USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 MET CE :methyl -136:sc= 0 (180deg=-0.233) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -151:sc= 0.315 (180deg=0.054) USER MOD Single : A 9 GLN : amide:sc= -0.73 K(o=-0.73,f=-1.7) USER MOD Single : A 11 CYS SG : rot 30:sc= 0.131 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.833 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.698 X(o=-0.7,f=-0.32!) USER MOD Single : A 59 THR OG1 : rot 86:sc= 0.0202 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 46:sc= -0.0189 USER MOD Single : A 63 ASN : amide:sc= -0.61 K(o=-0.61,f=-6.9!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.326 K(o=-0.33,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -14.502 2.201 -7.235 1.00 0.00 N ATOM 67 CA VAL A 8 -13.682 2.977 -8.157 1.00 0.00 C ATOM 68 C VAL A 8 -12.238 3.058 -7.673 1.00 0.00 C ATOM 69 O VAL A 8 -11.975 3.467 -6.543 1.00 0.00 O ATOM 70 CB VAL A 8 -14.233 4.405 -8.333 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.238 5.272 -9.088 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.576 4.372 -9.048 1.00 0.00 C ATOM 0 HA VAL A 8 -13.713 2.463 -9.117 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.383 4.843 -7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.645 6.277 -9.203 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.302 5.321 -8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.053 4.841 -10.072 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.951 5.389 -9.164 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.454 3.916 -10.030 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.286 3.788 -8.462 1.00 0.00 H new ATOM 82 N GLN A 9 -11.308 2.666 -8.537 1.00 0.00 N ATOM 83 CA GLN A 9 -9.890 2.694 -8.197 1.00 0.00 C ATOM 84 C GLN A 9 -9.223 3.949 -8.749 1.00 0.00 C ATOM 85 O GLN A 9 -9.734 4.580 -9.675 1.00 0.00 O ATOM 86 CB GLN A 9 -9.189 1.448 -8.742 1.00 0.00 C ATOM 87 CG GLN A 9 -8.832 1.546 -10.216 1.00 0.00 C ATOM 88 CD GLN A 9 -8.693 0.188 -10.874 1.00 0.00 C ATOM 89 OE1 GLN A 9 -7.657 -0.128 -11.461 1.00 0.00 O ATOM 90 NE2 GLN A 9 -9.738 -0.626 -10.780 1.00 0.00 N ATOM 0 H GLN A 9 -11.510 2.325 -9.477 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.803 2.706 -7.111 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.279 1.273 -8.167 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.834 0.583 -8.590 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.600 2.120 -10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.897 2.095 -10.324 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.577 -0.324 -10.284 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.702 -1.553 -11.203 1.00 0.00 H new ATOM 99 N ARG A 10 -8.078 4.306 -8.175 1.00 0.00 N ATOM 100 CA ARG A 10 -7.342 5.488 -8.609 1.00 0.00 C ATOM 101 C ARG A 10 -5.854 5.180 -8.745 1.00 0.00 C ATOM 102 O ARG A 10 -5.290 4.426 -7.951 1.00 0.00 O ATOM 103 CB ARG A 10 -7.548 6.635 -7.618 1.00 0.00 C ATOM 104 CG ARG A 10 -6.697 7.858 -7.918 1.00 0.00 C ATOM 105 CD ARG A 10 -6.991 8.993 -6.949 1.00 0.00 C ATOM 106 NE ARG A 10 -6.377 10.248 -7.373 1.00 0.00 N ATOM 107 CZ ARG A 10 -6.935 11.082 -8.242 1.00 0.00 C ATOM 108 NH1 ARG A 10 -8.114 10.796 -8.777 1.00 0.00 N ATOM 109 NH2 ARG A 10 -6.314 12.206 -8.579 1.00 0.00 N ATOM 0 H ARG A 10 -7.640 3.794 -7.409 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.725 5.787 -9.585 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.599 6.924 -7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.319 6.281 -6.613 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.642 7.592 -7.859 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.885 8.192 -8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.069 9.127 -6.865 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.625 8.727 -5.957 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.469 10.498 -6.980 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.594 9.933 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.541 11.439 -9.444 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.407 12.430 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.744 12.846 -9.247 1.00 0.00 H new ATOM 123 N CYS A 11 -5.224 5.768 -9.756 1.00 0.00 N ATOM 124 CA CYS A 11 -3.801 5.557 -9.998 1.00 0.00 C ATOM 125 C CYS A 11 -2.970 6.658 -9.348 1.00 0.00 C ATOM 126 O CYS A 11 -3.243 7.845 -9.528 1.00 0.00 O ATOM 127 CB CYS A 11 -3.520 5.507 -11.500 1.00 0.00 C ATOM 128 SG CYS A 11 -3.991 7.010 -12.389 1.00 0.00 S ATOM 0 H CYS A 11 -5.676 6.395 -10.422 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.519 4.603 -9.552 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.456 5.325 -11.654 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.054 4.660 -11.931 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.893 8.034 -11.594 1.00 0.00 H new ATOM 134 N VAL A 12 -1.954 6.257 -8.591 1.00 0.00 N ATOM 135 CA VAL A 12 -1.082 7.209 -7.914 1.00 0.00 C ATOM 136 C VAL A 12 0.368 6.741 -7.938 1.00 0.00 C ATOM 137 O VAL A 12 0.647 5.547 -7.825 1.00 0.00 O ATOM 138 CB VAL A 12 -1.516 7.426 -6.452 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.464 6.116 -5.680 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.643 8.480 -5.788 1.00 0.00 C ATOM 0 H VAL A 12 -1.714 5.279 -8.431 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.164 8.152 -8.454 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.546 7.784 -6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.774 6.289 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.135 5.393 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.446 5.726 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.964 8.620 -4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.397 8.154 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.736 9.422 -6.328 1.00 0.00 H new ATOM 150 N ILE A 13 1.288 7.688 -8.085 1.00 0.00 N ATOM 151 CA ILE A 13 2.711 7.372 -8.123 1.00 0.00 C ATOM 152 C ILE A 13 3.467 8.112 -7.025 1.00 0.00 C ATOM 153 O ILE A 13 3.252 9.304 -6.804 1.00 0.00 O ATOM 154 CB ILE A 13 3.331 7.727 -9.487 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.688 6.893 -10.597 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.836 7.509 -9.457 1.00 0.00 C ATOM 157 CD1 ILE A 13 3.031 7.373 -11.990 1.00 0.00 C ATOM 0 H ILE A 13 1.074 8.681 -8.180 1.00 0.00 H new ATOM 0 HA ILE A 13 2.800 6.298 -7.962 1.00 0.00 H new ATOM 0 HB ILE A 13 3.140 8.780 -9.693 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.005 5.856 -10.491 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.605 6.910 -10.472 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.260 7.764 -10.428 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.280 8.143 -8.689 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.048 6.464 -9.232 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.541 6.735 -12.726 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.689 8.400 -12.115 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.111 7.330 -12.134 1.00 0.00 H new ATOM 169 N ILE A 14 4.354 7.398 -6.341 1.00 0.00 N ATOM 170 CA ILE A 14 5.145 7.988 -5.268 1.00 0.00 C ATOM 171 C ILE A 14 6.603 8.152 -5.686 1.00 0.00 C ATOM 172 O ILE A 14 7.274 7.178 -6.026 1.00 0.00 O ATOM 173 CB ILE A 14 5.083 7.134 -3.988 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.630 6.934 -3.553 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.889 7.788 -2.875 1.00 0.00 C ATOM 176 CD1 ILE A 14 3.451 5.835 -2.528 1.00 0.00 C ATOM 0 H ILE A 14 4.543 6.410 -6.511 1.00 0.00 H new ATOM 0 HA ILE A 14 4.716 8.969 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 14 5.518 6.157 -4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.251 7.869 -3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.025 6.704 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.835 7.173 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.929 7.885 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.481 8.776 -2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.396 5.750 -2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.799 4.890 -2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.028 6.073 -1.635 1.00 0.00 H new ATOM 188 N GLN A 15 7.086 9.389 -5.654 1.00 0.00 N ATOM 189 CA GLN A 15 8.465 9.680 -6.029 1.00 0.00 C ATOM 190 C GLN A 15 9.317 9.958 -4.795 1.00 0.00 C ATOM 191 O GLN A 15 8.932 10.739 -3.924 1.00 0.00 O ATOM 192 CB GLN A 15 8.516 10.878 -6.979 1.00 0.00 C ATOM 193 CG GLN A 15 7.850 12.126 -6.421 1.00 0.00 C ATOM 194 CD GLN A 15 7.827 13.269 -7.416 1.00 0.00 C ATOM 195 OE1 GLN A 15 8.525 13.240 -8.430 1.00 0.00 O ATOM 196 NE2 GLN A 15 7.022 14.286 -7.131 1.00 0.00 N ATOM 0 H GLN A 15 6.544 10.206 -5.373 1.00 0.00 H new ATOM 0 HA GLN A 15 8.869 8.805 -6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.557 11.104 -7.210 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.033 10.607 -7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.829 11.887 -6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.377 12.443 -5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.461 14.269 -6.279 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.965 15.084 -7.764 1.00 0.00 H new ATOM 205 N LYS A 16 10.477 9.314 -4.726 1.00 0.00 N ATOM 206 CA LYS A 16 11.386 9.492 -3.599 1.00 0.00 C ATOM 207 C LYS A 16 11.555 10.970 -3.264 1.00 0.00 C ATOM 208 O LYS A 16 12.007 11.757 -4.097 1.00 0.00 O ATOM 209 CB LYS A 16 12.748 8.870 -3.913 1.00 0.00 C ATOM 210 CG LYS A 16 12.758 7.353 -3.832 1.00 0.00 C ATOM 211 CD LYS A 16 14.175 6.806 -3.803 1.00 0.00 C ATOM 212 CE LYS A 16 14.221 5.356 -4.263 1.00 0.00 C ATOM 213 NZ LYS A 16 15.450 4.663 -3.787 1.00 0.00 N ATOM 0 H LYS A 16 10.810 8.664 -5.438 1.00 0.00 H new ATOM 0 HA LYS A 16 10.955 8.989 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.055 9.174 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.488 9.267 -3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.225 7.032 -2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.224 6.938 -4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.814 7.413 -4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.575 6.881 -2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.341 4.830 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.181 5.319 -5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.444 3.678 -4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.290 5.150 -4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.475 4.676 -2.747 1.00 0.00 H new ATOM 281 N PHE A 21 11.194 5.863 -0.073 1.00 0.00 N ATOM 282 CA PHE A 21 9.772 5.776 0.237 1.00 0.00 C ATOM 283 C PHE A 21 9.539 5.840 1.744 1.00 0.00 C ATOM 284 O PHE A 21 10.365 5.381 2.531 1.00 0.00 O ATOM 285 CB PHE A 21 9.183 4.482 -0.328 1.00 0.00 C ATOM 286 CG PHE A 21 9.475 4.277 -1.787 1.00 0.00 C ATOM 287 CD1 PHE A 21 9.139 5.247 -2.717 1.00 0.00 C ATOM 288 CD2 PHE A 21 10.087 3.114 -2.228 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.405 5.060 -4.060 1.00 0.00 C ATOM 290 CE2 PHE A 21 10.357 2.922 -3.570 1.00 0.00 C ATOM 291 CZ PHE A 21 10.016 3.897 -4.487 1.00 0.00 C ATOM 0 HA PHE A 21 9.272 6.626 -0.226 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.577 3.636 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.103 4.488 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.664 6.160 -2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.356 2.349 -1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.135 5.823 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.834 2.011 -3.901 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.227 3.750 -5.536 1.00 0.00 H new ATOM 301 N GLY A 22 8.406 6.414 2.138 1.00 0.00 N ATOM 302 CA GLY A 22 8.083 6.528 3.548 1.00 0.00 C ATOM 303 C GLY A 22 6.779 5.842 3.902 1.00 0.00 C ATOM 304 O GLY A 22 6.032 6.318 4.757 1.00 0.00 O ATOM 0 H GLY A 22 7.706 6.802 1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.890 6.094 4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.021 7.582 3.819 1.00 0.00 H new ATOM 308 N PHE A 23 6.502 4.723 3.241 1.00 0.00 N ATOM 309 CA PHE A 23 5.277 3.972 3.489 1.00 0.00 C ATOM 310 C PHE A 23 5.575 2.486 3.663 1.00 0.00 C ATOM 311 O PHE A 23 6.456 1.936 3.000 1.00 0.00 O ATOM 312 CB PHE A 23 4.288 4.175 2.339 1.00 0.00 C ATOM 313 CG PHE A 23 4.538 3.268 1.167 1.00 0.00 C ATOM 314 CD1 PHE A 23 5.419 3.639 0.164 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.893 2.046 1.070 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.650 2.807 -0.916 1.00 0.00 C ATOM 317 CE2 PHE A 23 4.120 1.210 -0.007 1.00 0.00 C ATOM 318 CZ PHE A 23 5.001 1.591 -1.001 1.00 0.00 C ATOM 0 H PHE A 23 7.109 4.316 2.530 1.00 0.00 H new ATOM 0 HA PHE A 23 4.832 4.345 4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.276 4.009 2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.340 5.211 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.931 4.588 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.205 1.743 1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.338 3.108 -1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.610 0.260 -0.072 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.182 0.939 -1.843 1.00 0.00 H new ATOM 328 N THR A 24 4.835 1.840 4.559 1.00 0.00 N ATOM 329 CA THR A 24 5.021 0.419 4.822 1.00 0.00 C ATOM 330 C THR A 24 3.759 -0.370 4.493 1.00 0.00 C ATOM 331 O THR A 24 2.673 0.198 4.370 1.00 0.00 O ATOM 332 CB THR A 24 5.403 0.165 6.292 1.00 0.00 C ATOM 333 OG1 THR A 24 4.445 0.780 7.161 1.00 0.00 O ATOM 334 CG2 THR A 24 6.791 0.710 6.593 1.00 0.00 C ATOM 0 H THR A 24 4.101 2.279 5.115 1.00 0.00 H new ATOM 0 HA THR A 24 5.835 0.082 4.180 1.00 0.00 H new ATOM 0 HB THR A 24 5.408 -0.912 6.462 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.694 0.612 8.094 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.038 0.519 7.637 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.522 0.219 5.951 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.808 1.784 6.407 1.00 0.00 H new ATOM 342 N VAL A 25 3.908 -1.684 4.351 1.00 0.00 N ATOM 343 CA VAL A 25 2.779 -2.552 4.038 1.00 0.00 C ATOM 344 C VAL A 25 2.892 -3.885 4.768 1.00 0.00 C ATOM 345 O VAL A 25 3.991 -4.336 5.093 1.00 0.00 O ATOM 346 CB VAL A 25 2.676 -2.815 2.524 1.00 0.00 C ATOM 347 CG1 VAL A 25 2.582 -1.503 1.760 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.863 -3.637 2.045 1.00 0.00 C ATOM 0 H VAL A 25 4.799 -2.170 4.448 1.00 0.00 H new ATOM 0 HA VAL A 25 1.880 -2.034 4.371 1.00 0.00 H new ATOM 0 HB VAL A 25 1.767 -3.385 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.510 -1.708 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.697 -0.955 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.471 -0.904 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.774 -3.814 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.787 -3.095 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.880 -4.592 2.570 1.00 0.00 H new ATOM 358 N SER A 26 1.749 -4.513 5.023 1.00 0.00 N ATOM 359 CA SER A 26 1.719 -5.795 5.718 1.00 0.00 C ATOM 360 C SER A 26 0.572 -6.663 5.207 1.00 0.00 C ATOM 361 O SER A 26 -0.493 -6.159 4.854 1.00 0.00 O ATOM 362 CB SER A 26 1.577 -5.579 7.225 1.00 0.00 C ATOM 363 OG SER A 26 1.769 -6.791 7.935 1.00 0.00 O ATOM 0 H SER A 26 0.831 -4.155 4.759 1.00 0.00 H new ATOM 0 HA SER A 26 2.659 -6.310 5.519 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.304 -4.839 7.559 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.588 -5.177 7.446 1.00 0.00 H new ATOM 0 HG SER A 26 1.675 -6.625 8.896 1.00 0.00 H new ATOM 369 N GLY A 27 0.800 -7.973 5.172 1.00 0.00 N ATOM 370 CA GLY A 27 -0.221 -8.891 4.703 1.00 0.00 C ATOM 371 C GLY A 27 0.308 -9.872 3.677 1.00 0.00 C ATOM 372 O GLY A 27 0.851 -9.472 2.647 1.00 0.00 O ATOM 0 H GLY A 27 1.673 -8.414 5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.628 -9.441 5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.043 -8.323 4.268 1.00 0.00 H new ATOM 376 N ASP A 28 0.152 -11.161 3.958 1.00 0.00 N ATOM 377 CA ASP A 28 0.619 -12.204 3.051 1.00 0.00 C ATOM 378 C ASP A 28 -0.327 -12.354 1.863 1.00 0.00 C ATOM 379 O ASP A 28 0.112 -12.468 0.718 1.00 0.00 O ATOM 380 CB ASP A 28 0.743 -13.536 3.791 1.00 0.00 C ATOM 381 CG ASP A 28 -0.606 -14.120 4.162 1.00 0.00 C ATOM 382 OD1 ASP A 28 -1.443 -13.377 4.716 1.00 0.00 O ATOM 383 OD2 ASP A 28 -0.825 -15.321 3.897 1.00 0.00 O ATOM 0 H ASP A 28 -0.294 -11.509 4.807 1.00 0.00 H new ATOM 0 HA ASP A 28 1.601 -11.913 2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.284 -14.247 3.166 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.335 -13.392 4.695 1.00 0.00 H new ATOM 388 N ARG A 29 -1.626 -12.355 2.143 1.00 0.00 N ATOM 389 CA ARG A 29 -2.633 -12.493 1.098 1.00 0.00 C ATOM 390 C ARG A 29 -3.141 -11.127 0.648 1.00 0.00 C ATOM 391 O ARG A 29 -3.086 -10.792 -0.535 1.00 0.00 O ATOM 392 CB ARG A 29 -3.802 -13.345 1.597 1.00 0.00 C ATOM 393 CG ARG A 29 -4.909 -13.520 0.571 1.00 0.00 C ATOM 394 CD ARG A 29 -6.166 -14.100 1.201 1.00 0.00 C ATOM 395 NE ARG A 29 -7.247 -14.247 0.230 1.00 0.00 N ATOM 396 CZ ARG A 29 -8.530 -14.323 0.565 1.00 0.00 C ATOM 397 NH1 ARG A 29 -8.890 -14.267 1.840 1.00 0.00 N ATOM 398 NH2 ARG A 29 -9.456 -14.456 -0.376 1.00 0.00 N ATOM 0 H ARG A 29 -2.006 -12.262 3.085 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.169 -12.988 0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.428 -14.327 1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.218 -12.886 2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.140 -12.557 0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.565 -14.176 -0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.937 -15.072 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.495 -13.454 2.015 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.003 -14.294 -0.759 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.181 -14.165 2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.876 -14.326 2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.183 -14.500 -1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.441 -14.514 -0.118 1.00 0.00 H new ATOM 412 N ILE A 30 -3.636 -10.343 1.600 1.00 0.00 N ATOM 413 CA ILE A 30 -4.154 -9.013 1.301 1.00 0.00 C ATOM 414 C ILE A 30 -3.187 -7.930 1.766 1.00 0.00 C ATOM 415 O ILE A 30 -3.049 -7.678 2.963 1.00 0.00 O ATOM 416 CB ILE A 30 -5.525 -8.781 1.964 1.00 0.00 C ATOM 417 CG1 ILE A 30 -6.507 -9.879 1.553 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.068 -7.410 1.590 1.00 0.00 C ATOM 419 CD1 ILE A 30 -7.104 -9.673 0.179 1.00 0.00 C ATOM 0 H ILE A 30 -3.689 -10.605 2.584 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.269 -8.954 0.219 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.400 -8.818 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.995 -10.841 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.312 -9.928 2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.037 -7.260 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.375 -6.640 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.181 -7.346 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.790 -10.489 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.645 -8.727 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.307 -9.654 -0.565 1.00 0.00 H new ATOM 431 N VAL A 31 -2.520 -7.290 0.811 1.00 0.00 N ATOM 432 CA VAL A 31 -1.567 -6.231 1.121 1.00 0.00 C ATOM 433 C VAL A 31 -2.285 -4.930 1.464 1.00 0.00 C ATOM 434 O VAL A 31 -3.179 -4.492 0.739 1.00 0.00 O ATOM 435 CB VAL A 31 -0.605 -5.979 -0.055 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.395 -4.889 0.297 1.00 0.00 C ATOM 437 CG2 VAL A 31 0.110 -7.265 -0.442 1.00 0.00 C ATOM 0 H VAL A 31 -2.622 -7.487 -0.185 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.992 -6.565 1.985 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.187 -5.641 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.066 -4.725 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.138 -3.965 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.975 -5.194 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.786 -7.069 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.681 -7.634 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.624 -8.014 -0.739 1.00 0.00 H new ATOM 447 N LEU A 32 -1.887 -4.316 2.572 1.00 0.00 N ATOM 448 CA LEU A 32 -2.491 -3.063 3.012 1.00 0.00 C ATOM 449 C LEU A 32 -1.441 -2.132 3.609 1.00 0.00 C ATOM 450 O LEU A 32 -0.468 -2.583 4.214 1.00 0.00 O ATOM 451 CB LEU A 32 -3.590 -3.337 4.040 1.00 0.00 C ATOM 452 CG LEU A 32 -4.750 -4.213 3.565 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.426 -4.890 4.747 1.00 0.00 C ATOM 454 CD2 LEU A 32 -5.754 -3.385 2.776 1.00 0.00 C ATOM 0 H LEU A 32 -1.148 -4.665 3.183 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.930 -2.575 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.136 -3.811 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.995 -2.381 4.373 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.352 -4.987 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.249 -5.509 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.703 -5.515 5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.812 -4.132 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.573 -4.024 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.147 -2.590 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.262 -2.947 1.907 1.00 0.00 H new ATOM 466 N VAL A 33 -1.645 -0.830 3.438 1.00 0.00 N ATOM 467 CA VAL A 33 -0.718 0.165 3.963 1.00 0.00 C ATOM 468 C VAL A 33 -0.693 0.143 5.487 1.00 0.00 C ATOM 469 O VAL A 33 -1.641 0.579 6.140 1.00 0.00 O ATOM 470 CB VAL A 33 -1.088 1.583 3.488 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.132 2.610 4.075 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.090 1.652 1.968 1.00 0.00 C ATOM 0 H VAL A 33 -2.445 -0.439 2.940 1.00 0.00 H new ATOM 0 HA VAL A 33 0.270 -0.092 3.582 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.093 1.815 3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.409 3.605 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.186 2.577 5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.885 2.385 3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.353 2.661 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.099 1.400 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.819 0.945 1.573 1.00 0.00 H new ATOM 482 N GLN A 34 0.399 -0.368 6.048 1.00 0.00 N ATOM 483 CA GLN A 34 0.547 -0.447 7.496 1.00 0.00 C ATOM 484 C GLN A 34 0.539 0.944 8.121 1.00 0.00 C ATOM 485 O GLN A 34 -0.169 1.192 9.098 1.00 0.00 O ATOM 486 CB GLN A 34 1.844 -1.174 7.858 1.00 0.00 C ATOM 487 CG GLN A 34 2.041 -1.358 9.354 1.00 0.00 C ATOM 488 CD GLN A 34 3.140 -2.350 9.680 1.00 0.00 C ATOM 489 OE1 GLN A 34 4.048 -2.574 8.878 1.00 0.00 O ATOM 490 NE2 GLN A 34 3.065 -2.951 10.861 1.00 0.00 N ATOM 0 H GLN A 34 1.193 -0.733 5.522 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.299 -1.008 7.892 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.849 -2.152 7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.689 -0.615 7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.280 -0.395 9.806 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.106 -1.697 9.801 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.295 -2.736 11.495 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.777 -3.628 11.135 1.00 0.00 H new ATOM 499 N SER A 35 1.330 1.848 7.552 1.00 0.00 N ATOM 500 CA SER A 35 1.417 3.213 8.057 1.00 0.00 C ATOM 501 C SER A 35 1.881 4.168 6.961 1.00 0.00 C ATOM 502 O SER A 35 2.281 3.742 5.878 1.00 0.00 O ATOM 503 CB SER A 35 2.375 3.280 9.247 1.00 0.00 C ATOM 504 OG SER A 35 2.074 4.384 10.083 1.00 0.00 O ATOM 0 H SER A 35 1.920 1.660 6.741 1.00 0.00 H new ATOM 0 HA SER A 35 0.423 3.517 8.384 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.311 2.356 9.822 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.401 3.361 8.888 1.00 0.00 H new ATOM 0 HG SER A 35 2.700 4.403 10.837 1.00 0.00 H new ATOM 510 N VAL A 36 1.824 5.464 7.252 1.00 0.00 N ATOM 511 CA VAL A 36 2.239 6.482 6.293 1.00 0.00 C ATOM 512 C VAL A 36 3.005 7.606 6.982 1.00 0.00 C ATOM 513 O VAL A 36 2.499 8.237 7.910 1.00 0.00 O ATOM 514 CB VAL A 36 1.029 7.080 5.550 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.480 8.160 4.580 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.257 5.988 4.825 1.00 0.00 C ATOM 0 H VAL A 36 1.495 5.834 8.144 1.00 0.00 H new ATOM 0 HA VAL A 36 2.892 5.990 5.572 1.00 0.00 H new ATOM 0 HB VAL A 36 0.364 7.538 6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.612 8.571 4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.986 8.954 5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.166 7.730 3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.594 6.428 4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.910 5.499 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.099 5.253 5.547 1.00 0.00 H new ATOM 526 N ARG A 37 4.227 7.850 6.521 1.00 0.00 N ATOM 527 CA ARG A 37 5.064 8.898 7.093 1.00 0.00 C ATOM 528 C ARG A 37 4.317 10.228 7.134 1.00 0.00 C ATOM 529 O ARG A 37 3.639 10.617 6.183 1.00 0.00 O ATOM 530 CB ARG A 37 6.353 9.050 6.283 1.00 0.00 C ATOM 531 CG ARG A 37 7.379 9.962 6.936 1.00 0.00 C ATOM 532 CD ARG A 37 8.121 9.252 8.058 1.00 0.00 C ATOM 533 NE ARG A 37 9.167 8.369 7.548 1.00 0.00 N ATOM 534 CZ ARG A 37 10.105 7.822 8.314 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.127 8.067 9.617 1.00 0.00 N ATOM 536 NH2 ARG A 37 11.023 7.029 7.777 1.00 0.00 N ATOM 0 H ARG A 37 4.660 7.336 5.753 1.00 0.00 H new ATOM 0 HA ARG A 37 5.316 8.610 8.114 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.797 8.066 6.134 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.108 9.441 5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.092 10.305 6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.881 10.848 7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.564 9.992 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.414 8.672 8.650 1.00 0.00 H new ATOM 0 HE ARG A 37 9.178 8.161 6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.423 8.676 10.033 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.848 7.646 10.203 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.009 6.839 6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.742 6.610 8.366 1.00 0.00 H new ATOM 550 N PRO A 38 4.444 10.943 8.262 1.00 0.00 N ATOM 551 CA PRO A 38 3.788 12.240 8.454 1.00 0.00 C ATOM 552 C PRO A 38 4.394 13.332 7.578 1.00 0.00 C ATOM 553 O PRO A 38 5.382 13.963 7.951 1.00 0.00 O ATOM 554 CB PRO A 38 4.033 12.545 9.934 1.00 0.00 C ATOM 555 CG PRO A 38 5.267 11.786 10.278 1.00 0.00 C ATOM 556 CD PRO A 38 5.236 10.541 9.436 1.00 0.00 C ATOM 0 HA PRO A 38 2.734 12.208 8.179 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.166 13.614 10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.190 12.229 10.548 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.159 12.376 10.069 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.290 11.539 11.339 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.239 10.222 9.154 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.774 9.708 9.967 1.00 0.00 H new ATOM 564 N GLY A 39 3.795 13.549 6.412 1.00 0.00 N ATOM 565 CA GLY A 39 4.289 14.565 5.501 1.00 0.00 C ATOM 566 C GLY A 39 5.471 14.084 4.682 1.00 0.00 C ATOM 567 O GLY A 39 6.406 14.841 4.425 1.00 0.00 O ATOM 0 H GLY A 39 2.976 13.039 6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.485 14.869 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.580 15.448 6.070 1.00 0.00 H new ATOM 571 N GLY A 40 5.429 12.820 4.272 1.00 0.00 N ATOM 572 CA GLY A 40 6.511 12.260 3.483 1.00 0.00 C ATOM 573 C GLY A 40 6.184 12.210 2.004 1.00 0.00 C ATOM 574 O GLY A 40 5.426 13.038 1.501 1.00 0.00 O ATOM 0 H GLY A 40 4.665 12.174 4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.412 12.855 3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.732 11.253 3.837 1.00 0.00 H new ATOM 578 N ALA A 41 6.760 11.237 1.305 1.00 0.00 N ATOM 579 CA ALA A 41 6.525 11.083 -0.125 1.00 0.00 C ATOM 580 C ALA A 41 5.165 10.447 -0.393 1.00 0.00 C ATOM 581 O ALA A 41 4.413 10.907 -1.252 1.00 0.00 O ATOM 582 CB ALA A 41 7.632 10.250 -0.755 1.00 0.00 C ATOM 0 H ALA A 41 7.392 10.544 1.706 1.00 0.00 H new ATOM 0 HA ALA A 41 6.529 12.075 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.444 10.143 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.591 10.745 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.655 9.264 -0.290 1.00 0.00 H new ATOM 588 N ALA A 42 4.857 9.387 0.346 1.00 0.00 N ATOM 589 CA ALA A 42 3.587 8.689 0.189 1.00 0.00 C ATOM 590 C ALA A 42 2.415 9.593 0.556 1.00 0.00 C ATOM 591 O ALA A 42 1.527 9.837 -0.261 1.00 0.00 O ATOM 592 CB ALA A 42 3.569 7.428 1.039 1.00 0.00 C ATOM 0 H ALA A 42 5.470 8.992 1.060 1.00 0.00 H new ATOM 0 HA ALA A 42 3.482 8.409 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.615 6.917 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.378 6.768 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.701 7.694 2.088 1.00 0.00 H new ATOM 598 N MET A 43 2.418 10.087 1.790 1.00 0.00 N ATOM 599 CA MET A 43 1.354 10.965 2.264 1.00 0.00 C ATOM 600 C MET A 43 1.048 12.051 1.238 1.00 0.00 C ATOM 601 O MET A 43 -0.104 12.247 0.851 1.00 0.00 O ATOM 602 CB MET A 43 1.747 11.602 3.598 1.00 0.00 C ATOM 603 CG MET A 43 0.616 12.375 4.258 1.00 0.00 C ATOM 604 SD MET A 43 -0.635 11.296 4.979 1.00 0.00 S ATOM 605 CE MET A 43 0.109 10.929 6.567 1.00 0.00 C ATOM 0 H MET A 43 3.145 9.894 2.479 1.00 0.00 H new ATOM 0 HA MET A 43 0.456 10.363 2.408 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.088 10.821 4.278 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.590 12.274 3.436 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.027 13.019 5.036 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.147 13.026 3.520 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.005 9.865 6.780 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.166 11.192 6.543 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.391 11.506 7.345 1.00 0.00 H new ATOM 615 N LYS A 44 2.086 12.756 0.802 1.00 0.00 N ATOM 616 CA LYS A 44 1.929 13.823 -0.180 1.00 0.00 C ATOM 617 C LYS A 44 1.197 13.318 -1.419 1.00 0.00 C ATOM 618 O LYS A 44 0.285 13.974 -1.922 1.00 0.00 O ATOM 619 CB LYS A 44 3.297 14.384 -0.576 1.00 0.00 C ATOM 620 CG LYS A 44 3.882 15.341 0.449 1.00 0.00 C ATOM 621 CD LYS A 44 5.248 15.848 0.021 1.00 0.00 C ATOM 622 CE LYS A 44 6.099 16.239 1.220 1.00 0.00 C ATOM 623 NZ LYS A 44 5.581 17.463 1.892 1.00 0.00 N ATOM 0 H LYS A 44 3.046 12.608 1.113 1.00 0.00 H new ATOM 0 HA LYS A 44 1.335 14.616 0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.990 13.556 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.206 14.900 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.206 16.185 0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.965 14.838 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.760 15.076 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.128 16.708 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.122 15.415 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.126 16.409 0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.188 17.697 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.583 18.256 1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.610 17.293 2.223 1.00 0.00 H new ATOM 637 N ALA A 45 1.600 12.149 -1.904 1.00 0.00 N ATOM 638 CA ALA A 45 0.979 11.555 -3.082 1.00 0.00 C ATOM 639 C ALA A 45 -0.509 11.311 -2.854 1.00 0.00 C ATOM 640 O ALA A 45 -1.303 11.336 -3.793 1.00 0.00 O ATOM 641 CB ALA A 45 1.679 10.255 -3.449 1.00 0.00 C ATOM 0 H ALA A 45 2.354 11.594 -1.500 1.00 0.00 H new ATOM 0 HA ALA A 45 1.083 12.257 -3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.205 9.823 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.729 10.455 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.605 9.555 -2.617 1.00 0.00 H new ATOM 647 N GLY A 46 -0.879 11.073 -1.599 1.00 0.00 N ATOM 648 CA GLY A 46 -2.271 10.826 -1.271 1.00 0.00 C ATOM 649 C GLY A 46 -2.520 9.394 -0.841 1.00 0.00 C ATOM 650 O GLY A 46 -3.542 8.803 -1.189 1.00 0.00 O ATOM 0 H GLY A 46 -0.240 11.047 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.578 11.501 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.891 11.055 -2.137 1.00 0.00 H new ATOM 654 N VAL A 47 -1.583 8.834 -0.083 1.00 0.00 N ATOM 655 CA VAL A 47 -1.706 7.462 0.395 1.00 0.00 C ATOM 656 C VAL A 47 -1.967 7.424 1.897 1.00 0.00 C ATOM 657 O VAL A 47 -1.188 7.956 2.687 1.00 0.00 O ATOM 658 CB VAL A 47 -0.438 6.644 0.085 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.612 5.200 0.529 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.106 6.719 -1.398 1.00 0.00 C ATOM 0 H VAL A 47 -0.730 9.309 0.213 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.553 7.019 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 47 0.395 7.072 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.294 4.638 0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.798 5.169 1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.456 4.756 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.792 6.136 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.937 6.317 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.065 7.758 -1.681 1.00 0.00 H new ATOM 670 N LYS A 48 -3.069 6.790 2.284 1.00 0.00 N ATOM 671 CA LYS A 48 -3.434 6.680 3.691 1.00 0.00 C ATOM 672 C LYS A 48 -3.477 5.219 4.129 1.00 0.00 C ATOM 673 O LYS A 48 -3.281 4.314 3.320 1.00 0.00 O ATOM 674 CB LYS A 48 -4.793 7.339 3.940 1.00 0.00 C ATOM 675 CG LYS A 48 -4.731 8.855 4.007 1.00 0.00 C ATOM 676 CD LYS A 48 -4.308 9.335 5.386 1.00 0.00 C ATOM 677 CE LYS A 48 -4.279 10.854 5.462 1.00 0.00 C ATOM 678 NZ LYS A 48 -3.616 11.334 6.706 1.00 0.00 N ATOM 0 H LYS A 48 -3.725 6.344 1.642 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.675 7.195 4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.480 7.047 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.206 6.959 4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.028 9.225 3.260 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.707 9.271 3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.997 8.945 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.321 8.939 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.753 11.251 4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.298 11.239 5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.016 12.254 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.774 10.647 7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.595 11.436 6.538 1.00 0.00 H new ATOM 692 N GLU A 49 -3.737 4.999 5.414 1.00 0.00 N ATOM 693 CA GLU A 49 -3.807 3.648 5.958 1.00 0.00 C ATOM 694 C GLU A 49 -5.117 2.970 5.566 1.00 0.00 C ATOM 695 O GLU A 49 -6.153 3.622 5.444 1.00 0.00 O ATOM 696 CB GLU A 49 -3.673 3.680 7.482 1.00 0.00 C ATOM 697 CG GLU A 49 -2.261 3.971 7.963 1.00 0.00 C ATOM 698 CD GLU A 49 -2.236 4.693 9.296 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.230 4.009 10.341 1.00 0.00 O ATOM 700 OE2 GLU A 49 -2.223 5.941 9.294 1.00 0.00 O ATOM 0 H GLU A 49 -3.902 5.738 6.097 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.981 3.073 5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.347 4.437 7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.995 2.721 7.887 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.711 3.034 8.051 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.744 4.575 7.217 1.00 0.00 H new ATOM 707 N GLY A 50 -5.061 1.656 5.369 1.00 0.00 N ATOM 708 CA GLY A 50 -6.248 0.912 4.992 1.00 0.00 C ATOM 709 C GLY A 50 -6.418 0.814 3.489 1.00 0.00 C ATOM 710 O GLY A 50 -7.329 0.143 3.003 1.00 0.00 O ATOM 0 H GLY A 50 -4.215 1.094 5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.194 -0.091 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.126 1.392 5.423 1.00 0.00 H new ATOM 714 N ASP A 51 -5.541 1.486 2.751 1.00 0.00 N ATOM 715 CA ASP A 51 -5.599 1.472 1.294 1.00 0.00 C ATOM 716 C ASP A 51 -5.084 0.147 0.742 1.00 0.00 C ATOM 717 O ASP A 51 -3.940 -0.236 0.987 1.00 0.00 O ATOM 718 CB ASP A 51 -4.781 2.630 0.719 1.00 0.00 C ATOM 719 CG ASP A 51 -5.409 3.980 1.005 1.00 0.00 C ATOM 720 OD1 ASP A 51 -5.605 4.303 2.195 1.00 0.00 O ATOM 721 OD2 ASP A 51 -5.707 4.713 0.038 1.00 0.00 O ATOM 0 H ASP A 51 -4.782 2.047 3.138 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.641 1.589 0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.775 2.604 1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.680 2.500 -0.359 1.00 0.00 H new ATOM 726 N ARG A 52 -5.936 -0.550 -0.003 1.00 0.00 N ATOM 727 CA ARG A 52 -5.568 -1.834 -0.587 1.00 0.00 C ATOM 728 C ARG A 52 -5.034 -1.652 -2.005 1.00 0.00 C ATOM 729 O ARG A 52 -5.656 -0.985 -2.832 1.00 0.00 O ATOM 730 CB ARG A 52 -6.773 -2.776 -0.601 1.00 0.00 C ATOM 731 CG ARG A 52 -6.412 -4.223 -0.894 1.00 0.00 C ATOM 732 CD ARG A 52 -7.591 -5.152 -0.653 1.00 0.00 C ATOM 733 NE ARG A 52 -7.492 -6.378 -1.440 1.00 0.00 N ATOM 734 CZ ARG A 52 -7.751 -6.440 -2.741 1.00 0.00 C ATOM 735 NH1 ARG A 52 -8.124 -5.351 -3.398 1.00 0.00 N ATOM 736 NH2 ARG A 52 -7.638 -7.594 -3.387 1.00 0.00 N ATOM 0 H ARG A 52 -6.886 -0.247 -0.216 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.781 -2.272 0.026 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.275 -2.724 0.365 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.486 -2.430 -1.350 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.081 -4.314 -1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.575 -4.525 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.643 -5.404 0.406 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.517 -4.635 -0.903 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.208 -7.234 -0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.213 -4.463 -2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.322 -5.401 -4.397 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.352 -8.434 -2.884 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.837 -7.641 -4.386 1.00 0.00 H new ATOM 750 N ILE A 53 -3.879 -2.250 -2.277 1.00 0.00 N ATOM 751 CA ILE A 53 -3.262 -2.155 -3.594 1.00 0.00 C ATOM 752 C ILE A 53 -3.750 -3.271 -4.512 1.00 0.00 C ATOM 753 O ILE A 53 -3.795 -4.436 -4.118 1.00 0.00 O ATOM 754 CB ILE A 53 -1.726 -2.215 -3.502 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.201 -1.082 -2.619 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.109 -2.141 -4.891 1.00 0.00 C ATOM 757 CD1 ILE A 53 0.168 -1.355 -2.036 1.00 0.00 C ATOM 0 H ILE A 53 -3.352 -2.805 -1.603 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.555 -1.191 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.441 -3.165 -3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.161 -0.164 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.906 -0.910 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.023 -2.185 -4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.462 -2.980 -5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.400 -1.205 -5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.477 -0.510 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.129 -2.255 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.886 -1.497 -2.844 1.00 0.00 H new ATOM 769 N ILE A 54 -4.112 -2.906 -5.737 1.00 0.00 N ATOM 770 CA ILE A 54 -4.593 -3.877 -6.712 1.00 0.00 C ATOM 771 C ILE A 54 -3.534 -4.164 -7.771 1.00 0.00 C ATOM 772 O ILE A 54 -3.168 -5.317 -8.002 1.00 0.00 O ATOM 773 CB ILE A 54 -5.878 -3.389 -7.406 1.00 0.00 C ATOM 774 CG1 ILE A 54 -6.799 -2.700 -6.397 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.594 -4.552 -8.076 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.142 -2.308 -6.973 1.00 0.00 C ATOM 0 H ILE A 54 -4.081 -1.945 -6.078 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.812 -4.793 -6.163 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.605 -2.665 -8.174 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.957 -3.366 -5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.303 -1.808 -6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.500 -4.190 -8.562 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.938 -5.003 -8.821 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.858 -5.298 -7.326 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.742 -1.825 -6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.994 -1.617 -7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.659 -3.199 -7.330 1.00 0.00 H new ATOM 788 N LYS A 55 -3.044 -3.108 -8.411 1.00 0.00 N ATOM 789 CA LYS A 55 -2.024 -3.245 -9.444 1.00 0.00 C ATOM 790 C LYS A 55 -0.788 -2.419 -9.101 1.00 0.00 C ATOM 791 O LYS A 55 -0.893 -1.337 -8.525 1.00 0.00 O ATOM 792 CB LYS A 55 -2.582 -2.808 -10.801 1.00 0.00 C ATOM 793 CG LYS A 55 -1.874 -3.447 -11.983 1.00 0.00 C ATOM 794 CD LYS A 55 -2.786 -3.541 -13.195 1.00 0.00 C ATOM 795 CE LYS A 55 -3.218 -2.164 -13.675 1.00 0.00 C ATOM 796 NZ LYS A 55 -2.192 -1.535 -14.552 1.00 0.00 N ATOM 0 H LYS A 55 -3.337 -2.147 -8.233 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.735 -4.295 -9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.642 -3.056 -10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.505 -1.724 -10.884 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.989 -2.864 -12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.530 -4.444 -11.707 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.270 -4.063 -14.001 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.666 -4.133 -12.944 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.159 -2.248 -14.219 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.404 -1.521 -12.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.524 -0.598 -14.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.301 -1.432 -14.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.033 -2.135 -15.386 1.00 0.00 H new ATOM 810 N VAL A 56 0.382 -2.937 -9.460 1.00 0.00 N ATOM 811 CA VAL A 56 1.638 -2.247 -9.192 1.00 0.00 C ATOM 812 C VAL A 56 2.546 -2.262 -10.417 1.00 0.00 C ATOM 813 O VAL A 56 2.903 -3.324 -10.924 1.00 0.00 O ATOM 814 CB VAL A 56 2.386 -2.882 -8.005 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.575 -2.023 -7.602 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.442 -3.086 -6.829 1.00 0.00 C ATOM 0 H VAL A 56 0.486 -3.832 -9.937 1.00 0.00 H new ATOM 0 HA VAL A 56 1.385 -1.216 -8.943 1.00 0.00 H new ATOM 0 HB VAL A 56 2.761 -3.858 -8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.091 -2.487 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.261 -1.933 -8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.226 -1.032 -7.311 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.987 -3.536 -5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.036 -2.124 -6.518 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.627 -3.745 -7.127 1.00 0.00 H new ATOM 826 N ASN A 57 2.915 -1.075 -10.888 1.00 0.00 N ATOM 827 CA ASN A 57 3.782 -0.952 -12.055 1.00 0.00 C ATOM 828 C ASN A 57 3.355 -1.920 -13.154 1.00 0.00 C ATOM 829 O ASN A 57 4.176 -2.656 -13.700 1.00 0.00 O ATOM 830 CB ASN A 57 5.238 -1.215 -11.664 1.00 0.00 C ATOM 831 CG ASN A 57 6.216 -0.699 -12.701 1.00 0.00 C ATOM 832 OD1 ASN A 57 6.089 -0.992 -13.891 1.00 0.00 O ATOM 833 ND2 ASN A 57 7.200 0.072 -12.254 1.00 0.00 N ATOM 0 H ASN A 57 2.628 -0.185 -10.480 1.00 0.00 H new ATOM 0 HA ASN A 57 3.694 0.065 -12.437 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.445 -0.740 -10.705 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.387 -2.286 -11.529 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.890 0.448 -12.905 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.266 0.289 -11.260 1.00 0.00 H new ATOM 840 N GLY A 58 2.065 -1.913 -13.473 1.00 0.00 N ATOM 841 CA GLY A 58 1.551 -2.794 -14.506 1.00 0.00 C ATOM 842 C GLY A 58 1.620 -4.255 -14.109 1.00 0.00 C ATOM 843 O GLY A 58 1.782 -5.131 -14.959 1.00 0.00 O ATOM 0 H GLY A 58 1.366 -1.313 -13.035 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.517 -2.528 -14.724 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.119 -2.643 -15.424 1.00 0.00 H new ATOM 847 N THR A 59 1.499 -4.520 -12.812 1.00 0.00 N ATOM 848 CA THR A 59 1.552 -5.885 -12.303 1.00 0.00 C ATOM 849 C THR A 59 0.343 -6.192 -11.427 1.00 0.00 C ATOM 850 O THR A 59 0.104 -5.519 -10.425 1.00 0.00 O ATOM 851 CB THR A 59 2.837 -6.132 -11.490 1.00 0.00 C ATOM 852 OG1 THR A 59 3.985 -5.779 -12.269 1.00 0.00 O ATOM 853 CG2 THR A 59 2.935 -7.589 -11.064 1.00 0.00 C ATOM 0 H THR A 59 1.364 -3.807 -12.095 1.00 0.00 H new ATOM 0 HA THR A 59 1.547 -6.546 -13.170 1.00 0.00 H new ATOM 0 HB THR A 59 2.801 -5.510 -10.596 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.163 -4.820 -12.173 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.850 -7.740 -10.491 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.074 -7.846 -10.447 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.951 -8.226 -11.948 1.00 0.00 H new ATOM 861 N MET A 60 -0.417 -7.213 -11.812 1.00 0.00 N ATOM 862 CA MET A 60 -1.601 -7.610 -11.059 1.00 0.00 C ATOM 863 C MET A 60 -1.215 -8.427 -9.830 1.00 0.00 C ATOM 864 O MET A 60 -1.159 -9.656 -9.882 1.00 0.00 O ATOM 865 CB MET A 60 -2.548 -8.419 -11.947 1.00 0.00 C ATOM 866 CG MET A 60 -3.857 -8.784 -11.265 1.00 0.00 C ATOM 867 SD MET A 60 -5.173 -9.153 -12.441 1.00 0.00 S ATOM 868 CE MET A 60 -6.027 -7.580 -12.499 1.00 0.00 C ATOM 0 H MET A 60 -0.234 -7.780 -12.640 1.00 0.00 H new ATOM 0 HA MET A 60 -2.110 -6.705 -10.726 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.765 -7.847 -12.849 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.045 -9.333 -12.263 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.698 -9.649 -10.621 1.00 0.00 H new ATOM 0 HG3 MET A 60 -4.169 -7.961 -10.622 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.870 -7.649 -13.187 1.00 0.00 H new ATOM 0 HE2 MET A 60 -6.391 -7.327 -11.503 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.341 -6.806 -12.842 1.00 0.00 H new ATOM 878 N VAL A 61 -0.950 -7.737 -8.725 1.00 0.00 N ATOM 879 CA VAL A 61 -0.570 -8.399 -7.483 1.00 0.00 C ATOM 880 C VAL A 61 -1.790 -8.671 -6.610 1.00 0.00 C ATOM 881 O VAL A 61 -1.738 -8.531 -5.388 1.00 0.00 O ATOM 882 CB VAL A 61 0.441 -7.556 -6.684 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.691 -7.296 -7.511 1.00 0.00 C ATOM 884 CG2 VAL A 61 -0.193 -6.248 -6.235 1.00 0.00 C ATOM 0 H VAL A 61 -0.992 -6.720 -8.665 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.105 -9.346 -7.758 1.00 0.00 H new ATOM 0 HB VAL A 61 0.732 -8.116 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.394 -6.699 -6.930 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.155 -8.246 -7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.421 -6.757 -8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.536 -5.665 -5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.515 -5.681 -7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.055 -6.460 -5.603 1.00 0.00 H new ATOM 894 N THR A 62 -2.891 -9.062 -7.246 1.00 0.00 N ATOM 895 CA THR A 62 -4.125 -9.354 -6.528 1.00 0.00 C ATOM 896 C THR A 62 -4.077 -10.739 -5.892 1.00 0.00 C ATOM 897 O THR A 62 -4.021 -11.751 -6.589 1.00 0.00 O ATOM 898 CB THR A 62 -5.349 -9.271 -7.459 1.00 0.00 C ATOM 899 OG1 THR A 62 -5.092 -9.989 -8.672 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.686 -7.824 -7.783 1.00 0.00 C ATOM 0 H THR A 62 -2.952 -9.183 -8.257 1.00 0.00 H new ATOM 0 HA THR A 62 -4.221 -8.601 -5.745 1.00 0.00 H new ATOM 0 HB THR A 62 -6.199 -9.719 -6.945 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.688 -10.856 -8.459 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.554 -7.791 -8.442 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.910 -7.287 -6.861 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.836 -7.355 -8.279 1.00 0.00 H new ATOM 908 N ASN A 63 -4.101 -10.776 -4.564 1.00 0.00 N ATOM 909 CA ASN A 63 -4.060 -12.037 -3.833 1.00 0.00 C ATOM 910 C ASN A 63 -2.701 -12.712 -3.988 1.00 0.00 C ATOM 911 O ASN A 63 -2.618 -13.911 -4.255 1.00 0.00 O ATOM 912 CB ASN A 63 -5.166 -12.973 -4.328 1.00 0.00 C ATOM 913 CG ASN A 63 -5.501 -14.055 -3.321 1.00 0.00 C ATOM 914 OD1 ASN A 63 -5.734 -13.774 -2.145 1.00 0.00 O ATOM 915 ND2 ASN A 63 -5.525 -15.302 -3.778 1.00 0.00 N ATOM 0 H ASN A 63 -4.149 -9.947 -3.972 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.220 -11.821 -2.777 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.062 -12.391 -4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.854 -13.436 -5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.743 -16.073 -3.146 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.326 -15.489 -4.761 1.00 0.00 H new ATOM 922 N SER A 64 -1.637 -11.933 -3.818 1.00 0.00 N ATOM 923 CA SER A 64 -0.281 -12.454 -3.942 1.00 0.00 C ATOM 924 C SER A 64 0.473 -12.325 -2.622 1.00 0.00 C ATOM 925 O SER A 64 -0.086 -11.892 -1.615 1.00 0.00 O ATOM 926 CB SER A 64 0.474 -11.714 -5.048 1.00 0.00 C ATOM 927 OG SER A 64 0.087 -12.179 -6.329 1.00 0.00 O ATOM 0 H SER A 64 -1.688 -10.939 -3.594 1.00 0.00 H new ATOM 0 HA SER A 64 -0.347 -13.511 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.280 -10.644 -4.972 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.547 -11.853 -4.916 1.00 0.00 H new ATOM 0 HG SER A 64 0.582 -11.689 -7.018 1.00 0.00 H new ATOM 933 N SER A 65 1.747 -12.705 -2.636 1.00 0.00 N ATOM 934 CA SER A 65 2.578 -12.636 -1.440 1.00 0.00 C ATOM 935 C SER A 65 3.245 -11.269 -1.320 1.00 0.00 C ATOM 936 O SER A 65 3.530 -10.614 -2.323 1.00 0.00 O ATOM 937 CB SER A 65 3.643 -13.735 -1.469 1.00 0.00 C ATOM 938 OG SER A 65 4.691 -13.405 -2.364 1.00 0.00 O ATOM 0 H SER A 65 2.226 -13.064 -3.462 1.00 0.00 H new ATOM 0 HA SER A 65 1.936 -12.785 -0.572 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.048 -13.880 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.188 -14.679 -1.769 1.00 0.00 H new ATOM 0 HG SER A 65 5.359 -14.122 -2.363 1.00 0.00 H new ATOM 944 N HIS A 66 3.491 -10.844 -0.084 1.00 0.00 N ATOM 945 CA HIS A 66 4.125 -9.555 0.168 1.00 0.00 C ATOM 946 C HIS A 66 5.489 -9.478 -0.511 1.00 0.00 C ATOM 947 O HIS A 66 5.733 -8.598 -1.338 1.00 0.00 O ATOM 948 CB HIS A 66 4.278 -9.325 1.672 1.00 0.00 C ATOM 949 CG HIS A 66 5.155 -8.159 2.013 1.00 0.00 C ATOM 950 ND1 HIS A 66 6.191 -8.237 2.919 1.00 0.00 N ATOM 951 CD2 HIS A 66 5.146 -6.883 1.563 1.00 0.00 C ATOM 952 CE1 HIS A 66 6.781 -7.059 3.013 1.00 0.00 C ATOM 953 NE2 HIS A 66 6.166 -6.219 2.199 1.00 0.00 N ATOM 0 H HIS A 66 3.261 -11.373 0.757 1.00 0.00 H new ATOM 0 HA HIS A 66 3.487 -8.776 -0.249 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.292 -9.168 2.109 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.690 -10.225 2.129 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.463 -6.464 0.838 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.623 -6.823 3.647 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.409 -5.238 2.065 1.00 0.00 H new ATOM 962 N LEU A 67 6.374 -10.403 -0.157 1.00 0.00 N ATOM 963 CA LEU A 67 7.714 -10.439 -0.733 1.00 0.00 C ATOM 964 C LEU A 67 7.682 -10.069 -2.212 1.00 0.00 C ATOM 965 O LEU A 67 8.420 -9.192 -2.658 1.00 0.00 O ATOM 966 CB LEU A 67 8.329 -11.829 -0.556 1.00 0.00 C ATOM 967 CG LEU A 67 9.831 -11.937 -0.821 1.00 0.00 C ATOM 968 CD1 LEU A 67 10.622 -11.496 0.401 1.00 0.00 C ATOM 969 CD2 LEU A 67 10.202 -13.359 -1.214 1.00 0.00 C ATOM 0 H LEU A 67 6.188 -11.138 0.526 1.00 0.00 H new ATOM 0 HA LEU A 67 8.328 -9.707 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.135 -12.163 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.812 -12.520 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 67 10.083 -11.275 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.689 -11.580 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.379 -10.460 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.366 -12.132 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.275 -13.417 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.935 -14.041 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.662 -13.639 -2.119 1.00 0.00 H new ATOM 981 N GLU A 68 6.820 -10.744 -2.967 1.00 0.00 N ATOM 982 CA GLU A 68 6.691 -10.484 -4.396 1.00 0.00 C ATOM 983 C GLU A 68 6.371 -9.015 -4.655 1.00 0.00 C ATOM 984 O GLU A 68 6.944 -8.391 -5.548 1.00 0.00 O ATOM 985 CB GLU A 68 5.601 -11.370 -5.001 1.00 0.00 C ATOM 986 CG GLU A 68 6.037 -12.809 -5.220 1.00 0.00 C ATOM 987 CD GLU A 68 6.813 -12.993 -6.510 1.00 0.00 C ATOM 988 OE1 GLU A 68 7.577 -12.078 -6.880 1.00 0.00 O ATOM 989 OE2 GLU A 68 6.655 -14.055 -7.150 1.00 0.00 O ATOM 0 H GLU A 68 6.202 -11.474 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 68 7.644 -10.719 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.730 -11.359 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.287 -10.945 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.654 -13.130 -4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.158 -13.453 -5.234 1.00 0.00 H new ATOM 996 N VAL A 69 5.450 -8.468 -3.867 1.00 0.00 N ATOM 997 CA VAL A 69 5.052 -7.073 -4.010 1.00 0.00 C ATOM 998 C VAL A 69 6.256 -6.144 -3.899 1.00 0.00 C ATOM 999 O VAL A 69 6.511 -5.331 -4.788 1.00 0.00 O ATOM 1000 CB VAL A 69 4.011 -6.674 -2.948 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.721 -5.182 -3.017 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.734 -7.482 -3.125 1.00 0.00 C ATOM 0 H VAL A 69 4.966 -8.970 -3.123 1.00 0.00 H new ATOM 0 HA VAL A 69 4.607 -6.971 -5.000 1.00 0.00 H new ATOM 0 HB VAL A 69 4.421 -6.894 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.983 -4.919 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.640 -4.624 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.332 -4.932 -4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.009 -7.187 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.319 -7.295 -4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.958 -8.544 -3.020 1.00 0.00 H new ATOM 1012 N VAL A 70 6.995 -6.271 -2.802 1.00 0.00 N ATOM 1013 CA VAL A 70 8.175 -5.444 -2.575 1.00 0.00 C ATOM 1014 C VAL A 70 9.044 -5.371 -3.825 1.00 0.00 C ATOM 1015 O VAL A 70 9.267 -4.293 -4.377 1.00 0.00 O ATOM 1016 CB VAL A 70 9.021 -5.983 -1.406 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.267 -5.132 -1.212 1.00 0.00 C ATOM 1018 CG2 VAL A 70 8.195 -6.033 -0.129 1.00 0.00 C ATOM 0 H VAL A 70 6.798 -6.938 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 70 7.818 -4.445 -2.326 1.00 0.00 H new ATOM 0 HB VAL A 70 9.337 -6.998 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.852 -5.528 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.867 -5.153 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.976 -4.105 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.809 -6.416 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.847 -5.030 0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.337 -6.689 -0.276 1.00 0.00 H new ATOM 1028 N LYS A 71 9.531 -6.524 -4.269 1.00 0.00 N ATOM 1029 CA LYS A 71 10.375 -6.593 -5.456 1.00 0.00 C ATOM 1030 C LYS A 71 9.944 -5.558 -6.490 1.00 0.00 C ATOM 1031 O LYS A 71 10.781 -4.926 -7.137 1.00 0.00 O ATOM 1032 CB LYS A 71 10.317 -7.995 -6.068 1.00 0.00 C ATOM 1033 CG LYS A 71 11.601 -8.406 -6.767 1.00 0.00 C ATOM 1034 CD LYS A 71 11.336 -9.417 -7.870 1.00 0.00 C ATOM 1035 CE LYS A 71 12.624 -10.068 -8.351 1.00 0.00 C ATOM 1036 NZ LYS A 71 13.435 -9.140 -9.187 1.00 0.00 N ATOM 0 H LYS A 71 9.356 -7.425 -3.824 1.00 0.00 H new ATOM 0 HA LYS A 71 11.400 -6.377 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.094 -8.717 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.495 -8.037 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.085 -7.525 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.292 -8.832 -6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.653 -10.185 -7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.842 -8.923 -8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.212 -10.390 -7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.386 -10.962 -8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.304 -9.620 -9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.884 -8.852 -10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.684 -8.298 -8.629 1.00 0.00 H new ATOM 1050 N LEU A 72 8.636 -5.387 -6.640 1.00 0.00 N ATOM 1051 CA LEU A 72 8.094 -4.427 -7.595 1.00 0.00 C ATOM 1052 C LEU A 72 8.359 -2.996 -7.138 1.00 0.00 C ATOM 1053 O LEU A 72 8.817 -2.160 -7.918 1.00 0.00 O ATOM 1054 CB LEU A 72 6.590 -4.647 -7.773 1.00 0.00 C ATOM 1055 CG LEU A 72 6.162 -6.058 -8.178 1.00 0.00 C ATOM 1056 CD1 LEU A 72 4.660 -6.227 -8.013 1.00 0.00 C ATOM 1057 CD2 LEU A 72 6.579 -6.350 -9.612 1.00 0.00 C ATOM 0 H LEU A 72 7.930 -5.901 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 72 8.593 -4.582 -8.551 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.092 -4.392 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.227 -3.948 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 72 6.662 -6.772 -7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.373 -7.237 -8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.387 -6.060 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.141 -5.505 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.267 -7.358 -9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.107 -5.631 -10.282 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.663 -6.270 -9.699 1.00 0.00 H new ATOM 1069 N ILE A 73 8.071 -2.722 -5.870 1.00 0.00 N ATOM 1070 CA ILE A 73 8.282 -1.393 -5.309 1.00 0.00 C ATOM 1071 C ILE A 73 9.754 -1.001 -5.364 1.00 0.00 C ATOM 1072 O ILE A 73 10.095 0.129 -5.716 1.00 0.00 O ATOM 1073 CB ILE A 73 7.795 -1.315 -3.850 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.273 -1.466 -3.788 1.00 0.00 C ATOM 1075 CG2 ILE A 73 8.228 -0.001 -3.217 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.771 -1.987 -2.460 1.00 0.00 C ATOM 0 H ILE A 73 7.691 -3.402 -5.212 1.00 0.00 H new ATOM 0 HA ILE A 73 7.701 -0.698 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 73 8.246 -2.133 -3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.812 -0.499 -3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.951 -2.142 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.876 0.039 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.316 0.069 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.803 0.831 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.684 -2.069 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.204 -2.969 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.063 -1.300 -1.666 1.00 0.00 H new ATOM 1088 N LYS A 74 10.625 -1.942 -5.015 1.00 0.00 N ATOM 1089 CA LYS A 74 12.062 -1.697 -5.026 1.00 0.00 C ATOM 1090 C LYS A 74 12.665 -2.059 -6.380 1.00 0.00 C ATOM 1091 O LYS A 74 13.694 -2.730 -6.452 1.00 0.00 O ATOM 1092 CB LYS A 74 12.746 -2.503 -3.920 1.00 0.00 C ATOM 1093 CG LYS A 74 12.546 -4.003 -4.047 1.00 0.00 C ATOM 1094 CD LYS A 74 13.552 -4.773 -3.208 1.00 0.00 C ATOM 1095 CE LYS A 74 14.851 -5.001 -3.966 1.00 0.00 C ATOM 1096 NZ LYS A 74 14.755 -6.162 -4.894 1.00 0.00 N ATOM 0 H LYS A 74 10.360 -2.882 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 74 12.226 -0.634 -4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.814 -2.285 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.364 -2.175 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.535 -4.264 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.642 -4.297 -5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.757 -4.224 -2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.126 -5.733 -2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.104 -4.104 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.661 -5.169 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.660 -6.284 -5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.539 -7.023 -4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.999 -5.991 -5.587 1.00 0.00 H new ATOM 1110 N SER A 75 12.018 -1.609 -7.450 1.00 0.00 N ATOM 1111 CA SER A 75 12.489 -1.887 -8.802 1.00 0.00 C ATOM 1112 C SER A 75 13.116 -0.644 -9.426 1.00 0.00 C ATOM 1113 O SER A 75 14.257 -0.674 -9.883 1.00 0.00 O ATOM 1114 CB SER A 75 11.334 -2.383 -9.675 1.00 0.00 C ATOM 1115 OG SER A 75 11.759 -2.596 -11.010 1.00 0.00 O ATOM 0 H SER A 75 11.166 -1.050 -7.407 1.00 0.00 H new ATOM 0 HA SER A 75 13.250 -2.665 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.936 -3.311 -9.264 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.524 -1.654 -9.660 1.00 0.00 H new ATOM 0 HG SER A 75 11.003 -2.914 -11.547 1.00 0.00 H new ATOM 1121 N GLY A 76 12.359 0.449 -9.440 1.00 0.00 N ATOM 1122 CA GLY A 76 12.856 1.688 -10.009 1.00 0.00 C ATOM 1123 C GLY A 76 12.750 2.853 -9.046 1.00 0.00 C ATOM 1124 O GLY A 76 12.363 2.678 -7.890 1.00 0.00 O ATOM 0 H GLY A 76 11.411 0.498 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.898 1.557 -10.302 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.296 1.918 -10.915 1.00 0.00 H new ATOM 1128 N ALA A 77 13.095 4.045 -9.521 1.00 0.00 N ATOM 1129 CA ALA A 77 13.036 5.244 -8.693 1.00 0.00 C ATOM 1130 C ALA A 77 11.728 5.307 -7.911 1.00 0.00 C ATOM 1131 O ALA A 77 11.732 5.418 -6.685 1.00 0.00 O ATOM 1132 CB ALA A 77 13.199 6.488 -9.554 1.00 0.00 C ATOM 0 H ALA A 77 13.418 4.207 -10.475 1.00 0.00 H new ATOM 0 HA ALA A 77 13.856 5.202 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.153 7.376 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.162 6.454 -10.063 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.399 6.526 -10.293 1.00 0.00 H new ATOM 1138 N TYR A 78 10.612 5.236 -8.628 1.00 0.00 N ATOM 1139 CA TYR A 78 9.297 5.289 -8.001 1.00 0.00 C ATOM 1140 C TYR A 78 8.487 4.038 -8.328 1.00 0.00 C ATOM 1141 O TYR A 78 8.965 3.137 -9.017 1.00 0.00 O ATOM 1142 CB TYR A 78 8.539 6.536 -8.460 1.00 0.00 C ATOM 1143 CG TYR A 78 8.614 6.775 -9.951 1.00 0.00 C ATOM 1144 CD1 TYR A 78 8.264 5.778 -10.852 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.036 7.998 -10.458 1.00 0.00 C ATOM 1146 CE1 TYR A 78 8.331 5.991 -12.216 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.105 8.221 -11.819 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.752 7.215 -12.694 1.00 0.00 C ATOM 1149 OH TYR A 78 8.821 7.432 -14.051 1.00 0.00 O ATOM 0 H TYR A 78 10.592 5.142 -9.643 1.00 0.00 H new ATOM 0 HA TYR A 78 9.439 5.336 -6.921 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.493 6.443 -8.167 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.940 7.406 -7.940 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.934 4.819 -10.480 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.315 8.788 -9.776 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.056 5.205 -12.903 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.434 9.178 -12.196 1.00 0.00 H new ATOM 0 HH TYR A 78 9.135 8.345 -14.221 1.00 0.00 H new ATOM 1159 N VAL A 79 7.255 3.991 -7.830 1.00 0.00 N ATOM 1160 CA VAL A 79 6.376 2.853 -8.071 1.00 0.00 C ATOM 1161 C VAL A 79 4.917 3.290 -8.133 1.00 0.00 C ATOM 1162 O VAL A 79 4.447 4.045 -7.283 1.00 0.00 O ATOM 1163 CB VAL A 79 6.533 1.782 -6.976 1.00 0.00 C ATOM 1164 CG1 VAL A 79 6.316 2.389 -5.598 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.570 0.629 -7.217 1.00 0.00 C ATOM 0 H VAL A 79 6.843 4.728 -7.257 1.00 0.00 H new ATOM 0 HA VAL A 79 6.666 2.426 -9.031 1.00 0.00 H new ATOM 0 HB VAL A 79 7.550 1.392 -7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.431 1.616 -4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.049 3.177 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.312 2.809 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.695 -0.119 -6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.546 1.002 -7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.779 0.177 -8.187 1.00 0.00 H new ATOM 1175 N ALA A 80 4.204 2.809 -9.146 1.00 0.00 N ATOM 1176 CA ALA A 80 2.796 3.147 -9.319 1.00 0.00 C ATOM 1177 C ALA A 80 1.901 2.176 -8.557 1.00 0.00 C ATOM 1178 O ALA A 80 2.034 0.959 -8.689 1.00 0.00 O ATOM 1179 CB ALA A 80 2.433 3.154 -10.796 1.00 0.00 C ATOM 0 H ALA A 80 4.578 2.184 -9.860 1.00 0.00 H new ATOM 0 HA ALA A 80 2.634 4.145 -8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.379 3.408 -10.910 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.043 3.892 -11.317 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.617 2.167 -11.220 1.00 0.00 H new ATOM 1185 N LEU A 81 0.990 2.721 -7.759 1.00 0.00 N ATOM 1186 CA LEU A 81 0.072 1.903 -6.974 1.00 0.00 C ATOM 1187 C LEU A 81 -1.376 2.304 -7.237 1.00 0.00 C ATOM 1188 O LEU A 81 -1.703 3.490 -7.297 1.00 0.00 O ATOM 1189 CB LEU A 81 0.387 2.035 -5.483 1.00 0.00 C ATOM 1190 CG LEU A 81 1.819 1.697 -5.067 1.00 0.00 C ATOM 1191 CD1 LEU A 81 2.028 1.987 -3.589 1.00 0.00 C ATOM 1192 CD2 LEU A 81 2.135 0.241 -5.377 1.00 0.00 C ATOM 0 H LEU A 81 0.867 3.726 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 81 0.202 0.864 -7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.173 3.059 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.293 1.388 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 81 2.501 2.326 -5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.053 1.740 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.844 3.044 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.337 1.385 -2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.158 0.018 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.447 -0.405 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.027 0.065 -6.447 1.00 0.00 H new ATOM 1204 N THR A 82 -2.243 1.308 -7.391 1.00 0.00 N ATOM 1205 CA THR A 82 -3.656 1.556 -7.646 1.00 0.00 C ATOM 1206 C THR A 82 -4.490 1.323 -6.391 1.00 0.00 C ATOM 1207 O THR A 82 -4.884 0.194 -6.096 1.00 0.00 O ATOM 1208 CB THR A 82 -4.189 0.657 -8.777 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.340 0.760 -9.926 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.610 1.047 -9.154 1.00 0.00 C ATOM 0 H THR A 82 -1.990 0.321 -7.343 1.00 0.00 H new ATOM 0 HA THR A 82 -3.744 2.599 -7.949 1.00 0.00 H new ATOM 0 HB THR A 82 -4.194 -0.373 -8.421 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.685 0.184 -10.640 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.965 0.398 -9.955 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.259 0.940 -8.285 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.625 2.083 -9.493 1.00 0.00 H new ATOM 1218 N LEU A 83 -4.756 2.397 -5.656 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.546 2.310 -4.432 1.00 0.00 C ATOM 1220 C LEU A 83 -7.031 2.494 -4.728 1.00 0.00 C ATOM 1221 O LEU A 83 -7.414 3.342 -5.535 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.080 3.363 -3.426 1.00 0.00 C ATOM 1223 CG LEU A 83 -3.568 3.489 -3.238 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.234 4.714 -2.401 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.003 2.231 -2.594 1.00 0.00 C ATOM 0 H LEU A 83 -4.437 3.338 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.400 1.318 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.469 4.332 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.529 3.136 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.109 3.608 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.153 4.787 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.603 5.609 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.705 4.625 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.926 2.339 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.469 2.080 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.209 1.372 -3.232 1.00 0.00 H new ATOM 1237 N LEU A 84 -7.863 1.697 -4.068 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.308 1.773 -4.257 1.00 0.00 C ATOM 1239 C LEU A 84 -9.964 2.562 -3.129 1.00 0.00 C ATOM 1240 O LEU A 84 -9.518 2.514 -1.983 1.00 0.00 O ATOM 1241 CB LEU A 84 -9.907 0.368 -4.329 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.259 0.250 -5.034 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -11.066 0.039 -6.528 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -12.076 -0.886 -4.435 1.00 0.00 C ATOM 0 H LEU A 84 -7.562 0.990 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.500 2.291 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.196 -0.283 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.015 -0.012 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.806 1.181 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.039 -0.043 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.521 0.885 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.499 -0.877 -6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.035 -0.955 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.534 -1.824 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.245 -0.693 -3.376 1.00 0.00 H new