USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.302) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 33 GLN : amide:sc= -0.0362 X(o=-0.036,f=-0.34) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 2:sc= 0.488 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0301) USER MOD Single : A 50 MET CE :methyl 175:sc= -0.421 (180deg=-0.502) USER MOD Single : A 53 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.01) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 150:sc= -0.909 USER MOD Single : A 70 ASN : amide:sc= -0.786 X(o=-0.79,f=-1) USER MOD ----------------------------------------------------------------- ATOM 94 N LYS A 10 0.254 12.808 8.495 1.00 0.00 N ATOM 95 CA LYS A 10 0.819 12.698 7.156 1.00 0.00 C ATOM 96 C LYS A 10 1.819 11.549 7.079 1.00 0.00 C ATOM 97 O LYS A 10 1.543 10.511 6.477 1.00 0.00 O ATOM 98 CB LYS A 10 1.501 14.009 6.759 1.00 0.00 C ATOM 99 CG LYS A 10 0.611 15.230 6.915 1.00 0.00 C ATOM 100 CD LYS A 10 -0.607 15.152 6.011 1.00 0.00 C ATOM 101 CE LYS A 10 -1.711 16.087 6.481 1.00 0.00 C ATOM 102 NZ LYS A 10 -2.570 16.541 5.352 1.00 0.00 N ATOM 0 HA LYS A 10 0.004 12.494 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.396 14.142 7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.828 13.939 5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.290 15.317 7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.181 16.129 6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.321 15.409 4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.980 14.128 5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.326 15.579 7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.269 16.954 6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.114 17.378 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.972 16.784 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.225 15.778 5.086 1.00 0.00 H new ATOM 116 N LYS A 11 2.981 11.740 7.694 1.00 0.00 N ATOM 117 CA LYS A 11 4.022 10.719 7.699 1.00 0.00 C ATOM 118 C LYS A 11 3.498 9.411 8.285 1.00 0.00 C ATOM 119 O LYS A 11 2.588 9.395 9.114 1.00 0.00 O ATOM 120 CB LYS A 11 5.234 11.200 8.499 1.00 0.00 C ATOM 121 CG LYS A 11 6.011 12.311 7.816 1.00 0.00 C ATOM 122 CD LYS A 11 7.217 12.735 8.638 1.00 0.00 C ATOM 123 CE LYS A 11 7.951 13.900 7.991 1.00 0.00 C ATOM 124 NZ LYS A 11 9.250 14.179 8.664 1.00 0.00 N ATOM 0 H LYS A 11 3.226 12.593 8.196 1.00 0.00 H new ATOM 0 HA LYS A 11 4.325 10.539 6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.899 11.550 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.901 10.356 8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.340 11.975 6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.358 13.169 7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.894 13.018 9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.898 11.891 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.127 13.679 6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.324 14.791 8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.720 14.979 8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.080 14.415 9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.859 13.338 8.606 1.00 0.00 H new ATOM 138 N PRO A 12 4.087 8.288 7.848 1.00 0.00 N ATOM 139 CA PRO A 12 3.697 6.956 8.318 1.00 0.00 C ATOM 140 C PRO A 12 4.094 6.714 9.770 1.00 0.00 C ATOM 141 O PRO A 12 5.272 6.587 10.104 1.00 0.00 O ATOM 142 CB PRO A 12 4.467 6.013 7.390 1.00 0.00 C ATOM 143 CG PRO A 12 5.644 6.805 6.936 1.00 0.00 C ATOM 144 CD PRO A 12 5.178 8.233 6.861 1.00 0.00 C ATOM 0 HA PRO A 12 2.616 6.815 8.291 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.777 5.108 7.913 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.852 5.699 6.547 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.476 6.702 7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.997 6.458 5.965 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.979 8.930 7.108 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.829 8.490 5.861 1.00 0.00 H new ATOM 152 N PRO A 13 3.089 6.649 10.656 1.00 0.00 N ATOM 153 CA PRO A 13 3.309 6.421 12.088 1.00 0.00 C ATOM 154 C PRO A 13 3.791 5.005 12.382 1.00 0.00 C ATOM 155 O PRO A 13 4.131 4.253 11.470 1.00 0.00 O ATOM 156 CB PRO A 13 1.926 6.654 12.701 1.00 0.00 C ATOM 157 CG PRO A 13 0.969 6.368 11.595 1.00 0.00 C ATOM 158 CD PRO A 13 1.661 6.792 10.329 1.00 0.00 C ATOM 0 HA PRO A 13 4.084 7.074 12.490 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.755 5.996 13.553 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.820 7.677 13.062 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.713 5.309 11.564 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.037 6.917 11.733 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.377 6.162 9.486 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.411 7.818 10.059 1.00 0.00 H new ATOM 166 N ASN A 14 3.818 4.648 13.662 1.00 0.00 N ATOM 167 CA ASN A 14 4.259 3.321 14.076 1.00 0.00 C ATOM 168 C ASN A 14 3.306 2.246 13.561 1.00 0.00 C ATOM 169 O ASN A 14 2.244 2.016 14.139 1.00 0.00 O ATOM 170 CB ASN A 14 4.354 3.245 15.601 1.00 0.00 C ATOM 171 CG ASN A 14 4.750 1.865 16.088 1.00 0.00 C ATOM 172 OD1 ASN A 14 5.829 1.367 15.767 1.00 0.00 O ATOM 173 ND2 ASN A 14 3.875 1.239 16.867 1.00 0.00 N ATOM 0 H ASN A 14 3.540 5.259 14.430 1.00 0.00 H new ATOM 0 HA ASN A 14 5.245 3.143 13.648 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.083 3.975 15.954 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.393 3.519 16.036 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.086 0.307 17.225 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.992 1.690 17.108 1.00 0.00 H new ATOM 180 N ARG A 15 3.695 1.591 12.473 1.00 0.00 N ATOM 181 CA ARG A 15 2.876 0.540 11.879 1.00 0.00 C ATOM 182 C ARG A 15 3.727 -0.674 11.518 1.00 0.00 C ATOM 183 O ARG A 15 4.411 -0.701 10.495 1.00 0.00 O ATOM 184 CB ARG A 15 2.162 1.065 10.633 1.00 0.00 C ATOM 185 CG ARG A 15 0.824 0.393 10.370 1.00 0.00 C ATOM 186 CD ARG A 15 0.000 1.170 9.355 1.00 0.00 C ATOM 187 NE ARG A 15 -0.660 2.326 9.955 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.715 2.235 10.757 1.00 0.00 C ATOM 189 NH1 ARG A 15 -2.226 1.048 11.054 1.00 0.00 N ATOM 190 NH2 ARG A 15 -2.260 3.333 11.265 1.00 0.00 N ATOM 0 H ARG A 15 4.572 1.769 11.984 1.00 0.00 H new ATOM 0 HA ARG A 15 2.132 0.234 12.614 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.005 2.138 10.739 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.808 0.921 9.767 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.990 -0.621 10.006 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.268 0.309 11.304 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.646 1.503 8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.750 0.512 8.917 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.291 3.254 9.747 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.809 0.202 10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.036 0.981 11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.869 4.248 11.040 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.070 3.262 11.881 1.00 0.00 H new ATOM 204 N PRO A 16 3.686 -1.702 12.378 1.00 0.00 N ATOM 205 CA PRO A 16 4.447 -2.938 12.171 1.00 0.00 C ATOM 206 C PRO A 16 3.908 -3.763 11.007 1.00 0.00 C ATOM 207 O PRO A 16 3.176 -4.731 11.206 1.00 0.00 O ATOM 208 CB PRO A 16 4.264 -3.693 13.490 1.00 0.00 C ATOM 209 CG PRO A 16 2.982 -3.177 14.047 1.00 0.00 C ATOM 210 CD PRO A 16 2.893 -1.738 13.618 1.00 0.00 C ATOM 0 HA PRO A 16 5.488 -2.737 11.919 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.220 -4.770 13.327 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.095 -3.507 14.171 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.134 -3.750 13.670 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.966 -3.262 15.134 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.861 -1.434 13.444 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.300 -1.067 14.375 1.00 0.00 H new ATOM 218 N GLY A 17 4.276 -3.372 9.790 1.00 0.00 N ATOM 219 CA GLY A 17 3.820 -4.086 8.612 1.00 0.00 C ATOM 220 C GLY A 17 3.709 -3.188 7.397 1.00 0.00 C ATOM 221 O GLY A 17 4.480 -3.321 6.446 1.00 0.00 O ATOM 0 H GLY A 17 4.882 -2.574 9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.510 -4.901 8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.849 -4.536 8.817 1.00 0.00 H new ATOM 225 N ILE A 18 2.747 -2.272 7.426 1.00 0.00 N ATOM 226 CA ILE A 18 2.537 -1.349 6.317 1.00 0.00 C ATOM 227 C ILE A 18 3.510 -0.177 6.387 1.00 0.00 C ATOM 228 O ILE A 18 3.840 0.308 7.469 1.00 0.00 O ATOM 229 CB ILE A 18 1.096 -0.806 6.302 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.099 -1.935 6.572 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.797 -0.135 4.969 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.337 -1.466 6.654 1.00 0.00 C ATOM 0 H ILE A 18 2.101 -2.149 8.205 1.00 0.00 H new ATOM 0 HA ILE A 18 2.714 -1.911 5.400 1.00 0.00 H new ATOM 0 HB ILE A 18 0.995 -0.062 7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.185 -2.681 5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.366 -2.428 7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.225 0.244 4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.490 0.692 4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.912 -0.860 4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.988 -2.319 6.847 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.438 -0.742 7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.622 -0.999 5.711 1.00 0.00 H new ATOM 244 N THR A 19 3.966 0.277 5.223 1.00 0.00 N ATOM 245 CA THR A 19 4.900 1.393 5.151 1.00 0.00 C ATOM 246 C THR A 19 4.635 2.253 3.920 1.00 0.00 C ATOM 247 O THR A 19 4.931 1.852 2.795 1.00 0.00 O ATOM 248 CB THR A 19 6.360 0.902 5.115 1.00 0.00 C ATOM 249 OG1 THR A 19 6.675 0.215 6.331 1.00 0.00 O ATOM 250 CG2 THR A 19 7.318 2.067 4.922 1.00 0.00 C ATOM 0 H THR A 19 3.703 -0.112 4.317 1.00 0.00 H new ATOM 0 HA THR A 19 4.747 1.991 6.049 1.00 0.00 H new ATOM 0 HB THR A 19 6.470 0.219 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.604 -0.096 6.300 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.343 1.696 4.900 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.094 2.570 3.981 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.205 2.771 5.746 1.00 0.00 H new ATOM 258 N PHE A 20 4.076 3.438 4.142 1.00 0.00 N ATOM 259 CA PHE A 20 3.771 4.355 3.050 1.00 0.00 C ATOM 260 C PHE A 20 5.051 4.882 2.409 1.00 0.00 C ATOM 261 O PHE A 20 5.727 5.745 2.968 1.00 0.00 O ATOM 262 CB PHE A 20 2.924 5.523 3.559 1.00 0.00 C ATOM 263 CG PHE A 20 1.870 5.113 4.548 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.095 3.986 4.327 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.654 5.855 5.698 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.125 3.607 5.235 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.685 5.481 6.609 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.080 4.355 6.378 1.00 0.00 C ATOM 0 H PHE A 20 3.825 3.786 5.068 1.00 0.00 H new ATOM 0 HA PHE A 20 3.207 3.807 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.579 6.261 4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.444 6.011 2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.251 3.397 3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.250 6.736 5.884 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.473 2.726 5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.526 6.069 7.501 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.837 4.060 7.089 1.00 0.00 H new ATOM 278 N GLU A 21 5.377 4.356 1.232 1.00 0.00 N ATOM 279 CA GLU A 21 6.577 4.772 0.516 1.00 0.00 C ATOM 280 C GLU A 21 6.352 4.729 -0.993 1.00 0.00 C ATOM 281 O GLU A 21 5.289 4.319 -1.461 1.00 0.00 O ATOM 282 CB GLU A 21 7.759 3.877 0.892 1.00 0.00 C ATOM 283 CG GLU A 21 8.552 4.384 2.084 1.00 0.00 C ATOM 284 CD GLU A 21 9.931 3.760 2.176 1.00 0.00 C ATOM 285 OE1 GLU A 21 10.055 2.551 1.887 1.00 0.00 O ATOM 286 OE2 GLU A 21 10.886 4.479 2.537 1.00 0.00 O ATOM 0 H GLU A 21 4.827 3.642 0.755 1.00 0.00 H new ATOM 0 HA GLU A 21 6.803 5.799 0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.390 2.875 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.425 3.790 0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.651 5.467 2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.000 4.172 3.000 1.00 0.00 H new ATOM 293 N ILE A 22 7.358 5.157 -1.748 1.00 0.00 N ATOM 294 CA ILE A 22 7.271 5.167 -3.203 1.00 0.00 C ATOM 295 C ILE A 22 7.648 3.809 -3.785 1.00 0.00 C ATOM 296 O ILE A 22 8.807 3.400 -3.734 1.00 0.00 O ATOM 297 CB ILE A 22 8.183 6.246 -3.814 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.708 7.641 -3.401 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.213 6.118 -5.330 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.237 7.879 -3.661 1.00 0.00 C ATOM 0 H ILE A 22 8.243 5.502 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 22 6.235 5.393 -3.456 1.00 0.00 H new ATOM 0 HB ILE A 22 9.195 6.101 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.909 7.785 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.290 8.389 -3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.862 6.888 -5.747 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.594 5.134 -5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.205 6.240 -5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.970 8.887 -3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.033 7.767 -4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.647 7.154 -3.100 1.00 0.00 H new ATOM 312 N GLY A 23 6.659 3.115 -4.342 1.00 0.00 N ATOM 313 CA GLY A 23 6.908 1.811 -4.928 1.00 0.00 C ATOM 314 C GLY A 23 6.578 0.676 -3.979 1.00 0.00 C ATOM 315 O GLY A 23 6.600 -0.492 -4.366 1.00 0.00 O ATOM 0 H GLY A 23 5.691 3.433 -4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.315 1.705 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.955 1.742 -5.222 1.00 0.00 H new ATOM 319 N ALA A 24 6.272 1.019 -2.732 1.00 0.00 N ATOM 320 CA ALA A 24 5.937 0.020 -1.725 1.00 0.00 C ATOM 321 C ALA A 24 4.724 -0.802 -2.150 1.00 0.00 C ATOM 322 O ALA A 24 3.731 -0.257 -2.632 1.00 0.00 O ATOM 323 CB ALA A 24 5.679 0.689 -0.383 1.00 0.00 C ATOM 0 H ALA A 24 6.249 1.981 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 24 6.785 -0.657 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.430 -0.069 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.573 1.227 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.849 1.389 -0.479 1.00 0.00 H new ATOM 329 N ARG A 25 4.812 -2.115 -1.969 1.00 0.00 N ATOM 330 CA ARG A 25 3.723 -3.012 -2.335 1.00 0.00 C ATOM 331 C ARG A 25 2.875 -3.364 -1.117 1.00 0.00 C ATOM 332 O ARG A 25 3.354 -3.998 -0.175 1.00 0.00 O ATOM 333 CB ARG A 25 4.277 -4.289 -2.970 1.00 0.00 C ATOM 334 CG ARG A 25 5.160 -4.034 -4.181 1.00 0.00 C ATOM 335 CD ARG A 25 5.885 -5.297 -4.617 1.00 0.00 C ATOM 336 NE ARG A 25 6.670 -5.086 -5.831 1.00 0.00 N ATOM 337 CZ ARG A 25 6.137 -4.988 -7.043 1.00 0.00 C ATOM 338 NH1 ARG A 25 4.824 -5.081 -7.203 1.00 0.00 N ATOM 339 NH2 ARG A 25 6.917 -4.796 -8.099 1.00 0.00 N ATOM 0 H ARG A 25 5.627 -2.582 -1.571 1.00 0.00 H new ATOM 0 HA ARG A 25 3.091 -2.498 -3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.850 -4.837 -2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.445 -4.928 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.551 -3.660 -5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.888 -3.258 -3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.542 -5.633 -3.815 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.158 -6.091 -4.789 1.00 0.00 H new ATOM 0 HE ARG A 25 7.683 -5.010 -5.743 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.221 -5.228 -6.394 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.417 -5.005 -8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.927 -4.724 -7.980 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.506 -4.721 -9.030 1.00 0.00 H new ATOM 353 N LEU A 26 1.613 -2.948 -1.141 1.00 0.00 N ATOM 354 CA LEU A 26 0.698 -3.218 -0.038 1.00 0.00 C ATOM 355 C LEU A 26 -0.696 -3.555 -0.557 1.00 0.00 C ATOM 356 O LEU A 26 -0.961 -3.463 -1.755 1.00 0.00 O ATOM 357 CB LEU A 26 0.627 -2.012 0.900 1.00 0.00 C ATOM 358 CG LEU A 26 0.285 -0.672 0.246 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.451 -0.176 -0.596 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.971 -0.799 -0.603 1.00 0.00 C ATOM 0 H LEU A 26 1.201 -2.423 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 26 1.078 -4.078 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.117 -2.219 1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.588 -1.912 1.405 1.00 0.00 H new ATOM 0 HG LEU A 26 0.096 0.057 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.190 0.778 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.328 -0.046 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.672 -0.904 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.200 0.163 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.809 -1.543 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.806 -1.109 0.026 1.00 0.00 H new ATOM 372 N GLU A 27 -1.584 -3.944 0.353 1.00 0.00 N ATOM 373 CA GLU A 27 -2.951 -4.294 -0.015 1.00 0.00 C ATOM 374 C GLU A 27 -3.892 -3.113 0.206 1.00 0.00 C ATOM 375 O GLU A 27 -3.653 -2.267 1.067 1.00 0.00 O ATOM 376 CB GLU A 27 -3.429 -5.499 0.798 1.00 0.00 C ATOM 377 CG GLU A 27 -2.780 -6.809 0.382 1.00 0.00 C ATOM 378 CD GLU A 27 -3.265 -7.987 1.204 1.00 0.00 C ATOM 379 OE1 GLU A 27 -3.145 -7.932 2.446 1.00 0.00 O ATOM 380 OE2 GLU A 27 -3.764 -8.963 0.607 1.00 0.00 O ATOM 0 H GLU A 27 -1.381 -4.025 1.349 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.961 -4.552 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.223 -5.320 1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.510 -5.590 0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.989 -6.995 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.698 -6.722 0.482 1.00 0.00 H new ATOM 387 N ALA A 28 -4.962 -3.062 -0.581 1.00 0.00 N ATOM 388 CA ALA A 28 -5.940 -1.987 -0.471 1.00 0.00 C ATOM 389 C ALA A 28 -7.361 -2.539 -0.430 1.00 0.00 C ATOM 390 O ALA A 28 -7.683 -3.506 -1.121 1.00 0.00 O ATOM 391 CB ALA A 28 -5.784 -1.012 -1.629 1.00 0.00 C ATOM 0 H ALA A 28 -5.173 -3.753 -1.301 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.757 -1.457 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.521 -0.214 -1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.782 -0.584 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.938 -1.538 -2.571 1.00 0.00 H new ATOM 397 N LEU A 29 -8.208 -1.919 0.385 1.00 0.00 N ATOM 398 CA LEU A 29 -9.595 -2.349 0.518 1.00 0.00 C ATOM 399 C LEU A 29 -10.469 -1.708 -0.556 1.00 0.00 C ATOM 400 O LEU A 29 -10.618 -0.487 -0.601 1.00 0.00 O ATOM 401 CB LEU A 29 -10.130 -1.993 1.906 1.00 0.00 C ATOM 402 CG LEU A 29 -11.451 -2.652 2.306 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.231 -4.112 2.671 1.00 0.00 C ATOM 404 CD2 LEU A 29 -12.092 -1.901 3.464 1.00 0.00 C ATOM 0 H LEU A 29 -7.958 -1.117 0.963 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.628 -3.431 0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.375 -2.262 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.256 -0.912 1.958 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.128 -2.611 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.182 -4.564 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.817 -4.643 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.536 -4.177 3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.031 -2.384 3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.418 -1.910 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.287 -0.871 3.166 1.00 0.00 H new ATOM 416 N ASP A 30 -11.045 -2.540 -1.417 1.00 0.00 N ATOM 417 CA ASP A 30 -11.908 -2.055 -2.488 1.00 0.00 C ATOM 418 C ASP A 30 -13.307 -1.748 -1.963 1.00 0.00 C ATOM 419 O ASP A 30 -13.685 -2.192 -0.879 1.00 0.00 O ATOM 420 CB ASP A 30 -11.986 -3.086 -3.615 1.00 0.00 C ATOM 421 CG ASP A 30 -10.622 -3.435 -4.177 1.00 0.00 C ATOM 422 OD1 ASP A 30 -9.872 -4.171 -3.501 1.00 0.00 O ATOM 423 OD2 ASP A 30 -10.304 -2.973 -5.292 1.00 0.00 O ATOM 0 H ASP A 30 -10.930 -3.553 -1.394 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.477 -1.133 -2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.465 -3.992 -3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.617 -2.698 -4.415 1.00 0.00 H new ATOM 428 N TYR A 31 -14.071 -0.988 -2.739 1.00 0.00 N ATOM 429 CA TYR A 31 -15.427 -0.619 -2.351 1.00 0.00 C ATOM 430 C TYR A 31 -16.239 -1.853 -1.971 1.00 0.00 C ATOM 431 O TYR A 31 -17.273 -1.751 -1.309 1.00 0.00 O ATOM 432 CB TYR A 31 -16.120 0.130 -3.491 1.00 0.00 C ATOM 433 CG TYR A 31 -16.573 -0.769 -4.619 1.00 0.00 C ATOM 434 CD1 TYR A 31 -15.679 -1.620 -5.257 1.00 0.00 C ATOM 435 CD2 TYR A 31 -17.895 -0.767 -5.048 1.00 0.00 C ATOM 436 CE1 TYR A 31 -16.088 -2.443 -6.289 1.00 0.00 C ATOM 437 CE2 TYR A 31 -18.313 -1.587 -6.077 1.00 0.00 C ATOM 438 CZ TYR A 31 -17.406 -2.423 -6.695 1.00 0.00 C ATOM 439 OH TYR A 31 -17.819 -3.241 -7.722 1.00 0.00 O ATOM 0 H TYR A 31 -13.774 -0.615 -3.641 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.364 0.035 -1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -16.984 0.662 -3.093 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.438 0.882 -3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.646 -1.639 -4.941 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -18.608 -0.113 -4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -15.380 -3.098 -6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -19.345 -1.574 -6.397 1.00 0.00 H new ATOM 0 HH TYR A 31 -18.776 -3.106 -7.883 1.00 0.00 H new ATOM 449 N LEU A 32 -15.764 -3.019 -2.394 1.00 0.00 N ATOM 450 CA LEU A 32 -16.444 -4.275 -2.097 1.00 0.00 C ATOM 451 C LEU A 32 -15.759 -5.008 -0.948 1.00 0.00 C ATOM 452 O LEU A 32 -15.884 -6.225 -0.813 1.00 0.00 O ATOM 453 CB LEU A 32 -16.474 -5.167 -3.340 1.00 0.00 C ATOM 454 CG LEU A 32 -17.392 -4.708 -4.473 1.00 0.00 C ATOM 455 CD1 LEU A 32 -17.047 -5.432 -5.766 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.851 -4.938 -4.104 1.00 0.00 C ATOM 0 H LEU A 32 -14.911 -3.121 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.466 -4.044 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.459 -5.246 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.778 -6.169 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.241 -3.640 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.711 -5.093 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.014 -5.217 -6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.169 -6.506 -5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -19.490 -4.605 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -19.017 -6.000 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -19.092 -4.374 -3.203 1.00 0.00 H new ATOM 468 N GLN A 33 -15.036 -4.258 -0.123 1.00 0.00 N ATOM 469 CA GLN A 33 -14.332 -4.837 1.016 1.00 0.00 C ATOM 470 C GLN A 33 -13.430 -5.984 0.572 1.00 0.00 C ATOM 471 O GLN A 33 -13.164 -6.911 1.338 1.00 0.00 O ATOM 472 CB GLN A 33 -15.332 -5.334 2.061 1.00 0.00 C ATOM 473 CG GLN A 33 -16.184 -4.228 2.662 1.00 0.00 C ATOM 474 CD GLN A 33 -16.667 -4.558 4.061 1.00 0.00 C ATOM 475 OE1 GLN A 33 -15.890 -4.990 4.913 1.00 0.00 O ATOM 476 NE2 GLN A 33 -17.956 -4.356 4.305 1.00 0.00 N ATOM 0 H GLN A 33 -14.922 -3.249 -0.221 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.709 -4.060 1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -15.985 -6.076 1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -14.789 -5.838 2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.606 -3.304 2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.045 -4.047 2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.564 -3.996 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.338 -4.560 5.228 1.00 0.00 H new ATOM 485 N LYS A 34 -12.961 -5.915 -0.669 1.00 0.00 N ATOM 486 CA LYS A 34 -12.088 -6.947 -1.216 1.00 0.00 C ATOM 487 C LYS A 34 -10.621 -6.562 -1.050 1.00 0.00 C ATOM 488 O LYS A 34 -10.215 -5.459 -1.415 1.00 0.00 O ATOM 489 CB LYS A 34 -12.401 -7.178 -2.696 1.00 0.00 C ATOM 490 CG LYS A 34 -13.880 -7.376 -2.981 1.00 0.00 C ATOM 491 CD LYS A 34 -14.344 -8.766 -2.577 1.00 0.00 C ATOM 492 CE LYS A 34 -15.586 -9.184 -3.348 1.00 0.00 C ATOM 493 NZ LYS A 34 -16.162 -10.454 -2.825 1.00 0.00 N ATOM 0 H LYS A 34 -13.171 -5.155 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.269 -7.870 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.039 -6.327 -3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.852 -8.054 -3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.459 -6.627 -2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.071 -7.222 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.544 -9.484 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.555 -8.784 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.334 -8.394 -3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.336 -9.306 -4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.007 -10.705 -3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.457 -11.214 -2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.425 -10.331 -1.826 1.00 0.00 H new ATOM 507 N TRP A 35 -9.832 -7.478 -0.500 1.00 0.00 N ATOM 508 CA TRP A 35 -8.410 -7.234 -0.288 1.00 0.00 C ATOM 509 C TRP A 35 -7.595 -7.678 -1.498 1.00 0.00 C ATOM 510 O TRP A 35 -7.717 -8.814 -1.956 1.00 0.00 O ATOM 511 CB TRP A 35 -7.927 -7.967 0.965 1.00 0.00 C ATOM 512 CG TRP A 35 -8.616 -7.518 2.218 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.530 -8.222 2.948 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.447 -6.263 2.886 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.939 -7.481 4.030 1.00 0.00 N ATOM 516 CE2 TRP A 35 -9.289 -6.275 4.015 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.665 -5.131 2.642 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -9.370 -5.199 4.895 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.747 -4.063 3.515 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.593 -4.104 4.631 1.00 0.00 C ATOM 0 H TRP A 35 -10.153 -8.396 -0.193 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.267 -6.162 -0.151 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.086 -9.037 0.835 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.853 -7.815 1.075 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.880 -9.216 2.710 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.617 -7.780 4.731 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.008 -5.091 1.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -10.023 -5.228 5.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.149 -3.182 3.334 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.633 -3.254 5.296 1.00 0.00 H new ATOM 531 N TYR A 36 -6.765 -6.776 -2.010 1.00 0.00 N ATOM 532 CA TYR A 36 -5.932 -7.075 -3.168 1.00 0.00 C ATOM 533 C TYR A 36 -4.607 -6.323 -3.095 1.00 0.00 C ATOM 534 O TYR A 36 -4.491 -5.279 -2.452 1.00 0.00 O ATOM 535 CB TYR A 36 -6.667 -6.712 -4.459 1.00 0.00 C ATOM 536 CG TYR A 36 -7.820 -7.636 -4.780 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.595 -8.946 -5.184 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.135 -7.198 -4.679 1.00 0.00 C ATOM 539 CE1 TYR A 36 -8.646 -9.793 -5.479 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.192 -8.039 -4.970 1.00 0.00 C ATOM 541 CZ TYR A 36 -9.942 -9.335 -5.370 1.00 0.00 C ATOM 542 OH TYR A 36 -10.991 -10.176 -5.662 1.00 0.00 O ATOM 0 H TYR A 36 -6.651 -5.832 -1.641 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.722 -8.145 -3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.042 -5.692 -4.379 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -5.958 -6.728 -5.287 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.581 -9.309 -5.269 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.334 -6.183 -4.368 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.453 -10.808 -5.793 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.208 -7.683 -4.885 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.838 -9.699 -5.534 1.00 0.00 H new ATOM 552 N PRO A 37 -3.582 -6.863 -3.771 1.00 0.00 N ATOM 553 CA PRO A 37 -2.247 -6.260 -3.800 1.00 0.00 C ATOM 554 C PRO A 37 -2.215 -4.960 -4.598 1.00 0.00 C ATOM 555 O PRO A 37 -2.940 -4.806 -5.581 1.00 0.00 O ATOM 556 CB PRO A 37 -1.390 -7.328 -4.484 1.00 0.00 C ATOM 557 CG PRO A 37 -2.349 -8.108 -5.315 1.00 0.00 C ATOM 558 CD PRO A 37 -3.649 -8.105 -4.560 1.00 0.00 C ATOM 0 HA PRO A 37 -1.900 -5.990 -2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.610 -6.877 -5.098 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.892 -7.964 -3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.469 -7.657 -6.300 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.991 -9.126 -5.472 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.505 -8.107 -5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.745 -8.983 -3.921 1.00 0.00 H new ATOM 566 N SER A 38 -1.370 -4.028 -4.168 1.00 0.00 N ATOM 567 CA SER A 38 -1.247 -2.740 -4.841 1.00 0.00 C ATOM 568 C SER A 38 0.121 -2.118 -4.576 1.00 0.00 C ATOM 569 O SER A 38 0.911 -2.641 -3.789 1.00 0.00 O ATOM 570 CB SER A 38 -2.351 -1.790 -4.374 1.00 0.00 C ATOM 571 OG SER A 38 -3.629 -2.263 -4.763 1.00 0.00 O ATOM 0 H SER A 38 -0.761 -4.141 -3.357 1.00 0.00 H new ATOM 0 HA SER A 38 -1.350 -2.906 -5.913 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.312 -1.688 -3.290 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.183 -0.798 -4.794 1.00 0.00 H new ATOM 0 HG SER A 38 -3.534 -3.124 -5.221 1.00 0.00 H new ATOM 577 N ARG A 39 0.393 -0.999 -5.239 1.00 0.00 N ATOM 578 CA ARG A 39 1.665 -0.306 -5.077 1.00 0.00 C ATOM 579 C ARG A 39 1.451 1.199 -4.941 1.00 0.00 C ATOM 580 O ARG A 39 0.378 1.714 -5.257 1.00 0.00 O ATOM 581 CB ARG A 39 2.584 -0.596 -6.265 1.00 0.00 C ATOM 582 CG ARG A 39 3.480 -1.806 -6.061 1.00 0.00 C ATOM 583 CD ARG A 39 4.500 -1.940 -7.181 1.00 0.00 C ATOM 584 NE ARG A 39 5.270 -0.713 -7.370 1.00 0.00 N ATOM 585 CZ ARG A 39 5.885 -0.398 -8.504 1.00 0.00 C ATOM 586 NH1 ARG A 39 5.821 -1.216 -9.546 1.00 0.00 N ATOM 587 NH2 ARG A 39 6.567 0.737 -8.598 1.00 0.00 N ATOM 0 H ARG A 39 -0.250 -0.553 -5.893 1.00 0.00 H new ATOM 0 HA ARG A 39 2.136 -0.673 -4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.975 -0.752 -7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.206 0.279 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.997 -1.720 -5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.870 -2.708 -6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.179 -2.763 -6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.988 -2.193 -8.109 1.00 0.00 H new ATOM 0 HE ARG A 39 5.339 -0.062 -6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.299 -2.089 -9.477 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.294 -0.972 -10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.619 1.368 -7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.039 0.978 -9.470 1.00 0.00 H new ATOM 601 N ILE A 40 2.478 1.898 -4.470 1.00 0.00 N ATOM 602 CA ILE A 40 2.402 3.343 -4.294 1.00 0.00 C ATOM 603 C ILE A 40 3.178 4.072 -5.385 1.00 0.00 C ATOM 604 O ILE A 40 4.408 4.096 -5.374 1.00 0.00 O ATOM 605 CB ILE A 40 2.946 3.772 -2.919 1.00 0.00 C ATOM 606 CG1 ILE A 40 1.950 3.410 -1.815 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.239 5.265 -2.907 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.558 3.402 -0.430 1.00 0.00 C ATOM 0 H ILE A 40 3.373 1.487 -4.203 1.00 0.00 H new ATOM 0 HA ILE A 40 1.348 3.613 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 40 3.877 3.237 -2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.123 4.120 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.530 2.426 -2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.623 5.553 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.982 5.496 -3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.322 5.817 -3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.794 3.137 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.366 2.671 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.953 4.392 -0.200 1.00 0.00 H new ATOM 620 N GLU A 41 2.450 4.666 -6.326 1.00 0.00 N ATOM 621 CA GLU A 41 3.071 5.396 -7.424 1.00 0.00 C ATOM 622 C GLU A 41 3.634 6.730 -6.941 1.00 0.00 C ATOM 623 O GLU A 41 4.764 7.095 -7.268 1.00 0.00 O ATOM 624 CB GLU A 41 2.057 5.635 -8.545 1.00 0.00 C ATOM 625 CG GLU A 41 1.791 4.405 -9.396 1.00 0.00 C ATOM 626 CD GLU A 41 1.399 4.754 -10.819 1.00 0.00 C ATOM 627 OE1 GLU A 41 0.628 5.719 -11.002 1.00 0.00 O ATOM 628 OE2 GLU A 41 1.863 4.062 -11.749 1.00 0.00 O ATOM 0 H GLU A 41 1.430 4.656 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 41 3.893 4.792 -7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.118 5.974 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.419 6.439 -9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.683 3.779 -9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.996 3.816 -8.938 1.00 0.00 H new ATOM 635 N LYS A 42 2.839 7.453 -6.160 1.00 0.00 N ATOM 636 CA LYS A 42 3.256 8.746 -5.630 1.00 0.00 C ATOM 637 C LYS A 42 2.692 8.968 -4.230 1.00 0.00 C ATOM 638 O LYS A 42 1.796 8.246 -3.791 1.00 0.00 O ATOM 639 CB LYS A 42 2.800 9.873 -6.560 1.00 0.00 C ATOM 640 CG LYS A 42 3.469 9.844 -7.923 1.00 0.00 C ATOM 641 CD LYS A 42 2.587 10.471 -8.990 1.00 0.00 C ATOM 642 CE LYS A 42 3.279 10.492 -10.344 1.00 0.00 C ATOM 643 NZ LYS A 42 3.223 9.165 -11.016 1.00 0.00 N ATOM 0 H LYS A 42 1.901 7.165 -5.880 1.00 0.00 H new ATOM 0 HA LYS A 42 4.344 8.752 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.720 9.809 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.006 10.832 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.418 10.377 -7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.696 8.813 -8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.654 9.913 -9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.327 11.488 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.809 11.242 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.319 10.790 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.705 9.221 -11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.694 8.454 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.230 8.891 -11.162 1.00 0.00 H new ATOM 657 N ILE A 43 3.220 9.970 -3.537 1.00 0.00 N ATOM 658 CA ILE A 43 2.766 10.288 -2.188 1.00 0.00 C ATOM 659 C ILE A 43 2.740 11.795 -1.958 1.00 0.00 C ATOM 660 O ILE A 43 3.785 12.434 -1.844 1.00 0.00 O ATOM 661 CB ILE A 43 3.665 9.633 -1.123 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.666 8.112 -1.290 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.199 10.018 0.273 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.690 7.409 -0.426 1.00 0.00 C ATOM 0 H ILE A 43 3.962 10.576 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 43 1.755 9.891 -2.093 1.00 0.00 H new ATOM 0 HB ILE A 43 4.684 9.995 -1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.675 7.728 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.857 7.870 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.844 9.547 1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.246 11.101 0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.173 9.682 0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.633 6.334 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.688 7.765 -0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.487 7.621 0.624 1.00 0.00 H new ATOM 676 N ASP A 44 1.537 12.356 -1.888 1.00 0.00 N ATOM 677 CA ASP A 44 1.374 13.788 -1.668 1.00 0.00 C ATOM 678 C ASP A 44 1.303 14.104 -0.177 1.00 0.00 C ATOM 679 O ASP A 44 0.345 13.732 0.502 1.00 0.00 O ATOM 680 CB ASP A 44 0.112 14.293 -2.370 1.00 0.00 C ATOM 681 CG ASP A 44 0.382 14.747 -3.791 1.00 0.00 C ATOM 682 OD1 ASP A 44 1.551 15.057 -4.103 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.576 14.793 -4.591 1.00 0.00 O ATOM 0 H ASP A 44 0.661 11.841 -1.980 1.00 0.00 H new ATOM 0 HA ASP A 44 2.242 14.296 -2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.636 13.500 -2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.310 15.121 -1.801 1.00 0.00 H new ATOM 688 N TYR A 45 2.321 14.792 0.326 1.00 0.00 N ATOM 689 CA TYR A 45 2.376 15.155 1.737 1.00 0.00 C ATOM 690 C TYR A 45 1.749 16.526 1.971 1.00 0.00 C ATOM 691 O TYR A 45 1.336 16.848 3.085 1.00 0.00 O ATOM 692 CB TYR A 45 3.825 15.154 2.229 1.00 0.00 C ATOM 693 CG TYR A 45 4.496 13.802 2.133 1.00 0.00 C ATOM 694 CD1 TYR A 45 4.726 13.205 0.899 1.00 0.00 C ATOM 695 CD2 TYR A 45 4.901 13.123 3.275 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.338 11.971 0.807 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.516 11.889 3.192 1.00 0.00 C ATOM 698 CZ TYR A 45 5.731 11.316 1.955 1.00 0.00 C ATOM 699 OH TYR A 45 6.343 10.087 1.867 1.00 0.00 O ATOM 0 H TYR A 45 3.120 15.110 -0.223 1.00 0.00 H new ATOM 0 HA TYR A 45 1.807 14.414 2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.398 15.877 1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.848 15.489 3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.421 13.715 -0.003 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.732 13.568 4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.508 11.521 -0.160 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.827 11.376 4.090 1.00 0.00 H new ATOM 0 HH TYR A 45 6.557 9.763 2.767 1.00 0.00 H new ATOM 709 N GLU A 46 1.680 17.327 0.913 1.00 0.00 N ATOM 710 CA GLU A 46 1.103 18.663 1.003 1.00 0.00 C ATOM 711 C GLU A 46 -0.412 18.591 1.174 1.00 0.00 C ATOM 712 O GLU A 46 -1.027 19.499 1.731 1.00 0.00 O ATOM 713 CB GLU A 46 1.448 19.477 -0.245 1.00 0.00 C ATOM 714 CG GLU A 46 1.011 20.930 -0.164 1.00 0.00 C ATOM 715 CD GLU A 46 1.767 21.709 0.895 1.00 0.00 C ATOM 716 OE1 GLU A 46 2.985 21.920 0.721 1.00 0.00 O ATOM 717 OE2 GLU A 46 1.139 22.106 1.899 1.00 0.00 O ATOM 0 H GLU A 46 2.016 17.074 -0.016 1.00 0.00 H new ATOM 0 HA GLU A 46 1.527 19.156 1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.525 19.439 -0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.979 19.013 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.159 21.405 -1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.057 20.973 0.052 1.00 0.00 H new ATOM 724 N GLU A 47 -1.005 17.504 0.690 1.00 0.00 N ATOM 725 CA GLU A 47 -2.448 17.314 0.788 1.00 0.00 C ATOM 726 C GLU A 47 -2.785 16.223 1.800 1.00 0.00 C ATOM 727 O GLU A 47 -3.729 16.354 2.578 1.00 0.00 O ATOM 728 CB GLU A 47 -3.031 16.954 -0.580 1.00 0.00 C ATOM 729 CG GLU A 47 -3.274 18.158 -1.474 1.00 0.00 C ATOM 730 CD GLU A 47 -3.947 19.303 -0.741 1.00 0.00 C ATOM 731 OE1 GLU A 47 -5.189 19.274 -0.609 1.00 0.00 O ATOM 732 OE2 GLU A 47 -3.233 20.227 -0.300 1.00 0.00 O ATOM 0 H GLU A 47 -0.509 16.742 0.227 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.890 18.250 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.352 16.268 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.972 16.423 -0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.323 18.501 -1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.893 17.859 -2.320 1.00 0.00 H new ATOM 739 N GLY A 48 -2.006 15.146 1.783 1.00 0.00 N ATOM 740 CA GLY A 48 -2.238 14.048 2.703 1.00 0.00 C ATOM 741 C GLY A 48 -2.766 12.810 2.006 1.00 0.00 C ATOM 742 O GLY A 48 -3.374 11.944 2.636 1.00 0.00 O ATOM 0 H GLY A 48 -1.218 15.014 1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.307 13.804 3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.949 14.362 3.467 1.00 0.00 H new ATOM 746 N LYS A 49 -2.535 12.724 0.700 1.00 0.00 N ATOM 747 CA LYS A 49 -2.992 11.583 -0.085 1.00 0.00 C ATOM 748 C LYS A 49 -1.838 10.964 -0.867 1.00 0.00 C ATOM 749 O LYS A 49 -0.842 11.629 -1.153 1.00 0.00 O ATOM 750 CB LYS A 49 -4.102 12.012 -1.047 1.00 0.00 C ATOM 751 CG LYS A 49 -3.720 13.185 -1.933 1.00 0.00 C ATOM 752 CD LYS A 49 -4.589 13.251 -3.178 1.00 0.00 C ATOM 753 CE LYS A 49 -3.987 14.169 -4.230 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.448 15.576 -4.067 1.00 0.00 N ATOM 0 H LYS A 49 -2.034 13.431 0.163 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.385 10.834 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.373 11.165 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.989 12.277 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.818 14.114 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.673 13.097 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.709 12.250 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.584 13.606 -2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.900 14.133 -4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.258 13.811 -5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.892 16.198 -4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.454 15.643 -4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.320 15.871 -3.078 1.00 0.00 H new ATOM 768 N MET A 50 -1.979 9.688 -1.211 1.00 0.00 N ATOM 769 CA MET A 50 -0.949 8.981 -1.962 1.00 0.00 C ATOM 770 C MET A 50 -1.552 8.253 -3.159 1.00 0.00 C ATOM 771 O MET A 50 -2.661 7.721 -3.081 1.00 0.00 O ATOM 772 CB MET A 50 -0.221 7.984 -1.058 1.00 0.00 C ATOM 773 CG MET A 50 -1.105 7.392 0.028 1.00 0.00 C ATOM 774 SD MET A 50 -0.381 5.927 0.790 1.00 0.00 S ATOM 775 CE MET A 50 -1.709 4.744 0.576 1.00 0.00 C ATOM 0 H MET A 50 -2.797 9.123 -0.981 1.00 0.00 H new ATOM 0 HA MET A 50 -0.233 9.717 -2.329 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.179 7.176 -1.670 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.629 8.482 -0.592 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.285 8.145 0.795 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.074 7.134 -0.398 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.380 3.762 0.917 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.575 5.060 1.158 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.981 4.689 -0.478 1.00 0.00 H new ATOM 785 N LEU A 51 -0.817 8.233 -4.266 1.00 0.00 N ATOM 786 CA LEU A 51 -1.280 7.570 -5.480 1.00 0.00 C ATOM 787 C LEU A 51 -0.970 6.077 -5.437 1.00 0.00 C ATOM 788 O LEU A 51 0.174 5.663 -5.626 1.00 0.00 O ATOM 789 CB LEU A 51 -0.627 8.202 -6.710 1.00 0.00 C ATOM 790 CG LEU A 51 -1.447 8.161 -8.001 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.627 8.683 -9.170 1.00 0.00 C ATOM 792 CD2 LEU A 51 -1.934 6.746 -8.278 1.00 0.00 C ATOM 0 H LEU A 51 0.102 8.668 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.361 7.697 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.399 9.243 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.323 7.700 -6.891 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.317 8.806 -7.878 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.226 8.646 -10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.328 9.713 -8.974 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.262 8.065 -9.296 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.515 6.735 -9.200 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.077 6.080 -8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.559 6.408 -7.451 1.00 0.00 H new ATOM 804 N VAL A 52 -1.999 5.271 -5.189 1.00 0.00 N ATOM 805 CA VAL A 52 -1.838 3.824 -5.125 1.00 0.00 C ATOM 806 C VAL A 52 -2.507 3.143 -6.313 1.00 0.00 C ATOM 807 O VAL A 52 -3.655 3.440 -6.647 1.00 0.00 O ATOM 808 CB VAL A 52 -2.425 3.251 -3.821 1.00 0.00 C ATOM 809 CG1 VAL A 52 -3.900 3.603 -3.700 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.221 1.745 -3.762 1.00 0.00 C ATOM 0 H VAL A 52 -2.952 5.597 -5.029 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.767 3.624 -5.151 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.899 3.699 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.298 3.190 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.016 4.687 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.445 3.185 -4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.642 1.357 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.720 1.277 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.155 1.521 -3.799 1.00 0.00 H new ATOM 820 N HIS A 53 -1.783 2.227 -6.949 1.00 0.00 N ATOM 821 CA HIS A 53 -2.307 1.502 -8.101 1.00 0.00 C ATOM 822 C HIS A 53 -2.653 0.064 -7.727 1.00 0.00 C ATOM 823 O HIS A 53 -1.919 -0.588 -6.983 1.00 0.00 O ATOM 824 CB HIS A 53 -1.292 1.515 -9.244 1.00 0.00 C ATOM 825 CG HIS A 53 -1.379 0.315 -10.136 1.00 0.00 C ATOM 826 ND1 HIS A 53 -2.139 0.286 -11.286 1.00 0.00 N ATOM 827 CD2 HIS A 53 -0.795 -0.903 -10.042 1.00 0.00 C ATOM 828 CE1 HIS A 53 -2.020 -0.898 -11.860 1.00 0.00 C ATOM 829 NE2 HIS A 53 -1.209 -1.638 -11.125 1.00 0.00 N ATOM 0 H HIS A 53 -0.832 1.969 -6.686 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.218 2.002 -8.430 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.442 2.414 -9.842 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.287 1.575 -8.826 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.128 -1.235 -9.260 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.503 -1.208 -12.775 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.935 -2.599 -11.329 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.410 5.080 -8.397 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.321 5.938 -7.649 1.00 0.00 C ATOM 1007 C GLU A 63 -5.694 6.379 -6.329 1.00 0.00 C ATOM 1008 O GLU A 63 -5.180 5.557 -5.569 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.640 5.209 -7.381 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.556 5.942 -6.415 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.519 5.012 -5.704 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -9.049 4.036 -5.082 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -10.741 5.258 -5.770 1.00 0.00 O ATOM 0 HA GLU A 63 -6.520 6.825 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.164 5.064 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.423 4.218 -6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.952 6.468 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.122 6.698 -6.960 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.740 7.679 -6.064 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.175 8.229 -4.837 1.00 0.00 C ATOM 1022 C TRP A 64 -5.997 7.809 -3.624 1.00 0.00 C ATOM 1023 O TRP A 64 -7.221 7.948 -3.613 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.111 9.755 -4.921 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.161 10.253 -5.968 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.383 10.312 -7.314 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.839 10.760 -5.755 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.279 10.825 -7.951 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.318 11.109 -7.016 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.046 10.956 -4.621 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -1.041 11.640 -7.173 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.778 11.483 -4.778 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.286 11.821 -6.046 1.00 0.00 C ATOM 0 H TRP A 64 -6.162 8.372 -6.682 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.165 7.835 -4.722 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.108 10.142 -5.131 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.813 10.153 -3.951 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.293 10.001 -7.806 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.189 10.971 -8.957 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.417 10.700 -3.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.660 11.900 -8.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.156 11.637 -3.909 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.709 12.232 -6.136 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.318 7.295 -2.604 1.00 0.00 N ATOM 1045 CA ILE A 65 -5.987 6.855 -1.386 1.00 0.00 C ATOM 1046 C ILE A 65 -5.307 7.431 -0.148 1.00 0.00 C ATOM 1047 O ILE A 65 -4.169 7.082 0.167 1.00 0.00 O ATOM 1048 CB ILE A 65 -6.009 5.319 -1.278 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.707 4.711 -2.496 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.701 4.888 0.006 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.782 3.201 -2.458 1.00 0.00 C ATOM 0 H ILE A 65 -4.305 7.173 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.012 7.221 -1.439 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.981 4.956 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.717 5.115 -2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.178 5.018 -3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.708 3.800 0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.165 5.296 0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.726 5.259 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.289 2.839 -3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.774 2.787 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.337 2.886 -1.574 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.013 8.312 0.552 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.478 8.937 1.756 1.00 0.00 C ATOM 1065 C TYR A 66 -4.681 7.932 2.583 1.00 0.00 C ATOM 1066 O TYR A 66 -5.207 6.901 3.002 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.612 9.523 2.599 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.257 10.743 1.981 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.484 11.750 1.415 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.638 10.890 1.964 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -7.069 12.867 0.850 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.231 12.002 1.401 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.443 12.988 0.845 1.00 0.00 C ATOM 1074 OH TYR A 66 -9.030 14.099 0.284 1.00 0.00 O ATOM 0 H TYR A 66 -6.957 8.610 0.306 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.809 9.741 1.451 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.373 8.758 2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.224 9.787 3.583 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.408 11.658 1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.259 10.121 2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.454 13.641 0.415 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.307 12.100 1.396 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.004 14.029 0.362 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.411 8.242 2.814 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.540 7.367 3.592 1.00 0.00 C ATOM 1086 C TRP A 67 -3.054 7.217 5.019 1.00 0.00 C ATOM 1087 O TRP A 67 -2.540 6.408 5.792 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.112 7.915 3.605 1.00 0.00 C ATOM 1089 CG TRP A 67 -1.044 9.389 3.867 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -2.088 10.217 4.165 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.129 10.209 3.850 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.634 11.503 4.336 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.278 11.524 4.149 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.484 9.960 3.615 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.622 12.584 4.216 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.376 11.014 3.681 1.00 0.00 C ATOM 1097 CH2 TRP A 67 1.943 12.312 3.981 1.00 0.00 C ATOM 0 H TRP A 67 -2.961 9.092 2.474 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.539 6.384 3.121 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.536 7.391 4.368 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.640 7.701 2.646 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.119 9.907 4.253 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.213 12.311 4.565 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.828 8.962 3.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.290 13.586 4.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.425 10.834 3.498 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.665 13.114 4.028 1.00 0.00 H new ATOM 1108 N ASP A 68 -4.070 8.001 5.363 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.654 7.954 6.699 1.00 0.00 C ATOM 1110 C ASP A 68 -6.070 7.390 6.653 1.00 0.00 C ATOM 1111 O ASP A 68 -6.868 7.612 7.564 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.668 9.351 7.321 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.390 9.383 8.654 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -4.785 8.971 9.667 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.559 9.821 8.685 1.00 0.00 O ATOM 0 H ASP A 68 -4.506 8.677 4.736 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.040 7.296 7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.643 9.695 7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.149 10.047 6.634 1.00 0.00 H new ATOM 1120 N SER A 69 -6.377 6.660 5.585 1.00 0.00 N ATOM 1121 CA SER A 69 -7.699 6.067 5.418 1.00 0.00 C ATOM 1122 C SER A 69 -7.876 4.865 6.340 1.00 0.00 C ATOM 1123 O SER A 69 -8.968 4.614 6.847 1.00 0.00 O ATOM 1124 CB SER A 69 -7.911 5.644 3.963 1.00 0.00 C ATOM 1125 OG SER A 69 -9.282 5.702 3.609 1.00 0.00 O ATOM 0 H SER A 69 -5.728 6.465 4.823 1.00 0.00 H new ATOM 0 HA SER A 69 -8.443 6.818 5.683 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.335 6.294 3.305 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.537 4.630 3.818 1.00 0.00 H new ATOM 0 HG SER A 69 -9.365 5.906 2.654 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.793 4.125 6.552 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.827 2.948 7.412 1.00 0.00 C ATOM 1133 C ASN A 70 -7.548 1.792 6.724 1.00 0.00 C ATOM 1134 O ASN A 70 -8.198 0.976 7.378 1.00 0.00 O ATOM 1135 CB ASN A 70 -7.519 3.279 8.736 1.00 0.00 C ATOM 1136 CG ASN A 70 -7.154 4.658 9.250 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -6.011 5.098 9.121 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -8.126 5.347 9.837 1.00 0.00 N ATOM 0 H ASN A 70 -5.881 4.320 6.140 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.799 2.645 7.612 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.599 3.218 8.604 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.247 2.532 9.482 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.940 6.281 10.203 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.058 4.942 9.922 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.427 1.729 5.402 1.00 0.00 N ATOM 1146 CA ARG A 71 -8.066 0.674 4.626 1.00 0.00 C ATOM 1147 C ARG A 71 -7.030 -0.136 3.852 1.00 0.00 C ATOM 1148 O ARG A 71 -7.347 -0.768 2.844 1.00 0.00 O ATOM 1149 CB ARG A 71 -9.088 1.273 3.657 1.00 0.00 C ATOM 1150 CG ARG A 71 -10.001 2.306 4.297 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.730 3.132 3.248 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.766 3.975 3.838 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.807 4.443 3.158 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.949 4.152 1.873 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.709 5.205 3.765 1.00 0.00 N ATOM 0 H ARG A 71 -6.892 2.396 4.846 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.579 0.007 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.559 1.735 2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.697 0.470 3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.728 1.805 4.936 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.414 2.965 4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.013 3.758 2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.180 2.467 2.511 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.686 4.218 4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.258 3.567 1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.749 4.513 1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.603 5.431 4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.508 5.564 3.242 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.791 -0.111 4.330 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.707 -0.843 3.683 1.00 0.00 C ATOM 1171 C LEU A 72 -4.085 -1.854 4.641 1.00 0.00 C ATOM 1172 O LEU A 72 -4.069 -1.645 5.855 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.637 0.129 3.183 1.00 0.00 C ATOM 1174 CG LEU A 72 -4.149 1.410 2.525 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -3.169 2.552 2.746 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.385 1.189 1.038 1.00 0.00 C ATOM 0 H LEU A 72 -5.512 0.408 5.163 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.123 -1.384 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.003 0.405 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.004 -0.396 2.467 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.099 1.678 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.550 3.456 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.050 2.727 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.204 2.293 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.749 2.112 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.450 0.896 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.125 0.401 0.900 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.571 -2.947 4.088 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.947 -3.990 4.893 1.00 0.00 C ATOM 1190 C ARG A 73 -1.516 -4.249 4.431 1.00 0.00 C ATOM 1191 O ARG A 73 -1.163 -4.037 3.271 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.761 -5.282 4.814 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.258 -5.051 4.681 1.00 0.00 C ATOM 1194 CD ARG A 73 -6.042 -6.334 4.909 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.850 -7.293 3.825 1.00 0.00 N ATOM 1196 CZ ARG A 73 -6.077 -8.596 3.947 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.502 -9.093 5.100 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -5.880 -9.405 2.914 1.00 0.00 N ATOM 0 H ARG A 73 -3.574 -3.134 3.085 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.921 -3.648 5.928 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.415 -5.868 3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.571 -5.876 5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.576 -4.296 5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.480 -4.659 3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.732 -6.785 5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.102 -6.099 5.002 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.524 -6.943 2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.656 -8.474 5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.676 -10.094 5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.554 -9.027 2.025 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.055 -10.405 3.009 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.670 -4.719 5.360 1.00 0.00 N ATOM 1213 CA PRO A 74 0.736 -5.018 5.072 1.00 0.00 C ATOM 1214 C PRO A 74 0.897 -6.235 4.169 1.00 0.00 C ATOM 1215 O PRO A 74 0.901 -7.374 4.639 1.00 0.00 O ATOM 1216 CB PRO A 74 1.330 -5.296 6.455 1.00 0.00 C ATOM 1217 CG PRO A 74 0.175 -5.747 7.280 1.00 0.00 C ATOM 1218 CD PRO A 74 -1.021 -4.996 6.763 1.00 0.00 C ATOM 0 HA PRO A 74 1.225 -4.203 4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.105 -6.061 6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.791 -4.402 6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.028 -6.823 7.191 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.343 -5.534 8.336 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.932 -5.590 6.840 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.191 -4.077 7.324 1.00 0.00 H new ATOM 1226 N LEU A 75 1.030 -5.989 2.870 1.00 0.00 N ATOM 1227 CA LEU A 75 1.192 -7.067 1.900 1.00 0.00 C ATOM 1228 C LEU A 75 2.411 -7.921 2.233 1.00 0.00 C ATOM 1229 O LEU A 75 3.506 -7.400 2.442 1.00 0.00 O ATOM 1230 CB LEU A 75 1.327 -6.493 0.489 1.00 0.00 C ATOM 1231 CG LEU A 75 1.545 -7.510 -0.632 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.227 -8.158 -1.027 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.197 -6.846 -1.836 1.00 0.00 C ATOM 0 H LEU A 75 1.029 -5.053 2.464 1.00 0.00 H new ATOM 0 HA LEU A 75 0.306 -7.700 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.427 -5.921 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.161 -5.791 0.482 1.00 0.00 H new ATOM 0 HG LEU A 75 2.214 -8.288 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.401 -8.879 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.200 -8.669 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.466 -7.391 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.344 -7.585 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.553 -6.047 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.161 -6.430 -1.544 1.00 0.00 H new