 CG ARG A 221 -0.679 -15.596 -55.405 1.00 0.00 C ATOM 870 CD ARG A 221 -0.606 -16.730 -54.373 1.00 0.00 C ATOM 871 NE ARG A 221 -0.390 -18.050 -54.997 1.00 0.00 N ATOM 872 CZ ARG A 221 -0.593 -19.226 -54.426 1.00 0.00 C ATOM 873 NH1 ARG A 221 -0.971 -19.350 -53.180 1.00 0.00 N ATOM 874 NH2 ARG A 221 -0.418 -20.325 -55.107 1.00 0.00 N ATOM 0 H ARG A 221 -3.279 -14.254 -55.532 1.00 0.00 H new ATOM 0 HA ARG A 221 -1.280 -13.946 -57.432 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -2.623 -16.302 -56.028 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -1.350 -16.603 -57.194 1.00 0.00 H new ATOM 0 HG2 ARG A 221 0.297 -15.471 -55.874 1.00 0.00 H new ATOM 0 HG3 ARG A 221 -0.912 -14.660 -54.898 1.00 0.00 H new ATOM 0 HD2 ARG A 221 0.203 -16.527 -53.671 1.00 0.00 H new ATOM 0 HD3 ARG A 221 -1.530 -16.752 -53.796 1.00 0.00 H new ATOM 0 HE ARG A 221 -0.052 -18.056 -55.959 1.00 0.00 H new ATOM 0 HH11 ARG A 221 -1.121 -18.519 -52.608 1.00 0.00 H new ATOM 0 HH12 ARG A 221 -1.116 -20.277 -52.781 1.00 0.00 H new ATOM 0 HH21 ARG A 221 -0.124 -20.279 -56.083 1.00 0.00 H new ATOM 0 HH22 ARG A 221 -0.575 -21.230 -54.664 1.00 0.00 H new ATOM 888 N TYR A 222 -3.974 -14.996 -58.853 1.00 0.00 N ATOM 889 CA TYR A 222 -4.641 -15.334 -60.122 1.00 0.00 C ATOM 890 C TYR A 222 -5.732 -14.306 -60.520 1.00 0.00 C ATOM 891 O TYR A 222 -6.522 -14.557 -61.433 1.00 0.00 O ATOM 892 CB TYR A 222 -5.199 -16.771 -60.017 1.00 0.00 C ATOM 893 CG TYR A 222 -4.162 -17.845 -59.710 1.00 0.00 C ATOM 894 CD1 TYR A 222 -3.473 -18.490 -60.756 1.00 0.00 C ATOM 895 CD2 TYR A 222 -3.882 -18.199 -58.375 1.00 0.00 C ATOM 896 CE1 TYR A 222 -2.494 -19.464 -60.470 1.00 0.00 C ATOM 897 CE2 TYR A 222 -2.901 -19.166 -58.082 1.00 0.00 C ATOM 898 CZ TYR A 222 -2.199 -19.799 -59.130 1.00 0.00 C ATOM 899 OH TYR A 222 -1.249 -20.730 -58.837 1.00 0.00 O ATOM 0 H TYR A 222 -4.636 -14.783 -58.107 1.00 0.00 H new ATOM 0 HA TYR A 222 -3.908 -15.289 -60.928 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -5.963 -16.792 -59.239 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -5.693 -17.022 -60.956 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -3.696 -18.237 -61.782 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -4.424 -17.725 -57.570 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -1.969 -19.954 -61.277 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -2.686 -19.423 -57.055 1.00 0.00 H new ATOM 0 HH TYR A 222 -1.179 -20.832 -57.865 1.00 0.00 H new ATOM 909 N GLY A 223 -5.793 -13.147 -59.846 1.00 0.00 N ATOM 910 CA GLY A 223 -6.815 -12.103 -60.042 1.00 0.00 C ATOM 911 C GLY A 223 -6.578 -11.129 -61.206 1.00 0.00 C ATOM 912 O GLY A 223 -7.544 -10.592 -61.755 1.00 0.00 O ATOM 0 H GLY A 223 -5.112 -12.902 -59.127 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -7.778 -12.591 -60.195 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -6.894 -11.524 -59.122 1.00 0.00 H new ATOM 916 N ARG A 224 -5.310 -10.912 -61.599 1.00 0.00 N ATOM 917 CA ARG A 224 -4.899 -10.016 -62.711 1.00 0.00 C ATOM 918 C ARG A 224 -4.016 -10.709 -63.763 1.00 0.00 C ATOM 919 O ARG A 224 -3.425 -10.053 -64.620 1.00 0.00 O ATOM 920 CB ARG A 224 -4.231 -8.734 -62.166 1.00 0.00 C ATOM 921 CG ARG A 224 -5.162 -7.876 -61.292 1.00 0.00 C ATOM 922 CD ARG A 224 -4.657 -6.429 -61.170 1.00 0.00 C ATOM 923 NE ARG A 224 -3.323 -6.344 -60.542 1.00 0.00 N ATOM 924 CZ ARG A 224 -2.521 -5.290 -60.558 1.00 0.00 C ATOM 925 NH1 ARG A 224 -2.836 -4.169 -61.156 1.00 0.00 N ATOM 926 NH2 ARG A 224 -1.359 -5.338 -59.963 1.00 0.00 N ATOM 0 H ARG A 224 -4.517 -11.364 -61.144 1.00 0.00 H new ATOM 0 HA ARG A 224 -5.813 -9.736 -63.234 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -3.353 -9.012 -61.582 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -3.879 -8.133 -63.005 1.00 0.00 H new ATOM 0 HG2 ARG A 224 -6.165 -7.876 -61.720 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -5.239 -8.319 -60.299 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -4.617 -5.977 -62.161 1.00 0.00 H new ATOM 0 HD3 ARG A 224 -5.368 -5.848 -60.583 1.00 0.00 H new ATOM 0 HE ARG A 224 -2.989 -7.173 -60.051 1.00 0.00 H new ATOM 0 HH11 ARG A 224 -3.732 -4.081 -61.636 1.00 0.00 H new ATOM 0 HH12 ARG A 224 -2.186 -3.383 -61.142 1.00 0.00 H new ATOM 0 HH21 ARG A 224 -1.066 -6.189 -59.484 1.00 0.00 H new ATOM 0 HH22 ARG A 224 -0.744 -4.524 -59.978 1.00 0.00 H new ATOM 940 N LEU A 225 -3.943 -12.042 -63.723 1.00 0.00 N ATOM 941 CA LEU A 225 -3.165 -12.886 -64.644 1.00 0.00 C ATOM 942 C LEU A 225 -3.512 -12.607 -66.124 1.00 0.00 C ATOM 943 O LEU A 225 -2.618 -12.501 -66.966 1.00 0.00 O ATOM 944 CB LEU A 225 -3.410 -14.347 -64.207 1.00 0.00 C ATOM 945 CG LEU A 225 -2.490 -15.431 -64.808 1.00 0.00 C ATOM 946 CD1 LEU A 225 -2.612 -16.692 -63.946 1.00 0.00 C ATOM 947 CD2 LEU A 225 -2.849 -15.825 -66.247 1.00 0.00 C ATOM 0 H LEU A 225 -4.443 -12.588 -63.021 1.00 0.00 H new ATOM 0 HA LEU A 225 -2.100 -12.662 -64.587 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -3.321 -14.394 -63.122 1.00 0.00 H new ATOM 0 HB3 LEU A 225 -4.440 -14.604 -64.454 1.00 0.00 H new ATOM 0 HG LEU A 225 -1.483 -15.013 -64.824 1.00 0.00 H new ATOM 0 HD11 LEU A 225 -1.970 -17.474 -64.352 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -2.307 -16.465 -62.924 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -3.647 -17.035 -63.948 1.00 0.00 H new ATOM 0 HD21 LEU A 225 -2.157 -16.591 -66.598 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -3.866 -16.215 -66.274 1.00 0.00 H new ATOM 0 HD23 LEU A 225 -2.779 -14.949 -66.892 1.00 0.00 H new ATOM 959 N ALA A 226 -4.804 -12.451 -66.434 1.00 0.00 N ATOM 960 CA ALA A 226 -5.318 -12.179 -67.781 1.00 0.00 C ATOM 961 C ALA A 226 -5.089 -10.740 -68.306 1.00 0.00 C ATOM 962 O ALA A 226 -5.226 -10.503 -69.508 1.00 0.00 O ATOM 963 CB ALA A 226 -6.816 -12.514 -67.774 1.00 0.00 C ATOM 0 H ALA A 226 -5.543 -12.512 -65.733 1.00 0.00 H new ATOM 0 HA ALA A 226 -4.752 -12.802 -68.473 1.00 0.00 H new ATOM 0 HB1 ALA A 226 -7.236 -12.324 -68.762 1.00 0.00 H new ATOM 0 HB2 ALA A 226 -6.953 -13.565 -67.517 1.00 0.00 H new ATOM 0 HB3 ALA A 226 -7.325 -11.892 -67.038 1.00 0.00 H new ATOM 969 N ASP A 227 -4.749 -9.774 -67.441 1.00 0.00 N ATOM 970 CA ASP A 227 -4.530 -8.359 -67.792 1.00 0.00 C ATOM 971 C ASP A 227 -3.464 -7.719 -66.880 1.00 0.00 C ATOM 972 O ASP A 227 -3.758 -7.112 -65.840 1.00 0.00 O ATOM 973 CB ASP A 227 -5.861 -7.581 -67.717 1.00 0.00 C ATOM 974 CG ASP A 227 -6.832 -7.927 -68.852 1.00 0.00 C ATOM 975 OD1 ASP A 227 -6.606 -7.437 -69.985 1.00 0.00 O ATOM 976 OD2 ASP A 227 -7.819 -8.656 -68.584 1.00 0.00 O ATOM 0 H ASP A 227 -4.614 -9.959 -66.447 1.00 0.00 H new ATOM 0 HA ASP A 227 -4.158 -8.312 -68.815 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -6.342 -7.789 -66.761 1.00 0.00 H new ATOM 0 HB3 ASP A 227 -5.650 -6.512 -67.742 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -8.379 -10.237 -40.384 1.00 0.00 ZN