USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 495 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -110:sc= -0.981 (180deg=-1.11) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= -0.253 (180deg=-0.925) USER MOD Single : A 33 LYS NZ :NH3+ -134:sc= -1.43 (180deg=-7.14!) USER MOD Single : A 34 CYS SG : rot -170:sc= -1.56 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -0.0916 (180deg=-0.459) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.276) USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= -0.0193 (180deg=-0.179) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -149:sc= -0.124 (180deg=-0.93) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -7.082 -0.841 7.364 1.00 0.00 N ATOM 94 CA LEU A 7 -6.409 -0.688 6.079 1.00 0.00 C ATOM 95 C LEU A 7 -4.990 -0.155 6.258 1.00 0.00 C ATOM 96 O LEU A 7 -4.110 -0.420 5.438 1.00 0.00 O ATOM 97 CB LEU A 7 -7.208 0.258 5.181 1.00 0.00 C ATOM 98 CG LEU A 7 -7.243 -0.124 3.701 1.00 0.00 C ATOM 99 CD1 LEU A 7 -7.988 0.929 2.895 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.832 -0.306 3.166 1.00 0.00 C ATOM 0 HA LEU A 7 -6.347 -1.670 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.232 0.307 5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.788 1.260 5.271 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.774 -1.071 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.003 0.640 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.011 1.012 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.485 1.890 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.875 -0.578 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.277 0.626 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.330 -1.097 3.724 1.00 0.00 H new ATOM 112 N GLU A 8 -4.774 0.601 7.329 1.00 0.00 N ATOM 113 CA GLU A 8 -3.463 1.179 7.606 1.00 0.00 C ATOM 114 C GLU A 8 -2.504 0.137 8.178 1.00 0.00 C ATOM 115 O GLU A 8 -1.302 0.184 7.921 1.00 0.00 O ATOM 116 CB GLU A 8 -3.598 2.352 8.577 1.00 0.00 C ATOM 117 CG GLU A 8 -4.402 3.513 8.016 1.00 0.00 C ATOM 118 CD GLU A 8 -4.801 4.515 9.083 1.00 0.00 C ATOM 119 OE1 GLU A 8 -4.908 4.117 10.261 1.00 0.00 O ATOM 120 OE2 GLU A 8 -5.006 5.698 8.738 1.00 0.00 O ATOM 0 H GLU A 8 -5.489 0.828 8.020 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.050 1.537 6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.072 2.002 9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.603 2.706 8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.816 4.019 7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.299 3.128 7.530 1.00 0.00 H new ATOM 127 N GLU A 9 -3.040 -0.800 8.953 1.00 0.00 N ATOM 128 CA GLU A 9 -2.221 -1.845 9.559 1.00 0.00 C ATOM 129 C GLU A 9 -1.797 -2.883 8.521 1.00 0.00 C ATOM 130 O GLU A 9 -0.785 -3.564 8.689 1.00 0.00 O ATOM 131 CB GLU A 9 -2.982 -2.523 10.703 1.00 0.00 C ATOM 132 CG GLU A 9 -4.139 -3.397 10.243 1.00 0.00 C ATOM 133 CD GLU A 9 -4.111 -4.778 10.869 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.370 -5.646 10.360 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.830 -4.992 11.868 1.00 0.00 O ATOM 0 H GLU A 9 -4.034 -0.858 9.176 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.322 -1.377 9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.285 -3.133 11.278 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.365 -1.756 11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.081 -2.908 10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.108 -3.493 9.158 1.00 0.00 H new ATOM 142 N LYS A 10 -2.577 -3.000 7.451 1.00 0.00 N ATOM 143 CA LYS A 10 -2.282 -3.955 6.389 1.00 0.00 C ATOM 144 C LYS A 10 -1.052 -3.524 5.595 1.00 0.00 C ATOM 145 O LYS A 10 -0.115 -4.301 5.411 1.00 0.00 O ATOM 146 CB LYS A 10 -3.488 -4.097 5.457 1.00 0.00 C ATOM 147 CG LYS A 10 -4.063 -5.503 5.417 1.00 0.00 C ATOM 148 CD LYS A 10 -4.728 -5.797 4.082 1.00 0.00 C ATOM 149 CE LYS A 10 -5.020 -7.280 3.919 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.353 -7.519 3.300 1.00 0.00 N ATOM 0 H LYS A 10 -3.419 -2.445 7.297 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.071 -4.921 6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.267 -3.404 5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.194 -3.805 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.268 -6.227 5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.790 -5.623 6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.657 -5.232 4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.082 -5.461 3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.246 -7.737 3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.980 -7.767 4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.514 -8.542 3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.094 -7.106 3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.383 -7.076 2.359 1.00 0.00 H new ATOM 164 N VAL A 11 -1.064 -2.280 5.129 1.00 0.00 N ATOM 165 CA VAL A 11 0.047 -1.740 4.354 1.00 0.00 C ATOM 166 C VAL A 11 1.322 -1.678 5.186 1.00 0.00 C ATOM 167 O VAL A 11 2.423 -1.775 4.653 1.00 0.00 O ATOM 168 CB VAL A 11 -0.272 -0.332 3.814 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.827 0.148 2.878 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.622 -0.324 3.111 1.00 0.00 C ATOM 0 H VAL A 11 -1.833 -1.625 5.275 1.00 0.00 H new ATOM 0 HA VAL A 11 0.200 -2.416 3.512 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.321 0.356 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.581 1.144 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.774 0.184 3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.915 -0.540 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.831 0.678 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.603 -1.026 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.401 -0.618 3.815 1.00 0.00 H new ATOM 180 N LYS A 12 1.162 -1.514 6.491 1.00 0.00 N ATOM 181 CA LYS A 12 2.298 -1.437 7.407 1.00 0.00 C ATOM 182 C LYS A 12 3.186 -2.669 7.277 1.00 0.00 C ATOM 183 O LYS A 12 4.412 -2.570 7.326 1.00 0.00 O ATOM 184 CB LYS A 12 1.808 -1.292 8.850 1.00 0.00 C ATOM 185 CG LYS A 12 2.932 -1.222 9.872 1.00 0.00 C ATOM 186 CD LYS A 12 2.990 -2.478 10.728 1.00 0.00 C ATOM 187 CE LYS A 12 3.433 -2.167 12.148 1.00 0.00 C ATOM 188 NZ LYS A 12 4.865 -2.510 12.371 1.00 0.00 N ATOM 0 H LYS A 12 0.252 -1.431 6.944 1.00 0.00 H new ATOM 0 HA LYS A 12 2.888 -0.559 7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.200 -0.391 8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.161 -2.135 9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.884 -1.087 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.789 -0.351 10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.008 -2.951 10.748 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.680 -3.193 10.279 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.277 -1.108 12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.813 -2.722 12.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.128 -2.283 13.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.009 -3.526 12.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.459 -1.961 11.717 1.00 0.00 H new ATOM 202 N ALA A 13 2.561 -3.827 7.088 1.00 0.00 N ATOM 203 CA ALA A 13 3.304 -5.072 6.925 1.00 0.00 C ATOM 204 C ALA A 13 3.847 -5.157 5.506 1.00 0.00 C ATOM 205 O ALA A 13 4.888 -5.762 5.250 1.00 0.00 O ATOM 206 CB ALA A 13 2.415 -6.268 7.233 1.00 0.00 C ATOM 0 H ALA A 13 1.547 -3.929 7.044 1.00 0.00 H new ATOM 0 HA ALA A 13 4.139 -5.085 7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.986 -7.188 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.058 -6.201 8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.563 -6.273 6.553 1.00 0.00 H new ATOM 212 N LEU A 14 3.122 -4.522 4.594 1.00 0.00 N ATOM 213 CA LEU A 14 3.487 -4.473 3.190 1.00 0.00 C ATOM 214 C LEU A 14 4.858 -3.817 3.007 1.00 0.00 C ATOM 215 O LEU A 14 5.551 -4.061 2.021 1.00 0.00 O ATOM 216 CB LEU A 14 2.413 -3.689 2.432 1.00 0.00 C ATOM 217 CG LEU A 14 2.281 -4.008 0.943 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.030 -3.354 0.376 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.512 -3.552 0.180 1.00 0.00 C ATOM 0 H LEU A 14 2.259 -4.024 4.812 1.00 0.00 H new ATOM 0 HA LEU A 14 3.551 -5.487 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.451 -3.873 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.624 -2.625 2.539 1.00 0.00 H new ATOM 0 HG LEU A 14 2.195 -5.089 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.946 -3.588 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.152 -3.731 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.094 -2.274 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.394 -3.790 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.635 -2.475 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.392 -4.063 0.571 1.00 0.00 H new ATOM 231 N GLU A 15 5.232 -2.974 3.967 1.00 0.00 N ATOM 232 CA GLU A 15 6.505 -2.265 3.925 1.00 0.00 C ATOM 233 C GLU A 15 7.662 -3.177 4.330 1.00 0.00 C ATOM 234 O GLU A 15 8.719 -3.169 3.701 1.00 0.00 O ATOM 235 CB GLU A 15 6.442 -1.041 4.846 1.00 0.00 C ATOM 236 CG GLU A 15 7.787 -0.378 5.092 1.00 0.00 C ATOM 237 CD GLU A 15 7.672 0.884 5.926 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.704 1.645 5.719 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.550 1.109 6.784 1.00 0.00 O ATOM 0 H GLU A 15 4.665 -2.765 4.789 1.00 0.00 H new ATOM 0 HA GLU A 15 6.685 -1.939 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.762 -0.308 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.017 -1.342 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.449 -1.083 5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.249 -0.136 4.135 1.00 0.00 H new ATOM 246 N GLU A 16 7.457 -3.959 5.386 1.00 0.00 N ATOM 247 CA GLU A 16 8.488 -4.871 5.875 1.00 0.00 C ATOM 248 C GLU A 16 9.018 -5.758 4.751 1.00 0.00 C ATOM 249 O GLU A 16 10.182 -6.159 4.760 1.00 0.00 O ATOM 250 CB GLU A 16 7.932 -5.741 7.004 1.00 0.00 C ATOM 251 CG GLU A 16 7.519 -4.950 8.235 1.00 0.00 C ATOM 252 CD GLU A 16 8.693 -4.623 9.138 1.00 0.00 C ATOM 253 OE1 GLU A 16 9.687 -5.378 9.116 1.00 0.00 O ATOM 254 OE2 GLU A 16 8.616 -3.614 9.869 1.00 0.00 O ATOM 0 H GLU A 16 6.588 -3.980 5.919 1.00 0.00 H new ATOM 0 HA GLU A 16 9.314 -4.270 6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.070 -6.296 6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.685 -6.475 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.037 -4.024 7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.780 -5.520 8.798 1.00 0.00 H new ATOM 261 N LYS A 17 8.155 -6.063 3.788 1.00 0.00 N ATOM 262 CA LYS A 17 8.534 -6.906 2.658 1.00 0.00 C ATOM 263 C LYS A 17 9.385 -6.135 1.652 1.00 0.00 C ATOM 264 O LYS A 17 10.312 -6.686 1.059 1.00 0.00 O ATOM 265 CB LYS A 17 7.284 -7.457 1.970 1.00 0.00 C ATOM 266 CG LYS A 17 7.500 -8.808 1.308 1.00 0.00 C ATOM 267 CD LYS A 17 6.252 -9.277 0.575 1.00 0.00 C ATOM 268 CE LYS A 17 5.953 -10.740 0.863 1.00 0.00 C ATOM 269 NZ LYS A 17 4.679 -11.182 0.230 1.00 0.00 N ATOM 0 H LYS A 17 7.188 -5.739 3.767 1.00 0.00 H new ATOM 0 HA LYS A 17 9.130 -7.734 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.484 -7.546 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.948 -6.743 1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.332 -8.742 0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.778 -9.544 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.401 -8.665 0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.384 -9.136 -0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.773 -11.357 0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.895 -10.893 1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.965 -11.349 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.340 -10.444 -0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.842 -12.062 -0.300 1.00 0.00 H new ATOM 283 N VAL A 18 9.059 -4.861 1.457 1.00 0.00 N ATOM 284 CA VAL A 18 9.789 -4.021 0.516 1.00 0.00 C ATOM 285 C VAL A 18 11.114 -3.545 1.099 1.00 0.00 C ATOM 286 O VAL A 18 12.169 -3.716 0.489 1.00 0.00 O ATOM 287 CB VAL A 18 8.966 -2.792 0.107 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.646 -2.045 -1.030 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.551 -3.195 -0.281 1.00 0.00 C ATOM 0 H VAL A 18 8.294 -4.388 1.938 1.00 0.00 H new ATOM 0 HA VAL A 18 9.982 -4.639 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 18 8.904 -2.122 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.047 -1.177 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.635 -1.716 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.745 -2.705 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.986 -2.308 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.588 -3.889 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.065 -3.677 0.567 1.00 0.00 H new ATOM 299 N LYS A 19 11.052 -2.937 2.281 1.00 0.00 N ATOM 300 CA LYS A 19 12.248 -2.424 2.942 1.00 0.00 C ATOM 301 C LYS A 19 13.355 -3.476 2.992 1.00 0.00 C ATOM 302 O LYS A 19 14.540 -3.143 2.980 1.00 0.00 O ATOM 303 CB LYS A 19 11.912 -1.959 4.359 1.00 0.00 C ATOM 304 CG LYS A 19 11.188 -0.623 4.402 1.00 0.00 C ATOM 305 CD LYS A 19 11.743 0.279 5.493 1.00 0.00 C ATOM 306 CE LYS A 19 12.730 1.290 4.933 1.00 0.00 C ATOM 307 NZ LYS A 19 12.076 2.589 4.611 1.00 0.00 N ATOM 0 H LYS A 19 10.187 -2.788 2.800 1.00 0.00 H new ATOM 0 HA LYS A 19 12.610 -1.577 2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.294 -2.714 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.833 -1.883 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.281 -0.127 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.125 -0.790 4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.924 0.803 5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.235 -0.328 6.253 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.529 1.456 5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.193 0.885 4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.784 3.250 4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.331 2.436 3.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.656 2.989 5.474 1.00 0.00 H new ATOM 321 N ALA A 20 12.962 -4.744 3.049 1.00 0.00 N ATOM 322 CA ALA A 20 13.924 -5.841 3.103 1.00 0.00 C ATOM 323 C ALA A 20 14.301 -6.323 1.702 1.00 0.00 C ATOM 324 O ALA A 20 15.262 -7.073 1.533 1.00 0.00 O ATOM 325 CB ALA A 20 13.363 -6.992 3.924 1.00 0.00 C ATOM 0 H ALA A 20 11.985 -5.038 3.059 1.00 0.00 H new ATOM 0 HA ALA A 20 14.830 -5.469 3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.090 -7.804 3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.156 -6.649 4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.440 -7.349 3.467 1.00 0.00 H new ATOM 331 N LEU A 21 13.537 -5.890 0.704 1.00 0.00 N ATOM 332 CA LEU A 21 13.788 -6.275 -0.678 1.00 0.00 C ATOM 333 C LEU A 21 15.121 -5.717 -1.168 1.00 0.00 C ATOM 334 O LEU A 21 16.072 -6.464 -1.396 1.00 0.00 O ATOM 335 CB LEU A 21 12.649 -5.776 -1.567 1.00 0.00 C ATOM 336 CG LEU A 21 12.143 -6.779 -2.603 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.913 -6.236 -3.311 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.239 -7.109 -3.606 1.00 0.00 C ATOM 0 H LEU A 21 12.737 -5.270 0.829 1.00 0.00 H new ATOM 0 HA LEU A 21 13.838 -7.363 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.814 -5.484 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.983 -4.878 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 21 11.864 -7.698 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.566 -6.963 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.125 -6.052 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.165 -5.303 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.861 -7.825 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.550 -6.198 -4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.093 -7.541 -3.083 1.00 0.00 H new ATOM 371 N GLY A 25 14.462 -0.410 -9.963 1.00 0.00 N ATOM 372 CA GLY A 25 13.554 -1.008 -10.924 1.00 0.00 C ATOM 373 C GLY A 25 12.132 -1.094 -10.405 1.00 0.00 C ATOM 374 O GLY A 25 11.541 -0.083 -10.026 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.567 -0.423 -11.844 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.906 -2.008 -11.178 1.00 0.00 H new ATOM 378 N ARG A 26 11.582 -2.304 -10.389 1.00 0.00 N ATOM 379 CA ARG A 26 10.220 -2.518 -9.913 1.00 0.00 C ATOM 380 C ARG A 26 10.063 -2.047 -8.470 1.00 0.00 C ATOM 381 O ARG A 26 8.971 -1.674 -8.044 1.00 0.00 O ATOM 382 CB ARG A 26 9.835 -3.999 -10.034 1.00 0.00 C ATOM 383 CG ARG A 26 10.433 -4.887 -8.952 1.00 0.00 C ATOM 384 CD ARG A 26 11.942 -4.993 -9.088 1.00 0.00 C ATOM 385 NE ARG A 26 12.478 -6.144 -8.363 1.00 0.00 N ATOM 386 CZ ARG A 26 13.778 -6.369 -8.187 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.677 -5.527 -8.682 1.00 0.00 N ATOM 388 NH2 ARG A 26 14.180 -7.439 -7.515 1.00 0.00 N ATOM 0 H ARG A 26 12.058 -3.151 -10.700 1.00 0.00 H new ATOM 0 HA ARG A 26 9.549 -1.929 -10.538 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.749 -4.085 -10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.154 -4.368 -11.009 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.183 -4.484 -7.970 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.991 -5.882 -9.011 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.206 -5.074 -10.142 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.405 -4.080 -8.712 1.00 0.00 H new ATOM 0 HE ARG A 26 11.817 -6.814 -7.969 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.373 -4.703 -9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.672 -5.704 -8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.493 -8.089 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.176 -7.612 -7.380 1.00 0.00 H new ATOM 402 N ILE A 27 11.159 -2.076 -7.719 1.00 0.00 N ATOM 403 CA ILE A 27 11.143 -1.661 -6.322 1.00 0.00 C ATOM 404 C ILE A 27 10.966 -0.150 -6.189 1.00 0.00 C ATOM 405 O ILE A 27 10.423 0.332 -5.197 1.00 0.00 O ATOM 406 CB ILE A 27 12.437 -2.083 -5.596 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.668 -3.587 -5.751 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.368 -1.706 -4.122 1.00 0.00 C ATOM 409 CD1 ILE A 27 14.096 -4.010 -5.481 1.00 0.00 C ATOM 0 H ILE A 27 12.071 -2.383 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 27 10.293 -2.160 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 27 13.276 -1.554 -6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.005 -4.120 -5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.394 -3.886 -6.763 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.289 -2.011 -3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.245 -0.627 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.521 -2.210 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 27 14.186 -5.089 -5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.763 -3.504 -6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.368 -3.742 -4.460 1.00 0.00 H new ATOM 421 N GLU A 28 11.445 0.592 -7.182 1.00 0.00 N ATOM 422 CA GLU A 28 11.354 2.050 -7.164 1.00 0.00 C ATOM 423 C GLU A 28 9.903 2.529 -7.199 1.00 0.00 C ATOM 424 O GLU A 28 9.472 3.280 -6.326 1.00 0.00 O ATOM 425 CB GLU A 28 12.123 2.639 -8.348 1.00 0.00 C ATOM 426 CG GLU A 28 12.139 4.159 -8.366 1.00 0.00 C ATOM 427 CD GLU A 28 11.947 4.728 -9.758 1.00 0.00 C ATOM 428 OE1 GLU A 28 10.797 4.732 -10.246 1.00 0.00 O ATOM 429 OE2 GLU A 28 12.947 5.167 -10.363 1.00 0.00 O ATOM 0 H GLU A 28 11.901 0.209 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 28 11.798 2.396 -6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.149 2.273 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.679 2.277 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.352 4.535 -7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.087 4.513 -7.960 1.00 0.00 H new ATOM 436 N GLU A 29 9.157 2.104 -8.215 1.00 0.00 N ATOM 437 CA GLU A 29 7.759 2.507 -8.360 1.00 0.00 C ATOM 438 C GLU A 29 6.929 2.078 -7.153 1.00 0.00 C ATOM 439 O GLU A 29 6.043 2.806 -6.706 1.00 0.00 O ATOM 440 CB GLU A 29 7.164 1.904 -9.638 1.00 0.00 C ATOM 441 CG GLU A 29 5.680 2.194 -9.821 1.00 0.00 C ATOM 442 CD GLU A 29 5.393 2.995 -11.077 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.118 3.978 -11.334 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.442 2.637 -11.804 1.00 0.00 O ATOM 0 H GLU A 29 9.495 1.482 -8.949 1.00 0.00 H new ATOM 0 HA GLU A 29 7.731 3.595 -8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.709 2.291 -10.499 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.315 0.825 -9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.132 1.253 -9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.311 2.741 -8.953 1.00 0.00 H new ATOM 451 N LEU A 30 7.217 0.890 -6.640 1.00 0.00 N ATOM 452 CA LEU A 30 6.494 0.350 -5.495 1.00 0.00 C ATOM 453 C LEU A 30 6.776 1.142 -4.220 1.00 0.00 C ATOM 454 O LEU A 30 6.004 1.084 -3.268 1.00 0.00 O ATOM 455 CB LEU A 30 6.862 -1.119 -5.285 1.00 0.00 C ATOM 456 CG LEU A 30 6.495 -2.047 -6.442 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.117 -3.420 -6.245 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.984 -2.159 -6.575 1.00 0.00 C ATOM 0 H LEU A 30 7.950 0.279 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 30 5.429 0.433 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.936 -1.188 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.368 -1.476 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 30 6.892 -1.621 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.844 -4.066 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.202 -3.325 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.752 -3.855 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.740 -2.824 -7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.566 -2.561 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.561 -1.172 -6.765 1.00 0.00 H new ATOM 470 N LYS A 31 7.892 1.862 -4.198 1.00 0.00 N ATOM 471 CA LYS A 31 8.274 2.643 -3.025 1.00 0.00 C ATOM 472 C LYS A 31 7.461 3.931 -2.908 1.00 0.00 C ATOM 473 O LYS A 31 6.787 4.153 -1.908 1.00 0.00 O ATOM 474 CB LYS A 31 9.767 2.976 -3.082 1.00 0.00 C ATOM 475 CG LYS A 31 10.258 3.779 -1.888 1.00 0.00 C ATOM 476 CD LYS A 31 11.644 3.334 -1.446 1.00 0.00 C ATOM 477 CE LYS A 31 11.670 2.967 0.029 1.00 0.00 C ATOM 478 NZ LYS A 31 13.058 2.919 0.565 1.00 0.00 N ATOM 0 H LYS A 31 8.548 1.922 -4.977 1.00 0.00 H new ATOM 0 HA LYS A 31 8.065 2.037 -2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.335 2.048 -3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.971 3.536 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.280 4.838 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.558 3.666 -1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.958 2.476 -2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.361 4.133 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.088 3.694 0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.193 1.997 0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.032 2.665 1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.607 2.207 0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.505 3.851 0.454 1.00 0.00 H new ATOM 492 N LYS A 32 7.540 4.781 -3.924 1.00 0.00 N ATOM 493 CA LYS A 32 6.820 6.054 -3.921 1.00 0.00 C ATOM 494 C LYS A 32 5.331 5.863 -3.629 1.00 0.00 C ATOM 495 O LYS A 32 4.737 6.625 -2.867 1.00 0.00 O ATOM 496 CB LYS A 32 7.000 6.762 -5.266 1.00 0.00 C ATOM 497 CG LYS A 32 7.561 8.169 -5.143 1.00 0.00 C ATOM 498 CD LYS A 32 8.080 8.680 -6.478 1.00 0.00 C ATOM 499 CE LYS A 32 7.021 9.483 -7.216 1.00 0.00 C ATOM 500 NZ LYS A 32 5.819 8.661 -7.531 1.00 0.00 N ATOM 0 H LYS A 32 8.096 4.614 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 32 7.240 6.669 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.665 6.168 -5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.037 6.807 -5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.786 8.840 -4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.368 8.177 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.961 9.301 -6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.395 7.838 -7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.726 10.339 -6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.443 9.878 -8.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.293 9.101 -8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.116 7.704 -7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.208 8.603 -6.691 1.00 0.00 H new ATOM 514 N LYS A 33 4.737 4.853 -4.249 1.00 0.00 N ATOM 515 CA LYS A 33 3.315 4.567 -4.072 1.00 0.00 C ATOM 516 C LYS A 33 3.027 3.924 -2.715 1.00 0.00 C ATOM 517 O LYS A 33 1.909 4.003 -2.211 1.00 0.00 O ATOM 518 CB LYS A 33 2.817 3.656 -5.195 1.00 0.00 C ATOM 519 CG LYS A 33 1.394 3.956 -5.635 1.00 0.00 C ATOM 520 CD LYS A 33 0.801 2.807 -6.434 1.00 0.00 C ATOM 521 CE LYS A 33 0.744 1.529 -5.612 1.00 0.00 C ATOM 522 NZ LYS A 33 -0.390 0.655 -6.018 1.00 0.00 N ATOM 0 H LYS A 33 5.218 4.214 -4.882 1.00 0.00 H new ATOM 0 HA LYS A 33 2.783 5.518 -4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.482 3.754 -6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.875 2.619 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.775 4.148 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.383 4.863 -6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.203 3.073 -6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.399 2.639 -7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.681 0.983 -5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.647 1.781 -4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.888 0.317 -5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.049 1.196 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.026 -0.159 -6.554 1.00 0.00 H new ATOM 536 N CYS A 34 4.028 3.265 -2.144 1.00 0.00 N ATOM 537 CA CYS A 34 3.870 2.584 -0.859 1.00 0.00 C ATOM 538 C CYS A 34 3.548 3.553 0.280 1.00 0.00 C ATOM 539 O CYS A 34 2.534 3.406 0.962 1.00 0.00 O ATOM 540 CB CYS A 34 5.151 1.819 -0.522 1.00 0.00 C ATOM 541 SG CYS A 34 4.896 0.049 -0.185 1.00 0.00 S ATOM 0 H CYS A 34 4.961 3.186 -2.549 1.00 0.00 H new ATOM 0 HA CYS A 34 3.028 1.898 -0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.851 1.922 -1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.618 2.280 0.349 1.00 0.00 H new ATOM 0 HG CYS A 34 5.992 -0.464 0.291 1.00 0.00 H new ATOM 546 N GLU A 35 4.428 4.525 0.497 1.00 0.00 N ATOM 547 CA GLU A 35 4.246 5.494 1.572 1.00 0.00 C ATOM 548 C GLU A 35 3.087 6.443 1.289 1.00 0.00 C ATOM 549 O GLU A 35 2.207 6.618 2.127 1.00 0.00 O ATOM 550 CB GLU A 35 5.533 6.291 1.803 1.00 0.00 C ATOM 551 CG GLU A 35 6.141 6.839 0.528 1.00 0.00 C ATOM 552 CD GLU A 35 6.445 8.322 0.613 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.596 9.073 1.136 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.534 8.732 0.158 1.00 0.00 O ATOM 0 H GLU A 35 5.274 4.663 -0.057 1.00 0.00 H new ATOM 0 HA GLU A 35 4.006 4.934 2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.322 7.118 2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.263 5.651 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.060 6.296 0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.457 6.660 -0.302 1.00 0.00 H new ATOM 561 N GLU A 36 3.086 7.052 0.109 1.00 0.00 N ATOM 562 CA GLU A 36 2.027 7.980 -0.273 1.00 0.00 C ATOM 563 C GLU A 36 0.651 7.356 -0.053 1.00 0.00 C ATOM 564 O GLU A 36 -0.334 8.055 0.182 1.00 0.00 O ATOM 565 CB GLU A 36 2.185 8.395 -1.736 1.00 0.00 C ATOM 566 CG GLU A 36 1.406 9.648 -2.102 1.00 0.00 C ATOM 567 CD GLU A 36 0.711 9.531 -3.444 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.284 8.412 -3.796 1.00 0.00 O ATOM 569 OE2 GLU A 36 0.593 10.560 -4.143 1.00 0.00 O ATOM 0 H GLU A 36 3.807 6.920 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 36 2.109 8.865 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.242 8.560 -1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.858 7.575 -2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.664 9.849 -1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.085 10.501 -2.122 1.00 0.00 H new ATOM 576 N LEU A 37 0.599 6.034 -0.144 1.00 0.00 N ATOM 577 CA LEU A 37 -0.644 5.292 0.030 1.00 0.00 C ATOM 578 C LEU A 37 -1.112 5.320 1.485 1.00 0.00 C ATOM 579 O LEU A 37 -2.304 5.469 1.757 1.00 0.00 O ATOM 580 CB LEU A 37 -0.447 3.846 -0.438 1.00 0.00 C ATOM 581 CG LEU A 37 -1.532 2.852 -0.013 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.920 3.393 -0.330 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.316 1.510 -0.693 1.00 0.00 C ATOM 0 H LEU A 37 1.411 5.448 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.417 5.769 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.384 3.842 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.512 3.490 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.462 2.712 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.673 2.669 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.076 4.330 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.006 3.568 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.095 0.814 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.357 1.639 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.341 1.112 -0.412 1.00 0.00 H new ATOM 595 N LYS A 38 -0.174 5.162 2.412 1.00 0.00 N ATOM 596 CA LYS A 38 -0.498 5.155 3.836 1.00 0.00 C ATOM 597 C LYS A 38 -1.123 6.479 4.279 1.00 0.00 C ATOM 598 O LYS A 38 -2.239 6.504 4.797 1.00 0.00 O ATOM 599 CB LYS A 38 0.759 4.870 4.662 1.00 0.00 C ATOM 600 CG LYS A 38 0.692 3.564 5.438 1.00 0.00 C ATOM 601 CD LYS A 38 1.282 3.710 6.831 1.00 0.00 C ATOM 602 CE LYS A 38 2.773 3.412 6.840 1.00 0.00 C ATOM 603 NZ LYS A 38 3.246 2.979 8.183 1.00 0.00 N ATOM 0 H LYS A 38 0.817 5.037 2.204 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.230 4.365 4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.623 4.845 3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.919 5.691 5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.345 3.238 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.231 2.789 4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.110 4.723 7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.771 3.034 7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.992 2.633 6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.323 4.301 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.267 2.786 8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.061 3.732 8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.741 2.116 8.467 1.00 0.00 H new ATOM 617 N LYS A 39 -0.396 7.573 4.076 1.00 0.00 N ATOM 618 CA LYS A 39 -0.875 8.898 4.459 1.00 0.00 C ATOM 619 C LYS A 39 -2.257 9.180 3.874 1.00 0.00 C ATOM 620 O LYS A 39 -3.035 9.949 4.437 1.00 0.00 O ATOM 621 CB LYS A 39 0.118 9.971 4.003 1.00 0.00 C ATOM 622 CG LYS A 39 0.159 10.169 2.496 1.00 0.00 C ATOM 623 CD LYS A 39 1.524 10.649 2.033 1.00 0.00 C ATOM 624 CE LYS A 39 1.896 11.977 2.675 1.00 0.00 C ATOM 625 NZ LYS A 39 2.543 12.901 1.702 1.00 0.00 N ATOM 0 H LYS A 39 0.530 7.569 3.647 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.957 8.924 5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.141 10.918 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.115 9.702 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.086 9.231 1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.601 10.893 2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.277 9.901 2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.525 10.755 0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.001 12.447 3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.572 11.799 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.781 13.795 2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.411 12.463 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.889 13.091 0.916 1.00 0.00 H new ATOM 639 N LYS A 40 -2.554 8.554 2.741 1.00 0.00 N ATOM 640 CA LYS A 40 -3.840 8.741 2.079 1.00 0.00 C ATOM 641 C LYS A 40 -4.969 8.088 2.872 1.00 0.00 C ATOM 642 O LYS A 40 -6.124 8.498 2.769 1.00 0.00 O ATOM 643 CB LYS A 40 -3.798 8.167 0.663 1.00 0.00 C ATOM 644 CG LYS A 40 -4.963 8.609 -0.207 1.00 0.00 C ATOM 645 CD LYS A 40 -4.879 10.089 -0.544 1.00 0.00 C ATOM 646 CE LYS A 40 -3.704 10.386 -1.461 1.00 0.00 C ATOM 647 NZ LYS A 40 -3.793 9.629 -2.740 1.00 0.00 N ATOM 0 H LYS A 40 -1.922 7.913 2.262 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.035 9.812 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.865 8.467 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.791 7.079 0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.972 8.025 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.901 8.405 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.805 10.407 -1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.780 10.667 0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.670 11.455 -1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.774 10.132 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.169 10.068 -3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.498 8.644 -2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.774 9.645 -3.086 1.00 0.00 H new ATOM 661 N ILE A 41 -4.634 7.070 3.658 1.00 0.00 N ATOM 662 CA ILE A 41 -5.631 6.369 4.461 1.00 0.00 C ATOM 663 C ILE A 41 -6.016 7.184 5.692 1.00 0.00 C ATOM 664 O ILE A 41 -7.175 7.194 6.103 1.00 0.00 O ATOM 665 CB ILE A 41 -5.126 4.986 4.915 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.420 4.269 3.761 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.284 4.149 5.441 1.00 0.00 C ATOM 668 CD1 ILE A 41 -4.005 2.850 4.087 1.00 0.00 C ATOM 0 H ILE A 41 -3.684 6.713 3.756 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.506 6.234 3.825 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.406 5.124 5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.082 4.254 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.536 4.840 3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.914 3.174 5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.744 4.656 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.025 4.016 4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.512 2.407 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.317 2.857 4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.887 2.262 4.342 1.00 0.00 H new ATOM 680 N GLU A 42 -5.037 7.869 6.276 1.00 0.00 N ATOM 681 CA GLU A 42 -5.284 8.687 7.459 1.00 0.00 C ATOM 682 C GLU A 42 -6.157 9.888 7.113 1.00 0.00 C ATOM 683 O GLU A 42 -6.918 10.375 7.950 1.00 0.00 O ATOM 684 CB GLU A 42 -3.962 9.156 8.073 1.00 0.00 C ATOM 685 CG GLU A 42 -3.162 10.082 7.173 1.00 0.00 C ATOM 686 CD GLU A 42 -2.311 11.062 7.956 1.00 0.00 C ATOM 687 OE1 GLU A 42 -2.034 10.791 9.143 1.00 0.00 O ATOM 688 OE2 GLU A 42 -1.922 12.100 7.381 1.00 0.00 O ATOM 0 H GLU A 42 -4.070 7.874 5.951 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.812 8.075 8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.170 9.668 9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.354 8.284 8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.520 9.487 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.845 10.634 6.527 1.00 0.00 H new ATOM 695 N GLU A 43 -6.049 10.357 5.874 1.00 0.00 N ATOM 696 CA GLU A 43 -6.837 11.495 5.417 1.00 0.00 C ATOM 697 C GLU A 43 -8.268 11.066 5.108 1.00 0.00 C ATOM 698 O GLU A 43 -9.210 11.848 5.240 1.00 0.00 O ATOM 699 CB GLU A 43 -6.191 12.130 4.179 1.00 0.00 C ATOM 700 CG GLU A 43 -6.406 11.351 2.888 1.00 0.00 C ATOM 701 CD GLU A 43 -7.164 12.150 1.845 1.00 0.00 C ATOM 702 OE1 GLU A 43 -6.734 13.281 1.535 1.00 0.00 O ATOM 703 OE2 GLU A 43 -8.187 11.644 1.337 1.00 0.00 O ATOM 0 H GLU A 43 -5.424 9.966 5.169 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.864 12.237 6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.589 13.137 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.120 12.231 4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.439 11.054 2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.954 10.435 3.108 1.00 0.00 H new ATOM 710 N LEU A 44 -8.413 9.812 4.696 1.00 0.00 N ATOM 711 CA LEU A 44 -9.715 9.249 4.360 1.00 0.00 C ATOM 712 C LEU A 44 -10.707 9.435 5.504 1.00 0.00 C ATOM 713 O LEU A 44 -10.317 9.696 6.643 1.00 0.00 O ATOM 714 CB LEU A 44 -9.566 7.760 4.029 1.00 0.00 C ATOM 715 CG LEU A 44 -9.643 7.416 2.541 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.327 5.944 2.318 1.00 0.00 C ATOM 717 CD2 LEU A 44 -11.018 7.758 1.986 1.00 0.00 C ATOM 0 H LEU A 44 -7.636 9.160 4.586 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.103 9.777 3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.609 7.411 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.344 7.207 4.555 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.900 8.011 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.386 5.716 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.321 5.729 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.047 5.331 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.055 7.507 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.778 7.189 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.207 8.824 2.113 1.00 0.00 H new ATOM 757 N GLU A 49 -15.164 6.858 -0.508 1.00 0.00 N ATOM 758 CA GLU A 49 -13.819 7.177 -0.973 1.00 0.00 C ATOM 759 C GLU A 49 -12.824 6.099 -0.551 1.00 0.00 C ATOM 760 O GLU A 49 -11.812 5.879 -1.217 1.00 0.00 O ATOM 761 CB GLU A 49 -13.379 8.536 -0.425 1.00 0.00 C ATOM 762 CG GLU A 49 -12.051 9.018 -0.986 1.00 0.00 C ATOM 763 CD GLU A 49 -12.057 10.501 -1.304 1.00 0.00 C ATOM 764 OE1 GLU A 49 -12.352 11.301 -0.392 1.00 0.00 O ATOM 765 OE2 GLU A 49 -11.766 10.860 -2.464 1.00 0.00 O ATOM 0 HA GLU A 49 -13.839 7.219 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.148 9.275 -0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.304 8.473 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.259 8.807 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.818 8.457 -1.891 1.00 0.00 H new ATOM 772 N VAL A 50 -13.119 5.431 0.560 1.00 0.00 N ATOM 773 CA VAL A 50 -12.251 4.377 1.072 1.00 0.00 C ATOM 774 C VAL A 50 -12.073 3.255 0.052 1.00 0.00 C ATOM 775 O VAL A 50 -11.121 2.480 0.133 1.00 0.00 O ATOM 776 CB VAL A 50 -12.804 3.780 2.379 1.00 0.00 C ATOM 777 CG1 VAL A 50 -11.798 2.820 2.997 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.168 4.885 3.359 1.00 0.00 C ATOM 0 H VAL A 50 -13.953 5.601 1.123 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.283 4.839 1.269 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.709 3.220 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.207 2.409 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.592 2.009 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.873 3.354 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.557 4.444 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.281 5.475 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -13.928 5.529 2.916 1.00 0.00 H new ATOM 788 N LYS A 51 -12.994 3.168 -0.903 1.00 0.00 N ATOM 789 CA LYS A 51 -12.932 2.135 -1.931 1.00 0.00 C ATOM 790 C LYS A 51 -11.824 2.425 -2.939 1.00 0.00 C ATOM 791 O LYS A 51 -11.216 1.506 -3.488 1.00 0.00 O ATOM 792 CB LYS A 51 -14.277 2.026 -2.653 1.00 0.00 C ATOM 793 CG LYS A 51 -15.243 1.054 -1.996 1.00 0.00 C ATOM 794 CD LYS A 51 -15.123 -0.339 -2.592 1.00 0.00 C ATOM 795 CE LYS A 51 -15.952 -0.478 -3.858 1.00 0.00 C ATOM 796 NZ LYS A 51 -17.211 -1.237 -3.618 1.00 0.00 N ATOM 0 H LYS A 51 -13.791 3.799 -0.986 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.708 1.187 -1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.739 3.012 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.103 1.712 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.045 1.011 -0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.264 1.416 -2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.077 -0.551 -2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.449 -1.078 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.193 0.512 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.364 -0.984 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.747 -1.309 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.981 -2.191 -3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.785 -0.741 -2.906 1.00 0.00 H new ATOM 810 N LYS A 52 -11.567 3.707 -3.180 1.00 0.00 N ATOM 811 CA LYS A 52 -10.533 4.115 -4.126 1.00 0.00 C ATOM 812 C LYS A 52 -9.144 3.758 -3.602 1.00 0.00 C ATOM 813 O LYS A 52 -8.389 3.039 -4.257 1.00 0.00 O ATOM 814 CB LYS A 52 -10.627 5.620 -4.391 1.00 0.00 C ATOM 815 CG LYS A 52 -9.457 6.180 -5.185 1.00 0.00 C ATOM 816 CD LYS A 52 -9.843 7.449 -5.928 1.00 0.00 C ATOM 817 CE LYS A 52 -10.065 8.611 -4.973 1.00 0.00 C ATOM 818 NZ LYS A 52 -9.040 9.676 -5.146 1.00 0.00 N ATOM 0 H LYS A 52 -12.060 4.481 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.693 3.578 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.551 5.827 -4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.690 6.144 -3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.626 6.390 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.108 5.432 -5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.059 7.707 -6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.751 7.272 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.057 9.032 -5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.040 8.247 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.227 10.450 -4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.095 9.281 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.081 10.042 -6.119 1.00 0.00 H new ATOM 832 N VAL A 53 -8.814 4.264 -2.419 1.00 0.00 N ATOM 833 CA VAL A 53 -7.516 3.997 -1.808 1.00 0.00 C ATOM 834 C VAL A 53 -7.303 2.499 -1.606 1.00 0.00 C ATOM 835 O VAL A 53 -6.169 2.025 -1.567 1.00 0.00 O ATOM 836 CB VAL A 53 -7.370 4.720 -0.454 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.991 4.477 0.141 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.631 6.210 -0.617 1.00 0.00 C ATOM 0 H VAL A 53 -9.427 4.861 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.758 4.378 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.111 4.314 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.910 4.996 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.845 3.408 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.229 4.852 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.524 6.706 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.914 6.630 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.642 6.363 -0.993 1.00 0.00 H new ATOM 848 N GLU A 54 -8.401 1.758 -1.480 1.00 0.00 N ATOM 849 CA GLU A 54 -8.327 0.315 -1.287 1.00 0.00 C ATOM 850 C GLU A 54 -7.741 -0.359 -2.521 1.00 0.00 C ATOM 851 O GLU A 54 -6.973 -1.316 -2.414 1.00 0.00 O ATOM 852 CB GLU A 54 -9.714 -0.255 -0.987 1.00 0.00 C ATOM 853 CG GLU A 54 -9.694 -1.429 -0.021 1.00 0.00 C ATOM 854 CD GLU A 54 -10.246 -1.069 1.345 1.00 0.00 C ATOM 855 OE1 GLU A 54 -11.163 -0.223 1.411 1.00 0.00 O ATOM 856 OE2 GLU A 54 -9.763 -1.635 2.348 1.00 0.00 O ATOM 0 H GLU A 54 -9.349 2.133 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.674 0.116 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.340 0.535 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.177 -0.572 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.277 -2.249 -0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.671 -1.788 0.088 1.00 0.00 H new ATOM 863 N GLU A 55 -8.107 0.149 -3.693 1.00 0.00 N ATOM 864 CA GLU A 55 -7.616 -0.396 -4.953 1.00 0.00 C ATOM 865 C GLU A 55 -6.141 -0.058 -5.148 1.00 0.00 C ATOM 866 O GLU A 55 -5.404 -0.796 -5.802 1.00 0.00 O ATOM 867 CB GLU A 55 -8.438 0.150 -6.122 1.00 0.00 C ATOM 868 CG GLU A 55 -8.001 -0.385 -7.475 1.00 0.00 C ATOM 869 CD GLU A 55 -9.058 -0.199 -8.544 1.00 0.00 C ATOM 870 OE1 GLU A 55 -10.041 -0.971 -8.548 1.00 0.00 O ATOM 871 OE2 GLU A 55 -8.906 0.718 -9.379 1.00 0.00 O ATOM 0 H GLU A 55 -8.744 0.939 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.722 -1.480 -4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.488 -0.098 -5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.365 1.238 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.085 0.120 -7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.765 -1.445 -7.383 1.00 0.00 H new ATOM 878 N GLU A 56 -5.718 1.064 -4.574 1.00 0.00 N ATOM 879 CA GLU A 56 -4.333 1.508 -4.677 1.00 0.00 C ATOM 880 C GLU A 56 -3.406 0.595 -3.880 1.00 0.00 C ATOM 881 O GLU A 56 -2.233 0.437 -4.218 1.00 0.00 O ATOM 882 CB GLU A 56 -4.206 2.949 -4.177 1.00 0.00 C ATOM 883 CG GLU A 56 -4.541 3.990 -5.233 1.00 0.00 C ATOM 884 CD GLU A 56 -3.625 5.196 -5.173 1.00 0.00 C ATOM 885 OE1 GLU A 56 -2.509 5.123 -5.729 1.00 0.00 O ATOM 886 OE2 GLU A 56 -4.023 6.215 -4.570 1.00 0.00 O ATOM 0 H GLU A 56 -6.318 1.684 -4.030 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.037 1.464 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.865 3.087 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.188 3.115 -3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.472 3.535 -6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.573 4.315 -5.103 1.00 0.00 H new ATOM 893 N VAL A 57 -3.941 -0.003 -2.821 1.00 0.00 N ATOM 894 CA VAL A 57 -3.167 -0.902 -1.972 1.00 0.00 C ATOM 895 C VAL A 57 -3.120 -2.307 -2.563 1.00 0.00 C ATOM 896 O VAL A 57 -2.194 -3.073 -2.296 1.00 0.00 O ATOM 897 CB VAL A 57 -3.755 -0.976 -0.549 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.817 -1.731 0.381 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.042 0.420 -0.012 1.00 0.00 C ATOM 0 H VAL A 57 -4.911 0.119 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.156 -0.497 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.698 -1.521 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.251 -1.772 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.671 -2.744 0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.856 -1.218 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.456 0.345 0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.117 0.995 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.759 0.920 -0.663 1.00 0.00 H new ATOM 909 N LYS A 58 -4.129 -2.640 -3.359 1.00 0.00 N ATOM 910 CA LYS A 58 -4.218 -3.953 -3.986 1.00 0.00 C ATOM 911 C LYS A 58 -3.238 -4.087 -5.150 1.00 0.00 C ATOM 912 O LYS A 58 -2.802 -5.188 -5.476 1.00 0.00 O ATOM 913 CB LYS A 58 -5.644 -4.209 -4.475 1.00 0.00 C ATOM 914 CG LYS A 58 -6.384 -5.264 -3.668 1.00 0.00 C ATOM 915 CD LYS A 58 -7.061 -4.661 -2.449 1.00 0.00 C ATOM 916 CE LYS A 58 -7.069 -5.633 -1.280 1.00 0.00 C ATOM 917 NZ LYS A 58 -7.534 -6.989 -1.686 1.00 0.00 N ATOM 0 H LYS A 58 -4.902 -2.014 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.953 -4.697 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.205 -3.275 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.611 -4.519 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.131 -5.748 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.685 -6.038 -3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.544 -3.746 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.085 -4.383 -2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.065 -5.704 -0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.717 -5.248 -0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.832 -7.521 -0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.337 -6.899 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.758 -7.495 -2.158 1.00 0.00 H new ATOM 931 N LYS A 59 -2.915 -2.967 -5.790 1.00 0.00 N ATOM 932 CA LYS A 59 -2.002 -2.980 -6.931 1.00 0.00 C ATOM 933 C LYS A 59 -0.550 -3.152 -6.495 1.00 0.00 C ATOM 934 O LYS A 59 0.223 -3.841 -7.159 1.00 0.00 O ATOM 935 CB LYS A 59 -2.146 -1.690 -7.743 1.00 0.00 C ATOM 936 CG LYS A 59 -1.251 -1.644 -8.974 1.00 0.00 C ATOM 937 CD LYS A 59 -0.597 -0.278 -9.148 1.00 0.00 C ATOM 938 CE LYS A 59 -0.993 0.366 -10.467 1.00 0.00 C ATOM 939 NZ LYS A 59 -2.462 0.592 -10.556 1.00 0.00 N ATOM 0 H LYS A 59 -3.269 -2.043 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.271 -3.835 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.185 -1.580 -8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.914 -0.839 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.479 -2.409 -8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.840 -1.881 -9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.886 0.373 -8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.487 -0.384 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.472 1.317 -10.577 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.673 -0.270 -11.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.657 1.337 -11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.932 -0.289 -10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.825 0.886 -9.627 1.00 0.00 H new ATOM 953 N LEU A 60 -0.174 -2.516 -5.389 1.00 0.00 N ATOM 954 CA LEU A 60 1.198 -2.604 -4.898 1.00 0.00 C ATOM 955 C LEU A 60 1.459 -3.928 -4.189 1.00 0.00 C ATOM 956 O LEU A 60 2.596 -4.385 -4.122 1.00 0.00 O ATOM 957 CB LEU A 60 1.515 -1.445 -3.957 1.00 0.00 C ATOM 958 CG LEU A 60 3.005 -1.114 -3.847 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.228 0.387 -3.894 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.592 -1.705 -2.577 1.00 0.00 C ATOM 0 H LEU A 60 -0.794 -1.939 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 60 1.853 -2.547 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.982 -0.558 -4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.133 -1.683 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 60 3.517 -1.560 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.294 0.599 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.849 0.782 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.701 0.859 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.652 -1.459 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.074 -1.293 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.471 -2.788 -2.590 1.00 0.00 H new ATOM 972 N GLU A 61 0.409 -4.537 -3.658 1.00 0.00 N ATOM 973 CA GLU A 61 0.542 -5.808 -2.958 1.00 0.00 C ATOM 974 C GLU A 61 0.866 -6.928 -3.941 1.00 0.00 C ATOM 975 O GLU A 61 1.857 -7.642 -3.785 1.00 0.00 O ATOM 976 CB GLU A 61 -0.749 -6.129 -2.203 1.00 0.00 C ATOM 977 CG GLU A 61 -0.516 -6.691 -0.812 1.00 0.00 C ATOM 978 CD GLU A 61 -1.645 -7.591 -0.350 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.170 -8.359 -1.183 1.00 0.00 O ATOM 980 OE2 GLU A 61 -2.003 -7.529 0.844 1.00 0.00 O ATOM 0 H GLU A 61 -0.543 -4.173 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 61 1.361 -5.726 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.349 -5.222 -2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.330 -6.846 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.418 -7.253 -0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.400 -5.868 -0.106 1.00 0.00 H new ATOM 987 N GLU A 62 0.020 -7.071 -4.955 1.00 0.00 N ATOM 988 CA GLU A 62 0.200 -8.095 -5.975 1.00 0.00 C ATOM 989 C GLU A 62 1.486 -7.864 -6.766 1.00 0.00 C ATOM 990 O GLU A 62 2.073 -8.801 -7.304 1.00 0.00 O ATOM 991 CB GLU A 62 -1.000 -8.102 -6.923 1.00 0.00 C ATOM 992 CG GLU A 62 -1.421 -9.494 -7.362 1.00 0.00 C ATOM 993 CD GLU A 62 -2.761 -9.502 -8.071 1.00 0.00 C ATOM 994 OE1 GLU A 62 -2.861 -8.896 -9.158 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.709 -10.116 -7.539 1.00 0.00 O ATOM 0 H GLU A 62 -0.803 -6.485 -5.092 1.00 0.00 H new ATOM 0 HA GLU A 62 0.275 -9.062 -5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.843 -7.615 -6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.759 -7.509 -7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.661 -9.907 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.472 -10.146 -6.490 1.00 0.00 H new ATOM 1002 N GLU A 63 1.912 -6.607 -6.837 1.00 0.00 N ATOM 1003 CA GLU A 63 3.122 -6.248 -7.567 1.00 0.00 C ATOM 1004 C GLU A 63 4.349 -6.936 -6.973 1.00 0.00 C ATOM 1005 O GLU A 63 5.043 -7.689 -7.658 1.00 0.00 O ATOM 1006 CB GLU A 63 3.309 -4.727 -7.555 1.00 0.00 C ATOM 1007 CG GLU A 63 3.544 -4.135 -8.935 1.00 0.00 C ATOM 1008 CD GLU A 63 4.988 -4.253 -9.383 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.609 -5.301 -9.111 1.00 0.00 O ATOM 1010 OE2 GLU A 63 5.497 -3.297 -10.003 1.00 0.00 O ATOM 0 H GLU A 63 1.436 -5.819 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 63 3.012 -6.587 -8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.426 -4.264 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.153 -4.478 -6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.901 -4.639 -9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.254 -3.084 -8.930 1.00 0.00 H new ATOM 1017 N ILE A 64 4.609 -6.674 -5.698 1.00 0.00 N ATOM 1018 CA ILE A 64 5.747 -7.264 -5.003 1.00 0.00 C ATOM 1019 C ILE A 64 5.759 -8.784 -5.145 1.00 0.00 C ATOM 1020 O ILE A 64 6.816 -9.413 -5.094 1.00 0.00 O ATOM 1021 CB ILE A 64 5.737 -6.902 -3.502 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.579 -5.391 -3.314 1.00 0.00 C ATOM 1023 CG2 ILE A 64 7.009 -7.396 -2.828 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.547 -4.963 -1.862 1.00 0.00 C ATOM 0 H ILE A 64 4.043 -6.052 -5.121 1.00 0.00 H new ATOM 0 HA ILE A 64 6.644 -6.853 -5.466 1.00 0.00 H new ATOM 0 HB ILE A 64 4.885 -7.395 -3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.402 -4.882 -3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.659 -5.067 -3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.986 -7.133 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.078 -8.479 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.875 -6.931 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.433 -3.881 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.708 -5.444 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.477 -5.256 -1.376 1.00 0.00 H new ATOM 1036 N LYS A 65 4.578 -9.367 -5.323 1.00 0.00 N ATOM 1037 CA LYS A 65 4.455 -10.814 -5.470 1.00 0.00 C ATOM 1038 C LYS A 65 5.146 -11.293 -6.744 1.00 0.00 C ATOM 1039 O LYS A 65 5.638 -12.420 -6.807 1.00 0.00 O ATOM 1040 CB LYS A 65 2.981 -11.222 -5.487 1.00 0.00 C ATOM 1041 CG LYS A 65 2.487 -11.776 -4.160 1.00 0.00 C ATOM 1042 CD LYS A 65 2.417 -10.692 -3.096 1.00 0.00 C ATOM 1043 CE LYS A 65 2.005 -11.263 -1.748 1.00 0.00 C ATOM 1044 NZ LYS A 65 1.392 -10.227 -0.871 1.00 0.00 N ATOM 0 H LYS A 65 3.693 -8.861 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 65 4.944 -11.284 -4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.376 -10.356 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.829 -11.972 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.501 -12.220 -4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.152 -12.572 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.388 -10.206 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.704 -9.926 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.296 -12.077 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.877 -11.689 -1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.125 -10.656 0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.077 -9.463 -0.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.545 -9.838 -1.333 1.00 0.00 H new ATOM 1058 N LYS A 66 5.179 -10.432 -7.755 1.00 0.00 N ATOM 1059 CA LYS A 66 5.808 -10.769 -9.026 1.00 0.00 C ATOM 1060 C LYS A 66 7.328 -10.731 -8.911 1.00 0.00 C ATOM 1061 O LYS A 66 8.032 -11.474 -9.594 1.00 0.00 O ATOM 1062 CB LYS A 66 5.345 -9.807 -10.121 1.00 0.00 C ATOM 1063 CG LYS A 66 4.053 -10.235 -10.801 1.00 0.00 C ATOM 1064 CD LYS A 66 3.783 -9.416 -12.054 1.00 0.00 C ATOM 1065 CE LYS A 66 3.435 -10.305 -13.237 1.00 0.00 C ATOM 1066 NZ LYS A 66 4.501 -11.309 -13.510 1.00 0.00 N ATOM 0 H LYS A 66 4.777 -9.495 -7.719 1.00 0.00 H new ATOM 0 HA LYS A 66 5.507 -11.783 -9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.207 -8.816 -9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.130 -9.720 -10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.111 -11.292 -11.062 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.221 -10.123 -10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.964 -8.721 -11.866 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.661 -8.816 -12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.494 -10.819 -13.040 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.282 -9.688 -14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.528 -11.519 -14.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.421 -10.928 -13.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.299 -12.182 -12.982 1.00 0.00 H new