USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=6 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 Set 1.1: A 33 LYS NZ :NH3+ -155:sc= -0.137 (180deg=0) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -155:sc= -0.118 (180deg=0) 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+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -2.78 USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= 0.567 (180deg=-0.00257) USER MOD Single : A 39 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 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 0.00571 (180deg=0.000498) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0336) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -7.178 -1.192 6.882 1.00 0.00 N ATOM 94 CA LEU A 7 -6.406 -0.696 5.746 1.00 0.00 C ATOM 95 C LEU A 7 -5.028 -0.202 6.182 1.00 0.00 C ATOM 96 O LEU A 7 -4.072 -0.242 5.408 1.00 0.00 O ATOM 97 CB LEU A 7 -7.168 0.438 5.055 1.00 0.00 C ATOM 98 CG LEU A 7 -7.140 0.404 3.527 1.00 0.00 C ATOM 99 CD1 LEU A 7 -7.982 1.534 2.955 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.710 0.489 3.018 1.00 0.00 C ATOM 0 HA LEU A 7 -6.264 -1.522 5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.207 0.410 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.754 1.389 5.389 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.565 -0.543 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.951 1.495 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.013 1.427 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.586 2.491 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.710 0.463 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.257 1.420 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.137 -0.355 3.401 1.00 0.00 H new ATOM 112 N GLU A 8 -4.934 0.272 7.419 1.00 0.00 N ATOM 113 CA GLU A 8 -3.675 0.786 7.950 1.00 0.00 C ATOM 114 C GLU A 8 -2.736 -0.345 8.360 1.00 0.00 C ATOM 115 O GLU A 8 -1.518 -0.218 8.251 1.00 0.00 O ATOM 116 CB GLU A 8 -3.941 1.700 9.147 1.00 0.00 C ATOM 117 CG GLU A 8 -4.740 2.943 8.796 1.00 0.00 C ATOM 118 CD GLU A 8 -5.265 3.665 10.023 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.536 2.990 11.038 1.00 0.00 O ATOM 120 OE2 GLU A 8 -5.403 4.905 9.967 1.00 0.00 O ATOM 0 H GLU A 8 -5.715 0.311 8.074 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.190 1.357 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.477 1.137 9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.988 2.001 9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.113 3.623 8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.578 2.664 8.157 1.00 0.00 H new ATOM 127 N GLU A 9 -3.306 -1.444 8.840 1.00 0.00 N ATOM 128 CA GLU A 9 -2.513 -2.592 9.271 1.00 0.00 C ATOM 129 C GLU A 9 -2.008 -3.409 8.080 1.00 0.00 C ATOM 130 O GLU A 9 -1.064 -4.188 8.206 1.00 0.00 O ATOM 131 CB GLU A 9 -3.336 -3.482 10.210 1.00 0.00 C ATOM 132 CG GLU A 9 -4.410 -4.298 9.504 1.00 0.00 C ATOM 133 CD GLU A 9 -4.259 -5.789 9.741 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.753 -6.171 10.818 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.644 -6.573 8.850 1.00 0.00 O ATOM 0 H GLU A 9 -4.314 -1.566 8.941 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.643 -2.211 9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.663 -4.161 10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.808 -2.856 10.967 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.392 -3.976 9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.368 -4.098 8.433 1.00 0.00 H new ATOM 142 N LYS A 10 -2.656 -3.239 6.931 1.00 0.00 N ATOM 143 CA LYS A 10 -2.286 -3.972 5.723 1.00 0.00 C ATOM 144 C LYS A 10 -1.026 -3.401 5.077 1.00 0.00 C ATOM 145 O LYS A 10 -0.118 -4.145 4.707 1.00 0.00 O ATOM 146 CB LYS A 10 -3.445 -3.943 4.722 1.00 0.00 C ATOM 147 CG LYS A 10 -4.080 -5.304 4.486 1.00 0.00 C ATOM 148 CD LYS A 10 -3.795 -5.821 3.083 1.00 0.00 C ATOM 149 CE LYS A 10 -5.009 -5.682 2.179 1.00 0.00 C ATOM 150 NZ LYS A 10 -4.885 -4.520 1.257 1.00 0.00 N ATOM 0 H LYS A 10 -3.441 -2.599 6.810 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.073 -5.002 6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.208 -3.253 5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.083 -3.550 3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.701 -6.015 5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.157 -5.234 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.957 -5.271 2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.496 -6.868 3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.135 -6.595 1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.905 -5.567 2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.733 -4.460 0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.791 -3.645 1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.045 -4.641 0.656 1.00 0.00 H new ATOM 164 N VAL A 11 -0.985 -2.083 4.929 1.00 0.00 N ATOM 165 CA VAL A 11 0.157 -1.414 4.311 1.00 0.00 C ATOM 166 C VAL A 11 1.357 -1.363 5.243 1.00 0.00 C ATOM 167 O VAL A 11 2.498 -1.341 4.794 1.00 0.00 O ATOM 168 CB VAL A 11 -0.194 0.020 3.866 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.931 0.610 3.028 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.508 0.041 3.098 1.00 0.00 C ATOM 0 H VAL A 11 -1.730 -1.454 5.228 1.00 0.00 H new ATOM 0 HA VAL A 11 0.415 -2.007 3.434 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.315 0.635 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.665 1.622 2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.848 0.637 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.087 -0.006 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.736 1.063 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.423 -0.590 2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.308 -0.335 3.736 1.00 0.00 H new ATOM 180 N LYS A 12 1.091 -1.335 6.536 1.00 0.00 N ATOM 181 CA LYS A 12 2.152 -1.284 7.537 1.00 0.00 C ATOM 182 C LYS A 12 3.007 -2.542 7.466 1.00 0.00 C ATOM 183 O LYS A 12 4.224 -2.492 7.639 1.00 0.00 O ATOM 184 CB LYS A 12 1.558 -1.129 8.937 1.00 0.00 C ATOM 185 CG LYS A 12 2.492 -0.444 9.921 1.00 0.00 C ATOM 186 CD LYS A 12 2.032 -0.642 11.357 1.00 0.00 C ATOM 187 CE LYS A 12 2.343 -2.045 11.854 1.00 0.00 C ATOM 188 NZ LYS A 12 3.526 -2.064 12.758 1.00 0.00 N ATOM 0 H LYS A 12 0.147 -1.347 6.923 1.00 0.00 H new ATOM 0 HA LYS A 12 2.782 -0.420 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.633 -0.557 8.869 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.296 -2.114 9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.501 -0.840 9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.540 0.622 9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.520 0.090 12.001 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.959 -0.460 11.425 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.476 -2.444 12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.527 -2.700 11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.705 -3.038 13.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.359 -1.707 12.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.341 -1.460 13.584 1.00 0.00 H new ATOM 202 N ALA A 13 2.359 -3.666 7.185 1.00 0.00 N ATOM 203 CA ALA A 13 3.058 -4.940 7.059 1.00 0.00 C ATOM 204 C ALA A 13 3.674 -5.054 5.671 1.00 0.00 C ATOM 205 O ALA A 13 4.641 -5.784 5.453 1.00 0.00 O ATOM 206 CB ALA A 13 2.107 -6.099 7.319 1.00 0.00 C ATOM 0 H ALA A 13 1.351 -3.722 7.040 1.00 0.00 H new ATOM 0 HA ALA A 13 3.854 -4.982 7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.646 -7.041 7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.701 -6.017 8.327 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.292 -6.070 6.596 1.00 0.00 H new ATOM 212 N LEU A 14 3.089 -4.311 4.741 1.00 0.00 N ATOM 213 CA LEU A 14 3.533 -4.281 3.359 1.00 0.00 C ATOM 214 C LEU A 14 4.906 -3.618 3.233 1.00 0.00 C ATOM 215 O LEU A 14 5.647 -3.875 2.285 1.00 0.00 O ATOM 216 CB LEU A 14 2.495 -3.521 2.532 1.00 0.00 C ATOM 217 CG LEU A 14 2.404 -3.917 1.060 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.980 -3.737 0.560 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.371 -3.098 0.222 1.00 0.00 C ATOM 0 H LEU A 14 2.287 -3.709 4.929 1.00 0.00 H new ATOM 0 HA LEU A 14 3.631 -5.302 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.516 -3.665 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.720 -2.456 2.590 1.00 0.00 H new ATOM 0 HG LEU A 14 2.680 -4.967 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.925 -4.022 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.307 -4.367 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.685 -2.693 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.290 -3.396 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.129 -2.040 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.390 -3.270 0.570 1.00 0.00 H new ATOM 231 N GLU A 15 5.230 -2.755 4.193 1.00 0.00 N ATOM 232 CA GLU A 15 6.500 -2.039 4.196 1.00 0.00 C ATOM 233 C GLU A 15 7.655 -2.950 4.606 1.00 0.00 C ATOM 234 O GLU A 15 8.668 -3.030 3.913 1.00 0.00 O ATOM 235 CB GLU A 15 6.410 -0.831 5.137 1.00 0.00 C ATOM 236 CG GLU A 15 7.747 -0.162 5.418 1.00 0.00 C ATOM 237 CD GLU A 15 7.611 1.056 6.311 1.00 0.00 C ATOM 238 OE1 GLU A 15 7.055 2.073 5.846 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.060 0.992 7.475 1.00 0.00 O ATOM 0 H GLU A 15 4.624 -2.535 4.984 1.00 0.00 H new ATOM 0 HA GLU A 15 6.700 -1.693 3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.732 -0.096 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.971 -1.152 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.417 -0.881 5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.207 0.133 4.475 1.00 0.00 H new ATOM 246 N GLU A 16 7.500 -3.630 5.738 1.00 0.00 N ATOM 247 CA GLU A 16 8.538 -4.529 6.239 1.00 0.00 C ATOM 248 C GLU A 16 9.008 -5.496 5.152 1.00 0.00 C ATOM 249 O GLU A 16 10.143 -5.969 5.180 1.00 0.00 O ATOM 250 CB GLU A 16 8.023 -5.313 7.448 1.00 0.00 C ATOM 251 CG GLU A 16 6.738 -6.075 7.177 1.00 0.00 C ATOM 252 CD GLU A 16 6.526 -7.223 8.145 1.00 0.00 C ATOM 253 OE1 GLU A 16 7.516 -7.675 8.756 1.00 0.00 O ATOM 254 OE2 GLU A 16 5.369 -7.669 8.291 1.00 0.00 O ATOM 0 H GLU A 16 6.668 -3.577 6.326 1.00 0.00 H new ATOM 0 HA GLU A 16 9.389 -3.919 6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.792 -6.016 7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.858 -4.622 8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.893 -5.390 7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.757 -6.462 6.158 1.00 0.00 H new ATOM 261 N LYS A 17 8.127 -5.784 4.198 1.00 0.00 N ATOM 262 CA LYS A 17 8.455 -6.693 3.105 1.00 0.00 C ATOM 263 C LYS A 17 9.353 -6.016 2.075 1.00 0.00 C ATOM 264 O LYS A 17 10.324 -6.607 1.599 1.00 0.00 O ATOM 265 CB LYS A 17 7.175 -7.193 2.432 1.00 0.00 C ATOM 266 CG LYS A 17 7.348 -8.517 1.706 1.00 0.00 C ATOM 267 CD LYS A 17 7.336 -8.335 0.197 1.00 0.00 C ATOM 268 CE LYS A 17 8.317 -9.274 -0.486 1.00 0.00 C ATOM 269 NZ LYS A 17 7.713 -10.607 -0.757 1.00 0.00 N ATOM 0 H LYS A 17 7.182 -5.402 4.160 1.00 0.00 H new ATOM 0 HA LYS A 17 8.996 -7.541 3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.396 -7.301 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.830 -6.441 1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.288 -8.979 2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.549 -9.199 1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.331 -8.517 -0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.588 -7.303 -0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.652 -8.830 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.200 -9.396 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.414 -11.218 -1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.416 -11.043 0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.886 -10.494 -1.377 1.00 0.00 H new ATOM 283 N VAL A 18 9.022 -4.775 1.728 1.00 0.00 N ATOM 284 CA VAL A 18 9.797 -4.021 0.748 1.00 0.00 C ATOM 285 C VAL A 18 11.100 -3.502 1.344 1.00 0.00 C ATOM 286 O VAL A 18 12.166 -3.646 0.746 1.00 0.00 O ATOM 287 CB VAL A 18 9.001 -2.829 0.202 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.737 -2.179 -0.960 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.603 -3.261 -0.218 1.00 0.00 C ATOM 0 H VAL A 18 8.222 -4.271 2.111 1.00 0.00 H new ATOM 0 HA VAL A 18 10.021 -4.712 -0.065 1.00 0.00 H new ATOM 0 HB VAL A 18 8.903 -2.091 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.156 -1.336 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.712 -1.827 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.872 -2.908 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.056 -2.400 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.675 -4.021 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.075 -3.672 0.643 1.00 0.00 H new ATOM 299 N LYS A 19 11.009 -2.890 2.521 1.00 0.00 N ATOM 300 CA LYS A 19 12.183 -2.340 3.192 1.00 0.00 C ATOM 301 C LYS A 19 13.320 -3.358 3.256 1.00 0.00 C ATOM 302 O LYS A 19 14.494 -2.994 3.225 1.00 0.00 O ATOM 303 CB LYS A 19 11.818 -1.879 4.604 1.00 0.00 C ATOM 304 CG LYS A 19 11.153 -0.513 4.642 1.00 0.00 C ATOM 305 CD LYS A 19 11.850 0.424 5.618 1.00 0.00 C ATOM 306 CE LYS A 19 12.708 1.452 4.895 1.00 0.00 C ATOM 307 NZ LYS A 19 12.157 2.829 5.030 1.00 0.00 N ATOM 0 H LYS A 19 10.134 -2.762 3.030 1.00 0.00 H new ATOM 0 HA LYS A 19 12.527 -1.485 2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.150 -2.612 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.721 -1.852 5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.165 -0.074 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.107 -0.625 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.105 0.936 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.473 -0.157 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.721 1.426 5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.776 1.190 3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.770 3.499 4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.200 2.861 4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.116 3.089 6.036 1.00 0.00 H new ATOM 321 N ALA A 20 12.962 -4.636 3.346 1.00 0.00 N ATOM 322 CA ALA A 20 13.954 -5.704 3.414 1.00 0.00 C ATOM 323 C ALA A 20 14.306 -6.230 2.025 1.00 0.00 C ATOM 324 O ALA A 20 15.262 -6.988 1.863 1.00 0.00 O ATOM 325 CB ALA A 20 13.447 -6.835 4.295 1.00 0.00 C ATOM 0 H ALA A 20 11.994 -4.956 3.373 1.00 0.00 H new ATOM 0 HA ALA A 20 14.862 -5.290 3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.196 -7.626 4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.260 -6.457 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.522 -7.233 3.879 1.00 0.00 H new ATOM 331 N LEU A 21 13.527 -5.827 1.025 1.00 0.00 N ATOM 332 CA LEU A 21 13.753 -6.258 -0.347 1.00 0.00 C ATOM 333 C LEU A 21 15.000 -5.598 -0.929 1.00 0.00 C ATOM 334 O LEU A 21 16.014 -6.257 -1.159 1.00 0.00 O ATOM 335 CB LEU A 21 12.531 -5.922 -1.202 1.00 0.00 C ATOM 336 CG LEU A 21 12.060 -7.039 -2.133 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.772 -6.640 -2.837 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.142 -7.382 -3.145 1.00 0.00 C ATOM 0 H LEU A 21 12.731 -5.200 1.142 1.00 0.00 H new ATOM 0 HA LEU A 21 13.909 -7.337 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.708 -5.651 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.759 -5.042 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 21 11.860 -7.927 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.452 -7.448 -3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.997 -6.448 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.943 -5.738 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.789 -8.179 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.375 -6.500 -3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.039 -7.713 -2.621 1.00 0.00 H new ATOM 371 N GLY A 25 14.149 -0.443 -10.082 1.00 0.00 N ATOM 372 CA GLY A 25 13.265 -1.033 -11.069 1.00 0.00 C ATOM 373 C GLY A 25 11.895 -1.357 -10.504 1.00 0.00 C ATOM 374 O GLY A 25 11.107 -0.458 -10.212 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.155 -0.347 -11.909 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.718 -1.944 -11.459 1.00 0.00 H new ATOM 378 N ARG A 26 11.612 -2.647 -10.347 1.00 0.00 N ATOM 379 CA ARG A 26 10.329 -3.089 -9.811 1.00 0.00 C ATOM 380 C ARG A 26 10.090 -2.509 -8.422 1.00 0.00 C ATOM 381 O ARG A 26 9.054 -1.899 -8.161 1.00 0.00 O ATOM 382 CB ARG A 26 10.280 -4.619 -9.748 1.00 0.00 C ATOM 383 CG ARG A 26 8.967 -5.218 -10.232 1.00 0.00 C ATOM 384 CD ARG A 26 7.763 -4.608 -9.529 1.00 0.00 C ATOM 385 NE ARG A 26 6.678 -4.314 -10.464 1.00 0.00 N ATOM 386 CZ ARG A 26 6.394 -3.097 -10.928 1.00 0.00 C ATOM 387 NH1 ARG A 26 7.091 -2.040 -10.529 1.00 0.00 N ATOM 388 NH2 ARG A 26 5.402 -2.936 -11.792 1.00 0.00 N ATOM 0 H ARG A 26 12.254 -3.404 -10.583 1.00 0.00 H new ATOM 0 HA ARG A 26 9.544 -2.731 -10.476 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.095 -5.023 -10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.454 -4.936 -8.720 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.874 -5.064 -11.307 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.977 -6.295 -10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.405 -5.294 -8.761 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.064 -3.691 -9.022 1.00 0.00 H new ATOM 0 HE ARG A 26 6.100 -5.092 -10.782 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.853 -2.154 -9.861 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.865 -1.114 -10.891 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.858 -3.742 -12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.182 -2.006 -12.149 1.00 0.00 H new ATOM 402 N ILE A 27 11.054 -2.713 -7.533 1.00 0.00 N ATOM 403 CA ILE A 27 10.953 -2.224 -6.164 1.00 0.00 C ATOM 404 C ILE A 27 10.816 -0.704 -6.118 1.00 0.00 C ATOM 405 O ILE A 27 10.219 -0.159 -5.193 1.00 0.00 O ATOM 406 CB ILE A 27 12.176 -2.643 -5.321 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.397 -4.155 -5.415 1.00 0.00 C ATOM 408 CG2 ILE A 27 11.993 -2.221 -3.871 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.845 -4.563 -5.252 1.00 0.00 C ATOM 0 H ILE A 27 11.918 -3.216 -7.737 1.00 0.00 H new ATOM 0 HA ILE A 27 10.055 -2.676 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 27 13.058 -2.140 -5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.800 -4.650 -4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.034 -4.508 -6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.865 -2.524 -3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.881 -1.138 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.102 -2.698 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.929 -5.647 -5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.445 -4.096 -6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.206 -4.240 -4.276 1.00 0.00 H new ATOM 421 N GLU A 28 11.386 -0.027 -7.110 1.00 0.00 N ATOM 422 CA GLU A 28 11.337 1.432 -7.168 1.00 0.00 C ATOM 423 C GLU A 28 9.898 1.947 -7.206 1.00 0.00 C ATOM 424 O GLU A 28 9.498 2.752 -6.366 1.00 0.00 O ATOM 425 CB GLU A 28 12.101 1.937 -8.393 1.00 0.00 C ATOM 426 CG GLU A 28 12.459 3.412 -8.319 1.00 0.00 C ATOM 427 CD GLU A 28 13.573 3.790 -9.276 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.336 3.767 -10.502 1.00 0.00 O ATOM 429 OE2 GLU A 28 14.684 4.107 -8.799 1.00 0.00 O ATOM 0 H GLU A 28 11.887 -0.463 -7.884 1.00 0.00 H new ATOM 0 HA GLU A 28 11.807 1.814 -6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.015 1.355 -8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.499 1.762 -9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.575 4.008 -8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.760 3.658 -7.301 1.00 0.00 H new ATOM 436 N GLU A 29 9.126 1.486 -8.188 1.00 0.00 N ATOM 437 CA GLU A 29 7.735 1.913 -8.333 1.00 0.00 C ATOM 438 C GLU A 29 6.926 1.594 -7.080 1.00 0.00 C ATOM 439 O GLU A 29 6.044 2.357 -6.685 1.00 0.00 O ATOM 440 CB GLU A 29 7.097 1.233 -9.549 1.00 0.00 C ATOM 441 CG GLU A 29 5.613 1.532 -9.713 1.00 0.00 C ATOM 442 CD GLU A 29 5.321 3.019 -9.764 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.813 3.689 -10.696 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.600 3.514 -8.872 1.00 0.00 O ATOM 0 H GLU A 29 9.438 0.819 -8.893 1.00 0.00 H new ATOM 0 HA GLU A 29 7.730 2.993 -8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.624 1.551 -10.449 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.233 0.155 -9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.250 1.063 -10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.062 1.085 -8.885 1.00 0.00 H new ATOM 451 N LEU A 30 7.225 0.457 -6.468 1.00 0.00 N ATOM 452 CA LEU A 30 6.523 0.021 -5.268 1.00 0.00 C ATOM 453 C LEU A 30 6.804 0.936 -4.081 1.00 0.00 C ATOM 454 O LEU A 30 6.040 0.963 -3.121 1.00 0.00 O ATOM 455 CB LEU A 30 6.929 -1.410 -4.914 1.00 0.00 C ATOM 456 CG LEU A 30 6.420 -2.485 -5.872 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.432 -3.611 -5.996 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.079 -3.021 -5.401 1.00 0.00 C ATOM 0 H LEU A 30 7.953 -0.184 -6.784 1.00 0.00 H new ATOM 0 HA LEU A 30 5.455 0.063 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.017 -1.464 -4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.565 -1.637 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 30 6.286 -2.036 -6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.052 -4.368 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.373 -3.214 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.598 -4.060 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.729 -3.786 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.189 -3.455 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.355 -2.207 -5.363 1.00 0.00 H new ATOM 470 N LYS A 31 7.915 1.665 -4.141 1.00 0.00 N ATOM 471 CA LYS A 31 8.306 2.560 -3.055 1.00 0.00 C ATOM 472 C LYS A 31 7.525 3.872 -3.076 1.00 0.00 C ATOM 473 O LYS A 31 6.854 4.214 -2.109 1.00 0.00 O ATOM 474 CB LYS A 31 9.804 2.850 -3.135 1.00 0.00 C ATOM 475 CG LYS A 31 10.314 3.718 -2.000 1.00 0.00 C ATOM 476 CD LYS A 31 11.660 3.230 -1.488 1.00 0.00 C ATOM 477 CE LYS A 31 12.415 4.334 -0.766 1.00 0.00 C ATOM 478 NZ LYS A 31 13.285 5.109 -1.694 1.00 0.00 N ATOM 0 H LYS A 31 8.561 1.654 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 31 8.073 2.055 -2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.349 1.906 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.021 3.342 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.405 4.749 -2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.590 3.715 -1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.510 2.388 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.258 2.865 -2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.704 5.007 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.025 3.899 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.783 5.852 -1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.980 4.471 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.700 5.545 -2.435 1.00 0.00 H new ATOM 492 N LYS A 32 7.635 4.614 -4.171 1.00 0.00 N ATOM 493 CA LYS A 32 6.954 5.900 -4.299 1.00 0.00 C ATOM 494 C LYS A 32 5.459 5.785 -3.998 1.00 0.00 C ATOM 495 O LYS A 32 4.864 6.689 -3.411 1.00 0.00 O ATOM 496 CB LYS A 32 7.161 6.467 -5.706 1.00 0.00 C ATOM 497 CG LYS A 32 7.672 7.899 -5.715 1.00 0.00 C ATOM 498 CD LYS A 32 8.471 8.198 -6.974 1.00 0.00 C ATOM 499 CE LYS A 32 9.700 9.038 -6.666 1.00 0.00 C ATOM 500 NZ LYS A 32 9.347 10.456 -6.380 1.00 0.00 N ATOM 0 H LYS A 32 8.189 4.348 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 32 7.389 6.577 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.867 5.834 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.217 6.423 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.830 8.587 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.296 8.069 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.776 7.263 -7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.840 8.723 -7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.224 8.614 -5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.388 8.999 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.213 10.995 -6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.870 10.869 -7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.711 10.496 -5.558 1.00 0.00 H new ATOM 514 N LYS A 33 4.859 4.680 -4.415 1.00 0.00 N ATOM 515 CA LYS A 33 3.432 4.451 -4.208 1.00 0.00 C ATOM 516 C LYS A 33 3.132 3.914 -2.806 1.00 0.00 C ATOM 517 O LYS A 33 2.016 4.055 -2.311 1.00 0.00 O ATOM 518 CB LYS A 33 2.894 3.483 -5.263 1.00 0.00 C ATOM 519 CG LYS A 33 1.395 3.251 -5.168 1.00 0.00 C ATOM 520 CD LYS A 33 0.850 2.604 -6.432 1.00 0.00 C ATOM 521 CE LYS A 33 1.400 1.199 -6.623 1.00 0.00 C ATOM 522 NZ LYS A 33 2.436 1.148 -7.691 1.00 0.00 N ATOM 0 H LYS A 33 5.339 3.923 -4.901 1.00 0.00 H new ATOM 0 HA LYS A 33 2.931 5.414 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.131 3.870 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.408 2.527 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.178 2.615 -4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.889 4.201 -4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.238 2.566 -6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.108 3.217 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.828 0.846 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.585 0.521 -6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.481 0.187 -8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.190 1.821 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.361 1.401 -7.289 1.00 0.00 H new ATOM 536 N CYS A 34 4.117 3.269 -2.188 1.00 0.00 N ATOM 537 CA CYS A 34 3.938 2.683 -0.858 1.00 0.00 C ATOM 538 C CYS A 34 3.680 3.737 0.223 1.00 0.00 C ATOM 539 O CYS A 34 2.668 3.682 0.922 1.00 0.00 O ATOM 540 CB CYS A 34 5.180 1.870 -0.483 1.00 0.00 C ATOM 541 SG CYS A 34 4.840 0.120 -0.109 1.00 0.00 S ATOM 0 H CYS A 34 5.048 3.137 -2.584 1.00 0.00 H new ATOM 0 HA CYS A 34 3.058 2.042 -0.907 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.896 1.922 -1.303 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.654 2.330 0.384 1.00 0.00 H new ATOM 0 HG CYS A 34 5.951 -0.483 0.194 1.00 0.00 H new ATOM 546 N GLU A 35 4.609 4.678 0.373 1.00 0.00 N ATOM 547 CA GLU A 35 4.490 5.720 1.389 1.00 0.00 C ATOM 548 C GLU A 35 3.366 6.698 1.068 1.00 0.00 C ATOM 549 O GLU A 35 2.626 7.112 1.956 1.00 0.00 O ATOM 550 CB GLU A 35 5.811 6.476 1.534 1.00 0.00 C ATOM 551 CG GLU A 35 6.379 6.956 0.212 1.00 0.00 C ATOM 552 CD GLU A 35 6.640 8.449 0.194 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.635 8.887 0.807 1.00 0.00 O ATOM 554 OE2 GLU A 35 5.848 9.183 -0.436 1.00 0.00 O ATOM 0 H GLU A 35 5.453 4.740 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 35 4.248 5.229 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.660 7.334 2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.540 5.828 2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.309 6.426 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.685 6.703 -0.590 1.00 0.00 H new ATOM 561 N GLU A 36 3.243 7.061 -0.201 1.00 0.00 N ATOM 562 CA GLU A 36 2.203 7.990 -0.632 1.00 0.00 C ATOM 563 C GLU A 36 0.818 7.435 -0.310 1.00 0.00 C ATOM 564 O GLU A 36 -0.141 8.185 -0.124 1.00 0.00 O ATOM 565 CB GLU A 36 2.322 8.262 -2.133 1.00 0.00 C ATOM 566 CG GLU A 36 1.637 9.545 -2.575 1.00 0.00 C ATOM 567 CD GLU A 36 2.177 10.071 -3.890 1.00 0.00 C ATOM 568 OE1 GLU A 36 3.312 10.595 -3.899 1.00 0.00 O ATOM 569 OE2 GLU A 36 1.467 9.959 -4.911 1.00 0.00 O ATOM 0 H GLU A 36 3.849 6.728 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 36 2.336 8.927 -0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.377 8.312 -2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.893 7.423 -2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.566 9.366 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.765 10.305 -1.804 1.00 0.00 H new ATOM 576 N LEU A 37 0.724 6.113 -0.269 1.00 0.00 N ATOM 577 CA LEU A 37 -0.533 5.431 0.009 1.00 0.00 C ATOM 578 C LEU A 37 -0.894 5.496 1.493 1.00 0.00 C ATOM 579 O LEU A 37 -2.060 5.669 1.848 1.00 0.00 O ATOM 580 CB LEU A 37 -0.429 3.970 -0.444 1.00 0.00 C ATOM 581 CG LEU A 37 -1.578 3.057 -0.013 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.923 3.748 -0.205 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.531 1.748 -0.788 1.00 0.00 C ATOM 0 H LEU A 37 1.513 5.486 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.325 5.936 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.363 3.950 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.503 3.556 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.462 2.837 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.724 3.079 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.954 4.657 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.054 4.003 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.354 1.108 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.621 1.953 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.584 1.244 -0.594 1.00 0.00 H new ATOM 595 N LYS A 38 0.108 5.343 2.354 1.00 0.00 N ATOM 596 CA LYS A 38 -0.109 5.370 3.798 1.00 0.00 C ATOM 597 C LYS A 38 -0.641 6.724 4.268 1.00 0.00 C ATOM 598 O LYS A 38 -1.416 6.799 5.220 1.00 0.00 O ATOM 599 CB LYS A 38 1.192 5.036 4.533 1.00 0.00 C ATOM 600 CG LYS A 38 1.214 3.636 5.124 1.00 0.00 C ATOM 601 CD LYS A 38 2.610 3.037 5.087 1.00 0.00 C ATOM 602 CE LYS A 38 3.395 3.369 6.345 1.00 0.00 C ATOM 603 NZ LYS A 38 4.214 2.216 6.811 1.00 0.00 N ATOM 0 H LYS A 38 1.079 5.199 2.077 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.863 4.618 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.028 5.143 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.345 5.761 5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.859 3.669 6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.527 2.996 4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.539 1.955 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.145 3.412 4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.046 4.222 6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.705 3.667 7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.300 2.248 7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.754 1.327 6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.161 2.267 6.383 1.00 0.00 H new ATOM 617 N LYS A 39 -0.215 7.791 3.600 1.00 0.00 N ATOM 618 CA LYS A 39 -0.647 9.137 3.958 1.00 0.00 C ATOM 619 C LYS A 39 -2.043 9.426 3.418 1.00 0.00 C ATOM 620 O LYS A 39 -2.802 10.189 4.013 1.00 0.00 O ATOM 621 CB LYS A 39 0.346 10.173 3.425 1.00 0.00 C ATOM 622 CG LYS A 39 0.492 10.155 1.914 1.00 0.00 C ATOM 623 CD LYS A 39 1.635 11.047 1.454 1.00 0.00 C ATOM 624 CE LYS A 39 1.386 12.504 1.811 1.00 0.00 C ATOM 625 NZ LYS A 39 1.670 13.412 0.666 1.00 0.00 N ATOM 0 H LYS A 39 0.428 7.750 2.809 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.680 9.202 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.025 11.166 3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.321 9.995 3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.668 9.134 1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.438 10.487 1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.565 10.713 1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.760 10.952 0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.350 12.629 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.012 12.782 2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.488 14.396 0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.665 13.312 0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.055 13.163 -0.135 1.00 0.00 H new ATOM 639 N LYS A 40 -2.376 8.810 2.289 1.00 0.00 N ATOM 640 CA LYS A 40 -3.684 9.002 1.673 1.00 0.00 C ATOM 641 C LYS A 40 -4.795 8.494 2.586 1.00 0.00 C ATOM 642 O LYS A 40 -5.930 8.962 2.516 1.00 0.00 O ATOM 643 CB LYS A 40 -3.747 8.285 0.323 1.00 0.00 C ATOM 644 CG LYS A 40 -5.025 8.561 -0.452 1.00 0.00 C ATOM 645 CD LYS A 40 -4.745 8.789 -1.929 1.00 0.00 C ATOM 646 CE LYS A 40 -5.812 9.660 -2.572 1.00 0.00 C ATOM 647 NZ LYS A 40 -7.129 8.968 -2.640 1.00 0.00 N ATOM 0 H LYS A 40 -1.760 8.175 1.782 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.830 10.071 1.514 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.892 8.589 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.655 7.211 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.710 7.721 -0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.522 9.437 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.770 9.261 -2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.699 7.829 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.917 10.584 -2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.496 9.938 -3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.829 9.596 -3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.036 8.099 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.444 8.725 -1.679 1.00 0.00 H new ATOM 661 N ILE A 41 -4.461 7.538 3.448 1.00 0.00 N ATOM 662 CA ILE A 41 -5.435 6.978 4.376 1.00 0.00 C ATOM 663 C ILE A 41 -5.743 7.968 5.493 1.00 0.00 C ATOM 664 O ILE A 41 -6.851 7.990 6.030 1.00 0.00 O ATOM 665 CB ILE A 41 -4.938 5.655 4.995 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.341 4.753 3.911 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.077 4.949 5.721 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.959 3.375 4.407 1.00 0.00 C ATOM 0 H ILE A 41 -3.526 7.137 3.522 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.341 6.775 3.805 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.157 5.879 5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.061 4.650 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.458 5.237 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.711 4.017 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.456 5.592 6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.879 4.732 5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.544 2.794 3.584 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.215 3.466 5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.843 2.871 4.797 1.00 0.00 H new ATOM 680 N GLU A 42 -4.757 8.794 5.831 1.00 0.00 N ATOM 681 CA GLU A 42 -4.924 9.795 6.876 1.00 0.00 C ATOM 682 C GLU A 42 -5.878 10.892 6.415 1.00 0.00 C ATOM 683 O GLU A 42 -6.658 11.426 7.203 1.00 0.00 O ATOM 684 CB GLU A 42 -3.573 10.402 7.257 1.00 0.00 C ATOM 685 CG GLU A 42 -2.690 9.462 8.062 1.00 0.00 C ATOM 686 CD GLU A 42 -1.319 10.048 8.340 1.00 0.00 C ATOM 687 OE1 GLU A 42 -0.589 10.337 7.368 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.975 10.215 9.529 1.00 0.00 O ATOM 0 H GLU A 42 -3.835 8.789 5.396 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.348 9.307 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.046 10.694 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.742 11.311 7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.180 9.229 9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.577 8.522 7.521 1.00 0.00 H new ATOM 695 N GLU A 43 -5.811 11.217 5.127 1.00 0.00 N ATOM 696 CA GLU A 43 -6.672 12.243 4.552 1.00 0.00 C ATOM 697 C GLU A 43 -8.110 11.741 4.456 1.00 0.00 C ATOM 698 O GLU A 43 -9.061 12.521 4.513 1.00 0.00 O ATOM 699 CB GLU A 43 -6.158 12.656 3.167 1.00 0.00 C ATOM 700 CG GLU A 43 -6.360 11.607 2.083 1.00 0.00 C ATOM 701 CD GLU A 43 -6.764 12.214 0.754 1.00 0.00 C ATOM 702 OE1 GLU A 43 -7.853 12.823 0.686 1.00 0.00 O ATOM 703 OE2 GLU A 43 -5.992 12.081 -0.219 1.00 0.00 O ATOM 0 H GLU A 43 -5.169 10.784 4.463 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.653 13.116 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.661 13.574 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.095 12.885 3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.438 11.040 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.126 10.901 2.404 1.00 0.00 H new ATOM 710 N LEU A 44 -8.252 10.428 4.309 1.00 0.00 N ATOM 711 CA LEU A 44 -9.561 9.797 4.203 1.00 0.00 C ATOM 712 C LEU A 44 -10.420 10.112 5.424 1.00 0.00 C ATOM 713 O LEU A 44 -10.010 10.866 6.307 1.00 0.00 O ATOM 714 CB LEU A 44 -9.397 8.282 4.049 1.00 0.00 C ATOM 715 CG LEU A 44 -9.521 7.761 2.617 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.081 6.307 2.541 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.949 7.916 2.116 1.00 0.00 C ATOM 0 H LEU A 44 -7.469 9.776 4.260 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.065 10.195 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.421 7.996 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.146 7.786 4.666 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.867 8.352 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.175 5.951 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.042 6.224 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.710 5.702 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.019 7.540 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.623 7.350 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.229 8.969 2.135 1.00 0.00 H new ATOM 757 N GLU A 49 -15.431 6.971 0.045 1.00 0.00 N ATOM 758 CA GLU A 49 -14.225 7.143 -0.757 1.00 0.00 C ATOM 759 C GLU A 49 -13.107 6.228 -0.266 1.00 0.00 C ATOM 760 O GLU A 49 -12.188 5.898 -1.016 1.00 0.00 O ATOM 761 CB GLU A 49 -13.762 8.601 -0.712 1.00 0.00 C ATOM 762 CG GLU A 49 -12.523 8.872 -1.550 1.00 0.00 C ATOM 763 CD GLU A 49 -12.641 10.140 -2.373 1.00 0.00 C ATOM 764 OE1 GLU A 49 -13.755 10.433 -2.857 1.00 0.00 O ATOM 765 OE2 GLU A 49 -11.619 10.841 -2.533 1.00 0.00 O ATOM 0 HA GLU A 49 -14.463 6.874 -1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.573 9.242 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.558 8.877 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.655 8.948 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.347 8.027 -2.215 1.00 0.00 H new ATOM 772 N VAL A 50 -13.189 5.822 0.998 1.00 0.00 N ATOM 773 CA VAL A 50 -12.185 4.947 1.591 1.00 0.00 C ATOM 774 C VAL A 50 -11.992 3.681 0.760 1.00 0.00 C ATOM 775 O VAL A 50 -10.904 3.106 0.730 1.00 0.00 O ATOM 776 CB VAL A 50 -12.567 4.553 3.030 1.00 0.00 C ATOM 777 CG1 VAL A 50 -13.859 3.749 3.045 1.00 0.00 C ATOM 778 CG2 VAL A 50 -11.437 3.778 3.692 1.00 0.00 C ATOM 0 H VAL A 50 -13.943 6.086 1.632 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.250 5.507 1.610 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.732 5.466 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.109 3.482 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.665 4.347 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.730 2.842 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.727 3.509 4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.234 2.872 3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.540 4.397 3.722 1.00 0.00 H new ATOM 788 N LYS A 51 -13.056 3.254 0.089 1.00 0.00 N ATOM 789 CA LYS A 51 -13.006 2.056 -0.742 1.00 0.00 C ATOM 790 C LYS A 51 -12.002 2.219 -1.879 1.00 0.00 C ATOM 791 O LYS A 51 -11.358 1.254 -2.294 1.00 0.00 O ATOM 792 CB LYS A 51 -14.393 1.747 -1.309 1.00 0.00 C ATOM 793 CG LYS A 51 -14.747 0.268 -1.279 1.00 0.00 C ATOM 794 CD LYS A 51 -16.073 0.024 -0.575 1.00 0.00 C ATOM 795 CE LYS A 51 -17.239 0.587 -1.373 1.00 0.00 C ATOM 796 NZ LYS A 51 -18.536 -0.020 -0.965 1.00 0.00 N ATOM 0 H LYS A 51 -13.964 3.719 0.104 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.682 1.224 -0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.140 2.302 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.444 2.103 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.800 -0.115 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.957 -0.286 -0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.216 -1.046 -0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.051 0.483 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.285 1.667 -1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.072 0.407 -2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -19.305 0.390 -1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -18.502 -1.048 -1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.708 0.173 0.042 1.00 0.00 H new ATOM 810 N LYS A 52 -11.872 3.443 -2.380 1.00 0.00 N ATOM 811 CA LYS A 52 -10.948 3.730 -3.472 1.00 0.00 C ATOM 812 C LYS A 52 -9.509 3.429 -3.060 1.00 0.00 C ATOM 813 O LYS A 52 -8.825 2.633 -3.701 1.00 0.00 O ATOM 814 CB LYS A 52 -11.078 5.194 -3.901 1.00 0.00 C ATOM 815 CG LYS A 52 -10.009 5.646 -4.884 1.00 0.00 C ATOM 816 CD LYS A 52 -10.137 4.924 -6.216 1.00 0.00 C ATOM 817 CE LYS A 52 -9.332 3.635 -6.232 1.00 0.00 C ATOM 818 NZ LYS A 52 -8.903 3.265 -7.609 1.00 0.00 N ATOM 0 H LYS A 52 -12.395 4.253 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.204 3.088 -4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.059 5.344 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.034 5.827 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.090 6.721 -5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.022 5.460 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.186 4.701 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.796 5.577 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.454 3.748 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.930 2.828 -5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.357 2.381 -7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.741 3.132 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.311 4.023 -8.004 1.00 0.00 H new ATOM 832 N VAL A 53 -9.057 4.069 -1.986 1.00 0.00 N ATOM 833 CA VAL A 53 -7.700 3.866 -1.489 1.00 0.00 C ATOM 834 C VAL A 53 -7.427 2.389 -1.225 1.00 0.00 C ATOM 835 O VAL A 53 -6.281 1.944 -1.274 1.00 0.00 O ATOM 836 CB VAL A 53 -7.447 4.669 -0.200 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.994 4.544 0.234 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.827 6.128 -0.397 1.00 0.00 C ATOM 0 H VAL A 53 -9.610 4.732 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.021 4.222 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.074 4.256 0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.836 5.119 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.759 3.496 0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.345 4.928 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.641 6.680 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.229 6.554 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.884 6.197 -0.655 1.00 0.00 H new ATOM 848 N GLU A 54 -8.486 1.632 -0.950 1.00 0.00 N ATOM 849 CA GLU A 54 -8.352 0.205 -0.689 1.00 0.00 C ATOM 850 C GLU A 54 -7.830 -0.514 -1.927 1.00 0.00 C ATOM 851 O GLU A 54 -7.073 -1.479 -1.828 1.00 0.00 O ATOM 852 CB GLU A 54 -9.698 -0.388 -0.266 1.00 0.00 C ATOM 853 CG GLU A 54 -9.582 -1.461 0.805 1.00 0.00 C ATOM 854 CD GLU A 54 -10.863 -1.639 1.594 1.00 0.00 C ATOM 855 OE1 GLU A 54 -11.286 -0.674 2.266 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.446 -2.743 1.540 1.00 0.00 O ATOM 0 H GLU A 54 -9.443 1.983 -0.903 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.638 0.068 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.339 0.413 0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.190 -0.812 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.313 -2.408 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.773 -1.202 1.487 1.00 0.00 H new ATOM 863 N GLU A 55 -8.237 -0.026 -3.095 1.00 0.00 N ATOM 864 CA GLU A 55 -7.810 -0.608 -4.361 1.00 0.00 C ATOM 865 C GLU A 55 -6.376 -0.196 -4.681 1.00 0.00 C ATOM 866 O GLU A 55 -5.647 -0.919 -5.362 1.00 0.00 O ATOM 867 CB GLU A 55 -8.748 -0.168 -5.487 1.00 0.00 C ATOM 868 CG GLU A 55 -8.356 -0.707 -6.853 1.00 0.00 C ATOM 869 CD GLU A 55 -9.558 -1.070 -7.703 1.00 0.00 C ATOM 870 OE1 GLU A 55 -10.612 -1.414 -7.126 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.447 -1.011 -8.946 1.00 0.00 O ATOM 0 H GLU A 55 -8.864 0.773 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.848 -1.694 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.761 -0.496 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.767 0.921 -5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.758 0.039 -7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.727 -1.588 -6.725 1.00 0.00 H new ATOM 878 N GLU A 56 -5.978 0.971 -4.183 1.00 0.00 N ATOM 879 CA GLU A 56 -4.634 1.487 -4.406 1.00 0.00 C ATOM 880 C GLU A 56 -3.595 0.624 -3.695 1.00 0.00 C ATOM 881 O GLU A 56 -2.449 0.526 -4.133 1.00 0.00 O ATOM 882 CB GLU A 56 -4.539 2.933 -3.912 1.00 0.00 C ATOM 883 CG GLU A 56 -5.358 3.912 -4.739 1.00 0.00 C ATOM 884 CD GLU A 56 -4.500 4.954 -5.429 1.00 0.00 C ATOM 885 OE1 GLU A 56 -3.495 4.571 -6.065 1.00 0.00 O ATOM 886 OE2 GLU A 56 -4.833 6.155 -5.336 1.00 0.00 O ATOM 0 H GLU A 56 -6.572 1.579 -3.619 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.430 1.459 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.873 2.977 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.495 3.245 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.927 3.362 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.080 4.411 -4.093 1.00 0.00 H new ATOM 893 N VAL A 57 -4.008 0.000 -2.597 1.00 0.00 N ATOM 894 CA VAL A 57 -3.121 -0.859 -1.820 1.00 0.00 C ATOM 895 C VAL A 57 -3.032 -2.247 -2.437 1.00 0.00 C ATOM 896 O VAL A 57 -2.048 -2.958 -2.247 1.00 0.00 O ATOM 897 CB VAL A 57 -3.598 -0.996 -0.360 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.489 -1.568 0.511 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.078 0.343 0.184 1.00 0.00 C ATOM 0 H VAL A 57 -4.954 0.073 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.138 -0.387 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.441 -1.687 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.843 -1.658 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.204 -2.552 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.625 -0.905 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.409 0.219 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.261 1.064 0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.908 0.706 -0.422 1.00 0.00 H new ATOM 909 N LYS A 58 -4.072 -2.627 -3.169 1.00 0.00 N ATOM 910 CA LYS A 58 -4.124 -3.930 -3.816 1.00 0.00 C ATOM 911 C LYS A 58 -3.194 -3.985 -5.026 1.00 0.00 C ATOM 912 O LYS A 58 -2.705 -5.052 -5.395 1.00 0.00 O ATOM 913 CB LYS A 58 -5.557 -4.246 -4.244 1.00 0.00 C ATOM 914 CG LYS A 58 -6.242 -5.279 -3.364 1.00 0.00 C ATOM 915 CD LYS A 58 -6.831 -6.415 -4.187 1.00 0.00 C ATOM 916 CE LYS A 58 -6.897 -7.706 -3.388 1.00 0.00 C ATOM 917 NZ LYS A 58 -7.526 -8.810 -4.166 1.00 0.00 N ATOM 0 H LYS A 58 -4.895 -2.046 -3.329 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.789 -4.677 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.142 -3.326 -4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.549 -4.606 -5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.525 -5.681 -2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.033 -4.799 -2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.832 -6.142 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.226 -6.570 -5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.891 -8.000 -3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.465 -7.538 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.552 -9.673 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.495 -8.541 -4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.970 -8.988 -5.027 1.00 0.00 H new ATOM 931 N LYS A 59 -2.967 -2.834 -5.652 1.00 0.00 N ATOM 932 CA LYS A 59 -2.106 -2.762 -6.830 1.00 0.00 C ATOM 933 C LYS A 59 -0.631 -2.883 -6.460 1.00 0.00 C ATOM 934 O LYS A 59 0.144 -3.510 -7.180 1.00 0.00 O ATOM 935 CB LYS A 59 -2.340 -1.451 -7.582 1.00 0.00 C ATOM 936 CG LYS A 59 -1.697 -1.415 -8.961 1.00 0.00 C ATOM 937 CD LYS A 59 -0.299 -0.813 -8.915 1.00 0.00 C ATOM 938 CE LYS A 59 0.377 -0.879 -10.275 1.00 0.00 C ATOM 939 NZ LYS A 59 1.487 0.108 -10.393 1.00 0.00 N ATOM 0 H LYS A 59 -3.366 -1.940 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.365 -3.603 -7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.413 -1.289 -7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.949 -0.626 -6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.645 -2.426 -9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.322 -0.833 -9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.358 0.225 -8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.305 -1.346 -8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.766 -1.884 -10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.360 -0.692 -11.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.639 0.341 -11.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.240 0.972 -9.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.358 -0.300 -9.997 1.00 0.00 H new ATOM 953 N LEU A 60 -0.240 -2.272 -5.345 1.00 0.00 N ATOM 954 CA LEU A 60 1.152 -2.314 -4.909 1.00 0.00 C ATOM 955 C LEU A 60 1.506 -3.659 -4.284 1.00 0.00 C ATOM 956 O LEU A 60 2.664 -4.065 -4.296 1.00 0.00 O ATOM 957 CB LEU A 60 1.448 -1.188 -3.917 1.00 0.00 C ATOM 958 CG LEU A 60 2.938 -0.951 -3.663 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.266 0.533 -3.697 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.355 -1.565 -2.339 1.00 0.00 C ATOM 0 H LEU A 60 -0.862 -1.746 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 60 1.769 -2.177 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.003 -0.265 -4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.961 -1.417 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 60 3.501 -1.437 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.331 0.675 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.009 0.940 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.693 1.050 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.418 -1.387 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.781 -1.111 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.166 -2.638 -2.360 1.00 0.00 H new ATOM 972 N GLU A 61 0.509 -4.349 -3.740 1.00 0.00 N ATOM 973 CA GLU A 61 0.733 -5.647 -3.119 1.00 0.00 C ATOM 974 C GLU A 61 1.104 -6.681 -4.175 1.00 0.00 C ATOM 975 O GLU A 61 2.158 -7.315 -4.100 1.00 0.00 O ATOM 976 CB GLU A 61 -0.520 -6.090 -2.366 1.00 0.00 C ATOM 977 CG GLU A 61 -0.226 -6.715 -1.012 1.00 0.00 C ATOM 978 CD GLU A 61 -1.193 -7.828 -0.662 1.00 0.00 C ATOM 979 OE1 GLU A 61 -1.217 -8.844 -1.388 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.926 -7.686 0.340 1.00 0.00 O ATOM 0 H GLU A 61 -0.460 -4.031 -3.717 1.00 0.00 H new ATOM 0 HA GLU A 61 1.558 -5.560 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.173 -5.229 -2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.067 -6.808 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.791 -7.108 -1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.271 -5.944 -0.243 1.00 0.00 H new ATOM 987 N GLU A 62 0.236 -6.833 -5.167 1.00 0.00 N ATOM 988 CA GLU A 62 0.465 -7.772 -6.255 1.00 0.00 C ATOM 989 C GLU A 62 1.726 -7.393 -7.027 1.00 0.00 C ATOM 990 O GLU A 62 2.376 -8.242 -7.637 1.00 0.00 O ATOM 991 CB GLU A 62 -0.741 -7.787 -7.196 1.00 0.00 C ATOM 992 CG GLU A 62 -1.061 -9.163 -7.752 1.00 0.00 C ATOM 993 CD GLU A 62 -2.319 -9.173 -8.598 1.00 0.00 C ATOM 994 OE1 GLU A 62 -2.516 -8.219 -9.379 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.108 -10.134 -8.478 1.00 0.00 O ATOM 0 H GLU A 62 -0.639 -6.313 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 62 0.600 -8.768 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.613 -7.408 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.553 -7.104 -8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.221 -9.512 -8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.177 -9.866 -6.927 1.00 0.00 H new ATOM 1002 N GLU A 63 2.059 -6.108 -6.995 1.00 0.00 N ATOM 1003 CA GLU A 63 3.234 -5.599 -7.687 1.00 0.00 C ATOM 1004 C GLU A 63 4.508 -6.246 -7.150 1.00 0.00 C ATOM 1005 O GLU A 63 5.375 -6.662 -7.919 1.00 0.00 O ATOM 1006 CB GLU A 63 3.302 -4.076 -7.540 1.00 0.00 C ATOM 1007 CG GLU A 63 2.481 -3.329 -8.578 1.00 0.00 C ATOM 1008 CD GLU A 63 3.323 -2.812 -9.727 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.311 -2.094 -9.463 1.00 0.00 O ATOM 1010 OE2 GLU A 63 2.994 -3.123 -10.891 1.00 0.00 O ATOM 0 H GLU A 63 1.527 -5.397 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 63 3.152 -5.852 -8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.954 -3.799 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.342 -3.758 -7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.708 -3.990 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.973 -2.492 -8.100 1.00 0.00 H new ATOM 1017 N ILE A 64 4.612 -6.334 -5.828 1.00 0.00 N ATOM 1018 CA ILE A 64 5.774 -6.938 -5.189 1.00 0.00 C ATOM 1019 C ILE A 64 5.823 -8.440 -5.450 1.00 0.00 C ATOM 1020 O ILE A 64 6.886 -9.057 -5.389 1.00 0.00 O ATOM 1021 CB ILE A 64 5.765 -6.702 -3.666 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.452 -5.237 -3.351 1.00 0.00 C ATOM 1023 CG2 ILE A 64 7.100 -7.109 -3.060 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.480 -4.912 -1.870 1.00 0.00 C ATOM 0 H ILE A 64 3.904 -5.994 -5.178 1.00 0.00 H new ATOM 0 HA ILE A 64 6.654 -6.462 -5.621 1.00 0.00 H new ATOM 0 HB ILE A 64 4.983 -7.320 -3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.172 -4.602 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.468 -4.991 -3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.079 -6.937 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.281 -8.166 -3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.898 -6.516 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.249 -3.857 -1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.740 -5.520 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.471 -5.125 -1.469 1.00 0.00 H new ATOM 1036 N LYS A 65 4.663 -9.025 -5.738 1.00 0.00 N ATOM 1037 CA LYS A 65 4.576 -10.457 -6.002 1.00 0.00 C ATOM 1038 C LYS A 65 5.390 -10.834 -7.235 1.00 0.00 C ATOM 1039 O LYS A 65 5.974 -11.916 -7.296 1.00 0.00 O ATOM 1040 CB LYS A 65 3.115 -10.877 -6.185 1.00 0.00 C ATOM 1041 CG LYS A 65 2.555 -11.655 -5.006 1.00 0.00 C ATOM 1042 CD LYS A 65 1.752 -10.758 -4.075 1.00 0.00 C ATOM 1043 CE LYS A 65 2.094 -11.016 -2.618 1.00 0.00 C ATOM 1044 NZ LYS A 65 2.029 -9.771 -1.803 1.00 0.00 N ATOM 0 H LYS A 65 3.773 -8.530 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 65 4.990 -10.986 -5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.507 -9.987 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.030 -11.486 -7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.921 -12.463 -5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.373 -12.117 -4.452 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.949 -9.713 -4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.687 -10.927 -4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.404 -11.754 -2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.095 -11.442 -2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.460 -9.942 -0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.546 -9.011 -2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.036 -9.489 -1.678 1.00 0.00 H new ATOM 1058 N LYS A 66 5.429 -9.935 -8.212 1.00 0.00 N ATOM 1059 CA LYS A 66 6.177 -10.178 -9.440 1.00 0.00 C ATOM 1060 C LYS A 66 7.667 -10.313 -9.143 1.00 0.00 C ATOM 1061 O LYS A 66 8.260 -11.370 -9.356 1.00 0.00 O ATOM 1062 CB LYS A 66 5.944 -9.042 -10.438 1.00 0.00 C ATOM 1063 CG LYS A 66 4.571 -9.079 -11.090 1.00 0.00 C ATOM 1064 CD LYS A 66 4.647 -8.747 -12.572 1.00 0.00 C ATOM 1065 CE LYS A 66 4.564 -9.999 -13.431 1.00 0.00 C ATOM 1066 NZ LYS A 66 5.658 -10.961 -13.120 1.00 0.00 N ATOM 0 H LYS A 66 4.953 -9.034 -8.178 1.00 0.00 H new ATOM 0 HA LYS A 66 5.823 -11.111 -9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.069 -8.088 -9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.708 -9.089 -11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.132 -10.068 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.911 -8.370 -10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.835 -8.070 -12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.580 -8.223 -12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.600 -10.483 -13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.614 -9.721 -14.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.637 -11.744 -13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.575 -10.474 -13.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.527 -11.337 -12.159 1.00 0.00 H new