USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=7 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+ 172:sc= -0.016 (180deg=0) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 141:sc= -0.561 (180deg=-2.75!) USER MOD Single : A 10 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00264) 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 131:sc= -2.61! USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= -0.193 (180deg=-0.884) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0367) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc=-0.00543 (180deg=-0.0772) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -7.235 -1.619 7.353 1.00 0.00 N ATOM 94 CA LEU A 7 -6.576 -1.209 6.118 1.00 0.00 C ATOM 95 C LEU A 7 -5.220 -0.568 6.402 1.00 0.00 C ATOM 96 O LEU A 7 -4.277 -0.719 5.625 1.00 0.00 O ATOM 97 CB LEU A 7 -7.464 -0.227 5.350 1.00 0.00 C ATOM 98 CG LEU A 7 -7.355 -0.306 3.826 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.198 0.779 3.175 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.903 -0.190 3.389 1.00 0.00 C ATOM 0 HA LEU A 7 -6.412 -2.100 5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.502 -0.402 5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.214 0.786 5.664 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.734 -1.275 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.109 0.708 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.242 0.650 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.849 1.758 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.844 -0.248 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.497 0.765 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.325 -1.003 3.828 1.00 0.00 H new ATOM 112 N GLU A 8 -5.130 0.152 7.515 1.00 0.00 N ATOM 113 CA GLU A 8 -3.890 0.821 7.896 1.00 0.00 C ATOM 114 C GLU A 8 -2.808 -0.188 8.269 1.00 0.00 C ATOM 115 O GLU A 8 -1.624 0.041 8.025 1.00 0.00 O ATOM 116 CB GLU A 8 -4.141 1.773 9.067 1.00 0.00 C ATOM 117 CG GLU A 8 -4.640 3.144 8.640 1.00 0.00 C ATOM 118 CD GLU A 8 -4.947 4.045 9.820 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.453 3.536 10.841 1.00 0.00 O ATOM 120 OE2 GLU A 8 -4.679 5.262 9.722 1.00 0.00 O ATOM 0 H GLU A 8 -5.900 0.288 8.170 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.540 1.392 7.036 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.871 1.323 9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.217 1.892 9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.889 3.620 8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.538 3.027 8.033 1.00 0.00 H new ATOM 127 N GLU A 9 -3.219 -1.301 8.867 1.00 0.00 N ATOM 128 CA GLU A 9 -2.281 -2.342 9.277 1.00 0.00 C ATOM 129 C GLU A 9 -1.820 -3.179 8.084 1.00 0.00 C ATOM 130 O GLU A 9 -0.792 -3.854 8.149 1.00 0.00 O ATOM 131 CB GLU A 9 -2.921 -3.245 10.339 1.00 0.00 C ATOM 132 CG GLU A 9 -4.022 -4.147 9.805 1.00 0.00 C ATOM 133 CD GLU A 9 -4.019 -5.517 10.456 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.087 -6.302 10.184 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.951 -5.804 11.236 1.00 0.00 O ATOM 0 H GLU A 9 -4.195 -1.506 9.079 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.405 -1.853 9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.145 -3.864 10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.331 -2.620 11.133 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.989 -3.672 9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.903 -4.260 8.727 1.00 0.00 H new ATOM 142 N LYS A 10 -2.590 -3.139 7.001 1.00 0.00 N ATOM 143 CA LYS A 10 -2.265 -3.900 5.799 1.00 0.00 C ATOM 144 C LYS A 10 -1.058 -3.308 5.076 1.00 0.00 C ATOM 145 O LYS A 10 -0.182 -4.037 4.613 1.00 0.00 O ATOM 146 CB LYS A 10 -3.473 -3.939 4.861 1.00 0.00 C ATOM 147 CG LYS A 10 -4.172 -5.290 4.825 1.00 0.00 C ATOM 148 CD LYS A 10 -4.357 -5.787 3.400 1.00 0.00 C ATOM 149 CE LYS A 10 -3.191 -6.655 2.957 1.00 0.00 C ATOM 150 NZ LYS A 10 -3.269 -8.027 3.530 1.00 0.00 N ATOM 0 H LYS A 10 -3.445 -2.587 6.931 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.010 -4.916 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.188 -3.177 5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.149 -3.680 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.590 -6.017 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.144 -5.211 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.283 -6.357 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.455 -4.936 2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.178 -6.717 1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.255 -6.187 3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.317 -8.445 3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.657 -7.979 4.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.888 -8.616 2.937 1.00 0.00 H new ATOM 164 N VAL A 11 -1.023 -1.983 4.976 1.00 0.00 N ATOM 165 CA VAL A 11 0.075 -1.297 4.302 1.00 0.00 C ATOM 166 C VAL A 11 1.308 -1.214 5.190 1.00 0.00 C ATOM 167 O VAL A 11 2.434 -1.190 4.699 1.00 0.00 O ATOM 168 CB VAL A 11 -0.328 0.123 3.861 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.763 0.748 3.003 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.653 0.094 3.114 1.00 0.00 C ATOM 0 H VAL A 11 -1.741 -1.363 5.352 1.00 0.00 H new ATOM 0 HA VAL A 11 0.312 -1.887 3.417 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.453 0.738 4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.459 1.751 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.688 0.806 3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.924 0.136 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.922 1.106 2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.559 -0.537 2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.429 -0.307 3.765 1.00 0.00 H new ATOM 180 N LYS A 12 1.086 -1.175 6.493 1.00 0.00 N ATOM 181 CA LYS A 12 2.181 -1.103 7.454 1.00 0.00 C ATOM 182 C LYS A 12 3.027 -2.367 7.377 1.00 0.00 C ATOM 183 O LYS A 12 4.250 -2.321 7.510 1.00 0.00 O ATOM 184 CB LYS A 12 1.637 -0.915 8.872 1.00 0.00 C ATOM 185 CG LYS A 12 2.361 0.162 9.664 1.00 0.00 C ATOM 186 CD LYS A 12 3.391 -0.439 10.608 1.00 0.00 C ATOM 187 CE LYS A 12 4.680 -0.789 9.882 1.00 0.00 C ATOM 188 NZ LYS A 12 5.849 -0.055 10.443 1.00 0.00 N ATOM 0 H LYS A 12 0.157 -1.192 6.913 1.00 0.00 H new ATOM 0 HA LYS A 12 2.806 -0.245 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.578 -0.663 8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.711 -1.861 9.409 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.853 0.851 8.978 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.638 0.743 10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.605 0.267 11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.980 -1.335 11.073 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.857 -1.862 9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.576 -0.552 8.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.709 -0.321 9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.692 0.969 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.964 -0.300 11.447 1.00 0.00 H new ATOM 202 N ALA A 13 2.364 -3.490 7.130 1.00 0.00 N ATOM 203 CA ALA A 13 3.049 -4.769 6.996 1.00 0.00 C ATOM 204 C ALA A 13 3.619 -4.898 5.590 1.00 0.00 C ATOM 205 O ALA A 13 4.579 -5.630 5.349 1.00 0.00 O ATOM 206 CB ALA A 13 2.098 -5.918 7.297 1.00 0.00 C ATOM 0 H ALA A 13 1.351 -3.541 7.018 1.00 0.00 H new ATOM 0 HA ALA A 13 3.867 -4.812 7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.627 -6.865 7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.723 -5.823 8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.261 -5.890 6.599 1.00 0.00 H new ATOM 212 N LEU A 14 3.008 -4.159 4.673 1.00 0.00 N ATOM 213 CA LEU A 14 3.413 -4.140 3.279 1.00 0.00 C ATOM 214 C LEU A 14 4.794 -3.505 3.121 1.00 0.00 C ATOM 215 O LEU A 14 5.511 -3.781 2.160 1.00 0.00 O ATOM 216 CB LEU A 14 2.372 -3.361 2.474 1.00 0.00 C ATOM 217 CG LEU A 14 2.246 -3.753 1.003 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.818 -3.537 0.525 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.219 -2.957 0.150 1.00 0.00 C ATOM 0 H LEU A 14 2.213 -3.554 4.880 1.00 0.00 H new ATOM 0 HA LEU A 14 3.476 -5.163 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.400 -3.490 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.616 -2.300 2.529 1.00 0.00 H new ATOM 0 HG LEU A 14 2.493 -4.810 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.739 -3.819 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.139 -4.150 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.551 -2.486 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.113 -3.252 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.005 -1.893 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.239 -3.154 0.481 1.00 0.00 H new ATOM 231 N GLU A 15 5.155 -2.646 4.072 1.00 0.00 N ATOM 232 CA GLU A 15 6.440 -1.958 4.046 1.00 0.00 C ATOM 233 C GLU A 15 7.566 -2.879 4.511 1.00 0.00 C ATOM 234 O GLU A 15 8.591 -3.006 3.840 1.00 0.00 O ATOM 235 CB GLU A 15 6.380 -0.707 4.928 1.00 0.00 C ATOM 236 CG GLU A 15 7.729 -0.035 5.139 1.00 0.00 C ATOM 237 CD GLU A 15 7.619 1.265 5.910 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.693 2.052 5.619 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.459 1.497 6.806 1.00 0.00 O ATOM 0 H GLU A 15 4.570 -2.410 4.874 1.00 0.00 H new ATOM 0 HA GLU A 15 6.650 -1.662 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.694 0.011 4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.965 -0.978 5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.390 -0.716 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.189 0.159 4.170 1.00 0.00 H new ATOM 246 N GLU A 16 7.373 -3.515 5.663 1.00 0.00 N ATOM 247 CA GLU A 16 8.379 -4.420 6.215 1.00 0.00 C ATOM 248 C GLU A 16 8.856 -5.420 5.164 1.00 0.00 C ATOM 249 O GLU A 16 9.986 -5.907 5.225 1.00 0.00 O ATOM 250 CB GLU A 16 7.816 -5.165 7.427 1.00 0.00 C ATOM 251 CG GLU A 16 6.628 -6.054 7.100 1.00 0.00 C ATOM 252 CD GLU A 16 6.583 -7.306 7.955 1.00 0.00 C ATOM 253 OE1 GLU A 16 7.039 -7.246 9.117 1.00 0.00 O ATOM 254 OE2 GLU A 16 6.094 -8.344 7.462 1.00 0.00 O ATOM 0 H GLU A 16 6.532 -3.421 6.232 1.00 0.00 H new ATOM 0 HA GLU A 16 9.233 -3.820 6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.605 -5.775 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.518 -4.438 8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.707 -5.489 7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.670 -6.338 6.048 1.00 0.00 H new ATOM 261 N LYS A 17 7.991 -5.720 4.201 1.00 0.00 N ATOM 262 CA LYS A 17 8.327 -6.657 3.136 1.00 0.00 C ATOM 263 C LYS A 17 9.253 -6.008 2.112 1.00 0.00 C ATOM 264 O LYS A 17 10.196 -6.635 1.627 1.00 0.00 O ATOM 265 CB LYS A 17 7.054 -7.153 2.446 1.00 0.00 C ATOM 266 CG LYS A 17 7.087 -8.630 2.094 1.00 0.00 C ATOM 267 CD LYS A 17 5.702 -9.251 2.170 1.00 0.00 C ATOM 268 CE LYS A 17 5.669 -10.623 1.517 1.00 0.00 C ATOM 269 NZ LYS A 17 4.360 -11.303 1.719 1.00 0.00 N ATOM 0 H LYS A 17 7.052 -5.328 4.136 1.00 0.00 H new ATOM 0 HA LYS A 17 8.846 -7.505 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.201 -6.963 3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.896 -6.575 1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.489 -8.757 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.759 -9.153 2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.397 -9.336 3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.981 -8.596 1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.864 -10.522 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.466 -11.241 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.378 -12.235 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.185 -11.423 2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.601 -10.726 1.303 1.00 0.00 H new ATOM 283 N VAL A 18 8.980 -4.747 1.789 1.00 0.00 N ATOM 284 CA VAL A 18 9.787 -4.012 0.824 1.00 0.00 C ATOM 285 C VAL A 18 11.085 -3.524 1.453 1.00 0.00 C ATOM 286 O VAL A 18 12.175 -3.808 0.958 1.00 0.00 O ATOM 287 CB VAL A 18 9.029 -2.798 0.266 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.779 -2.193 -0.911 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.612 -3.184 -0.133 1.00 0.00 C ATOM 0 H VAL A 18 8.205 -4.214 2.183 1.00 0.00 H new ATOM 0 HA VAL A 18 10.009 -4.704 0.011 1.00 0.00 H new ATOM 0 HB VAL A 18 8.964 -2.044 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.226 -1.334 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.769 -1.872 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.881 -2.938 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.093 -2.309 -0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.648 -3.959 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.078 -3.561 0.739 1.00 0.00 H new ATOM 299 N LYS A 19 10.961 -2.786 2.550 1.00 0.00 N ATOM 300 CA LYS A 19 12.125 -2.255 3.248 1.00 0.00 C ATOM 301 C LYS A 19 13.101 -3.369 3.619 1.00 0.00 C ATOM 302 O LYS A 19 14.287 -3.120 3.834 1.00 0.00 O ATOM 303 CB LYS A 19 11.690 -1.500 4.507 1.00 0.00 C ATOM 304 CG LYS A 19 11.183 -0.093 4.227 1.00 0.00 C ATOM 305 CD LYS A 19 11.934 0.947 5.042 1.00 0.00 C ATOM 306 CE LYS A 19 11.089 2.188 5.275 1.00 0.00 C ATOM 307 NZ LYS A 19 11.338 2.787 6.616 1.00 0.00 N ATOM 0 H LYS A 19 10.066 -2.542 2.975 1.00 0.00 H new ATOM 0 HA LYS A 19 12.634 -1.565 2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.906 -2.067 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.532 -1.443 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.292 0.129 3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.119 -0.037 4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.225 0.518 6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.853 1.223 4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.306 2.925 4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.034 1.931 5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.742 3.631 6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.106 2.093 7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.339 3.056 6.696 1.00 0.00 H new ATOM 321 N ALA A 20 12.596 -4.597 3.691 1.00 0.00 N ATOM 322 CA ALA A 20 13.426 -5.745 4.033 1.00 0.00 C ATOM 323 C ALA A 20 14.001 -6.408 2.785 1.00 0.00 C ATOM 324 O ALA A 20 14.945 -7.193 2.871 1.00 0.00 O ATOM 325 CB ALA A 20 12.621 -6.752 4.842 1.00 0.00 C ATOM 0 H ALA A 20 11.616 -4.822 3.517 1.00 0.00 H new ATOM 0 HA ALA A 20 14.261 -5.388 4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.252 -7.605 5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.267 -6.282 5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.767 -7.091 4.255 1.00 0.00 H new ATOM 331 N LEU A 21 13.431 -6.091 1.624 1.00 0.00 N ATOM 332 CA LEU A 21 13.899 -6.663 0.367 1.00 0.00 C ATOM 333 C LEU A 21 14.744 -5.654 -0.407 1.00 0.00 C ATOM 334 O LEU A 21 14.646 -4.447 -0.187 1.00 0.00 O ATOM 335 CB LEU A 21 12.710 -7.136 -0.483 1.00 0.00 C ATOM 336 CG LEU A 21 12.007 -6.053 -1.307 1.00 0.00 C ATOM 337 CD1 LEU A 21 12.768 -5.780 -2.594 1.00 0.00 C ATOM 338 CD2 LEU A 21 10.574 -6.464 -1.611 1.00 0.00 C ATOM 0 H LEU A 21 12.648 -5.444 1.529 1.00 0.00 H new ATOM 0 HA LEU A 21 14.525 -7.525 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.060 -7.913 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.976 -7.597 0.178 1.00 0.00 H new ATOM 0 HG LEU A 21 11.986 -5.134 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.252 -5.008 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.777 -5.442 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 21 12.822 -6.694 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.088 -5.684 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.575 -7.396 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.031 -6.608 -0.677 1.00 0.00 H new ATOM 371 N GLY A 25 14.445 -1.591 -10.054 1.00 0.00 N ATOM 372 CA GLY A 25 13.463 -1.648 -11.120 1.00 0.00 C ATOM 373 C GLY A 25 12.039 -1.625 -10.601 1.00 0.00 C ATOM 374 O GLY A 25 11.534 -0.577 -10.200 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.614 -0.805 -11.794 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.618 -2.555 -11.704 1.00 0.00 H new ATOM 378 N ARG A 26 11.389 -2.785 -10.606 1.00 0.00 N ATOM 379 CA ARG A 26 10.015 -2.896 -10.131 1.00 0.00 C ATOM 380 C ARG A 26 9.899 -2.439 -8.678 1.00 0.00 C ATOM 381 O ARG A 26 8.843 -1.980 -8.244 1.00 0.00 O ATOM 382 CB ARG A 26 9.515 -4.340 -10.271 1.00 0.00 C ATOM 383 CG ARG A 26 10.039 -5.286 -9.198 1.00 0.00 C ATOM 384 CD ARG A 26 11.541 -5.486 -9.318 1.00 0.00 C ATOM 385 NE ARG A 26 12.028 -6.535 -8.425 1.00 0.00 N ATOM 386 CZ ARG A 26 13.154 -7.216 -8.624 1.00 0.00 C ATOM 387 NH1 ARG A 26 13.918 -6.960 -9.678 1.00 0.00 N ATOM 388 NH2 ARG A 26 13.521 -8.156 -7.763 1.00 0.00 N ATOM 0 H ARG A 26 11.793 -3.662 -10.934 1.00 0.00 H new ATOM 0 HA ARG A 26 9.393 -2.245 -10.746 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.425 -4.341 -10.240 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.806 -4.721 -11.250 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.802 -4.887 -8.212 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.535 -6.249 -9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.791 -5.742 -10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.051 -4.550 -9.089 1.00 0.00 H new ATOM 0 HE ARG A 26 11.472 -6.759 -7.600 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.644 -6.237 -10.343 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.779 -7.486 -9.823 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.940 -8.357 -6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.384 -8.678 -7.915 1.00 0.00 H new ATOM 402 N ILE A 27 10.990 -2.575 -7.932 1.00 0.00 N ATOM 403 CA ILE A 27 11.011 -2.187 -6.530 1.00 0.00 C ATOM 404 C ILE A 27 10.896 -0.673 -6.374 1.00 0.00 C ATOM 405 O ILE A 27 10.370 -0.183 -5.376 1.00 0.00 O ATOM 406 CB ILE A 27 12.296 -2.672 -5.831 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.496 -4.170 -6.067 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.240 -2.370 -4.338 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.869 -4.667 -5.669 1.00 0.00 C ATOM 0 H ILE A 27 11.872 -2.952 -8.278 1.00 0.00 H new ATOM 0 HA ILE A 27 10.151 -2.662 -6.058 1.00 0.00 H new ATOM 0 HB ILE A 27 13.145 -2.137 -6.257 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.742 -4.722 -5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.331 -4.388 -7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.156 -2.720 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.140 -1.295 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.384 -2.879 -3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.939 -5.737 -5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.628 -4.142 -6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.030 -4.480 -4.607 1.00 0.00 H new ATOM 421 N GLU A 28 11.395 0.061 -7.363 1.00 0.00 N ATOM 422 CA GLU A 28 11.352 1.518 -7.329 1.00 0.00 C ATOM 423 C GLU A 28 9.913 2.027 -7.313 1.00 0.00 C ATOM 424 O GLU A 28 9.523 2.771 -6.415 1.00 0.00 O ATOM 425 CB GLU A 28 12.098 2.099 -8.532 1.00 0.00 C ATOM 426 CG GLU A 28 12.653 3.493 -8.288 1.00 0.00 C ATOM 427 CD GLU A 28 11.695 4.586 -8.722 1.00 0.00 C ATOM 428 OE1 GLU A 28 11.401 4.670 -9.933 1.00 0.00 O ATOM 429 OE2 GLU A 28 11.241 5.357 -7.851 1.00 0.00 O ATOM 0 H GLU A 28 11.834 -0.329 -8.197 1.00 0.00 H new ATOM 0 HA GLU A 28 11.841 1.846 -6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.918 1.432 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.423 2.130 -9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.876 3.611 -7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.594 3.605 -8.826 1.00 0.00 H new ATOM 436 N GLU A 29 9.128 1.624 -8.307 1.00 0.00 N ATOM 437 CA GLU A 29 7.733 2.046 -8.398 1.00 0.00 C ATOM 438 C GLU A 29 6.952 1.610 -7.161 1.00 0.00 C ATOM 439 O GLU A 29 5.986 2.261 -6.762 1.00 0.00 O ATOM 440 CB GLU A 29 7.083 1.467 -9.658 1.00 0.00 C ATOM 441 CG GLU A 29 5.606 1.810 -9.797 1.00 0.00 C ATOM 442 CD GLU A 29 5.329 2.741 -10.960 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.621 2.356 -12.111 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.819 3.856 -10.720 1.00 0.00 O ATOM 0 H GLU A 29 9.432 1.007 -9.060 1.00 0.00 H new ATOM 0 HA GLU A 29 7.711 3.134 -8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.617 1.836 -10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.196 0.383 -9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.035 0.891 -9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.256 2.274 -8.875 1.00 0.00 H new ATOM 451 N LEU A 30 7.376 0.503 -6.563 1.00 0.00 N ATOM 452 CA LEU A 30 6.719 -0.029 -5.375 1.00 0.00 C ATOM 453 C LEU A 30 7.002 0.836 -4.150 1.00 0.00 C ATOM 454 O LEU A 30 6.259 0.798 -3.171 1.00 0.00 O ATOM 455 CB LEU A 30 7.192 -1.460 -5.112 1.00 0.00 C ATOM 456 CG LEU A 30 6.524 -2.535 -5.970 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.455 -3.721 -6.167 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.216 -2.982 -5.336 1.00 0.00 C ATOM 0 H LEU A 30 8.175 -0.045 -6.883 1.00 0.00 H new ATOM 0 HA LEU A 30 5.644 -0.025 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.269 -1.505 -5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.018 -1.696 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 30 6.306 -2.107 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.960 -4.474 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.366 -3.389 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.707 -4.151 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.753 -3.747 -5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.413 -3.391 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.543 -2.129 -5.249 1.00 0.00 H new ATOM 470 N LYS A 31 8.091 1.598 -4.204 1.00 0.00 N ATOM 471 CA LYS A 31 8.487 2.457 -3.091 1.00 0.00 C ATOM 472 C LYS A 31 7.671 3.747 -3.036 1.00 0.00 C ATOM 473 O LYS A 31 7.019 4.031 -2.036 1.00 0.00 O ATOM 474 CB LYS A 31 9.976 2.792 -3.205 1.00 0.00 C ATOM 475 CG LYS A 31 10.484 3.708 -2.105 1.00 0.00 C ATOM 476 CD LYS A 31 11.918 3.376 -1.722 1.00 0.00 C ATOM 477 CE LYS A 31 12.785 4.624 -1.666 1.00 0.00 C ATOM 478 NZ LYS A 31 12.556 5.405 -0.420 1.00 0.00 N ATOM 0 H LYS A 31 8.717 1.638 -5.009 1.00 0.00 H new ATOM 0 HA LYS A 31 8.294 1.909 -2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.550 1.865 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.160 3.263 -4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.426 4.745 -2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.842 3.617 -1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.931 2.880 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.335 2.674 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.835 4.339 -1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.574 5.252 -2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.166 6.247 -0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.560 5.699 -0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.782 4.815 0.406 1.00 0.00 H new ATOM 492 N LYS A 32 7.729 4.531 -4.107 1.00 0.00 N ATOM 493 CA LYS A 32 7.012 5.803 -4.173 1.00 0.00 C ATOM 494 C LYS A 32 5.538 5.643 -3.813 1.00 0.00 C ATOM 495 O LYS A 32 5.045 6.277 -2.882 1.00 0.00 O ATOM 496 CB LYS A 32 7.140 6.407 -5.574 1.00 0.00 C ATOM 497 CG LYS A 32 6.496 7.777 -5.705 1.00 0.00 C ATOM 498 CD LYS A 32 7.344 8.855 -5.050 1.00 0.00 C ATOM 499 CE LYS A 32 6.825 9.204 -3.664 1.00 0.00 C ATOM 500 NZ LYS A 32 5.701 10.180 -3.718 1.00 0.00 N ATOM 0 H LYS A 32 8.267 4.309 -4.945 1.00 0.00 H new ATOM 0 HA LYS A 32 7.464 6.473 -3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.196 6.485 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.684 5.730 -6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.354 8.014 -6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.507 7.761 -5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.377 8.514 -4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.346 9.748 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.492 8.295 -3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.637 9.619 -3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.377 10.390 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.024 11.057 -4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.915 9.775 -4.266 1.00 0.00 H new ATOM 514 N LYS A 33 4.840 4.805 -4.565 1.00 0.00 N ATOM 515 CA LYS A 33 3.417 4.566 -4.339 1.00 0.00 C ATOM 516 C LYS A 33 3.152 4.002 -2.943 1.00 0.00 C ATOM 517 O LYS A 33 2.050 4.135 -2.412 1.00 0.00 O ATOM 518 CB LYS A 33 2.868 3.609 -5.399 1.00 0.00 C ATOM 519 CG LYS A 33 1.361 3.424 -5.326 1.00 0.00 C ATOM 520 CD LYS A 33 0.820 2.764 -6.585 1.00 0.00 C ATOM 521 CE LYS A 33 1.319 1.335 -6.724 1.00 0.00 C ATOM 522 NZ LYS A 33 2.358 1.209 -7.784 1.00 0.00 N ATOM 0 H LYS A 33 5.236 4.275 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 33 2.906 5.526 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.133 3.984 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.351 2.638 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.110 2.815 -4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.881 4.392 -5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.270 2.769 -6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.122 3.342 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.730 1.000 -5.772 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.481 0.679 -6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.768 0.254 -7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.925 1.373 -8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.107 1.912 -7.621 1.00 0.00 H new ATOM 536 N CYS A 34 4.154 3.347 -2.368 1.00 0.00 N ATOM 537 CA CYS A 34 4.021 2.734 -1.047 1.00 0.00 C ATOM 538 C CYS A 34 3.713 3.756 0.051 1.00 0.00 C ATOM 539 O CYS A 34 2.715 3.627 0.761 1.00 0.00 O ATOM 540 CB CYS A 34 5.306 1.981 -0.700 1.00 0.00 C ATOM 541 SG CYS A 34 5.059 0.208 -0.367 1.00 0.00 S ATOM 0 H CYS A 34 5.072 3.225 -2.796 1.00 0.00 H new ATOM 0 HA CYS A 34 3.176 2.047 -1.094 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.013 2.091 -1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.761 2.444 0.175 1.00 0.00 H new ATOM 0 HG CYS A 34 5.919 -0.486 -1.051 1.00 0.00 H new ATOM 546 N GLU A 35 4.582 4.749 0.206 1.00 0.00 N ATOM 547 CA GLU A 35 4.405 5.764 1.244 1.00 0.00 C ATOM 548 C GLU A 35 3.220 6.679 0.956 1.00 0.00 C ATOM 549 O GLU A 35 2.323 6.817 1.784 1.00 0.00 O ATOM 550 CB GLU A 35 5.680 6.594 1.409 1.00 0.00 C ATOM 551 CG GLU A 35 6.274 7.052 0.092 1.00 0.00 C ATOM 552 CD GLU A 35 6.662 8.518 0.102 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.390 8.933 1.028 1.00 0.00 O ATOM 554 OE2 GLU A 35 6.236 9.251 -0.815 1.00 0.00 O ATOM 0 H GLU A 35 5.414 4.875 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 35 4.197 5.236 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.459 7.467 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.421 6.004 1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.154 6.449 -0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.554 6.877 -0.707 1.00 0.00 H new ATOM 561 N GLU A 36 3.218 7.304 -0.217 1.00 0.00 N ATOM 562 CA GLU A 36 2.141 8.209 -0.603 1.00 0.00 C ATOM 563 C GLU A 36 0.774 7.579 -0.347 1.00 0.00 C ATOM 564 O GLU A 36 -0.210 8.277 -0.101 1.00 0.00 O ATOM 565 CB GLU A 36 2.270 8.588 -2.080 1.00 0.00 C ATOM 566 CG GLU A 36 1.715 9.964 -2.406 1.00 0.00 C ATOM 567 CD GLU A 36 0.799 9.952 -3.614 1.00 0.00 C ATOM 568 OE1 GLU A 36 1.313 9.847 -4.749 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.432 10.048 -3.428 1.00 0.00 O ATOM 0 H GLU A 36 3.952 7.200 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 36 2.224 9.108 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.322 8.553 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.751 7.844 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.168 10.345 -1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.541 10.651 -2.588 1.00 0.00 H new ATOM 576 N LEU A 37 0.726 6.255 -0.412 1.00 0.00 N ATOM 577 CA LEU A 37 -0.509 5.513 -0.194 1.00 0.00 C ATOM 578 C LEU A 37 -0.939 5.576 1.270 1.00 0.00 C ATOM 579 O LEU A 37 -2.128 5.670 1.572 1.00 0.00 O ATOM 580 CB LEU A 37 -0.318 4.057 -0.627 1.00 0.00 C ATOM 581 CG LEU A 37 -1.449 3.096 -0.250 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.810 3.744 -0.472 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.333 1.803 -1.046 1.00 0.00 C ATOM 0 H LEU A 37 1.535 5.669 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.296 5.970 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.192 4.033 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.609 3.686 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.358 2.860 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.597 3.041 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.892 4.639 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.917 4.015 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.144 1.130 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.396 2.025 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.376 1.327 -0.830 1.00 0.00 H new ATOM 595 N LYS A 38 0.034 5.517 2.172 1.00 0.00 N ATOM 596 CA LYS A 38 -0.247 5.561 3.604 1.00 0.00 C ATOM 597 C LYS A 38 -0.887 6.888 4.005 1.00 0.00 C ATOM 598 O LYS A 38 -1.987 6.915 4.558 1.00 0.00 O ATOM 599 CB LYS A 38 1.040 5.338 4.402 1.00 0.00 C ATOM 600 CG LYS A 38 0.923 4.241 5.450 1.00 0.00 C ATOM 601 CD LYS A 38 2.172 3.374 5.497 1.00 0.00 C ATOM 602 CE LYS A 38 3.039 3.709 6.699 1.00 0.00 C ATOM 603 NZ LYS A 38 2.313 3.504 7.984 1.00 0.00 N ATOM 0 H LYS A 38 1.024 5.439 1.938 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.954 4.763 3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.846 5.086 3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.320 6.270 4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.754 4.689 6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.056 3.618 5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.885 2.323 5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.748 3.514 4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.934 3.087 6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.369 4.745 6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.995 3.275 8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.800 4.373 8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.637 2.721 7.879 1.00 0.00 H new ATOM 617 N LYS A 39 -0.191 7.987 3.728 1.00 0.00 N ATOM 618 CA LYS A 39 -0.686 9.319 4.062 1.00 0.00 C ATOM 619 C LYS A 39 -2.116 9.522 3.566 1.00 0.00 C ATOM 620 O LYS A 39 -2.899 10.245 4.182 1.00 0.00 O ATOM 621 CB LYS A 39 0.229 10.388 3.464 1.00 0.00 C ATOM 622 CG LYS A 39 0.398 10.272 1.959 1.00 0.00 C ATOM 623 CD LYS A 39 1.493 11.194 1.450 1.00 0.00 C ATOM 624 CE LYS A 39 1.100 12.656 1.589 1.00 0.00 C ATOM 625 NZ LYS A 39 2.236 13.495 2.059 1.00 0.00 N ATOM 0 H LYS A 39 0.721 7.981 3.271 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.687 9.411 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.174 11.373 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.209 10.322 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.637 9.241 1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.543 10.516 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.413 11.009 2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.701 10.970 0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.746 13.030 0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.270 12.744 2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.926 14.484 2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.558 13.155 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.019 13.432 1.377 1.00 0.00 H new ATOM 639 N LYS A 40 -2.449 8.879 2.452 1.00 0.00 N ATOM 640 CA LYS A 40 -3.785 8.993 1.880 1.00 0.00 C ATOM 641 C LYS A 40 -4.825 8.353 2.795 1.00 0.00 C ATOM 642 O LYS A 40 -5.997 8.731 2.775 1.00 0.00 O ATOM 643 CB LYS A 40 -3.830 8.338 0.498 1.00 0.00 C ATOM 644 CG LYS A 40 -4.994 8.805 -0.360 1.00 0.00 C ATOM 645 CD LYS A 40 -4.710 8.614 -1.840 1.00 0.00 C ATOM 646 CE LYS A 40 -5.925 8.952 -2.689 1.00 0.00 C ATOM 647 NZ LYS A 40 -6.276 10.397 -2.606 1.00 0.00 N ATOM 0 H LYS A 40 -1.814 8.276 1.929 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.020 10.052 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.897 8.548 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.890 7.257 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.893 8.252 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.195 9.858 -0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.872 9.245 -2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.412 7.582 -2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.728 8.685 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.775 8.353 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.044 10.607 -3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.587 10.624 -1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.442 10.971 -2.845 1.00 0.00 H new ATOM 661 N ILE A 41 -4.392 7.389 3.599 1.00 0.00 N ATOM 662 CA ILE A 41 -5.290 6.707 4.522 1.00 0.00 C ATOM 663 C ILE A 41 -5.633 7.608 5.701 1.00 0.00 C ATOM 664 O ILE A 41 -6.736 7.547 6.243 1.00 0.00 O ATOM 665 CB ILE A 41 -4.672 5.398 5.052 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.027 4.611 3.907 1.00 0.00 C ATOM 667 CG2 ILE A 41 -5.733 4.560 5.751 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.504 3.252 4.321 1.00 0.00 C ATOM 0 H ILE A 41 -3.426 7.063 3.630 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.197 6.466 3.967 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.896 5.645 5.777 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.759 4.481 3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.205 5.196 3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.284 3.638 6.121 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.148 5.122 6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.529 4.318 5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.062 2.754 3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.748 3.374 5.097 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.325 2.648 4.707 1.00 0.00 H new ATOM 680 N GLU A 42 -4.683 8.454 6.087 1.00 0.00 N ATOM 681 CA GLU A 42 -4.885 9.379 7.195 1.00 0.00 C ATOM 682 C GLU A 42 -5.932 10.423 6.827 1.00 0.00 C ATOM 683 O GLU A 42 -6.729 10.843 7.666 1.00 0.00 O ATOM 684 CB GLU A 42 -3.569 10.063 7.567 1.00 0.00 C ATOM 685 CG GLU A 42 -2.495 9.100 8.043 1.00 0.00 C ATOM 686 CD GLU A 42 -1.139 9.764 8.189 1.00 0.00 C ATOM 687 OE1 GLU A 42 -0.678 10.391 7.212 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.540 9.657 9.279 1.00 0.00 O ATOM 0 H GLU A 42 -3.765 8.517 5.648 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.240 8.813 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.196 10.610 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.760 10.797 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.792 8.675 9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.416 8.272 7.338 1.00 0.00 H new ATOM 695 N GLU A 43 -5.926 10.835 5.562 1.00 0.00 N ATOM 696 CA GLU A 43 -6.876 11.825 5.075 1.00 0.00 C ATOM 697 C GLU A 43 -8.277 11.226 4.994 1.00 0.00 C ATOM 698 O GLU A 43 -9.277 11.928 5.143 1.00 0.00 O ATOM 699 CB GLU A 43 -6.439 12.353 3.702 1.00 0.00 C ATOM 700 CG GLU A 43 -6.618 11.361 2.561 1.00 0.00 C ATOM 701 CD GLU A 43 -7.147 12.015 1.300 1.00 0.00 C ATOM 702 OE1 GLU A 43 -6.446 12.885 0.742 1.00 0.00 O ATOM 703 OE2 GLU A 43 -8.263 11.656 0.869 1.00 0.00 O ATOM 0 H GLU A 43 -5.272 10.497 4.856 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.898 12.659 5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.007 13.255 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.389 12.642 3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.662 10.884 2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.304 10.573 2.873 1.00 0.00 H new ATOM 710 N LEU A 44 -8.333 9.921 4.755 1.00 0.00 N ATOM 711 CA LEU A 44 -9.600 9.209 4.651 1.00 0.00 C ATOM 712 C LEU A 44 -10.380 9.291 5.959 1.00 0.00 C ATOM 713 O LEU A 44 -9.838 9.675 6.995 1.00 0.00 O ATOM 714 CB LEU A 44 -9.347 7.745 4.282 1.00 0.00 C ATOM 715 CG LEU A 44 -9.424 7.433 2.786 1.00 0.00 C ATOM 716 CD1 LEU A 44 -8.971 6.007 2.515 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.838 7.654 2.268 1.00 0.00 C ATOM 0 H LEU A 44 -7.510 9.332 4.629 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.195 9.680 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.361 7.459 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.073 7.123 4.805 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.755 8.111 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.032 5.803 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.941 5.883 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.614 5.312 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.875 7.427 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.527 7.000 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.126 8.693 2.428 1.00 0.00 H new ATOM 757 N GLU A 49 -14.843 7.200 -0.093 1.00 0.00 N ATOM 758 CA GLU A 49 -13.541 7.269 -0.749 1.00 0.00 C ATOM 759 C GLU A 49 -12.630 6.139 -0.277 1.00 0.00 C ATOM 760 O GLU A 49 -11.684 5.761 -0.969 1.00 0.00 O ATOM 761 CB GLU A 49 -12.880 8.620 -0.474 1.00 0.00 C ATOM 762 CG GLU A 49 -12.105 9.171 -1.659 1.00 0.00 C ATOM 763 CD GLU A 49 -11.751 10.636 -1.496 1.00 0.00 C ATOM 764 OE1 GLU A 49 -12.618 11.408 -1.034 1.00 0.00 O ATOM 765 OE2 GLU A 49 -10.607 11.011 -1.828 1.00 0.00 O ATOM 0 HA GLU A 49 -13.698 7.159 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.648 9.339 -0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.205 8.518 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.190 8.593 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.696 9.043 -2.566 1.00 0.00 H new ATOM 772 N VAL A 50 -12.920 5.602 0.906 1.00 0.00 N ATOM 773 CA VAL A 50 -12.129 4.515 1.473 1.00 0.00 C ATOM 774 C VAL A 50 -11.933 3.382 0.469 1.00 0.00 C ATOM 775 O VAL A 50 -10.941 2.657 0.522 1.00 0.00 O ATOM 776 CB VAL A 50 -12.790 3.951 2.745 1.00 0.00 C ATOM 777 CG1 VAL A 50 -14.131 3.308 2.418 1.00 0.00 C ATOM 778 CG2 VAL A 50 -11.867 2.958 3.433 1.00 0.00 C ATOM 0 H VAL A 50 -13.699 5.904 1.491 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.156 4.935 1.728 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.971 4.778 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.579 2.917 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.794 4.053 1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.981 2.493 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.352 2.571 4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.648 2.134 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.938 3.456 3.710 1.00 0.00 H new ATOM 788 N LYS A 51 -12.890 3.234 -0.440 1.00 0.00 N ATOM 789 CA LYS A 51 -12.827 2.187 -1.455 1.00 0.00 C ATOM 790 C LYS A 51 -11.755 2.496 -2.496 1.00 0.00 C ATOM 791 O LYS A 51 -11.142 1.587 -3.057 1.00 0.00 O ATOM 792 CB LYS A 51 -14.186 2.030 -2.138 1.00 0.00 C ATOM 793 CG LYS A 51 -14.682 3.299 -2.810 1.00 0.00 C ATOM 794 CD LYS A 51 -15.646 2.989 -3.944 1.00 0.00 C ATOM 795 CE LYS A 51 -17.083 2.924 -3.452 1.00 0.00 C ATOM 796 NZ LYS A 51 -17.511 1.526 -3.172 1.00 0.00 N ATOM 0 H LYS A 51 -13.719 3.825 -0.496 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.565 1.252 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.119 1.237 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.920 1.711 -1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.177 3.932 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.833 3.863 -3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.559 3.753 -4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.375 2.039 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.184 3.523 -2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.743 3.363 -4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.496 1.525 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.439 0.960 -4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.897 1.115 -2.440 1.00 0.00 H new ATOM 810 N LYS A 52 -11.533 3.781 -2.752 1.00 0.00 N ATOM 811 CA LYS A 52 -10.536 4.206 -3.728 1.00 0.00 C ATOM 812 C LYS A 52 -9.128 3.850 -3.259 1.00 0.00 C ATOM 813 O LYS A 52 -8.395 3.144 -3.950 1.00 0.00 O ATOM 814 CB LYS A 52 -10.645 5.715 -3.970 1.00 0.00 C ATOM 815 CG LYS A 52 -9.514 6.286 -4.810 1.00 0.00 C ATOM 816 CD LYS A 52 -9.842 7.682 -5.313 1.00 0.00 C ATOM 817 CE LYS A 52 -9.306 7.910 -6.718 1.00 0.00 C ATOM 818 NZ LYS A 52 -8.726 9.272 -6.878 1.00 0.00 N ATOM 0 H LYS A 52 -12.030 4.547 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.728 3.680 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.594 5.927 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.665 6.227 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.600 6.317 -4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.322 5.629 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.922 7.827 -5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.417 8.423 -4.636 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.544 7.163 -6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.110 7.771 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.372 9.387 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.459 9.986 -6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.941 9.396 -6.207 1.00 0.00 H new ATOM 832 N VAL A 53 -8.758 4.342 -2.081 1.00 0.00 N ATOM 833 CA VAL A 53 -7.438 4.072 -1.520 1.00 0.00 C ATOM 834 C VAL A 53 -7.211 2.574 -1.345 1.00 0.00 C ATOM 835 O VAL A 53 -6.073 2.105 -1.354 1.00 0.00 O ATOM 836 CB VAL A 53 -7.251 4.771 -0.160 1.00 0.00 C ATOM 837 CG1 VAL A 53 -5.803 4.673 0.298 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.694 6.224 -0.242 1.00 0.00 C ATOM 0 H VAL A 53 -9.353 4.929 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.708 4.467 -2.226 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.875 4.265 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.691 5.173 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.523 3.624 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.156 5.152 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.555 6.702 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.098 6.744 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.747 6.268 -0.521 1.00 0.00 H new ATOM 848 N GLU A 54 -8.300 1.825 -1.191 1.00 0.00 N ATOM 849 CA GLU A 54 -8.214 0.380 -1.020 1.00 0.00 C ATOM 850 C GLU A 54 -7.665 -0.275 -2.282 1.00 0.00 C ATOM 851 O GLU A 54 -6.882 -1.223 -2.214 1.00 0.00 O ATOM 852 CB GLU A 54 -9.591 -0.199 -0.684 1.00 0.00 C ATOM 853 CG GLU A 54 -9.561 -1.222 0.440 1.00 0.00 C ATOM 854 CD GLU A 54 -10.375 -2.461 0.123 1.00 0.00 C ATOM 855 OE1 GLU A 54 -9.868 -3.333 -0.613 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.521 -2.559 0.611 1.00 0.00 O ATOM 0 H GLU A 54 -9.250 2.195 -1.181 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.534 0.171 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.261 0.615 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.008 -0.664 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.528 -1.511 0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.943 -0.765 1.353 1.00 0.00 H new ATOM 863 N GLU A 55 -8.078 0.244 -3.433 1.00 0.00 N ATOM 864 CA GLU A 55 -7.628 -0.280 -4.716 1.00 0.00 C ATOM 865 C GLU A 55 -6.167 0.084 -4.963 1.00 0.00 C ATOM 866 O GLU A 55 -5.449 -0.626 -5.666 1.00 0.00 O ATOM 867 CB GLU A 55 -8.503 0.267 -5.848 1.00 0.00 C ATOM 868 CG GLU A 55 -8.124 -0.266 -7.220 1.00 0.00 C ATOM 869 CD GLU A 55 -7.472 0.787 -8.097 1.00 0.00 C ATOM 870 OE1 GLU A 55 -7.994 1.920 -8.150 1.00 0.00 O ATOM 871 OE2 GLU A 55 -6.442 0.476 -8.730 1.00 0.00 O ATOM 0 H GLU A 55 -8.725 1.029 -3.503 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.716 -1.366 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.544 0.017 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.433 1.355 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.442 -1.108 -7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.017 -0.645 -7.717 1.00 0.00 H new ATOM 878 N GLU A 56 -5.737 1.198 -4.377 1.00 0.00 N ATOM 879 CA GLU A 56 -4.364 1.665 -4.525 1.00 0.00 C ATOM 880 C GLU A 56 -3.393 0.746 -3.788 1.00 0.00 C ATOM 881 O GLU A 56 -2.234 0.607 -4.179 1.00 0.00 O ATOM 882 CB GLU A 56 -4.238 3.094 -3.993 1.00 0.00 C ATOM 883 CG GLU A 56 -4.774 4.148 -4.947 1.00 0.00 C ATOM 884 CD GLU A 56 -4.164 5.516 -4.709 1.00 0.00 C ATOM 885 OE1 GLU A 56 -2.942 5.664 -4.918 1.00 0.00 O ATOM 886 OE2 GLU A 56 -4.907 6.437 -4.312 1.00 0.00 O ATOM 0 H GLU A 56 -6.323 1.795 -3.793 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.110 1.652 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.772 3.168 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.189 3.304 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.574 3.839 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.857 4.213 -4.839 1.00 0.00 H new ATOM 893 N VAL A 57 -3.879 0.117 -2.723 1.00 0.00 N ATOM 894 CA VAL A 57 -3.063 -0.793 -1.928 1.00 0.00 C ATOM 895 C VAL A 57 -3.034 -2.184 -2.547 1.00 0.00 C ATOM 896 O VAL A 57 -2.098 -2.951 -2.332 1.00 0.00 O ATOM 897 CB VAL A 57 -3.583 -0.903 -0.480 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.612 -1.698 0.378 1.00 0.00 C ATOM 899 CG2 VAL A 57 -3.822 0.478 0.113 1.00 0.00 C ATOM 0 H VAL A 57 -4.837 0.222 -2.390 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.055 -0.379 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.535 -1.433 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.996 -1.765 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.500 -2.701 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.643 -1.199 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.188 0.377 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.888 1.039 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.561 1.009 -0.487 1.00 0.00 H new ATOM 909 N LYS A 58 -4.075 -2.505 -3.308 1.00 0.00 N ATOM 910 CA LYS A 58 -4.183 -3.806 -3.956 1.00 0.00 C ATOM 911 C LYS A 58 -3.241 -3.913 -5.154 1.00 0.00 C ATOM 912 O LYS A 58 -2.803 -5.004 -5.511 1.00 0.00 O ATOM 913 CB LYS A 58 -5.624 -4.047 -4.405 1.00 0.00 C ATOM 914 CG LYS A 58 -6.392 -4.998 -3.500 1.00 0.00 C ATOM 915 CD LYS A 58 -7.881 -4.692 -3.507 1.00 0.00 C ATOM 916 CE LYS A 58 -8.474 -4.849 -4.898 1.00 0.00 C ATOM 917 NZ LYS A 58 -9.842 -5.438 -4.856 1.00 0.00 N ATOM 0 H LYS A 58 -4.859 -1.879 -3.491 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.894 -4.567 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.148 -3.092 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.618 -4.448 -5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.229 -6.025 -3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.009 -4.923 -2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.394 -5.359 -2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.046 -3.675 -3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.513 -3.876 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.824 -5.484 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.211 -5.528 -5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.802 -6.377 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.469 -4.820 -4.303 1.00 0.00 H new ATOM 931 N LYS A 59 -2.945 -2.777 -5.779 1.00 0.00 N ATOM 932 CA LYS A 59 -2.067 -2.754 -6.945 1.00 0.00 C ATOM 933 C LYS A 59 -0.604 -2.926 -6.547 1.00 0.00 C ATOM 934 O LYS A 59 0.139 -3.664 -7.194 1.00 0.00 O ATOM 935 CB LYS A 59 -2.242 -1.444 -7.715 1.00 0.00 C ATOM 936 CG LYS A 59 -1.536 -1.431 -9.062 1.00 0.00 C ATOM 937 CD LYS A 59 -0.199 -0.711 -8.988 1.00 0.00 C ATOM 938 CE LYS A 59 0.533 -0.757 -10.320 1.00 0.00 C ATOM 939 NZ LYS A 59 2.013 -0.724 -10.144 1.00 0.00 N ATOM 0 H LYS A 59 -3.299 -1.862 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.346 -3.591 -7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.306 -1.262 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.863 -0.622 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.380 -2.455 -9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.171 -0.944 -9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.359 0.327 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.419 -1.168 -8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.252 -1.663 -10.857 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.222 0.088 -10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.459 -1.364 -10.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.359 0.245 -10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.255 -1.029 -9.180 1.00 0.00 H new ATOM 953 N LEU A 60 -0.190 -2.236 -5.490 1.00 0.00 N ATOM 954 CA LEU A 60 1.192 -2.312 -5.025 1.00 0.00 C ATOM 955 C LEU A 60 1.486 -3.650 -4.356 1.00 0.00 C ATOM 956 O LEU A 60 2.633 -4.086 -4.313 1.00 0.00 O ATOM 957 CB LEU A 60 1.499 -1.174 -4.053 1.00 0.00 C ATOM 958 CG LEU A 60 2.990 -0.924 -3.826 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.315 0.555 -3.920 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.428 -1.491 -2.485 1.00 0.00 C ATOM 0 H LEU A 60 -0.788 -1.620 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 60 1.833 -2.218 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.042 -0.258 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.030 -1.394 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 60 3.544 -1.437 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.382 0.704 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.046 0.924 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.751 1.100 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.492 -1.304 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.863 -1.011 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.243 -2.565 -2.466 1.00 0.00 H new ATOM 972 N GLU A 61 0.451 -4.295 -3.833 1.00 0.00 N ATOM 973 CA GLU A 61 0.616 -5.581 -3.168 1.00 0.00 C ATOM 974 C GLU A 61 0.964 -6.666 -4.180 1.00 0.00 C ATOM 975 O GLU A 61 1.984 -7.343 -4.056 1.00 0.00 O ATOM 976 CB GLU A 61 -0.662 -5.954 -2.416 1.00 0.00 C ATOM 977 CG GLU A 61 -0.405 -6.572 -1.051 1.00 0.00 C ATOM 978 CD GLU A 61 -1.641 -7.222 -0.460 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.686 -7.249 -1.146 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.565 -7.704 0.689 1.00 0.00 O ATOM 0 H GLU A 61 -0.509 -3.950 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 61 1.435 -5.498 -2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.275 -5.061 -2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.238 -6.655 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.386 -7.317 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.044 -5.801 -0.370 1.00 0.00 H new ATOM 987 N GLU A 62 0.108 -6.820 -5.184 1.00 0.00 N ATOM 988 CA GLU A 62 0.320 -7.813 -6.228 1.00 0.00 C ATOM 989 C GLU A 62 1.638 -7.563 -6.954 1.00 0.00 C ATOM 990 O GLU A 62 2.246 -8.488 -7.494 1.00 0.00 O ATOM 991 CB GLU A 62 -0.840 -7.780 -7.225 1.00 0.00 C ATOM 992 CG GLU A 62 -1.208 -9.147 -7.773 1.00 0.00 C ATOM 993 CD GLU A 62 -2.303 -9.081 -8.820 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.425 -8.652 -8.479 1.00 0.00 O ATOM 995 OE2 GLU A 62 -2.038 -9.457 -9.981 1.00 0.00 O ATOM 0 H GLU A 62 -0.742 -6.267 -5.296 1.00 0.00 H new ATOM 0 HA GLU A 62 0.365 -8.797 -5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.714 -7.345 -6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.577 -7.124 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.322 -9.610 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.533 -9.787 -6.953 1.00 0.00 H new ATOM 1002 N GLU A 63 2.072 -6.307 -6.964 1.00 0.00 N ATOM 1003 CA GLU A 63 3.316 -5.932 -7.624 1.00 0.00 C ATOM 1004 C GLU A 63 4.512 -6.613 -6.962 1.00 0.00 C ATOM 1005 O GLU A 63 5.354 -7.203 -7.638 1.00 0.00 O ATOM 1006 CB GLU A 63 3.484 -4.409 -7.605 1.00 0.00 C ATOM 1007 CG GLU A 63 3.348 -3.766 -8.974 1.00 0.00 C ATOM 1008 CD GLU A 63 4.689 -3.423 -9.593 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.639 -4.217 -9.429 1.00 0.00 O ATOM 1010 OE2 GLU A 63 4.789 -2.361 -10.243 1.00 0.00 O ATOM 0 H GLU A 63 1.579 -5.531 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 63 3.271 -6.267 -8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.740 -3.978 -6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.463 -4.165 -7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.808 -4.442 -9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.749 -2.859 -8.888 1.00 0.00 H new ATOM 1017 N ILE A 64 4.575 -6.538 -5.637 1.00 0.00 N ATOM 1018 CA ILE A 64 5.661 -7.158 -4.887 1.00 0.00 C ATOM 1019 C ILE A 64 5.610 -8.677 -5.013 1.00 0.00 C ATOM 1020 O ILE A 64 6.623 -9.358 -4.852 1.00 0.00 O ATOM 1021 CB ILE A 64 5.603 -6.781 -3.392 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.430 -5.269 -3.226 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.858 -7.260 -2.677 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.478 -4.807 -1.783 1.00 0.00 C ATOM 0 H ILE A 64 3.887 -6.054 -5.060 1.00 0.00 H new ATOM 0 HA ILE A 64 6.593 -6.785 -5.312 1.00 0.00 H new ATOM 0 HB ILE A 64 4.741 -7.274 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.212 -4.758 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.477 -4.971 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.803 -6.987 -1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.937 -8.343 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.734 -6.793 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.349 -3.725 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.679 -5.289 -1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.441 -5.074 -1.347 1.00 0.00 H new ATOM 1036 N LYS A 65 4.422 -9.203 -5.300 1.00 0.00 N ATOM 1037 CA LYS A 65 4.238 -10.642 -5.444 1.00 0.00 C ATOM 1038 C LYS A 65 5.098 -11.192 -6.577 1.00 0.00 C ATOM 1039 O LYS A 65 5.609 -12.309 -6.496 1.00 0.00 O ATOM 1040 CB LYS A 65 2.763 -10.964 -5.700 1.00 0.00 C ATOM 1041 CG LYS A 65 2.089 -11.688 -4.545 1.00 0.00 C ATOM 1042 CD LYS A 65 2.095 -10.845 -3.281 1.00 0.00 C ATOM 1043 CE LYS A 65 2.208 -11.711 -2.036 1.00 0.00 C ATOM 1044 NZ LYS A 65 0.871 -12.088 -1.498 1.00 0.00 N ATOM 0 H LYS A 65 3.574 -8.654 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 65 4.551 -11.119 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.226 -10.036 -5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.684 -11.577 -6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.062 -11.932 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.601 -12.632 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.928 -10.143 -3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.181 -10.253 -3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.772 -12.613 -2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.769 -11.175 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.992 -12.678 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.342 -11.228 -1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.345 -12.622 -2.219 1.00 0.00 H new ATOM 1058 N LYS A 66 5.256 -10.400 -7.632 1.00 0.00 N ATOM 1059 CA LYS A 66 6.056 -10.807 -8.780 1.00 0.00 C ATOM 1060 C LYS A 66 7.510 -11.019 -8.376 1.00 0.00 C ATOM 1061 O LYS A 66 8.061 -12.108 -8.543 1.00 0.00 O ATOM 1062 CB LYS A 66 5.970 -9.758 -9.889 1.00 0.00 C ATOM 1063 CG LYS A 66 4.683 -9.831 -10.696 1.00 0.00 C ATOM 1064 CD LYS A 66 4.809 -10.805 -11.855 1.00 0.00 C ATOM 1065 CE LYS A 66 3.482 -11.481 -12.161 1.00 0.00 C ATOM 1066 NZ LYS A 66 3.127 -12.498 -11.133 1.00 0.00 N ATOM 0 H LYS A 66 4.840 -9.472 -7.715 1.00 0.00 H new ATOM 0 HA LYS A 66 5.658 -11.750 -9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.056 -8.766 -9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.819 -9.882 -10.562 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.863 -10.139 -10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.434 -8.840 -11.077 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.161 -10.275 -12.740 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.557 -11.561 -11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.695 -10.729 -12.214 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.534 -11.957 -13.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.366 -13.107 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.962 -13.079 -10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.805 -12.019 -10.268 1.00 0.00 H new