USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= 1.08 (180deg=0.498) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -67:sc= -0.0703 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= 1.59 (180deg=0.643) USER MOD Single : A 24 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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= 1.48 (180deg=1.38) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= -0.67 (180deg=-0.725) USER MOD Single : A 46 THR OG1 : rot -83:sc= -0.587! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 0.973 K(o=0.97,f=-3.5!) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 2.09 (180deg=2.01) USER MOD Single : A 58 TYR OH : rot 97:sc= -0.257 USER MOD ----------------------------------------------------------------- ATOM 71 N LYS A 6 -2.797 4.308 4.210 1.00 0.00 N ATOM 72 CA LYS A 6 -2.241 4.403 5.540 1.00 0.00 C ATOM 73 C LYS A 6 -0.788 4.816 5.430 1.00 0.00 C ATOM 74 O LYS A 6 -0.100 4.347 4.549 1.00 0.00 O ATOM 75 CB LYS A 6 -2.386 3.049 6.259 1.00 0.00 C ATOM 76 CG LYS A 6 -1.828 2.997 7.672 1.00 0.00 C ATOM 77 CD LYS A 6 -2.128 1.669 8.316 1.00 0.00 C ATOM 78 CE LYS A 6 -1.603 1.603 9.731 1.00 0.00 C ATOM 79 NZ LYS A 6 -1.952 0.321 10.386 1.00 0.00 N ATOM 0 HA LYS A 6 -2.775 5.151 6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.444 2.787 6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.888 2.285 5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.751 3.160 7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.259 3.801 8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.205 1.501 8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.682 0.869 7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.520 1.725 9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.013 2.431 10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.575 0.312 11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.986 0.217 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.540 -0.467 9.847 1.00 0.00 H new ATOM 93 N PRO A 7 -0.328 5.769 6.251 1.00 0.00 N ATOM 94 CA PRO A 7 1.059 6.164 6.243 1.00 0.00 C ATOM 95 C PRO A 7 1.949 5.143 6.927 1.00 0.00 C ATOM 96 O PRO A 7 1.656 4.669 8.040 1.00 0.00 O ATOM 97 CB PRO A 7 1.099 7.507 6.965 1.00 0.00 C ATOM 98 CG PRO A 7 -0.178 7.604 7.735 1.00 0.00 C ATOM 99 CD PRO A 7 -1.125 6.545 7.216 1.00 0.00 C ATOM 0 HA PRO A 7 1.441 6.237 5.225 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.960 7.566 7.630 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.189 8.329 6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.008 7.459 8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.617 8.595 7.620 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.493 5.913 8.024 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.997 6.993 6.739 1.00 0.00 H new ATOM 107 N VAL A 8 3.011 4.806 6.265 1.00 0.00 N ATOM 108 CA VAL A 8 3.947 3.852 6.759 1.00 0.00 C ATOM 109 C VAL A 8 5.293 4.540 6.982 1.00 0.00 C ATOM 110 O VAL A 8 5.627 5.517 6.295 1.00 0.00 O ATOM 111 CB VAL A 8 4.086 2.634 5.779 1.00 0.00 C ATOM 112 CG1 VAL A 8 4.589 3.054 4.419 1.00 0.00 C ATOM 113 CG2 VAL A 8 4.953 1.527 6.356 1.00 0.00 C ATOM 0 H VAL A 8 3.254 5.193 5.353 1.00 0.00 H new ATOM 0 HA VAL A 8 3.587 3.456 7.709 1.00 0.00 H new ATOM 0 HB VAL A 8 3.081 2.232 5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.669 2.179 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.892 3.767 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.569 3.520 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.019 0.707 5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.952 1.914 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.511 1.165 7.284 1.00 0.00 H new ATOM 123 N LYS A 9 6.008 4.075 7.971 1.00 0.00 N ATOM 124 CA LYS A 9 7.329 4.565 8.292 1.00 0.00 C ATOM 125 C LYS A 9 8.247 4.117 7.152 1.00 0.00 C ATOM 126 O LYS A 9 8.513 2.919 6.994 1.00 0.00 O ATOM 127 CB LYS A 9 7.718 3.908 9.628 1.00 0.00 C ATOM 128 CG LYS A 9 9.019 4.329 10.291 1.00 0.00 C ATOM 129 CD LYS A 9 9.155 3.558 11.607 1.00 0.00 C ATOM 130 CE LYS A 9 10.363 3.961 12.436 1.00 0.00 C ATOM 131 NZ LYS A 9 11.649 3.661 11.786 1.00 0.00 N ATOM 0 H LYS A 9 5.686 3.331 8.590 1.00 0.00 H new ATOM 0 HA LYS A 9 7.392 5.648 8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.910 4.093 10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.761 2.831 9.468 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.865 4.118 9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.021 5.403 10.477 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.253 3.709 12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.217 2.492 11.387 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.311 5.030 12.644 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.322 3.447 13.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.411 4.177 12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.835 2.639 11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.611 3.954 10.789 1.00 0.00 H new ATOM 145 N VAL A 10 8.680 5.041 6.331 1.00 0.00 N ATOM 146 CA VAL A 10 9.443 4.676 5.171 1.00 0.00 C ATOM 147 C VAL A 10 10.619 5.624 4.950 1.00 0.00 C ATOM 148 O VAL A 10 10.597 6.785 5.364 1.00 0.00 O ATOM 149 CB VAL A 10 8.512 4.618 3.911 1.00 0.00 C ATOM 150 CG1 VAL A 10 7.908 5.974 3.582 1.00 0.00 C ATOM 151 CG2 VAL A 10 9.213 4.030 2.703 1.00 0.00 C ATOM 0 H VAL A 10 8.518 6.042 6.445 1.00 0.00 H new ATOM 0 HA VAL A 10 9.863 3.684 5.337 1.00 0.00 H new ATOM 0 HB VAL A 10 7.694 3.947 4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.271 5.885 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.314 6.322 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.706 6.689 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.526 4.012 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.081 4.641 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.537 3.014 2.929 1.00 0.00 H new ATOM 161 N LYS A 11 11.653 5.111 4.343 1.00 0.00 N ATOM 162 CA LYS A 11 12.794 5.899 4.004 1.00 0.00 C ATOM 163 C LYS A 11 12.655 6.390 2.589 1.00 0.00 C ATOM 164 O LYS A 11 12.161 5.670 1.713 1.00 0.00 O ATOM 165 CB LYS A 11 14.085 5.103 4.172 1.00 0.00 C ATOM 166 CG LYS A 11 14.307 4.621 5.586 1.00 0.00 C ATOM 167 CD LYS A 11 15.633 3.911 5.738 1.00 0.00 C ATOM 168 CE LYS A 11 15.806 3.434 7.160 1.00 0.00 C ATOM 169 NZ LYS A 11 17.128 2.830 7.399 1.00 0.00 N ATOM 0 H LYS A 11 11.723 4.131 4.071 1.00 0.00 H new ATOM 0 HA LYS A 11 12.846 6.752 4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.065 4.244 3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.929 5.723 3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.269 5.470 6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.499 3.947 5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.681 3.064 5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.448 4.584 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.666 4.274 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.030 2.704 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.194 2.520 8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.254 2.011 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.871 3.532 7.206 1.00 0.00 H new ATOM 183 N THR A 12 13.060 7.597 2.380 1.00 0.00 N ATOM 184 CA THR A 12 12.987 8.221 1.091 1.00 0.00 C ATOM 185 C THR A 12 14.324 8.000 0.362 1.00 0.00 C ATOM 186 O THR A 12 15.290 7.520 0.984 1.00 0.00 O ATOM 187 CB THR A 12 12.742 9.735 1.267 1.00 0.00 C ATOM 188 OG1 THR A 12 13.814 10.285 2.030 1.00 0.00 O ATOM 189 CG2 THR A 12 11.424 10.001 1.985 1.00 0.00 C ATOM 0 H THR A 12 13.458 8.191 3.107 1.00 0.00 H new ATOM 0 HA THR A 12 12.170 7.790 0.512 1.00 0.00 H new ATOM 0 HB THR A 12 12.692 10.199 0.282 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.783 9.928 2.942 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.280 11.076 2.094 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.602 9.582 1.405 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.446 9.536 2.971 1.00 0.00 H new ATOM 197 N PRO A 13 14.432 8.354 -0.941 1.00 0.00 N ATOM 198 CA PRO A 13 15.693 8.218 -1.686 1.00 0.00 C ATOM 199 C PRO A 13 16.753 9.205 -1.185 1.00 0.00 C ATOM 200 O PRO A 13 17.929 9.077 -1.487 1.00 0.00 O ATOM 201 CB PRO A 13 15.303 8.557 -3.134 1.00 0.00 C ATOM 202 CG PRO A 13 13.818 8.491 -3.174 1.00 0.00 C ATOM 203 CD PRO A 13 13.347 8.862 -1.810 1.00 0.00 C ATOM 0 HA PRO A 13 16.128 7.225 -1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.659 9.548 -3.414 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.746 7.850 -3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.418 9.175 -3.923 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.480 7.490 -3.443 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.216 9.939 -1.706 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.389 8.400 -1.573 1.00 0.00 H new ATOM 211 N ALA A 14 16.319 10.170 -0.389 1.00 0.00 N ATOM 212 CA ALA A 14 17.197 11.190 0.149 1.00 0.00 C ATOM 213 C ALA A 14 17.992 10.660 1.342 1.00 0.00 C ATOM 214 O ALA A 14 19.030 11.209 1.696 1.00 0.00 O ATOM 215 CB ALA A 14 16.391 12.419 0.545 1.00 0.00 C ATOM 0 H ALA A 14 15.346 10.266 -0.099 1.00 0.00 H new ATOM 0 HA ALA A 14 17.909 11.472 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.061 13.179 0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.878 12.815 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.657 12.144 1.302 1.00 0.00 H new ATOM 221 N GLY A 15 17.497 9.596 1.956 1.00 0.00 N ATOM 222 CA GLY A 15 18.183 9.005 3.090 1.00 0.00 C ATOM 223 C GLY A 15 17.462 9.276 4.388 1.00 0.00 C ATOM 224 O GLY A 15 17.708 8.622 5.415 1.00 0.00 O ATOM 0 H GLY A 15 16.630 9.129 1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 15 18.270 7.929 2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 15 19.197 9.402 3.148 1.00 0.00 H new ATOM 228 N LYS A 16 16.578 10.242 4.349 1.00 0.00 N ATOM 229 CA LYS A 16 15.786 10.612 5.502 1.00 0.00 C ATOM 230 C LYS A 16 14.576 9.681 5.582 1.00 0.00 C ATOM 231 O LYS A 16 14.155 9.088 4.559 1.00 0.00 O ATOM 232 CB LYS A 16 15.305 12.071 5.372 1.00 0.00 C ATOM 233 CG LYS A 16 14.365 12.245 4.214 1.00 0.00 C ATOM 234 CD LYS A 16 13.880 13.655 3.982 1.00 0.00 C ATOM 235 CE LYS A 16 12.970 13.643 2.766 1.00 0.00 C ATOM 236 NZ LYS A 16 12.303 14.917 2.508 1.00 0.00 N ATOM 0 H LYS A 16 16.385 10.797 3.515 1.00 0.00 H new ATOM 0 HA LYS A 16 16.391 10.523 6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.807 12.373 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.165 12.728 5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.862 11.896 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.499 11.602 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.343 14.022 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.723 14.327 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.556 13.368 1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.214 12.869 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.443 14.751 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.047 15.364 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.944 15.544 1.981 1.00 0.00 H new ATOM 250 N GLU A 17 14.024 9.577 6.745 1.00 0.00 N ATOM 251 CA GLU A 17 12.881 8.757 6.991 1.00 0.00 C ATOM 252 C GLU A 17 11.695 9.649 7.310 1.00 0.00 C ATOM 253 O GLU A 17 11.871 10.724 7.918 1.00 0.00 O ATOM 254 CB GLU A 17 13.171 7.825 8.164 1.00 0.00 C ATOM 255 CG GLU A 17 12.012 6.938 8.541 1.00 0.00 C ATOM 256 CD GLU A 17 12.306 6.055 9.704 1.00 0.00 C ATOM 257 OE1 GLU A 17 12.411 6.558 10.833 1.00 0.00 O ATOM 258 OE2 GLU A 17 12.410 4.827 9.523 1.00 0.00 O ATOM 0 H GLU A 17 14.362 10.071 7.571 1.00 0.00 H new ATOM 0 HA GLU A 17 12.653 8.156 6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.028 7.200 7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.454 8.424 9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.147 7.559 8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.740 6.322 7.684 1.00 0.00 H new ATOM 265 N ALA A 18 10.524 9.240 6.886 1.00 0.00 N ATOM 266 CA ALA A 18 9.305 9.954 7.158 1.00 0.00 C ATOM 267 C ALA A 18 8.152 8.978 7.089 1.00 0.00 C ATOM 268 O ALA A 18 8.263 7.928 6.453 1.00 0.00 O ATOM 269 CB ALA A 18 9.107 11.079 6.144 1.00 0.00 C ATOM 0 H ALA A 18 10.392 8.391 6.336 1.00 0.00 H new ATOM 0 HA ALA A 18 9.354 10.402 8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.180 11.609 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.945 11.774 6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.054 10.659 5.140 1.00 0.00 H new ATOM 275 N GLU A 19 7.082 9.271 7.764 1.00 0.00 N ATOM 276 CA GLU A 19 5.917 8.439 7.669 1.00 0.00 C ATOM 277 C GLU A 19 5.090 8.970 6.531 1.00 0.00 C ATOM 278 O GLU A 19 4.467 10.026 6.635 1.00 0.00 O ATOM 279 CB GLU A 19 5.143 8.428 8.983 1.00 0.00 C ATOM 280 CG GLU A 19 5.959 7.876 10.141 1.00 0.00 C ATOM 281 CD GLU A 19 5.249 7.955 11.462 1.00 0.00 C ATOM 282 OE1 GLU A 19 5.292 9.020 12.107 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.674 6.944 11.910 1.00 0.00 O ATOM 0 H GLU A 19 6.989 10.075 8.384 1.00 0.00 H new ATOM 0 HA GLU A 19 6.192 7.402 7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.824 9.443 9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.240 7.830 8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.212 6.836 9.934 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.898 8.425 10.208 1.00 0.00 H new ATOM 290 N LEU A 20 5.124 8.272 5.444 1.00 0.00 N ATOM 291 CA LEU A 20 4.500 8.721 4.236 1.00 0.00 C ATOM 292 C LEU A 20 3.402 7.780 3.830 1.00 0.00 C ATOM 293 O LEU A 20 3.467 6.578 4.113 1.00 0.00 O ATOM 294 CB LEU A 20 5.551 8.864 3.118 1.00 0.00 C ATOM 295 CG LEU A 20 6.588 9.993 3.290 1.00 0.00 C ATOM 296 CD1 LEU A 20 7.595 9.981 2.160 1.00 0.00 C ATOM 297 CD2 LEU A 20 5.913 11.340 3.336 1.00 0.00 C ATOM 0 H LEU A 20 5.588 7.367 5.365 1.00 0.00 H new ATOM 0 HA LEU A 20 4.053 9.700 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.087 7.919 3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.027 9.022 2.175 1.00 0.00 H new ATOM 0 HG LEU A 20 7.106 9.818 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.315 10.787 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.118 9.025 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.078 10.123 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.665 12.120 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.366 11.505 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.219 11.371 4.176 1.00 0.00 H new ATOM 309 N VAL A 21 2.391 8.311 3.212 1.00 0.00 N ATOM 310 CA VAL A 21 1.292 7.518 2.769 1.00 0.00 C ATOM 311 C VAL A 21 1.487 7.150 1.294 1.00 0.00 C ATOM 312 O VAL A 21 1.778 8.014 0.463 1.00 0.00 O ATOM 313 CB VAL A 21 -0.084 8.228 3.025 1.00 0.00 C ATOM 314 CG1 VAL A 21 -0.254 9.518 2.232 1.00 0.00 C ATOM 315 CG2 VAL A 21 -1.233 7.295 2.769 1.00 0.00 C ATOM 0 H VAL A 21 2.307 9.306 3.002 1.00 0.00 H new ATOM 0 HA VAL A 21 1.267 6.598 3.354 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.084 8.508 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.226 9.957 2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.533 10.220 2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.191 9.301 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.173 7.815 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.204 6.958 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.158 6.434 3.433 1.00 0.00 H new ATOM 325 N PRO A 22 1.435 5.865 0.964 1.00 0.00 N ATOM 326 CA PRO A 22 1.569 5.421 -0.401 1.00 0.00 C ATOM 327 C PRO A 22 0.307 5.694 -1.214 1.00 0.00 C ATOM 328 O PRO A 22 -0.818 5.581 -0.717 1.00 0.00 O ATOM 329 CB PRO A 22 1.823 3.918 -0.278 1.00 0.00 C ATOM 330 CG PRO A 22 1.191 3.534 1.015 1.00 0.00 C ATOM 331 CD PRO A 22 1.275 4.736 1.904 1.00 0.00 C ATOM 0 HA PRO A 22 2.368 5.946 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.382 3.372 -1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.890 3.695 -0.279 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.154 3.234 0.866 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.707 2.684 1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.377 4.847 2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.118 4.666 2.591 1.00 0.00 H new ATOM 339 N GLU A 23 0.506 6.068 -2.445 1.00 0.00 N ATOM 340 CA GLU A 23 -0.561 6.338 -3.361 1.00 0.00 C ATOM 341 C GLU A 23 -1.198 5.035 -3.786 1.00 0.00 C ATOM 342 O GLU A 23 -2.421 4.912 -3.870 1.00 0.00 O ATOM 343 CB GLU A 23 -0.009 7.097 -4.560 1.00 0.00 C ATOM 344 CG GLU A 23 0.531 8.477 -4.204 1.00 0.00 C ATOM 345 CD GLU A 23 -0.528 9.373 -3.594 1.00 0.00 C ATOM 346 OE1 GLU A 23 -0.834 9.233 -2.394 1.00 0.00 O ATOM 347 OE2 GLU A 23 -1.067 10.241 -4.301 1.00 0.00 O ATOM 0 H GLU A 23 1.435 6.196 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.324 6.952 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.787 6.510 -5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.796 7.204 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.360 8.370 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.930 8.950 -5.101 1.00 0.00 H new ATOM 354 N LYS A 24 -0.360 4.068 -4.010 1.00 0.00 N ATOM 355 CA LYS A 24 -0.761 2.736 -4.370 1.00 0.00 C ATOM 356 C LYS A 24 0.211 1.754 -3.765 1.00 0.00 C ATOM 357 O LYS A 24 1.400 2.081 -3.595 1.00 0.00 O ATOM 358 CB LYS A 24 -0.807 2.562 -5.894 1.00 0.00 C ATOM 359 CG LYS A 24 0.455 3.034 -6.605 1.00 0.00 C ATOM 360 CD LYS A 24 0.485 2.628 -8.067 1.00 0.00 C ATOM 361 CE LYS A 24 -0.696 3.178 -8.845 1.00 0.00 C ATOM 362 NZ LYS A 24 -0.639 2.777 -10.258 1.00 0.00 N ATOM 0 H LYS A 24 0.651 4.185 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.765 2.553 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.971 1.510 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.662 3.112 -6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.525 4.119 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.329 2.623 -6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.411 2.981 -8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.489 1.540 -8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.625 2.821 -8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.706 4.266 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.460 3.168 -10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.237 3.139 -10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.654 1.739 -10.325 1.00 0.00 H new ATOM 376 N VAL A 25 -0.281 0.596 -3.408 1.00 0.00 N ATOM 377 CA VAL A 25 0.537 -0.466 -2.865 1.00 0.00 C ATOM 378 C VAL A 25 0.316 -1.728 -3.669 1.00 0.00 C ATOM 379 O VAL A 25 -0.795 -1.969 -4.174 1.00 0.00 O ATOM 380 CB VAL A 25 0.241 -0.755 -1.355 1.00 0.00 C ATOM 381 CG1 VAL A 25 0.616 0.427 -0.495 1.00 0.00 C ATOM 382 CG2 VAL A 25 -1.224 -1.116 -1.128 1.00 0.00 C ATOM 0 H VAL A 25 -1.270 0.358 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 25 1.574 -0.138 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 25 0.852 -1.610 -1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.400 0.200 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.680 0.637 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.039 1.299 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.391 -1.310 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.857 -0.289 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.472 -2.008 -1.703 1.00 0.00 H new ATOM 392 N TRP A 26 1.348 -2.494 -3.831 1.00 0.00 N ATOM 393 CA TRP A 26 1.270 -3.738 -4.534 1.00 0.00 C ATOM 394 C TRP A 26 2.230 -4.717 -3.915 1.00 0.00 C ATOM 395 O TRP A 26 3.199 -4.320 -3.256 1.00 0.00 O ATOM 396 CB TRP A 26 1.532 -3.561 -6.052 1.00 0.00 C ATOM 397 CG TRP A 26 2.888 -3.008 -6.422 1.00 0.00 C ATOM 398 CD1 TRP A 26 3.962 -3.709 -6.876 1.00 0.00 C ATOM 399 CD2 TRP A 26 3.301 -1.637 -6.376 1.00 0.00 C ATOM 400 NE1 TRP A 26 5.009 -2.862 -7.126 1.00 0.00 N ATOM 401 CE2 TRP A 26 4.629 -1.585 -6.823 1.00 0.00 C ATOM 402 CE3 TRP A 26 2.675 -0.454 -6.002 1.00 0.00 C ATOM 403 CZ2 TRP A 26 5.335 -0.392 -6.903 1.00 0.00 C ATOM 404 CZ3 TRP A 26 3.374 0.721 -6.080 1.00 0.00 C ATOM 405 CH2 TRP A 26 4.685 0.751 -6.525 1.00 0.00 C ATOM 0 H TRP A 26 2.278 -2.273 -3.476 1.00 0.00 H new ATOM 0 HA TRP A 26 0.257 -4.129 -4.444 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.410 -4.529 -6.538 1.00 0.00 H new ATOM 0 HB3 TRP A 26 0.767 -2.900 -6.460 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.986 -4.779 -7.019 1.00 0.00 H new ATOM 0 HE1 TRP A 26 5.924 -3.140 -7.481 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.652 -0.461 -5.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 6.357 -0.367 -7.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.893 1.643 -5.789 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.205 1.696 -6.575 1.00 0.00 H new ATOM 416 N ALA A 27 1.962 -5.968 -4.086 1.00 0.00 N ATOM 417 CA ALA A 27 2.794 -6.987 -3.535 1.00 0.00 C ATOM 418 C ALA A 27 3.425 -7.806 -4.626 1.00 0.00 C ATOM 419 O ALA A 27 2.895 -7.900 -5.749 1.00 0.00 O ATOM 420 CB ALA A 27 1.991 -7.882 -2.613 1.00 0.00 C ATOM 0 H ALA A 27 1.160 -6.314 -4.612 1.00 0.00 H new ATOM 0 HA ALA A 27 3.586 -6.506 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.640 -8.655 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.573 -7.287 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.181 -8.349 -3.174 1.00 0.00 H new ATOM 426 N LEU A 28 4.553 -8.356 -4.321 1.00 0.00 N ATOM 427 CA LEU A 28 5.254 -9.263 -5.188 1.00 0.00 C ATOM 428 C LEU A 28 5.385 -10.543 -4.419 1.00 0.00 C ATOM 429 O LEU A 28 6.355 -10.743 -3.673 1.00 0.00 O ATOM 430 CB LEU A 28 6.667 -8.751 -5.598 1.00 0.00 C ATOM 431 CG LEU A 28 6.782 -7.490 -6.491 1.00 0.00 C ATOM 432 CD1 LEU A 28 6.283 -6.237 -5.788 1.00 0.00 C ATOM 433 CD2 LEU A 28 8.222 -7.297 -6.927 1.00 0.00 C ATOM 0 H LEU A 28 5.032 -8.186 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 28 4.700 -9.379 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.225 -8.557 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.175 -9.566 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 28 6.147 -7.649 -7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.384 -5.381 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.235 -6.364 -5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.872 -6.067 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.296 -6.409 -7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.855 -7.174 -6.048 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.551 -8.169 -7.492 1.00 0.00 H new ATOM 445 N ALA A 29 4.375 -11.366 -4.498 1.00 0.00 N ATOM 446 CA ALA A 29 4.359 -12.562 -3.715 1.00 0.00 C ATOM 447 C ALA A 29 4.006 -13.789 -4.521 1.00 0.00 C ATOM 448 O ALA A 29 2.829 -14.057 -4.779 1.00 0.00 O ATOM 449 CB ALA A 29 3.412 -12.423 -2.541 1.00 0.00 C ATOM 0 H ALA A 29 3.559 -11.228 -5.094 1.00 0.00 H new ATOM 0 HA ALA A 29 5.376 -12.701 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.416 -13.345 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.734 -11.594 -1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.404 -12.230 -2.908 1.00 0.00 H new ATOM 455 N PRO A 30 5.001 -14.511 -5.002 1.00 0.00 N ATOM 456 CA PRO A 30 4.779 -15.795 -5.607 1.00 0.00 C ATOM 457 C PRO A 30 4.695 -16.846 -4.495 1.00 0.00 C ATOM 458 O PRO A 30 5.500 -16.803 -3.536 1.00 0.00 O ATOM 459 CB PRO A 30 6.033 -16.017 -6.470 1.00 0.00 C ATOM 460 CG PRO A 30 6.866 -14.775 -6.313 1.00 0.00 C ATOM 461 CD PRO A 30 6.417 -14.134 -5.041 1.00 0.00 C ATOM 0 HA PRO A 30 3.863 -15.859 -6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.582 -16.900 -6.142 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.765 -16.178 -7.514 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.927 -15.020 -6.273 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.726 -14.102 -7.159 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.965 -14.511 -4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.552 -13.053 -5.058 1.00 0.00 H new ATOM 469 N LYS A 31 3.740 -17.758 -4.591 1.00 0.00 N ATOM 470 CA LYS A 31 3.543 -18.771 -3.553 1.00 0.00 C ATOM 471 C LYS A 31 4.767 -19.652 -3.381 1.00 0.00 C ATOM 472 O LYS A 31 5.158 -20.394 -4.298 1.00 0.00 O ATOM 473 CB LYS A 31 2.288 -19.641 -3.781 1.00 0.00 C ATOM 474 CG LYS A 31 0.950 -19.003 -3.383 1.00 0.00 C ATOM 475 CD LYS A 31 0.529 -17.852 -4.280 1.00 0.00 C ATOM 476 CE LYS A 31 -0.768 -17.238 -3.778 1.00 0.00 C ATOM 477 NZ LYS A 31 -1.287 -16.190 -4.683 1.00 0.00 N ATOM 0 H LYS A 31 3.088 -17.822 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 31 3.384 -18.211 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.241 -19.908 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.406 -20.569 -3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.174 -19.768 -3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.020 -18.644 -2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.313 -17.095 -4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.399 -18.207 -5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.518 -18.021 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.605 -16.811 -2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.172 -15.804 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.585 -15.428 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.470 -16.601 -5.621 1.00 0.00 H new ATOM 491 N GLY A 32 5.386 -19.533 -2.230 1.00 0.00 N ATOM 492 CA GLY A 32 6.549 -20.321 -1.905 1.00 0.00 C ATOM 493 C GLY A 32 7.834 -19.547 -2.098 1.00 0.00 C ATOM 494 O GLY A 32 8.920 -20.079 -1.896 1.00 0.00 O ATOM 0 H GLY A 32 5.097 -18.888 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.481 -20.657 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.567 -21.214 -2.530 1.00 0.00 H new ATOM 498 N ARG A 33 7.719 -18.294 -2.481 1.00 0.00 N ATOM 499 CA ARG A 33 8.890 -17.486 -2.747 1.00 0.00 C ATOM 500 C ARG A 33 9.035 -16.302 -1.812 1.00 0.00 C ATOM 501 O ARG A 33 9.896 -16.309 -0.920 1.00 0.00 O ATOM 502 CB ARG A 33 8.941 -17.053 -4.210 1.00 0.00 C ATOM 503 CG ARG A 33 9.313 -18.192 -5.156 1.00 0.00 C ATOM 504 CD ARG A 33 9.308 -17.761 -6.616 1.00 0.00 C ATOM 505 NE ARG A 33 10.175 -16.603 -6.862 1.00 0.00 N ATOM 506 CZ ARG A 33 10.197 -15.889 -7.997 1.00 0.00 C ATOM 507 NH1 ARG A 33 9.456 -16.252 -9.031 1.00 0.00 N ATOM 508 NH2 ARG A 33 10.974 -14.827 -8.091 1.00 0.00 N ATOM 0 H ARG A 33 6.829 -17.813 -2.615 1.00 0.00 H new ATOM 0 HA ARG A 33 9.749 -18.126 -2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.970 -16.651 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.665 -16.246 -4.319 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.302 -18.569 -4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.612 -19.016 -5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.634 -18.594 -7.239 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.289 -17.518 -6.917 1.00 0.00 H new ATOM 0 HE ARG A 33 10.808 -16.320 -6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.863 -17.080 -8.968 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.478 -15.704 -9.891 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.557 -14.550 -7.301 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.992 -14.283 -8.954 1.00 0.00 H new ATOM 522 N LYS A 34 8.212 -15.309 -1.989 1.00 0.00 N ATOM 523 CA LYS A 34 8.309 -14.079 -1.212 1.00 0.00 C ATOM 524 C LYS A 34 6.950 -13.541 -0.879 1.00 0.00 C ATOM 525 O LYS A 34 5.938 -14.078 -1.321 1.00 0.00 O ATOM 526 CB LYS A 34 9.117 -12.993 -1.962 1.00 0.00 C ATOM 527 CG LYS A 34 10.628 -13.200 -1.994 1.00 0.00 C ATOM 528 CD LYS A 34 11.225 -13.095 -0.605 1.00 0.00 C ATOM 529 CE LYS A 34 12.727 -13.286 -0.621 1.00 0.00 C ATOM 530 NZ LYS A 34 13.310 -13.169 0.729 1.00 0.00 N ATOM 0 H LYS A 34 7.453 -15.316 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 34 8.832 -14.331 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.754 -12.939 -2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.910 -12.028 -1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.855 -14.179 -2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.086 -12.457 -2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.987 -12.120 -0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.770 -13.844 0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.964 -14.266 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.181 -12.544 -1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.340 -13.306 0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.106 -12.225 1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.896 -13.894 1.350 1.00 0.00 H new ATOM 544 N GLY A 35 6.947 -12.498 -0.090 1.00 0.00 N ATOM 545 CA GLY A 35 5.757 -11.799 0.279 1.00 0.00 C ATOM 546 C GLY A 35 6.088 -10.345 0.461 1.00 0.00 C ATOM 547 O GLY A 35 5.633 -9.694 1.413 1.00 0.00 O ATOM 0 H GLY A 35 7.795 -12.107 0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.994 -11.919 -0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.347 -12.211 1.201 1.00 0.00 H new ATOM 551 N VAL A 36 6.893 -9.834 -0.451 1.00 0.00 N ATOM 552 CA VAL A 36 7.368 -8.479 -0.364 1.00 0.00 C ATOM 553 C VAL A 36 6.349 -7.516 -0.924 1.00 0.00 C ATOM 554 O VAL A 36 5.575 -7.852 -1.828 1.00 0.00 O ATOM 555 CB VAL A 36 8.760 -8.268 -1.019 1.00 0.00 C ATOM 556 CG1 VAL A 36 9.810 -9.111 -0.318 1.00 0.00 C ATOM 557 CG2 VAL A 36 8.732 -8.574 -2.508 1.00 0.00 C ATOM 0 H VAL A 36 7.230 -10.348 -1.265 1.00 0.00 H new ATOM 0 HA VAL A 36 7.503 -8.270 0.697 1.00 0.00 H new ATOM 0 HB VAL A 36 9.023 -7.216 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.779 -8.951 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.866 -8.824 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.540 -10.164 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.724 -8.415 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.435 -9.611 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.017 -7.915 -3.001 1.00 0.00 H new ATOM 567 N LYS A 37 6.352 -6.343 -0.389 1.00 0.00 N ATOM 568 CA LYS A 37 5.364 -5.346 -0.695 1.00 0.00 C ATOM 569 C LYS A 37 6.071 -4.081 -1.089 1.00 0.00 C ATOM 570 O LYS A 37 7.139 -3.805 -0.562 1.00 0.00 O ATOM 571 CB LYS A 37 4.537 -5.133 0.574 1.00 0.00 C ATOM 572 CG LYS A 37 3.857 -6.419 1.043 1.00 0.00 C ATOM 573 CD LYS A 37 3.222 -6.290 2.406 1.00 0.00 C ATOM 574 CE LYS A 37 2.521 -7.588 2.804 1.00 0.00 C ATOM 575 NZ LYS A 37 3.454 -8.743 2.937 1.00 0.00 N ATOM 0 H LYS A 37 7.052 -6.037 0.287 1.00 0.00 H new ATOM 0 HA LYS A 37 4.714 -5.649 -1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.182 -4.755 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.780 -4.371 0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.094 -6.704 0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.592 -7.224 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.984 -6.042 3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.504 -5.470 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.002 -7.438 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.762 -7.826 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.907 -9.621 3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.052 -8.806 2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.055 -8.609 3.775 1.00 0.00 H new ATOM 589 N ILE A 38 5.522 -3.339 -2.022 1.00 0.00 N ATOM 590 CA ILE A 38 6.110 -2.082 -2.458 1.00 0.00 C ATOM 591 C ILE A 38 5.001 -1.050 -2.582 1.00 0.00 C ATOM 592 O ILE A 38 3.867 -1.391 -2.935 1.00 0.00 O ATOM 593 CB ILE A 38 6.876 -2.210 -3.837 1.00 0.00 C ATOM 594 CG1 ILE A 38 7.955 -3.311 -3.780 1.00 0.00 C ATOM 595 CG2 ILE A 38 7.521 -0.880 -4.233 1.00 0.00 C ATOM 596 CD1 ILE A 38 8.712 -3.517 -5.081 1.00 0.00 C ATOM 0 H ILE A 38 4.657 -3.584 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 38 6.849 -1.780 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 38 6.137 -2.484 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.669 -3.063 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.482 -4.251 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.041 -0.997 -5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.749 -0.117 -4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.233 -0.578 -3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.450 -4.308 -4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.013 -3.799 -5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.217 -2.592 -5.358 1.00 0.00 H new ATOM 608 N GLY A 39 5.302 0.171 -2.245 1.00 0.00 N ATOM 609 CA GLY A 39 4.346 1.220 -2.355 1.00 0.00 C ATOM 610 C GLY A 39 4.943 2.399 -3.049 1.00 0.00 C ATOM 611 O GLY A 39 6.159 2.624 -2.964 1.00 0.00 O ATOM 0 H GLY A 39 6.213 0.460 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.474 0.869 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.000 1.511 -1.363 1.00 0.00 H new ATOM 615 N LEU A 40 4.128 3.124 -3.756 1.00 0.00 N ATOM 616 CA LEU A 40 4.564 4.307 -4.450 1.00 0.00 C ATOM 617 C LEU A 40 4.227 5.520 -3.617 1.00 0.00 C ATOM 618 O LEU A 40 3.068 5.738 -3.261 1.00 0.00 O ATOM 619 CB LEU A 40 3.929 4.398 -5.838 1.00 0.00 C ATOM 620 CG LEU A 40 4.242 5.659 -6.650 1.00 0.00 C ATOM 621 CD1 LEU A 40 5.714 5.747 -6.978 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.427 5.691 -7.913 1.00 0.00 C ATOM 0 H LEU A 40 3.137 2.913 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 40 5.643 4.260 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.248 3.531 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.847 4.325 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 40 3.977 6.522 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.905 6.652 -7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.292 5.777 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.009 4.876 -7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.663 6.594 -8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.659 4.815 -8.518 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.366 5.687 -7.662 1.00 0.00 H new ATOM 634 N PHE A 41 5.223 6.280 -3.307 1.00 0.00 N ATOM 635 CA PHE A 41 5.095 7.432 -2.456 1.00 0.00 C ATOM 636 C PHE A 41 5.477 8.671 -3.208 1.00 0.00 C ATOM 637 O PHE A 41 5.980 8.601 -4.325 1.00 0.00 O ATOM 638 CB PHE A 41 6.059 7.322 -1.273 1.00 0.00 C ATOM 639 CG PHE A 41 5.885 6.124 -0.403 1.00 0.00 C ATOM 640 CD1 PHE A 41 5.048 6.168 0.683 1.00 0.00 C ATOM 641 CD2 PHE A 41 6.579 4.956 -0.666 1.00 0.00 C ATOM 642 CE1 PHE A 41 4.898 5.074 1.494 1.00 0.00 C ATOM 643 CE2 PHE A 41 6.430 3.855 0.141 1.00 0.00 C ATOM 644 CZ PHE A 41 5.587 3.916 1.223 1.00 0.00 C ATOM 0 H PHE A 41 6.173 6.120 -3.642 1.00 0.00 H new ATOM 0 HA PHE A 41 4.061 7.481 -2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.079 7.323 -1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.951 8.214 -0.656 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.502 7.074 0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.245 4.910 -1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.238 5.122 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.973 2.946 -0.074 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.465 3.054 1.862 1.00 0.00 H new ATOM 654 N LYS A 42 5.271 9.782 -2.577 1.00 0.00 N ATOM 655 CA LYS A 42 5.707 11.054 -3.058 1.00 0.00 C ATOM 656 C LYS A 42 6.330 11.767 -1.891 1.00 0.00 C ATOM 657 O LYS A 42 5.705 11.861 -0.822 1.00 0.00 O ATOM 658 CB LYS A 42 4.546 11.896 -3.607 1.00 0.00 C ATOM 659 CG LYS A 42 4.984 13.291 -4.053 1.00 0.00 C ATOM 660 CD LYS A 42 3.815 14.154 -4.481 1.00 0.00 C ATOM 661 CE LYS A 42 4.277 15.559 -4.857 1.00 0.00 C ATOM 662 NZ LYS A 42 4.922 16.265 -3.717 1.00 0.00 N ATOM 0 H LYS A 42 4.779 9.831 -1.685 1.00 0.00 H new ATOM 0 HA LYS A 42 6.409 10.911 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.093 11.375 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.777 11.990 -2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.514 13.781 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.688 13.201 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.312 13.694 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.087 14.212 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.980 15.498 -5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.422 16.139 -5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.234 17.208 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.239 16.363 -2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.744 15.718 -3.390 1.00 0.00 H new ATOM 676 N ASP A 43 7.544 12.210 -2.053 1.00 0.00 N ATOM 677 CA ASP A 43 8.204 12.958 -1.007 1.00 0.00 C ATOM 678 C ASP A 43 7.692 14.393 -1.015 1.00 0.00 C ATOM 679 O ASP A 43 7.632 15.034 -2.069 1.00 0.00 O ATOM 680 CB ASP A 43 9.736 12.903 -1.128 1.00 0.00 C ATOM 681 CG ASP A 43 10.419 13.809 -0.116 1.00 0.00 C ATOM 682 OD1 ASP A 43 10.416 13.513 1.070 1.00 0.00 O ATOM 683 OD2 ASP A 43 10.969 14.841 -0.511 1.00 0.00 O ATOM 0 H ASP A 43 8.101 12.070 -2.896 1.00 0.00 H new ATOM 0 HA ASP A 43 7.963 12.497 -0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.075 11.877 -0.983 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.031 13.197 -2.135 1.00 0.00 H new ATOM 688 N PRO A 44 7.257 14.895 0.144 1.00 0.00 N ATOM 689 CA PRO A 44 6.688 16.239 0.270 1.00 0.00 C ATOM 690 C PRO A 44 7.720 17.376 0.156 1.00 0.00 C ATOM 691 O PRO A 44 7.353 18.540 -0.009 1.00 0.00 O ATOM 692 CB PRO A 44 6.067 16.227 1.672 1.00 0.00 C ATOM 693 CG PRO A 44 6.831 15.192 2.429 1.00 0.00 C ATOM 694 CD PRO A 44 7.244 14.162 1.432 1.00 0.00 C ATOM 0 HA PRO A 44 5.986 16.440 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.150 17.204 2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.006 15.981 1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.701 15.631 2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.215 14.750 3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.225 13.750 1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.545 13.326 1.409 1.00 0.00 H new ATOM 702 N GLU A 45 8.981 17.051 0.221 1.00 0.00 N ATOM 703 CA GLU A 45 10.023 18.057 0.194 1.00 0.00 C ATOM 704 C GLU A 45 10.613 18.225 -1.213 1.00 0.00 C ATOM 705 O GLU A 45 10.678 19.339 -1.755 1.00 0.00 O ATOM 706 CB GLU A 45 11.089 17.688 1.211 1.00 0.00 C ATOM 707 CG GLU A 45 12.275 18.616 1.279 1.00 0.00 C ATOM 708 CD GLU A 45 13.233 18.187 2.348 1.00 0.00 C ATOM 709 OE1 GLU A 45 13.810 17.089 2.238 1.00 0.00 O ATOM 710 OE2 GLU A 45 13.386 18.905 3.344 1.00 0.00 O ATOM 0 H GLU A 45 9.321 16.092 0.294 1.00 0.00 H new ATOM 0 HA GLU A 45 9.595 19.023 0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.626 17.647 2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.449 16.684 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.784 18.632 0.315 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.935 19.632 1.477 1.00 0.00 H new ATOM 717 N THR A 46 11.026 17.133 -1.792 1.00 0.00 N ATOM 718 CA THR A 46 11.627 17.136 -3.105 1.00 0.00 C ATOM 719 C THR A 46 10.548 17.142 -4.183 1.00 0.00 C ATOM 720 O THR A 46 10.704 17.769 -5.238 1.00 0.00 O ATOM 721 CB THR A 46 12.540 15.903 -3.282 1.00 0.00 C ATOM 722 OG1 THR A 46 11.784 14.711 -3.011 1.00 0.00 O ATOM 723 CG2 THR A 46 13.731 15.964 -2.331 1.00 0.00 C ATOM 0 H THR A 46 10.957 16.208 -1.368 1.00 0.00 H new ATOM 0 HA THR A 46 12.230 18.038 -3.205 1.00 0.00 H new ATOM 0 HB THR A 46 12.912 15.893 -4.307 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.766 14.547 -2.045 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.358 15.084 -2.476 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.314 16.862 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.374 15.989 -1.302 1.00 0.00 H new ATOM 731 N GLY A 47 9.453 16.459 -3.903 1.00 0.00 N ATOM 732 CA GLY A 47 8.364 16.394 -4.820 1.00 0.00 C ATOM 733 C GLY A 47 8.413 15.179 -5.707 1.00 0.00 C ATOM 734 O GLY A 47 7.557 15.008 -6.583 1.00 0.00 O ATOM 0 H GLY A 47 9.308 15.942 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.427 16.393 -4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.365 17.290 -5.440 1.00 0.00 H new ATOM 738 N LYS A 48 9.374 14.309 -5.475 1.00 0.00 N ATOM 739 CA LYS A 48 9.537 13.152 -6.330 1.00 0.00 C ATOM 740 C LYS A 48 8.702 11.978 -5.857 1.00 0.00 C ATOM 741 O LYS A 48 8.419 11.832 -4.663 1.00 0.00 O ATOM 742 CB LYS A 48 11.010 12.736 -6.454 1.00 0.00 C ATOM 743 CG LYS A 48 11.672 12.308 -5.145 1.00 0.00 C ATOM 744 CD LYS A 48 13.109 11.843 -5.360 1.00 0.00 C ATOM 745 CE LYS A 48 13.976 12.945 -5.947 1.00 0.00 C ATOM 746 NZ LYS A 48 15.363 12.502 -6.166 1.00 0.00 N ATOM 0 H LYS A 48 10.047 14.379 -4.711 1.00 0.00 H new ATOM 0 HA LYS A 48 9.181 13.448 -7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.081 11.913 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.573 13.570 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.661 13.142 -4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.094 11.503 -4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.531 11.515 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.116 10.981 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.548 13.277 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.972 13.804 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.918 13.285 -6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.781 12.210 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.371 11.698 -6.826 1.00 0.00 H new ATOM 760 N TYR A 49 8.297 11.170 -6.798 1.00 0.00 N ATOM 761 CA TYR A 49 7.584 9.947 -6.523 1.00 0.00 C ATOM 762 C TYR A 49 8.575 8.822 -6.486 1.00 0.00 C ATOM 763 O TYR A 49 9.470 8.757 -7.345 1.00 0.00 O ATOM 764 CB TYR A 49 6.544 9.651 -7.609 1.00 0.00 C ATOM 765 CG TYR A 49 5.316 10.527 -7.596 1.00 0.00 C ATOM 766 CD1 TYR A 49 5.370 11.847 -8.003 1.00 0.00 C ATOM 767 CD2 TYR A 49 4.089 10.015 -7.191 1.00 0.00 C ATOM 768 CE1 TYR A 49 4.248 12.633 -8.006 1.00 0.00 C ATOM 769 CE2 TYR A 49 2.954 10.797 -7.198 1.00 0.00 C ATOM 770 CZ TYR A 49 3.040 12.106 -7.606 1.00 0.00 C ATOM 771 OH TYR A 49 1.911 12.892 -7.630 1.00 0.00 O ATOM 0 H TYR A 49 8.454 11.342 -7.791 1.00 0.00 H new ATOM 0 HA TYR A 49 7.065 10.051 -5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.025 9.746 -8.582 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.228 8.613 -7.510 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.312 12.266 -8.324 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.024 8.987 -6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.311 13.664 -8.321 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.006 10.385 -6.886 1.00 0.00 H new ATOM 0 HH TYR A 49 1.142 12.370 -7.319 1.00 0.00 H new ATOM 781 N PHE A 50 8.452 7.952 -5.532 1.00 0.00 N ATOM 782 CA PHE A 50 9.360 6.845 -5.448 1.00 0.00 C ATOM 783 C PHE A 50 8.630 5.614 -4.962 1.00 0.00 C ATOM 784 O PHE A 50 7.750 5.706 -4.115 1.00 0.00 O ATOM 785 CB PHE A 50 10.552 7.184 -4.515 1.00 0.00 C ATOM 786 CG PHE A 50 10.201 7.392 -3.049 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.664 8.596 -2.595 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.418 6.378 -2.132 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.353 8.770 -1.254 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.110 6.547 -0.798 1.00 0.00 C ATOM 791 CZ PHE A 50 9.578 7.739 -0.358 1.00 0.00 C ATOM 0 H PHE A 50 7.738 7.984 -4.804 1.00 0.00 H new ATOM 0 HA PHE A 50 9.760 6.643 -6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.284 6.380 -4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.035 8.088 -4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.488 9.401 -3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.835 5.440 -2.466 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.937 9.706 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.286 5.744 -0.098 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.336 7.869 0.687 1.00 0.00 H new ATOM 801 N ARG A 51 8.947 4.490 -5.533 1.00 0.00 N ATOM 802 CA ARG A 51 8.409 3.250 -5.087 1.00 0.00 C ATOM 803 C ARG A 51 9.424 2.533 -4.221 1.00 0.00 C ATOM 804 O ARG A 51 10.536 2.221 -4.658 1.00 0.00 O ATOM 805 CB ARG A 51 7.897 2.404 -6.255 1.00 0.00 C ATOM 806 CG ARG A 51 8.833 2.275 -7.444 1.00 0.00 C ATOM 807 CD ARG A 51 8.174 1.489 -8.567 1.00 0.00 C ATOM 808 NE ARG A 51 8.971 1.501 -9.797 1.00 0.00 N ATOM 809 CZ ARG A 51 8.483 1.285 -11.029 1.00 0.00 C ATOM 810 NH1 ARG A 51 7.199 0.974 -11.201 1.00 0.00 N ATOM 811 NH2 ARG A 51 9.280 1.392 -12.078 1.00 0.00 N ATOM 0 H ARG A 51 9.588 4.412 -6.323 1.00 0.00 H new ATOM 0 HA ARG A 51 7.533 3.440 -4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.674 1.404 -5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.957 2.832 -6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.112 3.266 -7.802 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.753 1.777 -7.136 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.022 0.459 -8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.189 1.908 -8.771 1.00 0.00 H new ATOM 0 HE ARG A 51 9.970 1.687 -9.711 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.580 0.899 -10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.835 0.811 -12.140 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.262 1.638 -11.950 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.913 1.229 -13.016 1.00 0.00 H new ATOM 825 N HIS A 52 9.047 2.288 -3.010 1.00 0.00 N ATOM 826 CA HIS A 52 9.943 1.739 -2.018 1.00 0.00 C ATOM 827 C HIS A 52 9.275 0.532 -1.429 1.00 0.00 C ATOM 828 O HIS A 52 8.043 0.524 -1.291 1.00 0.00 O ATOM 829 CB HIS A 52 10.188 2.793 -0.920 1.00 0.00 C ATOM 830 CG HIS A 52 11.261 2.466 0.096 1.00 0.00 C ATOM 831 ND1 HIS A 52 11.056 1.653 1.191 1.00 0.00 N ATOM 832 CD2 HIS A 52 12.533 2.911 0.207 1.00 0.00 C ATOM 833 CE1 HIS A 52 12.143 1.621 1.924 1.00 0.00 C ATOM 834 NE2 HIS A 52 13.053 2.370 1.352 1.00 0.00 N ATOM 0 H HIS A 52 8.102 2.461 -2.667 1.00 0.00 H new ATOM 0 HA HIS A 52 10.901 1.465 -2.460 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.449 3.735 -1.402 1.00 0.00 H new ATOM 0 HB3 HIS A 52 9.251 2.956 -0.388 1.00 0.00 H new ATOM 0 HD1 HIS A 52 10.191 1.153 1.399 1.00 0.00 H new ATOM 0 HD2 HIS A 52 13.043 3.570 -0.480 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.267 1.070 2.844 1.00 0.00 H new ATOM 843 N LYS A 53 10.044 -0.487 -1.103 1.00 0.00 N ATOM 844 CA LYS A 53 9.472 -1.668 -0.532 1.00 0.00 C ATOM 845 C LYS A 53 8.953 -1.360 0.866 1.00 0.00 C ATOM 846 O LYS A 53 9.547 -0.553 1.607 1.00 0.00 O ATOM 847 CB LYS A 53 10.445 -2.900 -0.601 1.00 0.00 C ATOM 848 CG LYS A 53 11.691 -2.884 0.310 1.00 0.00 C ATOM 849 CD LYS A 53 11.396 -3.376 1.740 1.00 0.00 C ATOM 850 CE LYS A 53 11.026 -4.875 1.777 1.00 0.00 C ATOM 851 NZ LYS A 53 10.644 -5.315 3.138 1.00 0.00 N ATOM 0 H LYS A 53 11.056 -0.513 -1.226 1.00 0.00 H new ATOM 0 HA LYS A 53 8.616 -1.976 -1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.869 -3.795 -0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.785 -3.001 -1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.466 -3.511 -0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.089 -1.870 0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.269 -3.204 2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.579 -2.791 2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.201 -5.063 1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.872 -5.467 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.501 -6.345 3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.400 -5.067 3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.762 -4.842 3.421 1.00 0.00 H new ATOM 865 N LEU A 54 7.848 -1.928 1.189 1.00 0.00 N ATOM 866 CA LEU A 54 7.196 -1.704 2.448 1.00 0.00 C ATOM 867 C LEU A 54 7.651 -2.797 3.397 1.00 0.00 C ATOM 868 O LEU A 54 8.342 -3.737 2.972 1.00 0.00 O ATOM 869 CB LEU A 54 5.673 -1.815 2.273 1.00 0.00 C ATOM 870 CG LEU A 54 5.047 -1.061 1.106 1.00 0.00 C ATOM 871 CD1 LEU A 54 3.570 -1.379 1.004 1.00 0.00 C ATOM 872 CD2 LEU A 54 5.236 0.418 1.283 1.00 0.00 C ATOM 0 H LEU A 54 7.353 -2.578 0.578 1.00 0.00 H new ATOM 0 HA LEU A 54 7.443 -0.713 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.422 -2.870 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.202 -1.466 3.192 1.00 0.00 H new ATOM 0 HG LEU A 54 5.541 -1.376 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.137 -0.833 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.438 -2.449 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.070 -1.084 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.784 0.946 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.760 0.737 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.301 0.646 1.325 1.00 0.00 H new ATOM 884 N PRO A 55 7.306 -2.716 4.678 1.00 0.00 N ATOM 885 CA PRO A 55 7.606 -3.769 5.603 1.00 0.00 C ATOM 886 C PRO A 55 6.787 -4.993 5.220 1.00 0.00 C ATOM 887 O PRO A 55 5.624 -4.868 4.820 1.00 0.00 O ATOM 888 CB PRO A 55 7.167 -3.200 6.971 1.00 0.00 C ATOM 889 CG PRO A 55 7.060 -1.732 6.735 1.00 0.00 C ATOM 890 CD PRO A 55 6.588 -1.620 5.328 1.00 0.00 C ATOM 0 HA PRO A 55 8.653 -4.072 5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.215 -3.623 7.292 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.895 -3.427 7.750 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.359 -1.268 7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.021 -1.236 6.873 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.507 -1.737 5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.836 -0.653 4.890 1.00 0.00 H new ATOM 898 N ASP A 56 7.380 -6.154 5.318 1.00 0.00 N ATOM 899 CA ASP A 56 6.713 -7.411 4.960 1.00 0.00 C ATOM 900 C ASP A 56 5.525 -7.637 5.869 1.00 0.00 C ATOM 901 O ASP A 56 4.540 -8.269 5.490 1.00 0.00 O ATOM 902 CB ASP A 56 7.669 -8.596 5.112 1.00 0.00 C ATOM 903 CG ASP A 56 8.814 -8.644 4.121 1.00 0.00 C ATOM 904 OD1 ASP A 56 9.373 -7.589 3.755 1.00 0.00 O ATOM 905 OD2 ASP A 56 9.216 -9.762 3.736 1.00 0.00 O ATOM 0 H ASP A 56 8.339 -6.271 5.646 1.00 0.00 H new ATOM 0 HA ASP A 56 6.390 -7.337 3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.085 -8.578 6.120 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.094 -9.518 5.021 1.00 0.00 H new ATOM 910 N ASP A 57 5.628 -7.068 7.050 1.00 0.00 N ATOM 911 CA ASP A 57 4.642 -7.192 8.114 1.00 0.00 C ATOM 912 C ASP A 57 3.565 -6.131 8.009 1.00 0.00 C ATOM 913 O ASP A 57 2.661 -6.082 8.833 1.00 0.00 O ATOM 914 CB ASP A 57 5.325 -7.053 9.477 1.00 0.00 C ATOM 915 CG ASP A 57 6.370 -8.101 9.738 1.00 0.00 C ATOM 916 OD1 ASP A 57 7.537 -7.928 9.314 1.00 0.00 O ATOM 917 OD2 ASP A 57 6.056 -9.115 10.382 1.00 0.00 O ATOM 0 H ASP A 57 6.424 -6.486 7.310 1.00 0.00 H new ATOM 0 HA ASP A 57 4.179 -8.174 8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.786 -6.068 9.544 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.568 -7.104 10.260 1.00 0.00 H new ATOM 922 N TYR A 58 3.658 -5.288 7.019 1.00 0.00 N ATOM 923 CA TYR A 58 2.711 -4.215 6.852 1.00 0.00 C ATOM 924 C TYR A 58 1.435 -4.753 6.193 1.00 0.00 C ATOM 925 O TYR A 58 1.502 -5.438 5.156 1.00 0.00 O ATOM 926 CB TYR A 58 3.362 -3.114 6.021 1.00 0.00 C ATOM 927 CG TYR A 58 2.541 -1.864 5.802 1.00 0.00 C ATOM 928 CD1 TYR A 58 2.219 -1.023 6.859 1.00 0.00 C ATOM 929 CD2 TYR A 58 2.106 -1.515 4.538 1.00 0.00 C ATOM 930 CE1 TYR A 58 1.481 0.127 6.653 1.00 0.00 C ATOM 931 CE2 TYR A 58 1.374 -0.367 4.326 1.00 0.00 C ATOM 932 CZ TYR A 58 1.068 0.445 5.386 1.00 0.00 C ATOM 933 OH TYR A 58 0.349 1.579 5.181 1.00 0.00 O ATOM 0 H TYR A 58 4.388 -5.322 6.307 1.00 0.00 H new ATOM 0 HA TYR A 58 2.428 -3.795 7.817 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.297 -2.829 6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.620 -3.529 5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.550 -1.271 7.857 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.344 -2.154 3.700 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.232 0.770 7.484 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.044 -0.109 3.331 1.00 0.00 H new ATOM 0 HH TYR A 58 0.946 2.295 4.880 1.00 0.00 H new ATOM 943 N PRO A 59 0.263 -4.515 6.799 1.00 0.00 N ATOM 944 CA PRO A 59 -0.990 -4.985 6.259 1.00 0.00 C ATOM 945 C PRO A 59 -1.472 -4.144 5.089 1.00 0.00 C ATOM 946 O PRO A 59 -1.864 -2.985 5.253 1.00 0.00 O ATOM 947 CB PRO A 59 -1.978 -4.890 7.434 1.00 0.00 C ATOM 948 CG PRO A 59 -1.173 -4.441 8.615 1.00 0.00 C ATOM 949 CD PRO A 59 0.056 -3.784 8.064 1.00 0.00 C ATOM 0 HA PRO A 59 -0.892 -5.996 5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.778 -4.182 7.215 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.449 -5.854 7.627 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.742 -3.745 9.231 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.910 -5.287 9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.093 -2.717 7.897 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.908 -3.886 8.737 1.00 0.00 H new ATOM 957 N ILE A 60 -1.391 -4.703 3.909 1.00 0.00 N ATOM 958 CA ILE A 60 -1.906 -4.069 2.731 1.00 0.00 C ATOM 959 C ILE A 60 -3.137 -4.821 2.269 1.00 0.00 C ATOM 960 O ILE A 60 -4.237 -4.294 2.422 1.00 0.00 O ATOM 961 CB ILE A 60 -0.871 -3.903 1.573 1.00 0.00 C ATOM 962 CG1 ILE A 60 -0.231 -5.236 1.162 1.00 0.00 C ATOM 963 CG2 ILE A 60 0.193 -2.898 1.959 1.00 0.00 C ATOM 964 CD1 ILE A 60 0.652 -5.136 -0.067 1.00 0.00 C ATOM 965 OXT ILE A 60 -3.023 -6.006 1.881 1.00 0.00 O ATOM 0 H ILE A 60 -0.964 -5.614 3.741 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.163 -3.046 3.007 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.416 -3.533 0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.362 -5.616 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.020 -5.964 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.907 -2.793 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.273 -1.933 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.712 -3.243 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.069 -6.117 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.060 -4.787 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.463 -4.433 0.124 1.00 0.00 H new