USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 837 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 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.12) USER MOD Single : A 16 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0693 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.12) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.12) USER MOD Single : A 71 GLN : amide:sc= -2.28 K(o=-2.3,f=-1.2) USER MOD Single : A 79 GLN : amide:sc= 0.928 K(o=0.93,f=-5.3!) USER MOD Single : A 80 SER OG : rot 150:sc= 0.338 USER MOD Single : A 88 ASN : amide:sc= -0.052 K(o=-0.052,f=-0.66) USER MOD Single : A 95 THR OG1 : rot 160:sc= -1.35 USER MOD Single : A 99 THR OG1 : rot 89:sc= 2.18 USER MOD Single : A 102 LYS NZ :NH3+ 165:sc= -0.067 (180deg=-0.423) USER MOD Single : A 108 SER OG : rot 180:sc= 0.221 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 172:sc= -0.671 (180deg=-0.97) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 12.357 3.850 7.050 1.00 0.00 N ATOM 126 CA LEU A 10 11.711 2.541 7.094 1.00 0.00 C ATOM 127 C LEU A 10 11.682 1.885 5.711 1.00 0.00 C ATOM 128 O LEU A 10 11.734 0.662 5.603 1.00 0.00 O ATOM 129 CB LEU A 10 10.284 2.680 7.632 1.00 0.00 C ATOM 130 CG LEU A 10 9.531 1.365 7.838 1.00 0.00 C ATOM 131 CD1 LEU A 10 10.216 0.516 8.899 1.00 0.00 C ATOM 132 CD2 LEU A 10 8.084 1.636 8.220 1.00 0.00 C ATOM 0 HA LEU A 10 12.292 1.903 7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.322 3.210 8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.713 3.302 6.943 1.00 0.00 H new ATOM 0 HG LEU A 10 9.541 0.811 6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.665 -0.415 9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.236 0.293 8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.238 1.061 9.843 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.562 0.690 8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.054 2.211 9.146 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.598 2.202 7.425 1.00 0.00 H new ATOM 144 N TRP A 11 11.612 2.705 4.665 1.00 0.00 N ATOM 145 CA TRP A 11 11.603 2.220 3.282 1.00 0.00 C ATOM 146 C TRP A 11 12.822 1.332 3.014 1.00 0.00 C ATOM 147 O TRP A 11 12.716 0.289 2.370 1.00 0.00 O ATOM 148 CB TRP A 11 11.559 3.425 2.327 1.00 0.00 C ATOM 149 CG TRP A 11 11.528 3.103 0.851 1.00 0.00 C ATOM 150 CD1 TRP A 11 11.981 3.914 -0.150 1.00 0.00 C ATOM 151 CD2 TRP A 11 11.026 1.918 0.204 1.00 0.00 C ATOM 152 NE1 TRP A 11 11.795 3.315 -1.370 1.00 0.00 N ATOM 153 CE2 TRP A 11 11.216 2.092 -1.183 1.00 0.00 C ATOM 154 CE3 TRP A 11 10.438 0.727 0.651 1.00 0.00 C ATOM 155 CZ2 TRP A 11 10.843 1.129 -2.116 1.00 0.00 C ATOM 156 CZ3 TRP A 11 10.073 -0.227 -0.277 1.00 0.00 C ATOM 157 CH2 TRP A 11 10.277 -0.023 -1.646 1.00 0.00 C ATOM 0 H TRP A 11 11.560 3.720 4.748 1.00 0.00 H new ATOM 0 HA TRP A 11 10.717 1.608 3.113 1.00 0.00 H new ATOM 0 HB2 TRP A 11 10.678 4.021 2.567 1.00 0.00 H new ATOM 0 HB3 TRP A 11 12.430 4.050 2.523 1.00 0.00 H new ATOM 0 HD1 TRP A 11 12.423 4.888 -0.002 1.00 0.00 H new ATOM 0 HE1 TRP A 11 12.048 3.718 -2.272 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.273 0.558 1.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.995 1.286 -3.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.621 -1.148 0.060 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.981 -0.791 -2.345 1.00 0.00 H new ATOM 168 N GLN A 12 13.968 1.720 3.552 1.00 0.00 N ATOM 169 CA GLN A 12 15.182 0.935 3.387 1.00 0.00 C ATOM 170 C GLN A 12 15.018 -0.439 4.041 1.00 0.00 C ATOM 171 O GLN A 12 15.434 -1.457 3.484 1.00 0.00 O ATOM 172 CB GLN A 12 16.385 1.672 3.987 1.00 0.00 C ATOM 173 CG GLN A 12 17.718 0.992 3.707 1.00 0.00 C ATOM 174 CD GLN A 12 18.045 0.940 2.227 1.00 0.00 C ATOM 175 OE1 GLN A 12 18.676 1.847 1.687 1.00 0.00 O ATOM 176 NE2 GLN A 12 17.625 -0.124 1.561 1.00 0.00 N ATOM 0 H GLN A 12 14.083 2.570 4.104 1.00 0.00 H new ATOM 0 HA GLN A 12 15.361 0.795 2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 12 16.414 2.687 3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 12 16.249 1.755 5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.511 1.524 4.232 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.696 -0.022 4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.104 -0.856 2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.822 -0.212 0.564 1.00 0.00 H new ATOM 185 N ARG A 13 14.388 -0.459 5.211 1.00 0.00 N ATOM 186 CA ARG A 13 14.125 -1.705 5.923 1.00 0.00 C ATOM 187 C ARG A 13 13.078 -2.541 5.195 1.00 0.00 C ATOM 188 O ARG A 13 13.213 -3.760 5.087 1.00 0.00 O ATOM 189 CB ARG A 13 13.653 -1.426 7.353 1.00 0.00 C ATOM 190 CG ARG A 13 14.769 -1.054 8.312 1.00 0.00 C ATOM 191 CD ARG A 13 15.807 -2.161 8.400 1.00 0.00 C ATOM 192 NE ARG A 13 16.727 -1.966 9.515 1.00 0.00 N ATOM 193 CZ ARG A 13 17.933 -2.527 9.592 1.00 0.00 C ATOM 194 NH1 ARG A 13 18.403 -3.249 8.576 1.00 0.00 N ATOM 195 NH2 ARG A 13 18.679 -2.351 10.673 1.00 0.00 N ATOM 0 H ARG A 13 14.049 0.377 5.688 1.00 0.00 H new ATOM 0 HA ARG A 13 15.060 -2.265 5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.922 -0.618 7.332 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.140 -2.309 7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.245 -0.131 7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.354 -0.861 9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.303 -3.121 8.511 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.371 -2.202 7.468 1.00 0.00 H new ATOM 0 HE ARG A 13 16.429 -1.364 10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.839 -3.374 7.735 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.327 -3.677 8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.330 -1.786 11.447 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.602 -2.781 10.731 1.00 0.00 H new ATOM 209 N LEU A 14 12.043 -1.879 4.697 1.00 0.00 N ATOM 210 CA LEU A 14 10.972 -2.553 3.974 1.00 0.00 C ATOM 211 C LEU A 14 11.518 -3.245 2.731 1.00 0.00 C ATOM 212 O LEU A 14 11.191 -4.396 2.455 1.00 0.00 O ATOM 213 CB LEU A 14 9.884 -1.553 3.575 1.00 0.00 C ATOM 214 CG LEU A 14 9.221 -0.807 4.733 1.00 0.00 C ATOM 215 CD1 LEU A 14 8.175 0.169 4.216 1.00 0.00 C ATOM 216 CD2 LEU A 14 8.597 -1.781 5.721 1.00 0.00 C ATOM 0 H LEU A 14 11.922 -0.870 4.781 1.00 0.00 H new ATOM 0 HA LEU A 14 10.538 -3.305 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.319 -0.820 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.112 -2.085 3.019 1.00 0.00 H new ATOM 0 HG LEU A 14 9.993 -0.241 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.716 0.689 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.650 0.895 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.409 -0.377 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.132 -1.225 6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.842 -2.381 5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.370 -2.436 6.124 1.00 0.00 H new ATOM 228 N LEU A 15 12.368 -2.534 1.999 1.00 0.00 N ATOM 229 CA LEU A 15 13.002 -3.072 0.804 1.00 0.00 C ATOM 230 C LEU A 15 13.912 -4.248 1.155 1.00 0.00 C ATOM 231 O LEU A 15 14.142 -5.140 0.337 1.00 0.00 O ATOM 232 CB LEU A 15 13.804 -1.968 0.110 1.00 0.00 C ATOM 233 CG LEU A 15 13.613 -1.885 -1.405 1.00 0.00 C ATOM 234 CD1 LEU A 15 14.201 -0.595 -1.947 1.00 0.00 C ATOM 235 CD2 LEU A 15 14.247 -3.081 -2.097 1.00 0.00 C ATOM 0 H LEU A 15 12.635 -1.574 2.216 1.00 0.00 H new ATOM 0 HA LEU A 15 12.228 -3.435 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.528 -1.009 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.862 -2.122 0.320 1.00 0.00 H new ATOM 0 HG LEU A 15 12.543 -1.895 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.055 -0.554 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.703 0.256 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.267 -0.559 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.098 -2.999 -3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.315 -3.104 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.783 -3.999 -1.735 1.00 0.00 H new ATOM 247 N THR A 16 14.422 -4.250 2.378 1.00 0.00 N ATOM 248 CA THR A 16 15.291 -5.322 2.838 1.00 0.00 C ATOM 249 C THR A 16 14.484 -6.585 3.146 1.00 0.00 C ATOM 250 O THR A 16 14.997 -7.705 3.047 1.00 0.00 O ATOM 251 CB THR A 16 16.088 -4.900 4.095 1.00 0.00 C ATOM 252 OG1 THR A 16 16.821 -3.695 3.831 1.00 0.00 O ATOM 253 CG2 THR A 16 17.062 -5.990 4.526 1.00 0.00 C ATOM 0 H THR A 16 14.249 -3.521 3.070 1.00 0.00 H new ATOM 0 HA THR A 16 15.994 -5.535 2.033 1.00 0.00 H new ATOM 0 HB THR A 16 15.372 -4.733 4.900 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.200 -2.938 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 16 17.606 -5.662 5.412 1.00 0.00 H new ATOM 0 HG22 THR A 16 16.510 -6.901 4.756 1.00 0.00 H new ATOM 0 HG23 THR A 16 17.768 -6.187 3.719 1.00 0.00 H new ATOM 261 N ARG A 17 13.215 -6.415 3.500 1.00 0.00 N ATOM 262 CA ARG A 17 12.412 -7.544 3.941 1.00 0.00 C ATOM 263 C ARG A 17 10.981 -7.472 3.410 1.00 0.00 C ATOM 264 O ARG A 17 10.134 -6.775 3.970 1.00 0.00 O ATOM 265 CB ARG A 17 12.395 -7.607 5.471 1.00 0.00 C ATOM 266 CG ARG A 17 11.991 -8.965 6.016 1.00 0.00 C ATOM 267 CD ARG A 17 12.991 -10.031 5.604 1.00 0.00 C ATOM 268 NE ARG A 17 12.642 -11.351 6.121 1.00 0.00 N ATOM 269 CZ ARG A 17 13.424 -12.422 6.004 1.00 0.00 C ATOM 270 NH1 ARG A 17 14.601 -12.321 5.398 1.00 0.00 N ATOM 271 NH2 ARG A 17 13.032 -13.596 6.493 1.00 0.00 N ATOM 0 H ARG A 17 12.728 -5.519 3.490 1.00 0.00 H new ATOM 0 HA ARG A 17 12.869 -8.448 3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.385 -7.353 5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.706 -6.852 5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.927 -8.921 7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.999 -9.229 5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.046 -10.073 4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.982 -9.754 5.963 1.00 0.00 H new ATOM 0 HE ARG A 17 11.748 -11.459 6.599 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.906 -11.423 5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.200 -13.141 5.308 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.129 -13.678 6.960 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.635 -14.414 6.401 1.00 0.00 H new ATOM 285 N GLY A 18 10.727 -8.179 2.316 1.00 0.00 N ATOM 286 CA GLY A 18 9.365 -8.368 1.854 1.00 0.00 C ATOM 287 C GLY A 18 8.920 -7.369 0.802 1.00 0.00 C ATOM 288 O GLY A 18 8.638 -7.753 -0.334 1.00 0.00 O ATOM 0 H GLY A 18 11.441 -8.625 1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.268 -9.375 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.691 -8.303 2.708 1.00 0.00 H new ATOM 292 N TRP A 19 8.866 -6.096 1.175 1.00 0.00 N ATOM 293 CA TRP A 19 8.289 -5.062 0.320 1.00 0.00 C ATOM 294 C TRP A 19 9.030 -4.941 -1.009 1.00 0.00 C ATOM 295 O TRP A 19 10.247 -4.754 -1.049 1.00 0.00 O ATOM 296 CB TRP A 19 8.277 -3.714 1.043 1.00 0.00 C ATOM 297 CG TRP A 19 7.344 -3.676 2.221 1.00 0.00 C ATOM 298 CD1 TRP A 19 7.425 -4.423 3.362 1.00 0.00 C ATOM 299 CD2 TRP A 19 6.191 -2.833 2.380 1.00 0.00 C ATOM 300 NE1 TRP A 19 6.393 -4.108 4.210 1.00 0.00 N ATOM 301 CE2 TRP A 19 5.623 -3.133 3.633 1.00 0.00 C ATOM 302 CE3 TRP A 19 5.583 -1.861 1.585 1.00 0.00 C ATOM 303 CZ2 TRP A 19 4.481 -2.492 4.107 1.00 0.00 C ATOM 304 CZ3 TRP A 19 4.450 -1.223 2.056 1.00 0.00 C ATOM 305 CH2 TRP A 19 3.909 -1.542 3.306 1.00 0.00 C ATOM 0 H TRP A 19 9.217 -5.752 2.069 1.00 0.00 H new ATOM 0 HA TRP A 19 7.264 -5.359 0.100 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.287 -3.483 1.381 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.991 -2.934 0.337 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.191 -5.156 3.567 1.00 0.00 H new ATOM 0 HE1 TRP A 19 6.226 -4.532 5.123 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.991 -1.611 0.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.062 -2.736 5.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.975 -0.466 1.449 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.022 -1.028 3.645 1.00 0.00 H new ATOM 316 N GLN A 20 8.276 -5.058 -2.092 1.00 0.00 N ATOM 317 CA GLN A 20 8.823 -5.015 -3.433 1.00 0.00 C ATOM 318 C GLN A 20 8.585 -3.657 -4.082 1.00 0.00 C ATOM 319 O GLN A 20 7.448 -3.179 -4.130 1.00 0.00 O ATOM 320 CB GLN A 20 8.163 -6.100 -4.278 1.00 0.00 C ATOM 321 CG GLN A 20 8.436 -7.512 -3.787 1.00 0.00 C ATOM 322 CD GLN A 20 7.710 -8.567 -4.602 1.00 0.00 C ATOM 323 OE1 GLN A 20 7.445 -8.381 -5.790 1.00 0.00 O ATOM 324 NE2 GLN A 20 7.386 -9.689 -3.973 1.00 0.00 N ATOM 0 H GLN A 20 7.264 -5.186 -2.062 1.00 0.00 H new ATOM 0 HA GLN A 20 9.898 -5.182 -3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.086 -5.932 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.513 -6.009 -5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.508 -7.704 -3.825 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.134 -7.594 -2.743 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.622 -9.808 -2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.901 -10.433 -4.475 1.00 0.00 H new ATOM 333 N PRO A 21 9.653 -3.011 -4.571 1.00 0.00 N ATOM 334 CA PRO A 21 9.540 -1.787 -5.361 1.00 0.00 C ATOM 335 C PRO A 21 8.957 -2.070 -6.744 1.00 0.00 C ATOM 336 O PRO A 21 9.526 -2.841 -7.520 1.00 0.00 O ATOM 337 CB PRO A 21 10.982 -1.282 -5.484 1.00 0.00 C ATOM 338 CG PRO A 21 11.788 -2.112 -4.541 1.00 0.00 C ATOM 339 CD PRO A 21 11.050 -3.408 -4.379 1.00 0.00 C ATOM 0 HA PRO A 21 8.874 -1.061 -4.895 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.347 -1.387 -6.506 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.049 -0.224 -5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.790 -2.283 -4.934 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.903 -1.608 -3.581 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.365 -4.148 -5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.214 -3.847 -3.395 1.00 0.00 H new ATOM 347 N VAL A 22 7.819 -1.461 -7.042 1.00 0.00 N ATOM 348 CA VAL A 22 7.145 -1.691 -8.317 1.00 0.00 C ATOM 349 C VAL A 22 7.304 -0.512 -9.267 1.00 0.00 C ATOM 350 O VAL A 22 7.691 0.586 -8.868 1.00 0.00 O ATOM 351 CB VAL A 22 5.643 -2.003 -8.130 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.457 -3.397 -7.548 1.00 0.00 C ATOM 353 CG2 VAL A 22 4.981 -0.957 -7.241 1.00 0.00 C ATOM 0 H VAL A 22 7.342 -0.806 -6.423 1.00 0.00 H new ATOM 0 HA VAL A 22 7.629 -2.562 -8.758 1.00 0.00 H new ATOM 0 HB VAL A 22 5.162 -1.971 -9.108 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.393 -3.600 -7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.890 -4.134 -8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.954 -3.456 -6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.924 -1.196 -7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.463 -0.952 -6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.081 0.027 -7.700 1.00 0.00 H new ATOM 363 N GLU A 23 6.972 -0.752 -10.527 1.00 0.00 N ATOM 364 CA GLU A 23 7.172 0.230 -11.581 1.00 0.00 C ATOM 365 C GLU A 23 5.980 0.213 -12.524 1.00 0.00 C ATOM 366 O GLU A 23 5.233 -0.760 -12.558 1.00 0.00 O ATOM 367 CB GLU A 23 8.447 -0.072 -12.375 1.00 0.00 C ATOM 368 CG GLU A 23 9.712 -0.126 -11.535 1.00 0.00 C ATOM 369 CD GLU A 23 10.936 -0.479 -12.351 1.00 0.00 C ATOM 370 OE1 GLU A 23 11.172 -1.681 -12.585 1.00 0.00 O ATOM 371 OE2 GLU A 23 11.672 0.442 -12.763 1.00 0.00 O ATOM 0 H GLU A 23 6.559 -1.628 -10.846 1.00 0.00 H new ATOM 0 HA GLU A 23 7.272 1.213 -11.120 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.324 -1.027 -12.887 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.569 0.689 -13.146 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.866 0.840 -11.054 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.585 -0.861 -10.740 1.00 0.00 H new ATOM 378 N ALA A 24 5.825 1.271 -13.309 1.00 0.00 N ATOM 379 CA ALA A 24 4.694 1.388 -14.227 1.00 0.00 C ATOM 380 C ALA A 24 4.811 0.402 -15.380 1.00 0.00 C ATOM 381 O ALA A 24 3.832 0.110 -16.068 1.00 0.00 O ATOM 382 CB ALA A 24 4.599 2.802 -14.766 1.00 0.00 C ATOM 0 H ALA A 24 6.468 2.063 -13.330 1.00 0.00 H new ATOM 0 HA ALA A 24 3.788 1.153 -13.669 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.752 2.875 -15.449 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.460 3.498 -13.939 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.517 3.051 -15.299 1.00 0.00 H new ATOM 388 N SER A 25 6.012 -0.100 -15.590 1.00 0.00 N ATOM 389 CA SER A 25 6.266 -1.040 -16.656 1.00 0.00 C ATOM 390 C SER A 25 5.928 -2.467 -16.229 1.00 0.00 C ATOM 391 O SER A 25 5.037 -3.100 -16.798 1.00 0.00 O ATOM 392 CB SER A 25 7.730 -0.933 -17.069 1.00 0.00 C ATOM 393 OG SER A 25 8.559 -0.740 -15.931 1.00 0.00 O ATOM 0 H SER A 25 6.832 0.132 -15.029 1.00 0.00 H new ATOM 0 HA SER A 25 5.626 -0.798 -17.505 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.032 -1.838 -17.596 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.858 -0.103 -17.763 1.00 0.00 H new ATOM 0 HG SER A 25 9.495 -0.675 -16.215 1.00 0.00 H new ATOM 399 N THR A 26 6.623 -2.950 -15.207 1.00 0.00 N ATOM 400 CA THR A 26 6.481 -4.332 -14.756 1.00 0.00 C ATOM 401 C THR A 26 5.134 -4.575 -14.065 1.00 0.00 C ATOM 402 O THR A 26 4.682 -5.716 -13.963 1.00 0.00 O ATOM 403 CB THR A 26 7.643 -4.724 -13.809 1.00 0.00 C ATOM 404 OG1 THR A 26 7.610 -6.127 -13.522 1.00 0.00 O ATOM 405 CG2 THR A 26 7.584 -3.934 -12.507 1.00 0.00 C ATOM 0 H THR A 26 7.296 -2.402 -14.670 1.00 0.00 H new ATOM 0 HA THR A 26 6.518 -4.963 -15.644 1.00 0.00 H new ATOM 0 HB THR A 26 8.576 -4.485 -14.319 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.352 -6.356 -12.924 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.412 -4.231 -11.863 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.658 -2.868 -12.724 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.640 -4.137 -12.001 1.00 0.00 H new ATOM 413 N VAL A 27 4.474 -3.504 -13.621 1.00 0.00 N ATOM 414 CA VAL A 27 3.207 -3.634 -12.903 1.00 0.00 C ATOM 415 C VAL A 27 2.135 -4.270 -13.794 1.00 0.00 C ATOM 416 O VAL A 27 1.217 -4.923 -13.303 1.00 0.00 O ATOM 417 CB VAL A 27 2.698 -2.270 -12.369 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.234 -1.367 -13.499 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.590 -2.467 -11.346 1.00 0.00 C ATOM 0 H VAL A 27 4.794 -2.543 -13.745 1.00 0.00 H new ATOM 0 HA VAL A 27 3.396 -4.283 -12.048 1.00 0.00 H new ATOM 0 HB VAL A 27 3.536 -1.778 -11.876 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.884 -0.420 -13.088 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.064 -1.182 -14.181 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.421 -1.850 -14.040 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.250 -1.496 -10.986 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.756 -2.995 -11.810 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.969 -3.052 -10.508 1.00 0.00 H new ATOM 429 N ASP A 28 2.278 -4.093 -15.104 1.00 0.00 N ATOM 430 CA ASP A 28 1.323 -4.639 -16.065 1.00 0.00 C ATOM 431 C ASP A 28 1.299 -6.160 -15.971 1.00 0.00 C ATOM 432 O ASP A 28 0.236 -6.777 -15.856 1.00 0.00 O ATOM 433 CB ASP A 28 1.710 -4.206 -17.486 1.00 0.00 C ATOM 434 CG ASP A 28 0.655 -4.536 -18.526 1.00 0.00 C ATOM 435 OD1 ASP A 28 0.407 -5.731 -18.778 1.00 0.00 O ATOM 436 OD2 ASP A 28 0.080 -3.592 -19.109 1.00 0.00 O ATOM 0 H ASP A 28 3.048 -3.574 -15.526 1.00 0.00 H new ATOM 0 HA ASP A 28 0.329 -4.257 -15.835 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.893 -3.131 -17.493 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.646 -4.690 -17.763 1.00 0.00 H new ATOM 441 N ASP A 29 2.486 -6.752 -16.002 1.00 0.00 N ATOM 442 CA ASP A 29 2.623 -8.198 -15.919 1.00 0.00 C ATOM 443 C ASP A 29 2.397 -8.666 -14.488 1.00 0.00 C ATOM 444 O ASP A 29 1.795 -9.710 -14.259 1.00 0.00 O ATOM 445 CB ASP A 29 4.009 -8.631 -16.411 1.00 0.00 C ATOM 446 CG ASP A 29 4.157 -10.140 -16.516 1.00 0.00 C ATOM 447 OD1 ASP A 29 3.583 -10.735 -17.457 1.00 0.00 O ATOM 448 OD2 ASP A 29 4.872 -10.738 -15.686 1.00 0.00 O ATOM 0 H ASP A 29 3.370 -6.250 -16.084 1.00 0.00 H new ATOM 0 HA ASP A 29 1.870 -8.658 -16.559 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.198 -8.184 -17.387 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.767 -8.243 -15.731 1.00 0.00 H new ATOM 453 N TRP A 30 2.860 -7.864 -13.534 1.00 0.00 N ATOM 454 CA TRP A 30 2.735 -8.177 -12.111 1.00 0.00 C ATOM 455 C TRP A 30 1.266 -8.333 -11.707 1.00 0.00 C ATOM 456 O TRP A 30 0.883 -9.340 -11.108 1.00 0.00 O ATOM 457 CB TRP A 30 3.402 -7.074 -11.281 1.00 0.00 C ATOM 458 CG TRP A 30 3.560 -7.409 -9.825 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.555 -8.156 -9.261 1.00 0.00 C ATOM 460 CD2 TRP A 30 2.708 -7.000 -8.747 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.371 -8.235 -7.901 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.245 -7.537 -7.561 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.544 -6.233 -8.667 1.00 0.00 C ATOM 464 CZ2 TRP A 30 2.660 -7.332 -6.316 1.00 0.00 C ATOM 465 CZ3 TRP A 30 0.963 -6.032 -7.429 1.00 0.00 C ATOM 466 CH2 TRP A 30 1.521 -6.578 -6.269 1.00 0.00 C ATOM 0 H TRP A 30 3.332 -6.980 -13.723 1.00 0.00 H new ATOM 0 HA TRP A 30 3.236 -9.126 -11.919 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.385 -6.862 -11.702 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.813 -6.161 -11.370 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.367 -8.617 -9.804 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.977 -8.734 -7.250 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.106 -5.805 -9.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.090 -7.753 -5.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.061 -5.442 -7.356 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.043 -6.400 -5.317 1.00 0.00 H new ATOM 477 N ILE A 31 0.447 -7.343 -12.054 1.00 0.00 N ATOM 478 CA ILE A 31 -0.976 -7.371 -11.720 1.00 0.00 C ATOM 479 C ILE A 31 -1.657 -8.577 -12.354 1.00 0.00 C ATOM 480 O ILE A 31 -2.397 -9.304 -11.695 1.00 0.00 O ATOM 481 CB ILE A 31 -1.690 -6.072 -12.172 1.00 0.00 C ATOM 482 CG1 ILE A 31 -1.218 -4.888 -11.328 1.00 0.00 C ATOM 483 CG2 ILE A 31 -3.204 -6.219 -12.081 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.494 -5.046 -9.848 1.00 0.00 C ATOM 0 H ILE A 31 0.743 -6.512 -12.566 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.052 -7.447 -10.635 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.431 -5.887 -13.215 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.147 -4.752 -11.476 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.707 -3.981 -11.685 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.680 -5.293 -12.404 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.529 -7.037 -12.723 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.488 -6.432 -11.050 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.131 -4.167 -9.314 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.567 -5.151 -9.687 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.983 -5.934 -9.475 1.00 0.00 H new ATOM 496 N LYS A 32 -1.371 -8.795 -13.627 1.00 0.00 N ATOM 497 CA LYS A 32 -1.954 -9.899 -14.381 1.00 0.00 C ATOM 498 C LYS A 32 -1.427 -11.249 -13.868 1.00 0.00 C ATOM 499 O LYS A 32 -2.059 -12.292 -14.046 1.00 0.00 O ATOM 500 CB LYS A 32 -1.647 -9.675 -15.876 1.00 0.00 C ATOM 501 CG LYS A 32 -2.038 -10.808 -16.821 1.00 0.00 C ATOM 502 CD LYS A 32 -0.954 -11.876 -16.926 1.00 0.00 C ATOM 503 CE LYS A 32 0.399 -11.281 -17.287 1.00 0.00 C ATOM 504 NZ LYS A 32 1.442 -12.325 -17.440 1.00 0.00 N ATOM 0 H LYS A 32 -0.730 -8.215 -14.168 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.035 -9.927 -14.245 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.158 -8.768 -16.199 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.578 -9.493 -15.983 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.963 -11.266 -16.472 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.239 -10.399 -17.811 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.875 -12.407 -15.977 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.240 -12.610 -17.679 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.311 -10.717 -18.216 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.703 -10.575 -16.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.366 -11.935 -17.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.213 -13.136 -16.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.479 -12.636 -18.432 1.00 0.00 H new ATOM 518 N ARG A 33 -0.278 -11.215 -13.208 1.00 0.00 N ATOM 519 CA ARG A 33 0.371 -12.426 -12.720 1.00 0.00 C ATOM 520 C ARG A 33 -0.305 -12.944 -11.452 1.00 0.00 C ATOM 521 O ARG A 33 -0.414 -14.153 -11.243 1.00 0.00 O ATOM 522 CB ARG A 33 1.847 -12.143 -12.437 1.00 0.00 C ATOM 523 CG ARG A 33 2.800 -13.185 -12.994 1.00 0.00 C ATOM 524 CD ARG A 33 2.605 -14.539 -12.338 1.00 0.00 C ATOM 525 NE ARG A 33 3.533 -15.527 -12.868 1.00 0.00 N ATOM 526 CZ ARG A 33 4.045 -16.528 -12.163 1.00 0.00 C ATOM 527 NH1 ARG A 33 3.678 -16.717 -10.901 1.00 0.00 N ATOM 528 NH2 ARG A 33 4.913 -17.352 -12.734 1.00 0.00 N ATOM 0 H ARG A 33 0.228 -10.355 -12.996 1.00 0.00 H new ATOM 0 HA ARG A 33 0.283 -13.192 -13.491 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.105 -11.170 -12.856 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.992 -12.074 -11.359 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.648 -13.278 -14.069 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.828 -12.854 -12.844 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.746 -14.446 -11.261 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.581 -14.878 -12.497 1.00 0.00 H new ATOM 0 HE ARG A 33 3.808 -15.445 -13.847 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.999 -16.091 -10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.075 -17.488 -10.364 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.182 -17.214 -13.708 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.311 -18.124 -12.199 1.00 0.00 H new ATOM 542 N VAL A 34 -0.743 -12.027 -10.601 1.00 0.00 N ATOM 543 CA VAL A 34 -1.360 -12.404 -9.337 1.00 0.00 C ATOM 544 C VAL A 34 -2.875 -12.209 -9.362 1.00 0.00 C ATOM 545 O VAL A 34 -3.628 -13.098 -8.962 1.00 0.00 O ATOM 546 CB VAL A 34 -0.747 -11.630 -8.150 1.00 0.00 C ATOM 547 CG1 VAL A 34 0.640 -12.167 -7.827 1.00 0.00 C ATOM 548 CG2 VAL A 34 -0.682 -10.136 -8.438 1.00 0.00 C ATOM 0 H VAL A 34 -0.683 -11.021 -10.761 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.156 -13.466 -9.199 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.393 -11.777 -7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.059 -11.611 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.569 -13.222 -7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.286 -12.052 -8.697 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.246 -9.619 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.066 -9.962 -9.320 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.688 -9.756 -8.617 1.00 0.00 H new ATOM 558 N GLY A 35 -3.319 -11.056 -9.843 1.00 0.00 N ATOM 559 CA GLY A 35 -4.738 -10.767 -9.903 1.00 0.00 C ATOM 560 C GLY A 35 -5.178 -9.800 -8.820 1.00 0.00 C ATOM 561 O GLY A 35 -6.054 -8.962 -9.039 1.00 0.00 O ATOM 0 H GLY A 35 -2.717 -10.311 -10.195 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.980 -10.348 -10.880 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.300 -11.696 -9.807 1.00 0.00 H new ATOM 565 N ASP A 36 -4.571 -9.925 -7.652 1.00 0.00 N ATOM 566 CA ASP A 36 -4.888 -9.077 -6.515 1.00 0.00 C ATOM 567 C ASP A 36 -3.623 -8.423 -5.975 1.00 0.00 C ATOM 568 O ASP A 36 -2.516 -8.918 -6.199 1.00 0.00 O ATOM 569 CB ASP A 36 -5.548 -9.911 -5.414 1.00 0.00 C ATOM 570 CG ASP A 36 -4.609 -10.949 -4.828 1.00 0.00 C ATOM 571 OD1 ASP A 36 -4.203 -11.877 -5.563 1.00 0.00 O ATOM 572 OD2 ASP A 36 -4.263 -10.842 -3.638 1.00 0.00 O ATOM 0 H ASP A 36 -3.845 -10.617 -7.465 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.577 -8.297 -6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.894 -9.249 -4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.428 -10.410 -5.819 1.00 0.00 H new ATOM 577 N GLY A 37 -3.785 -7.303 -5.284 1.00 0.00 N ATOM 578 CA GLY A 37 -2.652 -6.649 -4.661 1.00 0.00 C ATOM 579 C GLY A 37 -2.812 -5.146 -4.577 1.00 0.00 C ATOM 580 O GLY A 37 -3.837 -4.596 -4.983 1.00 0.00 O ATOM 0 H GLY A 37 -4.681 -6.836 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.514 -7.051 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.749 -6.882 -5.225 1.00 0.00 H new ATOM 584 N VAL A 38 -1.798 -4.479 -4.043 1.00 0.00 N ATOM 585 CA VAL A 38 -1.827 -3.033 -3.889 1.00 0.00 C ATOM 586 C VAL A 38 -0.483 -2.407 -4.257 1.00 0.00 C ATOM 587 O VAL A 38 0.575 -2.902 -3.864 1.00 0.00 O ATOM 588 CB VAL A 38 -2.205 -2.611 -2.448 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.679 -2.880 -2.170 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.322 -3.320 -1.429 1.00 0.00 C ATOM 0 H VAL A 38 -0.941 -4.920 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.594 -2.668 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.037 -1.538 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.919 -2.575 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.291 -2.314 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.883 -3.944 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.605 -3.009 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.450 -4.398 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.279 -3.061 -1.609 1.00 0.00 H new ATOM 600 N ILE A 39 -0.536 -1.336 -5.039 1.00 0.00 N ATOM 601 CA ILE A 39 0.656 -0.565 -5.382 1.00 0.00 C ATOM 602 C ILE A 39 0.640 0.757 -4.618 1.00 0.00 C ATOM 603 O ILE A 39 -0.268 1.571 -4.790 1.00 0.00 O ATOM 604 CB ILE A 39 0.769 -0.270 -6.910 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.226 -1.505 -7.703 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.725 0.888 -7.173 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.212 -2.627 -7.748 1.00 0.00 C ATOM 0 H ILE A 39 -1.398 -0.978 -5.451 1.00 0.00 H new ATOM 0 HA ILE A 39 1.520 -1.168 -5.102 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.230 0.003 -7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.459 -1.201 -8.723 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.149 -1.883 -7.264 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.786 1.073 -8.245 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.359 1.783 -6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.715 0.637 -6.792 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.615 -3.458 -8.327 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.005 -2.962 -6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.705 -2.270 -8.216 1.00 0.00 H new ATOM 619 N LEU A 40 1.622 0.950 -3.757 1.00 0.00 N ATOM 620 CA LEU A 40 1.747 2.189 -3.004 1.00 0.00 C ATOM 621 C LEU A 40 2.675 3.147 -3.754 1.00 0.00 C ATOM 622 O LEU A 40 3.809 2.794 -4.077 1.00 0.00 O ATOM 623 CB LEU A 40 2.299 1.882 -1.604 1.00 0.00 C ATOM 624 CG LEU A 40 1.834 2.806 -0.468 1.00 0.00 C ATOM 625 CD1 LEU A 40 2.356 2.300 0.868 1.00 0.00 C ATOM 626 CD2 LEU A 40 2.289 4.239 -0.695 1.00 0.00 C ATOM 0 H LEU A 40 2.349 0.262 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 40 0.770 2.661 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.025 0.859 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.387 1.919 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 40 0.744 2.796 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.020 2.963 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.977 1.294 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.446 2.279 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.943 4.865 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.377 4.272 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.873 4.609 -1.632 1.00 0.00 H new ATOM 638 N LEU A 41 2.183 4.343 -4.052 1.00 0.00 N ATOM 639 CA LEU A 41 2.977 5.345 -4.756 1.00 0.00 C ATOM 640 C LEU A 41 3.716 6.230 -3.765 1.00 0.00 C ATOM 641 O LEU A 41 3.094 6.849 -2.899 1.00 0.00 O ATOM 642 CB LEU A 41 2.098 6.215 -5.662 1.00 0.00 C ATOM 643 CG LEU A 41 1.634 5.567 -6.975 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.666 4.429 -6.708 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.988 6.606 -7.879 1.00 0.00 C ATOM 0 H LEU A 41 1.237 4.644 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 41 3.699 4.815 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.216 6.517 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.648 7.124 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 41 2.510 5.158 -7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.353 3.988 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.156 3.670 -6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.207 4.811 -6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.664 6.131 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.126 7.042 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.710 7.390 -8.106 1.00 0.00 H new ATOM 657 N SER A 42 5.039 6.282 -3.910 1.00 0.00 N ATOM 658 CA SER A 42 5.901 7.075 -3.038 1.00 0.00 C ATOM 659 C SER A 42 5.886 6.517 -1.611 1.00 0.00 C ATOM 660 O SER A 42 5.244 5.505 -1.335 1.00 0.00 O ATOM 661 CB SER A 42 5.470 8.553 -3.055 1.00 0.00 C ATOM 662 OG SER A 42 6.409 9.382 -2.381 1.00 0.00 O ATOM 0 H SER A 42 5.543 5.774 -4.637 1.00 0.00 H new ATOM 0 HA SER A 42 6.923 7.014 -3.413 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.362 8.889 -4.086 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.492 8.653 -2.584 1.00 0.00 H new ATOM 0 HG SER A 42 6.105 10.313 -2.413 1.00 0.00 H new ATOM 863 N VAL A 56 1.809 4.225 7.859 1.00 0.00 N ATOM 864 CA VAL A 56 2.205 2.929 8.403 1.00 0.00 C ATOM 865 C VAL A 56 1.009 1.972 8.391 1.00 0.00 C ATOM 866 O VAL A 56 1.127 0.788 8.705 1.00 0.00 O ATOM 867 CB VAL A 56 2.751 3.074 9.848 1.00 0.00 C ATOM 868 CG1 VAL A 56 3.385 1.775 10.330 1.00 0.00 C ATOM 869 CG2 VAL A 56 3.752 4.215 9.938 1.00 0.00 C ATOM 0 HA VAL A 56 3.000 2.524 7.777 1.00 0.00 H new ATOM 0 HB VAL A 56 1.906 3.303 10.498 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.759 1.907 11.345 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.639 0.980 10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.211 1.507 9.672 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.120 4.296 10.961 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.588 4.020 9.266 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.267 5.148 9.652 1.00 0.00 H new ATOM 879 N MET A 57 -0.138 2.499 7.976 1.00 0.00 N ATOM 880 CA MET A 57 -1.406 1.769 8.028 1.00 0.00 C ATOM 881 C MET A 57 -1.346 0.468 7.232 1.00 0.00 C ATOM 882 O MET A 57 -1.902 -0.546 7.645 1.00 0.00 O ATOM 883 CB MET A 57 -2.556 2.623 7.474 1.00 0.00 C ATOM 884 CG MET A 57 -2.634 4.039 8.025 1.00 0.00 C ATOM 885 SD MET A 57 -1.323 5.106 7.382 1.00 0.00 S ATOM 886 CE MET A 57 -1.850 6.703 7.987 1.00 0.00 C ATOM 0 H MET A 57 -0.218 3.442 7.595 1.00 0.00 H new ATOM 0 HA MET A 57 -1.585 1.538 9.078 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.458 2.677 6.390 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.498 2.116 7.684 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.604 4.470 7.775 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.570 4.006 9.113 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.139 7.465 7.669 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.836 6.937 7.585 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.897 6.682 9.076 1.00 0.00 H new ATOM 896 N ILE A 58 -0.650 0.507 6.102 1.00 0.00 N ATOM 897 CA ILE A 58 -0.643 -0.601 5.149 1.00 0.00 C ATOM 898 C ILE A 58 -0.024 -1.863 5.762 1.00 0.00 C ATOM 899 O ILE A 58 -0.436 -2.981 5.447 1.00 0.00 O ATOM 900 CB ILE A 58 0.112 -0.229 3.840 1.00 0.00 C ATOM 901 CG1 ILE A 58 -0.557 0.955 3.121 1.00 0.00 C ATOM 902 CG2 ILE A 58 0.182 -1.425 2.901 1.00 0.00 C ATOM 903 CD1 ILE A 58 -0.214 2.320 3.689 1.00 0.00 C ATOM 0 H ILE A 58 -0.077 1.302 5.820 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.684 -0.806 4.901 1.00 0.00 H new ATOM 0 HB ILE A 58 1.123 0.066 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.271 0.932 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.638 0.822 3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.714 -1.143 1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.710 -2.243 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.828 -1.747 2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.731 3.092 3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.526 2.369 4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.862 2.481 3.625 1.00 0.00 H new ATOM 915 N ALA A 59 0.939 -1.677 6.660 1.00 0.00 N ATOM 916 CA ALA A 59 1.633 -2.803 7.278 1.00 0.00 C ATOM 917 C ALA A 59 0.669 -3.672 8.085 1.00 0.00 C ATOM 918 O ALA A 59 0.597 -4.885 7.887 1.00 0.00 O ATOM 919 CB ALA A 59 2.764 -2.302 8.161 1.00 0.00 C ATOM 0 H ALA A 59 1.256 -0.760 6.975 1.00 0.00 H new ATOM 0 HA ALA A 59 2.052 -3.420 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.274 -3.151 8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.472 -1.734 7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.358 -1.661 8.943 1.00 0.00 H new ATOM 925 N GLU A 60 -0.080 -3.042 8.982 1.00 0.00 N ATOM 926 CA GLU A 60 -1.030 -3.759 9.826 1.00 0.00 C ATOM 927 C GLU A 60 -2.270 -4.142 9.014 1.00 0.00 C ATOM 928 O GLU A 60 -2.915 -5.160 9.281 1.00 0.00 O ATOM 929 CB GLU A 60 -1.423 -2.898 11.030 1.00 0.00 C ATOM 930 CG GLU A 60 -1.971 -3.696 12.204 1.00 0.00 C ATOM 931 CD GLU A 60 -0.915 -4.553 12.882 1.00 0.00 C ATOM 932 OE1 GLU A 60 0.020 -3.987 13.486 1.00 0.00 O ATOM 933 OE2 GLU A 60 -1.025 -5.798 12.837 1.00 0.00 O ATOM 0 H GLU A 60 -0.048 -2.035 9.144 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.558 -4.671 10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.551 -2.334 11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.172 -2.171 10.716 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.399 -3.010 12.935 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.782 -4.336 11.855 1.00 0.00 H new ATOM 940 N LEU A 61 -2.582 -3.319 8.007 1.00 0.00 N ATOM 941 CA LEU A 61 -3.750 -3.521 7.145 1.00 0.00 C ATOM 942 C LEU A 61 -3.773 -4.924 6.564 1.00 0.00 C ATOM 943 O LEU A 61 -4.816 -5.574 6.522 1.00 0.00 O ATOM 944 CB LEU A 61 -3.718 -2.522 5.991 1.00 0.00 C ATOM 945 CG LEU A 61 -4.997 -2.440 5.156 1.00 0.00 C ATOM 946 CD1 LEU A 61 -6.167 -1.971 6.007 1.00 0.00 C ATOM 947 CD2 LEU A 61 -4.793 -1.514 3.968 1.00 0.00 C ATOM 0 H LEU A 61 -2.032 -2.494 7.767 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.641 -3.375 7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.505 -1.533 6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.890 -2.782 5.331 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.229 -3.437 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.066 -1.920 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.326 -2.673 6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.949 -0.983 6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.711 -1.465 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.536 -0.516 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.985 -1.895 3.344 1.00 0.00 H new ATOM 959 N LEU A 62 -2.611 -5.362 6.106 1.00 0.00 N ATOM 960 CA LEU A 62 -2.443 -6.695 5.525 1.00 0.00 C ATOM 961 C LEU A 62 -3.025 -7.783 6.429 1.00 0.00 C ATOM 962 O LEU A 62 -3.653 -8.728 5.953 1.00 0.00 O ATOM 963 CB LEU A 62 -0.957 -6.973 5.272 1.00 0.00 C ATOM 964 CG LEU A 62 -0.635 -8.351 4.689 1.00 0.00 C ATOM 965 CD1 LEU A 62 -1.295 -8.530 3.330 1.00 0.00 C ATOM 966 CD2 LEU A 62 0.870 -8.539 4.581 1.00 0.00 C ATOM 0 H LEU A 62 -1.755 -4.808 6.124 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.987 -6.716 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.573 -6.212 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.419 -6.861 6.213 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.033 -9.111 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.052 -9.516 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.376 -8.437 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.930 -7.765 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.085 -9.523 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.287 -7.771 3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.319 -8.458 5.571 1.00 0.00 H new ATOM 978 N ARG A 63 -2.824 -7.636 7.731 1.00 0.00 N ATOM 979 CA ARG A 63 -3.282 -8.632 8.690 1.00 0.00 C ATOM 980 C ARG A 63 -4.725 -8.376 9.116 1.00 0.00 C ATOM 981 O ARG A 63 -5.451 -9.309 9.470 1.00 0.00 O ATOM 982 CB ARG A 63 -2.373 -8.642 9.919 1.00 0.00 C ATOM 983 CG ARG A 63 -0.952 -9.094 9.624 1.00 0.00 C ATOM 984 CD ARG A 63 -0.109 -9.102 10.884 1.00 0.00 C ATOM 985 NE ARG A 63 1.244 -9.596 10.644 1.00 0.00 N ATOM 986 CZ ARG A 63 2.113 -9.876 11.610 1.00 0.00 C ATOM 987 NH1 ARG A 63 1.785 -9.690 12.886 1.00 0.00 N ATOM 988 NH2 ARG A 63 3.315 -10.337 11.295 1.00 0.00 N ATOM 0 H ARG A 63 -2.347 -6.837 8.148 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.240 -9.605 8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.345 -7.640 10.347 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.805 -9.299 10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.968 -10.093 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.502 -8.430 8.886 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.058 -8.092 11.290 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.592 -9.724 11.637 1.00 0.00 H new ATOM 0 HE ARG A 63 1.540 -9.734 9.678 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.862 -9.330 13.128 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.457 -9.907 13.622 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.568 -10.475 10.317 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.987 -10.554 12.031 1.00 0.00 H new ATOM 1002 N GLU A 64 -5.138 -7.116 9.083 1.00 0.00 N ATOM 1003 CA GLU A 64 -6.484 -6.739 9.502 1.00 0.00 C ATOM 1004 C GLU A 64 -7.511 -7.091 8.427 1.00 0.00 C ATOM 1005 O GLU A 64 -8.620 -7.526 8.736 1.00 0.00 O ATOM 1006 CB GLU A 64 -6.545 -5.239 9.805 1.00 0.00 C ATOM 1007 CG GLU A 64 -7.872 -4.779 10.395 1.00 0.00 C ATOM 1008 CD GLU A 64 -8.101 -5.293 11.804 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -8.680 -6.391 11.961 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -7.706 -4.597 12.761 1.00 0.00 O ATOM 0 H GLU A 64 -4.560 -6.336 8.770 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.724 -7.299 10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.744 -4.986 10.499 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.357 -4.685 8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.903 -3.689 10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.686 -5.117 9.753 1.00 0.00 H new ATOM 1017 N PHE A 65 -7.128 -6.906 7.164 1.00 0.00 N ATOM 1018 CA PHE A 65 -8.033 -7.116 6.037 1.00 0.00 C ATOM 1019 C PHE A 65 -8.518 -8.565 5.987 1.00 0.00 C ATOM 1020 O PHE A 65 -7.750 -9.476 5.689 1.00 0.00 O ATOM 1021 CB PHE A 65 -7.341 -6.744 4.720 1.00 0.00 C ATOM 1022 CG PHE A 65 -8.211 -5.936 3.802 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -8.492 -4.610 4.090 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -8.745 -6.497 2.656 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -9.294 -3.860 3.254 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -9.549 -5.750 1.815 1.00 0.00 C ATOM 1027 CZ PHE A 65 -9.824 -4.431 2.114 1.00 0.00 C ATOM 0 H PHE A 65 -6.190 -6.609 6.896 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.900 -6.470 6.175 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.434 -6.180 4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.033 -7.656 4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.078 -4.158 4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.532 -7.528 2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.507 -2.828 3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.962 -6.199 0.924 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.452 -3.847 1.458 1.00 0.00 H new ATOM 1037 N PRO A 66 -9.806 -8.796 6.280 1.00 0.00 N ATOM 1038 CA PRO A 66 -10.370 -10.142 6.355 1.00 0.00 C ATOM 1039 C PRO A 66 -10.837 -10.661 5.000 1.00 0.00 C ATOM 1040 O PRO A 66 -11.346 -11.775 4.888 1.00 0.00 O ATOM 1041 CB PRO A 66 -11.558 -9.948 7.292 1.00 0.00 C ATOM 1042 CG PRO A 66 -12.030 -8.558 7.016 1.00 0.00 C ATOM 1043 CD PRO A 66 -10.820 -7.766 6.575 1.00 0.00 C ATOM 0 HA PRO A 66 -9.642 -10.879 6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.342 -10.680 7.096 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.264 -10.068 8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.797 -8.557 6.241 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.477 -8.117 7.907 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.039 -7.159 5.697 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.482 -7.086 7.357 1.00 0.00 H new ATOM 1051 N GLN A 67 -10.666 -9.844 3.971 1.00 0.00 N ATOM 1052 CA GLN A 67 -11.112 -10.205 2.634 1.00 0.00 C ATOM 1053 C GLN A 67 -10.128 -11.163 1.976 1.00 0.00 C ATOM 1054 O GLN A 67 -10.525 -12.197 1.444 1.00 0.00 O ATOM 1055 CB GLN A 67 -11.295 -8.951 1.777 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.406 -8.039 2.270 1.00 0.00 C ATOM 1057 CD GLN A 67 -13.759 -8.730 2.327 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -14.512 -8.734 1.357 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -14.073 -9.322 3.469 1.00 0.00 N ATOM 0 H GLN A 67 -10.222 -8.928 4.036 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.074 -10.711 2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.359 -8.393 1.758 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.509 -9.250 0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.151 -7.669 3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.474 -7.171 1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.421 -9.297 4.253 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.967 -9.803 3.565 1.00 0.00 H new ATOM 1068 N PHE A 68 -8.845 -10.821 2.030 1.00 0.00 N ATOM 1069 CA PHE A 68 -7.799 -11.645 1.428 1.00 0.00 C ATOM 1070 C PHE A 68 -6.411 -11.129 1.787 1.00 0.00 C ATOM 1071 O PHE A 68 -6.256 -9.988 2.224 1.00 0.00 O ATOM 1072 CB PHE A 68 -7.951 -11.709 -0.104 1.00 0.00 C ATOM 1073 CG PHE A 68 -8.344 -10.406 -0.756 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -7.692 -9.219 -0.450 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -9.370 -10.379 -1.688 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -8.061 -8.036 -1.059 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -9.742 -9.199 -2.297 1.00 0.00 C ATOM 1078 CZ PHE A 68 -9.088 -8.026 -1.984 1.00 0.00 C ATOM 0 H PHE A 68 -8.502 -9.976 2.486 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.912 -12.651 1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.008 -12.045 -0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.700 -12.462 -0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.888 -9.221 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.885 -11.294 -1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.547 -7.119 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -10.545 -9.194 -3.019 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.378 -7.101 -2.461 1.00 0.00 H new ATOM 1088 N ASP A 69 -5.412 -11.984 1.604 1.00 0.00 N ATOM 1089 CA ASP A 69 -4.020 -11.598 1.797 1.00 0.00 C ATOM 1090 C ASP A 69 -3.435 -11.130 0.476 1.00 0.00 C ATOM 1091 O ASP A 69 -2.820 -11.910 -0.251 1.00 0.00 O ATOM 1092 CB ASP A 69 -3.186 -12.767 2.340 1.00 0.00 C ATOM 1093 CG ASP A 69 -3.577 -13.184 3.742 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -4.524 -13.988 3.890 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -2.917 -12.737 4.705 1.00 0.00 O ATOM 0 H ASP A 69 -5.542 -12.955 1.320 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.990 -10.789 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.293 -13.621 1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.133 -12.487 2.333 1.00 0.00 H new ATOM 1100 N TRP A 70 -3.661 -9.869 0.154 1.00 0.00 N ATOM 1101 CA TRP A 70 -3.208 -9.309 -1.113 1.00 0.00 C ATOM 1102 C TRP A 70 -1.711 -9.017 -1.109 1.00 0.00 C ATOM 1103 O TRP A 70 -1.088 -8.884 -0.055 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.994 -8.040 -1.468 1.00 0.00 C ATOM 1105 CG TRP A 70 -4.184 -7.063 -0.332 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.536 -7.033 0.875 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -5.098 -5.965 -0.317 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.009 -5.993 1.639 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -4.964 -5.320 0.927 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -6.018 -5.466 -1.238 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.722 -4.207 1.273 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.770 -4.360 -0.895 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.618 -3.740 0.350 1.00 0.00 C ATOM 0 H TRP A 70 -4.157 -9.209 0.753 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.397 -10.064 -1.876 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.480 -7.530 -2.283 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.975 -8.332 -1.843 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.766 -7.726 1.181 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.699 -5.761 2.583 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -6.140 -5.936 -2.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.608 -3.729 2.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.488 -3.967 -1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.220 -2.875 0.587 1.00 0.00 H new ATOM 1124 N GLN A 71 -1.146 -8.923 -2.305 1.00 0.00 N ATOM 1125 CA GLN A 71 0.272 -8.639 -2.470 1.00 0.00 C ATOM 1126 C GLN A 71 0.541 -7.155 -2.257 1.00 0.00 C ATOM 1127 O GLN A 71 0.091 -6.315 -3.035 1.00 0.00 O ATOM 1128 CB GLN A 71 0.758 -9.063 -3.865 1.00 0.00 C ATOM 1129 CG GLN A 71 0.827 -10.568 -4.103 1.00 0.00 C ATOM 1130 CD GLN A 71 -0.496 -11.278 -3.899 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -0.768 -11.812 -2.826 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -1.340 -11.253 -4.917 1.00 0.00 N ATOM 0 H GLN A 71 -1.654 -9.041 -3.182 1.00 0.00 H new ATOM 0 HA GLN A 71 0.821 -9.213 -1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.096 -8.624 -4.611 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.749 -8.640 -4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.174 -10.751 -5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.568 -11.000 -3.431 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.073 -10.798 -5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.258 -11.688 -4.829 1.00 0.00 H new ATOM 1141 N VAL A 72 1.263 -6.836 -1.198 1.00 0.00 N ATOM 1142 CA VAL A 72 1.580 -5.450 -0.877 1.00 0.00 C ATOM 1143 C VAL A 72 2.894 -5.035 -1.530 1.00 0.00 C ATOM 1144 O VAL A 72 3.932 -5.660 -1.307 1.00 0.00 O ATOM 1145 CB VAL A 72 1.677 -5.238 0.650 1.00 0.00 C ATOM 1146 CG1 VAL A 72 2.010 -3.792 0.973 1.00 0.00 C ATOM 1147 CG2 VAL A 72 0.382 -5.660 1.336 1.00 0.00 C ATOM 0 H VAL A 72 1.643 -7.518 -0.542 1.00 0.00 H new ATOM 0 HA VAL A 72 0.772 -4.831 -1.266 1.00 0.00 H new ATOM 0 HB VAL A 72 2.484 -5.865 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.073 -3.666 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.966 -3.529 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.230 -3.142 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.472 -5.503 2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.445 -5.064 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.193 -6.715 1.138 1.00 0.00 H new ATOM 1157 N ALA A 73 2.840 -3.989 -2.344 1.00 0.00 N ATOM 1158 CA ALA A 73 4.026 -3.474 -3.008 1.00 0.00 C ATOM 1159 C ALA A 73 4.033 -1.949 -2.994 1.00 0.00 C ATOM 1160 O ALA A 73 2.984 -1.320 -2.855 1.00 0.00 O ATOM 1161 CB ALA A 73 4.097 -3.995 -4.433 1.00 0.00 C ATOM 0 H ALA A 73 1.983 -3.480 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 73 4.905 -3.822 -2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.990 -3.602 -4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.140 -5.084 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.212 -3.673 -4.983 1.00 0.00 H new ATOM 1167 N VAL A 74 5.211 -1.362 -3.142 1.00 0.00 N ATOM 1168 CA VAL A 74 5.363 0.090 -3.087 1.00 0.00 C ATOM 1169 C VAL A 74 6.452 0.540 -4.060 1.00 0.00 C ATOM 1170 O VAL A 74 7.419 -0.178 -4.290 1.00 0.00 O ATOM 1171 CB VAL A 74 5.695 0.560 -1.644 1.00 0.00 C ATOM 1172 CG1 VAL A 74 6.894 -0.193 -1.096 1.00 0.00 C ATOM 1173 CG2 VAL A 74 5.936 2.068 -1.588 1.00 0.00 C ATOM 0 H VAL A 74 6.081 -1.869 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 74 4.417 0.546 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 74 4.831 0.338 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.109 0.152 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.675 -1.261 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.760 -0.012 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.166 2.362 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.773 2.327 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.041 2.592 -1.924 1.00 0.00 H new ATOM 1183 N ALA A 75 6.268 1.708 -4.655 1.00 0.00 N ATOM 1184 CA ALA A 75 7.243 2.253 -5.582 1.00 0.00 C ATOM 1185 C ALA A 75 8.285 3.083 -4.842 1.00 0.00 C ATOM 1186 O ALA A 75 7.976 3.718 -3.837 1.00 0.00 O ATOM 1187 CB ALA A 75 6.548 3.096 -6.637 1.00 0.00 C ATOM 0 H ALA A 75 5.448 2.298 -4.511 1.00 0.00 H new ATOM 0 HA ALA A 75 7.753 1.424 -6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.289 3.500 -7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.839 2.478 -7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.016 3.916 -6.155 1.00 0.00 H new ATOM 1193 N ASP A 76 9.515 3.067 -5.355 1.00 0.00 N ATOM 1194 CA ASP A 76 10.630 3.810 -4.760 1.00 0.00 C ATOM 1195 C ASP A 76 10.281 5.285 -4.582 1.00 0.00 C ATOM 1196 O ASP A 76 10.023 5.744 -3.470 1.00 0.00 O ATOM 1197 CB ASP A 76 11.869 3.673 -5.652 1.00 0.00 C ATOM 1198 CG ASP A 76 13.089 4.378 -5.090 1.00 0.00 C ATOM 1199 OD1 ASP A 76 13.845 3.739 -4.329 1.00 0.00 O ATOM 1200 OD2 ASP A 76 13.313 5.558 -5.433 1.00 0.00 O ATOM 0 H ASP A 76 9.768 2.541 -6.192 1.00 0.00 H new ATOM 0 HA ASP A 76 10.835 3.391 -3.775 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.098 2.616 -5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.645 4.078 -6.639 1.00 0.00 H new ATOM 1205 N LEU A 77 10.273 6.016 -5.686 1.00 0.00 N ATOM 1206 CA LEU A 77 9.895 7.423 -5.679 1.00 0.00 C ATOM 1207 C LEU A 77 9.714 7.910 -7.108 1.00 0.00 C ATOM 1208 O LEU A 77 8.613 8.285 -7.505 1.00 0.00 O ATOM 1209 CB LEU A 77 10.944 8.270 -4.954 1.00 0.00 C ATOM 1210 CG LEU A 77 10.578 9.743 -4.767 1.00 0.00 C ATOM 1211 CD1 LEU A 77 9.291 9.880 -3.969 1.00 0.00 C ATOM 1212 CD2 LEU A 77 11.708 10.484 -4.077 1.00 0.00 C ATOM 0 H LEU A 77 10.526 5.655 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 77 8.953 7.528 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.127 7.831 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.880 8.213 -5.509 1.00 0.00 H new ATOM 0 HG LEU A 77 10.420 10.185 -5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.049 10.936 -3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.480 9.380 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.421 9.422 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.433 11.531 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.893 10.037 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.611 10.417 -4.684 1.00 0.00 H new ATOM 1224 N GLU A 78 10.796 7.879 -7.883 1.00 0.00 N ATOM 1225 CA GLU A 78 10.739 8.217 -9.293 1.00 0.00 C ATOM 1226 C GLU A 78 9.812 7.257 -10.027 1.00 0.00 C ATOM 1227 O GLU A 78 9.125 7.638 -10.971 1.00 0.00 O ATOM 1228 CB GLU A 78 12.138 8.170 -9.915 1.00 0.00 C ATOM 1229 CG GLU A 78 13.053 9.312 -9.497 1.00 0.00 C ATOM 1230 CD GLU A 78 13.560 9.185 -8.078 1.00 0.00 C ATOM 1231 OE1 GLU A 78 12.900 9.697 -7.161 1.00 0.00 O ATOM 1232 OE2 GLU A 78 14.630 8.575 -7.878 1.00 0.00 O ATOM 0 H GLU A 78 11.725 7.621 -7.551 1.00 0.00 H new ATOM 0 HA GLU A 78 10.349 9.230 -9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.610 7.225 -9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.040 8.179 -11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.904 9.354 -10.177 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.516 10.255 -9.600 1.00 0.00 H new ATOM 1239 N GLN A 79 9.792 6.014 -9.563 1.00 0.00 N ATOM 1240 CA GLN A 79 8.927 4.990 -10.132 1.00 0.00 C ATOM 1241 C GLN A 79 7.460 5.402 -10.022 1.00 0.00 C ATOM 1242 O GLN A 79 6.665 5.151 -10.929 1.00 0.00 O ATOM 1243 CB GLN A 79 9.155 3.657 -9.414 1.00 0.00 C ATOM 1244 CG GLN A 79 10.595 3.169 -9.481 1.00 0.00 C ATOM 1245 CD GLN A 79 10.830 1.912 -8.663 1.00 0.00 C ATOM 1246 OE1 GLN A 79 10.167 1.684 -7.650 1.00 0.00 O ATOM 1247 NE2 GLN A 79 11.781 1.098 -9.089 1.00 0.00 N ATOM 0 H GLN A 79 10.370 5.690 -8.788 1.00 0.00 H new ATOM 0 HA GLN A 79 9.173 4.874 -11.187 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.864 3.762 -8.369 1.00 0.00 H new ATOM 0 HB3 GLN A 79 8.503 2.901 -9.852 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.860 2.975 -10.520 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.258 3.958 -9.125 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.306 1.325 -9.933 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.989 0.243 -8.573 1.00 0.00 H new ATOM 1256 N SER A 80 7.113 6.052 -8.911 1.00 0.00 N ATOM 1257 CA SER A 80 5.750 6.515 -8.673 1.00 0.00 C ATOM 1258 C SER A 80 5.316 7.532 -9.728 1.00 0.00 C ATOM 1259 O SER A 80 4.139 7.607 -10.084 1.00 0.00 O ATOM 1260 CB SER A 80 5.662 7.139 -7.283 1.00 0.00 C ATOM 1261 OG SER A 80 6.421 6.385 -6.350 1.00 0.00 O ATOM 0 H SER A 80 7.765 6.270 -8.157 1.00 0.00 H new ATOM 0 HA SER A 80 5.079 5.658 -8.738 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.029 8.165 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.621 7.183 -6.963 1.00 0.00 H new ATOM 0 HG SER A 80 6.759 6.979 -5.647 1.00 0.00 H new ATOM 1267 N GLU A 81 6.278 8.298 -10.232 1.00 0.00 N ATOM 1268 CA GLU A 81 6.007 9.318 -11.238 1.00 0.00 C ATOM 1269 C GLU A 81 5.499 8.669 -12.521 1.00 0.00 C ATOM 1270 O GLU A 81 4.554 9.151 -13.142 1.00 0.00 O ATOM 1271 CB GLU A 81 7.278 10.131 -11.517 1.00 0.00 C ATOM 1272 CG GLU A 81 7.058 11.314 -12.446 1.00 0.00 C ATOM 1273 CD GLU A 81 8.316 12.132 -12.669 1.00 0.00 C ATOM 1274 OE1 GLU A 81 8.885 12.640 -11.680 1.00 0.00 O ATOM 1275 OE2 GLU A 81 8.729 12.285 -13.837 1.00 0.00 O ATOM 0 H GLU A 81 7.258 8.231 -9.958 1.00 0.00 H new ATOM 0 HA GLU A 81 5.237 9.991 -10.861 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.681 10.494 -10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.030 9.474 -11.953 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.691 10.952 -13.406 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.282 11.957 -12.030 1.00 0.00 H new ATOM 1282 N ALA A 82 6.117 7.555 -12.891 1.00 0.00 N ATOM 1283 CA ALA A 82 5.718 6.821 -14.081 1.00 0.00 C ATOM 1284 C ALA A 82 4.397 6.091 -13.849 1.00 0.00 C ATOM 1285 O ALA A 82 3.562 5.998 -14.749 1.00 0.00 O ATOM 1286 CB ALA A 82 6.808 5.837 -14.478 1.00 0.00 C ATOM 0 H ALA A 82 6.898 7.141 -12.382 1.00 0.00 H new ATOM 0 HA ALA A 82 5.574 7.532 -14.894 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.499 5.292 -15.370 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.730 6.380 -14.685 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.977 5.133 -13.663 1.00 0.00 H new ATOM 1292 N ILE A 83 4.214 5.578 -12.633 1.00 0.00 N ATOM 1293 CA ILE A 83 3.001 4.844 -12.288 1.00 0.00 C ATOM 1294 C ILE A 83 1.775 5.747 -12.379 1.00 0.00 C ATOM 1295 O ILE A 83 0.742 5.347 -12.911 1.00 0.00 O ATOM 1296 CB ILE A 83 3.088 4.223 -10.874 1.00 0.00 C ATOM 1297 CG1 ILE A 83 4.243 3.220 -10.812 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.776 3.543 -10.500 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.420 2.574 -9.454 1.00 0.00 C ATOM 0 H ILE A 83 4.890 5.658 -11.873 1.00 0.00 H new ATOM 0 HA ILE A 83 2.903 4.034 -13.010 1.00 0.00 H new ATOM 0 HB ILE A 83 3.274 5.022 -10.156 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.075 2.441 -11.555 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.168 3.728 -11.086 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.860 3.113 -9.502 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.970 4.276 -10.512 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.558 2.752 -11.218 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.257 1.876 -9.489 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.620 3.343 -8.708 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.511 2.036 -9.186 1.00 0.00 H new ATOM 1311 N GLY A 84 1.906 6.971 -11.884 1.00 0.00 N ATOM 1312 CA GLY A 84 0.805 7.916 -11.935 1.00 0.00 C ATOM 1313 C GLY A 84 0.374 8.230 -13.356 1.00 0.00 C ATOM 1314 O GLY A 84 -0.813 8.384 -13.634 1.00 0.00 O ATOM 0 H GLY A 84 2.756 7.328 -11.447 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.043 7.511 -11.383 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.099 8.839 -11.436 1.00 0.00 H new ATOM 1318 N ASP A 85 1.337 8.297 -14.262 1.00 0.00 N ATOM 1319 CA ASP A 85 1.057 8.628 -15.657 1.00 0.00 C ATOM 1320 C ASP A 85 0.360 7.471 -16.354 1.00 0.00 C ATOM 1321 O ASP A 85 -0.459 7.668 -17.253 1.00 0.00 O ATOM 1322 CB ASP A 85 2.354 8.941 -16.391 1.00 0.00 C ATOM 1323 CG ASP A 85 2.114 9.602 -17.733 1.00 0.00 C ATOM 1324 OD1 ASP A 85 1.970 8.888 -18.745 1.00 0.00 O ATOM 1325 OD2 ASP A 85 2.070 10.846 -17.782 1.00 0.00 O ATOM 0 H ASP A 85 2.322 8.127 -14.059 1.00 0.00 H new ATOM 0 HA ASP A 85 0.404 9.501 -15.673 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.970 9.594 -15.772 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.916 8.019 -16.539 1.00 0.00 H new ATOM 1330 N ARG A 86 0.698 6.267 -15.914 1.00 0.00 N ATOM 1331 CA ARG A 86 0.176 5.025 -16.488 1.00 0.00 C ATOM 1332 C ARG A 86 -1.347 5.065 -16.621 1.00 0.00 C ATOM 1333 O ARG A 86 -1.903 4.624 -17.626 1.00 0.00 O ATOM 1334 CB ARG A 86 0.595 3.847 -15.600 1.00 0.00 C ATOM 1335 CG ARG A 86 0.412 2.473 -16.230 1.00 0.00 C ATOM 1336 CD ARG A 86 1.283 2.300 -17.467 1.00 0.00 C ATOM 1337 NE ARG A 86 1.660 0.902 -17.679 1.00 0.00 N ATOM 1338 CZ ARG A 86 1.013 0.060 -18.486 1.00 0.00 C ATOM 1339 NH1 ARG A 86 -0.069 0.453 -19.143 1.00 0.00 N ATOM 1340 NH2 ARG A 86 1.449 -1.184 -18.626 1.00 0.00 N ATOM 0 H ARG A 86 1.348 6.119 -15.142 1.00 0.00 H new ATOM 0 HA ARG A 86 0.591 4.905 -17.489 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.644 3.970 -15.329 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.020 3.886 -14.675 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.659 1.702 -15.500 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.635 2.333 -16.499 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.748 2.668 -18.342 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.183 2.907 -17.365 1.00 0.00 H new ATOM 0 HE ARG A 86 2.473 0.547 -17.175 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.414 1.407 -19.034 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.557 -0.198 -19.758 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.277 -1.495 -18.117 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.957 -1.831 -19.242 1.00 0.00 H new ATOM 1354 N PHE A 87 -2.016 5.607 -15.610 1.00 0.00 N ATOM 1355 CA PHE A 87 -3.475 5.684 -15.612 1.00 0.00 C ATOM 1356 C PHE A 87 -3.963 7.118 -15.422 1.00 0.00 C ATOM 1357 O PHE A 87 -5.128 7.345 -15.097 1.00 0.00 O ATOM 1358 CB PHE A 87 -4.056 4.767 -14.531 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.248 4.740 -13.265 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.274 5.806 -12.383 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -2.458 3.645 -12.961 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.521 5.784 -11.225 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -1.706 3.615 -11.806 1.00 0.00 C ATOM 1364 CZ PHE A 87 -1.738 4.686 -10.937 1.00 0.00 C ATOM 0 H PHE A 87 -1.574 6.000 -14.779 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.826 5.346 -16.587 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.070 5.092 -14.298 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.129 3.754 -14.927 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.890 6.665 -12.603 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.430 2.803 -13.637 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.545 6.624 -10.547 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.093 2.755 -11.582 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.150 4.665 -10.031 1.00 0.00 H new ATOM 1374 N ASN A 88 -3.062 8.069 -15.647 1.00 0.00 N ATOM 1375 CA ASN A 88 -3.373 9.501 -15.583 1.00 0.00 C ATOM 1376 C ASN A 88 -3.871 9.931 -14.201 1.00 0.00 C ATOM 1377 O ASN A 88 -5.070 10.116 -13.981 1.00 0.00 O ATOM 1378 CB ASN A 88 -4.396 9.893 -16.658 1.00 0.00 C ATOM 1379 CG ASN A 88 -4.715 11.378 -16.643 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -3.879 12.202 -16.268 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -5.925 11.731 -17.042 1.00 0.00 N ATOM 0 H ASN A 88 -2.089 7.871 -15.880 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.438 10.028 -15.773 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.011 9.617 -17.640 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.314 9.326 -16.505 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.194 12.715 -17.046 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.590 11.019 -17.345 1.00 0.00 H new ATOM 1388 N VAL A 89 -2.937 10.057 -13.271 1.00 0.00 N ATOM 1389 CA VAL A 89 -3.207 10.604 -11.946 1.00 0.00 C ATOM 1390 C VAL A 89 -2.004 11.436 -11.508 1.00 0.00 C ATOM 1391 O VAL A 89 -0.867 11.087 -11.826 1.00 0.00 O ATOM 1392 CB VAL A 89 -3.477 9.489 -10.897 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -3.635 10.072 -9.501 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -4.716 8.686 -11.264 1.00 0.00 C ATOM 0 H VAL A 89 -1.965 9.782 -13.413 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.105 11.219 -12.006 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.613 8.824 -10.899 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.823 9.268 -8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.722 10.598 -9.221 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.473 10.769 -9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.883 7.912 -10.515 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.581 9.348 -11.301 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.573 8.221 -12.239 1.00 0.00 H new ATOM 1404 N ARG A 90 -2.249 12.543 -10.811 1.00 0.00 N ATOM 1405 CA ARG A 90 -1.158 13.375 -10.315 1.00 0.00 C ATOM 1406 C ARG A 90 -0.367 12.633 -9.240 1.00 0.00 C ATOM 1407 O ARG A 90 -0.883 11.714 -8.599 1.00 0.00 O ATOM 1408 CB ARG A 90 -1.673 14.714 -9.768 1.00 0.00 C ATOM 1409 CG ARG A 90 -2.057 15.724 -10.844 1.00 0.00 C ATOM 1410 CD ARG A 90 -3.395 15.398 -11.485 1.00 0.00 C ATOM 1411 NE ARG A 90 -4.507 15.598 -10.557 1.00 0.00 N ATOM 1412 CZ ARG A 90 -5.755 15.201 -10.794 1.00 0.00 C ATOM 1413 NH1 ARG A 90 -6.056 14.563 -11.919 1.00 0.00 N ATOM 1414 NH2 ARG A 90 -6.705 15.445 -9.905 1.00 0.00 N ATOM 0 H ARG A 90 -3.183 12.881 -10.579 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.498 13.590 -11.156 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.541 14.526 -9.136 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.905 15.153 -9.131 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.099 16.721 -10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.284 15.746 -11.612 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.539 16.026 -12.365 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.391 14.364 -11.829 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.315 16.071 -9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.328 14.374 -12.609 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.015 14.262 -12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.480 15.937 -9.040 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.662 15.141 -10.085 1.00 0.00 H new ATOM 1428 N ARG A 91 0.877 13.042 -9.038 1.00 0.00 N ATOM 1429 CA ARG A 91 1.785 12.323 -8.153 1.00 0.00 C ATOM 1430 C ARG A 91 1.448 12.572 -6.686 1.00 0.00 C ATOM 1431 O ARG A 91 1.926 13.528 -6.076 1.00 0.00 O ATOM 1432 CB ARG A 91 3.237 12.714 -8.442 1.00 0.00 C ATOM 1433 CG ARG A 91 3.583 12.674 -9.920 1.00 0.00 C ATOM 1434 CD ARG A 91 5.077 12.808 -10.157 1.00 0.00 C ATOM 1435 NE ARG A 91 5.649 14.002 -9.535 1.00 0.00 N ATOM 1436 CZ ARG A 91 6.334 14.933 -10.196 1.00 0.00 C ATOM 1437 NH1 ARG A 91 6.391 14.912 -11.523 1.00 0.00 N ATOM 1438 NH2 ARG A 91 6.937 15.908 -9.522 1.00 0.00 N ATOM 0 H ARG A 91 1.282 13.870 -9.475 1.00 0.00 H new ATOM 0 HA ARG A 91 1.663 11.257 -8.347 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.419 13.718 -8.060 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.902 12.041 -7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.230 11.737 -10.350 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.060 13.479 -10.437 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.582 11.924 -9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.268 12.837 -11.230 1.00 0.00 H new ATOM 0 HE ARG A 91 5.515 14.129 -8.532 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.908 14.179 -12.043 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.918 15.629 -12.022 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.873 15.940 -8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.463 16.624 -10.023 1.00 0.00 H new ATOM 1452 N PHE A 92 0.597 11.716 -6.137 1.00 0.00 N ATOM 1453 CA PHE A 92 0.242 11.776 -4.726 1.00 0.00 C ATOM 1454 C PHE A 92 0.560 10.448 -4.049 1.00 0.00 C ATOM 1455 O PHE A 92 0.458 9.388 -4.672 1.00 0.00 O ATOM 1456 CB PHE A 92 -1.248 12.096 -4.546 1.00 0.00 C ATOM 1457 CG PHE A 92 -1.655 13.446 -5.060 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -1.171 14.603 -4.470 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -2.535 13.556 -6.125 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -1.554 15.846 -4.937 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -2.919 14.795 -6.597 1.00 0.00 C ATOM 1462 CZ PHE A 92 -2.429 15.941 -6.003 1.00 0.00 C ATOM 0 H PHE A 92 0.136 10.966 -6.653 1.00 0.00 H new ATOM 0 HA PHE A 92 0.828 12.571 -4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.836 11.333 -5.056 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.496 12.033 -3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.488 14.532 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.924 12.663 -6.591 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.171 16.741 -4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.602 14.868 -7.430 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.729 16.911 -6.371 1.00 0.00 H new ATOM 1472 N PRO A 93 0.968 10.485 -2.774 1.00 0.00 N ATOM 1473 CA PRO A 93 1.221 9.270 -1.998 1.00 0.00 C ATOM 1474 C PRO A 93 -0.078 8.553 -1.630 1.00 0.00 C ATOM 1475 O PRO A 93 -0.842 9.017 -0.779 1.00 0.00 O ATOM 1476 CB PRO A 93 1.932 9.788 -0.745 1.00 0.00 C ATOM 1477 CG PRO A 93 1.475 11.199 -0.602 1.00 0.00 C ATOM 1478 CD PRO A 93 1.227 11.709 -1.996 1.00 0.00 C ATOM 0 HA PRO A 93 1.806 8.537 -2.553 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.669 9.196 0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.015 9.732 -0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.567 11.254 -0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.229 11.802 -0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.377 12.391 -2.028 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.088 12.254 -2.382 1.00 0.00 H new ATOM 1486 N ALA A 94 -0.334 7.433 -2.290 1.00 0.00 N ATOM 1487 CA ALA A 94 -1.554 6.676 -2.066 1.00 0.00 C ATOM 1488 C ALA A 94 -1.350 5.217 -2.436 1.00 0.00 C ATOM 1489 O ALA A 94 -0.470 4.886 -3.233 1.00 0.00 O ATOM 1490 CB ALA A 94 -2.700 7.269 -2.874 1.00 0.00 C ATOM 0 H ALA A 94 0.290 7.028 -2.987 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.806 6.733 -1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.607 6.692 -2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.862 8.303 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.452 7.237 -3.935 1.00 0.00 H new ATOM 1496 N THR A 95 -2.157 4.351 -1.852 1.00 0.00 N ATOM 1497 CA THR A 95 -2.108 2.934 -2.152 1.00 0.00 C ATOM 1498 C THR A 95 -3.250 2.563 -3.093 1.00 0.00 C ATOM 1499 O THR A 95 -4.414 2.849 -2.809 1.00 0.00 O ATOM 1500 CB THR A 95 -2.215 2.102 -0.862 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.343 2.646 0.137 1.00 0.00 O ATOM 1502 CG2 THR A 95 -1.844 0.650 -1.117 1.00 0.00 C ATOM 0 H THR A 95 -2.861 4.609 -1.160 1.00 0.00 H new ATOM 0 HA THR A 95 -1.154 2.717 -2.632 1.00 0.00 H new ATOM 0 HB THR A 95 -3.248 2.141 -0.516 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.631 2.343 1.023 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.928 0.085 -0.189 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.519 0.228 -1.862 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.819 0.595 -1.483 1.00 0.00 H new ATOM 1510 N LEU A 96 -2.917 1.941 -4.213 1.00 0.00 N ATOM 1511 CA LEU A 96 -3.914 1.550 -5.196 1.00 0.00 C ATOM 1512 C LEU A 96 -4.399 0.132 -4.927 1.00 0.00 C ATOM 1513 O LEU A 96 -3.593 -0.778 -4.742 1.00 0.00 O ATOM 1514 CB LEU A 96 -3.319 1.607 -6.601 1.00 0.00 C ATOM 1515 CG LEU A 96 -2.683 2.931 -7.009 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -1.919 2.752 -8.309 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -3.740 4.010 -7.162 1.00 0.00 C ATOM 0 H LEU A 96 -1.959 1.695 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.753 2.242 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.565 0.824 -6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.106 1.370 -7.316 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.991 3.244 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.466 3.700 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.139 2.003 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.604 2.424 -9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.264 4.946 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.455 3.712 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.260 4.147 -6.214 1.00 0.00 H new ATOM 1529 N VAL A 97 -5.710 -0.047 -4.911 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.309 -1.353 -4.680 1.00 0.00 C ATOM 1531 C VAL A 97 -6.600 -2.053 -6.003 1.00 0.00 C ATOM 1532 O VAL A 97 -7.387 -1.562 -6.817 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.614 -1.230 -3.868 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -8.277 -2.589 -3.697 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.343 -0.593 -2.513 1.00 0.00 C ATOM 0 H VAL A 97 -6.386 0.703 -5.057 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.594 -1.945 -4.109 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.298 -0.586 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.195 -2.476 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.512 -3.005 -4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.599 -3.261 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.276 -0.515 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.637 -1.209 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.921 0.402 -2.656 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.960 -3.195 -6.215 1.00 0.00 N ATOM 1546 CA PHE A 98 -6.146 -3.962 -7.434 1.00 0.00 C ATOM 1547 C PHE A 98 -6.783 -5.310 -7.132 1.00 0.00 C ATOM 1548 O PHE A 98 -6.257 -6.096 -6.339 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.808 -4.200 -8.141 1.00 0.00 C ATOM 1550 CG PHE A 98 -4.157 -2.959 -8.674 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.398 -2.153 -7.849 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.291 -2.612 -10.009 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.791 -1.016 -8.342 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.687 -1.474 -10.506 1.00 0.00 C ATOM 1555 CZ PHE A 98 -2.933 -0.677 -9.671 1.00 0.00 C ATOM 0 H PHE A 98 -5.304 -3.610 -5.553 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.803 -3.383 -8.084 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -4.124 -4.683 -7.443 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.966 -4.895 -8.966 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.278 -2.415 -6.808 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.874 -3.238 -10.668 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.204 -0.391 -7.686 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.805 -1.209 -11.546 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.455 0.211 -10.057 1.00 0.00 H new ATOM 1565 N THR A 99 -7.916 -5.570 -7.757 1.00 0.00 N ATOM 1566 CA THR A 99 -8.547 -6.876 -7.692 1.00 0.00 C ATOM 1567 C THR A 99 -9.040 -7.238 -9.081 1.00 0.00 C ATOM 1568 O THR A 99 -9.254 -6.346 -9.905 1.00 0.00 O ATOM 1569 CB THR A 99 -9.742 -6.917 -6.709 1.00 0.00 C ATOM 1570 OG1 THR A 99 -10.865 -6.229 -7.270 1.00 0.00 O ATOM 1571 CG2 THR A 99 -9.381 -6.295 -5.364 1.00 0.00 C ATOM 0 H THR A 99 -8.423 -4.887 -8.321 1.00 0.00 H new ATOM 0 HA THR A 99 -7.805 -7.587 -7.328 1.00 0.00 H new ATOM 0 HB THR A 99 -9.998 -7.963 -6.543 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.401 -6.855 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.243 -6.341 -4.699 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.551 -6.844 -4.920 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.091 -5.255 -5.510 1.00 0.00 H new ATOM 1579 N ASP A 100 -9.186 -8.534 -9.356 1.00 0.00 N ATOM 1580 CA ASP A 100 -9.713 -9.001 -10.644 1.00 0.00 C ATOM 1581 C ASP A 100 -8.741 -8.688 -11.777 1.00 0.00 C ATOM 1582 O ASP A 100 -9.072 -8.836 -12.957 1.00 0.00 O ATOM 1583 CB ASP A 100 -11.072 -8.350 -10.948 1.00 0.00 C ATOM 1584 CG ASP A 100 -12.147 -8.693 -9.933 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -12.228 -8.002 -8.890 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -12.932 -9.633 -10.183 1.00 0.00 O ATOM 0 H ASP A 100 -8.947 -9.282 -8.705 1.00 0.00 H new ATOM 0 HA ASP A 100 -9.841 -10.081 -10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.948 -7.268 -10.983 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -11.404 -8.665 -11.937 1.00 0.00 H new ATOM 1591 N GLY A 101 -7.537 -8.276 -11.414 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.578 -7.822 -12.399 1.00 0.00 C ATOM 1593 C GLY A 101 -6.893 -6.422 -12.886 1.00 0.00 C ATOM 1594 O GLY A 101 -6.385 -5.983 -13.919 1.00 0.00 O ATOM 0 H GLY A 101 -7.205 -8.248 -10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.577 -7.840 -11.968 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.573 -8.509 -13.245 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.757 -5.729 -12.151 1.00 0.00 N ATOM 1599 CA LYS A 102 -8.148 -4.370 -12.495 1.00 0.00 C ATOM 1600 C LYS A 102 -7.986 -3.437 -11.293 1.00 0.00 C ATOM 1601 O LYS A 102 -7.853 -3.888 -10.154 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.599 -4.366 -12.989 1.00 0.00 C ATOM 1603 CG LYS A 102 -9.804 -5.221 -14.229 1.00 0.00 C ATOM 1604 CD LYS A 102 -11.273 -5.416 -14.555 1.00 0.00 C ATOM 1605 CE LYS A 102 -11.452 -6.345 -15.748 1.00 0.00 C ATOM 1606 NZ LYS A 102 -10.854 -7.689 -15.507 1.00 0.00 N ATOM 0 H LYS A 102 -8.202 -6.091 -11.308 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.498 -4.005 -13.290 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.250 -4.728 -12.193 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.901 -3.341 -13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.304 -4.753 -15.077 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.335 -6.193 -14.079 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.789 -5.829 -13.688 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.732 -4.451 -14.770 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.515 -6.455 -15.965 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.992 -5.897 -16.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.210 -8.360 -16.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.818 -7.626 -15.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.116 -8.020 -14.557 1.00 0.00 H new ATOM 1620 N LEU A 103 -7.992 -2.139 -11.551 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.832 -1.146 -10.496 1.00 0.00 C ATOM 1622 C LEU A 103 -9.192 -0.742 -9.940 1.00 0.00 C ATOM 1623 O LEU A 103 -10.080 -0.344 -10.688 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.087 0.080 -11.035 1.00 0.00 C ATOM 1625 CG LEU A 103 -6.884 1.222 -10.034 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.087 0.752 -8.830 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.190 2.398 -10.707 1.00 0.00 C ATOM 0 H LEU A 103 -8.106 -1.745 -12.485 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.245 -1.583 -9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.110 -0.240 -11.397 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.634 0.467 -11.895 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.864 1.548 -9.685 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.956 1.581 -8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.621 -0.058 -8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.110 0.395 -9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.052 3.202 -9.984 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.218 2.079 -11.085 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.802 2.756 -11.535 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.351 -0.862 -8.629 1.00 0.00 N ATOM 1640 CA ARG A 104 -10.602 -0.506 -7.971 1.00 0.00 C ATOM 1641 C ARG A 104 -10.579 0.944 -7.501 1.00 0.00 C ATOM 1642 O ARG A 104 -11.579 1.658 -7.611 1.00 0.00 O ATOM 1643 CB ARG A 104 -10.865 -1.429 -6.780 1.00 0.00 C ATOM 1644 CG ARG A 104 -11.131 -2.875 -7.164 1.00 0.00 C ATOM 1645 CD ARG A 104 -12.407 -3.013 -7.980 1.00 0.00 C ATOM 1646 NE ARG A 104 -12.713 -4.409 -8.280 1.00 0.00 N ATOM 1647 CZ ARG A 104 -13.897 -4.844 -8.717 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -14.905 -3.995 -8.887 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -14.076 -6.130 -8.975 1.00 0.00 N ATOM 0 H ARG A 104 -8.627 -1.204 -7.998 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.405 -0.624 -8.699 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.006 -1.394 -6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.720 -1.049 -6.221 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.288 -3.260 -7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.208 -3.483 -6.263 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.238 -2.569 -7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.305 -2.456 -8.911 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.973 -5.098 -8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.777 -3.004 -8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.807 -4.335 -9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.309 -6.789 -8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.981 -6.462 -9.309 1.00 0.00 H new ATOM 1663 N GLY A 105 -9.443 1.376 -6.972 1.00 0.00 N ATOM 1664 CA GLY A 105 -9.337 2.738 -6.482 1.00 0.00 C ATOM 1665 C GLY A 105 -8.071 2.975 -5.691 1.00 0.00 C ATOM 1666 O GLY A 105 -7.206 2.102 -5.626 1.00 0.00 O ATOM 0 H GLY A 105 -8.598 0.814 -6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.368 3.427 -7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.200 2.963 -5.855 1.00 0.00 H new ATOM 1670 N ALA A 106 -7.964 4.151 -5.087 1.00 0.00 N ATOM 1671 CA ALA A 106 -6.780 4.513 -4.324 1.00 0.00 C ATOM 1672 C ALA A 106 -7.145 5.017 -2.934 1.00 0.00 C ATOM 1673 O ALA A 106 -8.112 5.760 -2.765 1.00 0.00 O ATOM 1674 CB ALA A 106 -5.984 5.574 -5.067 1.00 0.00 C ATOM 0 H ALA A 106 -8.686 4.871 -5.112 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.171 3.617 -4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.100 5.838 -4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.678 5.186 -6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -6.603 6.460 -5.209 1.00 0.00 H new ATOM 1680 N LEU A 107 -6.372 4.595 -1.943 1.00 0.00 N ATOM 1681 CA LEU A 107 -6.520 5.077 -0.577 1.00 0.00 C ATOM 1682 C LEU A 107 -5.198 5.675 -0.113 1.00 0.00 C ATOM 1683 O LEU A 107 -4.166 5.013 -0.172 1.00 0.00 O ATOM 1684 CB LEU A 107 -6.939 3.943 0.375 1.00 0.00 C ATOM 1685 CG LEU A 107 -8.408 3.508 0.323 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -9.330 4.702 0.490 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -8.720 2.760 -0.964 1.00 0.00 C ATOM 0 H LEU A 107 -5.626 3.910 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.303 5.835 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.319 3.073 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.712 4.254 1.395 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.580 2.824 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -10.367 4.369 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.139 5.178 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.147 5.418 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.770 2.466 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.521 3.407 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.094 1.870 -1.029 1.00 0.00 H new ATOM 1699 N SER A 108 -5.226 6.921 0.328 1.00 0.00 N ATOM 1700 CA SER A 108 -4.008 7.607 0.740 1.00 0.00 C ATOM 1701 C SER A 108 -3.546 7.158 2.128 1.00 0.00 C ATOM 1702 O SER A 108 -2.632 6.342 2.255 1.00 0.00 O ATOM 1703 CB SER A 108 -4.227 9.123 0.703 1.00 0.00 C ATOM 1704 OG SER A 108 -5.457 9.476 1.321 1.00 0.00 O ATOM 0 H SER A 108 -6.076 7.479 0.411 1.00 0.00 H new ATOM 0 HA SER A 108 -3.217 7.344 0.038 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.404 9.625 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.223 9.469 -0.331 1.00 0.00 H new ATOM 0 HG SER A 108 -5.573 10.448 1.286 1.00 0.00 H new ATOM 1710 N GLY A 109 -4.185 7.686 3.159 1.00 0.00 N ATOM 1711 CA GLY A 109 -3.814 7.345 4.517 1.00 0.00 C ATOM 1712 C GLY A 109 -4.965 7.531 5.479 1.00 0.00 C ATOM 1713 O GLY A 109 -4.979 8.472 6.270 1.00 0.00 O ATOM 0 H GLY A 109 -4.957 8.348 3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.475 6.309 4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.975 7.966 4.831 1.00 0.00 H new ATOM 1717 N ILE A 110 -5.934 6.632 5.406 1.00 0.00 N ATOM 1718 CA ILE A 110 -7.124 6.715 6.239 1.00 0.00 C ATOM 1719 C ILE A 110 -6.775 6.470 7.711 1.00 0.00 C ATOM 1720 O ILE A 110 -5.926 5.635 8.033 1.00 0.00 O ATOM 1721 CB ILE A 110 -8.203 5.709 5.764 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -9.505 5.882 6.552 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -7.694 4.279 5.877 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -10.196 7.206 6.297 1.00 0.00 C ATOM 0 H ILE A 110 -5.919 5.831 4.774 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.530 7.722 6.144 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.415 5.917 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.186 5.071 6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.290 5.793 7.617 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -8.467 3.590 5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.805 4.159 5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -7.445 4.063 6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -11.110 7.259 6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.533 8.023 6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -10.443 7.290 5.239 1.00 0.00 H new ATOM 1736 N HIS A 111 -7.401 7.232 8.598 1.00 0.00 N ATOM 1737 CA HIS A 111 -7.181 7.074 10.031 1.00 0.00 C ATOM 1738 C HIS A 111 -8.417 6.497 10.727 1.00 0.00 C ATOM 1739 O HIS A 111 -8.296 5.525 11.476 1.00 0.00 O ATOM 1740 CB HIS A 111 -6.765 8.400 10.685 1.00 0.00 C ATOM 1741 CG HIS A 111 -5.381 8.839 10.319 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -5.109 10.042 9.702 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -4.181 8.239 10.507 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -3.807 10.159 9.522 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -3.221 9.079 10.000 1.00 0.00 N ATOM 0 H HIS A 111 -8.065 7.966 8.351 1.00 0.00 H new ATOM 0 HA HIS A 111 -6.362 6.365 10.153 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -7.473 9.177 10.395 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.831 8.298 11.768 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.011 7.278 10.970 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.306 10.998 9.061 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.217 8.897 9.994 1.00 0.00 H new ATOM 1754 N PRO A 112 -9.623 7.079 10.518 1.00 0.00 N ATOM 1755 CA PRO A 112 -10.863 6.524 11.074 1.00 0.00 C ATOM 1756 C PRO A 112 -11.155 5.125 10.542 1.00 0.00 C ATOM 1757 O PRO A 112 -10.742 4.764 9.438 1.00 0.00 O ATOM 1758 CB PRO A 112 -11.951 7.502 10.614 1.00 0.00 C ATOM 1759 CG PRO A 112 -11.221 8.755 10.283 1.00 0.00 C ATOM 1760 CD PRO A 112 -9.886 8.315 9.761 1.00 0.00 C ATOM 0 HA PRO A 112 -10.804 6.420 12.157 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -12.488 7.117 9.747 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -12.689 7.670 11.398 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -11.761 9.338 9.537 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -11.109 9.388 11.163 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -9.913 8.132 8.687 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -9.117 9.067 9.937 1.00 0.00 H new ATOM 1768 N TRP A 113 -11.868 4.343 11.331 1.00 0.00 N ATOM 1769 CA TRP A 113 -12.201 2.984 10.951 1.00 0.00 C ATOM 1770 C TRP A 113 -13.720 2.821 10.959 1.00 0.00 C ATOM 1771 O TRP A 113 -14.438 3.817 11.047 1.00 0.00 O ATOM 1772 CB TRP A 113 -11.529 1.995 11.911 1.00 0.00 C ATOM 1773 CG TRP A 113 -11.141 0.694 11.274 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -11.829 -0.485 11.321 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -9.962 0.439 10.502 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -11.154 -1.453 10.619 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -10.003 -0.911 10.109 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -8.875 1.225 10.105 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -9.001 -1.492 9.337 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -7.880 0.647 9.340 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -7.949 -0.701 8.962 1.00 0.00 C ATOM 0 H TRP A 113 -12.228 4.627 12.242 1.00 0.00 H new ATOM 0 HA TRP A 113 -11.834 2.775 9.946 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.638 2.461 12.332 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -12.206 1.794 12.741 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.767 -0.634 11.835 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -11.459 -2.418 10.497 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -8.815 2.265 10.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -9.052 -2.530 9.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.035 1.244 9.028 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -7.156 -1.124 8.363 1.00 0.00 H new ATOM 1792 N ALA A 114 -14.194 1.578 10.846 1.00 0.00 N ATOM 1793 CA ALA A 114 -15.628 1.265 10.792 1.00 0.00 C ATOM 1794 C ALA A 114 -16.250 1.711 9.466 1.00 0.00 C ATOM 1795 O ALA A 114 -16.853 0.905 8.760 1.00 0.00 O ATOM 1796 CB ALA A 114 -16.376 1.863 11.979 1.00 0.00 C ATOM 0 H ALA A 114 -13.593 0.756 10.789 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.724 0.181 10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -17.434 1.612 11.906 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.970 1.459 12.906 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -16.259 2.947 11.974 1.00 0.00 H new ATOM 1802 N GLU A 115 -16.076 2.986 9.120 1.00 0.00 N ATOM 1803 CA GLU A 115 -16.592 3.526 7.863 1.00 0.00 C ATOM 1804 C GLU A 115 -15.947 2.829 6.671 1.00 0.00 C ATOM 1805 O GLU A 115 -16.517 2.778 5.579 1.00 0.00 O ATOM 1806 CB GLU A 115 -16.349 5.037 7.780 1.00 0.00 C ATOM 1807 CG GLU A 115 -14.883 5.442 7.862 1.00 0.00 C ATOM 1808 CD GLU A 115 -14.701 6.937 7.729 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -14.903 7.657 8.726 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -14.372 7.403 6.618 1.00 0.00 O ATOM 0 H GLU A 115 -15.580 3.666 9.695 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.666 3.343 7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.765 5.409 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.894 5.526 8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -14.467 5.109 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.323 4.937 7.075 1.00 0.00 H new ATOM 1817 N LEU A 116 -14.754 2.286 6.897 1.00 0.00 N ATOM 1818 CA LEU A 116 -14.034 1.548 5.873 1.00 0.00 C ATOM 1819 C LEU A 116 -14.866 0.396 5.326 1.00 0.00 C ATOM 1820 O LEU A 116 -14.741 0.049 4.161 1.00 0.00 O ATOM 1821 CB LEU A 116 -12.705 1.025 6.417 1.00 0.00 C ATOM 1822 CG LEU A 116 -11.466 1.738 5.874 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -10.215 1.243 6.576 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -11.350 1.526 4.369 1.00 0.00 C ATOM 0 H LEU A 116 -14.265 2.346 7.790 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.833 2.238 5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -12.712 1.115 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.626 -0.037 6.186 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.569 2.806 6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.344 1.762 6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.296 1.440 7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.106 0.171 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -10.463 2.039 3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.268 0.460 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.235 1.927 3.876 1.00 0.00 H new ATOM 1836 N LEU A 117 -15.713 -0.188 6.165 1.00 0.00 N ATOM 1837 CA LEU A 117 -16.569 -1.292 5.740 1.00 0.00 C ATOM 1838 C LEU A 117 -17.493 -0.857 4.606 1.00 0.00 C ATOM 1839 O LEU A 117 -17.723 -1.611 3.659 1.00 0.00 O ATOM 1840 CB LEU A 117 -17.396 -1.836 6.915 1.00 0.00 C ATOM 1841 CG LEU A 117 -16.665 -2.801 7.865 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -16.162 -4.018 7.107 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -15.513 -2.108 8.581 1.00 0.00 C ATOM 0 H LEU A 117 -15.826 0.083 7.142 1.00 0.00 H new ATOM 0 HA LEU A 117 -15.921 -2.090 5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -17.761 -0.991 7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -18.270 -2.347 6.512 1.00 0.00 H new ATOM 0 HG LEU A 117 -17.380 -3.129 8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -15.648 -4.689 7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -17.006 -4.539 6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -15.471 -3.700 6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -15.018 -2.817 9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.798 -1.738 7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -15.898 -1.272 9.166 1.00 0.00 H new ATOM 1855 N THR A 118 -18.004 0.366 4.704 1.00 0.00 N ATOM 1856 CA THR A 118 -18.877 0.920 3.677 1.00 0.00 C ATOM 1857 C THR A 118 -18.098 1.174 2.386 1.00 0.00 C ATOM 1858 O THR A 118 -18.560 0.846 1.292 1.00 0.00 O ATOM 1859 CB THR A 118 -19.526 2.237 4.151 1.00 0.00 C ATOM 1860 OG1 THR A 118 -20.177 2.037 5.414 1.00 0.00 O ATOM 1861 CG2 THR A 118 -20.532 2.742 3.124 1.00 0.00 C ATOM 0 H THR A 118 -17.827 0.994 5.488 1.00 0.00 H new ATOM 0 HA THR A 118 -19.663 0.189 3.485 1.00 0.00 H new ATOM 0 HB THR A 118 -18.742 2.985 4.265 1.00 0.00 H new ATOM 0 HG1 THR A 118 -20.585 2.878 5.709 1.00 0.00 H new ATOM 0 HG21 THR A 118 -20.978 3.671 3.478 1.00 0.00 H new ATOM 0 HG22 THR A 118 -20.025 2.921 2.176 1.00 0.00 H new ATOM 0 HG23 THR A 118 -21.314 1.995 2.983 1.00 0.00 H new ATOM 1869 N LEU A 119 -16.908 1.743 2.528 1.00 0.00 N ATOM 1870 CA LEU A 119 -16.061 2.062 1.383 1.00 0.00 C ATOM 1871 C LEU A 119 -15.538 0.788 0.725 1.00 0.00 C ATOM 1872 O LEU A 119 -15.544 0.659 -0.499 1.00 0.00 O ATOM 1873 CB LEU A 119 -14.889 2.939 1.827 1.00 0.00 C ATOM 1874 CG LEU A 119 -15.279 4.275 2.465 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -14.039 5.032 2.916 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -16.094 5.115 1.491 1.00 0.00 C ATOM 0 H LEU A 119 -16.504 1.995 3.430 1.00 0.00 H new ATOM 0 HA LEU A 119 -16.660 2.606 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -14.285 2.377 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -14.257 3.139 0.961 1.00 0.00 H new ATOM 0 HG LEU A 119 -15.895 4.071 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -14.335 5.979 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -13.495 4.436 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -13.397 5.224 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -16.362 6.061 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -15.503 5.310 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -17.001 4.576 1.217 1.00 0.00 H new ATOM 1888 N MET A 120 -15.098 -0.150 1.555 1.00 0.00 N ATOM 1889 CA MET A 120 -14.562 -1.423 1.086 1.00 0.00 C ATOM 1890 C MET A 120 -15.618 -2.203 0.313 1.00 0.00 C ATOM 1891 O MET A 120 -15.302 -2.904 -0.645 1.00 0.00 O ATOM 1892 CB MET A 120 -14.074 -2.260 2.270 1.00 0.00 C ATOM 1893 CG MET A 120 -13.428 -3.577 1.868 1.00 0.00 C ATOM 1894 SD MET A 120 -13.168 -4.679 3.271 1.00 0.00 S ATOM 1895 CE MET A 120 -14.862 -5.014 3.744 1.00 0.00 C ATOM 0 H MET A 120 -15.102 -0.051 2.570 1.00 0.00 H new ATOM 0 HA MET A 120 -13.724 -1.212 0.422 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.356 -1.675 2.845 1.00 0.00 H new ATOM 0 HB3 MET A 120 -14.917 -2.466 2.929 1.00 0.00 H new ATOM 0 HG2 MET A 120 -14.057 -4.076 1.131 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.471 -3.376 1.387 1.00 0.00 H new ATOM 0 HE1 MET A 120 -14.880 -5.792 4.507 1.00 0.00 H new ATOM 0 HE2 MET A 120 -15.315 -4.106 4.141 1.00 0.00 H new ATOM 0 HE3 MET A 120 -15.424 -5.349 2.872 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.872 -2.064 0.729 1.00 0.00 N ATOM 1906 CA ARG A 121 -17.970 -2.792 0.106 1.00 0.00 C ATOM 1907 C ARG A 121 -18.078 -2.450 -1.376 1.00 0.00 C ATOM 1908 O ARG A 121 -18.256 -3.328 -2.206 1.00 0.00 O ATOM 1909 CB ARG A 121 -19.293 -2.482 0.812 1.00 0.00 C ATOM 1910 CG ARG A 121 -20.418 -3.426 0.419 1.00 0.00 C ATOM 1911 CD ARG A 121 -20.137 -4.844 0.898 1.00 0.00 C ATOM 1912 NE ARG A 121 -21.169 -5.785 0.470 1.00 0.00 N ATOM 1913 CZ ARG A 121 -21.835 -6.595 1.295 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -21.599 -6.567 2.605 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -22.738 -7.433 0.807 1.00 0.00 N ATOM 0 H ARG A 121 -17.153 -1.453 1.496 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.761 -3.858 0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -19.143 -2.535 1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.589 -1.459 0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.357 -3.074 0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.538 -3.422 -0.664 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -19.170 -5.170 0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.069 -4.852 1.986 1.00 0.00 H new ATOM 0 HE ARG A 121 -21.395 -5.825 -0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.905 -5.923 2.985 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.112 -7.189 3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.922 -7.457 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.249 -8.054 1.434 1.00 0.00 H new ATOM 1929 N SER A 122 -17.965 -1.174 -1.703 1.00 0.00 N ATOM 1930 CA SER A 122 -18.016 -0.735 -3.073 1.00 0.00 C ATOM 1931 C SER A 122 -16.785 -1.203 -3.850 1.00 0.00 C ATOM 1932 O SER A 122 -16.846 -1.428 -5.059 1.00 0.00 O ATOM 1933 CB SER A 122 -18.119 0.778 -3.078 1.00 0.00 C ATOM 1934 OG SER A 122 -19.253 1.202 -2.339 1.00 0.00 O ATOM 0 H SER A 122 -17.836 -0.423 -1.025 1.00 0.00 H new ATOM 0 HA SER A 122 -18.884 -1.170 -3.568 1.00 0.00 H new ATOM 0 HB2 SER A 122 -17.215 1.211 -2.649 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.190 1.140 -4.104 1.00 0.00 H new ATOM 0 HG SER A 122 -19.304 2.181 -2.351 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.668 -1.344 -3.148 1.00 0.00 N ATOM 1941 CA ILE A 123 -14.422 -1.780 -3.764 1.00 0.00 C ATOM 1942 C ILE A 123 -14.458 -3.277 -4.073 1.00 0.00 C ATOM 1943 O ILE A 123 -14.162 -3.696 -5.191 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.216 -1.467 -2.850 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.097 0.044 -2.635 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -11.926 -2.024 -3.436 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -11.969 0.449 -1.707 1.00 0.00 C ATOM 0 H ILE A 123 -15.600 -1.162 -2.147 1.00 0.00 H new ATOM 0 HA ILE A 123 -14.309 -1.231 -4.699 1.00 0.00 H new ATOM 0 HB ILE A 123 -13.383 -1.949 -1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -12.950 0.527 -3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -14.038 0.418 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.094 -1.789 -2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -12.012 -3.105 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -11.748 -1.577 -4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.952 1.534 -1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -12.124 -0.003 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -11.019 0.108 -2.118 1.00 0.00 H new ATOM 1959 N VAL A 124 -14.838 -4.076 -3.082 1.00 0.00 N ATOM 1960 CA VAL A 124 -14.904 -5.525 -3.244 1.00 0.00 C ATOM 1961 C VAL A 124 -16.220 -6.073 -2.704 1.00 0.00 C ATOM 1962 O VAL A 124 -16.277 -6.667 -1.630 1.00 0.00 O ATOM 1963 CB VAL A 124 -13.713 -6.249 -2.567 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -12.453 -6.092 -3.399 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -13.476 -5.718 -1.158 1.00 0.00 C ATOM 0 H VAL A 124 -15.106 -3.744 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 124 -14.845 -5.722 -4.314 1.00 0.00 H new ATOM 0 HB VAL A 124 -13.963 -7.308 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -11.627 -6.607 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.614 -6.523 -4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.213 -5.034 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.634 -6.244 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.255 -4.652 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.369 -5.878 -0.554 1.00 0.00 H new ATOM 1975 N ASP A 125 -17.284 -5.837 -3.455 1.00 0.00 N ATOM 1976 CA ASP A 125 -18.607 -6.315 -3.076 1.00 0.00 C ATOM 1977 C ASP A 125 -18.780 -7.776 -3.462 1.00 0.00 C ATOM 1978 O ASP A 125 -19.362 -8.558 -2.709 1.00 0.00 O ATOM 1979 CB ASP A 125 -19.690 -5.460 -3.742 1.00 0.00 C ATOM 1980 CG ASP A 125 -21.094 -5.911 -3.397 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -21.426 -5.999 -2.196 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -21.886 -6.151 -4.330 1.00 0.00 O ATOM 0 H ASP A 125 -17.259 -5.317 -4.332 1.00 0.00 H new ATOM 0 HA ASP A 125 -18.707 -6.230 -1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -19.563 -4.421 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -19.559 -5.494 -4.823 1.00 0.00 H new