USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=9 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+ -149:sc= -0.279 (180deg=-1.08) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0355) 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 33 LYS NZ :NH3+ -132:sc= -0.0876 (180deg=-0.835) USER MOD Single : A 34 CYS SG : rot -160:sc= -1.86 USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -0.0461 (180deg=-0.741) USER MOD Single : A 39 LYS NZ :NH3+ 142:sc= 0.0545 (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 59 LYS NZ :NH3+ 175:sc=-0.00115 (180deg=-0.0508) USER MOD Single : A 65 LYS NZ :NH3+ 135:sc= 0.186 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 167:sc=-0.00651 (180deg=-0.126) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -7.143 -1.585 7.647 1.00 0.00 N ATOM 94 CA LEU A 7 -6.540 -1.281 6.354 1.00 0.00 C ATOM 95 C LEU A 7 -5.178 -0.614 6.528 1.00 0.00 C ATOM 96 O LEU A 7 -4.307 -0.726 5.666 1.00 0.00 O ATOM 97 CB LEU A 7 -7.463 -0.372 5.542 1.00 0.00 C ATOM 98 CG LEU A 7 -7.472 -0.637 4.035 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.610 0.120 3.367 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.136 -0.248 3.420 1.00 0.00 C ATOM 0 HA LEU A 7 -6.398 -2.220 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.479 -0.481 5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.169 0.664 5.712 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.629 -1.703 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.601 -0.080 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.561 -0.206 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.485 1.189 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.159 -0.443 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.951 0.812 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.340 -0.835 3.878 1.00 0.00 H new ATOM 112 N GLU A 8 -5.002 0.083 7.646 1.00 0.00 N ATOM 113 CA GLU A 8 -3.748 0.772 7.930 1.00 0.00 C ATOM 114 C GLU A 8 -2.650 -0.215 8.318 1.00 0.00 C ATOM 115 O GLU A 8 -1.476 0.006 8.025 1.00 0.00 O ATOM 116 CB GLU A 8 -3.947 1.795 9.049 1.00 0.00 C ATOM 117 CG GLU A 8 -4.435 3.148 8.558 1.00 0.00 C ATOM 118 CD GLU A 8 -4.664 4.132 9.689 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.754 4.093 10.297 1.00 0.00 O ATOM 120 OE2 GLU A 8 -3.753 4.939 9.967 1.00 0.00 O ATOM 0 H GLU A 8 -5.712 0.186 8.371 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.437 1.288 7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.664 1.399 9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.004 1.929 9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.705 3.563 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.364 3.015 8.003 1.00 0.00 H new ATOM 127 N GLU A 9 -3.039 -1.299 8.981 1.00 0.00 N ATOM 128 CA GLU A 9 -2.081 -2.315 9.410 1.00 0.00 C ATOM 129 C GLU A 9 -1.656 -3.206 8.244 1.00 0.00 C ATOM 130 O GLU A 9 -0.617 -3.863 8.301 1.00 0.00 O ATOM 131 CB GLU A 9 -2.677 -3.166 10.536 1.00 0.00 C ATOM 132 CG GLU A 9 -3.808 -4.079 10.089 1.00 0.00 C ATOM 133 CD GLU A 9 -3.727 -5.457 10.715 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.068 -6.340 10.127 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.322 -5.654 11.796 1.00 0.00 O ATOM 0 H GLU A 9 -4.007 -1.497 9.233 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.194 -1.802 9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.886 -3.773 10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.046 -2.505 11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.763 -3.622 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.785 -4.175 9.004 1.00 0.00 H new ATOM 142 N LYS A 10 -2.467 -3.229 7.189 1.00 0.00 N ATOM 143 CA LYS A 10 -2.176 -4.044 6.015 1.00 0.00 C ATOM 144 C LYS A 10 -0.957 -3.513 5.266 1.00 0.00 C ATOM 145 O LYS A 10 -0.029 -4.260 4.960 1.00 0.00 O ATOM 146 CB LYS A 10 -3.390 -4.078 5.083 1.00 0.00 C ATOM 147 CG LYS A 10 -3.967 -5.470 4.886 1.00 0.00 C ATOM 148 CD LYS A 10 -3.420 -6.129 3.629 1.00 0.00 C ATOM 149 CE LYS A 10 -2.937 -7.543 3.903 1.00 0.00 C ATOM 150 NZ LYS A 10 -1.953 -7.587 5.020 1.00 0.00 N ATOM 0 H LYS A 10 -3.331 -2.692 7.124 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.954 -5.056 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.165 -3.426 5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.104 -3.672 4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.733 -6.088 5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.053 -5.409 4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.195 -6.151 2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.597 -5.533 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.790 -8.177 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.481 -7.952 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.282 -8.365 4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.435 -6.686 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.454 -7.740 5.918 1.00 0.00 H new ATOM 164 N VAL A 11 -0.972 -2.218 4.970 1.00 0.00 N ATOM 165 CA VAL A 11 0.127 -1.580 4.252 1.00 0.00 C ATOM 166 C VAL A 11 1.356 -1.430 5.136 1.00 0.00 C ATOM 167 O VAL A 11 2.483 -1.428 4.650 1.00 0.00 O ATOM 168 CB VAL A 11 -0.278 -0.193 3.711 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.817 0.381 2.824 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.599 -0.274 2.959 1.00 0.00 C ATOM 0 H VAL A 11 -1.735 -1.587 5.217 1.00 0.00 H new ATOM 0 HA VAL A 11 0.368 -2.232 3.412 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.411 0.478 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.510 1.359 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.736 0.484 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.990 -0.288 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.866 0.715 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.499 -0.963 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.379 -0.631 3.631 1.00 0.00 H new ATOM 180 N LYS A 12 1.126 -1.300 6.432 1.00 0.00 N ATOM 181 CA LYS A 12 2.212 -1.148 7.396 1.00 0.00 C ATOM 182 C LYS A 12 3.117 -2.373 7.374 1.00 0.00 C ATOM 183 O LYS A 12 4.336 -2.262 7.501 1.00 0.00 O ATOM 184 CB LYS A 12 1.651 -0.935 8.803 1.00 0.00 C ATOM 185 CG LYS A 12 2.616 -0.232 9.743 1.00 0.00 C ATOM 186 CD LYS A 12 2.232 -0.447 11.198 1.00 0.00 C ATOM 187 CE LYS A 12 2.983 -1.621 11.804 1.00 0.00 C ATOM 188 NZ LYS A 12 2.206 -2.276 12.892 1.00 0.00 N ATOM 0 H LYS A 12 0.194 -1.296 6.846 1.00 0.00 H new ATOM 0 HA LYS A 12 2.799 -0.273 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.733 -0.351 8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.382 -1.902 9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.627 -0.604 9.574 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.628 0.835 9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.445 0.457 11.769 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.159 -0.624 11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.204 -2.351 11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.939 -1.276 12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.753 -3.072 13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.017 -1.586 13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.305 -2.628 12.511 1.00 0.00 H new ATOM 202 N ALA A 13 2.511 -3.539 7.186 1.00 0.00 N ATOM 203 CA ALA A 13 3.263 -4.787 7.114 1.00 0.00 C ATOM 204 C ALA A 13 3.841 -4.954 5.715 1.00 0.00 C ATOM 205 O ALA A 13 4.840 -5.643 5.510 1.00 0.00 O ATOM 206 CB ALA A 13 2.374 -5.968 7.473 1.00 0.00 C ATOM 0 H ALA A 13 1.502 -3.647 7.081 1.00 0.00 H new ATOM 0 HA ALA A 13 4.081 -4.752 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.952 -6.890 7.414 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.994 -5.842 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.538 -6.019 6.776 1.00 0.00 H new ATOM 212 N LEU A 14 3.193 -4.296 4.764 1.00 0.00 N ATOM 213 CA LEU A 14 3.597 -4.319 3.370 1.00 0.00 C ATOM 214 C LEU A 14 4.952 -3.636 3.184 1.00 0.00 C ATOM 215 O LEU A 14 5.678 -3.919 2.232 1.00 0.00 O ATOM 216 CB LEU A 14 2.522 -3.621 2.536 1.00 0.00 C ATOM 217 CG LEU A 14 2.394 -4.100 1.090 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.932 -4.111 0.668 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.209 -3.222 0.155 1.00 0.00 C ATOM 0 H LEU A 14 2.365 -3.727 4.942 1.00 0.00 H new ATOM 0 HA LEU A 14 3.704 -5.352 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.560 -3.755 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.731 -2.551 2.528 1.00 0.00 H new ATOM 0 HG LEU A 14 2.785 -5.115 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.854 -4.454 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.371 -4.783 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.523 -3.104 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.102 -3.583 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.851 -2.194 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.259 -3.259 0.445 1.00 0.00 H new ATOM 231 N GLU A 15 5.277 -2.727 4.100 1.00 0.00 N ATOM 232 CA GLU A 15 6.532 -1.987 4.050 1.00 0.00 C ATOM 233 C GLU A 15 7.706 -2.860 4.486 1.00 0.00 C ATOM 234 O GLU A 15 8.740 -2.902 3.820 1.00 0.00 O ATOM 235 CB GLU A 15 6.432 -0.742 4.942 1.00 0.00 C ATOM 236 CG GLU A 15 7.764 -0.061 5.213 1.00 0.00 C ATOM 237 CD GLU A 15 7.632 1.125 6.149 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.812 2.020 5.861 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.350 1.156 7.170 1.00 0.00 O ATOM 0 H GLU A 15 4.682 -2.485 4.892 1.00 0.00 H new ATOM 0 HA GLU A 15 6.712 -1.680 3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.759 -0.025 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.981 -1.025 5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.457 -0.784 5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.197 0.272 4.269 1.00 0.00 H new ATOM 246 N GLU A 16 7.542 -3.554 5.608 1.00 0.00 N ATOM 247 CA GLU A 16 8.592 -4.423 6.133 1.00 0.00 C ATOM 248 C GLU A 16 9.120 -5.365 5.052 1.00 0.00 C ATOM 249 O GLU A 16 10.275 -5.787 5.094 1.00 0.00 O ATOM 250 CB GLU A 16 8.065 -5.234 7.318 1.00 0.00 C ATOM 251 CG GLU A 16 7.542 -4.375 8.457 1.00 0.00 C ATOM 252 CD GLU A 16 7.925 -4.918 9.821 1.00 0.00 C ATOM 253 OE1 GLU A 16 8.229 -6.126 9.914 1.00 0.00 O ATOM 254 OE2 GLU A 16 7.921 -4.135 10.794 1.00 0.00 O ATOM 0 H GLU A 16 6.692 -3.532 6.172 1.00 0.00 H new ATOM 0 HA GLU A 16 9.414 -3.791 6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.266 -5.890 6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.863 -5.874 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.930 -3.362 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.456 -4.309 8.388 1.00 0.00 H new ATOM 261 N LYS A 17 8.265 -5.690 4.088 1.00 0.00 N ATOM 262 CA LYS A 17 8.646 -6.581 2.998 1.00 0.00 C ATOM 263 C LYS A 17 9.525 -5.865 1.977 1.00 0.00 C ATOM 264 O LYS A 17 10.503 -6.427 1.483 1.00 0.00 O ATOM 265 CB LYS A 17 7.397 -7.138 2.310 1.00 0.00 C ATOM 266 CG LYS A 17 7.562 -8.565 1.813 1.00 0.00 C ATOM 267 CD LYS A 17 6.969 -8.746 0.425 1.00 0.00 C ATOM 268 CE LYS A 17 6.642 -10.204 0.144 1.00 0.00 C ATOM 269 NZ LYS A 17 5.407 -10.642 0.852 1.00 0.00 N ATOM 0 H LYS A 17 7.305 -5.350 4.039 1.00 0.00 H new ATOM 0 HA LYS A 17 9.221 -7.403 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.560 -7.099 3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.140 -6.496 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.621 -8.824 1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.079 -9.251 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.064 -8.145 0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.672 -8.379 -0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.516 -10.348 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.479 -10.830 0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.114 -11.573 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.596 -10.707 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.647 -9.952 0.684 1.00 0.00 H new ATOM 283 N VAL A 18 9.169 -4.623 1.659 1.00 0.00 N ATOM 284 CA VAL A 18 9.925 -3.835 0.690 1.00 0.00 C ATOM 285 C VAL A 18 11.229 -3.321 1.287 1.00 0.00 C ATOM 286 O VAL A 18 12.307 -3.550 0.738 1.00 0.00 O ATOM 287 CB VAL A 18 9.113 -2.633 0.174 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.676 -2.135 -1.147 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.641 -2.993 0.032 1.00 0.00 C ATOM 0 H VAL A 18 8.363 -4.141 2.058 1.00 0.00 H new ATOM 0 HA VAL A 18 10.144 -4.503 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 18 9.194 -1.829 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.089 -1.285 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.712 -1.827 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.631 -2.935 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.088 -2.128 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.534 -3.817 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.245 -3.293 1.002 1.00 0.00 H new ATOM 299 N LYS A 19 11.126 -2.618 2.411 1.00 0.00 N ATOM 300 CA LYS A 19 12.300 -2.063 3.080 1.00 0.00 C ATOM 301 C LYS A 19 13.378 -3.126 3.285 1.00 0.00 C ATOM 302 O LYS A 19 14.569 -2.817 3.312 1.00 0.00 O ATOM 303 CB LYS A 19 11.905 -1.454 4.425 1.00 0.00 C ATOM 304 CG LYS A 19 11.039 -0.212 4.298 1.00 0.00 C ATOM 305 CD LYS A 19 11.262 0.747 5.459 1.00 0.00 C ATOM 306 CE LYS A 19 11.942 2.028 5.001 1.00 0.00 C ATOM 307 NZ LYS A 19 12.485 2.812 6.145 1.00 0.00 N ATOM 0 H LYS A 19 10.242 -2.419 2.878 1.00 0.00 H new ATOM 0 HA LYS A 19 12.711 -1.283 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.370 -2.202 5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.809 -1.202 4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.263 0.294 3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.989 -0.502 4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.305 0.987 5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.872 0.262 6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.751 1.783 4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.229 2.640 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.940 3.677 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.710 3.069 6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.185 2.239 6.658 1.00 0.00 H new ATOM 321 N ALA A 20 12.952 -4.376 3.426 1.00 0.00 N ATOM 322 CA ALA A 20 13.883 -5.482 3.627 1.00 0.00 C ATOM 323 C ALA A 20 14.281 -6.124 2.299 1.00 0.00 C ATOM 324 O ALA A 20 15.214 -6.925 2.241 1.00 0.00 O ATOM 325 CB ALA A 20 13.272 -6.522 4.554 1.00 0.00 C ATOM 0 H ALA A 20 11.970 -4.650 3.405 1.00 0.00 H new ATOM 0 HA ALA A 20 14.786 -5.081 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.976 -7.342 4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.049 -6.064 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.352 -6.906 4.114 1.00 0.00 H new ATOM 331 N LEU A 21 13.568 -5.767 1.233 1.00 0.00 N ATOM 332 CA LEU A 21 13.844 -6.306 -0.091 1.00 0.00 C ATOM 333 C LEU A 21 15.181 -5.796 -0.619 1.00 0.00 C ATOM 334 O LEU A 21 16.144 -6.555 -0.739 1.00 0.00 O ATOM 335 CB LEU A 21 12.717 -5.921 -1.050 1.00 0.00 C ATOM 336 CG LEU A 21 12.220 -7.048 -1.956 1.00 0.00 C ATOM 337 CD1 LEU A 21 11.026 -6.585 -2.777 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.339 -7.535 -2.864 1.00 0.00 C ATOM 0 H LEU A 21 12.793 -5.104 1.264 1.00 0.00 H new ATOM 0 HA LEU A 21 13.901 -7.392 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.876 -5.548 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 21 13.060 -5.097 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 21 11.902 -7.880 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.686 -7.400 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.218 -6.287 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.317 -5.736 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.967 -8.337 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.689 -6.710 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.164 -7.907 -2.257 1.00 0.00 H new ATOM 371 N GLY A 25 14.348 -1.806 -10.104 1.00 0.00 N ATOM 372 CA GLY A 25 13.271 -1.254 -10.905 1.00 0.00 C ATOM 373 C GLY A 25 11.911 -1.456 -10.266 1.00 0.00 C ATOM 374 O GLY A 25 11.289 -0.502 -9.798 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.444 -0.188 -11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.279 -1.720 -11.890 1.00 0.00 H new ATOM 378 N ARG A 26 11.447 -2.702 -10.246 1.00 0.00 N ATOM 379 CA ARG A 26 10.150 -3.027 -9.661 1.00 0.00 C ATOM 380 C ARG A 26 10.060 -2.538 -8.218 1.00 0.00 C ATOM 381 O ARG A 26 8.975 -2.249 -7.717 1.00 0.00 O ATOM 382 CB ARG A 26 9.899 -4.539 -9.720 1.00 0.00 C ATOM 383 CG ARG A 26 10.687 -5.334 -8.688 1.00 0.00 C ATOM 384 CD ARG A 26 12.180 -5.258 -8.954 1.00 0.00 C ATOM 385 NE ARG A 26 12.907 -6.372 -8.349 1.00 0.00 N ATOM 386 CZ ARG A 26 13.070 -7.557 -8.933 1.00 0.00 C ATOM 387 NH1 ARG A 26 12.554 -7.794 -10.134 1.00 0.00 N ATOM 388 NH2 ARG A 26 13.751 -8.512 -8.314 1.00 0.00 N ATOM 0 H ARG A 26 11.950 -3.503 -10.628 1.00 0.00 H new ATOM 0 HA ARG A 26 9.383 -2.517 -10.244 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.835 -4.727 -9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.154 -4.901 -10.716 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.473 -4.951 -7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.365 -6.375 -8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.356 -5.253 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.569 -4.318 -8.564 1.00 0.00 H new ATOM 0 HE ARG A 26 13.314 -6.233 -7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.028 -7.065 -10.616 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.684 -8.705 -10.574 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.149 -8.338 -7.391 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.876 -9.420 -8.761 1.00 0.00 H new ATOM 402 N ILE A 27 11.209 -2.455 -7.554 1.00 0.00 N ATOM 403 CA ILE A 27 11.259 -2.011 -6.169 1.00 0.00 C ATOM 404 C ILE A 27 11.093 -0.498 -6.066 1.00 0.00 C ATOM 405 O ILE A 27 10.586 0.011 -5.068 1.00 0.00 O ATOM 406 CB ILE A 27 12.583 -2.424 -5.490 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.772 -3.940 -5.574 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.607 -1.963 -4.038 1.00 0.00 C ATOM 409 CD1 ILE A 27 14.114 -4.411 -5.060 1.00 0.00 C ATOM 0 H ILE A 27 12.117 -2.690 -7.955 1.00 0.00 H new ATOM 0 HA ILE A 27 10.431 -2.497 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 27 13.407 -1.941 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.982 -4.429 -5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.658 -4.255 -6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.548 -2.263 -3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.514 -0.878 -3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.777 -2.418 -3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 27 14.178 -5.495 -5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.910 -3.951 -5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.223 -4.127 -4.013 1.00 0.00 H new ATOM 421 N GLU A 28 11.529 0.216 -7.099 1.00 0.00 N ATOM 422 CA GLU A 28 11.431 1.671 -7.117 1.00 0.00 C ATOM 423 C GLU A 28 9.976 2.125 -7.214 1.00 0.00 C ATOM 424 O GLU A 28 9.550 3.021 -6.489 1.00 0.00 O ATOM 425 CB GLU A 28 12.234 2.242 -8.289 1.00 0.00 C ATOM 426 CG GLU A 28 12.759 3.646 -8.038 1.00 0.00 C ATOM 427 CD GLU A 28 11.828 4.720 -8.567 1.00 0.00 C ATOM 428 OE1 GLU A 28 11.200 4.493 -9.623 1.00 0.00 O ATOM 429 OE2 GLU A 28 11.725 5.787 -7.926 1.00 0.00 O ATOM 0 H GLU A 28 11.953 -0.189 -7.934 1.00 0.00 H new ATOM 0 HA GLU A 28 11.845 2.046 -6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.075 1.581 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.605 2.252 -9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.903 3.790 -6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.736 3.754 -8.508 1.00 0.00 H new ATOM 436 N GLU A 29 9.218 1.502 -8.112 1.00 0.00 N ATOM 437 CA GLU A 29 7.810 1.848 -8.295 1.00 0.00 C ATOM 438 C GLU A 29 6.986 1.423 -7.085 1.00 0.00 C ATOM 439 O GLU A 29 5.968 2.038 -6.765 1.00 0.00 O ATOM 440 CB GLU A 29 7.259 1.184 -9.560 1.00 0.00 C ATOM 441 CG GLU A 29 5.777 1.444 -9.791 1.00 0.00 C ATOM 442 CD GLU A 29 5.497 2.867 -10.234 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.166 3.338 -11.176 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.608 3.510 -9.636 1.00 0.00 O ATOM 0 H GLU A 29 9.553 0.757 -8.723 1.00 0.00 H new ATOM 0 HA GLU A 29 7.738 2.930 -8.401 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.821 1.543 -10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.425 0.109 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.404 0.752 -10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.228 1.239 -8.872 1.00 0.00 H new ATOM 451 N LEU A 30 7.433 0.366 -6.417 1.00 0.00 N ATOM 452 CA LEU A 30 6.742 -0.151 -5.243 1.00 0.00 C ATOM 453 C LEU A 30 6.964 0.747 -4.029 1.00 0.00 C ATOM 454 O LEU A 30 6.194 0.710 -3.072 1.00 0.00 O ATOM 455 CB LEU A 30 7.233 -1.567 -4.926 1.00 0.00 C ATOM 456 CG LEU A 30 6.641 -2.671 -5.802 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.503 -3.924 -5.745 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.218 -2.984 -5.368 1.00 0.00 C ATOM 0 H LEU A 30 8.275 -0.151 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 30 5.675 -0.172 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.318 -1.589 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.003 -1.789 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 30 6.621 -2.318 -6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.063 -4.697 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.506 -3.692 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.557 -4.282 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.810 -3.772 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.219 -3.316 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.604 -2.088 -5.462 1.00 0.00 H new ATOM 470 N LYS A 31 8.037 1.533 -4.066 1.00 0.00 N ATOM 471 CA LYS A 31 8.381 2.423 -2.962 1.00 0.00 C ATOM 472 C LYS A 31 7.540 3.698 -2.953 1.00 0.00 C ATOM 473 O LYS A 31 6.858 3.988 -1.976 1.00 0.00 O ATOM 474 CB LYS A 31 9.864 2.787 -3.039 1.00 0.00 C ATOM 475 CG LYS A 31 10.321 3.718 -1.931 1.00 0.00 C ATOM 476 CD LYS A 31 11.752 3.420 -1.509 1.00 0.00 C ATOM 477 CE LYS A 31 11.888 3.345 0.005 1.00 0.00 C ATOM 478 NZ LYS A 31 12.485 2.054 0.444 1.00 0.00 N ATOM 0 H LYS A 31 8.685 1.571 -4.853 1.00 0.00 H new ATOM 0 HA LYS A 31 8.169 1.888 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.456 1.873 -3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.064 3.257 -4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.248 4.752 -2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.658 3.616 -1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.073 2.476 -1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.414 4.194 -1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.508 4.170 0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.907 3.466 0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.561 2.042 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.880 1.268 0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.432 1.949 0.026 1.00 0.00 H new ATOM 492 N LYS A 32 7.615 4.465 -4.033 1.00 0.00 N ATOM 493 CA LYS A 32 6.884 5.727 -4.142 1.00 0.00 C ATOM 494 C LYS A 32 5.405 5.565 -3.795 1.00 0.00 C ATOM 495 O LYS A 32 4.886 6.249 -2.915 1.00 0.00 O ATOM 496 CB LYS A 32 7.023 6.297 -5.555 1.00 0.00 C ATOM 497 CG LYS A 32 8.429 6.769 -5.884 1.00 0.00 C ATOM 498 CD LYS A 32 8.674 8.182 -5.380 1.00 0.00 C ATOM 499 CE LYS A 32 10.118 8.607 -5.594 1.00 0.00 C ATOM 500 NZ LYS A 32 10.279 9.428 -6.825 1.00 0.00 N ATOM 0 H LYS A 32 8.178 4.236 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 32 7.321 6.418 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.726 5.535 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.332 7.132 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.156 6.091 -5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.583 6.734 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.009 8.874 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.430 8.238 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.460 9.177 -4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.750 7.722 -5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.278 9.697 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.977 8.876 -7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.696 10.286 -6.749 1.00 0.00 H new ATOM 514 N LYS A 33 4.734 4.670 -4.505 1.00 0.00 N ATOM 515 CA LYS A 33 3.309 4.428 -4.288 1.00 0.00 C ATOM 516 C LYS A 33 3.030 3.872 -2.890 1.00 0.00 C ATOM 517 O LYS A 33 1.923 4.008 -2.373 1.00 0.00 O ATOM 518 CB LYS A 33 2.771 3.465 -5.351 1.00 0.00 C ATOM 519 CG LYS A 33 1.522 3.972 -6.052 1.00 0.00 C ATOM 520 CD LYS A 33 0.294 3.841 -5.165 1.00 0.00 C ATOM 521 CE LYS A 33 -0.132 2.390 -5.014 1.00 0.00 C ATOM 522 NZ LYS A 33 -0.529 1.790 -6.319 1.00 0.00 N ATOM 0 H LYS A 33 5.151 4.097 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 33 2.797 5.387 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.548 3.286 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.551 2.506 -4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.660 5.016 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.368 3.411 -6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.507 4.263 -4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.526 4.420 -5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.687 1.814 -4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.967 2.327 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.437 1.295 -6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.627 2.542 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.199 1.114 -6.626 1.00 0.00 H new ATOM 536 N CYS A 34 4.027 3.224 -2.300 1.00 0.00 N ATOM 537 CA CYS A 34 3.876 2.621 -0.975 1.00 0.00 C ATOM 538 C CYS A 34 3.553 3.651 0.111 1.00 0.00 C ATOM 539 O CYS A 34 2.547 3.529 0.809 1.00 0.00 O ATOM 540 CB CYS A 34 5.158 1.872 -0.602 1.00 0.00 C ATOM 541 SG CYS A 34 4.907 0.103 -0.254 1.00 0.00 S ATOM 0 H CYS A 34 4.950 3.101 -2.716 1.00 0.00 H new ATOM 0 HA CYS A 34 3.033 1.933 -1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.876 1.973 -1.416 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.601 2.345 0.274 1.00 0.00 H new ATOM 0 HG CYS A 34 5.909 -0.349 0.440 1.00 0.00 H new ATOM 546 N GLU A 35 4.422 4.645 0.270 1.00 0.00 N ATOM 547 CA GLU A 35 4.231 5.667 1.296 1.00 0.00 C ATOM 548 C GLU A 35 3.044 6.572 0.984 1.00 0.00 C ATOM 549 O GLU A 35 2.148 6.728 1.809 1.00 0.00 O ATOM 550 CB GLU A 35 5.500 6.503 1.464 1.00 0.00 C ATOM 551 CG GLU A 35 6.083 6.989 0.151 1.00 0.00 C ATOM 552 CD GLU A 35 6.369 8.478 0.150 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.403 9.267 0.081 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.558 8.855 0.218 1.00 0.00 O ATOM 0 H GLU A 35 5.262 4.765 -0.296 1.00 0.00 H new ATOM 0 HA GLU A 35 4.017 5.150 2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.277 7.364 2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.250 5.910 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.006 6.446 -0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.390 6.756 -0.657 1.00 0.00 H new ATOM 561 N GLU A 36 3.041 7.170 -0.203 1.00 0.00 N ATOM 562 CA GLU A 36 1.960 8.062 -0.610 1.00 0.00 C ATOM 563 C GLU A 36 0.594 7.434 -0.335 1.00 0.00 C ATOM 564 O GLU A 36 -0.391 8.134 -0.105 1.00 0.00 O ATOM 565 CB GLU A 36 2.088 8.406 -2.095 1.00 0.00 C ATOM 566 CG GLU A 36 0.990 9.326 -2.606 1.00 0.00 C ATOM 567 CD GLU A 36 1.533 10.504 -3.391 1.00 0.00 C ATOM 568 OE1 GLU A 36 2.213 11.358 -2.785 1.00 0.00 O ATOM 569 OE2 GLU A 36 1.278 10.573 -4.612 1.00 0.00 O ATOM 0 H GLU A 36 3.776 7.053 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 36 2.040 8.977 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.055 8.878 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.076 7.483 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.309 8.756 -3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.408 9.695 -1.761 1.00 0.00 H new ATOM 576 N LEU A 37 0.550 6.107 -0.369 1.00 0.00 N ATOM 577 CA LEU A 37 -0.684 5.371 -0.132 1.00 0.00 C ATOM 578 C LEU A 37 -1.116 5.473 1.330 1.00 0.00 C ATOM 579 O LEU A 37 -2.305 5.580 1.629 1.00 0.00 O ATOM 580 CB LEU A 37 -0.493 3.903 -0.529 1.00 0.00 C ATOM 581 CG LEU A 37 -1.617 2.945 -0.113 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.983 3.600 -0.280 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.538 1.656 -0.922 1.00 0.00 C ATOM 0 H LEU A 37 1.360 5.517 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.472 5.812 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.380 3.851 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.441 3.547 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.488 2.704 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.762 2.900 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.037 4.493 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.129 3.877 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.341 0.985 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.640 1.885 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.576 1.174 -0.746 1.00 0.00 H new ATOM 595 N LYS A 38 -0.143 5.436 2.234 1.00 0.00 N ATOM 596 CA LYS A 38 -0.425 5.518 3.664 1.00 0.00 C ATOM 597 C LYS A 38 -1.053 6.862 4.030 1.00 0.00 C ATOM 598 O LYS A 38 -2.155 6.914 4.575 1.00 0.00 O ATOM 599 CB LYS A 38 0.858 5.307 4.470 1.00 0.00 C ATOM 600 CG LYS A 38 1.098 3.857 4.862 1.00 0.00 C ATOM 601 CD LYS A 38 2.452 3.676 5.528 1.00 0.00 C ATOM 602 CE LYS A 38 2.728 2.215 5.841 1.00 0.00 C ATOM 603 NZ LYS A 38 3.598 1.580 4.812 1.00 0.00 N ATOM 0 H LYS A 38 0.847 5.350 2.003 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.138 4.731 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.707 5.662 3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.815 5.917 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.311 3.528 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.040 3.225 3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.234 4.063 4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.487 4.259 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.205 2.137 6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.784 1.673 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.393 0.561 4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.412 2.014 3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.596 1.721 5.067 1.00 0.00 H new ATOM 617 N LYS A 39 -0.343 7.946 3.729 1.00 0.00 N ATOM 618 CA LYS A 39 -0.825 9.291 4.027 1.00 0.00 C ATOM 619 C LYS A 39 -2.246 9.498 3.509 1.00 0.00 C ATOM 620 O LYS A 39 -3.005 10.296 4.058 1.00 0.00 O ATOM 621 CB LYS A 39 0.111 10.336 3.416 1.00 0.00 C ATOM 622 CG LYS A 39 0.326 10.166 1.921 1.00 0.00 C ATOM 623 CD LYS A 39 1.540 10.947 1.443 1.00 0.00 C ATOM 624 CE LYS A 39 1.318 11.529 0.057 1.00 0.00 C ATOM 625 NZ LYS A 39 2.046 12.815 -0.128 1.00 0.00 N ATOM 0 H LYS A 39 0.571 7.918 3.277 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.838 9.409 5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.296 11.329 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.076 10.286 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.457 9.109 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.560 10.503 1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.756 11.751 2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.412 10.293 1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.649 10.813 -0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.252 11.689 -0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.424 12.864 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.393 13.609 0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.830 12.871 0.553 1.00 0.00 H new ATOM 639 N LYS A 40 -2.600 8.774 2.452 1.00 0.00 N ATOM 640 CA LYS A 40 -3.931 8.881 1.868 1.00 0.00 C ATOM 641 C LYS A 40 -4.980 8.269 2.791 1.00 0.00 C ATOM 642 O LYS A 40 -6.138 8.681 2.787 1.00 0.00 O ATOM 643 CB LYS A 40 -3.970 8.193 0.502 1.00 0.00 C ATOM 644 CG LYS A 40 -5.130 8.640 -0.372 1.00 0.00 C ATOM 645 CD LYS A 40 -4.925 8.231 -1.822 1.00 0.00 C ATOM 646 CE LYS A 40 -5.520 9.252 -2.778 1.00 0.00 C ATOM 647 NZ LYS A 40 -7.007 9.174 -2.819 1.00 0.00 N ATOM 0 H LYS A 40 -1.985 8.109 1.984 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.160 9.939 1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.035 8.390 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.032 7.115 0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.057 8.206 0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.237 9.723 -0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.859 8.121 -2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.384 7.258 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.217 10.254 -2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.120 9.088 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.374 9.886 -3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.296 8.226 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.390 9.355 -1.869 1.00 0.00 H new ATOM 661 N ILE A 41 -4.566 7.287 3.586 1.00 0.00 N ATOM 662 CA ILE A 41 -5.473 6.629 4.518 1.00 0.00 C ATOM 663 C ILE A 41 -5.773 7.537 5.705 1.00 0.00 C ATOM 664 O ILE A 41 -6.866 7.503 6.268 1.00 0.00 O ATOM 665 CB ILE A 41 -4.893 5.298 5.035 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.289 4.496 3.878 1.00 0.00 C ATOM 667 CG2 ILE A 41 -5.972 4.493 5.745 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.811 3.116 4.278 1.00 0.00 C ATOM 0 H ILE A 41 -3.610 6.931 3.603 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.393 6.418 3.973 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.100 5.515 5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.033 4.398 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.451 5.054 3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.549 3.555 6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.357 5.065 6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.784 4.281 5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.396 2.608 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.043 3.205 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.650 2.540 4.669 1.00 0.00 H new ATOM 680 N GLU A 42 -4.793 8.359 6.074 1.00 0.00 N ATOM 681 CA GLU A 42 -4.952 9.286 7.186 1.00 0.00 C ATOM 682 C GLU A 42 -5.970 10.364 6.835 1.00 0.00 C ATOM 683 O GLU A 42 -6.738 10.811 7.687 1.00 0.00 O ATOM 684 CB GLU A 42 -3.610 9.929 7.542 1.00 0.00 C ATOM 685 CG GLU A 42 -2.476 8.928 7.689 1.00 0.00 C ATOM 686 CD GLU A 42 -1.365 9.436 8.587 1.00 0.00 C ATOM 687 OE1 GLU A 42 -1.275 10.666 8.785 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.585 8.602 9.095 1.00 0.00 O ATOM 0 H GLU A 42 -3.882 8.400 5.618 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.313 8.728 8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.347 10.652 6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.718 10.483 8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.869 7.996 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.067 8.700 6.705 1.00 0.00 H new ATOM 695 N GLU A 43 -5.974 10.772 5.569 1.00 0.00 N ATOM 696 CA GLU A 43 -6.902 11.790 5.097 1.00 0.00 C ATOM 697 C GLU A 43 -8.320 11.231 5.030 1.00 0.00 C ATOM 698 O GLU A 43 -9.300 11.960 5.187 1.00 0.00 O ATOM 699 CB GLU A 43 -6.467 12.312 3.721 1.00 0.00 C ATOM 700 CG GLU A 43 -6.700 11.336 2.575 1.00 0.00 C ATOM 701 CD GLU A 43 -7.337 11.997 1.368 1.00 0.00 C ATOM 702 OE1 GLU A 43 -7.188 13.228 1.218 1.00 0.00 O ATOM 703 OE2 GLU A 43 -7.985 11.284 0.573 1.00 0.00 O ATOM 0 H GLU A 43 -5.344 10.412 4.853 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.892 12.621 5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.005 13.236 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.407 12.562 3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.749 10.892 2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.339 10.523 2.919 1.00 0.00 H new ATOM 710 N LEU A 44 -8.412 9.928 4.795 1.00 0.00 N ATOM 711 CA LEU A 44 -9.697 9.246 4.702 1.00 0.00 C ATOM 712 C LEU A 44 -10.452 9.324 6.025 1.00 0.00 C ATOM 713 O LEU A 44 -9.873 9.643 7.063 1.00 0.00 O ATOM 714 CB LEU A 44 -9.482 7.785 4.304 1.00 0.00 C ATOM 715 CG LEU A 44 -9.461 7.520 2.798 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.085 6.073 2.517 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.810 7.854 2.180 1.00 0.00 C ATOM 0 H LEU A 44 -7.605 9.318 4.664 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.297 9.742 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.539 7.443 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.272 7.182 4.752 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.708 8.164 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.075 5.902 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.096 5.868 2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.815 5.410 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.777 7.660 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.583 7.236 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.038 8.906 2.351 1.00 0.00 H new ATOM 757 N GLU A 49 -14.809 7.595 -0.444 1.00 0.00 N ATOM 758 CA GLU A 49 -13.461 7.686 -0.993 1.00 0.00 C ATOM 759 C GLU A 49 -12.604 6.507 -0.542 1.00 0.00 C ATOM 760 O GLU A 49 -11.652 6.124 -1.222 1.00 0.00 O ATOM 761 CB GLU A 49 -12.803 9.001 -0.568 1.00 0.00 C ATOM 762 CG GLU A 49 -11.548 9.336 -1.358 1.00 0.00 C ATOM 763 CD GLU A 49 -11.519 10.778 -1.825 1.00 0.00 C ATOM 764 OE1 GLU A 49 -12.220 11.097 -2.809 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.795 11.589 -1.208 1.00 0.00 O ATOM 0 HA GLU A 49 -13.538 7.659 -2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.522 9.812 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.552 8.946 0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.672 9.141 -0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.481 8.677 -2.223 1.00 0.00 H new ATOM 772 N VAL A 50 -12.947 5.934 0.608 1.00 0.00 N ATOM 773 CA VAL A 50 -12.209 4.798 1.149 1.00 0.00 C ATOM 774 C VAL A 50 -12.126 3.656 0.139 1.00 0.00 C ATOM 775 O VAL A 50 -11.222 2.823 0.203 1.00 0.00 O ATOM 776 CB VAL A 50 -12.855 4.273 2.446 1.00 0.00 C ATOM 777 CG1 VAL A 50 -11.984 3.202 3.084 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.104 5.416 3.419 1.00 0.00 C ATOM 0 H VAL A 50 -13.732 6.238 1.183 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.203 5.156 1.369 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.815 3.824 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.458 2.845 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.862 2.371 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.007 3.622 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.560 5.026 4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.157 5.897 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -13.773 6.145 2.961 1.00 0.00 H new ATOM 788 N LYS A 51 -13.075 3.621 -0.792 1.00 0.00 N ATOM 789 CA LYS A 51 -13.106 2.580 -1.813 1.00 0.00 C ATOM 790 C LYS A 51 -11.976 2.769 -2.822 1.00 0.00 C ATOM 791 O LYS A 51 -11.484 1.803 -3.403 1.00 0.00 O ATOM 792 CB LYS A 51 -14.456 2.585 -2.534 1.00 0.00 C ATOM 793 CG LYS A 51 -15.647 2.570 -1.591 1.00 0.00 C ATOM 794 CD LYS A 51 -16.802 3.394 -2.138 1.00 0.00 C ATOM 795 CE LYS A 51 -17.888 2.510 -2.730 1.00 0.00 C ATOM 796 NZ LYS A 51 -19.100 3.291 -3.101 1.00 0.00 N ATOM 0 H LYS A 51 -13.832 4.301 -0.860 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.968 1.618 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.517 3.469 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.512 1.717 -3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.975 1.542 -1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.348 2.962 -0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.224 4.005 -1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.432 4.078 -2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.500 2.001 -3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.160 1.738 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -19.816 2.652 -3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.485 3.757 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.846 4.011 -3.807 1.00 0.00 H new ATOM 810 N LYS A 52 -11.573 4.019 -3.025 1.00 0.00 N ATOM 811 CA LYS A 52 -10.502 4.333 -3.965 1.00 0.00 C ATOM 812 C LYS A 52 -9.151 3.871 -3.425 1.00 0.00 C ATOM 813 O LYS A 52 -8.450 3.092 -4.067 1.00 0.00 O ATOM 814 CB LYS A 52 -10.472 5.839 -4.244 1.00 0.00 C ATOM 815 CG LYS A 52 -9.260 6.294 -5.042 1.00 0.00 C ATOM 816 CD LYS A 52 -9.228 5.653 -6.420 1.00 0.00 C ATOM 817 CE LYS A 52 -8.117 6.235 -7.279 1.00 0.00 C ATOM 818 NZ LYS A 52 -8.366 6.015 -8.732 1.00 0.00 N ATOM 0 H LYS A 52 -11.971 4.830 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.697 3.802 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.376 6.116 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.492 6.375 -3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.277 7.379 -5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.349 6.039 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.086 4.577 -6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.188 5.802 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.029 7.304 -7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.166 5.780 -7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.586 6.426 -9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.425 4.994 -8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.260 6.471 -9.004 1.00 0.00 H new ATOM 832 N VAL A 53 -8.792 4.361 -2.242 1.00 0.00 N ATOM 833 CA VAL A 53 -7.525 4.000 -1.616 1.00 0.00 C ATOM 834 C VAL A 53 -7.388 2.486 -1.474 1.00 0.00 C ATOM 835 O VAL A 53 -6.279 1.954 -1.461 1.00 0.00 O ATOM 836 CB VAL A 53 -7.380 4.650 -0.227 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.990 4.402 0.338 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.675 6.141 -0.303 1.00 0.00 C ATOM 0 H VAL A 53 -9.361 5.009 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.735 4.372 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.106 4.192 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.908 4.869 1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.821 3.329 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.244 4.830 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.568 6.584 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.975 6.616 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.694 6.293 -0.660 1.00 0.00 H new ATOM 848 N GLU A 54 -8.520 1.799 -1.369 1.00 0.00 N ATOM 849 CA GLU A 54 -8.521 0.346 -1.232 1.00 0.00 C ATOM 850 C GLU A 54 -7.941 -0.312 -2.479 1.00 0.00 C ATOM 851 O GLU A 54 -7.318 -1.371 -2.405 1.00 0.00 O ATOM 852 CB GLU A 54 -9.942 -0.165 -0.984 1.00 0.00 C ATOM 853 CG GLU A 54 -9.990 -1.481 -0.225 1.00 0.00 C ATOM 854 CD GLU A 54 -10.976 -2.465 -0.824 1.00 0.00 C ATOM 855 OE1 GLU A 54 -12.165 -2.420 -0.443 1.00 0.00 O ATOM 856 OE2 GLU A 54 -10.560 -3.277 -1.676 1.00 0.00 O ATOM 0 H GLU A 54 -9.448 2.223 -1.376 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.897 0.084 -0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.498 0.588 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.447 -0.289 -1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.996 -1.928 -0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.261 -1.288 0.813 1.00 0.00 H new ATOM 863 N GLU A 55 -8.149 0.328 -3.626 1.00 0.00 N ATOM 864 CA GLU A 55 -7.648 -0.187 -4.894 1.00 0.00 C ATOM 865 C GLU A 55 -6.165 0.131 -5.063 1.00 0.00 C ATOM 866 O GLU A 55 -5.440 -0.587 -5.749 1.00 0.00 O ATOM 867 CB GLU A 55 -8.446 0.406 -6.058 1.00 0.00 C ATOM 868 CG GLU A 55 -7.989 -0.083 -7.423 1.00 0.00 C ATOM 869 CD GLU A 55 -8.531 -1.458 -7.761 1.00 0.00 C ATOM 870 OE1 GLU A 55 -8.289 -2.401 -6.978 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.198 -1.592 -8.809 1.00 0.00 O ATOM 0 H GLU A 55 -8.662 1.206 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.770 -1.270 -4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.500 0.160 -5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.366 1.493 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.309 0.627 -8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.900 -0.109 -7.449 1.00 0.00 H new ATOM 878 N GLU A 56 -5.724 1.217 -4.436 1.00 0.00 N ATOM 879 CA GLU A 56 -4.330 1.639 -4.514 1.00 0.00 C ATOM 880 C GLU A 56 -3.414 0.667 -3.776 1.00 0.00 C ATOM 881 O GLU A 56 -2.244 0.513 -4.125 1.00 0.00 O ATOM 882 CB GLU A 56 -4.172 3.045 -3.931 1.00 0.00 C ATOM 883 CG GLU A 56 -4.506 4.154 -4.915 1.00 0.00 C ATOM 884 CD GLU A 56 -4.921 5.439 -4.227 1.00 0.00 C ATOM 885 OE1 GLU A 56 -4.234 5.848 -3.269 1.00 0.00 O ATOM 886 OE2 GLU A 56 -5.934 6.038 -4.647 1.00 0.00 O ATOM 0 H GLU A 56 -6.315 1.823 -3.866 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.041 1.648 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.816 3.141 -3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.146 3.173 -3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.639 4.348 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.310 3.822 -5.572 1.00 0.00 H new ATOM 893 N VAL A 57 -3.954 0.012 -2.753 1.00 0.00 N ATOM 894 CA VAL A 57 -3.186 -0.944 -1.963 1.00 0.00 C ATOM 895 C VAL A 57 -3.154 -2.311 -2.635 1.00 0.00 C ATOM 896 O VAL A 57 -2.241 -3.100 -2.413 1.00 0.00 O ATOM 897 CB VAL A 57 -3.766 -1.103 -0.544 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.834 -1.937 0.324 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.019 0.257 0.090 1.00 0.00 C ATOM 0 H VAL A 57 -4.922 0.126 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.173 -0.548 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.720 -1.624 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.260 -2.038 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.710 -2.925 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.863 -1.446 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.428 0.121 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.081 0.809 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.729 0.816 -0.519 1.00 0.00 H new ATOM 909 N LYS A 58 -4.168 -2.583 -3.447 1.00 0.00 N ATOM 910 CA LYS A 58 -4.271 -3.855 -4.151 1.00 0.00 C ATOM 911 C LYS A 58 -3.294 -3.925 -5.324 1.00 0.00 C ATOM 912 O LYS A 58 -2.859 -5.006 -5.714 1.00 0.00 O ATOM 913 CB LYS A 58 -5.701 -4.060 -4.650 1.00 0.00 C ATOM 914 CG LYS A 58 -6.507 -5.036 -3.807 1.00 0.00 C ATOM 915 CD LYS A 58 -7.203 -6.079 -4.668 1.00 0.00 C ATOM 916 CE LYS A 58 -6.506 -7.427 -4.586 1.00 0.00 C ATOM 917 NZ LYS A 58 -7.398 -8.542 -5.008 1.00 0.00 N ATOM 0 H LYS A 58 -4.934 -1.936 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.012 -4.649 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.213 -3.098 -4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.670 -4.421 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.848 -5.533 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.250 -4.489 -3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.239 -6.184 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.223 -5.742 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.617 -7.415 -5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.169 -7.599 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.884 -9.443 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.234 -8.571 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.700 -8.392 -5.992 1.00 0.00 H new ATOM 931 N LYS A 59 -2.969 -2.768 -5.894 1.00 0.00 N ATOM 932 CA LYS A 59 -2.060 -2.705 -7.034 1.00 0.00 C ATOM 933 C LYS A 59 -0.606 -2.894 -6.609 1.00 0.00 C ATOM 934 O LYS A 59 0.164 -3.562 -7.296 1.00 0.00 O ATOM 935 CB LYS A 59 -2.214 -1.368 -7.762 1.00 0.00 C ATOM 936 CG LYS A 59 -1.721 -1.397 -9.201 1.00 0.00 C ATOM 937 CD LYS A 59 -0.225 -1.133 -9.289 1.00 0.00 C ATOM 938 CE LYS A 59 0.444 -2.052 -10.298 1.00 0.00 C ATOM 939 NZ LYS A 59 1.637 -1.417 -10.923 1.00 0.00 N ATOM 0 H LYS A 59 -3.321 -1.862 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.324 -3.520 -7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.265 -1.078 -7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.666 -0.601 -7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.946 -2.368 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.257 -0.649 -9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.054 -0.094 -9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.229 -1.275 -8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.742 -2.977 -9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.272 -2.321 -11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.113 -2.105 -11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.338 -0.595 -11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.295 -1.106 -10.179 1.00 0.00 H new ATOM 953 N LEU A 60 -0.230 -2.293 -5.484 1.00 0.00 N ATOM 954 CA LEU A 60 1.142 -2.397 -4.994 1.00 0.00 C ATOM 955 C LEU A 60 1.408 -3.754 -4.357 1.00 0.00 C ATOM 956 O LEU A 60 2.548 -4.206 -4.304 1.00 0.00 O ATOM 957 CB LEU A 60 1.446 -1.293 -3.986 1.00 0.00 C ATOM 958 CG LEU A 60 2.939 -1.045 -3.763 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.252 0.440 -3.779 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.397 -1.679 -2.458 1.00 0.00 C ATOM 0 H LEU A 60 -0.850 -1.733 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 60 1.798 -2.285 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.982 -0.367 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.985 -1.549 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 60 3.486 -1.512 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.320 0.589 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.968 0.861 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.693 0.938 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.462 -1.492 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.839 -1.246 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.219 -2.754 -2.493 1.00 0.00 H new ATOM 972 N GLU A 61 0.356 -4.401 -3.871 1.00 0.00 N ATOM 973 CA GLU A 61 0.491 -5.704 -3.242 1.00 0.00 C ATOM 974 C GLU A 61 0.856 -6.756 -4.283 1.00 0.00 C ATOM 975 O GLU A 61 1.870 -7.443 -4.163 1.00 0.00 O ATOM 976 CB GLU A 61 -0.811 -6.084 -2.540 1.00 0.00 C ATOM 977 CG GLU A 61 -0.606 -6.696 -1.166 1.00 0.00 C ATOM 978 CD GLU A 61 -1.575 -7.826 -0.880 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.713 -7.538 -0.453 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.197 -8.999 -1.082 1.00 0.00 O ATOM 0 H GLU A 61 -0.599 -4.043 -3.901 1.00 0.00 H new ATOM 0 HA GLU A 61 1.289 -5.656 -2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.434 -5.195 -2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.358 -6.790 -3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.415 -7.069 -1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.722 -5.922 -0.407 1.00 0.00 H new ATOM 987 N GLU A 62 0.025 -6.861 -5.313 1.00 0.00 N ATOM 988 CA GLU A 62 0.254 -7.811 -6.392 1.00 0.00 C ATOM 989 C GLU A 62 1.569 -7.508 -7.104 1.00 0.00 C ATOM 990 O GLU A 62 2.196 -8.397 -7.681 1.00 0.00 O ATOM 991 CB GLU A 62 -0.905 -7.761 -7.388 1.00 0.00 C ATOM 992 CG GLU A 62 -1.274 -9.120 -7.958 1.00 0.00 C ATOM 993 CD GLU A 62 -2.574 -9.092 -8.739 1.00 0.00 C ATOM 994 OE1 GLU A 62 -2.830 -8.084 -9.430 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.336 -10.078 -8.658 1.00 0.00 O ATOM 0 H GLU A 62 -0.817 -6.296 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 62 0.315 -8.812 -5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.778 -7.333 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.641 -7.092 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.471 -9.467 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.359 -9.840 -7.144 1.00 0.00 H new ATOM 1002 N GLU A 63 1.979 -6.244 -7.061 1.00 0.00 N ATOM 1003 CA GLU A 63 3.216 -5.814 -7.700 1.00 0.00 C ATOM 1004 C GLU A 63 4.418 -6.545 -7.111 1.00 0.00 C ATOM 1005 O GLU A 63 5.237 -7.101 -7.840 1.00 0.00 O ATOM 1006 CB GLU A 63 3.388 -4.299 -7.549 1.00 0.00 C ATOM 1007 CG GLU A 63 2.958 -3.513 -8.778 1.00 0.00 C ATOM 1008 CD GLU A 63 4.134 -2.992 -9.578 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.687 -3.763 -10.390 1.00 0.00 O ATOM 1010 OE2 GLU A 63 4.503 -1.813 -9.394 1.00 0.00 O ATOM 0 H GLU A 63 1.470 -5.498 -6.588 1.00 0.00 H new ATOM 0 HA GLU A 63 3.157 -6.060 -8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.809 -3.960 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.434 -4.080 -7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.344 -4.149 -9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.334 -2.675 -8.468 1.00 0.00 H new ATOM 1017 N ILE A 64 4.509 -6.550 -5.787 1.00 0.00 N ATOM 1018 CA ILE A 64 5.601 -7.222 -5.097 1.00 0.00 C ATOM 1019 C ILE A 64 5.496 -8.735 -5.262 1.00 0.00 C ATOM 1020 O ILE A 64 6.484 -9.456 -5.130 1.00 0.00 O ATOM 1021 CB ILE A 64 5.602 -6.892 -3.591 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.407 -5.389 -3.363 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.895 -7.369 -2.946 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.434 -4.987 -1.903 1.00 0.00 C ATOM 0 H ILE A 64 3.837 -6.095 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 64 6.528 -6.864 -5.544 1.00 0.00 H new ATOM 0 HB ILE A 64 4.768 -7.416 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.188 -4.845 -3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.454 -5.085 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.881 -7.129 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.989 -8.447 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.742 -6.873 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.290 -3.910 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.636 -5.502 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.396 -5.259 -1.468 1.00 0.00 H new ATOM 1036 N LYS A 65 4.285 -9.210 -5.545 1.00 0.00 N ATOM 1037 CA LYS A 65 4.040 -10.637 -5.723 1.00 0.00 C ATOM 1038 C LYS A 65 4.963 -11.232 -6.782 1.00 0.00 C ATOM 1039 O LYS A 65 5.450 -12.353 -6.636 1.00 0.00 O ATOM 1040 CB LYS A 65 2.578 -10.879 -6.106 1.00 0.00 C ATOM 1041 CG LYS A 65 1.863 -11.858 -5.191 1.00 0.00 C ATOM 1042 CD LYS A 65 1.767 -11.323 -3.771 1.00 0.00 C ATOM 1043 CE LYS A 65 0.443 -10.616 -3.531 1.00 0.00 C ATOM 1044 NZ LYS A 65 -0.515 -11.471 -2.774 1.00 0.00 N ATOM 0 H LYS A 65 3.457 -8.625 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 65 4.250 -11.133 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.046 -9.928 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.536 -11.254 -7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.862 -12.053 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.395 -12.810 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.875 -12.145 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.589 -10.632 -3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.619 -9.693 -2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.002 -10.336 -4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.966 -10.908 -2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.244 -11.832 -3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.004 -12.270 -2.347 1.00 0.00 H new ATOM 1058 N LYS A 66 5.201 -10.475 -7.847 1.00 0.00 N ATOM 1059 CA LYS A 66 6.065 -10.930 -8.928 1.00 0.00 C ATOM 1060 C LYS A 66 7.494 -10.443 -8.718 1.00 0.00 C ATOM 1061 O LYS A 66 8.407 -11.237 -8.489 1.00 0.00 O ATOM 1062 CB LYS A 66 5.538 -10.436 -10.277 1.00 0.00 C ATOM 1063 CG LYS A 66 4.357 -11.239 -10.798 1.00 0.00 C ATOM 1064 CD LYS A 66 3.985 -10.827 -12.214 1.00 0.00 C ATOM 1065 CE LYS A 66 2.586 -11.294 -12.581 1.00 0.00 C ATOM 1066 NZ LYS A 66 1.535 -10.498 -11.887 1.00 0.00 N ATOM 0 H LYS A 66 4.808 -9.544 -7.984 1.00 0.00 H new ATOM 0 HA LYS A 66 6.065 -12.020 -8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.243 -9.391 -10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.345 -10.474 -11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.601 -12.301 -10.779 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.500 -11.097 -10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.043 -9.742 -12.306 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.705 -11.245 -12.917 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.448 -11.215 -13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.475 -12.347 -12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.610 -10.691 -12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.508 -10.761 -10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.753 -9.485 -11.974 1.00 0.00 H new