USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 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 96 LYS NZ :NH3+ -124:sc= 0.62 (180deg=-0.345) USER MOD Set 1.2: A 100 GLN : amide:sc= 0.355 K(o=0.98,f=-7.4!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0456 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 35:sc= 0.0748 USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.26) USER MOD Single : A 89 ASN : amide:sc= -0.267 K(o=-0.27,f=-5.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0996 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.33 K(o=-0.33,f=-3!) USER MOD Single : A 107 ASN : amide:sc= 0.155 X(o=0.16,f=-0.016) USER MOD Single : A 108 SER OG : rot 75:sc= -0.0497 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 63:sc= 0.0586 USER MOD Single : A 115 SER OG : rot -54:sc= -0.762 USER MOD Single : A 117 MET CE :methyl 173:sc= -2.55! (180deg=-2.66!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.432 -11.503 6.547 1.00 0.00 N ATOM 70 CA PRO A 9 -11.327 -10.599 6.283 1.00 0.00 C ATOM 71 C PRO A 9 -10.252 -10.717 7.365 1.00 0.00 C ATOM 72 O PRO A 9 -10.568 -10.851 8.545 1.00 0.00 O ATOM 73 CB PRO A 9 -11.956 -9.216 6.218 1.00 0.00 C ATOM 74 CG PRO A 9 -13.307 -9.340 6.905 1.00 0.00 C ATOM 75 CD PRO A 9 -13.620 -10.821 7.051 1.00 0.00 C ATOM 0 HA PRO A 9 -10.808 -10.829 5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.329 -8.478 6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.072 -8.888 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.285 -8.856 7.881 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.080 -8.842 6.320 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.816 -11.084 8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.507 -11.096 6.480 1.00 0.00 H new ATOM 80 N LYS A 10 -9.004 -10.659 6.923 1.00 0.00 N ATOM 81 CA LYS A 10 -7.881 -10.758 7.840 1.00 0.00 C ATOM 82 C LYS A 10 -7.528 -9.364 8.358 1.00 0.00 C ATOM 83 O LYS A 10 -7.622 -8.381 7.624 1.00 0.00 O ATOM 84 CB LYS A 10 -6.708 -11.482 7.174 1.00 0.00 C ATOM 85 CG LYS A 10 -5.408 -11.241 7.942 1.00 0.00 C ATOM 86 CD LYS A 10 -5.369 -12.069 9.228 1.00 0.00 C ATOM 87 CE LYS A 10 -3.981 -12.672 9.450 1.00 0.00 C ATOM 88 NZ LYS A 10 -4.036 -13.738 10.475 1.00 0.00 N ATOM 0 H LYS A 10 -8.746 -10.545 5.943 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.148 -11.363 8.707 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.915 -12.551 7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.597 -11.135 6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.556 -11.500 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.315 -10.182 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.636 -11.441 10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.111 -12.866 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.601 -13.080 8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.286 -11.893 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.085 -14.136 10.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.378 -13.339 11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.683 -14.489 10.161 1.00 0.00 H new ATOM 98 N THR A 11 -7.128 -9.320 9.621 1.00 0.00 N ATOM 99 CA THR A 11 -6.761 -8.061 10.246 1.00 0.00 C ATOM 100 C THR A 11 -5.442 -8.210 11.009 1.00 0.00 C ATOM 101 O THR A 11 -5.218 -9.218 11.678 1.00 0.00 O ATOM 102 CB THR A 11 -7.927 -7.613 11.130 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.033 -7.542 10.236 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.760 -6.180 11.636 1.00 0.00 C ATOM 0 H THR A 11 -7.050 -10.136 10.228 1.00 0.00 H new ATOM 0 HA THR A 11 -6.584 -7.286 9.500 1.00 0.00 H new ATOM 0 HB THR A 11 -8.019 -8.288 11.981 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.833 -7.260 10.727 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.614 -5.912 12.258 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.845 -6.106 12.224 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.702 -5.499 10.787 1.00 0.00 H new ATOM 112 N VAL A 12 -4.604 -7.191 10.883 1.00 0.00 N ATOM 113 CA VAL A 12 -3.314 -7.196 11.552 1.00 0.00 C ATOM 114 C VAL A 12 -3.040 -5.807 12.133 1.00 0.00 C ATOM 115 O VAL A 12 -3.162 -4.802 11.430 1.00 0.00 O ATOM 116 CB VAL A 12 -2.225 -7.667 10.586 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.051 -9.184 10.653 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.527 -7.212 9.157 1.00 0.00 C ATOM 0 H VAL A 12 -4.793 -6.357 10.328 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.318 -7.901 12.384 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.284 -7.209 10.892 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.271 -9.492 9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.769 -9.473 11.665 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.989 -9.670 10.385 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.738 -7.560 8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.482 -7.628 8.837 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.576 -6.124 9.124 1.00 0.00 H new ATOM 128 N THR A 13 -2.675 -5.793 13.405 1.00 0.00 N ATOM 129 CA THR A 13 -2.383 -4.544 14.086 1.00 0.00 C ATOM 130 C THR A 13 -0.871 -4.354 14.227 1.00 0.00 C ATOM 131 O THR A 13 -0.143 -5.312 14.478 1.00 0.00 O ATOM 132 CB THR A 13 -3.122 -4.552 15.427 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.466 -4.872 15.080 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.219 -3.158 16.050 1.00 0.00 C ATOM 0 H THR A 13 -2.575 -6.627 13.983 1.00 0.00 H new ATOM 0 HA THR A 13 -2.734 -3.688 13.510 1.00 0.00 H new ATOM 0 HB THR A 13 -2.613 -5.224 16.118 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.015 -4.900 15.891 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.752 -3.220 16.999 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.217 -2.766 16.222 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.758 -2.494 15.374 1.00 0.00 H new ATOM 142 N LEU A 14 -0.445 -3.110 14.061 1.00 0.00 N ATOM 143 CA LEU A 14 0.967 -2.783 14.165 1.00 0.00 C ATOM 144 C LEU A 14 1.139 -1.580 15.096 1.00 0.00 C ATOM 145 O LEU A 14 0.254 -0.731 15.187 1.00 0.00 O ATOM 146 CB LEU A 14 1.574 -2.578 12.777 1.00 0.00 C ATOM 147 CG LEU A 14 1.499 -3.776 11.828 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.140 -3.838 11.129 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.658 -3.758 10.829 1.00 0.00 C ATOM 0 H LEU A 14 -1.053 -2.317 13.855 1.00 0.00 H new ATOM 0 HA LEU A 14 1.519 -3.612 14.608 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.073 -1.733 12.304 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.621 -2.300 12.898 1.00 0.00 H new ATOM 0 HG LEU A 14 1.598 -4.686 12.419 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.114 -4.699 10.460 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.649 -3.934 11.875 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.015 -2.926 10.553 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.581 -4.620 10.167 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.616 -2.842 10.239 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.604 -3.799 11.369 1.00 0.00 H new ATOM 160 N LYS A 15 2.284 -1.547 15.762 1.00 0.00 N ATOM 161 CA LYS A 15 2.583 -0.462 16.681 1.00 0.00 C ATOM 162 C LYS A 15 3.698 0.404 16.095 1.00 0.00 C ATOM 163 O LYS A 15 4.708 -0.113 15.621 1.00 0.00 O ATOM 164 CB LYS A 15 2.900 -1.012 18.074 1.00 0.00 C ATOM 165 CG LYS A 15 1.772 -1.918 18.575 1.00 0.00 C ATOM 166 CD LYS A 15 1.273 -1.464 19.948 1.00 0.00 C ATOM 167 CE LYS A 15 0.576 -2.609 20.685 1.00 0.00 C ATOM 168 NZ LYS A 15 0.866 -2.545 22.134 1.00 0.00 N ATOM 0 H LYS A 15 3.015 -2.254 15.684 1.00 0.00 H new ATOM 0 HA LYS A 15 1.712 0.181 16.807 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.835 -1.572 18.044 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.045 -0.186 18.771 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.947 -1.906 17.862 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.127 -2.947 18.635 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.112 -1.102 20.542 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.582 -0.629 19.830 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.500 -2.553 20.521 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.911 -3.565 20.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.385 -3.329 22.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.892 -2.620 22.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.525 -1.640 22.517 1.00 0.00 H new ATOM 178 N ARG A 16 3.479 1.711 16.146 1.00 0.00 N ATOM 179 CA ARG A 16 4.453 2.654 15.626 1.00 0.00 C ATOM 180 C ARG A 16 5.816 2.426 16.282 1.00 0.00 C ATOM 181 O ARG A 16 5.982 2.663 17.477 1.00 0.00 O ATOM 182 CB ARG A 16 4.010 4.097 15.875 1.00 0.00 C ATOM 183 CG ARG A 16 4.966 5.087 15.205 1.00 0.00 C ATOM 184 CD ARG A 16 4.198 6.091 14.342 1.00 0.00 C ATOM 185 NE ARG A 16 5.028 7.292 14.103 1.00 0.00 N ATOM 186 CZ ARG A 16 4.546 8.466 13.672 1.00 0.00 C ATOM 187 NH1 ARG A 16 3.234 8.602 13.427 1.00 0.00 N ATOM 188 NH2 ARG A 16 5.373 9.503 13.483 1.00 0.00 N ATOM 0 H ARG A 16 2.641 2.138 16.540 1.00 0.00 H new ATOM 0 HA ARG A 16 4.531 2.490 14.551 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.001 4.243 15.490 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.973 4.290 16.947 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.537 5.618 15.966 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.683 4.545 14.588 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.925 5.632 13.392 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.269 6.373 14.838 1.00 0.00 H new ATOM 0 HE ARG A 16 6.031 7.222 14.277 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.604 7.812 13.569 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.866 9.495 13.099 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.371 9.400 13.667 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.005 10.396 13.155 1.00 0.00 H new ATOM 264 N GLY A 22 8.089 -2.310 10.408 1.00 0.00 N ATOM 265 CA GLY A 22 8.670 -3.598 10.068 1.00 0.00 C ATOM 266 C GLY A 22 8.565 -3.867 8.565 1.00 0.00 C ATOM 267 O GLY A 22 9.551 -3.750 7.839 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.716 -3.621 10.373 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.160 -4.388 10.619 1.00 0.00 H new ATOM 271 N PHE A 23 7.360 -4.222 8.143 1.00 0.00 N ATOM 272 CA PHE A 23 7.114 -4.508 6.740 1.00 0.00 C ATOM 273 C PHE A 23 7.265 -3.248 5.887 1.00 0.00 C ATOM 274 O PHE A 23 7.586 -2.179 6.405 1.00 0.00 O ATOM 275 CB PHE A 23 5.672 -5.011 6.633 1.00 0.00 C ATOM 276 CG PHE A 23 4.633 -3.897 6.490 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.397 -3.051 7.528 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.946 -3.754 5.325 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.432 -2.017 7.395 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.982 -2.719 5.192 1.00 0.00 C ATOM 281 CZ PHE A 23 2.746 -1.872 6.230 1.00 0.00 C ATOM 0 H PHE A 23 6.544 -4.318 8.748 1.00 0.00 H new ATOM 0 HA PHE A 23 7.832 -5.245 6.380 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.594 -5.679 5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.437 -5.601 7.519 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.943 -3.165 8.453 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.133 -4.427 4.501 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.243 -1.346 8.220 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.437 -2.605 4.267 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.014 -1.085 6.129 1.00 0.00 H new ATOM 290 N THR A 24 7.029 -3.413 4.594 1.00 0.00 N ATOM 291 CA THR A 24 7.136 -2.302 3.665 1.00 0.00 C ATOM 292 C THR A 24 6.316 -2.580 2.403 1.00 0.00 C ATOM 293 O THR A 24 5.918 -3.719 2.156 1.00 0.00 O ATOM 294 CB THR A 24 8.620 -2.061 3.384 1.00 0.00 C ATOM 295 OG1 THR A 24 8.623 -1.058 2.370 1.00 0.00 O ATOM 296 CG2 THR A 24 9.293 -3.264 2.722 1.00 0.00 C ATOM 0 H THR A 24 6.764 -4.301 4.168 1.00 0.00 H new ATOM 0 HA THR A 24 6.719 -1.390 4.091 1.00 0.00 H new ATOM 0 HB THR A 24 9.133 -1.827 4.317 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.547 -0.840 2.128 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.345 -3.040 2.544 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.212 -4.132 3.376 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.802 -3.479 1.773 1.00 0.00 H new ATOM 304 N LEU A 25 6.089 -1.523 1.638 1.00 0.00 N ATOM 305 CA LEU A 25 5.324 -1.639 0.408 1.00 0.00 C ATOM 306 C LEU A 25 6.265 -1.493 -0.789 1.00 0.00 C ATOM 307 O LEU A 25 7.471 -1.315 -0.617 1.00 0.00 O ATOM 308 CB LEU A 25 4.163 -0.643 0.403 1.00 0.00 C ATOM 309 CG LEU A 25 3.083 -0.866 1.463 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.895 -2.357 1.749 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.388 -0.072 2.734 1.00 0.00 C ATOM 0 H LEU A 25 6.422 -0.581 1.846 1.00 0.00 H new ATOM 0 HA LEU A 25 4.867 -2.626 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.570 0.360 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.691 -0.670 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 25 2.138 -0.492 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.122 -2.488 2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.597 -2.868 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.832 -2.779 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.604 -0.249 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.347 -0.391 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.430 0.991 2.498 1.00 0.00 H new ATOM 322 N ARG A 26 5.681 -1.576 -1.975 1.00 0.00 N ATOM 323 CA ARG A 26 6.453 -1.455 -3.199 1.00 0.00 C ATOM 324 C ARG A 26 6.096 -0.156 -3.926 1.00 0.00 C ATOM 325 O ARG A 26 4.920 0.171 -4.078 1.00 0.00 O ATOM 326 CB ARG A 26 6.196 -2.640 -4.131 1.00 0.00 C ATOM 327 CG ARG A 26 7.376 -3.614 -4.119 1.00 0.00 C ATOM 328 CD ARG A 26 8.142 -3.566 -5.442 1.00 0.00 C ATOM 329 NE ARG A 26 7.594 -4.573 -6.380 1.00 0.00 N ATOM 330 CZ ARG A 26 7.750 -5.895 -6.237 1.00 0.00 C ATOM 331 NH1 ARG A 26 8.437 -6.381 -5.194 1.00 0.00 N ATOM 332 NH2 ARG A 26 7.219 -6.734 -7.138 1.00 0.00 N ATOM 0 H ARG A 26 4.682 -1.726 -2.114 1.00 0.00 H new ATOM 0 HA ARG A 26 7.508 -1.444 -2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.288 -3.159 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.028 -2.279 -5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.048 -3.367 -3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.014 -4.627 -3.941 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.067 -2.570 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.200 -3.758 -5.266 1.00 0.00 H new ATOM 0 HE ARG A 26 7.065 -4.238 -7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.842 -5.744 -4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.555 -7.388 -5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.696 -6.365 -7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.338 -7.741 -7.029 1.00 0.00 H new ATOM 862 N ILE A 63 -1.742 -2.859 -3.384 1.00 0.00 N ATOM 863 CA ILE A 63 -0.556 -2.391 -2.686 1.00 0.00 C ATOM 864 C ILE A 63 0.489 -3.509 -2.658 1.00 0.00 C ATOM 865 O ILE A 63 1.618 -3.321 -3.107 1.00 0.00 O ATOM 866 CB ILE A 63 -0.923 -1.859 -1.300 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.422 -0.414 -1.382 1.00 0.00 C ATOM 868 CG2 ILE A 63 0.247 -2.007 -0.326 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.877 -0.310 -0.920 1.00 0.00 C ATOM 0 HA ILE A 63 -0.110 -1.550 -3.217 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.743 -2.462 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.794 0.227 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.335 -0.053 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.042 -1.621 0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.514 -3.060 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.104 -1.446 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.207 0.727 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.506 -0.934 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.956 -0.649 0.113 1.00 0.00 H new ATOM 880 N PHE A 64 0.073 -4.650 -2.126 1.00 0.00 N ATOM 881 CA PHE A 64 0.958 -5.798 -2.033 1.00 0.00 C ATOM 882 C PHE A 64 2.179 -5.482 -1.167 1.00 0.00 C ATOM 883 O PHE A 64 2.795 -4.428 -1.317 1.00 0.00 O ATOM 884 CB PHE A 64 1.426 -6.118 -3.455 1.00 0.00 C ATOM 885 CG PHE A 64 0.825 -7.400 -4.034 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.393 -7.369 -4.638 1.00 0.00 C ATOM 887 CD2 PHE A 64 1.509 -8.572 -3.945 1.00 0.00 C ATOM 888 CE1 PHE A 64 -0.951 -8.559 -5.177 1.00 0.00 C ATOM 889 CE2 PHE A 64 0.952 -9.763 -4.483 1.00 0.00 C ATOM 890 CZ PHE A 64 -0.266 -9.730 -5.087 1.00 0.00 C ATOM 0 H PHE A 64 -0.865 -4.803 -1.755 1.00 0.00 H new ATOM 0 HA PHE A 64 0.431 -6.637 -1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.171 -5.283 -4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.513 -6.205 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.937 -6.439 -4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.476 -8.597 -3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.918 -8.534 -5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.495 -10.694 -4.412 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.690 -10.635 -5.496 1.00 0.00 H new ATOM 899 N VAL A 65 2.490 -6.414 -0.278 1.00 0.00 N ATOM 900 CA VAL A 65 3.625 -6.248 0.614 1.00 0.00 C ATOM 901 C VAL A 65 4.910 -6.621 -0.129 1.00 0.00 C ATOM 902 O VAL A 65 4.861 -7.277 -1.169 1.00 0.00 O ATOM 903 CB VAL A 65 3.413 -7.066 1.889 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.712 -7.183 2.687 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.297 -6.464 2.745 1.00 0.00 C ATOM 0 H VAL A 65 1.976 -7.286 -0.156 1.00 0.00 H new ATOM 0 HA VAL A 65 3.718 -5.207 0.924 1.00 0.00 H new ATOM 0 HB VAL A 65 3.108 -8.071 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.534 -7.769 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.470 -7.675 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.060 -6.188 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.166 -7.064 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.562 -5.444 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.367 -6.455 2.176 1.00 0.00 H new ATOM 915 N LYS A 66 6.028 -6.189 0.433 1.00 0.00 N ATOM 916 CA LYS A 66 7.323 -6.471 -0.163 1.00 0.00 C ATOM 917 C LYS A 66 8.108 -7.412 0.754 1.00 0.00 C ATOM 918 O LYS A 66 8.438 -8.531 0.364 1.00 0.00 O ATOM 919 CB LYS A 66 8.061 -5.169 -0.481 1.00 0.00 C ATOM 920 CG LYS A 66 9.416 -5.450 -1.135 1.00 0.00 C ATOM 921 CD LYS A 66 10.522 -4.622 -0.480 1.00 0.00 C ATOM 922 CE LYS A 66 11.897 -5.243 -0.739 1.00 0.00 C ATOM 923 NZ LYS A 66 12.564 -4.569 -1.875 1.00 0.00 N ATOM 0 H LYS A 66 6.065 -5.645 1.295 1.00 0.00 H new ATOM 0 HA LYS A 66 7.199 -6.983 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.453 -4.556 -1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.207 -4.597 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.652 -6.511 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.365 -5.219 -2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.499 -3.604 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.345 -4.556 0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.515 -5.159 0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.788 -6.306 -0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.495 -5.002 -2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.981 -4.671 -2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.685 -3.559 -1.657 1.00 0.00 H new ATOM 933 N GLN A 67 8.383 -6.924 1.956 1.00 0.00 N ATOM 934 CA GLN A 67 9.123 -7.707 2.930 1.00 0.00 C ATOM 935 C GLN A 67 8.554 -7.483 4.332 1.00 0.00 C ATOM 936 O GLN A 67 7.717 -6.605 4.534 1.00 0.00 O ATOM 937 CB GLN A 67 10.616 -7.373 2.884 1.00 0.00 C ATOM 938 CG GLN A 67 11.348 -8.280 1.892 1.00 0.00 C ATOM 939 CD GLN A 67 12.651 -8.812 2.496 1.00 0.00 C ATOM 940 OE1 GLN A 67 12.678 -9.811 3.196 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.724 -8.089 2.189 1.00 0.00 N ATOM 0 H GLN A 67 8.106 -5.996 2.276 1.00 0.00 H new ATOM 0 HA GLN A 67 9.013 -8.762 2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.751 -6.330 2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.050 -7.489 3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.705 -9.114 1.613 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.565 -7.726 0.979 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.630 -7.263 1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.641 -8.360 2.545 1.00 0.00 H new ATOM 948 N VAL A 68 9.032 -8.292 5.267 1.00 0.00 N ATOM 949 CA VAL A 68 8.581 -8.193 6.645 1.00 0.00 C ATOM 950 C VAL A 68 9.787 -8.302 7.580 1.00 0.00 C ATOM 951 O VAL A 68 10.404 -9.362 7.682 1.00 0.00 O ATOM 952 CB VAL A 68 7.511 -9.250 6.923 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.237 -9.371 8.423 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.224 -8.944 6.154 1.00 0.00 C ATOM 0 H VAL A 68 9.727 -9.019 5.097 1.00 0.00 H new ATOM 0 HA VAL A 68 8.115 -7.224 6.826 1.00 0.00 H new ATOM 0 HB VAL A 68 7.890 -10.210 6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.473 -10.129 8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.154 -9.658 8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.889 -8.412 8.808 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.480 -9.711 6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.840 -7.970 6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.433 -8.932 5.084 1.00 0.00 H new ATOM 964 N LYS A 69 10.087 -7.193 8.240 1.00 0.00 N ATOM 965 CA LYS A 69 11.208 -7.152 9.163 1.00 0.00 C ATOM 966 C LYS A 69 11.182 -8.400 10.047 1.00 0.00 C ATOM 967 O LYS A 69 10.150 -9.058 10.167 1.00 0.00 O ATOM 968 CB LYS A 69 11.205 -5.840 9.951 1.00 0.00 C ATOM 969 CG LYS A 69 12.632 -5.386 10.267 1.00 0.00 C ATOM 970 CD LYS A 69 12.659 -3.918 10.693 1.00 0.00 C ATOM 971 CE LYS A 69 14.095 -3.416 10.843 1.00 0.00 C ATOM 972 NZ LYS A 69 14.661 -3.058 9.523 1.00 0.00 N ATOM 0 H LYS A 69 9.573 -6.316 8.154 1.00 0.00 H new ATOM 0 HA LYS A 69 12.151 -7.168 8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.693 -5.068 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.647 -5.970 10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.047 -6.006 11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.264 -5.525 9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.134 -3.312 9.955 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.129 -3.800 11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.116 -2.548 11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.708 -4.186 11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.637 -2.719 9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.659 -3.895 8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.085 -2.308 9.090 1.00 0.00 H new ATOM 982 N GLU A 70 12.330 -8.686 10.644 1.00 0.00 N ATOM 983 CA GLU A 70 12.450 -9.845 11.514 1.00 0.00 C ATOM 984 C GLU A 70 12.553 -9.403 12.974 1.00 0.00 C ATOM 985 O GLU A 70 13.648 -9.163 13.481 1.00 0.00 O ATOM 986 CB GLU A 70 13.652 -10.705 11.117 1.00 0.00 C ATOM 987 CG GLU A 70 13.281 -12.189 11.096 1.00 0.00 C ATOM 988 CD GLU A 70 14.421 -13.048 11.646 1.00 0.00 C ATOM 989 OE1 GLU A 70 15.559 -12.853 11.167 1.00 0.00 O ATOM 990 OE2 GLU A 70 14.129 -13.879 12.533 1.00 0.00 O ATOM 0 H GLU A 70 13.184 -8.137 10.543 1.00 0.00 H new ATOM 0 HA GLU A 70 11.554 -10.455 11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.011 -10.402 10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.469 -10.541 11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.381 -12.351 11.689 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.050 -12.495 10.076 1.00 0.00 H new ATOM 995 N GLY A 71 11.395 -9.308 13.613 1.00 0.00 N ATOM 996 CA GLY A 71 11.339 -8.899 15.006 1.00 0.00 C ATOM 997 C GLY A 71 10.685 -7.523 15.148 1.00 0.00 C ATOM 998 O GLY A 71 10.990 -6.781 16.080 1.00 0.00 O ATOM 0 H GLY A 71 10.488 -9.508 13.191 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.777 -9.634 15.582 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.346 -8.871 15.421 1.00 0.00 H new ATOM 1002 N GLY A 72 9.801 -7.223 14.209 1.00 0.00 N ATOM 1003 CA GLY A 72 9.102 -5.950 14.217 1.00 0.00 C ATOM 1004 C GLY A 72 7.625 -6.137 14.569 1.00 0.00 C ATOM 1005 O GLY A 72 7.241 -7.166 15.125 1.00 0.00 O ATOM 0 H GLY A 72 9.552 -7.841 13.436 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.569 -5.279 14.938 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.189 -5.477 13.239 1.00 0.00 H new ATOM 1009 N PRO A 73 6.815 -5.101 14.223 1.00 0.00 N ATOM 1010 CA PRO A 73 5.388 -5.142 14.497 1.00 0.00 C ATOM 1011 C PRO A 73 4.670 -6.074 13.521 1.00 0.00 C ATOM 1012 O PRO A 73 4.091 -7.080 13.929 1.00 0.00 O ATOM 1013 CB PRO A 73 4.927 -3.697 14.388 1.00 0.00 C ATOM 1014 CG PRO A 73 6.009 -2.971 13.607 1.00 0.00 C ATOM 1015 CD PRO A 73 7.235 -3.867 13.565 1.00 0.00 C ATOM 0 HA PRO A 73 5.159 -5.547 15.483 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.966 -3.631 13.877 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.794 -3.254 15.375 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.665 -2.747 12.597 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.248 -2.019 14.081 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.554 -4.054 12.540 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.078 -3.409 14.083 1.00 0.00 H new ATOM 1020 N ALA A 74 4.730 -5.707 12.249 1.00 0.00 N ATOM 1021 CA ALA A 74 4.092 -6.499 11.211 1.00 0.00 C ATOM 1022 C ALA A 74 4.410 -7.978 11.436 1.00 0.00 C ATOM 1023 O ALA A 74 3.505 -8.809 11.502 1.00 0.00 O ATOM 1024 CB ALA A 74 4.550 -6.006 9.838 1.00 0.00 C ATOM 0 H ALA A 74 5.210 -4.872 11.914 1.00 0.00 H new ATOM 0 HA ALA A 74 3.009 -6.385 11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.071 -6.600 9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.273 -4.959 9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.632 -6.107 9.758 1.00 0.00 H new ATOM 1030 N PHE A 75 5.699 -8.263 11.544 1.00 0.00 N ATOM 1031 CA PHE A 75 6.150 -9.628 11.760 1.00 0.00 C ATOM 1032 C PHE A 75 5.298 -10.324 12.825 1.00 0.00 C ATOM 1033 O PHE A 75 4.893 -11.472 12.648 1.00 0.00 O ATOM 1034 CB PHE A 75 7.596 -9.551 12.251 1.00 0.00 C ATOM 1035 CG PHE A 75 8.062 -10.792 13.012 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.155 -11.989 12.370 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.386 -10.700 14.331 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.588 -13.142 13.077 1.00 0.00 C ATOM 1039 CE2 PHE A 75 8.819 -11.854 15.037 1.00 0.00 C ATOM 1040 CZ PHE A 75 8.911 -13.049 14.395 1.00 0.00 C ATOM 0 H PHE A 75 6.447 -7.572 11.486 1.00 0.00 H new ATOM 0 HA PHE A 75 6.066 -10.198 10.835 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.252 -9.395 11.394 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.703 -8.680 12.897 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.900 -12.062 11.323 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.314 -9.750 14.840 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.661 -14.092 12.569 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.075 -11.782 16.084 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.241 -13.926 14.932 1.00 0.00 H new ATOM 1049 N GLU A 76 5.054 -9.600 13.907 1.00 0.00 N ATOM 1050 CA GLU A 76 4.260 -10.133 15.000 1.00 0.00 C ATOM 1051 C GLU A 76 2.788 -10.227 14.591 1.00 0.00 C ATOM 1052 O GLU A 76 2.177 -11.291 14.696 1.00 0.00 O ATOM 1053 CB GLU A 76 4.424 -9.285 16.264 1.00 0.00 C ATOM 1054 CG GLU A 76 5.897 -9.163 16.655 1.00 0.00 C ATOM 1055 CD GLU A 76 6.195 -9.966 17.922 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.496 -11.170 17.775 1.00 0.00 O ATOM 1057 OE2 GLU A 76 6.116 -9.357 19.011 1.00 0.00 O ATOM 0 H GLU A 76 5.392 -8.648 14.050 1.00 0.00 H new ATOM 0 HA GLU A 76 4.619 -11.137 15.227 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.005 -8.293 16.097 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.863 -9.735 17.083 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.525 -9.519 15.838 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.149 -8.115 16.817 1.00 0.00 H new ATOM 1062 N ALA A 77 2.261 -9.102 14.133 1.00 0.00 N ATOM 1063 CA ALA A 77 0.873 -9.043 13.706 1.00 0.00 C ATOM 1064 C ALA A 77 0.520 -10.329 12.955 1.00 0.00 C ATOM 1065 O ALA A 77 -0.624 -10.777 12.986 1.00 0.00 O ATOM 1066 CB ALA A 77 0.652 -7.792 12.855 1.00 0.00 C ATOM 0 H ALA A 77 2.771 -8.222 14.048 1.00 0.00 H new ATOM 0 HA ALA A 77 0.210 -8.971 14.568 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.389 -7.749 12.535 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.888 -6.905 13.443 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.299 -7.829 11.979 1.00 0.00 H new ATOM 1072 N GLY A 78 1.528 -10.889 12.298 1.00 0.00 N ATOM 1073 CA GLY A 78 1.339 -12.113 11.541 1.00 0.00 C ATOM 1074 C GLY A 78 1.422 -11.846 10.037 1.00 0.00 C ATOM 1075 O GLY A 78 0.964 -12.658 9.233 1.00 0.00 O ATOM 0 H GLY A 78 2.477 -10.516 12.276 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.097 -12.842 11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.370 -12.549 11.784 1.00 0.00 H new ATOM 1079 N LEU A 79 2.008 -10.707 9.703 1.00 0.00 N ATOM 1080 CA LEU A 79 2.156 -10.323 8.309 1.00 0.00 C ATOM 1081 C LEU A 79 3.206 -11.217 7.646 1.00 0.00 C ATOM 1082 O LEU A 79 3.825 -12.050 8.308 1.00 0.00 O ATOM 1083 CB LEU A 79 2.462 -8.828 8.195 1.00 0.00 C ATOM 1084 CG LEU A 79 1.717 -8.072 7.093 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.257 -7.833 7.484 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.436 -6.769 6.738 1.00 0.00 C ATOM 0 H LEU A 79 2.386 -10.037 10.373 1.00 0.00 H new ATOM 0 HA LEU A 79 1.221 -10.476 7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.232 -8.357 9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.533 -8.708 8.030 1.00 0.00 H new ATOM 0 HG LEU A 79 1.714 -8.691 6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.250 -7.294 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.238 -8.791 7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.217 -7.244 8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.885 -6.252 5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.492 -6.132 7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.443 -6.993 6.387 1.00 0.00 H new ATOM 1097 N CYS A 80 3.374 -11.016 6.348 1.00 0.00 N ATOM 1098 CA CYS A 80 4.337 -11.795 5.588 1.00 0.00 C ATOM 1099 C CYS A 80 4.566 -11.100 4.245 1.00 0.00 C ATOM 1100 O CYS A 80 4.214 -9.932 4.078 1.00 0.00 O ATOM 1101 CB CYS A 80 3.880 -13.244 5.411 1.00 0.00 C ATOM 1102 SG CYS A 80 5.149 -14.387 6.071 1.00 0.00 S ATOM 0 H CYS A 80 2.859 -10.325 5.803 1.00 0.00 H new ATOM 0 HA CYS A 80 5.279 -11.845 6.134 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.933 -13.401 5.928 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.705 -13.452 4.355 1.00 0.00 H new ATOM 0 HG CYS A 80 4.749 -15.614 5.918 1.00 0.00 H new ATOM 1107 N THR A 81 5.153 -11.846 3.320 1.00 0.00 N ATOM 1108 CA THR A 81 5.431 -11.315 1.997 1.00 0.00 C ATOM 1109 C THR A 81 4.414 -11.846 0.985 1.00 0.00 C ATOM 1110 O THR A 81 4.135 -13.043 0.949 1.00 0.00 O ATOM 1111 CB THR A 81 6.879 -11.664 1.643 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.941 -13.080 1.790 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.877 -11.137 2.677 1.00 0.00 C ATOM 0 H THR A 81 5.443 -12.814 3.461 1.00 0.00 H new ATOM 0 HA THR A 81 5.328 -10.230 1.976 1.00 0.00 H new ATOM 0 HB THR A 81 7.122 -11.255 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.085 -13.475 1.521 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.889 -11.411 2.379 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.798 -10.052 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.655 -11.572 3.651 1.00 0.00 H new ATOM 1121 N GLY A 82 3.889 -10.929 0.185 1.00 0.00 N ATOM 1122 CA GLY A 82 2.908 -11.289 -0.824 1.00 0.00 C ATOM 1123 C GLY A 82 1.501 -10.871 -0.395 1.00 0.00 C ATOM 1124 O GLY A 82 0.622 -10.683 -1.236 1.00 0.00 O ATOM 0 H GLY A 82 4.125 -9.937 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.161 -10.810 -1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.935 -12.365 -0.995 1.00 0.00 H new ATOM 1128 N ASP A 83 1.329 -10.737 0.911 1.00 0.00 N ATOM 1129 CA ASP A 83 0.044 -10.343 1.461 1.00 0.00 C ATOM 1130 C ASP A 83 -0.381 -9.007 0.851 1.00 0.00 C ATOM 1131 O ASP A 83 0.376 -8.037 0.886 1.00 0.00 O ATOM 1132 CB ASP A 83 0.124 -10.167 2.979 1.00 0.00 C ATOM 1133 CG ASP A 83 0.355 -11.458 3.768 1.00 0.00 C ATOM 1134 OD1 ASP A 83 0.174 -12.536 3.161 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.704 -11.338 4.963 1.00 0.00 O ATOM 0 H ASP A 83 2.059 -10.895 1.605 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.676 -11.127 1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.931 -9.470 3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.802 -9.708 3.326 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.588 -8.996 0.308 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.122 -7.794 -0.309 1.00 0.00 C ATOM 1141 C ARG A 84 -2.953 -7.002 0.703 1.00 0.00 C ATOM 1142 O ARG A 84 -3.661 -7.586 1.522 1.00 0.00 O ATOM 1143 CB ARG A 84 -2.993 -8.134 -1.519 1.00 0.00 C ATOM 1144 CG ARG A 84 -2.348 -9.230 -2.368 1.00 0.00 C ATOM 1145 CD ARG A 84 -3.344 -9.798 -3.382 1.00 0.00 C ATOM 1146 NE ARG A 84 -3.138 -11.256 -3.533 1.00 0.00 N ATOM 1147 CZ ARG A 84 -4.067 -12.101 -4.000 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -5.270 -11.638 -4.366 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -3.792 -13.408 -4.103 1.00 0.00 N ATOM 0 H ARG A 84 -2.213 -9.802 0.282 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.278 -7.191 -0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.977 -8.461 -1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.144 -7.241 -2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.481 -8.826 -2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.986 -10.030 -1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.364 -9.599 -3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.217 -9.303 -4.345 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.232 -11.641 -3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.478 -10.642 -4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.977 -12.281 -4.722 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.876 -13.760 -3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.499 -14.051 -4.458 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.840 -5.685 0.614 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.572 -4.808 1.511 1.00 0.00 C ATOM 1162 C ILE A 85 -4.985 -4.593 0.965 1.00 0.00 C ATOM 1163 O ILE A 85 -5.163 -4.338 -0.225 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.797 -3.509 1.742 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.321 -3.794 2.029 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.446 -2.672 2.846 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.167 -4.674 3.272 1.00 0.00 C ATOM 0 H ILE A 85 -2.252 -5.204 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.676 -5.268 2.494 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.838 -2.919 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.868 -4.289 1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.787 -2.855 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.875 -1.754 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.468 -2.423 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.458 -3.242 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.109 -4.863 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.600 -4.166 4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.682 -5.621 3.113 1.00 0.00 H new ATOM 1178 N ILE A 86 -5.954 -4.703 1.863 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.347 -4.523 1.486 1.00 0.00 C ATOM 1180 C ILE A 86 -7.934 -3.349 2.271 1.00 0.00 C ATOM 1181 O ILE A 86 -8.708 -2.560 1.729 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.122 -5.830 1.661 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.221 -6.215 3.139 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.507 -6.949 0.819 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.030 -7.502 3.318 1.00 0.00 C ATOM 0 H ILE A 86 -5.803 -4.914 2.849 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.427 -4.272 0.428 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.138 -5.675 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.221 -6.350 3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.690 -5.406 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.077 -7.867 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.531 -6.667 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.474 -7.111 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.085 -7.753 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.037 -7.356 2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.545 -8.315 2.777 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.548 -3.272 3.537 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.028 -2.207 4.402 1.00 0.00 C ATOM 1198 C LYS A 87 -6.853 -1.634 5.197 1.00 0.00 C ATOM 1199 O LYS A 87 -5.812 -2.276 5.322 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.178 -2.706 5.277 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.379 -3.117 4.421 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.870 -4.516 4.804 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.488 -5.229 3.599 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.402 -6.304 4.045 1.00 0.00 N ATOM 0 H LYS A 87 -6.909 -3.929 3.984 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.441 -1.391 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.844 -3.555 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.475 -1.923 5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.186 -2.396 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.102 -3.100 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.038 -5.104 5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.607 -4.441 5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.033 -4.512 2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.700 -5.650 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.479 -7.026 3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.028 -6.740 4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.342 -5.903 4.237 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.061 -0.433 5.717 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.033 0.233 6.498 1.00 0.00 C ATOM 1216 C VAL A 88 -6.695 1.152 7.527 1.00 0.00 C ATOM 1217 O VAL A 88 -7.515 1.998 7.171 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.068 0.973 5.569 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.096 1.843 6.368 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.313 -0.008 4.670 1.00 0.00 C ATOM 0 H VAL A 88 -7.927 0.096 5.612 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.439 -0.496 7.049 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.657 1.630 4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.422 2.358 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.656 2.578 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.517 1.214 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.634 0.543 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.742 -0.701 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.025 -0.566 4.062 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.314 0.956 8.780 1.00 0.00 N ATOM 1231 CA ASN A 89 -6.859 1.756 9.862 1.00 0.00 C ATOM 1232 C ASN A 89 -8.387 1.767 9.762 1.00 0.00 C ATOM 1233 O ASN A 89 -9.000 2.830 9.683 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.371 3.205 9.777 1.00 0.00 C ATOM 1235 CG ASN A 89 -4.941 3.331 10.307 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.437 2.480 11.021 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.317 4.439 9.917 1.00 0.00 N ATOM 0 H ASN A 89 -5.633 0.254 9.070 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.529 1.318 10.804 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.411 3.547 8.743 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.035 3.851 10.352 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.358 4.617 10.216 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.797 5.111 9.318 1.00 0.00 H new ATOM 1243 N GLY A 90 -8.955 0.570 9.773 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.400 0.428 9.684 1.00 0.00 C ATOM 1245 C GLY A 90 -10.982 1.381 8.639 1.00 0.00 C ATOM 1246 O GLY A 90 -12.141 1.780 8.735 1.00 0.00 O ATOM 0 H GLY A 90 -8.443 -0.309 9.842 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.652 -0.600 9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.849 0.631 10.656 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.150 1.719 7.664 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.568 2.618 6.602 1.00 0.00 C ATOM 1252 C GLU A 91 -10.639 1.869 5.269 1.00 0.00 C ATOM 1253 O GLU A 91 -9.708 1.151 4.907 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.631 3.823 6.503 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.401 5.133 6.681 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.665 5.147 5.818 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.517 5.375 4.598 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -12.749 4.928 6.398 1.00 0.00 O ATOM 0 H GLU A 91 -9.189 1.386 7.588 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.564 2.992 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.854 3.747 7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.130 3.820 5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.671 5.261 7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.762 5.974 6.411 1.00 0.00 H new ATOM 1263 N SER A 92 -11.752 2.061 4.579 1.00 0.00 N ATOM 1264 CA SER A 92 -11.957 1.411 3.294 1.00 0.00 C ATOM 1265 C SER A 92 -11.055 2.048 2.237 1.00 0.00 C ATOM 1266 O SER A 92 -11.293 3.177 1.812 1.00 0.00 O ATOM 1267 CB SER A 92 -13.423 1.495 2.863 1.00 0.00 C ATOM 1268 OG SER A 92 -14.184 2.345 3.717 1.00 0.00 O ATOM 0 H SER A 92 -12.522 2.657 4.884 1.00 0.00 H new ATOM 0 HA SER A 92 -11.697 0.358 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.479 1.866 1.840 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.859 0.496 2.864 1.00 0.00 H new ATOM 0 HG SER A 92 -15.113 2.373 3.407 1.00 0.00 H new ATOM 1273 N VAL A 93 -10.038 1.296 1.840 1.00 0.00 N ATOM 1274 CA VAL A 93 -9.099 1.774 0.839 1.00 0.00 C ATOM 1275 C VAL A 93 -9.295 0.982 -0.455 1.00 0.00 C ATOM 1276 O VAL A 93 -8.326 0.527 -1.061 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.672 1.690 1.381 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.501 2.577 2.616 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.284 0.244 1.688 1.00 0.00 C ATOM 0 H VAL A 93 -9.844 0.359 2.194 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.284 2.823 0.609 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.999 2.059 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.477 2.499 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.714 3.613 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.190 2.252 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.264 0.215 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.965 -0.165 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.346 -0.351 0.777 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.554 0.841 -0.841 1.00 0.00 N ATOM 1290 CA ILE A 94 -10.889 0.112 -2.052 1.00 0.00 C ATOM 1291 C ILE A 94 -10.610 0.998 -3.269 1.00 0.00 C ATOM 1292 O ILE A 94 -9.867 0.607 -4.168 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.327 -0.406 -1.986 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -12.488 -1.437 -0.868 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -12.774 -0.956 -3.342 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -11.724 -2.723 -1.193 1.00 0.00 C ATOM 0 H ILE A 94 -11.355 1.220 -0.336 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.260 -0.773 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.981 0.432 -1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.123 -1.020 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -13.545 -1.663 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.800 -1.318 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -12.721 -0.165 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.120 -1.777 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.855 -3.439 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -12.108 -3.150 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.664 -2.497 -1.309 1.00 0.00 H new ATOM 1307 N GLY A 95 -11.221 2.173 -3.257 1.00 0.00 N ATOM 1308 CA GLY A 95 -11.046 3.117 -4.348 1.00 0.00 C ATOM 1309 C GLY A 95 -9.938 4.123 -4.032 1.00 0.00 C ATOM 1310 O GLY A 95 -9.746 5.091 -4.766 1.00 0.00 O ATOM 0 H GLY A 95 -11.837 2.493 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.802 2.578 -5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.982 3.646 -4.529 1.00 0.00 H new ATOM 1314 N LYS A 96 -9.239 3.859 -2.938 1.00 0.00 N ATOM 1315 CA LYS A 96 -8.154 4.729 -2.515 1.00 0.00 C ATOM 1316 C LYS A 96 -6.874 4.338 -3.255 1.00 0.00 C ATOM 1317 O LYS A 96 -6.733 3.200 -3.700 1.00 0.00 O ATOM 1318 CB LYS A 96 -8.014 4.709 -0.991 1.00 0.00 C ATOM 1319 CG LYS A 96 -9.193 5.423 -0.324 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.977 5.541 1.187 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.853 6.646 1.780 1.00 0.00 C ATOM 1322 NZ LYS A 96 -9.362 7.978 1.362 1.00 0.00 N ATOM 0 H LYS A 96 -9.403 3.055 -2.332 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.371 5.764 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.962 3.678 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.081 5.191 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.314 6.416 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.114 4.875 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.210 4.590 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.928 5.754 1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.885 6.514 1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.850 6.576 2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.170 8.557 2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.487 7.868 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.083 8.446 0.777 1.00 0.00 H new ATOM 1332 N THR A 97 -5.971 5.303 -3.364 1.00 0.00 N ATOM 1333 CA THR A 97 -4.708 5.073 -4.041 1.00 0.00 C ATOM 1334 C THR A 97 -3.596 4.811 -3.024 1.00 0.00 C ATOM 1335 O THR A 97 -3.708 5.203 -1.863 1.00 0.00 O ATOM 1336 CB THR A 97 -4.431 6.275 -4.947 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.311 5.870 -5.729 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.923 7.490 -4.169 1.00 0.00 C ATOM 0 H THR A 97 -6.091 6.246 -2.994 1.00 0.00 H new ATOM 0 HA THR A 97 -4.752 4.180 -4.664 1.00 0.00 H new ATOM 0 HB THR A 97 -5.342 6.542 -5.483 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.065 6.591 -6.346 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.742 8.314 -4.859 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.670 7.789 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.994 7.233 -3.659 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.549 4.151 -3.495 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.417 3.832 -2.640 1.00 0.00 C ATOM 1348 C TYR A 98 -0.906 5.080 -1.920 1.00 0.00 C ATOM 1349 O TYR A 98 -0.376 4.991 -0.813 1.00 0.00 O ATOM 1350 CB TYR A 98 -0.321 3.309 -3.570 1.00 0.00 C ATOM 1351 CG TYR A 98 1.040 3.137 -2.892 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.255 2.075 -2.039 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.051 4.045 -3.132 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.536 1.911 -1.400 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.331 3.882 -2.494 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.510 2.824 -1.659 1.00 0.00 C ATOM 1357 OH TYR A 98 4.720 2.670 -1.056 1.00 0.00 O ATOM 0 H TYR A 98 -2.460 3.828 -4.458 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.702 3.105 -1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.635 2.349 -3.981 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.213 3.995 -4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.463 1.366 -1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.882 4.878 -3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.718 1.083 -0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.131 4.584 -2.675 1.00 0.00 H new ATOM 0 HH TYR A 98 5.319 3.394 -1.334 1.00 0.00 H new ATOM 1366 N SER A 99 -1.084 6.218 -2.576 1.00 0.00 N ATOM 1367 CA SER A 99 -0.647 7.484 -2.012 1.00 0.00 C ATOM 1368 C SER A 99 -1.573 7.892 -0.864 1.00 0.00 C ATOM 1369 O SER A 99 -1.231 8.765 -0.067 1.00 0.00 O ATOM 1370 CB SER A 99 -0.610 8.580 -3.079 1.00 0.00 C ATOM 1371 OG SER A 99 0.260 9.648 -2.716 1.00 0.00 O ATOM 0 H SER A 99 -1.525 6.289 -3.493 1.00 0.00 H new ATOM 0 HA SER A 99 0.365 7.356 -1.627 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.283 8.152 -4.027 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.616 8.969 -3.235 1.00 0.00 H new ATOM 0 HG SER A 99 0.257 10.327 -3.423 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.725 7.241 -0.815 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.702 7.526 0.222 1.00 0.00 C ATOM 1378 C GLN A 100 -3.442 6.651 1.451 1.00 0.00 C ATOM 1379 O GLN A 100 -3.197 7.164 2.542 1.00 0.00 O ATOM 1380 CB GLN A 100 -5.128 7.330 -0.299 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.505 8.432 -1.291 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.948 8.895 -1.073 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.382 9.151 0.039 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -7.661 8.989 -2.190 1.00 0.00 N ATOM 0 H GLN A 100 -3.004 6.517 -1.477 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.598 8.571 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.212 6.356 -0.782 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.828 7.333 0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.827 9.277 -1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.387 8.065 -2.310 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.235 8.759 -3.088 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.634 9.291 -2.150 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.504 5.346 1.232 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.279 4.394 2.307 1.00 0.00 C ATOM 1393 C VAL A 101 -1.968 4.738 3.019 1.00 0.00 C ATOM 1394 O VAL A 101 -1.831 4.508 4.219 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.306 2.968 1.759 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.707 2.593 1.272 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.273 2.789 0.643 1.00 0.00 C ATOM 0 H VAL A 101 -3.707 4.925 0.325 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.077 4.457 3.046 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.042 2.293 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.698 1.573 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.411 2.661 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.012 3.277 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.313 1.765 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.493 3.480 -0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.276 2.994 1.034 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.037 5.280 2.246 1.00 0.00 N ATOM 1408 CA ILE A 102 0.257 5.656 2.787 1.00 0.00 C ATOM 1409 C ILE A 102 0.057 6.636 3.946 1.00 0.00 C ATOM 1410 O ILE A 102 0.545 6.404 5.050 1.00 0.00 O ATOM 1411 CB ILE A 102 1.165 6.193 1.679 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.759 5.048 0.856 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.249 7.109 2.253 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.986 4.452 1.550 1.00 0.00 C ATOM 0 H ILE A 102 -1.154 5.467 1.250 1.00 0.00 H new ATOM 0 HA ILE A 102 0.768 4.783 3.192 1.00 0.00 H new ATOM 0 HB ILE A 102 0.559 6.796 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.007 4.272 0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.037 5.413 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.880 7.477 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.781 7.953 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.858 6.551 2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.388 3.640 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.745 5.224 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.699 4.066 2.528 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.663 7.710 3.653 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.934 8.724 4.656 1.00 0.00 C ATOM 1427 C ALA A 103 -1.575 8.067 5.880 1.00 0.00 C ATOM 1428 O ALA A 103 -1.273 8.434 7.015 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.818 9.817 4.051 1.00 0.00 C ATOM 0 H ALA A 103 -1.066 7.899 2.735 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.008 9.197 4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.022 10.578 4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.305 10.272 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.758 9.380 3.714 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.447 7.108 5.609 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.134 6.396 6.673 1.00 0.00 C ATOM 1437 C LEU A 104 -2.100 5.712 7.572 1.00 0.00 C ATOM 1438 O LEU A 104 -2.208 5.761 8.795 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.175 5.438 6.093 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.380 6.090 5.414 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.416 5.040 5.009 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.987 7.181 6.299 1.00 0.00 C ATOM 0 H LEU A 104 -2.694 6.807 4.666 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.692 7.092 7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.681 4.791 5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.538 4.797 6.897 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.035 6.573 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.262 5.531 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.964 4.332 4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.761 4.508 5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.842 7.628 5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.313 6.744 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.239 7.949 6.494 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.123 5.089 6.928 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.072 4.395 7.652 1.00 0.00 C ATOM 1455 C ILE A 105 0.772 5.416 8.417 1.00 0.00 C ATOM 1456 O ILE A 105 1.297 5.115 9.488 1.00 0.00 O ATOM 1457 CB ILE A 105 0.741 3.514 6.702 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.120 2.388 6.126 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.997 2.979 7.390 1.00 0.00 C ATOM 1460 CD1 ILE A 105 0.179 2.172 4.642 1.00 0.00 C ATOM 0 H ILE A 105 -1.038 5.051 5.912 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.501 3.717 8.390 1.00 0.00 H new ATOM 0 HB ILE A 105 1.070 4.129 5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.066 1.466 6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.175 2.629 6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.557 2.356 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.620 3.814 7.711 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.711 2.385 8.258 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.447 1.366 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.032 3.089 4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.229 1.907 4.517 1.00 0.00 H new ATOM 1471 N GLN A 106 0.877 6.604 7.839 1.00 0.00 N ATOM 1472 CA GLN A 106 1.648 7.670 8.455 1.00 0.00 C ATOM 1473 C GLN A 106 0.818 8.375 9.530 1.00 0.00 C ATOM 1474 O GLN A 106 1.369 8.975 10.450 1.00 0.00 O ATOM 1475 CB GLN A 106 2.141 8.667 7.402 1.00 0.00 C ATOM 1476 CG GLN A 106 3.098 7.994 6.415 1.00 0.00 C ATOM 1477 CD GLN A 106 4.283 8.906 6.094 1.00 0.00 C ATOM 1478 OE1 GLN A 106 4.468 9.959 6.682 1.00 0.00 O ATOM 1479 NE2 GLN A 106 5.073 8.444 5.128 1.00 0.00 N ATOM 0 H GLN A 106 0.441 6.851 6.951 1.00 0.00 H new ATOM 0 HA GLN A 106 2.524 7.230 8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.290 9.083 6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.645 9.500 7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.460 7.056 6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.565 7.747 5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.860 7.554 4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.891 8.980 4.839 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.495 8.277 9.377 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.406 8.896 10.323 1.00 0.00 C ATOM 1488 C ASN A 107 -1.881 7.847 11.330 1.00 0.00 C ATOM 1489 O ASN A 107 -2.903 8.031 11.989 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.638 9.460 9.613 1.00 0.00 C ATOM 1491 CG ASN A 107 -2.368 10.871 9.085 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -2.171 11.814 9.833 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -2.371 10.961 7.758 1.00 0.00 N ATOM 0 H ASN A 107 -0.949 7.778 8.612 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.874 9.706 10.821 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.918 8.806 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -3.482 9.481 10.303 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -2.201 11.860 7.307 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.543 10.131 7.191 1.00 0.00 H new ATOM 1499 N SER A 108 -1.115 6.768 11.417 1.00 0.00 N ATOM 1500 CA SER A 108 -1.445 5.688 12.332 1.00 0.00 C ATOM 1501 C SER A 108 -1.396 6.194 13.776 1.00 0.00 C ATOM 1502 O SER A 108 -1.866 5.518 14.691 1.00 0.00 O ATOM 1503 CB SER A 108 -0.494 4.503 12.152 1.00 0.00 C ATOM 1504 OG SER A 108 0.470 4.428 13.199 1.00 0.00 O ATOM 0 H SER A 108 -0.268 6.619 10.869 1.00 0.00 H new ATOM 0 HA SER A 108 -2.455 5.345 12.107 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.069 3.578 12.122 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.018 4.591 11.194 1.00 0.00 H new ATOM 0 HG SER A 108 0.042 4.093 14.015 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.821 7.377 13.936 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.705 7.980 15.253 1.00 0.00 C ATOM 1511 C ASP A 109 0.138 7.073 16.151 1.00 0.00 C ATOM 1512 O ASP A 109 1.366 7.145 16.135 1.00 0.00 O ATOM 1513 CB ASP A 109 -2.078 8.148 15.906 1.00 0.00 C ATOM 1514 CG ASP A 109 -2.050 8.426 17.410 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.173 9.216 17.824 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.904 7.844 18.112 1.00 0.00 O ATOM 0 H ASP A 109 -0.431 7.934 13.176 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.240 8.959 15.136 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.601 8.966 15.411 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.660 7.244 15.730 1.00 0.00 H new ATOM 1520 N THR A 110 -0.554 6.241 16.914 1.00 0.00 N ATOM 1521 CA THR A 110 0.115 5.320 17.818 1.00 0.00 C ATOM 1522 C THR A 110 0.342 3.971 17.134 1.00 0.00 C ATOM 1523 O THR A 110 1.481 3.553 16.938 1.00 0.00 O ATOM 1524 CB THR A 110 -0.720 5.221 19.096 1.00 0.00 C ATOM 1525 OG1 THR A 110 -0.548 6.490 19.723 1.00 0.00 O ATOM 1526 CG2 THR A 110 -0.136 4.227 20.102 1.00 0.00 C ATOM 0 H THR A 110 -1.572 6.185 16.925 1.00 0.00 H new ATOM 0 HA THR A 110 1.107 5.682 18.088 1.00 0.00 H new ATOM 0 HB THR A 110 -1.738 4.925 18.842 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.058 6.513 20.560 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.767 4.195 20.990 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.094 3.235 19.651 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.870 4.541 20.382 1.00 0.00 H new ATOM 1534 N THR A 111 -0.764 3.325 16.789 1.00 0.00 N ATOM 1535 CA THR A 111 -0.701 2.032 16.131 1.00 0.00 C ATOM 1536 C THR A 111 -1.123 2.158 14.666 1.00 0.00 C ATOM 1537 O THR A 111 -1.624 3.200 14.248 1.00 0.00 O ATOM 1538 CB THR A 111 -1.562 1.052 16.930 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.552 1.877 17.537 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.809 0.441 18.114 1.00 0.00 C ATOM 0 H THR A 111 -1.708 3.674 16.953 1.00 0.00 H new ATOM 0 HA THR A 111 0.319 1.648 16.110 1.00 0.00 H new ATOM 0 HB THR A 111 -1.911 0.256 16.273 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.096 2.301 16.841 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.466 -0.247 18.647 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.064 -0.100 17.750 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.489 1.234 18.790 1.00 0.00 H new ATOM 1548 N LEU A 112 -0.903 1.081 13.926 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.256 1.057 12.517 1.00 0.00 C ATOM 1550 C LEU A 112 -1.930 -0.276 12.185 1.00 0.00 C ATOM 1551 O LEU A 112 -1.274 -1.317 12.156 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.029 1.357 11.653 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.282 1.479 10.147 1.00 0.00 C ATOM 1554 CD1 LEU A 112 0.156 0.211 9.415 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.743 1.831 9.864 1.00 0.00 C ATOM 0 H LEU A 112 -0.485 0.219 14.276 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.977 1.843 12.292 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.418 2.287 12.003 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.706 0.569 11.815 1.00 0.00 H new ATOM 0 HG LEU A 112 0.325 2.298 9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.034 0.323 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.221 0.046 9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.406 -0.642 9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.896 1.912 8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.390 1.050 10.265 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.986 2.782 10.337 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.230 -0.202 11.944 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.000 -1.390 11.616 1.00 0.00 C ATOM 1568 C GLU A 113 -4.021 -1.607 10.102 1.00 0.00 C ATOM 1569 O GLU A 113 -4.023 -0.648 9.332 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.421 -1.296 12.176 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.197 -2.589 11.923 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.700 -2.372 12.114 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.096 -2.144 13.277 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.417 -2.440 11.092 1.00 0.00 O ATOM 0 H GLU A 113 -3.770 0.663 11.969 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.519 -2.250 12.081 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.381 -1.095 13.247 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.943 -0.458 11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.003 -2.942 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.849 -3.366 12.604 1.00 0.00 H new ATOM 1579 N LEU A 114 -4.036 -2.875 9.718 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.057 -3.231 8.310 1.00 0.00 C ATOM 1581 C LEU A 114 -5.030 -4.393 8.096 1.00 0.00 C ATOM 1582 O LEU A 114 -5.753 -4.780 9.013 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.640 -3.515 7.808 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.624 -2.386 7.991 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.195 -2.933 8.020 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.804 -1.308 6.921 1.00 0.00 C ATOM 0 H LEU A 114 -4.034 -3.669 10.358 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.421 -2.396 7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.265 -4.401 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.694 -3.760 6.747 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.807 -1.915 8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.507 -2.110 8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.091 -3.634 8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.018 -3.445 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.070 -0.517 7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.663 -1.748 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.808 -0.889 6.992 1.00 0.00 H new ATOM 1597 N SER A 115 -5.017 -4.917 6.879 1.00 0.00 N ATOM 1598 CA SER A 115 -5.888 -6.028 6.533 1.00 0.00 C ATOM 1599 C SER A 115 -5.466 -6.625 5.189 1.00 0.00 C ATOM 1600 O SER A 115 -5.191 -5.893 4.240 1.00 0.00 O ATOM 1601 CB SER A 115 -7.351 -5.583 6.481 1.00 0.00 C ATOM 1602 OG SER A 115 -7.639 -4.577 7.449 1.00 0.00 O ATOM 0 H SER A 115 -4.417 -4.593 6.120 1.00 0.00 H new ATOM 0 HA SER A 115 -5.795 -6.791 7.306 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.579 -5.203 5.485 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.998 -6.444 6.650 1.00 0.00 H new ATOM 0 HG SER A 115 -7.366 -4.889 8.337 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.429 -7.949 5.153 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.047 -8.654 3.940 1.00 0.00 C ATOM 1609 C VAL A 116 -6.040 -9.787 3.678 1.00 0.00 C ATOM 1610 O VAL A 116 -7.128 -9.807 4.249 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.600 -9.140 4.054 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.688 -8.031 4.581 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.509 -10.389 4.933 1.00 0.00 C ATOM 0 H VAL A 116 -5.657 -8.552 5.943 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.086 -7.985 3.080 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.257 -9.408 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.666 -8.403 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.718 -7.181 3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.029 -7.717 5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.470 -10.714 4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.880 -10.159 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.112 -11.186 4.497 1.00 0.00 H new ATOM 1623 N MET A 117 -5.628 -10.702 2.813 1.00 0.00 N ATOM 1624 CA MET A 117 -6.470 -11.836 2.469 1.00 0.00 C ATOM 1625 C MET A 117 -5.631 -13.102 2.275 1.00 0.00 C ATOM 1626 O MET A 117 -4.977 -13.266 1.245 1.00 0.00 O ATOM 1627 CB MET A 117 -7.237 -11.531 1.182 1.00 0.00 C ATOM 1628 CG MET A 117 -8.594 -10.896 1.491 1.00 0.00 C ATOM 1629 SD MET A 117 -9.842 -12.164 1.634 1.00 0.00 S ATOM 1630 CE MET A 117 -10.524 -11.749 3.231 1.00 0.00 C ATOM 0 H MET A 117 -4.724 -10.682 2.341 1.00 0.00 H new ATOM 0 HA MET A 117 -7.169 -12.007 3.287 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.651 -10.859 0.556 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.382 -12.450 0.614 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.535 -10.326 2.418 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.865 -10.195 0.702 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.402 -12.366 3.423 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.777 -11.930 4.004 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.811 -10.697 3.242 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.676 -13.985 3.306 1.00 0.00 N ATOM 1639 CA PRO A 118 -4.930 -15.231 3.260 1.00 0.00 C ATOM 1640 C PRO A 118 -5.599 -16.238 2.321 1.00 0.00 C ATOM 1641 O PRO A 118 -6.824 -16.359 2.306 1.00 0.00 O ATOM 1642 CB PRO A 118 -4.872 -15.710 4.701 1.00 0.00 C ATOM 1643 CG PRO A 118 -5.978 -14.967 5.432 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.439 -13.825 4.542 1.00 0.00 C ATOM 0 HA PRO A 118 -3.925 -15.104 2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -5.020 -16.788 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.899 -15.497 5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.808 -15.638 5.652 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.615 -14.585 6.386 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.511 -13.877 4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.243 -12.858 5.006 1.00 0.00 H new ATOM 1649 N LYS A 119 -4.768 -16.934 1.561 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.264 -17.926 0.621 1.00 0.00 C ATOM 1651 C LYS A 119 -5.341 -19.286 1.319 1.00 0.00 C ATOM 1652 O LYS A 119 -4.790 -19.465 2.404 1.00 0.00 O ATOM 1653 CB LYS A 119 -4.414 -17.933 -0.650 1.00 0.00 C ATOM 1654 CG LYS A 119 -5.292 -17.818 -1.897 1.00 0.00 C ATOM 1655 CD LYS A 119 -4.490 -17.279 -3.084 1.00 0.00 C ATOM 1656 CE LYS A 119 -5.041 -17.816 -4.406 1.00 0.00 C ATOM 1657 NZ LYS A 119 -3.939 -18.304 -5.266 1.00 0.00 N ATOM 0 H LYS A 119 -3.753 -16.831 1.576 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.274 -17.675 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.705 -17.105 -0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.829 -18.852 -0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.705 -18.795 -2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.135 -17.158 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.525 -16.190 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.443 -17.564 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.745 -18.626 -4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.593 -17.031 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.330 -18.665 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.283 -17.522 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.429 -19.068 -4.777 1.00 0.00 H new