USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=4 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+ 164:sc= -4.35! (180deg=-5.49!) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 180:sc= 0 (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= -2.51 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -122:sc= 1.08 (180deg=-0.834) USER MOD Single : A 51 LYS NZ :NH3+ -107:sc= 0 (180deg=-0.299) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -7.113 -1.870 7.338 1.00 0.00 N ATOM 94 CA LEU A 7 -6.477 -1.529 6.070 1.00 0.00 C ATOM 95 C LEU A 7 -5.160 -0.794 6.299 1.00 0.00 C ATOM 96 O LEU A 7 -4.246 -0.868 5.477 1.00 0.00 O ATOM 97 CB LEU A 7 -7.416 -0.666 5.224 1.00 0.00 C ATOM 98 CG LEU A 7 -7.341 -0.913 3.717 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.280 0.027 2.976 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.914 -0.743 3.220 1.00 0.00 C ATOM 0 HA LEU A 7 -6.264 -2.456 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.440 -0.839 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.192 0.383 5.416 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.654 -1.938 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.214 -0.163 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.303 -0.142 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.997 1.060 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.879 -0.922 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.574 0.271 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.264 -1.456 3.728 1.00 0.00 H new ATOM 112 N GLU A 8 -5.070 -0.082 7.418 1.00 0.00 N ATOM 113 CA GLU A 8 -3.865 0.669 7.751 1.00 0.00 C ATOM 114 C GLU A 8 -2.738 -0.265 8.183 1.00 0.00 C ATOM 115 O GLU A 8 -1.566 0.007 7.930 1.00 0.00 O ATOM 116 CB GLU A 8 -4.160 1.678 8.862 1.00 0.00 C ATOM 117 CG GLU A 8 -5.222 2.699 8.489 1.00 0.00 C ATOM 118 CD GLU A 8 -5.775 3.432 9.695 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.209 4.482 10.064 1.00 0.00 O ATOM 120 OE2 GLU A 8 -6.776 2.955 10.271 1.00 0.00 O ATOM 0 H GLU A 8 -5.817 -0.009 8.109 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.544 1.204 6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.482 1.140 9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.239 2.201 9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.797 3.422 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.037 2.196 7.969 1.00 0.00 H new ATOM 127 N GLU A 9 -3.102 -1.364 8.837 1.00 0.00 N ATOM 128 CA GLU A 9 -2.118 -2.335 9.305 1.00 0.00 C ATOM 129 C GLU A 9 -1.613 -3.211 8.158 1.00 0.00 C ATOM 130 O GLU A 9 -0.550 -3.825 8.257 1.00 0.00 O ATOM 131 CB GLU A 9 -2.720 -3.210 10.410 1.00 0.00 C ATOM 132 CG GLU A 9 -3.791 -4.175 9.921 1.00 0.00 C ATOM 133 CD GLU A 9 -3.778 -5.490 10.676 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.313 -5.504 11.836 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.234 -6.505 10.109 1.00 0.00 O ATOM 0 H GLU A 9 -4.069 -1.604 9.055 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.269 -1.783 9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.921 -3.780 10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.149 -2.565 11.177 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.771 -3.709 10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.643 -4.369 8.859 1.00 0.00 H new ATOM 142 N LYS A 10 -2.382 -3.268 7.075 1.00 0.00 N ATOM 143 CA LYS A 10 -2.015 -4.073 5.915 1.00 0.00 C ATOM 144 C LYS A 10 -0.826 -3.468 5.176 1.00 0.00 C ATOM 145 O LYS A 10 0.110 -4.174 4.803 1.00 0.00 O ATOM 146 CB LYS A 10 -3.211 -4.205 4.968 1.00 0.00 C ATOM 147 CG LYS A 10 -3.790 -5.608 4.911 1.00 0.00 C ATOM 148 CD LYS A 10 -5.082 -5.644 4.110 1.00 0.00 C ATOM 149 CE LYS A 10 -4.838 -5.345 2.638 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.716 -4.251 2.141 1.00 0.00 N ATOM 0 H LYS A 10 -3.264 -2.766 6.977 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.725 -5.062 6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.991 -3.512 5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.905 -3.906 3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.063 -6.285 4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.978 -5.967 5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.546 -6.625 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.784 -4.917 4.518 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.794 -5.067 2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.013 -6.246 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.519 -4.078 1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.712 -4.526 2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.531 -3.384 2.684 1.00 0.00 H new ATOM 164 N VAL A 11 -0.873 -2.158 4.961 1.00 0.00 N ATOM 165 CA VAL A 11 0.198 -1.458 4.259 1.00 0.00 C ATOM 166 C VAL A 11 1.418 -1.269 5.150 1.00 0.00 C ATOM 167 O VAL A 11 2.546 -1.216 4.666 1.00 0.00 O ATOM 168 CB VAL A 11 -0.267 -0.086 3.738 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.798 0.542 2.852 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.586 -0.217 2.991 1.00 0.00 C ATOM 0 H VAL A 11 -1.641 -1.559 5.263 1.00 0.00 H new ATOM 0 HA VAL A 11 0.472 -2.083 3.409 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.424 0.571 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.449 1.511 2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.716 0.676 3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.994 -0.110 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.899 0.763 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.459 -0.892 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.346 -0.616 3.662 1.00 0.00 H new ATOM 180 N LYS A 12 1.185 -1.168 6.450 1.00 0.00 N ATOM 181 CA LYS A 12 2.268 -0.989 7.412 1.00 0.00 C ATOM 182 C LYS A 12 3.199 -2.194 7.385 1.00 0.00 C ATOM 183 O LYS A 12 4.415 -2.058 7.516 1.00 0.00 O ATOM 184 CB LYS A 12 1.704 -0.789 8.821 1.00 0.00 C ATOM 185 CG LYS A 12 2.412 0.303 9.610 1.00 0.00 C ATOM 186 CD LYS A 12 3.062 -0.248 10.870 1.00 0.00 C ATOM 187 CE LYS A 12 4.519 -0.611 10.631 1.00 0.00 C ATOM 188 NZ LYS A 12 5.014 -1.600 11.628 1.00 0.00 N ATOM 0 H LYS A 12 0.255 -1.207 6.866 1.00 0.00 H new ATOM 0 HA LYS A 12 2.835 -0.100 7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.644 -0.544 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.777 -1.728 9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.171 0.771 8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.697 1.080 9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.996 0.491 11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.517 -1.130 11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.632 -1.020 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.130 0.290 10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.011 -1.822 11.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.930 -1.200 12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.447 -2.470 11.565 1.00 0.00 H new ATOM 202 N ALA A 13 2.617 -3.371 7.182 1.00 0.00 N ATOM 203 CA ALA A 13 3.394 -4.603 7.101 1.00 0.00 C ATOM 204 C ALA A 13 3.979 -4.743 5.702 1.00 0.00 C ATOM 205 O ALA A 13 4.991 -5.410 5.492 1.00 0.00 O ATOM 206 CB ALA A 13 2.526 -5.805 7.443 1.00 0.00 C ATOM 0 H ALA A 13 1.611 -3.498 7.071 1.00 0.00 H new ATOM 0 HA ALA A 13 4.208 -4.561 7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.122 -6.715 7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.138 -5.697 8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.694 -5.865 6.741 1.00 0.00 H new ATOM 212 N LEU A 14 3.319 -4.088 4.754 1.00 0.00 N ATOM 213 CA LEU A 14 3.729 -4.090 3.362 1.00 0.00 C ATOM 214 C LEU A 14 5.070 -3.377 3.187 1.00 0.00 C ATOM 215 O LEU A 14 5.805 -3.637 2.235 1.00 0.00 O ATOM 216 CB LEU A 14 2.647 -3.400 2.527 1.00 0.00 C ATOM 217 CG LEU A 14 2.562 -3.837 1.064 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.117 -4.116 0.681 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.159 -2.778 0.150 1.00 0.00 C ATOM 0 H LEU A 14 2.479 -3.538 4.935 1.00 0.00 H new ATOM 0 HA LEU A 14 3.855 -5.119 3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.680 -3.579 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.821 -2.324 2.557 1.00 0.00 H new ATOM 0 HG LEU A 14 3.139 -4.754 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.071 -4.426 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.720 -4.910 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.523 -3.212 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.088 -3.110 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.612 -1.843 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.206 -2.621 0.410 1.00 0.00 H new ATOM 231 N GLU A 15 5.374 -2.470 4.112 1.00 0.00 N ATOM 232 CA GLU A 15 6.614 -1.705 4.071 1.00 0.00 C ATOM 233 C GLU A 15 7.805 -2.552 4.513 1.00 0.00 C ATOM 234 O GLU A 15 8.786 -2.689 3.782 1.00 0.00 O ATOM 235 CB GLU A 15 6.485 -0.461 4.958 1.00 0.00 C ATOM 236 CG GLU A 15 7.802 0.255 5.221 1.00 0.00 C ATOM 237 CD GLU A 15 7.646 1.436 6.160 1.00 0.00 C ATOM 238 OE1 GLU A 15 7.691 1.225 7.391 1.00 0.00 O ATOM 239 OE2 GLU A 15 7.479 2.570 5.665 1.00 0.00 O ATOM 0 H GLU A 15 4.772 -2.247 4.905 1.00 0.00 H new ATOM 0 HA GLU A 15 6.792 -1.397 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.792 0.237 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.046 -0.752 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.516 -0.450 5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.219 0.600 4.275 1.00 0.00 H new ATOM 246 N GLU A 16 7.718 -3.114 5.716 1.00 0.00 N ATOM 247 CA GLU A 16 8.793 -3.942 6.256 1.00 0.00 C ATOM 248 C GLU A 16 9.282 -4.960 5.227 1.00 0.00 C ATOM 249 O GLU A 16 10.447 -5.356 5.237 1.00 0.00 O ATOM 250 CB GLU A 16 8.323 -4.663 7.521 1.00 0.00 C ATOM 251 CG GLU A 16 6.978 -5.353 7.366 1.00 0.00 C ATOM 252 CD GLU A 16 6.595 -6.162 8.589 1.00 0.00 C ATOM 253 OE1 GLU A 16 6.039 -5.574 9.540 1.00 0.00 O ATOM 254 OE2 GLU A 16 6.851 -7.384 8.596 1.00 0.00 O ATOM 0 H GLU A 16 6.914 -3.011 6.335 1.00 0.00 H new ATOM 0 HA GLU A 16 9.626 -3.285 6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.071 -5.403 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.260 -3.943 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.209 -4.604 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.008 -6.009 6.496 1.00 0.00 H new ATOM 261 N LYS A 17 8.384 -5.377 4.342 1.00 0.00 N ATOM 262 CA LYS A 17 8.724 -6.347 3.306 1.00 0.00 C ATOM 263 C LYS A 17 9.531 -5.693 2.188 1.00 0.00 C ATOM 264 O LYS A 17 10.470 -6.285 1.658 1.00 0.00 O ATOM 265 CB LYS A 17 7.454 -6.977 2.732 1.00 0.00 C ATOM 266 CG LYS A 17 7.726 -8.045 1.686 1.00 0.00 C ATOM 267 CD LYS A 17 7.802 -9.429 2.308 1.00 0.00 C ATOM 268 CE LYS A 17 8.723 -10.345 1.517 1.00 0.00 C ATOM 269 NZ LYS A 17 8.213 -11.744 1.475 1.00 0.00 N ATOM 0 H LYS A 17 7.415 -5.059 4.320 1.00 0.00 H new ATOM 0 HA LYS A 17 9.335 -7.126 3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.876 -7.415 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.838 -6.194 2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.938 -8.027 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.662 -7.824 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.160 -9.349 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.804 -9.865 2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.827 -9.966 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.717 -10.334 1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.869 -12.336 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.138 -12.115 2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.275 -11.758 1.025 1.00 0.00 H new ATOM 283 N VAL A 18 9.154 -4.469 1.833 1.00 0.00 N ATOM 284 CA VAL A 18 9.838 -3.733 0.776 1.00 0.00 C ATOM 285 C VAL A 18 11.150 -3.139 1.274 1.00 0.00 C ATOM 286 O VAL A 18 12.199 -3.320 0.655 1.00 0.00 O ATOM 287 CB VAL A 18 8.962 -2.598 0.230 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.616 -1.948 -0.979 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.572 -3.110 -0.118 1.00 0.00 C ATOM 0 H VAL A 18 8.378 -3.965 2.262 1.00 0.00 H new ATOM 0 HA VAL A 18 10.043 -4.448 -0.020 1.00 0.00 H new ATOM 0 HB VAL A 18 8.860 -1.842 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.978 -1.146 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.585 -1.538 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.755 -2.693 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.968 -2.289 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.651 -3.889 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.101 -3.519 0.776 1.00 0.00 H new ATOM 299 N LYS A 19 11.083 -2.419 2.390 1.00 0.00 N ATOM 300 CA LYS A 19 12.264 -1.786 2.967 1.00 0.00 C ATOM 301 C LYS A 19 13.409 -2.783 3.126 1.00 0.00 C ATOM 302 O LYS A 19 14.581 -2.411 3.060 1.00 0.00 O ATOM 303 CB LYS A 19 11.924 -1.164 4.321 1.00 0.00 C ATOM 304 CG LYS A 19 11.182 0.158 4.212 1.00 0.00 C ATOM 305 CD LYS A 19 11.946 1.288 4.885 1.00 0.00 C ATOM 306 CE LYS A 19 11.023 2.433 5.274 1.00 0.00 C ATOM 307 NZ LYS A 19 11.519 3.742 4.766 1.00 0.00 N ATOM 0 H LYS A 19 10.222 -2.259 2.913 1.00 0.00 H new ATOM 0 HA LYS A 19 12.589 -1.003 2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.317 -1.866 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.845 -1.009 4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.023 0.401 3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.197 0.062 4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.450 0.908 5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.720 1.656 4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.025 2.245 4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.934 2.475 6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.863 4.497 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.461 3.934 5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.580 3.711 3.728 1.00 0.00 H new ATOM 321 N ALA A 20 13.065 -4.049 3.335 1.00 0.00 N ATOM 322 CA ALA A 20 14.067 -5.097 3.502 1.00 0.00 C ATOM 323 C ALA A 20 14.407 -5.758 2.168 1.00 0.00 C ATOM 324 O ALA A 20 15.376 -6.511 2.069 1.00 0.00 O ATOM 325 CB ALA A 20 13.579 -6.136 4.499 1.00 0.00 C ATOM 0 H ALA A 20 12.100 -4.375 3.393 1.00 0.00 H new ATOM 0 HA ALA A 20 14.976 -4.636 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.335 -6.912 4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.398 -5.659 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.653 -6.582 4.136 1.00 0.00 H new ATOM 331 N LEU A 21 13.605 -5.476 1.147 1.00 0.00 N ATOM 332 CA LEU A 21 13.817 -6.042 -0.177 1.00 0.00 C ATOM 333 C LEU A 21 15.085 -5.481 -0.813 1.00 0.00 C ATOM 334 O LEU A 21 16.077 -6.192 -0.978 1.00 0.00 O ATOM 335 CB LEU A 21 12.609 -5.747 -1.067 1.00 0.00 C ATOM 336 CG LEU A 21 12.124 -6.921 -1.918 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.861 -6.542 -2.674 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.214 -7.367 -2.881 1.00 0.00 C ATOM 0 H LEU A 21 12.798 -4.855 1.214 1.00 0.00 H new ATOM 0 HA LEU A 21 13.936 -7.121 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.786 -5.413 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.860 -4.918 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 21 11.890 -7.755 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.529 -7.389 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.079 -6.272 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.068 -5.693 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.852 -8.203 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.480 -6.539 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.093 -7.678 -2.317 1.00 0.00 H new ATOM 371 N GLY A 25 14.441 -0.839 -9.912 1.00 0.00 N ATOM 372 CA GLY A 25 13.600 -1.636 -10.786 1.00 0.00 C ATOM 373 C GLY A 25 12.158 -1.685 -10.318 1.00 0.00 C ATOM 374 O GLY A 25 11.594 -0.666 -9.918 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.637 -1.225 -11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.996 -2.650 -10.840 1.00 0.00 H new ATOM 378 N ARG A 26 11.561 -2.872 -10.366 1.00 0.00 N ATOM 379 CA ARG A 26 10.176 -3.051 -9.945 1.00 0.00 C ATOM 380 C ARG A 26 9.978 -2.590 -8.503 1.00 0.00 C ATOM 381 O ARG A 26 8.882 -2.183 -8.115 1.00 0.00 O ATOM 382 CB ARG A 26 9.756 -4.519 -10.091 1.00 0.00 C ATOM 383 CG ARG A 26 10.317 -5.434 -9.011 1.00 0.00 C ATOM 384 CD ARG A 26 11.828 -5.552 -9.112 1.00 0.00 C ATOM 385 NE ARG A 26 12.334 -6.742 -8.432 1.00 0.00 N ATOM 386 CZ ARG A 26 13.603 -6.903 -8.067 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.498 -5.954 -8.314 1.00 0.00 N ATOM 388 NH2 ARG A 26 13.980 -8.016 -7.453 1.00 0.00 N ATOM 0 H ARG A 26 12.015 -3.725 -10.693 1.00 0.00 H new ATOM 0 HA ARG A 26 9.547 -2.438 -10.591 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.668 -4.578 -10.074 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.080 -4.884 -11.066 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.046 -5.048 -8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.867 -6.423 -9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.119 -5.584 -10.162 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.290 -4.664 -8.680 1.00 0.00 H new ATOM 0 HE ARG A 26 11.676 -7.493 -8.225 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.214 -5.096 -8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.470 -6.083 -8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.297 -8.749 -7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.953 -8.140 -7.173 1.00 0.00 H new ATOM 402 N ILE A 27 11.044 -2.663 -7.711 1.00 0.00 N ATOM 403 CA ILE A 27 10.986 -2.259 -6.315 1.00 0.00 C ATOM 404 C ILE A 27 10.840 -0.747 -6.182 1.00 0.00 C ATOM 405 O ILE A 27 10.261 -0.253 -5.217 1.00 0.00 O ATOM 406 CB ILE A 27 12.239 -2.715 -5.540 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.453 -4.219 -5.714 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.113 -2.360 -4.066 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.885 -4.657 -5.490 1.00 0.00 C ATOM 0 H ILE A 27 11.958 -2.999 -8.015 1.00 0.00 H new ATOM 0 HA ILE A 27 10.109 -2.744 -5.886 1.00 0.00 H new ATOM 0 HB ILE A 27 13.106 -2.193 -5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.806 -4.753 -5.018 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.147 -4.507 -6.720 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.006 -2.689 -3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.005 -1.281 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.238 -2.855 -3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.962 -5.735 -5.630 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.536 -4.151 -6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.189 -4.400 -4.475 1.00 0.00 H new ATOM 421 N GLU A 28 11.377 -0.016 -7.155 1.00 0.00 N ATOM 422 CA GLU A 28 11.311 1.441 -7.143 1.00 0.00 C ATOM 423 C GLU A 28 9.866 1.931 -7.194 1.00 0.00 C ATOM 424 O GLU A 28 9.428 2.684 -6.327 1.00 0.00 O ATOM 425 CB GLU A 28 12.096 2.017 -8.323 1.00 0.00 C ATOM 426 CG GLU A 28 12.363 3.509 -8.206 1.00 0.00 C ATOM 427 CD GLU A 28 11.933 4.278 -9.440 1.00 0.00 C ATOM 428 OE1 GLU A 28 10.714 4.490 -9.613 1.00 0.00 O ATOM 429 OE2 GLU A 28 12.815 4.667 -10.234 1.00 0.00 O ATOM 0 H GLU A 28 11.862 -0.409 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 28 11.756 1.787 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.047 1.492 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.544 1.826 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.836 3.901 -7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.427 3.671 -8.034 1.00 0.00 H new ATOM 436 N GLU A 29 9.131 1.501 -8.217 1.00 0.00 N ATOM 437 CA GLU A 29 7.735 1.902 -8.380 1.00 0.00 C ATOM 438 C GLU A 29 6.905 1.507 -7.161 1.00 0.00 C ATOM 439 O GLU A 29 5.953 2.194 -6.794 1.00 0.00 O ATOM 440 CB GLU A 29 7.144 1.265 -9.640 1.00 0.00 C ATOM 441 CG GLU A 29 5.678 1.600 -9.865 1.00 0.00 C ATOM 442 CD GLU A 29 5.418 2.188 -11.237 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.836 3.340 -11.479 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.795 1.498 -12.072 1.00 0.00 O ATOM 0 H GLU A 29 9.478 0.876 -8.945 1.00 0.00 H new ATOM 0 HA GLU A 29 7.706 2.987 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.719 1.593 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.254 0.183 -9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.080 0.697 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.350 2.307 -9.103 1.00 0.00 H new ATOM 451 N LEU A 30 7.274 0.392 -6.542 1.00 0.00 N ATOM 452 CA LEU A 30 6.569 -0.106 -5.367 1.00 0.00 C ATOM 453 C LEU A 30 6.828 0.769 -4.143 1.00 0.00 C ATOM 454 O LEU A 30 6.062 0.742 -3.182 1.00 0.00 O ATOM 455 CB LEU A 30 7.001 -1.544 -5.067 1.00 0.00 C ATOM 456 CG LEU A 30 6.451 -2.606 -6.023 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.429 -3.764 -6.162 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.097 -3.104 -5.542 1.00 0.00 C ATOM 0 H LEU A 30 8.061 -0.187 -6.836 1.00 0.00 H new ATOM 0 HA LEU A 30 5.502 -0.078 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.090 -1.590 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.690 -1.795 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 30 6.322 -2.150 -7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.018 -4.507 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.377 -3.395 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.593 -4.221 -5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.720 -3.858 -6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.202 -3.541 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.397 -2.270 -5.499 1.00 0.00 H new ATOM 470 N LYS A 31 7.926 1.519 -4.173 1.00 0.00 N ATOM 471 CA LYS A 31 8.307 2.377 -3.053 1.00 0.00 C ATOM 472 C LYS A 31 7.510 3.681 -3.006 1.00 0.00 C ATOM 473 O LYS A 31 6.856 3.974 -2.012 1.00 0.00 O ATOM 474 CB LYS A 31 9.800 2.694 -3.129 1.00 0.00 C ATOM 475 CG LYS A 31 10.322 3.457 -1.923 1.00 0.00 C ATOM 476 CD LYS A 31 11.594 2.829 -1.377 1.00 0.00 C ATOM 477 CE LYS A 31 12.282 3.740 -0.373 1.00 0.00 C ATOM 478 NZ LYS A 31 12.854 2.975 0.770 1.00 0.00 N ATOM 0 H LYS A 31 8.570 1.550 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 31 8.080 1.827 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.356 1.762 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.994 3.277 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.517 4.493 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.560 3.475 -1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.356 1.877 -0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.276 2.613 -2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.076 4.296 -0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.567 4.473 0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.314 3.632 1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.093 2.465 1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.555 2.293 0.415 1.00 0.00 H new ATOM 492 N LYS A 32 7.593 4.470 -4.072 1.00 0.00 N ATOM 493 CA LYS A 32 6.904 5.758 -4.135 1.00 0.00 C ATOM 494 C LYS A 32 5.425 5.636 -3.778 1.00 0.00 C ATOM 495 O LYS A 32 4.946 6.280 -2.847 1.00 0.00 O ATOM 496 CB LYS A 32 7.053 6.364 -5.534 1.00 0.00 C ATOM 497 CG LYS A 32 7.606 7.780 -5.527 1.00 0.00 C ATOM 498 CD LYS A 32 6.700 8.739 -6.283 1.00 0.00 C ATOM 499 CE LYS A 32 7.425 10.026 -6.641 1.00 0.00 C ATOM 500 NZ LYS A 32 6.548 10.970 -7.387 1.00 0.00 N ATOM 0 H LYS A 32 8.132 4.241 -4.907 1.00 0.00 H new ATOM 0 HA LYS A 32 7.368 6.413 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.710 5.729 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.080 6.365 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.720 8.121 -4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.599 7.786 -5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.339 8.259 -7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.825 8.970 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.783 10.506 -5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.302 9.792 -7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.081 11.835 -7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.227 10.522 -8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.723 11.214 -6.802 1.00 0.00 H new ATOM 514 N LYS A 33 4.709 4.821 -4.536 1.00 0.00 N ATOM 515 CA LYS A 33 3.278 4.623 -4.317 1.00 0.00 C ATOM 516 C LYS A 33 2.987 4.044 -2.933 1.00 0.00 C ATOM 517 O LYS A 33 1.889 4.209 -2.405 1.00 0.00 O ATOM 518 CB LYS A 33 2.698 3.710 -5.398 1.00 0.00 C ATOM 519 CG LYS A 33 1.178 3.693 -5.425 1.00 0.00 C ATOM 520 CD LYS A 33 0.649 2.916 -6.619 1.00 0.00 C ATOM 521 CE LYS A 33 0.483 1.441 -6.294 1.00 0.00 C ATOM 522 NZ LYS A 33 1.586 0.618 -6.863 1.00 0.00 N ATOM 0 H LYS A 33 5.094 4.282 -5.312 1.00 0.00 H new ATOM 0 HA LYS A 33 2.801 5.601 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.067 4.032 -6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.062 2.695 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.802 3.247 -4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.803 4.716 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.310 3.332 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.333 3.030 -7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.453 1.309 -5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.471 1.089 -6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.593 -0.316 -6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.440 0.502 -7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.496 1.093 -6.695 1.00 0.00 H new ATOM 536 N CYS A 34 3.962 3.346 -2.362 1.00 0.00 N ATOM 537 CA CYS A 34 3.796 2.721 -1.050 1.00 0.00 C ATOM 538 C CYS A 34 3.513 3.741 0.054 1.00 0.00 C ATOM 539 O CYS A 34 2.505 3.645 0.754 1.00 0.00 O ATOM 540 CB CYS A 34 5.058 1.935 -0.692 1.00 0.00 C ATOM 541 SG CYS A 34 4.758 0.184 -0.296 1.00 0.00 S ATOM 0 H CYS A 34 4.878 3.197 -2.786 1.00 0.00 H new ATOM 0 HA CYS A 34 2.934 2.057 -1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.757 1.993 -1.526 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.540 2.412 0.162 1.00 0.00 H new ATOM 0 HG CYS A 34 5.886 -0.395 -0.009 1.00 0.00 H new ATOM 546 N GLU A 35 4.420 4.698 0.221 1.00 0.00 N ATOM 547 CA GLU A 35 4.280 5.712 1.263 1.00 0.00 C ATOM 548 C GLU A 35 3.090 6.629 1.011 1.00 0.00 C ATOM 549 O GLU A 35 2.222 6.772 1.867 1.00 0.00 O ATOM 550 CB GLU A 35 5.563 6.537 1.384 1.00 0.00 C ATOM 551 CG GLU A 35 6.105 7.008 0.049 1.00 0.00 C ATOM 552 CD GLU A 35 6.461 8.483 0.047 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.616 8.815 0.386 1.00 0.00 O ATOM 554 OE2 GLU A 35 5.584 9.305 -0.291 1.00 0.00 O ATOM 0 H GLU A 35 5.259 4.794 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 35 4.100 5.188 2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.370 7.404 2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.324 5.940 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.990 6.425 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.364 6.817 -0.727 1.00 0.00 H new ATOM 561 N GLU A 36 3.050 7.254 -0.161 1.00 0.00 N ATOM 562 CA GLU A 36 1.961 8.161 -0.506 1.00 0.00 C ATOM 563 C GLU A 36 0.599 7.533 -0.214 1.00 0.00 C ATOM 564 O GLU A 36 -0.377 8.233 0.054 1.00 0.00 O ATOM 565 CB GLU A 36 2.047 8.555 -1.982 1.00 0.00 C ATOM 566 CG GLU A 36 1.050 9.631 -2.383 1.00 0.00 C ATOM 567 CD GLU A 36 1.344 10.218 -3.750 1.00 0.00 C ATOM 568 OE1 GLU A 36 2.509 10.596 -3.995 1.00 0.00 O ATOM 569 OE2 GLU A 36 0.410 10.300 -4.575 1.00 0.00 O ATOM 0 H GLU A 36 3.758 7.149 -0.887 1.00 0.00 H new ATOM 0 HA GLU A 36 2.063 9.053 0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.056 8.907 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.881 7.670 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.045 9.209 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.062 10.428 -1.639 1.00 0.00 H new ATOM 576 N LEU A 37 0.547 6.209 -0.286 1.00 0.00 N ATOM 577 CA LEU A 37 -0.686 5.469 -0.050 1.00 0.00 C ATOM 578 C LEU A 37 -1.100 5.509 1.423 1.00 0.00 C ATOM 579 O LEU A 37 -2.279 5.670 1.737 1.00 0.00 O ATOM 580 CB LEU A 37 -0.507 4.018 -0.511 1.00 0.00 C ATOM 581 CG LEU A 37 -1.584 3.033 -0.047 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.974 3.580 -0.338 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.390 1.683 -0.720 1.00 0.00 C ATOM 0 H LEU A 37 1.351 5.622 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.482 5.943 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.474 4.004 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.461 3.661 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.489 2.901 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.724 2.865 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.111 4.525 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.084 3.743 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.163 0.993 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.459 1.802 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.409 1.285 -0.461 1.00 0.00 H new ATOM 595 N LYS A 38 -0.132 5.344 2.319 1.00 0.00 N ATOM 596 CA LYS A 38 -0.411 5.345 3.755 1.00 0.00 C ATOM 597 C LYS A 38 -0.957 6.694 4.225 1.00 0.00 C ATOM 598 O LYS A 38 -2.053 6.770 4.780 1.00 0.00 O ATOM 599 CB LYS A 38 0.856 4.991 4.537 1.00 0.00 C ATOM 600 CG LYS A 38 0.695 3.775 5.436 1.00 0.00 C ATOM 601 CD LYS A 38 0.861 4.136 6.904 1.00 0.00 C ATOM 602 CE LYS A 38 2.295 3.937 7.368 1.00 0.00 C ATOM 603 NZ LYS A 38 2.415 4.010 8.850 1.00 0.00 N ATOM 0 H LYS A 38 0.850 5.208 2.079 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.177 4.593 3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.668 4.808 3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.149 5.847 5.146 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.289 3.334 5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.431 3.019 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.568 5.174 7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.193 3.522 7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.657 2.969 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.932 4.697 6.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.408 3.869 9.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.093 4.943 9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.828 3.269 9.283 1.00 0.00 H new ATOM 617 N LYS A 39 -0.183 7.753 4.009 1.00 0.00 N ATOM 618 CA LYS A 39 -0.579 9.097 4.416 1.00 0.00 C ATOM 619 C LYS A 39 -1.978 9.444 3.915 1.00 0.00 C ATOM 620 O LYS A 39 -2.685 10.247 4.525 1.00 0.00 O ATOM 621 CB LYS A 39 0.432 10.124 3.899 1.00 0.00 C ATOM 622 CG LYS A 39 0.409 10.302 2.389 1.00 0.00 C ATOM 623 CD LYS A 39 1.556 11.181 1.914 1.00 0.00 C ATOM 624 CE LYS A 39 1.061 12.314 1.029 1.00 0.00 C ATOM 625 NZ LYS A 39 1.809 13.578 1.277 1.00 0.00 N ATOM 0 H LYS A 39 0.727 7.705 3.552 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.596 9.123 5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.233 11.086 4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.433 9.820 4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.472 9.327 1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.540 10.746 2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.080 11.594 2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.276 10.575 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.166 12.029 -0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.001 12.479 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.442 14.326 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.689 13.863 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.819 13.428 1.080 1.00 0.00 H new ATOM 639 N LYS A 40 -2.374 8.838 2.800 1.00 0.00 N ATOM 640 CA LYS A 40 -3.689 9.092 2.224 1.00 0.00 C ATOM 641 C LYS A 40 -4.792 8.483 3.084 1.00 0.00 C ATOM 642 O LYS A 40 -5.919 8.977 3.103 1.00 0.00 O ATOM 643 CB LYS A 40 -3.766 8.532 0.803 1.00 0.00 C ATOM 644 CG LYS A 40 -4.958 9.044 0.013 1.00 0.00 C ATOM 645 CD LYS A 40 -4.665 9.083 -1.479 1.00 0.00 C ATOM 646 CE LYS A 40 -4.463 7.686 -2.045 1.00 0.00 C ATOM 647 NZ LYS A 40 -5.147 7.514 -3.356 1.00 0.00 N ATOM 0 H LYS A 40 -1.805 8.170 2.279 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.837 10.171 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.850 8.788 0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.813 7.444 0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.820 8.404 0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.223 10.043 0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.488 9.572 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.773 9.682 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.397 7.493 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.843 6.949 -1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.823 6.726 -3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.656 8.388 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.441 7.308 -4.091 1.00 0.00 H new ATOM 661 N ILE A 41 -4.463 7.410 3.797 1.00 0.00 N ATOM 662 CA ILE A 41 -5.433 6.746 4.661 1.00 0.00 C ATOM 663 C ILE A 41 -5.667 7.557 5.929 1.00 0.00 C ATOM 664 O ILE A 41 -6.771 7.572 6.475 1.00 0.00 O ATOM 665 CB ILE A 41 -4.973 5.326 5.047 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.416 4.594 3.822 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.126 4.547 5.662 1.00 0.00 C ATOM 668 CD1 ILE A 41 -4.063 3.145 4.086 1.00 0.00 C ATOM 0 H ILE A 41 -3.536 6.983 3.794 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.363 6.670 4.098 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.178 5.405 5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.151 4.639 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.527 5.117 3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.787 3.546 5.930 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.478 5.062 6.556 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.941 4.473 4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.675 2.693 3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.305 3.092 4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.954 2.606 4.408 1.00 0.00 H new ATOM 680 N GLU A 42 -4.622 8.239 6.388 1.00 0.00 N ATOM 681 CA GLU A 42 -4.714 9.061 7.587 1.00 0.00 C ATOM 682 C GLU A 42 -5.615 10.266 7.336 1.00 0.00 C ATOM 683 O GLU A 42 -6.321 10.725 8.233 1.00 0.00 O ATOM 684 CB GLU A 42 -3.324 9.526 8.024 1.00 0.00 C ATOM 685 CG GLU A 42 -2.426 8.395 8.500 1.00 0.00 C ATOM 686 CD GLU A 42 -1.076 8.885 8.986 1.00 0.00 C ATOM 687 OE1 GLU A 42 -0.976 9.277 10.168 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.118 8.878 8.184 1.00 0.00 O ATOM 0 H GLU A 42 -3.702 8.238 5.947 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.148 8.459 8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.841 10.035 7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.430 10.257 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.924 7.856 9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.279 7.686 7.685 1.00 0.00 H new ATOM 695 N GLU A 43 -5.589 10.766 6.104 1.00 0.00 N ATOM 696 CA GLU A 43 -6.408 11.912 5.727 1.00 0.00 C ATOM 697 C GLU A 43 -7.871 11.500 5.590 1.00 0.00 C ATOM 698 O GLU A 43 -8.779 12.300 5.816 1.00 0.00 O ATOM 699 CB GLU A 43 -5.899 12.522 4.414 1.00 0.00 C ATOM 700 CG GLU A 43 -6.195 11.689 3.175 1.00 0.00 C ATOM 701 CD GLU A 43 -6.559 12.543 1.975 1.00 0.00 C ATOM 702 OE1 GLU A 43 -5.932 13.608 1.794 1.00 0.00 O ATOM 703 OE2 GLU A 43 -7.468 12.146 1.217 1.00 0.00 O ATOM 0 H GLU A 43 -5.010 10.395 5.351 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.333 12.665 6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.346 13.508 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.821 12.668 4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.323 11.081 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.014 11.002 3.390 1.00 0.00 H new ATOM 710 N LEU A 44 -8.084 10.243 5.217 1.00 0.00 N ATOM 711 CA LEU A 44 -9.427 9.706 5.044 1.00 0.00 C ATOM 712 C LEU A 44 -10.201 9.735 6.358 1.00 0.00 C ATOM 713 O LEU A 44 -9.614 9.868 7.433 1.00 0.00 O ATOM 714 CB LEU A 44 -9.350 8.272 4.512 1.00 0.00 C ATOM 715 CG LEU A 44 -9.436 8.143 2.990 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.170 6.708 2.561 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.795 8.608 2.493 1.00 0.00 C ATOM 0 H LEU A 44 -7.338 9.574 5.028 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.956 10.330 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.414 7.826 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.158 7.691 4.957 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.672 8.780 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.235 6.635 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.173 6.410 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.911 6.049 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.839 8.509 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.576 7.997 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.946 9.652 2.769 1.00 0.00 H new ATOM 757 N GLU A 49 -14.577 7.779 -0.371 1.00 0.00 N ATOM 758 CA GLU A 49 -13.260 7.877 -0.989 1.00 0.00 C ATOM 759 C GLU A 49 -12.395 6.673 -0.627 1.00 0.00 C ATOM 760 O GLU A 49 -11.484 6.306 -1.369 1.00 0.00 O ATOM 761 CB GLU A 49 -12.564 9.169 -0.554 1.00 0.00 C ATOM 762 CG GLU A 49 -11.240 9.413 -1.259 1.00 0.00 C ATOM 763 CD GLU A 49 -10.170 9.941 -0.325 1.00 0.00 C ATOM 764 OE1 GLU A 49 -10.356 11.047 0.226 1.00 0.00 O ATOM 765 OE2 GLU A 49 -9.146 9.250 -0.144 1.00 0.00 O ATOM 0 HA GLU A 49 -13.395 7.891 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.228 10.012 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.393 9.135 0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.896 8.482 -1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.391 10.124 -2.071 1.00 0.00 H new ATOM 772 N VAL A 50 -12.684 6.062 0.518 1.00 0.00 N ATOM 773 CA VAL A 50 -11.932 4.900 0.977 1.00 0.00 C ATOM 774 C VAL A 50 -12.004 3.754 -0.028 1.00 0.00 C ATOM 775 O VAL A 50 -11.172 2.847 -0.006 1.00 0.00 O ATOM 776 CB VAL A 50 -12.445 4.403 2.343 1.00 0.00 C ATOM 777 CG1 VAL A 50 -11.530 3.320 2.896 1.00 0.00 C ATOM 778 CG2 VAL A 50 -12.567 5.562 3.322 1.00 0.00 C ATOM 0 H VAL A 50 -13.434 6.353 1.145 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.895 5.220 1.078 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.436 3.971 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.908 2.982 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.501 2.479 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.525 3.722 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.931 5.192 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.591 6.027 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -13.267 6.299 2.928 1.00 0.00 H new ATOM 788 N LYS A 51 -13.001 3.795 -0.907 1.00 0.00 N ATOM 789 CA LYS A 51 -13.175 2.755 -1.914 1.00 0.00 C ATOM 790 C LYS A 51 -12.082 2.833 -2.976 1.00 0.00 C ATOM 791 O LYS A 51 -11.634 1.812 -3.498 1.00 0.00 O ATOM 792 CB LYS A 51 -14.549 2.878 -2.574 1.00 0.00 C ATOM 793 CG LYS A 51 -14.965 1.637 -3.346 1.00 0.00 C ATOM 794 CD LYS A 51 -16.291 1.845 -4.063 1.00 0.00 C ATOM 795 CE LYS A 51 -16.111 2.630 -5.352 1.00 0.00 C ATOM 796 NZ LYS A 51 -16.491 4.060 -5.191 1.00 0.00 N ATOM 0 H LYS A 51 -13.700 4.537 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.103 1.789 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.295 3.085 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.543 3.732 -3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.193 1.383 -4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.049 0.793 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.741 0.877 -4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.981 2.375 -3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.072 2.565 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.717 2.180 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.394 4.236 -5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.593 4.280 -4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.752 4.664 -5.604 1.00 0.00 H new ATOM 810 N LYS A 52 -11.658 4.053 -3.294 1.00 0.00 N ATOM 811 CA LYS A 52 -10.618 4.266 -4.297 1.00 0.00 C ATOM 812 C LYS A 52 -9.248 3.869 -3.755 1.00 0.00 C ATOM 813 O LYS A 52 -8.563 3.024 -4.330 1.00 0.00 O ATOM 814 CB LYS A 52 -10.605 5.733 -4.737 1.00 0.00 C ATOM 815 CG LYS A 52 -9.423 6.097 -5.621 1.00 0.00 C ATOM 816 CD LYS A 52 -9.569 7.495 -6.201 1.00 0.00 C ATOM 817 CE LYS A 52 -8.249 8.007 -6.753 1.00 0.00 C ATOM 818 NZ LYS A 52 -8.441 8.822 -7.985 1.00 0.00 N ATOM 0 H LYS A 52 -12.018 4.909 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.840 3.636 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.529 5.950 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.594 6.368 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.502 6.037 -5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.337 5.373 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.317 7.485 -6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.931 8.175 -5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.747 8.608 -5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.596 7.163 -6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.517 9.152 -8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.897 8.242 -8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.043 9.642 -7.769 1.00 0.00 H new ATOM 832 N VAL A 53 -8.857 4.484 -2.644 1.00 0.00 N ATOM 833 CA VAL A 53 -7.568 4.198 -2.021 1.00 0.00 C ATOM 834 C VAL A 53 -7.391 2.702 -1.774 1.00 0.00 C ATOM 835 O VAL A 53 -6.268 2.203 -1.719 1.00 0.00 O ATOM 836 CB VAL A 53 -7.411 4.952 -0.686 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.016 4.749 -0.114 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.709 6.434 -0.871 1.00 0.00 C ATOM 0 H VAL A 53 -9.414 5.185 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.800 4.539 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.130 4.545 0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.927 5.290 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.845 3.687 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.275 5.125 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.593 6.950 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.016 6.856 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.731 6.558 -1.229 1.00 0.00 H new ATOM 848 N GLU A 54 -8.506 1.992 -1.630 1.00 0.00 N ATOM 849 CA GLU A 54 -8.469 0.554 -1.393 1.00 0.00 C ATOM 850 C GLU A 54 -7.893 -0.175 -2.603 1.00 0.00 C ATOM 851 O GLU A 54 -7.181 -1.169 -2.462 1.00 0.00 O ATOM 852 CB GLU A 54 -9.873 0.029 -1.084 1.00 0.00 C ATOM 853 CG GLU A 54 -9.878 -1.332 -0.407 1.00 0.00 C ATOM 854 CD GLU A 54 -10.162 -2.463 -1.375 1.00 0.00 C ATOM 855 OE1 GLU A 54 -9.280 -2.769 -2.204 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.266 -3.043 -1.303 1.00 0.00 O ATOM 0 H GLU A 54 -9.445 2.389 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.825 0.365 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.387 0.746 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.441 -0.034 -2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.912 -1.500 0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.629 -1.338 0.383 1.00 0.00 H new ATOM 863 N GLU A 55 -8.204 0.332 -3.791 1.00 0.00 N ATOM 864 CA GLU A 55 -7.718 -0.263 -5.030 1.00 0.00 C ATOM 865 C GLU A 55 -6.239 0.054 -5.238 1.00 0.00 C ATOM 866 O GLU A 55 -5.515 -0.705 -5.881 1.00 0.00 O ATOM 867 CB GLU A 55 -8.537 0.247 -6.218 1.00 0.00 C ATOM 868 CG GLU A 55 -8.077 -0.307 -7.559 1.00 0.00 C ATOM 869 CD GLU A 55 -8.607 0.494 -8.732 1.00 0.00 C ATOM 870 OE1 GLU A 55 -8.572 1.741 -8.665 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.058 -0.126 -9.718 1.00 0.00 O ATOM 0 H GLU A 55 -8.792 1.155 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.832 -1.345 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.584 -0.015 -6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.482 1.335 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.987 -0.314 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.405 -1.342 -7.652 1.00 0.00 H new ATOM 878 N GLU A 56 -5.799 1.183 -4.691 1.00 0.00 N ATOM 879 CA GLU A 56 -4.410 1.607 -4.814 1.00 0.00 C ATOM 880 C GLU A 56 -3.486 0.708 -3.996 1.00 0.00 C ATOM 881 O GLU A 56 -2.316 0.532 -4.336 1.00 0.00 O ATOM 882 CB GLU A 56 -4.261 3.059 -4.356 1.00 0.00 C ATOM 883 CG GLU A 56 -4.565 4.075 -5.446 1.00 0.00 C ATOM 884 CD GLU A 56 -3.674 5.299 -5.365 1.00 0.00 C ATOM 885 OE1 GLU A 56 -2.473 5.140 -5.063 1.00 0.00 O ATOM 886 OE2 GLU A 56 -4.179 6.417 -5.604 1.00 0.00 O ATOM 0 H GLU A 56 -6.387 1.822 -4.157 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.124 1.528 -5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.927 3.235 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.243 3.216 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.442 3.604 -6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.608 4.383 -5.370 1.00 0.00 H new ATOM 893 N VAL A 57 -4.019 0.143 -2.917 1.00 0.00 N ATOM 894 CA VAL A 57 -3.243 -0.736 -2.051 1.00 0.00 C ATOM 895 C VAL A 57 -3.207 -2.157 -2.601 1.00 0.00 C ATOM 896 O VAL A 57 -2.283 -2.919 -2.323 1.00 0.00 O ATOM 897 CB VAL A 57 -3.821 -0.772 -0.623 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.868 -1.485 0.323 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.125 0.636 -0.128 1.00 0.00 C ATOM 0 H VAL A 57 -4.986 0.279 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.231 -0.332 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.757 -1.330 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.294 -1.500 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.712 -2.508 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.913 -0.959 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.532 0.587 0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.208 1.225 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.853 1.105 -0.790 1.00 0.00 H new ATOM 909 N LYS A 58 -4.227 -2.506 -3.376 1.00 0.00 N ATOM 910 CA LYS A 58 -4.330 -3.835 -3.966 1.00 0.00 C ATOM 911 C LYS A 58 -3.368 -4.003 -5.141 1.00 0.00 C ATOM 912 O LYS A 58 -2.939 -5.114 -5.442 1.00 0.00 O ATOM 913 CB LYS A 58 -5.766 -4.091 -4.426 1.00 0.00 C ATOM 914 CG LYS A 58 -6.543 -5.017 -3.505 1.00 0.00 C ATOM 915 CD LYS A 58 -7.704 -5.680 -4.231 1.00 0.00 C ATOM 916 CE LYS A 58 -7.924 -7.104 -3.748 1.00 0.00 C ATOM 917 NZ LYS A 58 -8.645 -7.144 -2.445 1.00 0.00 N ATOM 0 H LYS A 58 -4.999 -1.882 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.056 -4.563 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.291 -3.139 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.747 -4.520 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.875 -5.782 -3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.921 -4.452 -2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.612 -5.098 -4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.509 -5.685 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.494 -7.657 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.962 -7.605 -3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.775 -8.133 -2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.090 -6.639 -1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.574 -6.688 -2.548 1.00 0.00 H new ATOM 931 N LYS A 59 -3.054 -2.902 -5.814 1.00 0.00 N ATOM 932 CA LYS A 59 -2.161 -2.941 -6.970 1.00 0.00 C ATOM 933 C LYS A 59 -0.699 -3.096 -6.557 1.00 0.00 C ATOM 934 O LYS A 59 0.064 -3.797 -7.219 1.00 0.00 O ATOM 935 CB LYS A 59 -2.328 -1.675 -7.813 1.00 0.00 C ATOM 936 CG LYS A 59 -1.560 -1.715 -9.126 1.00 0.00 C ATOM 937 CD LYS A 59 -0.393 -0.740 -9.125 1.00 0.00 C ATOM 938 CE LYS A 59 -0.215 -0.086 -10.485 1.00 0.00 C ATOM 939 NZ LYS A 59 0.817 0.988 -10.456 1.00 0.00 N ATOM 0 H LYS A 59 -3.403 -1.972 -5.581 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.436 -3.814 -7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.387 -1.526 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.995 -0.815 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.190 -2.725 -9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.233 -1.476 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.559 0.028 -8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.522 -1.265 -8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.069 -0.842 -11.217 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.166 0.334 -10.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.907 1.408 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.534 1.723 -9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.731 0.584 -10.168 1.00 0.00 H new ATOM 953 N LEU A 60 -0.306 -2.433 -5.473 1.00 0.00 N ATOM 954 CA LEU A 60 1.075 -2.506 -5.003 1.00 0.00 C ATOM 955 C LEU A 60 1.345 -3.806 -4.255 1.00 0.00 C ATOM 956 O LEU A 60 2.483 -4.259 -4.183 1.00 0.00 O ATOM 957 CB LEU A 60 1.409 -1.321 -4.102 1.00 0.00 C ATOM 958 CG LEU A 60 2.904 -1.012 -4.000 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.170 0.466 -4.222 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.454 -1.465 -2.657 1.00 0.00 C ATOM 0 H LEU A 60 -0.917 -1.844 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 60 1.714 -2.475 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.892 -0.438 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.021 -1.518 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 60 3.419 -1.566 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.240 0.659 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.821 0.754 -5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.641 1.048 -3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.518 -1.237 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.931 -0.944 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.308 -2.540 -2.548 1.00 0.00 H new ATOM 972 N GLU A 61 0.300 -4.398 -3.695 1.00 0.00 N ATOM 973 CA GLU A 61 0.439 -5.644 -2.957 1.00 0.00 C ATOM 974 C GLU A 61 0.766 -6.789 -3.910 1.00 0.00 C ATOM 975 O GLU A 61 1.758 -7.497 -3.734 1.00 0.00 O ATOM 976 CB GLU A 61 -0.850 -5.941 -2.193 1.00 0.00 C ATOM 977 CG GLU A 61 -0.619 -6.415 -0.769 1.00 0.00 C ATOM 978 CD GLU A 61 -1.534 -7.560 -0.379 1.00 0.00 C ATOM 979 OE1 GLU A 61 -1.870 -8.378 -1.260 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.914 -7.637 0.809 1.00 0.00 O ATOM 0 H GLU A 61 -0.652 -4.036 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 61 1.257 -5.544 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.465 -5.041 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.415 -6.701 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.419 -6.730 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.773 -5.582 -0.083 1.00 0.00 H new ATOM 987 N GLU A 62 -0.072 -6.953 -4.927 1.00 0.00 N ATOM 988 CA GLU A 62 0.120 -7.997 -5.924 1.00 0.00 C ATOM 989 C GLU A 62 1.402 -7.755 -6.717 1.00 0.00 C ATOM 990 O GLU A 62 2.013 -8.691 -7.233 1.00 0.00 O ATOM 991 CB GLU A 62 -1.080 -8.041 -6.873 1.00 0.00 C ATOM 992 CG GLU A 62 -1.471 -9.447 -7.290 1.00 0.00 C ATOM 993 CD GLU A 62 -2.639 -9.465 -8.258 1.00 0.00 C ATOM 994 OE1 GLU A 62 -2.601 -8.706 -9.249 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.591 -10.240 -8.025 1.00 0.00 O ATOM 0 H GLU A 62 -0.896 -6.372 -5.082 1.00 0.00 H new ATOM 0 HA GLU A 62 0.206 -8.954 -5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.933 -7.563 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.850 -7.457 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.614 -9.937 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.730 -10.026 -6.404 1.00 0.00 H new ATOM 1002 N GLU A 63 1.801 -6.490 -6.807 1.00 0.00 N ATOM 1003 CA GLU A 63 3.006 -6.111 -7.533 1.00 0.00 C ATOM 1004 C GLU A 63 4.233 -6.813 -6.956 1.00 0.00 C ATOM 1005 O GLU A 63 4.954 -7.510 -7.668 1.00 0.00 O ATOM 1006 CB GLU A 63 3.191 -4.590 -7.480 1.00 0.00 C ATOM 1007 CG GLU A 63 2.605 -3.865 -8.680 1.00 0.00 C ATOM 1008 CD GLU A 63 3.669 -3.387 -9.649 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.518 -4.209 -10.051 1.00 0.00 O ATOM 1010 OE2 GLU A 63 3.651 -2.190 -10.006 1.00 0.00 O ATOM 0 H GLU A 63 1.303 -5.707 -6.383 1.00 0.00 H new ATOM 0 HA GLU A 63 2.895 -6.421 -8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.726 -4.207 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.255 -4.364 -7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.917 -4.530 -9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.023 -3.011 -8.335 1.00 0.00 H new ATOM 1017 N ILE A 64 4.454 -6.624 -5.660 1.00 0.00 N ATOM 1018 CA ILE A 64 5.584 -7.236 -4.973 1.00 0.00 C ATOM 1019 C ILE A 64 5.535 -8.757 -5.078 1.00 0.00 C ATOM 1020 O ILE A 64 6.561 -9.430 -4.980 1.00 0.00 O ATOM 1021 CB ILE A 64 5.613 -6.836 -3.483 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.493 -5.314 -3.334 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.889 -7.342 -2.820 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.585 -4.838 -1.899 1.00 0.00 C ATOM 0 H ILE A 64 3.862 -6.048 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 64 6.488 -6.872 -5.461 1.00 0.00 H new ATOM 0 HB ILE A 64 4.761 -7.298 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.280 -4.837 -3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.542 -4.990 -3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.893 -7.051 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.932 -8.428 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.755 -6.909 -3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.492 -3.752 -1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.782 -5.287 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.547 -5.132 -1.479 1.00 0.00 H new ATOM 1036 N LYS A 65 4.335 -9.296 -5.279 1.00 0.00 N ATOM 1037 CA LYS A 65 4.155 -10.738 -5.397 1.00 0.00 C ATOM 1038 C LYS A 65 4.903 -11.282 -6.611 1.00 0.00 C ATOM 1039 O LYS A 65 5.373 -12.420 -6.604 1.00 0.00 O ATOM 1040 CB LYS A 65 2.667 -11.081 -5.498 1.00 0.00 C ATOM 1041 CG LYS A 65 2.160 -11.940 -4.350 1.00 0.00 C ATOM 1042 CD LYS A 65 1.911 -11.112 -3.099 1.00 0.00 C ATOM 1043 CE LYS A 65 2.916 -11.435 -2.005 1.00 0.00 C ATOM 1044 NZ LYS A 65 2.287 -11.444 -0.656 1.00 0.00 N ATOM 0 H LYS A 65 3.474 -8.755 -5.363 1.00 0.00 H new ATOM 0 HA LYS A 65 4.566 -11.206 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.091 -10.156 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.486 -11.602 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.237 -12.438 -4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.887 -12.722 -4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.969 -10.052 -3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.901 -11.299 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.366 -12.408 -2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.722 -10.701 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.006 -11.668 0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.880 -10.508 -0.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.535 -12.162 -0.628 1.00 0.00 H new ATOM 1058 N LYS A 66 5.009 -10.462 -7.651 1.00 0.00 N ATOM 1059 CA LYS A 66 5.700 -10.860 -8.872 1.00 0.00 C ATOM 1060 C LYS A 66 7.183 -11.094 -8.606 1.00 0.00 C ATOM 1061 O LYS A 66 7.753 -12.092 -9.047 1.00 0.00 O ATOM 1062 CB LYS A 66 5.525 -9.793 -9.954 1.00 0.00 C ATOM 1063 CG LYS A 66 4.072 -9.452 -10.244 1.00 0.00 C ATOM 1064 CD LYS A 66 3.850 -9.160 -11.721 1.00 0.00 C ATOM 1065 CE LYS A 66 2.657 -9.925 -12.269 1.00 0.00 C ATOM 1066 NZ LYS A 66 3.023 -11.309 -12.677 1.00 0.00 N ATOM 0 H LYS A 66 4.625 -9.517 -7.673 1.00 0.00 H new ATOM 0 HA LYS A 66 5.260 -11.795 -9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.048 -8.887 -9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.999 -10.138 -10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.435 -10.281 -9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.776 -8.586 -9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.693 -8.091 -11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.744 -9.427 -12.284 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.873 -9.965 -11.513 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.246 -9.391 -13.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.181 -11.796 -13.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.753 -11.271 -13.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.391 -11.828 -11.854 1.00 0.00 H new