USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 LYS NZ :NH3+ -134:sc= -1.74 (180deg=-4.48!) USER MOD Single : A 15 THR OG1 : rot 87:sc= -0.347! USER MOD Single : A 19 THR OG1 : rot 76:sc= -1.48! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -2! X(o=-2!,f=-1.8) USER MOD Single : A 28 GLN : amide:sc= -6.26! K(o=-6.3!,f=-0.81) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -153:sc= -0.106 (180deg=-0.86) USER MOD Single : A 36 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 76:sc= 0.656 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -97:sc= -1.27 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc=-0.00572 (180deg=-0.328) USER MOD Single : A 99 THR OG1 : rot -25:sc= 0.349 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 102 SER OG : rot 180:sc= -0.153 USER MOD Single : A 107 TYR OH : rot 180:sc=-0.000557 USER MOD ----------------------------------------------------------------- ATOM 107 N PHE A 7 -11.541 -20.537 -4.577 1.00 0.00 N ATOM 108 CA PHE A 7 -10.743 -19.373 -4.204 1.00 0.00 C ATOM 109 C PHE A 7 -11.248 -18.123 -4.905 1.00 0.00 C ATOM 110 O PHE A 7 -11.438 -17.083 -4.276 1.00 0.00 O ATOM 111 CB PHE A 7 -9.269 -19.605 -4.532 1.00 0.00 C ATOM 112 CG PHE A 7 -8.472 -18.376 -4.159 1.00 0.00 C ATOM 113 CD1 PHE A 7 -8.407 -17.964 -2.821 1.00 0.00 C ATOM 114 CD2 PHE A 7 -7.781 -17.656 -5.145 1.00 0.00 C ATOM 115 CE1 PHE A 7 -7.655 -16.837 -2.469 1.00 0.00 C ATOM 116 CE2 PHE A 7 -7.032 -16.527 -4.791 1.00 0.00 C ATOM 117 CZ PHE A 7 -6.968 -16.118 -3.454 1.00 0.00 C ATOM 0 HA PHE A 7 -10.842 -19.227 -3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.896 -20.473 -3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.151 -19.820 -5.594 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.938 -18.517 -2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.827 -17.972 -6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.605 -16.522 -1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -6.503 -15.971 -5.551 1.00 0.00 H new ATOM 0 HZ PHE A 7 -6.389 -15.248 -3.182 1.00 0.00 H new ATOM 127 N ALA A 8 -11.483 -18.231 -6.203 1.00 0.00 N ATOM 128 CA ALA A 8 -11.988 -17.099 -6.963 1.00 0.00 C ATOM 129 C ALA A 8 -13.317 -16.667 -6.372 1.00 0.00 C ATOM 130 O ALA A 8 -13.599 -15.480 -6.256 1.00 0.00 O ATOM 131 CB ALA A 8 -12.184 -17.493 -8.428 1.00 0.00 C ATOM 0 H ALA A 8 -11.334 -19.081 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.271 -16.279 -6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.562 -16.637 -8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.230 -17.810 -8.850 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.899 -18.313 -8.492 1.00 0.00 H new ATOM 137 N ARG A 9 -14.128 -17.641 -5.981 1.00 0.00 N ATOM 138 CA ARG A 9 -15.419 -17.330 -5.386 1.00 0.00 C ATOM 139 C ARG A 9 -15.233 -16.614 -4.058 1.00 0.00 C ATOM 140 O ARG A 9 -15.959 -15.683 -3.749 1.00 0.00 O ATOM 141 CB ARG A 9 -16.218 -18.607 -5.133 1.00 0.00 C ATOM 142 CG ARG A 9 -16.601 -19.267 -6.465 1.00 0.00 C ATOM 143 CD ARG A 9 -17.409 -20.536 -6.190 1.00 0.00 C ATOM 144 NE ARG A 9 -17.755 -21.192 -7.446 1.00 0.00 N ATOM 145 CZ ARG A 9 -18.803 -20.797 -8.163 1.00 0.00 C ATOM 146 NH1 ARG A 9 -19.544 -19.807 -7.746 1.00 0.00 N ATOM 147 NH2 ARG A 9 -19.091 -21.401 -9.285 1.00 0.00 N1+ ATOM 0 H ARG A 9 -13.920 -18.636 -6.063 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.958 -16.689 -6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.629 -19.300 -4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.117 -18.375 -4.562 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.185 -18.575 -7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.704 -19.510 -7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.832 -21.215 -5.563 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.316 -20.287 -5.639 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.183 -21.967 -7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -19.319 -19.336 -6.870 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -20.348 -19.504 -8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -18.512 -22.175 -9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -19.895 -21.098 -9.835 1.00 0.00 H new ATOM 161 N LEU A 10 -14.268 -17.063 -3.261 1.00 0.00 N ATOM 162 CA LEU A 10 -14.033 -16.448 -1.962 1.00 0.00 C ATOM 163 C LEU A 10 -13.502 -15.033 -2.103 1.00 0.00 C ATOM 164 O LEU A 10 -13.928 -14.120 -1.395 1.00 0.00 O ATOM 165 CB LEU A 10 -13.012 -17.277 -1.189 1.00 0.00 C ATOM 166 CG LEU A 10 -13.622 -18.624 -0.740 1.00 0.00 C ATOM 167 CD1 LEU A 10 -12.510 -19.535 -0.191 1.00 0.00 C ATOM 168 CD2 LEU A 10 -14.693 -18.409 0.356 1.00 0.00 C ATOM 0 H LEU A 10 -13.646 -17.838 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.985 -16.411 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.138 -17.459 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.670 -16.719 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.096 -19.091 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.941 -20.485 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.769 -19.714 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.031 -19.052 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.107 -19.372 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.237 -17.926 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.491 -17.777 -0.034 1.00 0.00 H new ATOM 180 N VAL A 11 -12.570 -14.863 -3.018 1.00 0.00 N ATOM 181 CA VAL A 11 -11.984 -13.555 -3.243 1.00 0.00 C ATOM 182 C VAL A 11 -13.059 -12.646 -3.804 1.00 0.00 C ATOM 183 O VAL A 11 -13.225 -11.507 -3.369 1.00 0.00 O ATOM 184 CB VAL A 11 -10.802 -13.648 -4.220 1.00 0.00 C ATOM 185 CG1 VAL A 11 -10.260 -12.250 -4.519 1.00 0.00 C ATOM 186 CG2 VAL A 11 -9.681 -14.500 -3.611 1.00 0.00 C ATOM 0 H VAL A 11 -12.204 -15.606 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.604 -13.155 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.150 -14.111 -5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.422 -12.325 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.047 -11.642 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.924 -11.784 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.848 -14.560 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.341 -14.044 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.056 -15.503 -3.407 1.00 0.00 H new ATOM 196 N LYS A 12 -13.810 -13.181 -4.759 1.00 0.00 N ATOM 197 CA LYS A 12 -14.895 -12.437 -5.360 1.00 0.00 C ATOM 198 C LYS A 12 -15.939 -12.111 -4.314 1.00 0.00 C ATOM 199 O LYS A 12 -16.525 -11.043 -4.339 1.00 0.00 O ATOM 200 CB LYS A 12 -15.536 -13.235 -6.498 1.00 0.00 C ATOM 201 CG LYS A 12 -14.602 -13.230 -7.709 1.00 0.00 C ATOM 202 CD LYS A 12 -15.063 -14.271 -8.732 1.00 0.00 C ATOM 203 CE LYS A 12 -16.411 -13.857 -9.339 1.00 0.00 C ATOM 204 NZ LYS A 12 -17.512 -14.219 -8.401 1.00 0.00 N1+ ATOM 0 H LYS A 12 -13.684 -14.123 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.491 -11.511 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.727 -14.259 -6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.499 -12.799 -6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.591 -12.240 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.582 -13.447 -7.392 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.317 -14.372 -9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.155 -15.246 -8.253 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.421 -12.784 -9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.558 -14.354 -10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.280 -14.682 -8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.150 -14.870 -7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.876 -13.358 -7.944 1.00 0.00 H new ATOM 218 N GLU A 13 -16.186 -13.042 -3.402 1.00 0.00 N ATOM 219 CA GLU A 13 -17.188 -12.807 -2.371 1.00 0.00 C ATOM 220 C GLU A 13 -16.801 -11.642 -1.456 1.00 0.00 C ATOM 221 O GLU A 13 -17.628 -10.775 -1.174 1.00 0.00 O ATOM 222 CB GLU A 13 -17.385 -14.095 -1.580 1.00 0.00 C ATOM 223 CG GLU A 13 -18.239 -15.080 -2.408 1.00 0.00 C ATOM 224 CD GLU A 13 -19.726 -14.927 -2.082 1.00 0.00 C ATOM 225 OE1 GLU A 13 -20.073 -13.981 -1.392 1.00 0.00 O ATOM 226 OE2 GLU A 13 -20.496 -15.761 -2.529 1.00 0.00 O1- ATOM 0 H GLU A 13 -15.718 -13.947 -3.354 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.128 -12.523 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.419 -14.542 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.876 -13.880 -0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.076 -14.903 -3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.922 -16.103 -2.203 1.00 0.00 H new ATOM 233 N VAL A 14 -15.545 -11.597 -1.021 1.00 0.00 N ATOM 234 CA VAL A 14 -15.099 -10.492 -0.173 1.00 0.00 C ATOM 235 C VAL A 14 -15.193 -9.193 -0.947 1.00 0.00 C ATOM 236 O VAL A 14 -15.687 -8.173 -0.456 1.00 0.00 O ATOM 237 CB VAL A 14 -13.639 -10.705 0.256 1.00 0.00 C ATOM 238 CG1 VAL A 14 -13.088 -9.437 0.920 1.00 0.00 C ATOM 239 CG2 VAL A 14 -13.579 -11.841 1.263 1.00 0.00 C ATOM 0 H VAL A 14 -14.831 -12.294 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.735 -10.452 0.712 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.043 -10.940 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.053 -9.603 1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.134 -8.608 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.685 -9.198 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.546 -11.999 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.184 -11.588 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.964 -12.753 0.806 1.00 0.00 H new ATOM 249 N THR A 15 -14.689 -9.250 -2.160 1.00 0.00 N ATOM 250 CA THR A 15 -14.673 -8.100 -3.016 1.00 0.00 C ATOM 251 C THR A 15 -16.098 -7.667 -3.341 1.00 0.00 C ATOM 252 O THR A 15 -16.375 -6.484 -3.441 1.00 0.00 O ATOM 253 CB THR A 15 -13.908 -8.423 -4.299 1.00 0.00 C ATOM 254 OG1 THR A 15 -12.612 -8.899 -3.965 1.00 0.00 O ATOM 255 CG2 THR A 15 -13.761 -7.159 -5.142 1.00 0.00 C ATOM 0 H THR A 15 -14.284 -10.090 -2.572 1.00 0.00 H new ATOM 0 HA THR A 15 -14.172 -7.279 -2.503 1.00 0.00 H new ATOM 0 HB THR A 15 -14.454 -9.181 -4.861 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.648 -9.866 -3.813 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.215 -7.393 -6.056 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.749 -6.775 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.214 -6.405 -4.575 1.00 0.00 H new ATOM 263 N ASP A 16 -16.999 -8.632 -3.522 1.00 0.00 N ATOM 264 CA ASP A 16 -18.387 -8.316 -3.845 1.00 0.00 C ATOM 265 C ASP A 16 -19.017 -7.491 -2.727 1.00 0.00 C ATOM 266 O ASP A 16 -19.773 -6.556 -2.987 1.00 0.00 O ATOM 267 CB ASP A 16 -19.193 -9.598 -4.053 1.00 0.00 C ATOM 268 CG ASP A 16 -18.788 -10.265 -5.364 1.00 0.00 C ATOM 269 OD1 ASP A 16 -18.118 -9.618 -6.152 1.00 0.00 O ATOM 270 OD2 ASP A 16 -19.154 -11.412 -5.559 1.00 0.00 O1- ATOM 0 H ASP A 16 -16.795 -9.629 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.399 -7.736 -4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.025 -10.282 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.259 -9.369 -4.067 1.00 0.00 H new ATOM 275 N GLU A 17 -18.685 -7.828 -1.485 1.00 0.00 N ATOM 276 CA GLU A 17 -19.207 -7.102 -0.347 1.00 0.00 C ATOM 277 C GLU A 17 -18.746 -5.663 -0.446 1.00 0.00 C ATOM 278 O GLU A 17 -19.493 -4.728 -0.162 1.00 0.00 O ATOM 279 CB GLU A 17 -18.673 -7.741 0.934 1.00 0.00 C ATOM 280 CG GLU A 17 -19.276 -9.136 1.081 1.00 0.00 C ATOM 281 CD GLU A 17 -20.741 -9.037 1.496 1.00 0.00 C ATOM 282 OE1 GLU A 17 -21.167 -7.948 1.840 1.00 0.00 O ATOM 283 OE2 GLU A 17 -21.415 -10.054 1.465 1.00 0.00 O1- ATOM 0 H GLU A 17 -18.059 -8.597 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.296 -7.135 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.585 -7.803 0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.930 -7.127 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.194 -9.677 0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.718 -9.705 1.825 1.00 0.00 H new ATOM 290 N PHE A 18 -17.507 -5.501 -0.876 1.00 0.00 N ATOM 291 CA PHE A 18 -16.936 -4.178 -1.050 1.00 0.00 C ATOM 292 C PHE A 18 -17.601 -3.521 -2.258 1.00 0.00 C ATOM 293 O PHE A 18 -17.948 -2.339 -2.236 1.00 0.00 O ATOM 294 CB PHE A 18 -15.437 -4.323 -1.290 1.00 0.00 C ATOM 295 CG PHE A 18 -14.751 -5.083 -0.174 1.00 0.00 C ATOM 296 CD1 PHE A 18 -15.415 -5.491 1.010 1.00 0.00 C ATOM 297 CD2 PHE A 18 -13.412 -5.425 -0.363 1.00 0.00 C ATOM 298 CE1 PHE A 18 -14.720 -6.217 1.969 1.00 0.00 C ATOM 299 CE2 PHE A 18 -12.734 -6.145 0.602 1.00 0.00 C ATOM 300 CZ PHE A 18 -13.384 -6.538 1.761 1.00 0.00 C ATOM 0 H PHE A 18 -16.878 -6.269 -1.111 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.101 -3.563 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.270 -4.839 -2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.988 -3.334 -1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.454 -5.239 1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.903 -5.126 -1.267 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.217 -6.531 2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.696 -6.402 0.453 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.847 -7.100 2.511 1.00 0.00 H new ATOM 310 N THR A 19 -17.790 -4.325 -3.301 1.00 0.00 N ATOM 311 CA THR A 19 -18.433 -3.879 -4.527 1.00 0.00 C ATOM 312 C THR A 19 -19.939 -3.971 -4.374 1.00 0.00 C ATOM 313 O THR A 19 -20.683 -3.852 -5.347 1.00 0.00 O ATOM 314 CB THR A 19 -17.980 -4.718 -5.732 1.00 0.00 C ATOM 315 OG1 THR A 19 -16.589 -4.985 -5.619 1.00 0.00 O ATOM 316 CG2 THR A 19 -18.250 -3.953 -7.045 1.00 0.00 C ATOM 0 H THR A 19 -17.501 -5.303 -3.317 1.00 0.00 H new ATOM 0 HA THR A 19 -18.143 -2.844 -4.708 1.00 0.00 H new ATOM 0 HB THR A 19 -18.538 -5.654 -5.746 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.444 -5.687 -4.951 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.925 -4.557 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 19 -19.317 -3.748 -7.134 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.699 -3.012 -7.038 1.00 0.00 H new ATOM 324 N THR A 20 -20.391 -4.182 -3.138 1.00 0.00 N ATOM 325 CA THR A 20 -21.825 -4.278 -2.867 1.00 0.00 C ATOM 326 C THR A 20 -22.559 -3.168 -3.609 1.00 0.00 C ATOM 327 O THR A 20 -23.774 -3.223 -3.804 1.00 0.00 O ATOM 328 CB THR A 20 -22.102 -4.178 -1.366 1.00 0.00 C ATOM 329 OG1 THR A 20 -23.506 -4.149 -1.148 1.00 0.00 O ATOM 330 CG2 THR A 20 -21.469 -2.902 -0.806 1.00 0.00 C ATOM 0 H THR A 20 -19.794 -4.289 -2.318 1.00 0.00 H new ATOM 0 HA THR A 20 -22.183 -5.247 -3.215 1.00 0.00 H new ATOM 0 HB THR A 20 -21.671 -5.042 -0.860 1.00 0.00 H new ATOM 0 HG1 THR A 20 -23.687 -4.086 -0.187 1.00 0.00 H new ATOM 0 HG21 THR A 20 -21.669 -2.836 0.263 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.392 -2.927 -0.973 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.894 -2.034 -1.309 1.00 0.00 H new ATOM 338 N LYS A 21 -21.785 -2.190 -4.065 1.00 0.00 N ATOM 339 CA LYS A 21 -22.307 -1.088 -4.841 1.00 0.00 C ATOM 340 C LYS A 21 -22.753 -1.596 -6.207 1.00 0.00 C ATOM 341 O LYS A 21 -22.809 -0.836 -7.172 1.00 0.00 O ATOM 342 CB LYS A 21 -21.216 -0.040 -5.029 1.00 0.00 C ATOM 343 CG LYS A 21 -20.928 0.626 -3.689 1.00 0.00 C ATOM 344 CD LYS A 21 -19.821 1.661 -3.866 1.00 0.00 C ATOM 345 CE LYS A 21 -19.546 2.344 -2.526 1.00 0.00 C ATOM 346 NZ LYS A 21 -18.458 3.348 -2.694 1.00 0.00 N1+ ATOM 0 H LYS A 21 -20.779 -2.145 -3.903 1.00 0.00 H new ATOM 0 HA LYS A 21 -23.156 -0.646 -4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.311 -0.505 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.532 0.705 -5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -21.830 1.104 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.628 -0.122 -2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.915 1.181 -4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.115 2.401 -4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -20.451 2.830 -2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.259 1.603 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.271 3.813 -1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.594 2.872 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.749 4.061 -3.393 1.00 0.00 H new ATOM 360 N ASP A 22 -23.065 -2.895 -6.280 1.00 0.00 N ATOM 361 CA ASP A 22 -23.506 -3.496 -7.527 1.00 0.00 C ATOM 362 C ASP A 22 -24.907 -3.010 -7.846 1.00 0.00 C ATOM 363 O ASP A 22 -25.783 -3.779 -8.240 1.00 0.00 O ATOM 364 CB ASP A 22 -23.503 -5.019 -7.409 1.00 0.00 C ATOM 365 CG ASP A 22 -23.696 -5.648 -8.784 1.00 0.00 C ATOM 366 OD1 ASP A 22 -22.863 -5.413 -9.643 1.00 0.00 O ATOM 367 OD2 ASP A 22 -24.674 -6.356 -8.957 1.00 0.00 O1- ATOM 0 H ASP A 22 -23.018 -3.540 -5.491 1.00 0.00 H new ATOM 0 HA ASP A 22 -22.824 -3.206 -8.327 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -22.562 -5.357 -6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -24.298 -5.342 -6.737 1.00 0.00 H new ATOM 372 N GLN A 23 -25.095 -1.715 -7.659 1.00 0.00 N ATOM 373 CA GLN A 23 -26.373 -1.078 -7.908 1.00 0.00 C ATOM 374 C GLN A 23 -26.811 -1.295 -9.347 1.00 0.00 C ATOM 375 O GLN A 23 -27.998 -1.225 -9.659 1.00 0.00 O ATOM 376 CB GLN A 23 -26.251 0.424 -7.598 1.00 0.00 C ATOM 377 CG GLN A 23 -25.132 1.073 -8.464 1.00 0.00 C ATOM 378 CD GLN A 23 -24.185 1.917 -7.603 1.00 0.00 C ATOM 379 OE1 GLN A 23 -24.598 2.928 -7.033 1.00 0.00 O ATOM 380 NE2 GLN A 23 -22.930 1.556 -7.479 1.00 0.00 N ATOM 0 H GLN A 23 -24.368 -1.079 -7.331 1.00 0.00 H new ATOM 0 HA GLN A 23 -27.131 -1.522 -7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -27.202 0.919 -7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -26.028 0.566 -6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -24.566 0.294 -8.975 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -25.582 1.699 -9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.591 0.718 -7.952 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -22.293 2.113 -6.909 1.00 0.00 H new ATOM 389 N ASP A 24 -25.845 -1.566 -10.212 1.00 0.00 N ATOM 390 CA ASP A 24 -26.127 -1.806 -11.618 1.00 0.00 C ATOM 391 C ASP A 24 -24.860 -2.281 -12.321 1.00 0.00 C ATOM 392 O ASP A 24 -24.875 -2.564 -13.518 1.00 0.00 O ATOM 393 CB ASP A 24 -26.639 -0.510 -12.273 1.00 0.00 C ATOM 394 CG ASP A 24 -28.158 -0.370 -12.131 1.00 0.00 C ATOM 395 OD1 ASP A 24 -28.813 -1.359 -11.847 1.00 0.00 O ATOM 396 OD2 ASP A 24 -28.645 0.734 -12.309 1.00 0.00 O1- ATOM 0 H ASP A 24 -24.857 -1.625 -9.964 1.00 0.00 H new ATOM 0 HA ASP A 24 -26.894 -2.576 -11.707 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -26.149 0.349 -11.814 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -26.369 -0.504 -13.329 1.00 0.00 H new ATOM 401 N LEU A 25 -23.773 -2.358 -11.568 1.00 0.00 N ATOM 402 CA LEU A 25 -22.493 -2.785 -12.136 1.00 0.00 C ATOM 403 C LEU A 25 -22.565 -4.205 -12.659 1.00 0.00 C ATOM 404 O LEU A 25 -23.515 -4.946 -12.405 1.00 0.00 O ATOM 405 CB LEU A 25 -21.361 -2.674 -11.108 1.00 0.00 C ATOM 406 CG LEU A 25 -20.747 -1.270 -11.115 1.00 0.00 C ATOM 407 CD1 LEU A 25 -21.815 -0.246 -10.735 1.00 0.00 C ATOM 408 CD2 LEU A 25 -19.605 -1.210 -10.096 1.00 0.00 C ATOM 0 H LEU A 25 -23.745 -2.134 -10.573 1.00 0.00 H new ATOM 0 HA LEU A 25 -22.279 -2.115 -12.969 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.745 -2.902 -10.114 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -20.591 -3.413 -11.329 1.00 0.00 H new ATOM 0 HG LEU A 25 -20.363 -1.046 -12.110 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -21.379 0.753 -10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -22.632 -0.289 -11.455 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -22.197 -0.471 -9.739 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.167 -0.212 -10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -19.992 -1.433 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.842 -1.942 -10.361 1.00 0.00 H new ATOM 420 N ARG A 26 -21.534 -4.551 -13.413 1.00 0.00 N ATOM 421 CA ARG A 26 -21.424 -5.868 -14.025 1.00 0.00 C ATOM 422 C ARG A 26 -19.993 -6.385 -13.944 1.00 0.00 C ATOM 423 O ARG A 26 -19.037 -5.654 -14.188 1.00 0.00 O ATOM 424 CB ARG A 26 -21.851 -5.773 -15.480 1.00 0.00 C ATOM 425 CG ARG A 26 -21.908 -7.173 -16.081 1.00 0.00 C ATOM 426 CD ARG A 26 -22.321 -7.071 -17.545 1.00 0.00 C ATOM 427 NE ARG A 26 -23.669 -6.524 -17.655 1.00 0.00 N ATOM 428 CZ ARG A 26 -24.741 -7.298 -17.513 1.00 0.00 C ATOM 429 NH1 ARG A 26 -24.597 -8.572 -17.270 1.00 0.00 N ATOM 430 NH2 ARG A 26 -25.936 -6.784 -17.617 1.00 0.00 N1+ ATOM 0 H ARG A 26 -20.751 -3.930 -13.618 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.070 -6.563 -13.488 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.827 -5.293 -15.554 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.148 -5.154 -16.037 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -20.935 -7.658 -15.998 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.620 -7.789 -15.532 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -21.619 -6.436 -18.084 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.282 -8.056 -18.010 1.00 0.00 H new ATOM 0 HE ARG A 26 -23.792 -5.529 -17.844 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.663 -8.973 -17.189 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.419 -9.166 -17.161 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.048 -5.788 -17.807 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.758 -7.378 -17.508 1.00 0.00 H new ATOM 444 N TRP A 27 -19.847 -7.655 -13.594 1.00 0.00 N ATOM 445 CA TRP A 27 -18.521 -8.265 -13.479 1.00 0.00 C ATOM 446 C TRP A 27 -18.148 -9.051 -14.731 1.00 0.00 C ATOM 447 O TRP A 27 -18.744 -10.084 -15.036 1.00 0.00 O ATOM 448 CB TRP A 27 -18.472 -9.217 -12.275 1.00 0.00 C ATOM 449 CG TRP A 27 -18.234 -8.468 -11.011 1.00 0.00 C ATOM 450 CD1 TRP A 27 -19.012 -7.485 -10.512 1.00 0.00 C ATOM 451 CD2 TRP A 27 -17.148 -8.650 -10.076 1.00 0.00 C ATOM 452 NE1 TRP A 27 -18.480 -7.070 -9.302 1.00 0.00 N ATOM 453 CE2 TRP A 27 -17.324 -7.761 -8.994 1.00 0.00 C ATOM 454 CE3 TRP A 27 -16.040 -9.506 -10.066 1.00 0.00 C ATOM 455 CZ2 TRP A 27 -16.424 -7.729 -7.930 1.00 0.00 C ATOM 456 CZ3 TRP A 27 -15.130 -9.475 -9.004 1.00 0.00 C ATOM 457 CH2 TRP A 27 -15.323 -8.591 -7.937 1.00 0.00 C ATOM 0 H TRP A 27 -20.623 -8.284 -13.385 1.00 0.00 H new ATOM 0 HA TRP A 27 -17.808 -7.451 -13.348 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -19.410 -9.768 -12.204 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.681 -9.952 -12.420 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -19.901 -7.088 -10.978 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -18.890 -6.345 -8.713 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -15.887 -10.195 -10.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -16.576 -7.045 -7.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -14.276 -10.136 -9.008 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -14.620 -8.574 -7.117 1.00 0.00 H new ATOM 468 N GLN A 28 -17.129 -8.566 -15.423 1.00 0.00 N ATOM 469 CA GLN A 28 -16.631 -9.231 -16.616 1.00 0.00 C ATOM 470 C GLN A 28 -15.632 -10.306 -16.209 1.00 0.00 C ATOM 471 O GLN A 28 -15.138 -10.310 -15.082 1.00 0.00 O ATOM 472 CB GLN A 28 -15.925 -8.214 -17.506 1.00 0.00 C ATOM 473 CG GLN A 28 -16.819 -6.993 -17.653 1.00 0.00 C ATOM 474 CD GLN A 28 -18.166 -7.400 -18.212 1.00 0.00 C ATOM 475 OE1 GLN A 28 -18.241 -8.018 -19.275 1.00 0.00 O ATOM 476 NE2 GLN A 28 -19.236 -7.091 -17.556 1.00 0.00 N ATOM 0 H GLN A 28 -16.629 -7.711 -15.178 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.464 -9.680 -17.157 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.967 -7.931 -17.070 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.715 -8.648 -18.483 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.949 -6.509 -16.685 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.348 -6.265 -18.313 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -19.165 -6.579 -16.677 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -20.151 -7.359 -17.918 1.00 0.00 H new ATOM 485 N SER A 29 -15.311 -11.194 -17.134 1.00 0.00 N ATOM 486 CA SER A 29 -14.339 -12.239 -16.858 1.00 0.00 C ATOM 487 C SER A 29 -13.013 -11.593 -16.480 1.00 0.00 C ATOM 488 O SER A 29 -12.275 -12.100 -15.637 1.00 0.00 O ATOM 489 CB SER A 29 -14.155 -13.131 -18.085 1.00 0.00 C ATOM 490 OG SER A 29 -13.210 -14.151 -17.788 1.00 0.00 O ATOM 0 H SER A 29 -15.705 -11.214 -18.075 1.00 0.00 H new ATOM 0 HA SER A 29 -14.696 -12.858 -16.035 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.108 -13.575 -18.372 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.812 -12.537 -18.932 1.00 0.00 H new ATOM 0 HG SER A 29 -13.091 -14.726 -18.573 1.00 0.00 H new ATOM 496 N MET A 30 -12.721 -10.465 -17.121 1.00 0.00 N ATOM 497 CA MET A 30 -11.482 -9.744 -16.858 1.00 0.00 C ATOM 498 C MET A 30 -11.440 -9.329 -15.396 1.00 0.00 C ATOM 499 O MET A 30 -10.404 -9.390 -14.749 1.00 0.00 O ATOM 500 CB MET A 30 -11.390 -8.485 -17.726 1.00 0.00 C ATOM 501 CG MET A 30 -11.322 -8.876 -19.199 1.00 0.00 C ATOM 502 SD MET A 30 -9.784 -9.772 -19.529 1.00 0.00 S ATOM 503 CE MET A 30 -10.089 -10.112 -21.280 1.00 0.00 C ATOM 0 H MET A 30 -13.323 -10.033 -17.822 1.00 0.00 H new ATOM 0 HA MET A 30 -10.646 -10.402 -17.093 1.00 0.00 H new ATOM 0 HB2 MET A 30 -12.256 -7.847 -17.549 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.507 -7.907 -17.453 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.178 -9.498 -19.459 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.375 -7.984 -19.824 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.248 -10.668 -21.694 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.000 -10.701 -21.383 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.202 -9.171 -21.819 1.00 0.00 H new ATOM 513 N ALA A 31 -12.581 -8.925 -14.865 1.00 0.00 N ATOM 514 CA ALA A 31 -12.641 -8.511 -13.473 1.00 0.00 C ATOM 515 C ALA A 31 -11.962 -9.567 -12.606 1.00 0.00 C ATOM 516 O ALA A 31 -11.133 -9.246 -11.758 1.00 0.00 O ATOM 517 CB ALA A 31 -14.100 -8.359 -13.054 1.00 0.00 C ATOM 0 H ALA A 31 -13.467 -8.875 -15.368 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.130 -7.557 -13.348 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.148 -8.049 -12.010 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.582 -7.607 -13.679 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.614 -9.313 -13.173 1.00 0.00 H new ATOM 523 N ILE A 32 -12.303 -10.824 -12.867 1.00 0.00 N ATOM 524 CA ILE A 32 -11.739 -11.960 -12.151 1.00 0.00 C ATOM 525 C ILE A 32 -10.248 -12.079 -12.435 1.00 0.00 C ATOM 526 O ILE A 32 -9.449 -12.366 -11.548 1.00 0.00 O ATOM 527 CB ILE A 32 -12.451 -13.223 -12.609 1.00 0.00 C ATOM 528 CG1 ILE A 32 -13.947 -13.042 -12.345 1.00 0.00 C ATOM 529 CG2 ILE A 32 -11.925 -14.427 -11.819 1.00 0.00 C ATOM 530 CD1 ILE A 32 -14.736 -14.257 -12.846 1.00 0.00 C ATOM 0 H ILE A 32 -12.981 -11.084 -13.584 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.875 -11.819 -11.079 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.272 -13.399 -13.670 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.119 -12.905 -11.277 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.303 -12.140 -12.843 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.437 -15.331 -12.149 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.854 -14.534 -11.989 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.110 -14.273 -10.756 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.798 -14.108 -12.649 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.579 -14.376 -13.918 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.393 -15.153 -12.328 1.00 0.00 H new ATOM 542 N MET A 33 -9.871 -11.839 -13.679 1.00 0.00 N ATOM 543 CA MET A 33 -8.470 -11.903 -14.047 1.00 0.00 C ATOM 544 C MET A 33 -7.738 -10.885 -13.196 1.00 0.00 C ATOM 545 O MET A 33 -6.609 -11.098 -12.768 1.00 0.00 O ATOM 546 CB MET A 33 -8.282 -11.580 -15.534 1.00 0.00 C ATOM 547 CG MET A 33 -8.890 -12.694 -16.390 1.00 0.00 C ATOM 548 SD MET A 33 -7.977 -14.240 -16.135 1.00 0.00 S ATOM 549 CE MET A 33 -6.445 -13.769 -16.980 1.00 0.00 C ATOM 0 H MET A 33 -10.506 -11.601 -14.441 1.00 0.00 H new ATOM 0 HA MET A 33 -8.079 -12.907 -13.880 1.00 0.00 H new ATOM 0 HB2 MET A 33 -8.756 -10.628 -15.771 1.00 0.00 H new ATOM 0 HB3 MET A 33 -7.221 -11.473 -15.761 1.00 0.00 H new ATOM 0 HG2 MET A 33 -9.939 -12.834 -16.128 1.00 0.00 H new ATOM 0 HG3 MET A 33 -8.859 -12.413 -17.443 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.950 -14.662 -17.361 1.00 0.00 H new ATOM 0 HE2 MET A 33 -6.678 -13.101 -17.809 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.784 -13.260 -16.278 1.00 0.00 H new ATOM 559 N ALA A 34 -8.423 -9.782 -12.936 1.00 0.00 N ATOM 560 CA ALA A 34 -7.873 -8.721 -12.116 1.00 0.00 C ATOM 561 C ALA A 34 -7.530 -9.271 -10.739 1.00 0.00 C ATOM 562 O ALA A 34 -6.498 -8.919 -10.171 1.00 0.00 O ATOM 563 CB ALA A 34 -8.887 -7.569 -12.014 1.00 0.00 C ATOM 0 H ALA A 34 -9.364 -9.601 -13.284 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.961 -8.335 -12.571 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.472 -6.772 -11.397 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.100 -7.183 -13.011 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.809 -7.935 -11.562 1.00 0.00 H new ATOM 569 N LEU A 35 -8.377 -10.149 -10.206 1.00 0.00 N ATOM 570 CA LEU A 35 -8.084 -10.728 -8.905 1.00 0.00 C ATOM 571 C LEU A 35 -6.790 -11.526 -8.986 1.00 0.00 C ATOM 572 O LEU A 35 -5.980 -11.509 -8.059 1.00 0.00 O ATOM 573 CB LEU A 35 -9.228 -11.644 -8.449 1.00 0.00 C ATOM 574 CG LEU A 35 -10.369 -10.810 -7.856 1.00 0.00 C ATOM 575 CD1 LEU A 35 -10.782 -9.728 -8.837 1.00 0.00 C ATOM 576 CD2 LEU A 35 -11.575 -11.710 -7.566 1.00 0.00 C ATOM 0 H LEU A 35 -9.244 -10.465 -10.641 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.976 -9.922 -8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.595 -12.228 -9.293 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.862 -12.353 -7.706 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.024 -10.351 -6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.593 -9.139 -8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.931 -9.078 -9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.119 -10.188 -9.766 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.383 -11.111 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.913 -12.175 -8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.288 -12.485 -6.855 1.00 0.00 H new ATOM 588 N GLN A 36 -6.607 -12.231 -10.097 1.00 0.00 N ATOM 589 CA GLN A 36 -5.414 -13.036 -10.278 1.00 0.00 C ATOM 590 C GLN A 36 -4.194 -12.136 -10.390 1.00 0.00 C ATOM 591 O GLN A 36 -3.147 -12.412 -9.805 1.00 0.00 O ATOM 592 CB GLN A 36 -5.566 -13.869 -11.545 1.00 0.00 C ATOM 593 CG GLN A 36 -6.755 -14.804 -11.375 1.00 0.00 C ATOM 594 CD GLN A 36 -6.451 -15.850 -10.312 1.00 0.00 C ATOM 595 OE1 GLN A 36 -5.506 -16.627 -10.452 1.00 0.00 O ATOM 596 NE2 GLN A 36 -7.197 -15.912 -9.249 1.00 0.00 N ATOM 0 H GLN A 36 -7.265 -12.259 -10.876 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.282 -13.696 -9.420 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.716 -13.220 -12.408 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.658 -14.442 -11.731 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.639 -14.233 -11.092 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.982 -15.293 -12.323 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.979 -15.267 -9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.000 -16.606 -8.528 1.00 0.00 H new ATOM 605 N GLU A 37 -4.351 -11.043 -11.129 1.00 0.00 N ATOM 606 CA GLU A 37 -3.274 -10.092 -11.296 1.00 0.00 C ATOM 607 C GLU A 37 -2.933 -9.467 -9.954 1.00 0.00 C ATOM 608 O GLU A 37 -1.774 -9.208 -9.650 1.00 0.00 O ATOM 609 CB GLU A 37 -3.706 -8.984 -12.253 1.00 0.00 C ATOM 610 CG GLU A 37 -3.870 -9.555 -13.662 1.00 0.00 C ATOM 611 CD GLU A 37 -4.243 -8.442 -14.637 1.00 0.00 C ATOM 612 OE1 GLU A 37 -4.462 -7.331 -14.182 1.00 0.00 O ATOM 613 OE2 GLU A 37 -4.303 -8.717 -15.824 1.00 0.00 O1- ATOM 0 H GLU A 37 -5.213 -10.800 -11.618 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.404 -10.611 -11.699 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.645 -8.545 -11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.965 -8.185 -12.258 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.943 -10.032 -13.980 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.642 -10.325 -13.664 1.00 0.00 H new ATOM 620 N ALA A 38 -3.971 -9.197 -9.173 1.00 0.00 N ATOM 621 CA ALA A 38 -3.798 -8.566 -7.869 1.00 0.00 C ATOM 622 C ALA A 38 -3.009 -9.430 -6.898 1.00 0.00 C ATOM 623 O ALA A 38 -2.096 -8.944 -6.228 1.00 0.00 O ATOM 624 CB ALA A 38 -5.168 -8.270 -7.269 1.00 0.00 C ATOM 0 H ALA A 38 -4.939 -9.404 -9.418 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.231 -7.648 -8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.044 -7.798 -6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.717 -7.599 -7.930 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.723 -9.201 -7.154 1.00 0.00 H new ATOM 630 N SER A 39 -3.372 -10.697 -6.798 1.00 0.00 N ATOM 631 CA SER A 39 -2.689 -11.585 -5.870 1.00 0.00 C ATOM 632 C SER A 39 -1.234 -11.796 -6.263 1.00 0.00 C ATOM 633 O SER A 39 -0.335 -11.705 -5.426 1.00 0.00 O ATOM 634 CB SER A 39 -3.409 -12.932 -5.806 1.00 0.00 C ATOM 635 OG SER A 39 -2.719 -13.790 -4.907 1.00 0.00 O ATOM 0 H SER A 39 -4.122 -11.130 -7.337 1.00 0.00 H new ATOM 0 HA SER A 39 -2.707 -11.114 -4.887 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.438 -12.792 -5.476 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.451 -13.383 -6.798 1.00 0.00 H new ATOM 0 HG SER A 39 -3.179 -14.654 -4.862 1.00 0.00 H new ATOM 641 N GLU A 40 -1.008 -12.089 -7.535 1.00 0.00 N ATOM 642 CA GLU A 40 0.347 -12.328 -8.018 1.00 0.00 C ATOM 643 C GLU A 40 1.160 -11.033 -8.031 1.00 0.00 C ATOM 644 O GLU A 40 2.365 -11.049 -7.802 1.00 0.00 O ATOM 645 CB GLU A 40 0.292 -12.931 -9.428 1.00 0.00 C ATOM 646 CG GLU A 40 -0.153 -11.873 -10.438 1.00 0.00 C ATOM 647 CD GLU A 40 -0.436 -12.530 -11.785 1.00 0.00 C ATOM 648 OE1 GLU A 40 -0.393 -13.747 -11.849 1.00 0.00 O ATOM 649 OE2 GLU A 40 -0.686 -11.806 -12.735 1.00 0.00 O1- ATOM 0 H GLU A 40 -1.735 -12.167 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 40 0.838 -13.028 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.273 -13.318 -9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.399 -13.773 -9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.047 -11.365 -10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.622 -11.114 -10.549 1.00 0.00 H new ATOM 656 N ALA A 41 0.491 -9.918 -8.296 1.00 0.00 N ATOM 657 CA ALA A 41 1.162 -8.624 -8.334 1.00 0.00 C ATOM 658 C ALA A 41 1.612 -8.221 -6.949 1.00 0.00 C ATOM 659 O ALA A 41 2.712 -7.701 -6.763 1.00 0.00 O ATOM 660 CB ALA A 41 0.227 -7.551 -8.901 1.00 0.00 C ATOM 0 H ALA A 41 -0.510 -9.883 -8.487 1.00 0.00 H new ATOM 0 HA ALA A 41 2.035 -8.714 -8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.744 -6.592 -8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.070 -7.825 -9.913 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.659 -7.471 -8.272 1.00 0.00 H new ATOM 1214 N ALA A 75 -5.786 -7.811 5.108 1.00 0.00 N ATOM 1215 CA ALA A 75 -6.315 -6.487 5.381 1.00 0.00 C ATOM 1216 C ALA A 75 -5.769 -5.484 4.380 1.00 0.00 C ATOM 1217 O ALA A 75 -6.442 -4.535 3.984 1.00 0.00 O ATOM 1218 CB ALA A 75 -5.976 -6.037 6.799 1.00 0.00 C ATOM 0 HA ALA A 75 -7.400 -6.537 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.386 -5.042 6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.406 -6.737 7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.893 -6.010 6.923 1.00 0.00 H new ATOM 1224 N VAL A 76 -4.536 -5.707 3.984 1.00 0.00 N ATOM 1225 CA VAL A 76 -3.882 -4.850 3.034 1.00 0.00 C ATOM 1226 C VAL A 76 -4.520 -5.035 1.671 1.00 0.00 C ATOM 1227 O VAL A 76 -4.745 -4.068 0.944 1.00 0.00 O ATOM 1228 CB VAL A 76 -2.390 -5.173 3.031 1.00 0.00 C ATOM 1229 CG1 VAL A 76 -1.707 -4.484 1.858 1.00 0.00 C ATOM 1230 CG2 VAL A 76 -1.768 -4.673 4.353 1.00 0.00 C ATOM 0 H VAL A 76 -3.964 -6.485 4.313 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.996 -3.800 3.305 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.253 -6.250 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.643 -4.721 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.149 -4.831 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.839 -3.405 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.702 -4.899 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.912 -3.596 4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.251 -5.171 5.194 1.00 0.00 H new ATOM 1240 N LEU A 77 -4.853 -6.280 1.344 1.00 0.00 N ATOM 1241 CA LEU A 77 -5.515 -6.545 0.074 1.00 0.00 C ATOM 1242 C LEU A 77 -6.892 -5.936 0.103 1.00 0.00 C ATOM 1243 O LEU A 77 -7.362 -5.382 -0.879 1.00 0.00 O ATOM 1244 CB LEU A 77 -5.628 -8.033 -0.205 1.00 0.00 C ATOM 1245 CG LEU A 77 -4.245 -8.601 -0.555 1.00 0.00 C ATOM 1246 CD1 LEU A 77 -4.340 -10.125 -0.626 1.00 0.00 C ATOM 1247 CD2 LEU A 77 -3.761 -8.055 -1.920 1.00 0.00 C ATOM 0 H LEU A 77 -4.681 -7.101 1.924 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.915 -6.103 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.032 -8.547 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.322 -8.207 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.532 -8.300 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.363 -10.539 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.665 -10.515 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.060 -10.409 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.779 -8.469 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.468 -8.343 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.695 -6.968 -1.874 1.00 0.00 H new ATOM 1259 N LYS A 78 -7.520 -6.036 1.257 1.00 0.00 N ATOM 1260 CA LYS A 78 -8.828 -5.489 1.452 1.00 0.00 C ATOM 1261 C LYS A 78 -8.799 -4.000 1.165 1.00 0.00 C ATOM 1262 O LYS A 78 -9.666 -3.475 0.475 1.00 0.00 O ATOM 1263 CB LYS A 78 -9.246 -5.777 2.887 1.00 0.00 C ATOM 1264 CG LYS A 78 -10.491 -5.004 3.236 1.00 0.00 C ATOM 1265 CD LYS A 78 -11.053 -5.513 4.560 1.00 0.00 C ATOM 1266 CE LYS A 78 -12.233 -4.641 4.959 1.00 0.00 C ATOM 1267 NZ LYS A 78 -12.821 -5.140 6.234 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.131 -6.499 2.078 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.552 -5.940 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.426 -6.845 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.439 -5.507 3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.263 -3.941 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.234 -5.116 2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.368 -6.552 4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.284 -5.484 5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.909 -3.607 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.987 -4.651 4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.627 -4.541 6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.145 -6.120 6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.101 -5.108 6.984 1.00 0.00 H new ATOM 1281 N SER A 79 -7.774 -3.333 1.664 1.00 0.00 N ATOM 1282 CA SER A 79 -7.626 -1.915 1.411 1.00 0.00 C ATOM 1283 C SER A 79 -7.497 -1.677 -0.086 1.00 0.00 C ATOM 1284 O SER A 79 -8.134 -0.784 -0.644 1.00 0.00 O ATOM 1285 CB SER A 79 -6.398 -1.389 2.143 1.00 0.00 C ATOM 1286 OG SER A 79 -6.148 -0.046 1.748 1.00 0.00 O ATOM 0 H SER A 79 -7.041 -3.746 2.240 1.00 0.00 H new ATOM 0 HA SER A 79 -8.504 -1.383 1.777 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.555 -1.439 3.220 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.533 -2.012 1.918 1.00 0.00 H new ATOM 0 HG SER A 79 -5.359 0.292 2.220 1.00 0.00 H new ATOM 1292 N PHE A 80 -6.687 -2.506 -0.736 1.00 0.00 N ATOM 1293 CA PHE A 80 -6.502 -2.403 -2.169 1.00 0.00 C ATOM 1294 C PHE A 80 -7.829 -2.629 -2.886 1.00 0.00 C ATOM 1295 O PHE A 80 -8.228 -1.827 -3.721 1.00 0.00 O ATOM 1296 CB PHE A 80 -5.459 -3.437 -2.622 1.00 0.00 C ATOM 1297 CG PHE A 80 -5.602 -3.704 -4.104 1.00 0.00 C ATOM 1298 CD1 PHE A 80 -5.316 -2.695 -5.019 1.00 0.00 C ATOM 1299 CD2 PHE A 80 -6.052 -4.956 -4.550 1.00 0.00 C ATOM 1300 CE1 PHE A 80 -5.477 -2.925 -6.386 1.00 0.00 C ATOM 1301 CE2 PHE A 80 -6.210 -5.189 -5.918 1.00 0.00 C ATOM 1302 CZ PHE A 80 -5.926 -4.175 -6.840 1.00 0.00 C ATOM 0 H PHE A 80 -6.153 -3.252 -0.291 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.145 -1.404 -2.420 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.455 -3.071 -2.406 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.588 -4.364 -2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.969 -1.733 -4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.275 -5.737 -3.838 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.256 -2.141 -7.095 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.552 -6.153 -6.265 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.052 -4.354 -7.898 1.00 0.00 H new ATOM 1312 N LEU A 81 -8.504 -3.730 -2.568 1.00 0.00 N ATOM 1313 CA LEU A 81 -9.766 -4.020 -3.223 1.00 0.00 C ATOM 1314 C LEU A 81 -10.763 -2.902 -2.955 1.00 0.00 C ATOM 1315 O LEU A 81 -11.377 -2.403 -3.867 1.00 0.00 O ATOM 1316 CB LEU A 81 -10.373 -5.322 -2.707 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.490 -6.524 -3.080 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -10.076 -7.784 -2.428 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.431 -6.707 -4.613 1.00 0.00 C ATOM 0 H LEU A 81 -8.204 -4.418 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.564 -4.110 -4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.486 -5.271 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.370 -5.454 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.476 -6.350 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.460 -8.646 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.094 -7.659 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.091 -7.943 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.801 -7.563 -4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.436 -6.877 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.014 -5.810 -5.071 1.00 0.00 H new ATOM 1331 N GLU A 82 -10.902 -2.502 -1.698 1.00 0.00 N ATOM 1332 CA GLU A 82 -11.840 -1.442 -1.338 1.00 0.00 C ATOM 1333 C GLU A 82 -11.552 -0.174 -2.122 1.00 0.00 C ATOM 1334 O GLU A 82 -12.454 0.429 -2.706 1.00 0.00 O ATOM 1335 CB GLU A 82 -11.696 -1.157 0.152 1.00 0.00 C ATOM 1336 CG GLU A 82 -12.276 -2.325 0.953 1.00 0.00 C ATOM 1337 CD GLU A 82 -13.798 -2.237 0.991 1.00 0.00 C ATOM 1338 OE1 GLU A 82 -14.332 -1.277 0.460 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -14.409 -3.132 1.554 1.00 0.00 O1- ATOM 0 H GLU A 82 -10.381 -2.892 -0.913 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.854 -1.766 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.646 -1.014 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.215 -0.233 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.971 -3.270 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.879 -2.312 1.968 1.00 0.00 H new ATOM 1346 N SER A 83 -10.291 0.210 -2.158 1.00 0.00 N ATOM 1347 CA SER A 83 -9.896 1.393 -2.909 1.00 0.00 C ATOM 1348 C SER A 83 -10.197 1.188 -4.379 1.00 0.00 C ATOM 1349 O SER A 83 -10.617 2.107 -5.076 1.00 0.00 O ATOM 1350 CB SER A 83 -8.407 1.667 -2.734 1.00 0.00 C ATOM 1351 OG SER A 83 -8.053 2.827 -3.474 1.00 0.00 O ATOM 0 H SER A 83 -9.527 -0.271 -1.683 1.00 0.00 H new ATOM 0 HA SER A 83 -10.459 2.246 -2.531 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.173 1.809 -1.679 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.825 0.811 -3.077 1.00 0.00 H new ATOM 0 HG SER A 83 -7.096 3.007 -3.362 1.00 0.00 H new ATOM 1357 N VAL A 84 -9.960 -0.030 -4.847 1.00 0.00 N ATOM 1358 CA VAL A 84 -10.191 -0.353 -6.244 1.00 0.00 C ATOM 1359 C VAL A 84 -11.644 -0.116 -6.623 1.00 0.00 C ATOM 1360 O VAL A 84 -11.928 0.360 -7.711 1.00 0.00 O ATOM 1361 CB VAL A 84 -9.814 -1.813 -6.532 1.00 0.00 C ATOM 1362 CG1 VAL A 84 -10.339 -2.229 -7.912 1.00 0.00 C ATOM 1363 CG2 VAL A 84 -8.278 -1.984 -6.476 1.00 0.00 C ATOM 0 H VAL A 84 -9.610 -0.804 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.560 0.302 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.269 -2.451 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -10.067 -3.266 -8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.424 -2.128 -7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.900 -1.588 -8.677 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.020 -3.023 -6.682 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.813 -1.340 -7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.917 -1.710 -5.485 1.00 0.00 H new ATOM 1373 N ILE A 85 -12.557 -0.462 -5.733 1.00 0.00 N ATOM 1374 CA ILE A 85 -13.968 -0.280 -6.012 1.00 0.00 C ATOM 1375 C ILE A 85 -14.245 1.203 -6.092 1.00 0.00 C ATOM 1376 O ILE A 85 -14.984 1.669 -6.956 1.00 0.00 O ATOM 1377 CB ILE A 85 -14.799 -0.869 -4.879 1.00 0.00 C ATOM 1378 CG1 ILE A 85 -14.304 -2.288 -4.566 1.00 0.00 C ATOM 1379 CG2 ILE A 85 -16.293 -0.880 -5.256 1.00 0.00 C ATOM 1380 CD1 ILE A 85 -14.418 -3.242 -5.750 1.00 0.00 C ATOM 0 H ILE A 85 -12.349 -0.867 -4.820 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.227 -0.777 -6.947 1.00 0.00 H new ATOM 0 HB ILE A 85 -14.684 -0.251 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -13.263 -2.240 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -14.876 -2.689 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -16.872 -1.304 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -16.627 0.140 -5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -16.438 -1.484 -6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -14.051 -4.227 -5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -15.461 -3.319 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -13.823 -2.863 -6.581 1.00 0.00 H new ATOM 1392 N ARG A 86 -13.637 1.942 -5.174 1.00 0.00 N ATOM 1393 CA ARG A 86 -13.819 3.374 -5.146 1.00 0.00 C ATOM 1394 C ARG A 86 -13.277 3.991 -6.419 1.00 0.00 C ATOM 1395 O ARG A 86 -13.886 4.887 -6.993 1.00 0.00 O ATOM 1396 CB ARG A 86 -13.105 3.954 -3.920 1.00 0.00 C ATOM 1397 CG ARG A 86 -13.896 3.636 -2.638 1.00 0.00 C ATOM 1398 CD ARG A 86 -15.020 4.664 -2.428 1.00 0.00 C ATOM 1399 NE ARG A 86 -14.458 6.004 -2.296 1.00 0.00 N ATOM 1400 CZ ARG A 86 -13.982 6.440 -1.133 1.00 0.00 C ATOM 1401 NH1 ARG A 86 -14.006 5.663 -0.085 1.00 0.00 N ATOM 1402 NH2 ARG A 86 -13.489 7.645 -1.042 1.00 0.00 N1+ ATOM 0 H ARG A 86 -13.022 1.573 -4.449 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.882 3.605 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.100 3.539 -3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.998 5.033 -4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.320 2.634 -2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.225 3.642 -1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.713 4.633 -3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.592 4.412 -1.535 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.430 6.618 -3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.390 4.721 -0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.641 5.998 0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.469 8.251 -1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.124 7.981 -0.151 1.00 0.00 H new ATOM 1416 N ASP A 87 -12.135 3.495 -6.861 1.00 0.00 N ATOM 1417 CA ASP A 87 -11.520 3.996 -8.074 1.00 0.00 C ATOM 1418 C ASP A 87 -12.262 3.506 -9.309 1.00 0.00 C ATOM 1419 O ASP A 87 -12.341 4.187 -10.330 1.00 0.00 O ATOM 1420 CB ASP A 87 -10.069 3.525 -8.133 1.00 0.00 C ATOM 1421 CG ASP A 87 -9.235 4.267 -7.093 1.00 0.00 C ATOM 1422 OD1 ASP A 87 -9.723 5.250 -6.563 1.00 0.00 O ATOM 1423 OD2 ASP A 87 -8.119 3.839 -6.844 1.00 0.00 O1- ATOM 0 H ASP A 87 -11.617 2.748 -6.399 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.563 5.085 -8.059 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.019 2.451 -7.952 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.662 3.699 -9.129 1.00 0.00 H new ATOM 1428 N SER A 88 -12.767 2.299 -9.195 1.00 0.00 N ATOM 1429 CA SER A 88 -13.474 1.635 -10.287 1.00 0.00 C ATOM 1430 C SER A 88 -14.823 2.258 -10.529 1.00 0.00 C ATOM 1431 O SER A 88 -15.193 2.549 -11.660 1.00 0.00 O ATOM 1432 CB SER A 88 -13.653 0.151 -9.984 1.00 0.00 C ATOM 1433 OG SER A 88 -14.311 -0.474 -11.077 1.00 0.00 O ATOM 0 H SER A 88 -12.703 1.741 -8.343 1.00 0.00 H new ATOM 0 HA SER A 88 -12.869 1.755 -11.185 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.683 -0.317 -9.812 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.235 0.022 -9.072 1.00 0.00 H new ATOM 0 HG SER A 88 -14.427 -1.428 -10.887 1.00 0.00 H new ATOM 1439 N VAL A 89 -15.550 2.476 -9.454 1.00 0.00 N ATOM 1440 CA VAL A 89 -16.847 3.084 -9.557 1.00 0.00 C ATOM 1441 C VAL A 89 -16.633 4.487 -10.065 1.00 0.00 C ATOM 1442 O VAL A 89 -17.394 4.998 -10.868 1.00 0.00 O ATOM 1443 CB VAL A 89 -17.546 3.088 -8.193 1.00 0.00 C ATOM 1444 CG1 VAL A 89 -18.860 3.851 -8.304 1.00 0.00 C ATOM 1445 CG2 VAL A 89 -17.831 1.645 -7.756 1.00 0.00 C ATOM 0 H VAL A 89 -15.261 2.240 -8.505 1.00 0.00 H new ATOM 0 HA VAL A 89 -17.490 2.527 -10.239 1.00 0.00 H new ATOM 0 HB VAL A 89 -16.902 3.569 -7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -19.361 3.856 -7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -18.660 4.876 -8.615 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -19.501 3.367 -9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -18.328 1.650 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -18.475 1.163 -8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -16.893 1.096 -7.680 1.00 0.00 H new ATOM 1455 N THR A 90 -15.558 5.090 -9.588 1.00 0.00 N ATOM 1456 CA THR A 90 -15.194 6.433 -9.979 1.00 0.00 C ATOM 1457 C THR A 90 -14.905 6.537 -11.476 1.00 0.00 C ATOM 1458 O THR A 90 -15.430 7.418 -12.156 1.00 0.00 O ATOM 1459 CB THR A 90 -13.970 6.861 -9.173 1.00 0.00 C ATOM 1460 OG1 THR A 90 -14.337 7.002 -7.808 1.00 0.00 O ATOM 1461 CG2 THR A 90 -13.417 8.188 -9.700 1.00 0.00 C ATOM 0 H THR A 90 -14.917 4.661 -8.921 1.00 0.00 H new ATOM 0 HA THR A 90 -16.035 7.094 -9.773 1.00 0.00 H new ATOM 0 HB THR A 90 -13.195 6.101 -9.272 1.00 0.00 H new ATOM 0 HG1 THR A 90 -14.422 6.116 -7.399 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.545 8.477 -9.114 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.130 8.073 -10.745 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.182 8.960 -9.617 1.00 0.00 H new ATOM 1469 N TYR A 91 -14.073 5.636 -11.984 1.00 0.00 N ATOM 1470 CA TYR A 91 -13.735 5.646 -13.403 1.00 0.00 C ATOM 1471 C TYR A 91 -14.921 5.177 -14.220 1.00 0.00 C ATOM 1472 O TYR A 91 -15.170 5.678 -15.316 1.00 0.00 O ATOM 1473 CB TYR A 91 -12.520 4.747 -13.687 1.00 0.00 C ATOM 1474 CG TYR A 91 -11.225 5.480 -13.368 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -10.890 6.646 -14.076 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -10.355 4.999 -12.373 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -9.700 7.325 -13.789 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -9.166 5.682 -12.090 1.00 0.00 C ATOM 1479 CZ TYR A 91 -8.840 6.845 -12.797 1.00 0.00 C ATOM 1480 OH TYR A 91 -7.667 7.516 -12.516 1.00 0.00 O ATOM 0 H TYR A 91 -13.624 4.897 -11.443 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.480 6.668 -13.685 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -12.586 3.838 -13.090 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.523 4.442 -14.733 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.552 7.019 -14.843 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.604 4.102 -11.826 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.446 8.221 -14.335 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.500 5.311 -11.325 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.187 7.050 -11.800 1.00 0.00 H new ATOM 1490 N THR A 92 -15.663 4.218 -13.688 1.00 0.00 N ATOM 1491 CA THR A 92 -16.822 3.733 -14.413 1.00 0.00 C ATOM 1492 C THR A 92 -17.861 4.829 -14.427 1.00 0.00 C ATOM 1493 O THR A 92 -18.401 5.175 -15.473 1.00 0.00 O ATOM 1494 CB THR A 92 -17.393 2.481 -13.756 1.00 0.00 C ATOM 1495 OG1 THR A 92 -17.592 2.734 -12.390 1.00 0.00 O ATOM 1496 CG2 THR A 92 -16.447 1.295 -13.942 1.00 0.00 C ATOM 0 H THR A 92 -15.491 3.773 -12.786 1.00 0.00 H new ATOM 0 HA THR A 92 -16.531 3.469 -15.430 1.00 0.00 H new ATOM 0 HB THR A 92 -18.344 2.229 -14.226 1.00 0.00 H new ATOM 0 HG1 THR A 92 -16.826 2.397 -11.880 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.873 0.412 -13.466 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.309 1.103 -15.006 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.483 1.523 -13.487 1.00 0.00 H new ATOM 1504 N GLU A 93 -18.090 5.420 -13.268 1.00 0.00 N ATOM 1505 CA GLU A 93 -19.027 6.521 -13.182 1.00 0.00 C ATOM 1506 C GLU A 93 -18.536 7.669 -14.044 1.00 0.00 C ATOM 1507 O GLU A 93 -19.329 8.375 -14.666 1.00 0.00 O ATOM 1508 CB GLU A 93 -19.189 6.981 -11.745 1.00 0.00 C ATOM 1509 CG GLU A 93 -20.018 5.950 -10.977 1.00 0.00 C ATOM 1510 CD GLU A 93 -21.480 6.040 -11.399 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -21.822 6.992 -12.079 1.00 0.00 O ATOM 1512 OE2 GLU A 93 -22.237 5.154 -11.035 1.00 0.00 O1- ATOM 0 H GLU A 93 -17.647 5.160 -12.387 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.999 6.184 -13.542 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.212 7.101 -11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.679 7.954 -11.715 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.636 4.947 -11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.929 6.125 -9.905 1.00 0.00 H new ATOM 1519 N HIS A 94 -17.218 7.835 -14.101 1.00 0.00 N ATOM 1520 CA HIS A 94 -16.650 8.892 -14.922 1.00 0.00 C ATOM 1521 C HIS A 94 -17.091 8.648 -16.344 1.00 0.00 C ATOM 1522 O HIS A 94 -17.419 9.566 -17.093 1.00 0.00 O ATOM 1523 CB HIS A 94 -15.125 8.883 -14.841 1.00 0.00 C ATOM 1524 CG HIS A 94 -14.575 10.032 -15.640 1.00 0.00 C ATOM 1525 ND1 HIS A 94 -14.692 11.348 -15.220 1.00 0.00 N ATOM 1526 CD2 HIS A 94 -13.904 10.079 -16.837 1.00 0.00 C ATOM 1527 CE1 HIS A 94 -14.106 12.124 -16.150 1.00 0.00 C ATOM 1528 NE2 HIS A 94 -13.607 11.402 -17.156 1.00 0.00 N ATOM 0 H HIS A 94 -16.538 7.264 -13.599 1.00 0.00 H new ATOM 0 HA HIS A 94 -16.993 9.864 -14.569 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.805 8.962 -13.802 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.735 7.940 -15.224 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.646 9.221 -17.440 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -14.047 13.201 -16.090 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.114 11.745 -17.981 1.00 0.00 H new ATOM 1536 N ALA A 95 -17.123 7.372 -16.677 1.00 0.00 N ATOM 1537 CA ALA A 95 -17.557 6.914 -17.988 1.00 0.00 C ATOM 1538 C ALA A 95 -18.987 6.407 -17.869 1.00 0.00 C ATOM 1539 O ALA A 95 -19.416 5.546 -18.632 1.00 0.00 O ATOM 1540 CB ALA A 95 -16.646 5.789 -18.483 1.00 0.00 C ATOM 0 H ALA A 95 -16.848 6.619 -16.046 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.507 7.735 -18.703 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -16.981 5.455 -19.465 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.622 6.155 -18.554 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.685 4.954 -17.783 1.00 0.00 H new ATOM 1546 N LYS A 96 -19.705 6.954 -16.876 1.00 0.00 N ATOM 1547 CA LYS A 96 -21.096 6.589 -16.588 1.00 0.00 C ATOM 1548 C LYS A 96 -21.344 5.131 -16.914 1.00 0.00 C ATOM 1549 O LYS A 96 -22.417 4.753 -17.385 1.00 0.00 O ATOM 1550 CB LYS A 96 -22.114 7.485 -17.321 1.00 0.00 C ATOM 1551 CG LYS A 96 -21.716 7.742 -18.786 1.00 0.00 C ATOM 1552 CD LYS A 96 -22.111 6.543 -19.665 1.00 0.00 C ATOM 1553 CE LYS A 96 -21.807 6.855 -21.127 1.00 0.00 C ATOM 1554 NZ LYS A 96 -22.279 5.730 -21.984 1.00 0.00 N1+ ATOM 0 H LYS A 96 -19.332 7.666 -16.248 1.00 0.00 H new ATOM 0 HA LYS A 96 -21.246 6.749 -15.520 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -23.097 7.015 -17.291 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.200 8.437 -16.798 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -22.206 8.645 -19.150 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -20.642 7.913 -18.853 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -21.564 5.654 -19.351 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -23.172 6.324 -19.543 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -22.299 7.782 -21.422 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -20.736 7.005 -21.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -22.072 5.942 -22.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -21.790 4.854 -21.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -23.305 5.607 -21.862 1.00 0.00 H new ATOM 1568 N ARG A 97 -20.330 4.328 -16.675 1.00 0.00 N ATOM 1569 CA ARG A 97 -20.398 2.905 -16.953 1.00 0.00 C ATOM 1570 C ARG A 97 -20.746 2.141 -15.696 1.00 0.00 C ATOM 1571 O ARG A 97 -20.558 2.617 -14.578 1.00 0.00 O ATOM 1572 CB ARG A 97 -19.041 2.408 -17.488 1.00 0.00 C ATOM 1573 CG ARG A 97 -19.220 1.139 -18.347 1.00 0.00 C ATOM 1574 CD ARG A 97 -19.598 1.506 -19.786 1.00 0.00 C ATOM 1575 NE ARG A 97 -18.393 1.799 -20.540 1.00 0.00 N ATOM 1576 CZ ARG A 97 -18.448 2.365 -21.742 1.00 0.00 C ATOM 1577 NH1 ARG A 97 -19.602 2.681 -22.262 1.00 0.00 N ATOM 1578 NH2 ARG A 97 -17.349 2.604 -22.402 1.00 0.00 N1+ ATOM 0 H ARG A 97 -19.440 4.638 -16.285 1.00 0.00 H new ATOM 0 HA ARG A 97 -21.171 2.736 -17.703 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.571 3.191 -18.083 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -18.372 2.196 -16.654 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.297 0.560 -18.345 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -19.994 0.506 -17.913 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -20.141 0.684 -20.252 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -20.262 2.370 -19.790 1.00 0.00 H new ATOM 0 HE ARG A 97 -17.484 1.566 -20.139 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.462 2.494 -21.747 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -19.644 3.115 -23.184 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -16.446 2.357 -21.996 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -17.392 3.038 -23.324 1.00 0.00 H new ATOM 1592 N LYS A 98 -21.244 0.948 -15.906 1.00 0.00 N ATOM 1593 CA LYS A 98 -21.613 0.059 -14.821 1.00 0.00 C ATOM 1594 C LYS A 98 -21.015 -1.312 -15.113 1.00 0.00 C ATOM 1595 O LYS A 98 -21.704 -2.223 -15.574 1.00 0.00 O ATOM 1596 CB LYS A 98 -23.137 -0.017 -14.734 1.00 0.00 C ATOM 1597 CG LYS A 98 -23.740 0.101 -16.140 1.00 0.00 C ATOM 1598 CD LYS A 98 -25.245 -0.023 -16.044 1.00 0.00 C ATOM 1599 CE LYS A 98 -25.878 0.297 -17.400 1.00 0.00 C ATOM 1600 NZ LYS A 98 -25.403 -0.687 -18.413 1.00 0.00 N1+ ATOM 0 H LYS A 98 -21.407 0.560 -16.835 1.00 0.00 H new ATOM 0 HA LYS A 98 -21.234 0.423 -13.866 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -23.439 -0.959 -14.276 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -23.515 0.783 -14.097 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -23.469 1.058 -16.586 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -23.339 -0.678 -16.788 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -25.517 -1.032 -15.734 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -25.628 0.658 -15.284 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -26.965 0.261 -17.324 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -25.613 1.309 -17.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -25.999 -0.626 -19.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -24.417 -0.476 -18.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -25.461 -1.647 -18.018 1.00 0.00 H new ATOM 1614 N THR A 99 -19.716 -1.431 -14.871 1.00 0.00 N ATOM 1615 CA THR A 99 -19.004 -2.671 -15.140 1.00 0.00 C ATOM 1616 C THR A 99 -17.622 -2.651 -14.492 1.00 0.00 C ATOM 1617 O THR A 99 -16.987 -1.599 -14.406 1.00 0.00 O ATOM 1618 CB THR A 99 -18.855 -2.838 -16.653 1.00 0.00 C ATOM 1619 OG1 THR A 99 -20.141 -2.838 -17.257 1.00 0.00 O ATOM 1620 CG2 THR A 99 -18.148 -4.151 -16.955 1.00 0.00 C ATOM 0 H THR A 99 -19.135 -0.684 -14.489 1.00 0.00 H new ATOM 0 HA THR A 99 -19.569 -3.504 -14.722 1.00 0.00 H new ATOM 0 HB THR A 99 -18.266 -2.013 -17.053 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.810 -3.129 -16.603 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.043 -4.268 -18.034 1.00 0.00 H new ATOM 0 HG22 THR A 99 -17.161 -4.148 -16.493 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.733 -4.979 -16.556 1.00 0.00 H new ATOM 1628 N VAL A 100 -17.140 -3.818 -14.059 1.00 0.00 N ATOM 1629 CA VAL A 100 -15.808 -3.912 -13.450 1.00 0.00 C ATOM 1630 C VAL A 100 -14.876 -4.603 -14.434 1.00 0.00 C ATOM 1631 O VAL A 100 -15.148 -5.720 -14.871 1.00 0.00 O ATOM 1632 CB VAL A 100 -15.861 -4.725 -12.153 1.00 0.00 C ATOM 1633 CG1 VAL A 100 -14.488 -4.701 -11.470 1.00 0.00 C ATOM 1634 CG2 VAL A 100 -16.904 -4.116 -11.216 1.00 0.00 C ATOM 0 H VAL A 100 -17.644 -4.703 -14.117 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.449 -2.910 -13.216 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.131 -5.756 -12.384 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.530 -5.281 -10.548 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.742 -5.134 -12.137 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.214 -3.671 -11.239 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.944 -4.693 -10.292 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.631 -3.085 -10.989 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -17.881 -4.135 -11.698 1.00 0.00 H new ATOM 1644 N THR A 101 -13.784 -3.933 -14.797 1.00 0.00 N ATOM 1645 CA THR A 101 -12.830 -4.498 -15.752 1.00 0.00 C ATOM 1646 C THR A 101 -11.432 -4.521 -15.164 1.00 0.00 C ATOM 1647 O THR A 101 -11.079 -3.681 -14.337 1.00 0.00 O ATOM 1648 CB THR A 101 -12.821 -3.647 -17.026 1.00 0.00 C ATOM 1649 OG1 THR A 101 -12.366 -2.339 -16.713 1.00 0.00 O ATOM 1650 CG2 THR A 101 -14.238 -3.565 -17.601 1.00 0.00 C ATOM 0 H THR A 101 -13.538 -3.006 -14.449 1.00 0.00 H new ATOM 0 HA THR A 101 -13.134 -5.519 -15.982 1.00 0.00 H new ATOM 0 HB THR A 101 -12.157 -4.103 -17.761 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.357 -1.792 -17.526 1.00 0.00 H new ATOM 0 HG21 THR A 101 -14.229 -2.959 -18.507 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.593 -4.568 -17.839 1.00 0.00 H new ATOM 0 HG23 THR A 101 -14.903 -3.110 -16.867 1.00 0.00 H new ATOM 1658 N SER A 102 -10.635 -5.484 -15.607 1.00 0.00 N ATOM 1659 CA SER A 102 -9.269 -5.597 -15.127 1.00 0.00 C ATOM 1660 C SER A 102 -8.498 -4.357 -15.512 1.00 0.00 C ATOM 1661 O SER A 102 -7.464 -4.037 -14.933 1.00 0.00 O ATOM 1662 CB SER A 102 -8.580 -6.812 -15.743 1.00 0.00 C ATOM 1663 OG SER A 102 -8.455 -6.616 -17.144 1.00 0.00 O ATOM 0 H SER A 102 -10.909 -6.190 -16.290 1.00 0.00 H new ATOM 0 HA SER A 102 -9.292 -5.710 -14.043 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.597 -6.954 -15.294 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.157 -7.714 -15.540 1.00 0.00 H new ATOM 0 HG SER A 102 -8.012 -7.393 -17.545 1.00 0.00 H new ATOM 1669 N LEU A 103 -9.013 -3.676 -16.508 1.00 0.00 N ATOM 1670 CA LEU A 103 -8.387 -2.471 -16.999 1.00 0.00 C ATOM 1671 C LEU A 103 -8.486 -1.368 -15.955 1.00 0.00 C ATOM 1672 O LEU A 103 -7.500 -0.703 -15.641 1.00 0.00 O ATOM 1673 CB LEU A 103 -9.097 -2.054 -18.295 1.00 0.00 C ATOM 1674 CG LEU A 103 -8.362 -2.599 -19.526 1.00 0.00 C ATOM 1675 CD1 LEU A 103 -8.453 -4.128 -19.564 1.00 0.00 C ATOM 1676 CD2 LEU A 103 -9.018 -2.022 -20.775 1.00 0.00 C ATOM 0 H LEU A 103 -9.869 -3.938 -16.997 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.330 -2.649 -17.199 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.123 -2.423 -18.287 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.150 -0.967 -18.351 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.311 -2.313 -19.481 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.927 -4.502 -20.443 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.997 -4.542 -18.665 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.499 -4.429 -19.612 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.508 -2.399 -21.661 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.066 -2.319 -20.806 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.950 -0.934 -20.752 1.00 0.00 H new ATOM 1688 N ASP A 104 -9.675 -1.186 -15.418 1.00 0.00 N ATOM 1689 CA ASP A 104 -9.880 -0.175 -14.409 1.00 0.00 C ATOM 1690 C ASP A 104 -9.054 -0.534 -13.191 1.00 0.00 C ATOM 1691 O ASP A 104 -8.513 0.332 -12.507 1.00 0.00 O ATOM 1692 CB ASP A 104 -11.368 -0.103 -14.061 1.00 0.00 C ATOM 1693 CG ASP A 104 -11.709 1.239 -13.434 1.00 0.00 C ATOM 1694 OD1 ASP A 104 -10.813 1.870 -12.897 1.00 0.00 O ATOM 1695 OD2 ASP A 104 -12.866 1.618 -13.508 1.00 0.00 O1- ATOM 0 H ASP A 104 -10.507 -1.722 -15.663 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.567 0.803 -14.774 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -11.965 -0.252 -14.961 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.625 -0.908 -13.372 1.00 0.00 H new ATOM 1700 N VAL A 105 -8.936 -1.832 -12.948 1.00 0.00 N ATOM 1701 CA VAL A 105 -8.136 -2.310 -11.833 1.00 0.00 C ATOM 1702 C VAL A 105 -6.693 -1.912 -12.072 1.00 0.00 C ATOM 1703 O VAL A 105 -6.006 -1.431 -11.173 1.00 0.00 O ATOM 1704 CB VAL A 105 -8.249 -3.830 -11.724 1.00 0.00 C ATOM 1705 CG1 VAL A 105 -7.237 -4.346 -10.689 1.00 0.00 C ATOM 1706 CG2 VAL A 105 -9.679 -4.216 -11.302 1.00 0.00 C ATOM 0 H VAL A 105 -9.379 -2.565 -13.502 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.493 -1.870 -10.902 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.032 -4.281 -12.692 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.317 -5.430 -10.611 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.228 -4.078 -11.002 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.447 -3.896 -9.719 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.755 -5.301 -11.225 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.907 -3.767 -10.335 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.388 -3.854 -12.046 1.00 0.00 H new ATOM 1716 N VAL A 106 -6.255 -2.094 -13.310 1.00 0.00 N ATOM 1717 CA VAL A 106 -4.910 -1.729 -13.698 1.00 0.00 C ATOM 1718 C VAL A 106 -4.705 -0.231 -13.519 1.00 0.00 C ATOM 1719 O VAL A 106 -3.659 0.214 -13.052 1.00 0.00 O ATOM 1720 CB VAL A 106 -4.661 -2.159 -15.152 1.00 0.00 C ATOM 1721 CG1 VAL A 106 -3.426 -1.453 -15.703 1.00 0.00 C ATOM 1722 CG2 VAL A 106 -4.418 -3.673 -15.184 1.00 0.00 C ATOM 0 H VAL A 106 -6.817 -2.494 -14.061 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.190 -2.243 -13.061 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.528 -1.896 -15.759 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.258 -1.765 -16.734 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.579 -0.374 -15.670 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.557 -1.715 -15.099 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.240 -3.991 -16.211 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.548 -3.915 -14.573 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.293 -4.190 -14.790 1.00 0.00 H new ATOM 1732 N TYR A 107 -5.719 0.536 -13.879 1.00 0.00 N ATOM 1733 CA TYR A 107 -5.661 1.976 -13.741 1.00 0.00 C ATOM 1734 C TYR A 107 -5.518 2.305 -12.264 1.00 0.00 C ATOM 1735 O TYR A 107 -4.742 3.180 -11.874 1.00 0.00 O ATOM 1736 CB TYR A 107 -6.959 2.586 -14.276 1.00 0.00 C ATOM 1737 CG TYR A 107 -7.210 2.226 -15.742 1.00 0.00 C ATOM 1738 CD1 TYR A 107 -6.280 1.496 -16.523 1.00 0.00 C ATOM 1739 CD2 TYR A 107 -8.430 2.607 -16.317 1.00 0.00 C ATOM 1740 CE1 TYR A 107 -6.582 1.169 -17.850 1.00 0.00 C ATOM 1741 CE2 TYR A 107 -8.722 2.278 -17.646 1.00 0.00 C ATOM 1742 CZ TYR A 107 -7.800 1.560 -18.410 1.00 0.00 C ATOM 1743 OH TYR A 107 -8.093 1.235 -19.720 1.00 0.00 O ATOM 0 H TYR A 107 -6.593 0.183 -14.269 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.817 2.379 -14.301 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.797 2.240 -13.671 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.918 3.670 -14.173 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.337 1.192 -16.094 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -9.150 3.158 -15.731 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.871 0.613 -18.443 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -9.663 2.580 -18.081 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.980 1.581 -19.952 1.00 0.00 H new ATOM 1753 N ALA A 108 -6.265 1.570 -11.446 1.00 0.00 N ATOM 1754 CA ALA A 108 -6.214 1.760 -10.010 1.00 0.00 C ATOM 1755 C ALA A 108 -4.825 1.416 -9.492 1.00 0.00 C ATOM 1756 O ALA A 108 -4.267 2.134 -8.670 1.00 0.00 O ATOM 1757 CB ALA A 108 -7.259 0.883 -9.319 1.00 0.00 C ATOM 0 H ALA A 108 -6.908 0.842 -11.756 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.432 2.804 -9.787 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -7.208 1.037 -8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.253 1.151 -9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.062 -0.165 -9.545 1.00 0.00 H new ATOM 1763 N LEU A 109 -4.270 0.316 -10.002 1.00 0.00 N ATOM 1764 CA LEU A 109 -2.935 -0.123 -9.608 1.00 0.00 C ATOM 1765 C LEU A 109 -1.879 0.894 -10.030 1.00 0.00 C ATOM 1766 O LEU A 109 -0.907 1.132 -9.314 1.00 0.00 O ATOM 1767 CB LEU A 109 -2.628 -1.508 -10.220 1.00 0.00 C ATOM 1768 CG LEU A 109 -3.238 -2.647 -9.385 1.00 0.00 C ATOM 1769 CD1 LEU A 109 -3.260 -3.940 -10.215 1.00 0.00 C ATOM 1770 CD2 LEU A 109 -2.381 -2.913 -8.134 1.00 0.00 C ATOM 0 H LEU A 109 -4.726 -0.286 -10.688 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.908 -0.205 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.020 -1.552 -11.236 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.549 -1.645 -10.288 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.247 -2.353 -9.095 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.692 -4.746 -9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.861 -3.787 -11.112 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.242 -4.206 -10.501 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.826 -3.721 -7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.373 -3.196 -8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.337 -2.010 -7.524 1.00 0.00 H new