USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 386 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.7!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0999 X(o=-0.1,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -1.691 -8.667 -2.100 1.00 0.00 N ATOM 89 CA ALA A 9 -1.246 -7.331 -2.478 1.00 0.00 C ATOM 90 C ALA A 9 -1.971 -6.262 -1.668 1.00 0.00 C ATOM 91 O ALA A 9 -2.914 -6.558 -0.934 1.00 0.00 O ATOM 92 CB ALA A 9 -1.461 -7.105 -3.967 1.00 0.00 C ATOM 0 HA ALA A 9 -0.181 -7.254 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.124 -6.104 -4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.892 -7.843 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.521 -7.206 -4.201 1.00 0.00 H new ATOM 98 N ALA A 10 -1.524 -5.018 -1.805 1.00 0.00 N ATOM 99 CA ALA A 10 -2.132 -3.904 -1.087 1.00 0.00 C ATOM 100 C ALA A 10 -2.400 -2.729 -2.021 1.00 0.00 C ATOM 101 O ALA A 10 -1.578 -2.407 -2.880 1.00 0.00 O ATOM 102 CB ALA A 10 -1.239 -3.471 0.067 1.00 0.00 C ATOM 0 H ALA A 10 -0.743 -4.756 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.088 -4.240 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.704 -2.639 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.103 -4.306 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.270 -3.158 -0.321 1.00 0.00 H new ATOM 108 N ARG A 11 -3.554 -2.094 -1.849 1.00 0.00 N ATOM 109 CA ARG A 11 -3.931 -0.955 -2.678 1.00 0.00 C ATOM 110 C ARG A 11 -3.560 0.359 -1.998 1.00 0.00 C ATOM 111 O ARG A 11 -3.545 0.453 -0.770 1.00 0.00 O ATOM 112 CB ARG A 11 -5.432 -0.985 -2.971 1.00 0.00 C ATOM 113 CG ARG A 11 -5.931 0.239 -3.722 1.00 0.00 C ATOM 114 CD ARG A 11 -7.433 0.414 -3.565 1.00 0.00 C ATOM 115 NE ARG A 11 -8.179 -0.673 -4.194 1.00 0.00 N ATOM 116 CZ ARG A 11 -8.477 -0.707 -5.488 1.00 0.00 C ATOM 117 NH1 ARG A 11 -8.094 0.280 -6.286 1.00 0.00 N ATOM 118 NH2 ARG A 11 -9.160 -1.730 -5.986 1.00 0.00 N ATOM 0 H ARG A 11 -4.245 -2.349 -1.143 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.383 -1.024 -3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.662 -1.877 -3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.976 -1.070 -2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.419 1.128 -3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.683 0.145 -4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.684 0.460 -2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.735 1.364 -4.006 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.488 -1.448 -3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.569 1.068 -5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.324 0.251 -7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.457 -2.491 -5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.388 -1.755 -6.980 1.00 0.00 H new ATOM 132 N LEU A 12 -3.262 1.373 -2.803 1.00 0.00 N ATOM 133 CA LEU A 12 -2.891 2.683 -2.280 1.00 0.00 C ATOM 134 C LEU A 12 -4.110 3.411 -1.722 1.00 0.00 C ATOM 135 O LEU A 12 -4.979 3.855 -2.472 1.00 0.00 O ATOM 136 CB LEU A 12 -2.237 3.525 -3.376 1.00 0.00 C ATOM 137 CG LEU A 12 -0.722 3.377 -3.522 1.00 0.00 C ATOM 138 CD1 LEU A 12 -0.012 3.907 -2.286 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.350 1.923 -3.771 1.00 0.00 C ATOM 0 H LEU A 12 -3.270 1.313 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.177 2.535 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.700 3.269 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.463 4.574 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.400 3.966 -4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.065 3.793 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.253 4.962 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.339 3.346 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.732 1.836 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.686 1.313 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.829 1.577 -4.687 1.00 0.00 H new ATOM 151 N LYS A 13 -4.166 3.533 -0.400 1.00 0.00 N ATOM 152 CA LYS A 13 -5.275 4.211 0.260 1.00 0.00 C ATOM 153 C LYS A 13 -5.429 5.636 -0.260 1.00 0.00 C ATOM 154 O LYS A 13 -6.514 6.216 -0.201 1.00 0.00 O ATOM 155 CB LYS A 13 -5.060 4.230 1.775 1.00 0.00 C ATOM 156 CG LYS A 13 -5.175 2.861 2.423 1.00 0.00 C ATOM 157 CD LYS A 13 -5.645 2.965 3.865 1.00 0.00 C ATOM 158 CE LYS A 13 -4.495 3.296 4.803 1.00 0.00 C ATOM 159 NZ LYS A 13 -4.773 2.857 6.198 1.00 0.00 N ATOM 0 H LYS A 13 -3.455 3.171 0.236 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.189 3.661 0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.074 4.642 1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.790 4.900 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.873 2.246 1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.208 2.359 2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.413 3.734 3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.104 2.024 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.585 2.815 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.314 4.371 4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.965 3.101 6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.627 3.335 6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.921 1.828 6.215 1.00 0.00 H new ATOM 173 N PHE A 14 -4.337 6.196 -0.772 1.00 0.00 N ATOM 174 CA PHE A 14 -4.352 7.553 -1.303 1.00 0.00 C ATOM 175 C PHE A 14 -3.152 7.793 -2.216 1.00 0.00 C ATOM 176 O PHE A 14 -2.162 7.063 -2.161 1.00 0.00 O ATOM 177 CB PHE A 14 -4.349 8.571 -0.161 1.00 0.00 C ATOM 178 CG PHE A 14 -5.302 8.230 0.949 1.00 0.00 C ATOM 179 CD1 PHE A 14 -6.627 8.628 0.888 1.00 0.00 C ATOM 180 CD2 PHE A 14 -4.872 7.509 2.052 1.00 0.00 C ATOM 181 CE1 PHE A 14 -7.506 8.316 1.908 1.00 0.00 C ATOM 182 CE2 PHE A 14 -5.747 7.193 3.075 1.00 0.00 C ATOM 183 CZ PHE A 14 -7.066 7.597 3.002 1.00 0.00 C ATOM 0 H PHE A 14 -3.431 5.730 -0.830 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.263 7.677 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.341 8.645 0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.604 9.553 -0.560 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.977 9.188 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.842 7.190 2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.536 8.634 1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.400 6.631 3.930 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.752 7.351 3.799 1.00 0.00 H new ATOM 193 N ASP A 15 -3.250 8.819 -3.054 1.00 0.00 N ATOM 194 CA ASP A 15 -2.173 9.156 -3.978 1.00 0.00 C ATOM 195 C ASP A 15 -0.916 9.570 -3.220 1.00 0.00 C ATOM 196 O ASP A 15 -0.992 10.221 -2.178 1.00 0.00 O ATOM 197 CB ASP A 15 -2.612 10.281 -4.916 1.00 0.00 C ATOM 198 CG ASP A 15 -1.453 11.157 -5.351 1.00 0.00 C ATOM 199 OD1 ASP A 15 -0.865 11.836 -4.484 1.00 0.00 O ATOM 200 OD2 ASP A 15 -1.136 11.164 -6.559 1.00 0.00 O ATOM 0 H ASP A 15 -4.064 9.431 -3.113 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.943 8.269 -4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.089 9.851 -5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.361 10.896 -4.416 1.00 0.00 H new ATOM 205 N PHE A 16 0.241 9.187 -3.750 1.00 0.00 N ATOM 206 CA PHE A 16 1.516 9.516 -3.123 1.00 0.00 C ATOM 207 C PHE A 16 2.425 10.260 -4.097 1.00 0.00 C ATOM 208 O PHE A 16 2.589 9.849 -5.245 1.00 0.00 O ATOM 209 CB PHE A 16 2.210 8.245 -2.630 1.00 0.00 C ATOM 210 CG PHE A 16 3.614 8.475 -2.150 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.850 9.019 -0.897 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.697 8.148 -2.949 1.00 0.00 C ATOM 213 CE1 PHE A 16 5.141 9.234 -0.453 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.990 8.360 -2.510 1.00 0.00 C ATOM 215 CZ PHE A 16 6.212 8.902 -1.260 1.00 0.00 C ATOM 0 H PHE A 16 0.322 8.648 -4.612 1.00 0.00 H new ATOM 0 HA PHE A 16 1.316 10.166 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.624 7.812 -1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.226 7.513 -3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.016 9.278 -0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.529 7.722 -3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.312 9.661 0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.826 8.102 -3.144 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.222 9.066 -0.913 1.00 0.00 H new ATOM 225 N GLN A 17 3.012 11.357 -3.629 1.00 0.00 N ATOM 226 CA GLN A 17 3.903 12.160 -4.458 1.00 0.00 C ATOM 227 C GLN A 17 5.354 11.988 -4.022 1.00 0.00 C ATOM 228 O GLN A 17 5.779 12.546 -3.011 1.00 0.00 O ATOM 229 CB GLN A 17 3.508 13.636 -4.388 1.00 0.00 C ATOM 230 CG GLN A 17 3.979 14.449 -5.583 1.00 0.00 C ATOM 231 CD GLN A 17 5.460 14.766 -5.526 1.00 0.00 C ATOM 232 OE1 GLN A 17 6.071 14.747 -4.457 1.00 0.00 O ATOM 233 NE2 GLN A 17 6.048 15.059 -6.680 1.00 0.00 N ATOM 0 H GLN A 17 2.887 11.710 -2.680 1.00 0.00 H new ATOM 0 HA GLN A 17 3.809 11.815 -5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.423 13.710 -4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.920 14.071 -3.478 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.764 13.899 -6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.414 15.380 -5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.504 15.063 -7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.044 15.280 -6.704 1.00 0.00 H new ATOM 242 N ALA A 18 6.110 11.211 -4.791 1.00 0.00 N ATOM 243 CA ALA A 18 7.514 10.968 -4.485 1.00 0.00 C ATOM 244 C ALA A 18 8.325 12.256 -4.565 1.00 0.00 C ATOM 245 O ALA A 18 8.646 12.732 -5.654 1.00 0.00 O ATOM 246 CB ALA A 18 8.087 9.922 -5.431 1.00 0.00 C ATOM 0 H ALA A 18 5.773 10.739 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 18 7.577 10.593 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.136 9.750 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.533 8.990 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.003 10.276 -6.459 1.00 0.00 H new ATOM 252 N GLN A 19 8.653 12.817 -3.405 1.00 0.00 N ATOM 253 CA GLN A 19 9.425 14.052 -3.345 1.00 0.00 C ATOM 254 C GLN A 19 10.850 13.827 -3.841 1.00 0.00 C ATOM 255 O GLN A 19 11.432 14.690 -4.499 1.00 0.00 O ATOM 256 CB GLN A 19 9.450 14.594 -1.915 1.00 0.00 C ATOM 257 CG GLN A 19 10.168 15.927 -1.782 1.00 0.00 C ATOM 258 CD GLN A 19 10.483 16.279 -0.341 1.00 0.00 C ATOM 259 OE1 GLN A 19 9.821 15.808 0.584 1.00 0.00 O ATOM 260 NE2 GLN A 19 11.498 17.112 -0.143 1.00 0.00 N ATOM 0 H GLN A 19 8.396 12.436 -2.495 1.00 0.00 H new ATOM 0 HA GLN A 19 8.944 14.783 -3.995 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.426 14.706 -1.560 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.934 13.864 -1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.095 15.895 -2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.551 16.713 -2.217 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.020 17.479 -0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.756 17.385 0.805 1.00 0.00 H new ATOM 269 N SER A 20 11.406 12.663 -3.521 1.00 0.00 N ATOM 270 CA SER A 20 12.765 12.327 -3.931 1.00 0.00 C ATOM 271 C SER A 20 12.753 11.360 -5.111 1.00 0.00 C ATOM 272 O SER A 20 11.756 10.694 -5.390 1.00 0.00 O ATOM 273 CB SER A 20 13.536 11.712 -2.761 1.00 0.00 C ATOM 274 OG SER A 20 14.200 12.712 -2.007 1.00 0.00 O ATOM 0 H SER A 20 10.937 11.937 -2.979 1.00 0.00 H new ATOM 0 HA SER A 20 13.262 13.246 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.849 11.163 -2.117 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.263 10.993 -3.138 1.00 0.00 H new ATOM 0 HG SER A 20 14.684 12.294 -1.264 1.00 0.00 H new ATOM 280 N PRO A 21 13.888 11.280 -5.821 1.00 0.00 N ATOM 281 CA PRO A 21 14.034 10.398 -6.982 1.00 0.00 C ATOM 282 C PRO A 21 14.061 8.924 -6.591 1.00 0.00 C ATOM 283 O PRO A 21 13.752 8.050 -7.401 1.00 0.00 O ATOM 284 CB PRO A 21 15.380 10.817 -7.579 1.00 0.00 C ATOM 285 CG PRO A 21 16.139 11.394 -6.433 1.00 0.00 C ATOM 286 CD PRO A 21 15.115 12.046 -5.545 1.00 0.00 C ATOM 0 HA PRO A 21 13.197 10.493 -7.674 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.904 9.965 -8.012 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.249 11.549 -8.376 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.684 10.618 -5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.875 12.120 -6.778 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.398 11.987 -4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.991 13.103 -5.783 1.00 0.00 H new ATOM 294 N LYS A 22 14.431 8.655 -5.343 1.00 0.00 N ATOM 295 CA LYS A 22 14.496 7.287 -4.843 1.00 0.00 C ATOM 296 C LYS A 22 13.098 6.735 -4.583 1.00 0.00 C ATOM 297 O LYS A 22 12.826 5.564 -4.844 1.00 0.00 O ATOM 298 CB LYS A 22 15.325 7.232 -3.557 1.00 0.00 C ATOM 299 CG LYS A 22 16.824 7.233 -3.799 1.00 0.00 C ATOM 300 CD LYS A 22 17.594 6.901 -2.532 1.00 0.00 C ATOM 301 CE LYS A 22 17.511 5.419 -2.202 1.00 0.00 C ATOM 302 NZ LYS A 22 18.507 4.623 -2.972 1.00 0.00 N ATOM 0 H LYS A 22 14.690 9.366 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 22 14.974 6.671 -5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.066 8.086 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.056 6.335 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.069 6.508 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.133 8.211 -4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 22 18.638 7.190 -2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 22 17.197 7.483 -1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.678 5.275 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.507 5.054 -2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.419 3.618 -2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.332 4.740 -3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.466 4.954 -2.745 1.00 0.00 H new ATOM 316 N GLU A 23 12.216 7.588 -4.070 1.00 0.00 N ATOM 317 CA GLU A 23 10.846 7.184 -3.777 1.00 0.00 C ATOM 318 C GLU A 23 10.135 6.713 -5.042 1.00 0.00 C ATOM 319 O GLU A 23 10.698 6.756 -6.137 1.00 0.00 O ATOM 320 CB GLU A 23 10.073 8.343 -3.146 1.00 0.00 C ATOM 321 CG GLU A 23 10.448 8.608 -1.697 1.00 0.00 C ATOM 322 CD GLU A 23 9.906 9.929 -1.186 1.00 0.00 C ATOM 323 OE1 GLU A 23 8.839 10.359 -1.672 1.00 0.00 O ATOM 324 OE2 GLU A 23 10.548 10.531 -0.301 1.00 0.00 O ATOM 0 H GLU A 23 12.426 8.561 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 23 10.882 6.354 -3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.250 9.247 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.005 8.130 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.069 7.798 -1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.534 8.603 -1.600 1.00 0.00 H new ATOM 331 N LEU A 24 8.895 6.263 -4.884 1.00 0.00 N ATOM 332 CA LEU A 24 8.106 5.783 -6.013 1.00 0.00 C ATOM 333 C LEU A 24 6.791 6.549 -6.123 1.00 0.00 C ATOM 334 O LEU A 24 6.172 6.890 -5.114 1.00 0.00 O ATOM 335 CB LEU A 24 7.827 4.287 -5.867 1.00 0.00 C ATOM 336 CG LEU A 24 8.850 3.347 -6.505 1.00 0.00 C ATOM 337 CD1 LEU A 24 8.691 1.936 -5.962 1.00 0.00 C ATOM 338 CD2 LEU A 24 8.711 3.357 -8.020 1.00 0.00 C ATOM 0 H LEU A 24 8.414 6.221 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 24 8.681 5.951 -6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.761 4.052 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.850 4.076 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 24 9.849 3.701 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.428 1.282 -6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.842 1.942 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.689 1.571 -6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.447 2.682 -8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.709 3.029 -8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.877 4.367 -8.394 1.00 0.00 H new ATOM 350 N THR A 25 6.367 6.815 -7.355 1.00 0.00 N ATOM 351 CA THR A 25 5.126 7.539 -7.597 1.00 0.00 C ATOM 352 C THR A 25 3.964 6.578 -7.820 1.00 0.00 C ATOM 353 O THR A 25 3.993 5.754 -8.736 1.00 0.00 O ATOM 354 CB THR A 25 5.248 8.471 -8.817 1.00 0.00 C ATOM 355 OG1 THR A 25 6.400 9.310 -8.679 1.00 0.00 O ATOM 356 CG2 THR A 25 4.003 9.332 -8.967 1.00 0.00 C ATOM 0 H THR A 25 6.866 6.539 -8.201 1.00 0.00 H new ATOM 0 HA THR A 25 4.932 8.140 -6.708 1.00 0.00 H new ATOM 0 HB THR A 25 5.353 7.853 -9.709 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.472 9.898 -9.459 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.112 9.982 -9.835 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.131 8.691 -9.101 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.872 9.941 -8.072 1.00 0.00 H new ATOM 364 N LEU A 26 2.941 6.688 -6.979 1.00 0.00 N ATOM 365 CA LEU A 26 1.767 5.828 -7.085 1.00 0.00 C ATOM 366 C LEU A 26 0.483 6.646 -6.990 1.00 0.00 C ATOM 367 O LEU A 26 0.333 7.481 -6.099 1.00 0.00 O ATOM 368 CB LEU A 26 1.790 4.763 -5.988 1.00 0.00 C ATOM 369 CG LEU A 26 3.113 4.020 -5.800 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.162 3.354 -4.434 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.307 2.991 -6.904 1.00 0.00 C ATOM 0 H LEU A 26 2.901 7.364 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 26 1.792 5.338 -8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.526 5.238 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.013 4.030 -6.205 1.00 0.00 H new ATOM 0 HG LEU A 26 3.926 4.744 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.111 2.830 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.069 4.112 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.341 2.642 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.254 2.471 -6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.489 2.271 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.317 3.493 -7.872 1.00 0.00 H new ATOM 383 N GLN A 27 -0.440 6.398 -7.914 1.00 0.00 N ATOM 384 CA GLN A 27 -1.712 7.111 -7.932 1.00 0.00 C ATOM 385 C GLN A 27 -2.703 6.481 -6.959 1.00 0.00 C ATOM 386 O GLN A 27 -2.602 5.299 -6.632 1.00 0.00 O ATOM 387 CB GLN A 27 -2.298 7.115 -9.345 1.00 0.00 C ATOM 388 CG GLN A 27 -3.137 8.345 -9.653 1.00 0.00 C ATOM 389 CD GLN A 27 -4.076 8.133 -10.823 1.00 0.00 C ATOM 390 OE1 GLN A 27 -3.639 7.942 -11.959 1.00 0.00 O ATOM 391 NE2 GLN A 27 -5.376 8.164 -10.553 1.00 0.00 N ATOM 0 H GLN A 27 -0.331 5.710 -8.659 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.528 8.139 -7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.484 7.051 -10.067 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.912 6.224 -9.477 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.717 8.614 -8.771 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.477 9.185 -9.869 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.695 8.325 -9.598 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.056 8.027 -11.301 1.00 0.00 H new ATOM 400 N LYS A 28 -3.662 7.278 -6.500 1.00 0.00 N ATOM 401 CA LYS A 28 -4.673 6.800 -5.566 1.00 0.00 C ATOM 402 C LYS A 28 -5.452 5.630 -6.158 1.00 0.00 C ATOM 403 O LYS A 28 -6.149 5.780 -7.161 1.00 0.00 O ATOM 404 CB LYS A 28 -5.634 7.932 -5.198 1.00 0.00 C ATOM 405 CG LYS A 28 -6.863 7.465 -4.437 1.00 0.00 C ATOM 406 CD LYS A 28 -7.984 8.489 -4.504 1.00 0.00 C ATOM 407 CE LYS A 28 -9.243 7.983 -3.818 1.00 0.00 C ATOM 408 NZ LYS A 28 -9.168 8.135 -2.339 1.00 0.00 N ATOM 0 H LYS A 28 -3.760 8.259 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.165 6.456 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.102 8.667 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.952 8.438 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.209 6.518 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.599 7.281 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.659 9.417 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.204 8.721 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.107 8.530 -4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.396 6.933 -4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.045 7.779 -1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.359 7.593 -1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.048 9.140 -2.099 1.00 0.00 H new ATOM 422 N GLY A 29 -5.331 4.464 -5.530 1.00 0.00 N ATOM 423 CA GLY A 29 -6.030 3.287 -6.010 1.00 0.00 C ATOM 424 C GLY A 29 -5.202 2.480 -6.990 1.00 0.00 C ATOM 425 O GLY A 29 -5.655 2.178 -8.094 1.00 0.00 O ATOM 0 H GLY A 29 -4.761 4.314 -4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.299 2.657 -5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.960 3.591 -6.490 1.00 0.00 H new ATOM 429 N ASP A 30 -3.986 2.130 -6.587 1.00 0.00 N ATOM 430 CA ASP A 30 -3.092 1.354 -7.438 1.00 0.00 C ATOM 431 C ASP A 30 -2.629 0.086 -6.727 1.00 0.00 C ATOM 432 O ASP A 30 -2.847 -0.078 -5.526 1.00 0.00 O ATOM 433 CB ASP A 30 -1.882 2.195 -7.846 1.00 0.00 C ATOM 434 CG ASP A 30 -2.162 3.065 -9.056 1.00 0.00 C ATOM 435 OD1 ASP A 30 -3.330 3.467 -9.239 1.00 0.00 O ATOM 436 OD2 ASP A 30 -1.214 3.342 -9.820 1.00 0.00 O ATOM 0 H ASP A 30 -3.596 2.371 -5.676 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.643 1.067 -8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.584 2.827 -7.009 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.042 1.536 -8.063 1.00 0.00 H new ATOM 441 N ILE A 31 -1.991 -0.807 -7.475 1.00 0.00 N ATOM 442 CA ILE A 31 -1.498 -2.059 -6.916 1.00 0.00 C ATOM 443 C ILE A 31 0.026 -2.074 -6.860 1.00 0.00 C ATOM 444 O ILE A 31 0.696 -1.571 -7.762 1.00 0.00 O ATOM 445 CB ILE A 31 -1.983 -3.271 -7.734 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.506 -3.247 -7.869 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.523 -4.567 -7.083 1.00 0.00 C ATOM 448 CD1 ILE A 31 -4.232 -3.471 -6.560 1.00 0.00 C ATOM 0 H ILE A 31 -1.803 -0.687 -8.470 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.897 -2.131 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.549 -3.214 -8.732 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.811 -2.287 -8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.812 -4.014 -8.581 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.873 -5.414 -7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.434 -4.584 -7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.932 -4.633 -6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.308 -3.441 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.956 -4.444 -6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.955 -2.690 -5.852 1.00 0.00 H new ATOM 460 N VAL A 32 0.568 -2.657 -5.795 1.00 0.00 N ATOM 461 CA VAL A 32 2.013 -2.741 -5.623 1.00 0.00 C ATOM 462 C VAL A 32 2.418 -4.084 -5.025 1.00 0.00 C ATOM 463 O VAL A 32 1.592 -4.795 -4.452 1.00 0.00 O ATOM 464 CB VAL A 32 2.537 -1.610 -4.718 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.218 -0.251 -5.323 1.00 0.00 C ATOM 466 CG2 VAL A 32 1.949 -1.732 -3.320 1.00 0.00 C ATOM 0 H VAL A 32 0.028 -3.078 -5.039 1.00 0.00 H new ATOM 0 HA VAL A 32 2.456 -2.639 -6.614 1.00 0.00 H new ATOM 0 HB VAL A 32 3.620 -1.701 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.596 0.536 -4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.691 -0.168 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.139 -0.145 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.330 -0.925 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.862 -1.667 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.233 -2.692 -2.888 1.00 0.00 H new ATOM 476 N TYR A 33 3.695 -4.425 -5.163 1.00 0.00 N ATOM 477 CA TYR A 33 4.210 -5.685 -4.638 1.00 0.00 C ATOM 478 C TYR A 33 5.395 -5.443 -3.708 1.00 0.00 C ATOM 479 O TYR A 33 6.440 -4.949 -4.132 1.00 0.00 O ATOM 480 CB TYR A 33 4.627 -6.606 -5.785 1.00 0.00 C ATOM 481 CG TYR A 33 4.685 -8.067 -5.398 1.00 0.00 C ATOM 482 CD1 TYR A 33 5.853 -8.625 -4.891 1.00 0.00 C ATOM 483 CD2 TYR A 33 3.574 -8.889 -5.540 1.00 0.00 C ATOM 484 CE1 TYR A 33 5.911 -9.959 -4.536 1.00 0.00 C ATOM 485 CE2 TYR A 33 3.623 -10.223 -5.186 1.00 0.00 C ATOM 486 CZ TYR A 33 4.794 -10.754 -4.685 1.00 0.00 C ATOM 487 OH TYR A 33 4.847 -12.083 -4.333 1.00 0.00 O ATOM 0 H TYR A 33 4.392 -3.847 -5.633 1.00 0.00 H new ATOM 0 HA TYR A 33 3.415 -6.164 -4.067 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.925 -6.485 -6.610 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.606 -6.297 -6.151 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.730 -8.005 -4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.656 -8.478 -5.934 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.826 -10.377 -4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.749 -10.847 -5.301 1.00 0.00 H new ATOM 0 HH TYR A 33 3.976 -12.500 -4.499 1.00 0.00 H new ATOM 497 N ILE A 34 5.223 -5.796 -2.439 1.00 0.00 N ATOM 498 CA ILE A 34 6.278 -5.619 -1.448 1.00 0.00 C ATOM 499 C ILE A 34 7.230 -6.811 -1.441 1.00 0.00 C ATOM 500 O ILE A 34 6.860 -7.912 -1.032 1.00 0.00 O ATOM 501 CB ILE A 34 5.697 -5.432 -0.034 1.00 0.00 C ATOM 502 CG1 ILE A 34 4.834 -4.170 0.023 1.00 0.00 C ATOM 503 CG2 ILE A 34 6.817 -5.361 0.993 1.00 0.00 C ATOM 504 CD1 ILE A 34 3.380 -4.416 -0.313 1.00 0.00 C ATOM 0 H ILE A 34 4.364 -6.206 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 34 6.827 -4.720 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 34 5.068 -6.291 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.900 -3.740 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.238 -3.432 -0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.391 -5.229 1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.395 -6.285 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.469 -4.518 0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.829 -3.478 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.303 -4.818 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.959 -5.130 0.394 1.00 0.00 H new ATOM 516 N HIS A 35 8.458 -6.583 -1.894 1.00 0.00 N ATOM 517 CA HIS A 35 9.465 -7.638 -1.938 1.00 0.00 C ATOM 518 C HIS A 35 10.208 -7.735 -0.608 1.00 0.00 C ATOM 519 O HIS A 35 10.265 -8.799 0.007 1.00 0.00 O ATOM 520 CB HIS A 35 10.457 -7.378 -3.072 1.00 0.00 C ATOM 521 CG HIS A 35 11.051 -8.628 -3.645 1.00 0.00 C ATOM 522 ND1 HIS A 35 11.593 -9.629 -2.867 1.00 0.00 N ATOM 523 CD2 HIS A 35 11.186 -9.036 -4.929 1.00 0.00 C ATOM 524 CE1 HIS A 35 12.036 -10.599 -3.647 1.00 0.00 C ATOM 525 NE2 HIS A 35 11.801 -10.264 -4.903 1.00 0.00 N ATOM 0 H HIS A 35 8.780 -5.678 -2.236 1.00 0.00 H new ATOM 0 HA HIS A 35 8.957 -8.585 -2.120 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.953 -6.828 -3.866 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.260 -6.740 -2.703 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.869 -8.497 -5.809 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.510 -11.511 -3.314 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.038 -10.826 -5.721 1.00 0.00 H new ATOM 533 N LYS A 36 10.776 -6.616 -0.171 1.00 0.00 N ATOM 534 CA LYS A 36 11.516 -6.574 1.085 1.00 0.00 C ATOM 535 C LYS A 36 11.063 -5.397 1.943 1.00 0.00 C ATOM 536 O LYS A 36 10.302 -4.543 1.489 1.00 0.00 O ATOM 537 CB LYS A 36 13.018 -6.472 0.813 1.00 0.00 C ATOM 538 CG LYS A 36 13.466 -5.085 0.386 1.00 0.00 C ATOM 539 CD LYS A 36 14.954 -4.883 0.621 1.00 0.00 C ATOM 540 CE LYS A 36 15.285 -3.419 0.867 1.00 0.00 C ATOM 541 NZ LYS A 36 16.755 -3.187 0.937 1.00 0.00 N ATOM 0 H LYS A 36 10.738 -5.726 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 36 11.314 -7.497 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.562 -6.759 1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.287 -7.187 0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.240 -4.938 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.904 -4.333 0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.272 -5.478 1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.512 -5.243 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.859 -2.811 0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.821 -3.093 1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.939 -2.177 1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.158 -3.747 1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.195 -3.474 0.039 1.00 0.00 H new ATOM 555 N GLU A 37 11.536 -5.359 3.185 1.00 0.00 N ATOM 556 CA GLU A 37 11.180 -4.286 4.105 1.00 0.00 C ATOM 557 C GLU A 37 12.351 -3.329 4.306 1.00 0.00 C ATOM 558 O GLU A 37 13.481 -3.755 4.546 1.00 0.00 O ATOM 559 CB GLU A 37 10.742 -4.864 5.453 1.00 0.00 C ATOM 560 CG GLU A 37 9.500 -5.735 5.367 1.00 0.00 C ATOM 561 CD GLU A 37 9.743 -7.022 4.602 1.00 0.00 C ATOM 562 OE1 GLU A 37 10.742 -7.709 4.901 1.00 0.00 O ATOM 563 OE2 GLU A 37 8.934 -7.342 3.706 1.00 0.00 O ATOM 0 H GLU A 37 12.166 -6.059 3.577 1.00 0.00 H new ATOM 0 HA GLU A 37 10.350 -3.730 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.560 -5.452 5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.553 -4.044 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.158 -5.974 6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.700 -5.174 4.883 1.00 0.00 H new ATOM 570 N VAL A 38 12.074 -2.033 4.205 1.00 0.00 N ATOM 571 CA VAL A 38 13.103 -1.015 4.376 1.00 0.00 C ATOM 572 C VAL A 38 13.209 -0.579 5.833 1.00 0.00 C ATOM 573 O VAL A 38 14.272 -0.678 6.446 1.00 0.00 O ATOM 574 CB VAL A 38 12.821 0.221 3.501 1.00 0.00 C ATOM 575 CG1 VAL A 38 13.889 1.283 3.716 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.737 -0.173 2.034 1.00 0.00 C ATOM 0 H VAL A 38 11.145 -1.663 4.005 1.00 0.00 H new ATOM 0 HA VAL A 38 14.046 -1.464 4.065 1.00 0.00 H new ATOM 0 HB VAL A 38 11.860 0.642 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.673 2.148 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.896 1.586 4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.865 0.877 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.537 0.712 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.681 -0.619 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.932 -0.895 1.897 1.00 0.00 H new ATOM 586 N ASP A 39 12.100 -0.097 6.382 1.00 0.00 N ATOM 587 CA ASP A 39 12.066 0.353 7.769 1.00 0.00 C ATOM 588 C ASP A 39 10.817 -0.161 8.477 1.00 0.00 C ATOM 589 O ASP A 39 9.965 -0.806 7.866 1.00 0.00 O ATOM 590 CB ASP A 39 12.113 1.880 7.833 1.00 0.00 C ATOM 591 CG ASP A 39 12.627 2.389 9.166 1.00 0.00 C ATOM 592 OD1 ASP A 39 13.782 2.068 9.517 1.00 0.00 O ATOM 593 OD2 ASP A 39 11.875 3.106 9.858 1.00 0.00 O ATOM 0 H ASP A 39 11.212 -0.008 5.888 1.00 0.00 H new ATOM 0 HA ASP A 39 12.941 -0.051 8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.752 2.255 7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.114 2.279 7.656 1.00 0.00 H new ATOM 598 N LYS A 40 10.714 0.129 9.770 1.00 0.00 N ATOM 599 CA LYS A 40 9.569 -0.302 10.562 1.00 0.00 C ATOM 600 C LYS A 40 8.260 0.122 9.904 1.00 0.00 C ATOM 601 O LYS A 40 7.243 -0.559 10.026 1.00 0.00 O ATOM 602 CB LYS A 40 9.653 0.279 11.976 1.00 0.00 C ATOM 603 CG LYS A 40 10.810 -0.271 12.792 1.00 0.00 C ATOM 604 CD LYS A 40 11.107 0.604 13.998 1.00 0.00 C ATOM 605 CE LYS A 40 12.420 0.213 14.660 1.00 0.00 C ATOM 606 NZ LYS A 40 12.491 0.685 16.071 1.00 0.00 N ATOM 0 H LYS A 40 11.411 0.661 10.291 1.00 0.00 H new ATOM 0 HA LYS A 40 9.589 -1.390 10.621 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.749 1.363 11.909 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.720 0.074 12.500 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.574 -1.282 13.124 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.698 -0.341 12.164 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.151 1.648 13.689 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.295 0.519 14.720 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.532 -0.871 14.633 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.251 0.633 14.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.400 0.399 16.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.410 1.722 16.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.713 0.264 16.617 1.00 0.00 H new ATOM 620 N ASN A 41 8.294 1.252 9.204 1.00 0.00 N ATOM 621 CA ASN A 41 7.110 1.767 8.525 1.00 0.00 C ATOM 622 C ASN A 41 7.326 1.813 7.016 1.00 0.00 C ATOM 623 O ASN A 41 6.393 1.611 6.239 1.00 0.00 O ATOM 624 CB ASN A 41 6.765 3.163 9.046 1.00 0.00 C ATOM 625 CG ASN A 41 5.819 3.121 10.231 1.00 0.00 C ATOM 626 OD1 ASN A 41 6.190 2.685 11.320 1.00 0.00 O ATOM 627 ND2 ASN A 41 4.589 3.576 10.022 1.00 0.00 N ATOM 0 H ASN A 41 9.128 1.828 9.092 1.00 0.00 H new ATOM 0 HA ASN A 41 6.279 1.093 8.734 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.682 3.677 9.335 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.312 3.746 8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.908 3.573 10.782 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.325 3.929 9.102 1.00 0.00 H new ATOM 634 N TRP A 42 8.562 2.081 6.609 1.00 0.00 N ATOM 635 CA TRP A 42 8.900 2.154 5.192 1.00 0.00 C ATOM 636 C TRP A 42 9.082 0.759 4.603 1.00 0.00 C ATOM 637 O TRP A 42 9.575 -0.149 5.273 1.00 0.00 O ATOM 638 CB TRP A 42 10.176 2.975 4.993 1.00 0.00 C ATOM 639 CG TRP A 42 10.010 4.424 5.340 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.291 5.017 6.538 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.522 5.460 4.481 1.00 0.00 C ATOM 642 NE1 TRP A 42 10.008 6.360 6.475 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.536 6.657 5.224 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.078 5.494 3.157 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.121 7.872 4.684 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.666 6.701 2.623 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.691 7.876 3.385 1.00 0.00 C ATOM 0 H TRP A 42 9.346 2.251 7.239 1.00 0.00 H new ATOM 0 HA TRP A 42 8.076 2.643 4.672 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.972 2.551 5.606 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.495 2.892 3.954 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.679 4.506 7.407 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.130 7.028 7.236 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.057 4.594 2.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.138 8.779 5.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.319 6.738 1.601 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.364 8.804 2.938 1.00 0.00 H new ATOM 658 N LEU A 43 8.680 0.595 3.348 1.00 0.00 N ATOM 659 CA LEU A 43 8.799 -0.690 2.668 1.00 0.00 C ATOM 660 C LEU A 43 9.385 -0.515 1.271 1.00 0.00 C ATOM 661 O LEU A 43 9.452 0.598 0.751 1.00 0.00 O ATOM 662 CB LEU A 43 7.432 -1.371 2.579 1.00 0.00 C ATOM 663 CG LEU A 43 6.670 -1.521 3.896 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.225 -1.917 3.635 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.352 -2.544 4.793 1.00 0.00 C ATOM 0 H LEU A 43 8.269 1.336 2.780 1.00 0.00 H new ATOM 0 HA LEU A 43 9.474 -1.319 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.811 -0.804 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.570 -2.362 2.147 1.00 0.00 H new ATOM 0 HG LEU A 43 6.674 -0.559 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.699 -2.019 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.740 -1.149 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.199 -2.867 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.796 -2.638 5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.379 -3.510 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.370 -2.218 5.008 1.00 0.00 H new ATOM 677 N GLU A 44 9.806 -1.623 0.668 1.00 0.00 N ATOM 678 CA GLU A 44 10.384 -1.591 -0.670 1.00 0.00 C ATOM 679 C GLU A 44 9.483 -2.311 -1.669 1.00 0.00 C ATOM 680 O GLU A 44 8.729 -3.212 -1.305 1.00 0.00 O ATOM 681 CB GLU A 44 11.773 -2.233 -0.664 1.00 0.00 C ATOM 682 CG GLU A 44 12.640 -1.818 -1.841 1.00 0.00 C ATOM 683 CD GLU A 44 13.623 -2.898 -2.251 1.00 0.00 C ATOM 684 OE1 GLU A 44 13.172 -3.978 -2.685 1.00 0.00 O ATOM 685 OE2 GLU A 44 14.844 -2.661 -2.137 1.00 0.00 O ATOM 0 H GLU A 44 9.757 -2.553 1.085 1.00 0.00 H new ATOM 0 HA GLU A 44 10.474 -0.548 -0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.282 -1.969 0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.663 -3.317 -0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.001 -1.572 -2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.188 -0.912 -1.582 1.00 0.00 H new ATOM 692 N GLY A 45 9.569 -1.906 -2.933 1.00 0.00 N ATOM 693 CA GLY A 45 8.756 -2.521 -3.966 1.00 0.00 C ATOM 694 C GLY A 45 8.980 -1.897 -5.329 1.00 0.00 C ATOM 695 O GLY A 45 9.647 -0.870 -5.445 1.00 0.00 O ATOM 0 H GLY A 45 10.187 -1.163 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.982 -3.586 -4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.703 -2.431 -3.697 1.00 0.00 H new ATOM 699 N GLU A 46 8.421 -2.519 -6.362 1.00 0.00 N ATOM 700 CA GLU A 46 8.566 -2.017 -7.724 1.00 0.00 C ATOM 701 C GLU A 46 7.213 -1.606 -8.299 1.00 0.00 C ATOM 702 O GLU A 46 6.220 -2.318 -8.148 1.00 0.00 O ATOM 703 CB GLU A 46 9.210 -3.080 -8.616 1.00 0.00 C ATOM 704 CG GLU A 46 9.349 -2.653 -10.068 1.00 0.00 C ATOM 705 CD GLU A 46 9.475 -3.831 -11.014 1.00 0.00 C ATOM 706 OE1 GLU A 46 8.431 -4.402 -11.394 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.618 -4.183 -11.373 1.00 0.00 O ATOM 0 H GLU A 46 7.864 -3.370 -6.282 1.00 0.00 H new ATOM 0 HA GLU A 46 9.211 -1.139 -7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.196 -3.324 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.614 -3.991 -8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.482 -2.056 -10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.225 -2.013 -10.172 1.00 0.00 H new ATOM 798 N GLY A 52 11.972 1.904 -5.851 1.00 0.00 N ATOM 799 CA GLY A 52 12.122 2.969 -4.877 1.00 0.00 C ATOM 800 C GLY A 52 11.670 2.554 -3.491 1.00 0.00 C ATOM 801 O GLY A 52 11.774 1.383 -3.121 1.00 0.00 O ATOM 0 HA2 GLY A 52 13.167 3.277 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.546 3.836 -5.199 1.00 0.00 H new ATOM 805 N ILE A 53 11.168 3.514 -2.721 1.00 0.00 N ATOM 806 CA ILE A 53 10.700 3.241 -1.368 1.00 0.00 C ATOM 807 C ILE A 53 9.396 3.977 -1.079 1.00 0.00 C ATOM 808 O ILE A 53 9.192 5.103 -1.534 1.00 0.00 O ATOM 809 CB ILE A 53 11.750 3.647 -0.316 1.00 0.00 C ATOM 810 CG1 ILE A 53 12.167 5.105 -0.517 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.959 2.728 -0.394 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.901 5.692 0.668 1.00 0.00 C ATOM 0 H ILE A 53 11.075 4.487 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 53 10.530 2.166 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 53 11.308 3.549 0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.804 5.174 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.279 5.704 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.692 3.027 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.648 1.700 -0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.405 2.797 -1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.166 6.728 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.259 5.655 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.808 5.117 0.856 1.00 0.00 H new ATOM 824 N PHE A 54 8.517 3.334 -0.318 1.00 0.00 N ATOM 825 CA PHE A 54 7.232 3.928 0.034 1.00 0.00 C ATOM 826 C PHE A 54 6.810 3.518 1.442 1.00 0.00 C ATOM 827 O PHE A 54 7.218 2.480 1.962 1.00 0.00 O ATOM 828 CB PHE A 54 6.160 3.509 -0.974 1.00 0.00 C ATOM 829 CG PHE A 54 6.093 2.025 -1.196 1.00 0.00 C ATOM 830 CD1 PHE A 54 7.044 1.384 -1.973 1.00 0.00 C ATOM 831 CD2 PHE A 54 5.080 1.271 -0.626 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.984 0.019 -2.180 1.00 0.00 C ATOM 833 CE2 PHE A 54 5.015 -0.095 -0.829 1.00 0.00 C ATOM 834 CZ PHE A 54 5.969 -0.722 -1.606 1.00 0.00 C ATOM 0 H PHE A 54 8.671 2.402 0.067 1.00 0.00 H new ATOM 0 HA PHE A 54 7.342 5.012 0.008 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.189 3.860 -0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.355 4.002 -1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.841 1.958 -2.422 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.332 1.756 -0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.730 -0.468 -2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.219 -0.671 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.922 -1.789 -1.765 1.00 0.00 H new ATOM 844 N PRO A 55 5.974 4.354 2.075 1.00 0.00 N ATOM 845 CA PRO A 55 5.478 4.101 3.431 1.00 0.00 C ATOM 846 C PRO A 55 4.503 2.929 3.483 1.00 0.00 C ATOM 847 O PRO A 55 3.853 2.606 2.489 1.00 0.00 O ATOM 848 CB PRO A 55 4.766 5.405 3.798 1.00 0.00 C ATOM 849 CG PRO A 55 4.371 6.001 2.491 1.00 0.00 C ATOM 850 CD PRO A 55 5.446 5.610 1.516 1.00 0.00 C ATOM 0 HA PRO A 55 6.283 3.832 4.115 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.896 5.218 4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.424 6.072 4.355 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.398 5.628 2.170 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.288 7.085 2.566 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.045 5.466 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.220 6.374 1.444 1.00 0.00 H new ATOM 858 N ALA A 56 4.408 2.296 4.647 1.00 0.00 N ATOM 859 CA ALA A 56 3.510 1.161 4.829 1.00 0.00 C ATOM 860 C ALA A 56 2.074 1.626 5.046 1.00 0.00 C ATOM 861 O ALA A 56 1.163 1.210 4.333 1.00 0.00 O ATOM 862 CB ALA A 56 3.973 0.304 5.998 1.00 0.00 C ATOM 0 H ALA A 56 4.942 2.549 5.479 1.00 0.00 H new ATOM 0 HA ALA A 56 3.535 0.560 3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.294 -0.539 6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.979 -0.066 5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.978 0.903 6.909 1.00 0.00 H new ATOM 868 N ASN A 57 1.881 2.492 6.036 1.00 0.00 N ATOM 869 CA ASN A 57 0.555 3.013 6.348 1.00 0.00 C ATOM 870 C ASN A 57 -0.222 3.323 5.072 1.00 0.00 C ATOM 871 O ASN A 57 -1.353 2.870 4.896 1.00 0.00 O ATOM 872 CB ASN A 57 0.669 4.273 7.208 1.00 0.00 C ATOM 873 CG ASN A 57 -0.604 5.097 7.197 1.00 0.00 C ATOM 874 OD1 ASN A 57 -1.521 4.855 7.983 1.00 0.00 O ATOM 875 ND2 ASN A 57 -0.667 6.077 6.303 1.00 0.00 N ATOM 0 H ASN A 57 2.626 2.847 6.636 1.00 0.00 H new ATOM 0 HA ASN A 57 0.013 2.249 6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.906 3.990 8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.497 4.883 6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.499 6.665 6.248 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.117 6.242 5.671 1.00 0.00 H new ATOM 882 N TYR A 58 0.394 4.097 4.185 1.00 0.00 N ATOM 883 CA TYR A 58 -0.240 4.469 2.926 1.00 0.00 C ATOM 884 C TYR A 58 -1.061 3.312 2.366 1.00 0.00 C ATOM 885 O TYR A 58 -2.144 3.513 1.815 1.00 0.00 O ATOM 886 CB TYR A 58 0.816 4.900 1.907 1.00 0.00 C ATOM 887 CG TYR A 58 1.123 6.380 1.940 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.718 6.961 3.053 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.816 7.198 0.860 1.00 0.00 C ATOM 890 CE1 TYR A 58 1.999 8.313 3.089 1.00 0.00 C ATOM 891 CE2 TYR A 58 1.095 8.550 0.886 1.00 0.00 C ATOM 892 CZ TYR A 58 1.686 9.103 2.003 1.00 0.00 C ATOM 893 OH TYR A 58 1.964 10.451 2.034 1.00 0.00 O ATOM 0 H TYR A 58 1.331 4.479 4.315 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.911 5.306 3.120 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.735 4.343 2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.475 4.631 0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.965 6.345 3.905 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.351 6.769 -0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.461 8.749 3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.852 9.171 0.037 1.00 0.00 H new ATOM 0 HH TYR A 58 1.682 10.863 1.190 1.00 0.00 H new ATOM 903 N VAL A 59 -0.538 2.099 2.512 1.00 0.00 N ATOM 904 CA VAL A 59 -1.222 0.907 2.023 1.00 0.00 C ATOM 905 C VAL A 59 -1.546 -0.048 3.166 1.00 0.00 C ATOM 906 O VAL A 59 -0.800 -0.140 4.141 1.00 0.00 O ATOM 907 CB VAL A 59 -0.375 0.165 0.972 1.00 0.00 C ATOM 908 CG1 VAL A 59 -0.065 1.078 -0.205 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.905 -0.365 1.599 1.00 0.00 C ATOM 0 H VAL A 59 0.357 1.915 2.965 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.150 1.242 1.559 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.949 -0.684 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.534 0.537 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.996 1.404 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.490 1.948 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.492 -0.887 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.485 0.466 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.657 -1.055 2.405 1.00 0.00 H new ATOM 919 N GLU A 60 -2.662 -0.758 3.038 1.00 0.00 N ATOM 920 CA GLU A 60 -3.084 -1.707 4.062 1.00 0.00 C ATOM 921 C GLU A 60 -3.752 -2.926 3.431 1.00 0.00 C ATOM 922 O GLU A 60 -4.463 -2.812 2.433 1.00 0.00 O ATOM 923 CB GLU A 60 -4.046 -1.037 5.045 1.00 0.00 C ATOM 924 CG GLU A 60 -4.382 -1.898 6.251 1.00 0.00 C ATOM 925 CD GLU A 60 -3.388 -1.728 7.384 1.00 0.00 C ATOM 926 OE1 GLU A 60 -3.034 -0.571 7.692 1.00 0.00 O ATOM 927 OE2 GLU A 60 -2.965 -2.751 7.961 1.00 0.00 O ATOM 0 H GLU A 60 -3.290 -0.694 2.237 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.197 -2.038 4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.607 -0.101 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.968 -0.783 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.380 -1.644 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.408 -2.945 5.949 1.00 0.00 H new ATOM 934 N VAL A 61 -3.516 -4.094 4.021 1.00 0.00 N ATOM 935 CA VAL A 61 -4.094 -5.335 3.519 1.00 0.00 C ATOM 936 C VAL A 61 -5.613 -5.239 3.434 1.00 0.00 C ATOM 937 O VAL A 61 -6.301 -5.189 4.455 1.00 0.00 O ATOM 938 CB VAL A 61 -3.715 -6.532 4.411 1.00 0.00 C ATOM 939 CG1 VAL A 61 -4.369 -7.807 3.900 1.00 0.00 C ATOM 940 CG2 VAL A 61 -2.204 -6.688 4.478 1.00 0.00 C ATOM 0 H VAL A 61 -2.928 -4.206 4.847 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.687 -5.493 2.520 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.083 -6.343 5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.090 -8.642 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.453 -7.689 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.034 -8.005 2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.954 -7.538 5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.811 -6.855 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.763 -5.782 4.894 1.00 0.00 H new