USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 ASN : amide:sc= -0.552 K(o=-0.32,f=-14!) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -153:sc= 0.233 (180deg=-2.24!) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.146 F(o=-2.8!,f=-0.15) USER MOD Single : A 12 TYR OH : rot 52:sc= 1.26 USER MOD Single : A 14 TYR OH : rot -37:sc= 0.781 USER MOD Single : A 17 ASN : amide:sc= -1.01 X(o=-1,f=-0.57) USER MOD Single : A 19 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2!) USER MOD Single : A 23 THR OG1 : rot 53:sc= 0.972 USER MOD Single : A 29 THR OG1 : rot 70:sc= 1.02 USER MOD Single : A 32 SER OG : rot -105:sc= 1.23 USER MOD Single : A 34 TYR OH : rot 94:sc= -1.22 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.0165 X(o=0.017,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.437 USER MOD Single : A 52 GLN : amide:sc= -0.0609 X(o=-0.061,f=-0.44) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot -151:sc= 1.21 USER MOD Single : A 62 GLN : amide:sc= 0.249 K(o=0.25,f=-0.63) USER MOD Single : A 64 SER OG : rot -111:sc= 0.965 USER MOD Single : A 65 THR OG1 : rot -136:sc= 0.126 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.0976 F(o=-1.8!,f=-0.098) USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= -0.01 (180deg=-0.101) USER MOD Single : A 86 HIS : no HE2:sc= -2.19! C(o=-2.2!,f=-4.6!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -171:sc=0.000219 USER MOD Single : A 92 LYS NZ :NH3+ 169:sc=-0.00176 (180deg=-0.132) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.284 K(o=-0.28,f=-4.2!) USER MOD Single : A 97 LYS NZ :NH3+ 173:sc= 1.16 (180deg=0.946) USER MOD Single : A 98 TYR OH : rot 100:sc= 0.488 USER MOD Single : A 99 TYR OH : rot 0:sc= 0.97 USER MOD Single : A 103 LYS NZ :NH3+ -114:sc= -0.0931 (180deg=-1.76!) USER MOD Single : B 209 MET CE :methyl 152:sc= -1.08 (180deg=-2.97!) USER MOD Single : B 213 SER OG : rot 180:sc= 0 USER MOD Single : B 215 SER OG : rot -84:sc= 1.2 USER MOD Single : C 317 SER OG : rot -28:sc= 0.187 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 4.237 4.333 -6.810 1.00 0.00 N ATOM 129 CA ASN A 10 5.003 5.528 -6.912 1.00 0.00 C ATOM 130 C ASN A 10 4.265 6.706 -6.327 1.00 0.00 C ATOM 131 O ASN A 10 3.412 7.309 -6.990 1.00 0.00 O ATOM 132 CB ASN A 10 5.313 5.795 -8.379 1.00 0.00 C ATOM 133 CG ASN A 10 5.946 4.603 -9.078 1.00 0.00 C ATOM 134 OD1 ASN A 10 7.228 4.552 -9.092 1.00 0.00 O flip ATOM 135 ND2 ASN A 10 5.252 3.728 -9.606 1.00 0.00 N flip ATOM 0 HA ASN A 10 5.926 5.397 -6.348 1.00 0.00 H new ATOM 0 HB2 ASN A 10 4.392 6.066 -8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.984 6.651 -8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.235 3.798 -9.578 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.696 2.936 -10.070 1.00 0.00 H new ATOM 142 N ALA A 11 4.527 6.989 -5.073 1.00 0.00 N ATOM 143 CA ALA A 11 3.982 8.181 -4.444 1.00 0.00 C ATOM 144 C ALA A 11 4.993 9.306 -4.563 1.00 0.00 C ATOM 145 O ALA A 11 4.665 10.484 -4.384 1.00 0.00 O ATOM 146 CB ALA A 11 3.633 7.926 -2.992 1.00 0.00 C ATOM 0 H ALA A 11 5.112 6.416 -4.465 1.00 0.00 H new ATOM 0 HA ALA A 11 3.060 8.462 -4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.228 8.836 -2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.890 7.131 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.530 7.627 -2.449 1.00 0.00 H new ATOM 152 N TYR A 12 6.229 8.919 -4.862 1.00 0.00 N ATOM 153 CA TYR A 12 7.302 9.854 -5.094 1.00 0.00 C ATOM 154 C TYR A 12 7.255 10.347 -6.506 1.00 0.00 C ATOM 155 O TYR A 12 6.909 9.605 -7.440 1.00 0.00 O ATOM 156 CB TYR A 12 8.687 9.243 -4.833 1.00 0.00 C ATOM 157 CG TYR A 12 9.174 9.316 -3.412 1.00 0.00 C ATOM 158 CD1 TYR A 12 9.742 10.489 -2.931 1.00 0.00 C ATOM 159 CD2 TYR A 12 9.100 8.225 -2.562 1.00 0.00 C ATOM 160 CE1 TYR A 12 10.216 10.579 -1.645 1.00 0.00 C ATOM 161 CE2 TYR A 12 9.579 8.304 -1.268 1.00 0.00 C ATOM 162 CZ TYR A 12 10.135 9.489 -0.814 1.00 0.00 C ATOM 163 OH TYR A 12 10.621 9.578 0.476 1.00 0.00 O ATOM 0 H TYR A 12 6.506 7.941 -4.948 1.00 0.00 H new ATOM 0 HA TYR A 12 7.158 10.675 -4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.665 8.197 -5.137 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.412 9.746 -5.473 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.812 11.348 -3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.663 7.302 -2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 12 10.650 11.502 -1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 12 9.520 7.446 -0.614 1.00 0.00 H new ATOM 0 HH TYR A 12 10.239 10.366 0.916 1.00 0.00 H new ATOM 173 N ILE A 13 7.568 11.572 -6.666 1.00 0.00 N ATOM 174 CA ILE A 13 7.615 12.172 -7.946 1.00 0.00 C ATOM 175 C ILE A 13 8.980 12.719 -8.242 1.00 0.00 C ATOM 176 O ILE A 13 9.619 13.344 -7.395 1.00 0.00 O ATOM 177 CB ILE A 13 6.526 13.248 -8.120 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.559 14.269 -6.964 1.00 0.00 C ATOM 179 CG2 ILE A 13 5.178 12.589 -8.246 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.422 15.265 -6.959 1.00 0.00 C ATOM 0 H ILE A 13 7.804 12.202 -5.899 1.00 0.00 H new ATOM 0 HA ILE A 13 7.407 11.389 -8.675 1.00 0.00 H new ATOM 0 HB ILE A 13 6.722 13.806 -9.036 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.550 13.726 -6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.501 14.816 -7.009 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.410 13.352 -8.369 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.175 11.929 -9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.972 12.008 -7.347 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.533 15.939 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.439 15.841 -7.884 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.473 14.734 -6.879 1.00 0.00 H new ATOM 192 N TYR A 14 9.427 12.403 -9.410 1.00 0.00 N ATOM 193 CA TYR A 14 10.657 12.853 -9.967 1.00 0.00 C ATOM 194 C TYR A 14 10.444 14.231 -10.487 1.00 0.00 C ATOM 195 O TYR A 14 9.568 14.450 -11.318 1.00 0.00 O ATOM 196 CB TYR A 14 11.076 11.898 -11.115 1.00 0.00 C ATOM 197 CG TYR A 14 12.076 12.457 -12.111 1.00 0.00 C ATOM 198 CD1 TYR A 14 13.440 12.437 -11.867 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.630 13.001 -13.315 1.00 0.00 C ATOM 200 CE1 TYR A 14 14.328 12.947 -12.796 1.00 0.00 C ATOM 201 CE2 TYR A 14 12.503 13.508 -14.236 1.00 0.00 C ATOM 202 CZ TYR A 14 13.849 13.482 -13.979 1.00 0.00 C ATOM 203 OH TYR A 14 14.724 13.988 -14.907 1.00 0.00 O ATOM 0 H TYR A 14 8.912 11.787 -10.039 1.00 0.00 H new ATOM 0 HA TYR A 14 11.448 12.859 -9.217 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.498 10.995 -10.674 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.180 11.599 -11.658 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.813 12.019 -10.943 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.571 13.022 -13.524 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.390 12.928 -12.599 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.135 13.927 -15.161 1.00 0.00 H new ATOM 0 HH TYR A 14 15.464 14.438 -14.448 1.00 0.00 H new ATOM 213 N ILE A 15 11.182 15.141 -9.973 1.00 0.00 N ATOM 214 CA ILE A 15 11.132 16.487 -10.418 1.00 0.00 C ATOM 215 C ILE A 15 12.443 16.740 -11.116 1.00 0.00 C ATOM 216 O ILE A 15 13.496 16.722 -10.486 1.00 0.00 O ATOM 217 CB ILE A 15 10.986 17.469 -9.240 1.00 0.00 C ATOM 218 CG1 ILE A 15 9.892 16.986 -8.273 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.635 18.854 -9.780 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.824 17.773 -6.983 1.00 0.00 C ATOM 0 H ILE A 15 11.849 14.973 -9.220 1.00 0.00 H new ATOM 0 HA ILE A 15 10.272 16.639 -11.070 1.00 0.00 H new ATOM 0 HB ILE A 15 11.929 17.519 -8.695 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.926 17.044 -8.774 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.066 15.936 -8.038 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.531 19.553 -8.950 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.428 19.197 -10.445 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.696 18.802 -10.331 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.029 17.373 -6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.776 17.694 -6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.618 18.820 -7.206 1.00 0.00 H new ATOM 232 N GLY A 16 12.397 16.915 -12.388 1.00 0.00 N ATOM 233 CA GLY A 16 13.606 17.076 -13.126 1.00 0.00 C ATOM 234 C GLY A 16 13.608 18.312 -13.952 1.00 0.00 C ATOM 235 O GLY A 16 12.555 18.959 -14.109 1.00 0.00 O ATOM 0 H GLY A 16 11.541 16.951 -12.941 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.449 17.103 -12.435 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.751 16.211 -13.772 1.00 0.00 H new ATOM 239 N ASN A 17 14.791 18.643 -14.466 1.00 0.00 N ATOM 240 CA ASN A 17 15.024 19.794 -15.346 1.00 0.00 C ATOM 241 C ASN A 17 14.820 21.097 -14.552 1.00 0.00 C ATOM 242 O ASN A 17 14.281 22.087 -15.043 1.00 0.00 O ATOM 243 CB ASN A 17 14.127 19.696 -16.622 1.00 0.00 C ATOM 244 CG ASN A 17 14.578 20.602 -17.776 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.460 20.239 -18.554 1.00 0.00 O ATOM 246 ND2 ASN A 17 13.951 21.726 -17.943 1.00 0.00 N ATOM 0 H ASN A 17 15.638 18.106 -14.279 1.00 0.00 H new ATOM 0 HA ASN A 17 16.054 19.795 -15.702 1.00 0.00 H new ATOM 0 HB2 ASN A 17 14.118 18.662 -16.968 1.00 0.00 H new ATOM 0 HB3 ASN A 17 13.102 19.951 -16.353 1.00 0.00 H new ATOM 0 HD21 ASN A 17 14.186 22.329 -18.732 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.223 22.007 -17.286 1.00 0.00 H new ATOM 253 N LEU A 18 15.293 21.071 -13.307 1.00 0.00 N ATOM 254 CA LEU A 18 15.229 22.215 -12.407 1.00 0.00 C ATOM 255 C LEU A 18 16.487 23.059 -12.524 1.00 0.00 C ATOM 256 O LEU A 18 17.513 22.611 -13.040 1.00 0.00 O ATOM 257 CB LEU A 18 15.096 21.769 -10.935 1.00 0.00 C ATOM 258 CG LEU A 18 13.778 21.136 -10.490 1.00 0.00 C ATOM 259 CD1 LEU A 18 13.890 20.658 -9.055 1.00 0.00 C ATOM 260 CD2 LEU A 18 12.639 22.130 -10.613 1.00 0.00 C ATOM 0 H LEU A 18 15.734 20.249 -12.894 1.00 0.00 H new ATOM 0 HA LEU A 18 14.352 22.794 -12.696 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.894 21.056 -10.729 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.277 22.640 -10.305 1.00 0.00 H new ATOM 0 HG LEU A 18 13.569 20.285 -11.138 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.946 20.208 -8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.686 19.918 -8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.118 21.504 -8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.710 21.660 -10.291 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.843 22.997 -9.985 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.544 22.448 -11.651 1.00 0.00 H new ATOM 272 N ASN A 19 16.388 24.269 -12.055 1.00 0.00 N ATOM 273 CA ASN A 19 17.505 25.190 -11.970 1.00 0.00 C ATOM 274 C ASN A 19 18.237 24.916 -10.668 1.00 0.00 C ATOM 275 O ASN A 19 17.634 24.405 -9.718 1.00 0.00 O ATOM 276 CB ASN A 19 16.978 26.624 -11.934 1.00 0.00 C ATOM 277 CG ASN A 19 16.355 27.104 -13.201 1.00 0.00 C ATOM 278 OD1 ASN A 19 15.200 26.869 -13.432 1.00 0.00 O ATOM 279 ND2 ASN A 19 17.082 27.852 -13.982 1.00 0.00 N ATOM 0 H ASN A 19 15.511 24.660 -11.711 1.00 0.00 H new ATOM 0 HA ASN A 19 18.165 25.062 -12.828 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.243 26.704 -11.133 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.802 27.290 -11.678 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.673 28.260 -14.823 1.00 0.00 H new ATOM 0 HD22 ASN A 19 18.060 28.029 -13.753 1.00 0.00 H new ATOM 286 N ARG A 20 19.502 25.284 -10.585 1.00 0.00 N ATOM 287 CA ARG A 20 20.268 25.028 -9.370 1.00 0.00 C ATOM 288 C ARG A 20 19.904 26.012 -8.279 1.00 0.00 C ATOM 289 O ARG A 20 20.110 25.755 -7.100 1.00 0.00 O ATOM 290 CB ARG A 20 21.776 25.024 -9.601 1.00 0.00 C ATOM 291 CG ARG A 20 22.240 23.984 -10.593 1.00 0.00 C ATOM 292 CD ARG A 20 23.715 23.673 -10.421 1.00 0.00 C ATOM 293 NE ARG A 20 24.584 24.837 -10.539 1.00 0.00 N ATOM 294 CZ ARG A 20 25.847 24.880 -10.092 1.00 0.00 C ATOM 295 NH1 ARG A 20 26.401 23.803 -9.510 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 26.566 25.985 -10.256 1.00 0.00 N ATOM 0 H ARG A 20 20.018 25.754 -11.329 1.00 0.00 H new ATOM 0 HA ARG A 20 19.996 24.023 -9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.083 26.009 -9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.279 24.854 -8.649 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.657 23.072 -10.465 1.00 0.00 H new ATOM 0 HG3 ARG A 20 22.058 24.340 -11.607 1.00 0.00 H new ATOM 0 HD2 ARG A 20 23.868 23.216 -9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 20 24.010 22.935 -11.167 1.00 0.00 H new ATOM 0 HE ARG A 20 24.208 25.671 -10.990 1.00 0.00 H new ATOM 0 HH11 ARG A 20 25.860 22.945 -9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 20 27.363 23.844 -9.172 1.00 0.00 H new ATOM 0 HH21 ARG A 20 26.157 26.796 -10.720 1.00 0.00 H new ATOM 0 HH22 ARG A 20 27.527 26.023 -9.918 1.00 0.00 H new ATOM 310 N GLU A 21 19.356 27.133 -8.675 1.00 0.00 N ATOM 311 CA GLU A 21 18.887 28.135 -7.737 1.00 0.00 C ATOM 312 C GLU A 21 17.558 27.748 -7.100 1.00 0.00 C ATOM 313 O GLU A 21 17.084 28.411 -6.181 1.00 0.00 O ATOM 314 CB GLU A 21 18.855 29.567 -8.329 1.00 0.00 C ATOM 315 CG GLU A 21 18.481 29.687 -9.805 1.00 0.00 C ATOM 316 CD GLU A 21 19.595 29.244 -10.732 1.00 0.00 C ATOM 317 OE1 GLU A 21 20.566 29.993 -10.905 1.00 0.00 O1- ATOM 318 OE2 GLU A 21 19.541 28.117 -11.253 1.00 0.00 O ATOM 0 H GLU A 21 19.220 27.382 -9.655 1.00 0.00 H new ATOM 0 HA GLU A 21 19.630 28.162 -6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.148 30.160 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 21 19.838 30.016 -8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.592 29.087 -10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.221 30.722 -10.026 1.00 0.00 H new ATOM 325 N LEU A 22 16.969 26.673 -7.579 1.00 0.00 N ATOM 326 CA LEU A 22 15.767 26.170 -6.977 1.00 0.00 C ATOM 327 C LEU A 22 16.159 25.187 -5.880 1.00 0.00 C ATOM 328 O LEU A 22 16.861 24.190 -6.121 1.00 0.00 O ATOM 329 CB LEU A 22 14.860 25.503 -8.027 1.00 0.00 C ATOM 330 CG LEU A 22 14.365 26.416 -9.164 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.597 25.642 -10.192 1.00 0.00 C ATOM 332 CD2 LEU A 22 13.485 27.515 -8.636 1.00 0.00 C ATOM 0 H LEU A 22 17.306 26.138 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 22 15.196 26.992 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.402 24.666 -8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.991 25.087 -7.517 1.00 0.00 H new ATOM 0 HG LEU A 22 15.253 26.849 -9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.262 26.316 -10.980 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.238 24.872 -10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.731 25.174 -9.723 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.151 28.143 -9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.619 27.080 -8.138 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.046 28.120 -7.924 1.00 0.00 H new ATOM 344 N THR A 23 15.775 25.512 -4.692 1.00 0.00 N ATOM 345 CA THR A 23 16.033 24.703 -3.523 1.00 0.00 C ATOM 346 C THR A 23 14.715 24.112 -3.015 1.00 0.00 C ATOM 347 O THR A 23 13.651 24.474 -3.518 1.00 0.00 O ATOM 348 CB THR A 23 16.803 25.544 -2.433 1.00 0.00 C ATOM 349 OG1 THR A 23 16.857 24.904 -1.148 1.00 0.00 O ATOM 350 CG2 THR A 23 16.206 26.911 -2.282 1.00 0.00 C ATOM 0 H THR A 23 15.259 26.368 -4.489 1.00 0.00 H new ATOM 0 HA THR A 23 16.685 23.867 -3.776 1.00 0.00 H new ATOM 0 HB THR A 23 17.826 25.625 -2.800 1.00 0.00 H new ATOM 0 HG1 THR A 23 17.210 23.995 -1.250 1.00 0.00 H new ATOM 0 HG21 THR A 23 16.758 27.467 -1.524 1.00 0.00 H new ATOM 0 HG22 THR A 23 16.263 27.440 -3.233 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.163 26.821 -1.979 1.00 0.00 H new ATOM 358 N GLU A 24 14.794 23.217 -2.035 1.00 0.00 N ATOM 359 CA GLU A 24 13.650 22.508 -1.449 1.00 0.00 C ATOM 360 C GLU A 24 12.525 23.473 -1.095 1.00 0.00 C ATOM 361 O GLU A 24 11.367 23.217 -1.379 1.00 0.00 O ATOM 362 CB GLU A 24 14.037 21.764 -0.155 1.00 0.00 C ATOM 363 CG GLU A 24 15.329 20.966 -0.209 1.00 0.00 C ATOM 364 CD GLU A 24 16.542 21.862 -0.031 1.00 0.00 C ATOM 365 OE1 GLU A 24 16.904 22.182 1.113 1.00 0.00 O ATOM 366 OE2 GLU A 24 17.093 22.322 -1.051 1.00 0.00 O1- ATOM 0 H GLU A 24 15.683 22.953 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 24 13.321 21.795 -2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.117 22.494 0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.225 21.086 0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.320 20.204 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.397 20.445 -1.164 1.00 0.00 H new ATOM 373 N GLY A 25 12.902 24.606 -0.505 1.00 0.00 N ATOM 374 CA GLY A 25 11.930 25.605 -0.078 1.00 0.00 C ATOM 375 C GLY A 25 11.165 26.216 -1.243 1.00 0.00 C ATOM 376 O GLY A 25 9.978 26.577 -1.117 1.00 0.00 O ATOM 0 H GLY A 25 13.873 24.853 -0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.224 25.146 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.444 26.396 0.468 1.00 0.00 H new ATOM 380 N ASP A 26 11.817 26.292 -2.374 1.00 0.00 N ATOM 381 CA ASP A 26 11.219 26.857 -3.572 1.00 0.00 C ATOM 382 C ASP A 26 10.269 25.837 -4.144 1.00 0.00 C ATOM 383 O ASP A 26 9.118 26.131 -4.458 1.00 0.00 O ATOM 384 CB ASP A 26 12.286 27.179 -4.602 1.00 0.00 C ATOM 385 CG ASP A 26 11.723 27.936 -5.759 1.00 0.00 C ATOM 386 OD1 ASP A 26 11.155 27.324 -6.653 1.00 0.00 O ATOM 387 OD2 ASP A 26 11.869 29.179 -5.771 1.00 0.00 O1- ATOM 0 H ASP A 26 12.776 25.967 -2.498 1.00 0.00 H new ATOM 0 HA ASP A 26 10.696 27.779 -3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.079 27.764 -4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.740 26.254 -4.958 1.00 0.00 H new ATOM 392 N ILE A 27 10.757 24.610 -4.196 1.00 0.00 N ATOM 393 CA ILE A 27 9.995 23.461 -4.651 1.00 0.00 C ATOM 394 C ILE A 27 8.723 23.311 -3.798 1.00 0.00 C ATOM 395 O ILE A 27 7.654 22.999 -4.314 1.00 0.00 O ATOM 396 CB ILE A 27 10.877 22.186 -4.570 1.00 0.00 C ATOM 397 CG1 ILE A 27 12.097 22.348 -5.491 1.00 0.00 C ATOM 398 CG2 ILE A 27 10.087 20.939 -4.953 1.00 0.00 C ATOM 399 CD1 ILE A 27 13.197 21.361 -5.224 1.00 0.00 C ATOM 0 H ILE A 27 11.711 24.380 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 27 9.694 23.605 -5.689 1.00 0.00 H new ATOM 0 HB ILE A 27 11.211 22.062 -3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.774 22.245 -6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.493 23.357 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.733 20.064 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.243 20.820 -4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.719 21.041 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 27 14.022 21.540 -5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.549 21.477 -4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.819 20.348 -5.365 1.00 0.00 H new ATOM 411 N LEU A 28 8.846 23.575 -2.499 1.00 0.00 N ATOM 412 CA LEU A 28 7.698 23.580 -1.599 1.00 0.00 C ATOM 413 C LEU A 28 6.705 24.635 -2.026 1.00 0.00 C ATOM 414 O LEU A 28 5.527 24.366 -2.113 1.00 0.00 O ATOM 415 CB LEU A 28 8.109 23.847 -0.152 1.00 0.00 C ATOM 416 CG LEU A 28 8.989 22.807 0.514 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.301 23.224 1.931 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.316 21.449 0.498 1.00 0.00 C ATOM 0 H LEU A 28 9.734 23.789 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 28 7.244 22.590 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.630 24.804 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.203 23.956 0.444 1.00 0.00 H new ATOM 0 HG LEU A 28 9.922 22.732 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.933 22.471 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.822 24.181 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.373 23.321 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.963 20.716 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.369 21.506 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.131 21.147 -0.533 1.00 0.00 H new ATOM 430 N THR A 29 7.207 25.819 -2.327 1.00 0.00 N ATOM 431 CA THR A 29 6.393 26.951 -2.772 1.00 0.00 C ATOM 432 C THR A 29 5.603 26.586 -4.055 1.00 0.00 C ATOM 433 O THR A 29 4.473 27.058 -4.281 1.00 0.00 O ATOM 434 CB THR A 29 7.310 28.177 -3.046 1.00 0.00 C ATOM 435 OG1 THR A 29 8.067 28.494 -1.859 1.00 0.00 O ATOM 436 CG2 THR A 29 6.507 29.404 -3.477 1.00 0.00 C ATOM 0 H THR A 29 8.203 26.031 -2.271 1.00 0.00 H new ATOM 0 HA THR A 29 5.679 27.199 -1.987 1.00 0.00 H new ATOM 0 HB THR A 29 7.982 27.910 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.737 27.797 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.186 30.238 -3.658 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.959 29.177 -4.391 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.803 29.674 -2.689 1.00 0.00 H new ATOM 444 N VAL A 30 6.200 25.761 -4.884 1.00 0.00 N ATOM 445 CA VAL A 30 5.569 25.309 -6.099 1.00 0.00 C ATOM 446 C VAL A 30 4.575 24.159 -5.834 1.00 0.00 C ATOM 447 O VAL A 30 3.409 24.252 -6.174 1.00 0.00 O ATOM 448 CB VAL A 30 6.613 24.894 -7.180 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.928 24.463 -8.463 1.00 0.00 C ATOM 450 CG2 VAL A 30 7.569 26.038 -7.472 1.00 0.00 C ATOM 0 H VAL A 30 7.136 25.385 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 30 5.006 26.157 -6.489 1.00 0.00 H new ATOM 0 HB VAL A 30 7.178 24.050 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.680 24.179 -9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.279 23.611 -8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.332 25.289 -8.853 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.289 25.726 -8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.007 26.897 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.098 26.312 -6.559 1.00 0.00 H new ATOM 460 N PHE A 31 5.032 23.122 -5.175 1.00 0.00 N ATOM 461 CA PHE A 31 4.243 21.903 -4.989 1.00 0.00 C ATOM 462 C PHE A 31 3.174 21.992 -3.908 1.00 0.00 C ATOM 463 O PHE A 31 2.326 21.122 -3.818 1.00 0.00 O ATOM 464 CB PHE A 31 5.142 20.683 -4.793 1.00 0.00 C ATOM 465 CG PHE A 31 5.839 20.253 -6.057 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.803 21.054 -6.647 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.522 19.050 -6.658 1.00 0.00 C ATOM 468 CE1 PHE A 31 7.429 20.676 -7.806 1.00 0.00 C ATOM 469 CE2 PHE A 31 6.154 18.665 -7.820 1.00 0.00 C ATOM 470 CZ PHE A 31 7.106 19.481 -8.393 1.00 0.00 C ATOM 0 H PHE A 31 5.958 23.088 -4.749 1.00 0.00 H new ATOM 0 HA PHE A 31 3.687 21.782 -5.919 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.889 20.908 -4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.543 19.854 -4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.066 21.994 -6.185 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.775 18.408 -6.215 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.173 21.317 -8.255 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.903 17.722 -8.283 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.598 19.178 -9.306 1.00 0.00 H new ATOM 480 N SER A 32 3.181 23.038 -3.121 1.00 0.00 N ATOM 481 CA SER A 32 2.150 23.231 -2.100 1.00 0.00 C ATOM 482 C SER A 32 0.800 23.603 -2.744 1.00 0.00 C ATOM 483 O SER A 32 -0.239 23.644 -2.074 1.00 0.00 O ATOM 484 CB SER A 32 2.606 24.268 -1.084 1.00 0.00 C ATOM 485 OG SER A 32 3.140 25.392 -1.750 1.00 0.00 O ATOM 0 H SER A 32 3.884 23.776 -3.158 1.00 0.00 H new ATOM 0 HA SER A 32 1.998 22.292 -1.568 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.766 24.570 -0.458 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.357 23.836 -0.423 1.00 0.00 H new ATOM 0 HG SER A 32 4.117 25.380 -1.679 1.00 0.00 H new ATOM 491 N GLU A 33 0.865 23.858 -4.052 1.00 0.00 N ATOM 492 CA GLU A 33 -0.251 24.212 -4.910 1.00 0.00 C ATOM 493 C GLU A 33 -1.429 23.235 -4.731 1.00 0.00 C ATOM 494 O GLU A 33 -2.577 23.647 -4.533 1.00 0.00 O ATOM 495 CB GLU A 33 0.245 24.113 -6.361 1.00 0.00 C ATOM 496 CG GLU A 33 -0.692 24.654 -7.414 1.00 0.00 C ATOM 497 CD GLU A 33 -0.812 26.137 -7.337 1.00 0.00 C ATOM 498 OE1 GLU A 33 0.049 26.833 -7.912 1.00 0.00 O1- ATOM 499 OE2 GLU A 33 -1.744 26.628 -6.701 1.00 0.00 O ATOM 0 H GLU A 33 1.748 23.819 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.599 25.214 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.193 24.645 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.447 23.066 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.332 24.369 -8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.677 24.203 -7.291 1.00 0.00 H new ATOM 506 N TYR A 34 -1.131 21.938 -4.764 1.00 0.00 N ATOM 507 CA TYR A 34 -2.184 20.929 -4.767 1.00 0.00 C ATOM 508 C TYR A 34 -2.354 20.258 -3.432 1.00 0.00 C ATOM 509 O TYR A 34 -3.336 19.529 -3.229 1.00 0.00 O ATOM 510 CB TYR A 34 -1.919 19.868 -5.822 1.00 0.00 C ATOM 511 CG TYR A 34 -1.600 20.447 -7.156 1.00 0.00 C ATOM 512 CD1 TYR A 34 -2.553 21.139 -7.890 1.00 0.00 C ATOM 513 CD2 TYR A 34 -0.330 20.342 -7.661 1.00 0.00 C ATOM 514 CE1 TYR A 34 -2.231 21.704 -9.102 1.00 0.00 C ATOM 515 CE2 TYR A 34 0.001 20.902 -8.849 1.00 0.00 C ATOM 516 CZ TYR A 34 -0.947 21.584 -9.575 1.00 0.00 C ATOM 517 OH TYR A 34 -0.602 22.163 -10.764 1.00 0.00 O ATOM 0 H TYR A 34 -0.182 21.566 -4.789 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.107 21.462 -4.997 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.091 19.238 -5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.794 19.224 -5.910 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.558 21.235 -7.506 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.420 19.803 -7.101 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.978 22.235 -9.674 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.009 20.813 -9.226 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.224 23.052 -10.598 1.00 0.00 H new ATOM 527 N GLY A 35 -1.446 20.489 -2.534 1.00 0.00 N ATOM 528 CA GLY A 35 -1.532 19.848 -1.262 1.00 0.00 C ATOM 529 C GLY A 35 -0.339 20.120 -0.417 1.00 0.00 C ATOM 530 O GLY A 35 0.420 21.053 -0.692 1.00 0.00 O ATOM 0 H GLY A 35 -0.646 21.110 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.428 20.190 -0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.637 18.773 -1.405 1.00 0.00 H new ATOM 534 N VAL A 36 -0.152 19.312 0.586 1.00 0.00 N ATOM 535 CA VAL A 36 0.931 19.483 1.513 1.00 0.00 C ATOM 536 C VAL A 36 2.093 18.576 1.115 1.00 0.00 C ATOM 537 O VAL A 36 1.921 17.349 1.015 1.00 0.00 O ATOM 538 CB VAL A 36 0.489 19.128 2.963 1.00 0.00 C ATOM 539 CG1 VAL A 36 1.605 19.408 3.965 1.00 0.00 C ATOM 540 CG2 VAL A 36 -0.780 19.880 3.347 1.00 0.00 C ATOM 0 H VAL A 36 -0.750 18.510 0.786 1.00 0.00 H new ATOM 0 HA VAL A 36 1.239 20.528 1.485 1.00 0.00 H new ATOM 0 HB VAL A 36 0.273 18.060 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.266 19.150 4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.480 18.809 3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.867 20.465 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.067 19.614 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.598 20.953 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.584 19.611 2.661 1.00 0.00 H new ATOM 550 N PRO A 37 3.266 19.155 0.810 1.00 0.00 N ATOM 551 CA PRO A 37 4.466 18.382 0.550 1.00 0.00 C ATOM 552 C PRO A 37 4.956 17.742 1.846 1.00 0.00 C ATOM 553 O PRO A 37 5.452 18.419 2.747 1.00 0.00 O ATOM 554 CB PRO A 37 5.476 19.412 0.027 1.00 0.00 C ATOM 555 CG PRO A 37 4.674 20.634 -0.270 1.00 0.00 C ATOM 556 CD PRO A 37 3.511 20.593 0.669 1.00 0.00 C ATOM 0 HA PRO A 37 4.309 17.571 -0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.247 19.618 0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.983 19.047 -0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.266 21.537 -0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.340 20.640 -1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.745 21.060 1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.644 21.114 0.264 1.00 0.00 H new ATOM 564 N VAL A 38 4.775 16.456 1.927 1.00 0.00 N ATOM 565 CA VAL A 38 5.050 15.689 3.121 1.00 0.00 C ATOM 566 C VAL A 38 6.511 15.312 3.243 1.00 0.00 C ATOM 567 O VAL A 38 7.088 15.308 4.345 1.00 0.00 O ATOM 568 CB VAL A 38 4.134 14.439 3.136 1.00 0.00 C ATOM 569 CG1 VAL A 38 4.588 13.377 4.116 1.00 0.00 C ATOM 570 CG2 VAL A 38 2.732 14.869 3.471 1.00 0.00 C ATOM 0 H VAL A 38 4.425 15.893 1.152 1.00 0.00 H new ATOM 0 HA VAL A 38 4.833 16.309 3.990 1.00 0.00 H new ATOM 0 HB VAL A 38 4.182 13.988 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.904 12.529 4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.592 13.045 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.595 13.791 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.078 13.997 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.722 15.346 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.379 15.576 2.720 1.00 0.00 H new ATOM 580 N ASP A 39 7.106 15.016 2.137 1.00 0.00 N ATOM 581 CA ASP A 39 8.478 14.603 2.113 1.00 0.00 C ATOM 582 C ASP A 39 9.053 15.045 0.792 1.00 0.00 C ATOM 583 O ASP A 39 8.457 14.797 -0.260 1.00 0.00 O ATOM 584 CB ASP A 39 8.526 13.079 2.296 1.00 0.00 C ATOM 585 CG ASP A 39 9.896 12.470 2.410 1.00 0.00 C ATOM 586 OD1 ASP A 39 10.395 12.332 3.562 1.00 0.00 O ATOM 587 OD2 ASP A 39 10.439 12.017 1.402 1.00 0.00 O1- ATOM 0 H ASP A 39 6.659 15.052 1.221 1.00 0.00 H new ATOM 0 HA ASP A 39 9.068 15.048 2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.961 12.823 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.014 12.616 1.453 1.00 0.00 H new ATOM 592 N VAL A 40 10.133 15.774 0.843 1.00 0.00 N ATOM 593 CA VAL A 40 10.769 16.299 -0.336 1.00 0.00 C ATOM 594 C VAL A 40 12.254 16.242 -0.140 1.00 0.00 C ATOM 595 O VAL A 40 12.739 16.399 0.972 1.00 0.00 O ATOM 596 CB VAL A 40 10.328 17.779 -0.674 1.00 0.00 C ATOM 597 CG1 VAL A 40 10.668 18.747 0.446 1.00 0.00 C ATOM 598 CG2 VAL A 40 10.937 18.267 -1.989 1.00 0.00 C ATOM 0 H VAL A 40 10.603 16.024 1.713 1.00 0.00 H new ATOM 0 HA VAL A 40 10.459 15.686 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 40 9.244 17.755 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.347 19.751 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.157 18.441 1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.745 18.744 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.609 19.288 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.024 18.242 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.612 17.619 -2.803 1.00 0.00 H new ATOM 608 N ILE A 41 12.948 15.976 -1.190 1.00 0.00 N ATOM 609 CA ILE A 41 14.375 15.907 -1.183 1.00 0.00 C ATOM 610 C ILE A 41 14.911 16.439 -2.480 1.00 0.00 C ATOM 611 O ILE A 41 14.479 16.025 -3.564 1.00 0.00 O ATOM 612 CB ILE A 41 14.961 14.471 -0.903 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.355 13.351 -1.798 1.00 0.00 C ATOM 614 CG2 ILE A 41 14.846 14.108 0.559 1.00 0.00 C ATOM 615 CD1 ILE A 41 12.930 12.928 -1.442 1.00 0.00 C ATOM 0 H ILE A 41 12.532 15.795 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 41 14.702 16.523 -0.345 1.00 0.00 H new ATOM 0 HB ILE A 41 16.015 14.532 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.367 13.690 -2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.001 12.475 -1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.259 13.112 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.399 14.831 1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.797 14.118 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.602 12.144 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.907 12.552 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.263 13.786 -1.528 1.00 0.00 H new ATOM 627 N LEU A 42 15.801 17.371 -2.386 1.00 0.00 N ATOM 628 CA LEU A 42 16.411 17.940 -3.542 1.00 0.00 C ATOM 629 C LEU A 42 17.698 17.186 -3.764 1.00 0.00 C ATOM 630 O LEU A 42 18.523 17.067 -2.847 1.00 0.00 O ATOM 631 CB LEU A 42 16.612 19.475 -3.327 1.00 0.00 C ATOM 632 CG LEU A 42 17.209 20.351 -4.469 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.678 20.128 -4.640 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.498 20.105 -5.776 1.00 0.00 C ATOM 0 H LEU A 42 16.127 17.761 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 42 15.793 17.847 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.640 19.896 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.254 19.599 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 42 17.057 21.389 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.050 20.759 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.195 20.380 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.861 19.082 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.938 20.731 -6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.600 19.056 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.442 20.350 -5.667 1.00 0.00 H new ATOM 646 N SER A 43 17.865 16.653 -4.946 1.00 0.00 N ATOM 647 CA SER A 43 19.018 15.879 -5.239 1.00 0.00 C ATOM 648 C SER A 43 20.190 16.811 -5.478 1.00 0.00 C ATOM 649 O SER A 43 20.326 17.451 -6.534 1.00 0.00 O ATOM 650 CB SER A 43 18.774 14.940 -6.427 1.00 0.00 C ATOM 651 OG SER A 43 19.842 14.028 -6.594 1.00 0.00 O ATOM 0 H SER A 43 17.206 16.748 -5.719 1.00 0.00 H new ATOM 0 HA SER A 43 19.251 15.237 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.845 14.390 -6.273 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.650 15.527 -7.337 1.00 0.00 H new ATOM 0 HG SER A 43 19.656 13.443 -7.358 1.00 0.00 H new ATOM 657 N ARG A 44 20.947 16.973 -4.451 1.00 0.00 N ATOM 658 CA ARG A 44 22.122 17.761 -4.467 1.00 0.00 C ATOM 659 C ARG A 44 23.293 16.889 -4.099 1.00 0.00 C ATOM 660 O ARG A 44 23.112 15.830 -3.486 1.00 0.00 O ATOM 661 CB ARG A 44 21.993 18.983 -3.529 1.00 0.00 C ATOM 662 CG ARG A 44 21.489 18.668 -2.131 1.00 0.00 C ATOM 663 CD ARG A 44 21.521 19.895 -1.222 1.00 0.00 C ATOM 664 NE ARG A 44 20.750 21.032 -1.727 1.00 0.00 N ATOM 665 CZ ARG A 44 20.513 22.155 -1.026 1.00 0.00 C ATOM 666 NH1 ARG A 44 20.930 22.267 0.234 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 19.854 23.158 -1.587 1.00 0.00 N ATOM 0 H ARG A 44 20.756 16.544 -3.546 1.00 0.00 H new ATOM 0 HA ARG A 44 22.280 18.162 -5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.968 19.464 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 44 21.318 19.705 -3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.469 18.287 -2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 44 22.100 17.877 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 44 21.138 19.617 -0.240 1.00 0.00 H new ATOM 0 HD3 ARG A 44 22.557 20.205 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 44 20.368 20.969 -2.671 1.00 0.00 H new ATOM 0 HH11 ARG A 44 21.434 21.497 0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 44 20.746 23.122 0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.527 23.078 -2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.674 24.010 -1.056 1.00 0.00 H new ATOM 681 N ASP A 45 24.469 17.290 -4.517 1.00 0.00 N ATOM 682 CA ASP A 45 25.702 16.547 -4.237 1.00 0.00 C ATOM 683 C ASP A 45 25.972 16.463 -2.737 1.00 0.00 C ATOM 684 O ASP A 45 25.670 17.387 -2.003 1.00 0.00 O ATOM 685 CB ASP A 45 26.892 17.180 -4.961 1.00 0.00 C ATOM 686 CG ASP A 45 28.209 16.544 -4.579 1.00 0.00 C ATOM 687 OD1 ASP A 45 28.450 15.378 -4.917 1.00 0.00 O1- ATOM 688 OD2 ASP A 45 28.995 17.189 -3.887 1.00 0.00 O ATOM 0 H ASP A 45 24.612 18.140 -5.062 1.00 0.00 H new ATOM 0 HA ASP A 45 25.568 15.532 -4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.748 17.090 -6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 45 26.927 18.245 -4.732 1.00 0.00 H new ATOM 693 N GLU A 46 26.549 15.368 -2.307 1.00 0.00 N ATOM 694 CA GLU A 46 26.804 15.115 -0.899 1.00 0.00 C ATOM 695 C GLU A 46 28.022 15.899 -0.374 1.00 0.00 C ATOM 696 O GLU A 46 28.126 16.185 0.822 1.00 0.00 O ATOM 697 CB GLU A 46 27.014 13.612 -0.696 1.00 0.00 C ATOM 698 CG GLU A 46 27.271 13.174 0.736 1.00 0.00 C ATOM 699 CD GLU A 46 27.625 11.719 0.822 1.00 0.00 C ATOM 700 OE1 GLU A 46 28.796 11.366 0.542 1.00 0.00 O ATOM 701 OE2 GLU A 46 26.761 10.900 1.174 1.00 0.00 O1- ATOM 0 H GLU A 46 26.860 14.618 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 46 25.940 15.458 -0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.133 13.087 -1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 46 27.856 13.294 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 46 28.080 13.770 1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.384 13.368 1.339 1.00 0.00 H new ATOM 708 N ASN A 47 28.898 16.276 -1.263 1.00 0.00 N ATOM 709 CA ASN A 47 30.165 16.859 -0.871 1.00 0.00 C ATOM 710 C ASN A 47 30.114 18.370 -0.844 1.00 0.00 C ATOM 711 O ASN A 47 30.526 18.998 0.130 1.00 0.00 O ATOM 712 CB ASN A 47 31.281 16.406 -1.815 1.00 0.00 C ATOM 713 CG ASN A 47 31.428 14.900 -1.890 1.00 0.00 C ATOM 714 OD1 ASN A 47 32.110 14.290 -1.064 1.00 0.00 O ATOM 715 ND2 ASN A 47 30.817 14.289 -2.887 1.00 0.00 N ATOM 0 H ASN A 47 28.763 16.192 -2.271 1.00 0.00 H new ATOM 0 HA ASN A 47 30.373 16.509 0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 47 31.083 16.795 -2.814 1.00 0.00 H new ATOM 0 HB3 ASN A 47 32.225 16.840 -1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 47 30.901 13.278 -2.994 1.00 0.00 H new ATOM 0 HD22 ASN A 47 30.261 14.828 -3.551 1.00 0.00 H new ATOM 722 N THR A 48 29.642 18.955 -1.911 1.00 0.00 N ATOM 723 CA THR A 48 29.586 20.396 -2.006 1.00 0.00 C ATOM 724 C THR A 48 28.149 20.894 -1.803 1.00 0.00 C ATOM 725 O THR A 48 27.917 22.057 -1.443 1.00 0.00 O ATOM 726 CB THR A 48 30.200 20.903 -3.358 1.00 0.00 C ATOM 727 OG1 THR A 48 30.135 22.330 -3.470 1.00 0.00 O ATOM 728 CG2 THR A 48 29.516 20.270 -4.548 1.00 0.00 C ATOM 0 H THR A 48 29.289 18.459 -2.730 1.00 0.00 H new ATOM 0 HA THR A 48 30.196 20.817 -1.207 1.00 0.00 H new ATOM 0 HB THR A 48 31.248 20.604 -3.354 1.00 0.00 H new ATOM 0 HG1 THR A 48 30.528 22.609 -4.323 1.00 0.00 H new ATOM 0 HG21 THR A 48 29.966 20.644 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.632 19.187 -4.501 1.00 0.00 H new ATOM 0 HG23 THR A 48 28.456 20.522 -4.535 1.00 0.00 H new ATOM 736 N GLY A 49 27.194 19.998 -1.986 1.00 0.00 N ATOM 737 CA GLY A 49 25.801 20.343 -1.810 1.00 0.00 C ATOM 738 C GLY A 49 25.219 21.074 -2.993 1.00 0.00 C ATOM 739 O GLY A 49 24.230 21.788 -2.855 1.00 0.00 O ATOM 0 H GLY A 49 27.361 19.029 -2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.227 19.433 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.696 20.963 -0.920 1.00 0.00 H new ATOM 743 N GLU A 50 25.809 20.898 -4.160 1.00 0.00 N ATOM 744 CA GLU A 50 25.327 21.591 -5.342 1.00 0.00 C ATOM 745 C GLU A 50 24.111 20.887 -5.909 1.00 0.00 C ATOM 746 O GLU A 50 24.031 19.659 -5.874 1.00 0.00 O ATOM 747 CB GLU A 50 26.459 21.810 -6.382 1.00 0.00 C ATOM 748 CG GLU A 50 27.054 20.569 -7.062 1.00 0.00 C ATOM 749 CD GLU A 50 26.264 20.110 -8.278 1.00 0.00 C ATOM 750 OE1 GLU A 50 26.094 20.931 -9.223 1.00 0.00 O ATOM 751 OE2 GLU A 50 25.870 18.923 -8.352 1.00 0.00 O1- ATOM 0 H GLU A 50 26.613 20.289 -4.316 1.00 0.00 H new ATOM 0 HA GLU A 50 25.004 22.592 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 50 26.075 22.468 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 50 27.271 22.343 -5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 50 28.079 20.785 -7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 50 27.100 19.755 -6.339 1.00 0.00 H new ATOM 758 N SER A 51 23.162 21.656 -6.372 1.00 0.00 N ATOM 759 CA SER A 51 21.929 21.131 -6.886 1.00 0.00 C ATOM 760 C SER A 51 22.175 20.455 -8.218 1.00 0.00 C ATOM 761 O SER A 51 22.780 21.033 -9.119 1.00 0.00 O ATOM 762 CB SER A 51 20.904 22.258 -7.041 1.00 0.00 C ATOM 763 OG SER A 51 19.641 21.766 -7.485 1.00 0.00 O ATOM 0 H SER A 51 23.225 22.674 -6.403 1.00 0.00 H new ATOM 0 HA SER A 51 21.533 20.395 -6.186 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.780 22.770 -6.087 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.278 22.995 -7.752 1.00 0.00 H new ATOM 0 HG SER A 51 19.011 22.512 -7.571 1.00 0.00 H new ATOM 769 N GLN A 52 21.718 19.238 -8.348 1.00 0.00 N ATOM 770 CA GLN A 52 21.901 18.512 -9.576 1.00 0.00 C ATOM 771 C GLN A 52 20.801 18.871 -10.574 1.00 0.00 C ATOM 772 O GLN A 52 20.903 18.567 -11.769 1.00 0.00 O ATOM 773 CB GLN A 52 21.959 17.008 -9.305 1.00 0.00 C ATOM 774 CG GLN A 52 23.092 16.619 -8.352 1.00 0.00 C ATOM 775 CD GLN A 52 23.157 15.137 -8.065 1.00 0.00 C ATOM 776 OE1 GLN A 52 22.789 14.308 -8.897 1.00 0.00 O ATOM 777 NE2 GLN A 52 23.627 14.786 -6.896 1.00 0.00 N ATOM 0 H GLN A 52 21.217 18.729 -7.620 1.00 0.00 H new ATOM 0 HA GLN A 52 22.854 18.799 -10.021 1.00 0.00 H new ATOM 0 HB2 GLN A 52 21.008 16.683 -8.883 1.00 0.00 H new ATOM 0 HB3 GLN A 52 22.087 16.478 -10.249 1.00 0.00 H new ATOM 0 HG2 GLN A 52 24.042 16.940 -8.780 1.00 0.00 H new ATOM 0 HG3 GLN A 52 22.967 17.158 -7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 52 23.923 15.500 -6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 52 23.697 13.799 -6.650 1.00 0.00 H new ATOM 786 N GLY A 53 19.778 19.571 -10.085 1.00 0.00 N ATOM 787 CA GLY A 53 18.668 19.973 -10.930 1.00 0.00 C ATOM 788 C GLY A 53 17.575 18.933 -10.971 1.00 0.00 C ATOM 789 O GLY A 53 16.733 18.925 -11.882 1.00 0.00 O ATOM 0 H GLY A 53 19.700 19.867 -9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.258 20.914 -10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.031 20.155 -11.941 1.00 0.00 H new ATOM 793 N PHE A 54 17.588 18.052 -9.992 1.00 0.00 N ATOM 794 CA PHE A 54 16.616 16.990 -9.885 1.00 0.00 C ATOM 795 C PHE A 54 16.180 16.899 -8.436 1.00 0.00 C ATOM 796 O PHE A 54 16.962 17.211 -7.541 1.00 0.00 O ATOM 797 CB PHE A 54 17.221 15.641 -10.337 1.00 0.00 C ATOM 798 CG PHE A 54 17.766 15.649 -11.744 1.00 0.00 C ATOM 799 CD1 PHE A 54 16.917 15.575 -12.830 1.00 0.00 C ATOM 800 CD2 PHE A 54 19.129 15.753 -11.974 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.412 15.603 -14.120 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.630 15.782 -13.261 1.00 0.00 C ATOM 803 CZ PHE A 54 18.769 15.706 -14.334 1.00 0.00 C ATOM 0 H PHE A 54 18.281 18.055 -9.243 1.00 0.00 H new ATOM 0 HA PHE A 54 15.765 17.206 -10.531 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.022 15.366 -9.651 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.456 14.868 -10.260 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.852 15.494 -12.669 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.808 15.812 -11.136 1.00 0.00 H new ATOM 0 HE1 PHE A 54 16.735 15.544 -14.960 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.694 15.864 -13.426 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.157 15.727 -15.342 1.00 0.00 H new ATOM 813 N ALA A 55 14.959 16.519 -8.207 1.00 0.00 N ATOM 814 CA ALA A 55 14.427 16.383 -6.872 1.00 0.00 C ATOM 815 C ALA A 55 13.381 15.293 -6.845 1.00 0.00 C ATOM 816 O ALA A 55 12.979 14.787 -7.896 1.00 0.00 O ATOM 817 CB ALA A 55 13.817 17.699 -6.404 1.00 0.00 C ATOM 0 H ALA A 55 14.292 16.291 -8.945 1.00 0.00 H new ATOM 0 HA ALA A 55 15.241 16.117 -6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.421 17.578 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.583 18.475 -6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.011 17.987 -7.079 1.00 0.00 H new ATOM 823 N TYR A 56 12.965 14.923 -5.664 1.00 0.00 N ATOM 824 CA TYR A 56 11.920 13.950 -5.468 1.00 0.00 C ATOM 825 C TYR A 56 10.999 14.504 -4.400 1.00 0.00 C ATOM 826 O TYR A 56 11.469 15.190 -3.487 1.00 0.00 O ATOM 827 CB TYR A 56 12.489 12.600 -4.989 1.00 0.00 C ATOM 828 CG TYR A 56 13.571 11.994 -5.862 1.00 0.00 C ATOM 829 CD1 TYR A 56 13.253 11.266 -6.995 1.00 0.00 C ATOM 830 CD2 TYR A 56 14.916 12.148 -5.536 1.00 0.00 C ATOM 831 CE1 TYR A 56 14.241 10.705 -7.784 1.00 0.00 C ATOM 832 CE2 TYR A 56 15.907 11.592 -6.315 1.00 0.00 C ATOM 833 CZ TYR A 56 15.566 10.873 -7.437 1.00 0.00 C ATOM 834 OH TYR A 56 16.558 10.310 -8.213 1.00 0.00 O ATOM 0 H TYR A 56 13.348 15.295 -4.795 1.00 0.00 H new ATOM 0 HA TYR A 56 11.400 13.774 -6.409 1.00 0.00 H new ATOM 0 HB2 TYR A 56 12.890 12.732 -3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.668 11.887 -4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.216 11.134 -7.268 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.187 12.713 -4.657 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.977 10.139 -8.665 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.945 11.720 -6.046 1.00 0.00 H new ATOM 0 HH TYR A 56 17.434 10.524 -7.830 1.00 0.00 H new ATOM 844 N LEU A 57 9.722 14.265 -4.515 1.00 0.00 N ATOM 845 CA LEU A 57 8.776 14.761 -3.533 1.00 0.00 C ATOM 846 C LEU A 57 7.616 13.780 -3.423 1.00 0.00 C ATOM 847 O LEU A 57 7.415 12.967 -4.313 1.00 0.00 O ATOM 848 CB LEU A 57 8.306 16.183 -3.973 1.00 0.00 C ATOM 849 CG LEU A 57 7.469 17.043 -2.993 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.630 18.504 -3.348 1.00 0.00 C ATOM 851 CD2 LEU A 57 5.997 16.702 -3.077 1.00 0.00 C ATOM 0 H LEU A 57 9.304 13.730 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 57 9.233 14.844 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.196 16.756 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.723 16.067 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 57 7.826 16.840 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.042 19.112 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.681 18.783 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.283 18.671 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.439 17.323 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.638 16.885 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.852 15.652 -2.825 1.00 0.00 H new ATOM 863 N LYS A 58 6.926 13.807 -2.310 1.00 0.00 N ATOM 864 CA LYS A 58 5.716 13.038 -2.115 1.00 0.00 C ATOM 865 C LYS A 58 4.753 13.816 -1.235 1.00 0.00 C ATOM 866 O LYS A 58 5.163 14.484 -0.260 1.00 0.00 O ATOM 867 CB LYS A 58 5.993 11.653 -1.499 1.00 0.00 C ATOM 868 CG LYS A 58 6.792 11.709 -0.227 1.00 0.00 C ATOM 869 CD LYS A 58 7.022 10.343 0.400 1.00 0.00 C ATOM 870 CE LYS A 58 5.752 9.721 0.948 1.00 0.00 C ATOM 871 NZ LYS A 58 6.041 8.444 1.637 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.190 14.370 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 58 5.272 12.870 -3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.043 11.157 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.526 11.041 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.756 12.174 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.276 12.348 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.455 9.675 -0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.751 10.437 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.274 10.413 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.047 9.548 0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.156 8.039 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.475 7.778 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.695 8.616 2.427 1.00 0.00 H new ATOM 885 N TYR A 59 3.513 13.806 -1.623 1.00 0.00 N ATOM 886 CA TYR A 59 2.452 14.391 -0.834 1.00 0.00 C ATOM 887 C TYR A 59 1.940 13.363 0.160 1.00 0.00 C ATOM 888 O TYR A 59 2.440 12.229 0.210 1.00 0.00 O ATOM 889 CB TYR A 59 1.287 14.831 -1.722 1.00 0.00 C ATOM 890 CG TYR A 59 1.582 15.938 -2.703 1.00 0.00 C ATOM 891 CD1 TYR A 59 2.256 15.691 -3.892 1.00 0.00 C ATOM 892 CD2 TYR A 59 1.139 17.222 -2.461 1.00 0.00 C ATOM 893 CE1 TYR A 59 2.476 16.695 -4.807 1.00 0.00 C ATOM 894 CE2 TYR A 59 1.361 18.230 -3.364 1.00 0.00 C ATOM 895 CZ TYR A 59 2.026 17.963 -4.537 1.00 0.00 C ATOM 896 OH TYR A 59 2.226 18.969 -5.444 1.00 0.00 O ATOM 0 H TYR A 59 3.199 13.391 -2.500 1.00 0.00 H new ATOM 0 HA TYR A 59 2.853 15.262 -0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.934 13.964 -2.280 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.467 15.152 -1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.614 14.694 -4.102 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.609 17.437 -1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.998 16.487 -5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.014 19.231 -3.154 1.00 0.00 H new ATOM 0 HH TYR A 59 2.290 19.826 -4.973 1.00 0.00 H new ATOM 906 N GLU A 60 0.962 13.765 0.947 1.00 0.00 N ATOM 907 CA GLU A 60 0.320 12.891 1.914 1.00 0.00 C ATOM 908 C GLU A 60 -0.521 11.896 1.136 1.00 0.00 C ATOM 909 O GLU A 60 -0.357 10.675 1.249 1.00 0.00 O ATOM 910 CB GLU A 60 -0.597 13.733 2.813 1.00 0.00 C ATOM 911 CG GLU A 60 -0.669 13.301 4.269 1.00 0.00 C ATOM 912 CD GLU A 60 -1.068 11.862 4.487 1.00 0.00 C ATOM 913 OE1 GLU A 60 -2.286 11.575 4.606 1.00 0.00 O ATOM 914 OE2 GLU A 60 -0.177 11.005 4.588 1.00 0.00 O1- ATOM 0 H GLU A 60 0.586 14.713 0.935 1.00 0.00 H new ATOM 0 HA GLU A 60 1.058 12.377 2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.260 14.769 2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.604 13.711 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.305 13.466 4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.381 13.943 4.788 1.00 0.00 H new ATOM 921 N ASP A 61 -1.414 12.434 0.342 1.00 0.00 N ATOM 922 CA ASP A 61 -2.255 11.621 -0.505 1.00 0.00 C ATOM 923 C ASP A 61 -1.669 11.556 -1.910 1.00 0.00 C ATOM 924 O ASP A 61 -1.314 12.589 -2.513 1.00 0.00 O ATOM 925 CB ASP A 61 -3.691 12.144 -0.554 1.00 0.00 C ATOM 926 CG ASP A 61 -4.612 11.184 -1.277 1.00 0.00 C ATOM 927 OD1 ASP A 61 -4.646 11.188 -2.516 1.00 0.00 O ATOM 928 OD2 ASP A 61 -5.305 10.387 -0.605 1.00 0.00 O1- ATOM 0 H ASP A 61 -1.578 13.438 0.264 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.287 10.619 -0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.055 12.303 0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.709 13.112 -1.054 1.00 0.00 H new ATOM 933 N GLN A 62 -1.602 10.358 -2.431 1.00 0.00 N ATOM 934 CA GLN A 62 -1.007 10.053 -3.719 1.00 0.00 C ATOM 935 C GLN A 62 -1.776 10.684 -4.905 1.00 0.00 C ATOM 936 O GLN A 62 -1.223 10.864 -5.984 1.00 0.00 O ATOM 937 CB GLN A 62 -0.887 8.534 -3.853 1.00 0.00 C ATOM 938 CG GLN A 62 -0.265 8.028 -5.137 1.00 0.00 C ATOM 939 CD GLN A 62 -0.085 6.528 -5.116 1.00 0.00 C ATOM 940 OE1 GLN A 62 -0.836 5.799 -4.451 1.00 0.00 O ATOM 941 NE2 GLN A 62 0.880 6.050 -5.839 1.00 0.00 N ATOM 0 H GLN A 62 -1.972 9.534 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.015 10.502 -3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.298 8.161 -3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.883 8.101 -3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.895 8.307 -5.982 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.702 8.509 -5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.478 6.681 -6.373 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.041 5.043 -5.874 1.00 0.00 H new ATOM 950 N ARG A 63 -3.021 11.070 -4.701 1.00 0.00 N ATOM 951 CA ARG A 63 -3.775 11.707 -5.776 1.00 0.00 C ATOM 952 C ARG A 63 -3.315 13.142 -5.994 1.00 0.00 C ATOM 953 O ARG A 63 -3.466 13.699 -7.084 1.00 0.00 O ATOM 954 CB ARG A 63 -5.298 11.637 -5.566 1.00 0.00 C ATOM 955 CG ARG A 63 -5.970 10.335 -6.031 1.00 0.00 C ATOM 956 CD ARG A 63 -5.473 9.094 -5.301 1.00 0.00 C ATOM 957 NE ARG A 63 -5.747 9.147 -3.862 1.00 0.00 N ATOM 958 CZ ARG A 63 -6.356 8.185 -3.153 1.00 0.00 C ATOM 959 NH1 ARG A 63 -6.838 7.092 -3.754 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -6.495 8.332 -1.850 1.00 0.00 N ATOM 0 H ARG A 63 -3.528 10.959 -3.823 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.563 11.136 -6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.508 11.775 -4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.759 12.472 -6.094 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.047 10.422 -5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.798 10.210 -7.100 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.948 8.210 -5.727 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.400 8.987 -5.460 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.450 9.983 -3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.745 6.982 -4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.299 6.368 -3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.141 9.171 -1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.957 7.607 -1.301 1.00 0.00 H new ATOM 974 N SER A 64 -2.675 13.709 -4.991 1.00 0.00 N ATOM 975 CA SER A 64 -2.202 15.069 -5.094 1.00 0.00 C ATOM 976 C SER A 64 -0.855 15.012 -5.814 1.00 0.00 C ATOM 977 O SER A 64 -0.464 15.917 -6.551 1.00 0.00 O ATOM 978 CB SER A 64 -2.096 15.708 -3.698 1.00 0.00 C ATOM 979 OG SER A 64 -1.816 17.091 -3.772 1.00 0.00 O ATOM 0 H SER A 64 -2.473 13.251 -4.102 1.00 0.00 H new ATOM 0 HA SER A 64 -2.893 15.696 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.030 15.555 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.312 15.209 -3.129 1.00 0.00 H new ATOM 0 HG SER A 64 -0.909 17.259 -3.441 1.00 0.00 H new ATOM 985 N THR A 65 -0.198 13.891 -5.617 1.00 0.00 N ATOM 986 CA THR A 65 0.994 13.521 -6.312 1.00 0.00 C ATOM 987 C THR A 65 0.705 13.465 -7.844 1.00 0.00 C ATOM 988 O THR A 65 1.481 13.980 -8.669 1.00 0.00 O ATOM 989 CB THR A 65 1.441 12.148 -5.745 1.00 0.00 C ATOM 990 OG1 THR A 65 2.030 12.279 -4.436 1.00 0.00 O ATOM 991 CG2 THR A 65 2.332 11.390 -6.660 1.00 0.00 C ATOM 0 H THR A 65 -0.499 13.191 -4.939 1.00 0.00 H new ATOM 0 HA THR A 65 1.795 14.246 -6.170 1.00 0.00 H new ATOM 0 HB THR A 65 0.529 11.559 -5.652 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.835 11.723 -4.383 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.605 10.441 -6.199 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.813 11.201 -7.600 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.233 11.971 -6.854 1.00 0.00 H new ATOM 999 N ILE A 66 -0.450 12.898 -8.195 1.00 0.00 N ATOM 1000 CA ILE A 66 -0.894 12.813 -9.583 1.00 0.00 C ATOM 1001 C ILE A 66 -1.172 14.227 -10.132 1.00 0.00 C ATOM 1002 O ILE A 66 -0.881 14.541 -11.298 1.00 0.00 O ATOM 1003 CB ILE A 66 -2.173 11.929 -9.709 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -1.891 10.524 -9.151 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.635 11.843 -11.167 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -3.094 9.605 -9.123 1.00 0.00 C ATOM 0 H ILE A 66 -1.101 12.487 -7.526 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.101 12.348 -10.169 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.973 12.389 -9.129 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.109 10.059 -9.751 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.500 10.621 -8.138 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.528 11.221 -11.230 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.862 12.843 -11.536 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.844 11.403 -11.774 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.803 8.637 -8.715 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.872 10.043 -8.498 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.474 9.472 -10.136 1.00 0.00 H new ATOM 1018 N LEU A 67 -1.711 15.080 -9.280 1.00 0.00 N ATOM 1019 CA LEU A 67 -1.984 16.465 -9.656 1.00 0.00 C ATOM 1020 C LEU A 67 -0.703 17.182 -10.059 1.00 0.00 C ATOM 1021 O LEU A 67 -0.684 17.940 -11.024 1.00 0.00 O ATOM 1022 CB LEU A 67 -2.688 17.214 -8.522 1.00 0.00 C ATOM 1023 CG LEU A 67 -4.022 16.630 -8.085 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -4.658 17.462 -6.977 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -4.951 16.507 -9.270 1.00 0.00 C ATOM 0 H LEU A 67 -1.970 14.843 -8.322 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.652 16.451 -10.518 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.022 17.241 -7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.847 18.246 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.840 15.634 -7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.610 17.017 -6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.993 17.488 -6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.826 18.477 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.903 16.088 -8.944 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.119 17.492 -9.705 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.503 15.852 -10.017 1.00 0.00 H new ATOM 1037 N ALA A 68 0.363 16.910 -9.343 1.00 0.00 N ATOM 1038 CA ALA A 68 1.643 17.503 -9.646 1.00 0.00 C ATOM 1039 C ALA A 68 2.174 17.015 -10.998 1.00 0.00 C ATOM 1040 O ALA A 68 2.609 17.827 -11.827 1.00 0.00 O ATOM 1041 CB ALA A 68 2.637 17.216 -8.541 1.00 0.00 C ATOM 0 H ALA A 68 0.368 16.278 -8.542 1.00 0.00 H new ATOM 0 HA ALA A 68 1.507 18.582 -9.714 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.596 17.671 -8.787 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.268 17.631 -7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.763 16.138 -8.436 1.00 0.00 H new ATOM 1047 N VAL A 69 2.075 15.698 -11.246 1.00 0.00 N ATOM 1048 CA VAL A 69 2.606 15.102 -12.491 1.00 0.00 C ATOM 1049 C VAL A 69 1.823 15.528 -13.721 1.00 0.00 C ATOM 1050 O VAL A 69 2.305 15.396 -14.853 1.00 0.00 O ATOM 1051 CB VAL A 69 2.695 13.541 -12.462 1.00 0.00 C ATOM 1052 CG1 VAL A 69 3.451 13.043 -11.264 1.00 0.00 C ATOM 1053 CG2 VAL A 69 1.339 12.863 -12.587 1.00 0.00 C ATOM 0 H VAL A 69 1.638 15.030 -10.611 1.00 0.00 H new ATOM 0 HA VAL A 69 3.622 15.493 -12.554 1.00 0.00 H new ATOM 0 HB VAL A 69 3.261 13.260 -13.350 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.488 11.954 -11.284 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.465 13.441 -11.283 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.949 13.372 -10.354 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.469 11.781 -12.560 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.700 13.172 -11.760 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.875 13.149 -13.531 1.00 0.00 H new ATOM 1063 N ASP A 70 0.615 15.989 -13.518 1.00 0.00 N ATOM 1064 CA ASP A 70 -0.205 16.391 -14.637 1.00 0.00 C ATOM 1065 C ASP A 70 -0.331 17.912 -14.800 1.00 0.00 C ATOM 1066 O ASP A 70 -0.318 18.416 -15.923 1.00 0.00 O ATOM 1067 CB ASP A 70 -1.593 15.735 -14.549 1.00 0.00 C ATOM 1068 CG ASP A 70 -2.519 16.134 -15.687 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -2.161 15.894 -16.873 1.00 0.00 O ATOM 1070 OD2 ASP A 70 -3.620 16.677 -15.408 1.00 0.00 O1- ATOM 0 H ASP A 70 0.180 16.095 -12.602 1.00 0.00 H new ATOM 0 HA ASP A 70 0.309 16.039 -15.531 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.476 14.651 -14.548 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.056 16.006 -13.600 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.420 18.649 -13.706 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.788 20.075 -13.818 1.00 0.00 C ATOM 1077 C ASN A 71 0.355 21.070 -13.706 1.00 0.00 C ATOM 1078 O ASN A 71 0.226 22.205 -14.166 1.00 0.00 O ATOM 1079 CB ASN A 71 -1.999 20.437 -12.934 1.00 0.00 C ATOM 1080 CG ASN A 71 -3.241 19.629 -13.303 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -3.348 19.257 -14.560 1.00 0.00 O flip ATOM 1082 ND2 ASN A 71 -4.107 19.337 -12.461 1.00 0.00 N flip ATOM 0 H ASN A 71 -0.252 18.313 -12.758 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.099 20.184 -14.857 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.749 20.260 -11.888 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.216 21.500 -13.035 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.999 19.638 -11.493 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.926 18.796 -12.738 1.00 0.00 H new ATOM 1089 N LEU A 72 1.449 20.674 -13.085 1.00 0.00 N ATOM 1090 CA LEU A 72 2.632 21.541 -13.021 1.00 0.00 C ATOM 1091 C LEU A 72 3.649 21.113 -14.038 1.00 0.00 C ATOM 1092 O LEU A 72 4.584 21.843 -14.348 1.00 0.00 O ATOM 1093 CB LEU A 72 3.286 21.521 -11.638 1.00 0.00 C ATOM 1094 CG LEU A 72 2.615 22.321 -10.535 1.00 0.00 C ATOM 1095 CD1 LEU A 72 3.285 22.025 -9.205 1.00 0.00 C ATOM 1096 CD2 LEU A 72 2.695 23.815 -10.834 1.00 0.00 C ATOM 0 H LEU A 72 1.553 19.772 -12.620 1.00 0.00 H new ATOM 0 HA LEU A 72 2.290 22.555 -13.229 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.349 20.483 -11.310 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.308 21.885 -11.744 1.00 0.00 H new ATOM 0 HG LEU A 72 1.565 22.032 -10.483 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.800 22.601 -8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.198 20.961 -8.983 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.338 22.299 -9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.209 24.373 -10.033 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.740 24.117 -10.904 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.193 24.024 -11.778 1.00 0.00 H new ATOM 1108 N ASN A 73 3.458 19.936 -14.568 1.00 0.00 N ATOM 1109 CA ASN A 73 4.410 19.335 -15.479 1.00 0.00 C ATOM 1110 C ASN A 73 4.506 20.118 -16.771 1.00 0.00 C ATOM 1111 O ASN A 73 3.570 20.143 -17.574 1.00 0.00 O ATOM 1112 CB ASN A 73 4.044 17.881 -15.733 1.00 0.00 C ATOM 1113 CG ASN A 73 5.052 17.138 -16.585 1.00 0.00 C ATOM 1114 OD1 ASN A 73 6.252 17.453 -16.605 1.00 0.00 O ATOM 1115 ND2 ASN A 73 4.591 16.133 -17.257 1.00 0.00 N ATOM 0 H ASN A 73 2.637 19.360 -14.383 1.00 0.00 H new ATOM 0 HA ASN A 73 5.397 19.363 -15.016 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.943 17.369 -14.776 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.070 17.841 -16.221 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.221 15.569 -17.828 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.598 15.904 -17.216 1.00 0.00 H new ATOM 1122 N GLY A 74 5.633 20.773 -16.950 1.00 0.00 N ATOM 1123 CA GLY A 74 5.834 21.598 -18.103 1.00 0.00 C ATOM 1124 C GLY A 74 5.839 23.074 -17.751 1.00 0.00 C ATOM 1125 O GLY A 74 5.960 23.925 -18.643 1.00 0.00 O ATOM 0 H GLY A 74 6.422 20.744 -16.304 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.780 21.335 -18.577 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.047 21.401 -18.831 1.00 0.00 H new ATOM 1129 N PHE A 75 5.708 23.390 -16.460 1.00 0.00 N ATOM 1130 CA PHE A 75 5.702 24.778 -16.024 1.00 0.00 C ATOM 1131 C PHE A 75 7.089 25.372 -16.159 1.00 0.00 C ATOM 1132 O PHE A 75 8.090 24.745 -15.786 1.00 0.00 O ATOM 1133 CB PHE A 75 5.181 24.936 -14.584 1.00 0.00 C ATOM 1134 CG PHE A 75 4.964 26.374 -14.177 1.00 0.00 C ATOM 1135 CD1 PHE A 75 3.920 27.108 -14.718 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.796 26.984 -13.265 1.00 0.00 C ATOM 1137 CE1 PHE A 75 3.718 28.422 -14.361 1.00 0.00 C ATOM 1138 CE2 PHE A 75 5.600 28.302 -12.900 1.00 0.00 C ATOM 1139 CZ PHE A 75 4.562 29.021 -13.451 1.00 0.00 C ATOM 0 H PHE A 75 5.606 22.707 -15.709 1.00 0.00 H new ATOM 0 HA PHE A 75 5.014 25.322 -16.671 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.241 24.393 -14.484 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.890 24.475 -13.897 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.255 26.642 -15.430 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.612 26.425 -12.830 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.901 28.981 -14.792 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.260 28.768 -12.183 1.00 0.00 H new ATOM 0 HZ PHE A 75 4.410 30.053 -13.170 1.00 0.00 H new ATOM 1149 N LYS A 76 7.136 26.557 -16.697 1.00 0.00 N ATOM 1150 CA LYS A 76 8.363 27.245 -16.972 1.00 0.00 C ATOM 1151 C LYS A 76 8.814 28.040 -15.747 1.00 0.00 C ATOM 1152 O LYS A 76 8.085 28.909 -15.263 1.00 0.00 O ATOM 1153 CB LYS A 76 8.128 28.198 -18.144 1.00 0.00 C ATOM 1154 CG LYS A 76 9.374 28.878 -18.702 1.00 0.00 C ATOM 1155 CD LYS A 76 10.279 27.916 -19.474 1.00 0.00 C ATOM 1156 CE LYS A 76 9.594 27.323 -20.713 1.00 0.00 C ATOM 1157 NZ LYS A 76 9.150 28.360 -21.673 1.00 0.00 N1+ ATOM 0 H LYS A 76 6.303 27.083 -16.962 1.00 0.00 H new ATOM 0 HA LYS A 76 9.141 26.523 -17.219 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.648 27.643 -18.950 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.427 28.969 -17.826 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.073 29.694 -19.360 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.939 29.321 -17.882 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.183 28.442 -19.781 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.589 27.107 -18.813 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.283 26.642 -21.213 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.734 26.732 -20.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.819 27.905 -22.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.374 28.911 -21.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.945 28.993 -21.892 1.00 0.00 H new ATOM 1171 N ILE A 77 9.984 27.713 -15.252 1.00 0.00 N ATOM 1172 CA ILE A 77 10.628 28.415 -14.155 1.00 0.00 C ATOM 1173 C ILE A 77 12.088 28.578 -14.527 1.00 0.00 C ATOM 1174 O ILE A 77 12.771 27.594 -14.758 1.00 0.00 O ATOM 1175 CB ILE A 77 10.551 27.636 -12.793 1.00 0.00 C ATOM 1176 CG1 ILE A 77 9.098 27.385 -12.393 1.00 0.00 C ATOM 1177 CG2 ILE A 77 11.292 28.405 -11.673 1.00 0.00 C ATOM 1178 CD1 ILE A 77 8.933 26.579 -11.123 1.00 0.00 C ATOM 0 H ILE A 77 10.534 26.931 -15.607 1.00 0.00 H new ATOM 0 HA ILE A 77 10.114 29.365 -14.009 1.00 0.00 H new ATOM 0 HB ILE A 77 11.043 26.673 -12.931 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.597 28.345 -12.268 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.594 26.865 -13.208 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.224 27.845 -10.741 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.340 28.527 -11.947 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.835 29.386 -11.541 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.872 26.447 -10.911 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.403 25.603 -11.248 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.406 27.106 -10.294 1.00 0.00 H new ATOM 1190 N GLY A 78 12.516 29.804 -14.700 1.00 0.00 N ATOM 1191 CA GLY A 78 13.918 30.077 -14.944 1.00 0.00 C ATOM 1192 C GLY A 78 14.394 29.621 -16.303 1.00 0.00 C ATOM 1193 O GLY A 78 15.478 29.046 -16.420 1.00 0.00 O ATOM 0 H GLY A 78 11.918 30.630 -14.677 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.093 31.148 -14.847 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.515 29.586 -14.175 1.00 0.00 H new ATOM 1197 N GLY A 79 13.569 29.827 -17.315 1.00 0.00 N ATOM 1198 CA GLY A 79 13.958 29.513 -18.684 1.00 0.00 C ATOM 1199 C GLY A 79 13.881 28.034 -19.022 1.00 0.00 C ATOM 1200 O GLY A 79 14.214 27.629 -20.132 1.00 0.00 O ATOM 0 H GLY A 79 12.628 30.209 -17.218 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.316 30.066 -19.370 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.977 29.861 -18.851 1.00 0.00 H new ATOM 1204 N ARG A 80 13.453 27.238 -18.078 1.00 0.00 N ATOM 1205 CA ARG A 80 13.304 25.812 -18.269 1.00 0.00 C ATOM 1206 C ARG A 80 11.996 25.356 -17.682 1.00 0.00 C ATOM 1207 O ARG A 80 11.444 26.013 -16.811 1.00 0.00 O ATOM 1208 CB ARG A 80 14.483 25.049 -17.651 1.00 0.00 C ATOM 1209 CG ARG A 80 14.888 25.573 -16.288 1.00 0.00 C ATOM 1210 CD ARG A 80 15.964 24.733 -15.626 1.00 0.00 C ATOM 1211 NE ARG A 80 17.029 24.317 -16.540 1.00 0.00 N ATOM 1212 CZ ARG A 80 18.325 24.574 -16.387 1.00 0.00 C ATOM 1213 NH1 ARG A 80 18.733 25.463 -15.487 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 19.207 23.975 -17.172 1.00 0.00 N ATOM 0 H ARG A 80 13.195 27.560 -17.145 1.00 0.00 H new ATOM 0 HA ARG A 80 13.302 25.598 -19.338 1.00 0.00 H new ATOM 0 HB2 ARG A 80 14.219 23.995 -17.564 1.00 0.00 H new ATOM 0 HB3 ARG A 80 15.338 25.109 -18.324 1.00 0.00 H new ATOM 0 HG2 ARG A 80 15.246 26.597 -16.390 1.00 0.00 H new ATOM 0 HG3 ARG A 80 14.011 25.605 -15.642 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.402 25.301 -14.805 1.00 0.00 H new ATOM 0 HD3 ARG A 80 15.504 23.846 -15.190 1.00 0.00 H new ATOM 0 HE ARG A 80 16.754 23.784 -17.365 1.00 0.00 H new ATOM 0 HH11 ARG A 80 18.051 25.953 -14.908 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.728 25.655 -15.375 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.891 23.321 -17.888 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.202 24.167 -17.060 1.00 0.00 H new ATOM 1228 N ALA A 81 11.475 24.289 -18.189 1.00 0.00 N ATOM 1229 CA ALA A 81 10.240 23.759 -17.703 1.00 0.00 C ATOM 1230 C ALA A 81 10.509 22.541 -16.873 1.00 0.00 C ATOM 1231 O ALA A 81 11.227 21.641 -17.302 1.00 0.00 O ATOM 1232 CB ALA A 81 9.308 23.428 -18.848 1.00 0.00 C ATOM 0 H ALA A 81 11.892 23.757 -18.953 1.00 0.00 H new ATOM 0 HA ALA A 81 9.752 24.512 -17.084 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.375 23.026 -18.453 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.100 24.332 -19.421 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.776 22.687 -19.496 1.00 0.00 H new ATOM 1238 N LEU A 82 9.957 22.506 -15.704 1.00 0.00 N ATOM 1239 CA LEU A 82 10.164 21.392 -14.825 1.00 0.00 C ATOM 1240 C LEU A 82 9.310 20.189 -15.204 1.00 0.00 C ATOM 1241 O LEU A 82 8.232 20.327 -15.811 1.00 0.00 O ATOM 1242 CB LEU A 82 10.051 21.787 -13.333 1.00 0.00 C ATOM 1243 CG LEU A 82 8.881 22.698 -12.897 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.535 22.060 -13.139 1.00 0.00 C ATOM 1245 CD2 LEU A 82 9.024 23.055 -11.433 1.00 0.00 C ATOM 0 H LEU A 82 9.355 23.239 -15.330 1.00 0.00 H new ATOM 0 HA LEU A 82 11.197 21.070 -14.961 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.990 20.868 -12.751 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.980 22.282 -13.050 1.00 0.00 H new ATOM 0 HG LEU A 82 8.928 23.600 -13.507 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.747 22.740 -12.816 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.419 21.848 -14.202 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.466 21.130 -12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.196 23.697 -11.133 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.013 22.145 -10.834 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.966 23.581 -11.277 1.00 0.00 H new ATOM 1257 N LYS A 83 9.818 19.039 -14.910 1.00 0.00 N ATOM 1258 CA LYS A 83 9.180 17.784 -15.201 1.00 0.00 C ATOM 1259 C LYS A 83 8.839 17.077 -13.916 1.00 0.00 C ATOM 1260 O LYS A 83 9.677 16.978 -13.040 1.00 0.00 O ATOM 1261 CB LYS A 83 10.140 16.922 -16.054 1.00 0.00 C ATOM 1262 CG LYS A 83 9.809 15.417 -16.149 1.00 0.00 C ATOM 1263 CD LYS A 83 8.436 15.071 -16.764 1.00 0.00 C ATOM 1264 CE LYS A 83 8.305 15.384 -18.259 1.00 0.00 C ATOM 1265 NZ LYS A 83 8.185 16.827 -18.563 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.720 18.936 -14.444 1.00 0.00 H new ATOM 0 HA LYS A 83 8.257 17.953 -15.756 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.161 17.332 -17.064 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.146 17.026 -15.647 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.584 14.930 -16.740 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.856 14.990 -15.147 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.242 14.009 -16.611 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.663 15.617 -16.223 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.174 14.984 -18.781 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.431 14.866 -18.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.664 16.952 -19.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.673 17.303 -17.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.134 17.242 -18.656 1.00 0.00 H new ATOM 1279 N ILE A 84 7.618 16.616 -13.807 1.00 0.00 N ATOM 1280 CA ILE A 84 7.208 15.828 -12.675 1.00 0.00 C ATOM 1281 C ILE A 84 6.693 14.502 -13.222 1.00 0.00 C ATOM 1282 O ILE A 84 5.781 14.490 -14.050 1.00 0.00 O ATOM 1283 CB ILE A 84 6.075 16.473 -11.806 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.340 17.923 -11.414 1.00 0.00 C ATOM 1285 CG2 ILE A 84 5.876 15.680 -10.548 1.00 0.00 C ATOM 1286 CD1 ILE A 84 5.943 18.922 -12.449 1.00 0.00 C ATOM 0 H ILE A 84 6.885 16.776 -14.498 1.00 0.00 H new ATOM 0 HA ILE A 84 8.072 15.729 -12.017 1.00 0.00 H new ATOM 0 HB ILE A 84 5.185 16.461 -12.436 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.803 18.141 -10.491 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.402 18.041 -11.201 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.086 16.137 -9.951 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.594 14.658 -10.803 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.803 15.668 -9.975 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.166 19.927 -12.089 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.498 18.734 -13.368 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.875 18.836 -12.647 1.00 0.00 H new ATOM 1298 N ASP A 85 7.294 13.418 -12.806 1.00 0.00 N ATOM 1299 CA ASP A 85 6.922 12.078 -13.282 1.00 0.00 C ATOM 1300 C ASP A 85 7.013 11.135 -12.103 1.00 0.00 C ATOM 1301 O ASP A 85 7.931 11.258 -11.326 1.00 0.00 O ATOM 1302 CB ASP A 85 7.923 11.639 -14.364 1.00 0.00 C ATOM 1303 CG ASP A 85 7.540 10.374 -15.104 1.00 0.00 C ATOM 1304 OD1 ASP A 85 6.587 10.398 -15.891 1.00 0.00 O ATOM 1305 OD2 ASP A 85 8.240 9.356 -14.967 1.00 0.00 O1- ATOM 0 H ASP A 85 8.056 13.421 -12.128 1.00 0.00 H new ATOM 0 HA ASP A 85 5.915 12.075 -13.700 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.034 12.447 -15.087 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.898 11.491 -13.899 1.00 0.00 H new ATOM 1310 N HIS A 86 6.068 10.234 -11.936 1.00 0.00 N ATOM 1311 CA HIS A 86 6.104 9.301 -10.788 1.00 0.00 C ATOM 1312 C HIS A 86 7.367 8.430 -10.828 1.00 0.00 C ATOM 1313 O HIS A 86 7.738 7.908 -11.872 1.00 0.00 O ATOM 1314 CB HIS A 86 4.898 8.373 -10.765 1.00 0.00 C ATOM 1315 CG HIS A 86 3.549 8.989 -10.546 1.00 0.00 C ATOM 1316 ND1 HIS A 86 2.822 8.857 -9.377 1.00 0.00 N ATOM 1317 CD2 HIS A 86 2.758 9.673 -11.397 1.00 0.00 C ATOM 1318 CE1 HIS A 86 1.641 9.449 -9.561 1.00 0.00 C ATOM 1319 NE2 HIS A 86 1.551 9.963 -10.771 1.00 0.00 N ATOM 0 H HIS A 86 5.270 10.114 -12.560 1.00 0.00 H new ATOM 0 HA HIS A 86 6.097 9.923 -9.893 1.00 0.00 H new ATOM 0 HB2 HIS A 86 4.871 7.835 -11.712 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.060 7.632 -9.982 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.134 8.390 -8.525 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.021 9.952 -12.407 1.00 0.00 H new ATOM 0 HE1 HIS A 86 0.861 9.500 -8.816 1.00 0.00 H new ATOM 1327 N THR A 87 8.004 8.270 -9.704 1.00 0.00 N ATOM 1328 CA THR A 87 9.212 7.490 -9.613 1.00 0.00 C ATOM 1329 C THR A 87 9.271 6.872 -8.219 1.00 0.00 C ATOM 1330 O THR A 87 8.519 7.278 -7.334 1.00 0.00 O ATOM 1331 CB THR A 87 10.480 8.368 -9.873 1.00 0.00 C ATOM 1332 OG1 THR A 87 11.651 7.539 -9.987 1.00 0.00 O ATOM 1333 CG2 THR A 87 10.693 9.356 -8.737 1.00 0.00 C ATOM 0 H THR A 87 7.702 8.677 -8.819 1.00 0.00 H new ATOM 0 HA THR A 87 9.200 6.712 -10.376 1.00 0.00 H new ATOM 0 HB THR A 87 10.320 8.912 -10.804 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.436 8.102 -10.151 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.580 9.956 -8.938 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.824 10.009 -8.655 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.828 8.812 -7.802 1.00 0.00 H new ATOM 1341 N PHE A 88 10.060 5.853 -8.040 1.00 0.00 N ATOM 1342 CA PHE A 88 10.207 5.277 -6.741 1.00 0.00 C ATOM 1343 C PHE A 88 11.648 4.882 -6.528 1.00 0.00 C ATOM 1344 O PHE A 88 12.135 3.915 -7.114 1.00 0.00 O ATOM 1345 CB PHE A 88 9.267 4.085 -6.543 1.00 0.00 C ATOM 1346 CG PHE A 88 9.191 3.628 -5.121 1.00 0.00 C ATOM 1347 CD1 PHE A 88 8.473 4.367 -4.194 1.00 0.00 C ATOM 1348 CD2 PHE A 88 9.826 2.475 -4.708 1.00 0.00 C ATOM 1349 CE1 PHE A 88 8.392 3.962 -2.883 1.00 0.00 C ATOM 1350 CE2 PHE A 88 9.747 2.065 -3.397 1.00 0.00 C ATOM 1351 CZ PHE A 88 9.029 2.812 -2.483 1.00 0.00 C ATOM 0 H PHE A 88 10.608 5.407 -8.775 1.00 0.00 H new ATOM 0 HA PHE A 88 9.929 6.021 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.268 4.357 -6.885 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.603 3.257 -7.167 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.971 5.271 -4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.390 1.890 -5.419 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.829 4.546 -2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.246 1.160 -3.083 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.968 2.492 -1.453 1.00 0.00 H new ATOM 1361 N TYR A 89 12.332 5.653 -5.728 1.00 0.00 N ATOM 1362 CA TYR A 89 13.718 5.402 -5.430 1.00 0.00 C ATOM 1363 C TYR A 89 13.778 4.877 -4.008 1.00 0.00 C ATOM 1364 O TYR A 89 12.816 5.047 -3.247 1.00 0.00 O ATOM 1365 CB TYR A 89 14.567 6.699 -5.570 1.00 0.00 C ATOM 1366 CG TYR A 89 14.525 7.637 -4.365 1.00 0.00 C ATOM 1367 CD1 TYR A 89 13.397 8.392 -4.056 1.00 0.00 C ATOM 1368 CD2 TYR A 89 15.625 7.734 -3.522 1.00 0.00 C ATOM 1369 CE1 TYR A 89 13.379 9.212 -2.940 1.00 0.00 C ATOM 1370 CE2 TYR A 89 15.609 8.541 -2.411 1.00 0.00 C ATOM 1371 CZ TYR A 89 14.491 9.276 -2.121 1.00 0.00 C ATOM 1372 OH TYR A 89 14.483 10.077 -1.009 1.00 0.00 O ATOM 0 H TYR A 89 11.945 6.474 -5.263 1.00 0.00 H new ATOM 0 HA TYR A 89 14.132 4.677 -6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 89 15.604 6.417 -5.755 1.00 0.00 H new ATOM 0 HB3 TYR A 89 14.224 7.246 -6.448 1.00 0.00 H new ATOM 0 HD1 TYR A 89 12.527 8.338 -4.693 1.00 0.00 H new ATOM 0 HD2 TYR A 89 16.513 7.162 -3.746 1.00 0.00 H new ATOM 0 HE1 TYR A 89 12.501 9.798 -2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.475 8.596 -1.768 1.00 0.00 H new ATOM 0 HH TYR A 89 15.383 10.111 -0.624 1.00 0.00 H new ATOM 1382 N ARG A 90 14.844 4.234 -3.649 1.00 0.00 N ATOM 1383 CA ARG A 90 14.981 3.751 -2.303 1.00 0.00 C ATOM 1384 C ARG A 90 15.743 4.778 -1.476 1.00 0.00 C ATOM 1385 O ARG A 90 16.871 5.148 -1.836 1.00 0.00 O ATOM 1386 CB ARG A 90 15.695 2.402 -2.271 1.00 0.00 C ATOM 1387 CG ARG A 90 15.006 1.306 -3.085 1.00 0.00 C ATOM 1388 CD ARG A 90 13.578 1.049 -2.610 1.00 0.00 C ATOM 1389 NE ARG A 90 13.523 0.578 -1.219 1.00 0.00 N ATOM 1390 CZ ARG A 90 12.513 0.819 -0.361 1.00 0.00 C ATOM 1391 NH1 ARG A 90 11.500 1.610 -0.711 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 12.523 0.268 0.840 1.00 0.00 N ATOM 0 H ARG A 90 15.632 4.030 -4.263 1.00 0.00 H new ATOM 0 HA ARG A 90 13.988 3.607 -1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.710 2.533 -2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 90 15.777 2.072 -1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.992 1.591 -4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.583 0.384 -3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.997 1.967 -2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.110 0.309 -3.259 1.00 0.00 H new ATOM 0 HE ARG A 90 14.310 0.026 -0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.484 2.039 -1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.740 1.786 -0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.295 -0.339 1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.759 0.450 1.491 1.00 0.00 H new ATOM 1406 N PRO A 91 15.115 5.302 -0.404 1.00 0.00 N ATOM 1407 CA PRO A 91 15.747 6.273 0.503 1.00 0.00 C ATOM 1408 C PRO A 91 17.065 5.735 1.039 1.00 0.00 C ATOM 1409 O PRO A 91 17.132 4.597 1.528 1.00 0.00 O ATOM 1410 CB PRO A 91 14.735 6.411 1.647 1.00 0.00 C ATOM 1411 CG PRO A 91 13.432 6.019 1.056 1.00 0.00 C ATOM 1412 CD PRO A 91 13.739 4.982 0.011 1.00 0.00 C ATOM 0 HA PRO A 91 15.975 7.218 0.010 1.00 0.00 H new ATOM 0 HB2 PRO A 91 14.998 5.767 2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.705 7.432 2.026 1.00 0.00 H new ATOM 0 HG2 PRO A 91 12.764 5.617 1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.930 6.880 0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.667 3.972 0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.044 5.040 -0.827 1.00 0.00 H new ATOM 1420 N LYS A 92 18.096 6.530 0.953 1.00 0.00 N ATOM 1421 CA LYS A 92 19.409 6.097 1.352 1.00 0.00 C ATOM 1422 C LYS A 92 19.564 6.211 2.856 1.00 0.00 C ATOM 1423 O LYS A 92 19.195 7.220 3.452 1.00 0.00 O ATOM 1424 CB LYS A 92 20.472 6.969 0.670 1.00 0.00 C ATOM 1425 CG LYS A 92 20.373 7.004 -0.852 1.00 0.00 C ATOM 1426 CD LYS A 92 21.437 7.910 -1.483 1.00 0.00 C ATOM 1427 CE LYS A 92 22.852 7.387 -1.253 1.00 0.00 C ATOM 1428 NZ LYS A 92 23.072 6.062 -1.878 1.00 0.00 N1+ ATOM 0 H LYS A 92 18.052 7.489 0.607 1.00 0.00 H new ATOM 0 HA LYS A 92 19.539 5.057 1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.390 7.987 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.460 6.603 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 92 20.481 5.993 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 92 19.382 7.354 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 92 21.252 7.993 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 92 21.350 8.913 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 92 23.570 8.100 -1.657 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.041 7.316 -0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 24.086 5.833 -1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 22.543 5.338 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 22.742 6.084 -2.864 1.00 0.00 H new ATOM 1442 N ARG A 93 20.172 5.219 3.443 1.00 0.00 N ATOM 1443 CA ARG A 93 20.423 5.185 4.870 1.00 0.00 C ATOM 1444 C ARG A 93 21.463 6.236 5.170 1.00 0.00 C ATOM 1445 O ARG A 93 21.344 7.005 6.096 1.00 0.00 O ATOM 1446 CB ARG A 93 20.971 3.795 5.237 1.00 0.00 C ATOM 1447 CG ARG A 93 21.019 3.414 6.723 1.00 0.00 C ATOM 1448 CD ARG A 93 21.884 4.317 7.598 1.00 0.00 C ATOM 1449 NE ARG A 93 23.275 4.387 7.128 1.00 0.00 N ATOM 1450 CZ ARG A 93 24.213 5.196 7.636 1.00 0.00 C ATOM 1451 NH1 ARG A 93 23.900 6.065 8.590 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 25.451 5.163 7.154 1.00 0.00 N ATOM 0 H ARG A 93 20.514 4.398 2.945 1.00 0.00 H new ATOM 0 HA ARG A 93 19.514 5.376 5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.367 3.050 4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 93 21.983 3.718 4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 93 20.002 3.420 7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 93 21.388 2.392 6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 93 21.458 5.320 7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 93 21.868 3.948 8.624 1.00 0.00 H new ATOM 0 HE ARG A 93 23.545 3.774 6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 93 22.943 6.118 8.938 1.00 0.00 H new ATOM 0 HH12 ARG A 93 24.617 6.680 8.975 1.00 0.00 H new ATOM 0 HH21 ARG A 93 25.687 4.521 6.397 1.00 0.00 H new ATOM 0 HH22 ARG A 93 26.166 5.779 7.541 1.00 0.00 H new ATOM 1466 N SER A 94 22.458 6.278 4.346 1.00 0.00 N ATOM 1467 CA SER A 94 23.573 7.161 4.521 1.00 0.00 C ATOM 1468 C SER A 94 23.179 8.650 4.370 1.00 0.00 C ATOM 1469 O SER A 94 23.945 9.547 4.744 1.00 0.00 O ATOM 1470 CB SER A 94 24.636 6.752 3.529 1.00 0.00 C ATOM 1471 OG SER A 94 24.950 5.362 3.674 1.00 0.00 O ATOM 0 H SER A 94 22.524 5.690 3.515 1.00 0.00 H new ATOM 0 HA SER A 94 23.955 7.074 5.538 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.290 6.949 2.514 1.00 0.00 H new ATOM 0 HB3 SER A 94 25.534 7.351 3.681 1.00 0.00 H new ATOM 0 HG SER A 94 25.639 5.113 3.023 1.00 0.00 H new ATOM 1477 N LEU A 95 21.983 8.899 3.853 1.00 0.00 N ATOM 1478 CA LEU A 95 21.509 10.250 3.661 1.00 0.00 C ATOM 1479 C LEU A 95 20.346 10.554 4.627 1.00 0.00 C ATOM 1480 O LEU A 95 19.693 11.602 4.527 1.00 0.00 O ATOM 1481 CB LEU A 95 21.063 10.421 2.211 1.00 0.00 C ATOM 1482 CG LEU A 95 20.862 11.849 1.719 1.00 0.00 C ATOM 1483 CD1 LEU A 95 22.120 12.654 1.942 1.00 0.00 C ATOM 1484 CD2 LEU A 95 20.498 11.854 0.246 1.00 0.00 C ATOM 0 H LEU A 95 21.326 8.175 3.560 1.00 0.00 H new ATOM 0 HA LEU A 95 22.315 10.952 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.802 9.941 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.126 9.880 2.078 1.00 0.00 H new ATOM 0 HG LEU A 95 20.045 12.300 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 95 21.967 13.673 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 95 22.357 12.672 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 95 22.945 12.199 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 95 20.358 12.881 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.300 11.390 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.575 11.294 0.097 1.00 0.00 H new ATOM 1496 N GLN A 96 20.132 9.651 5.587 1.00 0.00 N ATOM 1497 CA GLN A 96 18.996 9.713 6.531 1.00 0.00 C ATOM 1498 C GLN A 96 18.828 11.058 7.222 1.00 0.00 C ATOM 1499 O GLN A 96 17.714 11.563 7.322 1.00 0.00 O ATOM 1500 CB GLN A 96 19.081 8.604 7.575 1.00 0.00 C ATOM 1501 CG GLN A 96 20.358 8.619 8.425 1.00 0.00 C ATOM 1502 CD GLN A 96 20.418 7.470 9.394 1.00 0.00 C ATOM 1503 OE1 GLN A 96 21.502 6.965 9.719 1.00 0.00 O ATOM 1504 NE2 GLN A 96 19.286 7.081 9.892 1.00 0.00 N ATOM 0 H GLN A 96 20.742 8.848 5.738 1.00 0.00 H new ATOM 0 HA GLN A 96 18.111 9.570 5.911 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.219 8.681 8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.009 7.641 7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 96 21.228 8.583 7.769 1.00 0.00 H new ATOM 0 HG3 GLN A 96 20.413 9.558 8.976 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.418 7.526 9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.263 6.330 10.581 1.00 0.00 H new ATOM 1513 N LYS A 97 19.933 11.656 7.661 1.00 0.00 N ATOM 1514 CA LYS A 97 19.859 12.914 8.386 1.00 0.00 C ATOM 1515 C LYS A 97 19.364 14.046 7.528 1.00 0.00 C ATOM 1516 O LYS A 97 18.790 14.984 8.039 1.00 0.00 O ATOM 1517 CB LYS A 97 21.174 13.278 9.070 1.00 0.00 C ATOM 1518 CG LYS A 97 21.571 12.342 10.205 1.00 0.00 C ATOM 1519 CD LYS A 97 20.533 12.310 11.338 1.00 0.00 C ATOM 1520 CE LYS A 97 20.316 13.687 11.970 1.00 0.00 C ATOM 1521 NZ LYS A 97 19.356 13.642 13.085 1.00 0.00 N1+ ATOM 0 H LYS A 97 20.877 11.293 7.528 1.00 0.00 H new ATOM 0 HA LYS A 97 19.121 12.755 9.172 1.00 0.00 H new ATOM 0 HB2 LYS A 97 21.969 13.283 8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 97 21.098 14.293 9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 97 21.703 11.335 9.810 1.00 0.00 H new ATOM 0 HG3 LYS A 97 22.534 12.655 10.609 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.585 11.939 10.948 1.00 0.00 H new ATOM 0 HD3 LYS A 97 20.859 11.608 12.106 1.00 0.00 H new ATOM 0 HE2 LYS A 97 21.269 14.074 12.329 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.956 14.381 11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.329 14.568 13.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.410 13.412 12.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.650 12.914 13.767 1.00 0.00 H new ATOM 1535 N TYR A 98 19.560 13.952 6.224 1.00 0.00 N ATOM 1536 CA TYR A 98 19.056 14.973 5.345 1.00 0.00 C ATOM 1537 C TYR A 98 17.545 14.824 5.235 1.00 0.00 C ATOM 1538 O TYR A 98 16.825 15.795 5.329 1.00 0.00 O ATOM 1539 CB TYR A 98 19.761 14.928 3.963 1.00 0.00 C ATOM 1540 CG TYR A 98 19.144 15.826 2.892 1.00 0.00 C ATOM 1541 CD1 TYR A 98 19.288 17.212 2.931 1.00 0.00 C ATOM 1542 CD2 TYR A 98 18.421 15.278 1.841 1.00 0.00 C ATOM 1543 CE1 TYR A 98 18.717 18.018 1.953 1.00 0.00 C ATOM 1544 CE2 TYR A 98 17.856 16.075 0.865 1.00 0.00 C ATOM 1545 CZ TYR A 98 18.001 17.440 0.923 1.00 0.00 C ATOM 1546 OH TYR A 98 17.425 18.229 -0.053 1.00 0.00 O ATOM 0 H TYR A 98 20.057 13.189 5.764 1.00 0.00 H new ATOM 0 HA TYR A 98 19.277 15.957 5.759 1.00 0.00 H new ATOM 0 HB2 TYR A 98 20.805 15.211 4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.753 13.900 3.602 1.00 0.00 H new ATOM 0 HD1 TYR A 98 19.851 17.666 3.733 1.00 0.00 H new ATOM 0 HD2 TYR A 98 18.298 14.206 1.786 1.00 0.00 H new ATOM 0 HE1 TYR A 98 18.833 19.091 1.998 1.00 0.00 H new ATOM 0 HE2 TYR A 98 17.300 15.625 0.056 1.00 0.00 H new ATOM 0 HH TYR A 98 17.992 18.227 -0.852 1.00 0.00 H new ATOM 1556 N TYR A 99 17.089 13.580 5.138 1.00 0.00 N ATOM 1557 CA TYR A 99 15.659 13.270 4.995 1.00 0.00 C ATOM 1558 C TYR A 99 14.869 13.747 6.205 1.00 0.00 C ATOM 1559 O TYR A 99 13.870 14.480 6.074 1.00 0.00 O ATOM 1560 CB TYR A 99 15.426 11.762 4.835 1.00 0.00 C ATOM 1561 CG TYR A 99 16.099 11.113 3.650 1.00 0.00 C ATOM 1562 CD1 TYR A 99 16.311 11.805 2.476 1.00 0.00 C ATOM 1563 CD2 TYR A 99 16.483 9.792 3.700 1.00 0.00 C ATOM 1564 CE1 TYR A 99 16.890 11.201 1.381 1.00 0.00 C ATOM 1565 CE2 TYR A 99 17.065 9.184 2.618 1.00 0.00 C ATOM 1566 CZ TYR A 99 17.264 9.889 1.461 1.00 0.00 C ATOM 1567 OH TYR A 99 17.846 9.272 0.372 1.00 0.00 O ATOM 0 H TYR A 99 17.692 12.757 5.155 1.00 0.00 H new ATOM 0 HA TYR A 99 15.317 13.790 4.101 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.769 11.263 5.741 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.353 11.586 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 99 16.017 12.842 2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 99 16.323 9.226 4.606 1.00 0.00 H new ATOM 0 HE1 TYR A 99 17.047 11.759 0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 99 17.367 8.149 2.678 1.00 0.00 H new ATOM 0 HH TYR A 99 17.916 9.911 -0.367 1.00 0.00 H new ATOM 1577 N GLU A 100 15.303 13.331 7.381 1.00 0.00 N ATOM 1578 CA GLU A 100 14.612 13.704 8.588 1.00 0.00 C ATOM 1579 C GLU A 100 14.694 15.206 8.875 1.00 0.00 C ATOM 1580 O GLU A 100 13.706 15.803 9.293 1.00 0.00 O ATOM 1581 CB GLU A 100 15.003 12.845 9.796 1.00 0.00 C ATOM 1582 CG GLU A 100 16.489 12.648 10.004 1.00 0.00 C ATOM 1583 CD GLU A 100 16.790 12.197 11.383 1.00 0.00 C ATOM 1584 OE1 GLU A 100 16.975 13.047 12.251 1.00 0.00 O ATOM 1585 OE2 GLU A 100 16.875 10.988 11.627 1.00 0.00 O1- ATOM 0 H GLU A 100 16.123 12.741 7.519 1.00 0.00 H new ATOM 0 HA GLU A 100 13.559 13.488 8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.586 13.301 10.694 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.536 11.866 9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.863 11.914 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 100 17.012 13.583 9.804 1.00 0.00 H new ATOM 1592 N ALA A 101 15.837 15.826 8.576 1.00 0.00 N ATOM 1593 CA ALA A 101 16.002 17.270 8.786 1.00 0.00 C ATOM 1594 C ALA A 101 15.061 18.068 7.889 1.00 0.00 C ATOM 1595 O ALA A 101 14.598 19.155 8.262 1.00 0.00 O ATOM 1596 CB ALA A 101 17.434 17.695 8.541 1.00 0.00 C ATOM 0 H ALA A 101 16.657 15.358 8.191 1.00 0.00 H new ATOM 0 HA ALA A 101 15.750 17.479 9.826 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.528 18.769 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 101 18.093 17.165 9.228 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.713 17.458 7.514 1.00 0.00 H new ATOM 1602 N VAL A 102 14.782 17.536 6.708 1.00 0.00 N ATOM 1603 CA VAL A 102 13.854 18.172 5.799 1.00 0.00 C ATOM 1604 C VAL A 102 12.434 18.110 6.368 1.00 0.00 C ATOM 1605 O VAL A 102 11.725 19.133 6.449 1.00 0.00 O ATOM 1606 CB VAL A 102 13.882 17.540 4.370 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.790 18.128 3.502 1.00 0.00 C ATOM 1608 CG2 VAL A 102 15.215 17.785 3.699 1.00 0.00 C ATOM 0 H VAL A 102 15.187 16.666 6.362 1.00 0.00 H new ATOM 0 HA VAL A 102 14.169 19.211 5.698 1.00 0.00 H new ATOM 0 HB VAL A 102 13.722 16.468 4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.828 17.674 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.819 17.930 3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.936 19.205 3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 102 15.210 17.336 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.386 18.858 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.010 17.338 4.296 1.00 0.00 H new ATOM 1618 N LYS A 103 12.030 16.930 6.824 1.00 0.00 N ATOM 1619 CA LYS A 103 10.680 16.769 7.325 1.00 0.00 C ATOM 1620 C LYS A 103 10.452 17.513 8.618 1.00 0.00 C ATOM 1621 O LYS A 103 9.334 17.752 8.973 1.00 0.00 O ATOM 1622 CB LYS A 103 10.201 15.322 7.397 1.00 0.00 C ATOM 1623 CG LYS A 103 10.837 14.477 8.468 1.00 0.00 C ATOM 1624 CD LYS A 103 10.367 13.003 8.424 1.00 0.00 C ATOM 1625 CE LYS A 103 10.609 12.303 7.061 1.00 0.00 C ATOM 1626 NZ LYS A 103 9.580 12.627 6.020 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.607 16.090 6.856 1.00 0.00 H new ATOM 0 HA LYS A 103 10.048 17.235 6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 103 9.122 15.323 7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.383 14.850 6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.921 14.512 8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.603 14.900 9.445 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.884 12.444 9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.303 12.965 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.592 12.588 6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.627 11.224 7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.038 11.770 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.935 13.357 6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.052 12.979 5.163 1.00 0.00 H new ATOM 1640 N GLU A 104 11.525 17.875 9.318 1.00 0.00 N ATOM 1641 CA GLU A 104 11.419 18.713 10.523 1.00 0.00 C ATOM 1642 C GLU A 104 10.651 20.013 10.242 1.00 0.00 C ATOM 1643 O GLU A 104 10.056 20.592 11.131 1.00 0.00 O ATOM 1644 CB GLU A 104 12.795 19.039 11.094 1.00 0.00 C ATOM 1645 CG GLU A 104 13.476 17.861 11.743 1.00 0.00 C ATOM 1646 CD GLU A 104 12.696 17.351 12.921 1.00 0.00 C ATOM 1647 OE1 GLU A 104 12.723 17.996 13.995 1.00 0.00 O ATOM 1648 OE2 GLU A 104 12.049 16.307 12.818 1.00 0.00 O1- ATOM 0 H GLU A 104 12.479 17.605 9.077 1.00 0.00 H new ATOM 0 HA GLU A 104 10.861 18.136 11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.430 19.419 10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.694 19.839 11.828 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.596 17.062 11.012 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.476 18.151 12.066 1.00 0.00 H new ATOM 1655 N GLU A 105 10.696 20.467 9.011 1.00 0.00 N ATOM 1656 CA GLU A 105 9.937 21.626 8.586 1.00 0.00 C ATOM 1657 C GLU A 105 8.583 21.195 8.079 1.00 0.00 C ATOM 1658 O GLU A 105 7.554 21.743 8.468 1.00 0.00 O ATOM 1659 CB GLU A 105 10.649 22.383 7.470 1.00 0.00 C ATOM 1660 CG GLU A 105 11.927 23.058 7.885 1.00 0.00 C ATOM 1661 CD GLU A 105 11.703 24.071 8.977 1.00 0.00 C ATOM 1662 OE1 GLU A 105 11.000 25.070 8.753 1.00 0.00 O1- ATOM 1663 OE2 GLU A 105 12.196 23.880 10.095 1.00 0.00 O ATOM 0 H GLU A 105 11.260 20.045 8.273 1.00 0.00 H new ATOM 0 HA GLU A 105 9.833 22.283 9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.868 21.687 6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.970 23.136 7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.639 22.307 8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.374 23.550 7.021 1.00 0.00 H new ATOM 1670 N LEU A 106 8.597 20.185 7.234 1.00 0.00 N ATOM 1671 CA LEU A 106 7.402 19.696 6.544 1.00 0.00 C ATOM 1672 C LEU A 106 6.361 19.211 7.531 1.00 0.00 C ATOM 1673 O LEU A 106 5.186 19.525 7.410 1.00 0.00 O ATOM 1674 CB LEU A 106 7.779 18.572 5.593 1.00 0.00 C ATOM 1675 CG LEU A 106 8.969 18.852 4.675 1.00 0.00 C ATOM 1676 CD1 LEU A 106 9.194 17.701 3.737 1.00 0.00 C ATOM 1677 CD2 LEU A 106 8.795 20.153 3.910 1.00 0.00 C ATOM 0 H LEU A 106 9.444 19.669 6.998 1.00 0.00 H new ATOM 0 HA LEU A 106 6.973 20.523 5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.999 17.681 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.913 18.339 4.974 1.00 0.00 H new ATOM 0 HG LEU A 106 9.853 18.963 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.045 17.919 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.396 16.797 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.304 17.550 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.661 20.317 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.895 20.097 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.704 20.980 4.614 1.00 0.00 H new ATOM 1689 N ASP A 107 6.817 18.493 8.538 1.00 0.00 N ATOM 1690 CA ASP A 107 5.971 17.982 9.611 1.00 0.00 C ATOM 1691 C ASP A 107 5.226 19.092 10.293 1.00 0.00 C ATOM 1692 O ASP A 107 4.078 18.933 10.650 1.00 0.00 O ATOM 1693 CB ASP A 107 6.800 17.194 10.639 1.00 0.00 C ATOM 1694 CG ASP A 107 6.076 16.958 11.939 1.00 0.00 C ATOM 1695 OD1 ASP A 107 5.254 16.035 12.020 1.00 0.00 O ATOM 1696 OD2 ASP A 107 6.327 17.688 12.916 1.00 0.00 O1- ATOM 0 H ASP A 107 7.800 18.241 8.640 1.00 0.00 H new ATOM 0 HA ASP A 107 5.244 17.308 9.159 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.080 16.233 10.208 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.725 17.735 10.840 1.00 0.00 H new ATOM 1701 N ARG A 108 5.850 20.254 10.376 1.00 0.00 N ATOM 1702 CA ARG A 108 5.257 21.378 11.070 1.00 0.00 C ATOM 1703 C ARG A 108 4.203 22.062 10.191 1.00 0.00 C ATOM 1704 O ARG A 108 3.475 22.944 10.642 1.00 0.00 O ATOM 1705 CB ARG A 108 6.310 22.397 11.534 1.00 0.00 C ATOM 1706 CG ARG A 108 7.524 21.798 12.246 1.00 0.00 C ATOM 1707 CD ARG A 108 7.163 20.735 13.280 1.00 0.00 C ATOM 1708 NE ARG A 108 6.295 21.243 14.354 1.00 0.00 N ATOM 1709 CZ ARG A 108 5.506 20.489 15.146 1.00 0.00 C ATOM 1710 NH1 ARG A 108 5.340 19.182 14.903 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 4.854 21.062 16.158 1.00 0.00 N ATOM 0 H ARG A 108 6.767 20.441 9.971 1.00 0.00 H new ATOM 0 HA ARG A 108 4.773 20.982 11.963 1.00 0.00 H new ATOM 0 HB2 ARG A 108 6.657 22.958 10.666 1.00 0.00 H new ATOM 0 HB3 ARG A 108 5.831 23.111 12.204 1.00 0.00 H new ATOM 0 HG2 ARG A 108 8.190 21.359 11.503 1.00 0.00 H new ATOM 0 HG3 ARG A 108 8.078 22.598 12.738 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.664 19.905 12.780 1.00 0.00 H new ATOM 0 HD3 ARG A 108 8.079 20.338 13.719 1.00 0.00 H new ATOM 0 HE ARG A 108 6.290 22.251 14.513 1.00 0.00 H new ATOM 0 HH11 ARG A 108 5.813 18.746 14.111 1.00 0.00 H new ATOM 0 HH12 ARG A 108 4.740 18.623 15.510 1.00 0.00 H new ATOM 0 HH21 ARG A 108 4.954 22.063 16.328 1.00 0.00 H new ATOM 0 HH22 ARG A 108 4.255 20.500 16.762 1.00 0.00 H new ATOM 1725 N ASP A 109 4.152 21.672 8.935 1.00 0.00 N ATOM 1726 CA ASP A 109 3.150 22.190 8.004 1.00 0.00 C ATOM 1727 C ASP A 109 1.989 21.201 8.002 1.00 0.00 C ATOM 1728 O ASP A 109 0.822 21.578 8.025 1.00 0.00 O ATOM 1729 CB ASP A 109 3.751 22.284 6.587 1.00 0.00 C ATOM 1730 CG ASP A 109 2.959 23.157 5.617 1.00 0.00 C ATOM 1731 OD1 ASP A 109 1.854 22.780 5.168 1.00 0.00 O ATOM 1732 OD2 ASP A 109 3.475 24.236 5.236 1.00 0.00 O1- ATOM 0 H ASP A 109 4.794 20.993 8.525 1.00 0.00 H new ATOM 0 HA ASP A 109 2.819 23.184 8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.765 22.676 6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.827 21.279 6.172 1.00 0.00 H new ATOM 1737 N ILE A 110 2.350 19.914 8.032 1.00 0.00 N ATOM 1738 CA ILE A 110 1.392 18.803 8.066 1.00 0.00 C ATOM 1739 C ILE A 110 0.616 18.818 9.380 1.00 0.00 C ATOM 1740 O ILE A 110 -0.600 18.649 9.401 1.00 0.00 O ATOM 1741 CB ILE A 110 2.124 17.423 7.993 1.00 0.00 C ATOM 1742 CG1 ILE A 110 3.050 17.336 6.779 1.00 0.00 C ATOM 1743 CG2 ILE A 110 1.111 16.271 7.966 1.00 0.00 C ATOM 1744 CD1 ILE A 110 3.916 16.090 6.771 1.00 0.00 C ATOM 0 H ILE A 110 3.324 19.611 8.033 1.00 0.00 H new ATOM 0 HA ILE A 110 0.729 18.928 7.210 1.00 0.00 H new ATOM 0 HB ILE A 110 2.737 17.335 8.890 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.449 17.358 5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.692 18.216 6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.642 15.321 7.915 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.504 16.299 8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.467 16.374 7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.548 16.092 5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.543 16.077 7.663 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.280 15.205 6.762 1.00 0.00 H new ATOM 1973 N ILE B 206 25.971 14.906 8.291 1.00 0.00 N ATOM 1974 CA ILE B 206 26.211 14.946 6.878 1.00 0.00 C ATOM 1975 C ILE B 206 26.591 16.372 6.598 1.00 0.00 C ATOM 1976 O ILE B 206 26.136 17.278 7.309 1.00 0.00 O ATOM 1977 CB ILE B 206 24.927 14.657 6.039 1.00 0.00 C ATOM 1978 CG1 ILE B 206 24.006 13.607 6.705 1.00 0.00 C ATOM 1979 CG2 ILE B 206 25.318 14.189 4.635 1.00 0.00 C ATOM 1980 CD1 ILE B 206 24.569 12.197 6.788 1.00 0.00 C ATOM 0 HA ILE B 206 26.959 14.199 6.613 1.00 0.00 H new ATOM 0 HB ILE B 206 24.364 15.589 5.980 1.00 0.00 H new ATOM 0 HG12 ILE B 206 23.770 13.945 7.714 1.00 0.00 H new ATOM 0 HG13 ILE B 206 23.067 13.572 6.153 1.00 0.00 H new ATOM 0 HG21 ILE B 206 24.418 13.989 4.054 1.00 0.00 H new ATOM 0 HG22 ILE B 206 25.902 14.966 4.142 1.00 0.00 H new ATOM 0 HG23 ILE B 206 25.913 13.278 4.707 1.00 0.00 H new ATOM 0 HD11 ILE B 206 23.843 11.543 7.271 1.00 0.00 H new ATOM 0 HD12 ILE B 206 24.777 11.828 5.783 1.00 0.00 H new ATOM 0 HD13 ILE B 206 25.491 12.207 7.369 1.00 0.00 H new ATOM 1992 N ASP B 207 27.350 16.604 5.579 1.00 0.00 N ATOM 1993 CA ASP B 207 27.810 17.953 5.310 1.00 0.00 C ATOM 1994 C ASP B 207 26.755 18.751 4.560 1.00 0.00 C ATOM 1995 O ASP B 207 26.714 19.967 4.647 1.00 0.00 O ATOM 1996 CB ASP B 207 29.094 17.922 4.504 1.00 0.00 C ATOM 1997 CG ASP B 207 29.822 19.258 4.531 1.00 0.00 C ATOM 1998 OD1 ASP B 207 29.534 20.155 3.709 1.00 0.00 O ATOM 1999 OD2 ASP B 207 30.694 19.441 5.401 1.00 0.00 O1- ATOM 0 H ASP B 207 27.669 15.896 4.918 1.00 0.00 H new ATOM 0 HA ASP B 207 27.997 18.439 6.268 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.749 17.145 4.898 1.00 0.00 H new ATOM 0 HB3 ASP B 207 28.867 17.655 3.472 1.00 0.00 H new ATOM 2004 N ILE B 208 25.851 18.047 3.898 1.00 0.00 N ATOM 2005 CA ILE B 208 24.887 18.684 3.007 1.00 0.00 C ATOM 2006 C ILE B 208 23.907 19.553 3.784 1.00 0.00 C ATOM 2007 O ILE B 208 24.049 20.778 3.818 1.00 0.00 O ATOM 2008 CB ILE B 208 24.054 17.666 2.199 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.885 16.479 1.770 1.00 0.00 C ATOM 2010 CG2 ILE B 208 23.509 18.354 0.973 1.00 0.00 C ATOM 2011 CD1 ILE B 208 24.068 15.419 1.067 1.00 0.00 C ATOM 0 H ILE B 208 25.762 17.033 3.959 1.00 0.00 H new ATOM 0 HA ILE B 208 25.485 19.286 2.323 1.00 0.00 H new ATOM 0 HB ILE B 208 23.247 17.300 2.834 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.681 16.818 1.107 1.00 0.00 H new ATOM 0 HG13 ILE B 208 25.365 16.041 2.645 1.00 0.00 H new ATOM 0 HG21 ILE B 208 22.918 17.647 0.391 1.00 0.00 H new ATOM 0 HG22 ILE B 208 22.880 19.191 1.275 1.00 0.00 H new ATOM 0 HG23 ILE B 208 24.335 18.722 0.365 1.00 0.00 H new ATOM 0 HD11 ILE B 208 24.716 14.590 0.781 1.00 0.00 H new ATOM 0 HD12 ILE B 208 23.289 15.056 1.737 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.609 15.845 0.175 1.00 0.00 H new ATOM 2023 N MET B 209 22.935 18.885 4.439 1.00 0.00 N ATOM 2024 CA MET B 209 21.840 19.531 5.192 1.00 0.00 C ATOM 2025 C MET B 209 20.920 20.400 4.256 1.00 0.00 C ATOM 2026 O MET B 209 21.347 20.855 3.190 1.00 0.00 O ATOM 2027 CB MET B 209 22.399 20.322 6.397 1.00 0.00 C ATOM 2028 CG MET B 209 23.199 19.479 7.424 1.00 0.00 C ATOM 2029 SD MET B 209 22.210 18.556 8.659 1.00 0.00 S ATOM 2030 CE MET B 209 21.324 17.334 7.693 1.00 0.00 C ATOM 0 H MET B 209 22.888 17.866 4.460 1.00 0.00 H new ATOM 0 HA MET B 209 21.195 18.751 5.596 1.00 0.00 H new ATOM 0 HB2 MET B 209 23.044 21.117 6.022 1.00 0.00 H new ATOM 0 HB3 MET B 209 21.568 20.802 6.913 1.00 0.00 H new ATOM 0 HG2 MET B 209 23.815 18.766 6.876 1.00 0.00 H new ATOM 0 HG3 MET B 209 23.879 20.144 7.957 1.00 0.00 H new ATOM 0 HE1 MET B 209 21.117 16.461 8.312 1.00 0.00 H new ATOM 0 HE2 MET B 209 20.385 17.760 7.341 1.00 0.00 H new ATOM 0 HE3 MET B 209 21.931 17.037 6.838 1.00 0.00 H new ATOM 2040 N PRO B 210 19.635 20.571 4.604 1.00 0.00 N ATOM 2041 CA PRO B 210 18.690 21.338 3.772 1.00 0.00 C ATOM 2042 C PRO B 210 18.788 22.862 3.974 1.00 0.00 C ATOM 2043 O PRO B 210 19.372 23.341 4.975 1.00 0.00 O ATOM 2044 CB PRO B 210 17.340 20.819 4.237 1.00 0.00 C ATOM 2045 CG PRO B 210 17.542 20.471 5.671 1.00 0.00 C ATOM 2046 CD PRO B 210 18.974 20.023 5.809 1.00 0.00 C ATOM 0 HA PRO B 210 18.885 21.203 2.708 1.00 0.00 H new ATOM 0 HB2 PRO B 210 16.563 21.574 4.119 1.00 0.00 H new ATOM 0 HB3 PRO B 210 17.030 19.949 3.658 1.00 0.00 H new ATOM 0 HG2 PRO B 210 17.342 21.331 6.310 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.858 19.680 5.978 1.00 0.00 H new ATOM 0 HD2 PRO B 210 19.427 20.407 6.723 1.00 0.00 H new ATOM 0 HD3 PRO B 210 19.051 18.936 5.848 1.00 0.00 H new ATOM 2054 N ASP B 211 18.224 23.606 3.032 1.00 0.00 N ATOM 2055 CA ASP B 211 18.247 25.081 3.052 1.00 0.00 C ATOM 2056 C ASP B 211 16.899 25.677 3.403 1.00 0.00 C ATOM 2057 O ASP B 211 16.768 26.366 4.402 1.00 0.00 O ATOM 2058 CB ASP B 211 18.710 25.665 1.708 1.00 0.00 C ATOM 2059 CG ASP B 211 20.205 25.725 1.544 1.00 0.00 C ATOM 2060 OD1 ASP B 211 20.820 24.731 1.134 1.00 0.00 O1- ATOM 2061 OD2 ASP B 211 20.799 26.801 1.800 1.00 0.00 O ATOM 0 H ASP B 211 17.735 23.213 2.228 1.00 0.00 H new ATOM 0 HA ASP B 211 18.962 25.349 3.829 1.00 0.00 H new ATOM 0 HB2 ASP B 211 18.291 25.065 0.900 1.00 0.00 H new ATOM 0 HB3 ASP B 211 18.303 26.671 1.602 1.00 0.00 H new ATOM 2066 N PHE B 212 15.909 25.397 2.556 1.00 0.00 N ATOM 2067 CA PHE B 212 14.531 25.925 2.687 1.00 0.00 C ATOM 2068 C PHE B 212 14.438 27.439 2.455 1.00 0.00 C ATOM 2069 O PHE B 212 14.239 28.214 3.389 1.00 0.00 O ATOM 2070 CB PHE B 212 13.846 25.563 4.013 1.00 0.00 C ATOM 2071 CG PHE B 212 13.614 24.111 4.227 1.00 0.00 C ATOM 2072 CD1 PHE B 212 12.554 23.480 3.613 1.00 0.00 C ATOM 2073 CD2 PHE B 212 14.434 23.381 5.064 1.00 0.00 C ATOM 2074 CE1 PHE B 212 12.316 22.147 3.827 1.00 0.00 C ATOM 2075 CE2 PHE B 212 14.199 22.047 5.277 1.00 0.00 C ATOM 2076 CZ PHE B 212 13.137 21.434 4.656 1.00 0.00 C ATOM 0 H PHE B 212 16.032 24.790 1.746 1.00 0.00 H new ATOM 0 HA PHE B 212 13.989 25.420 1.888 1.00 0.00 H new ATOM 0 HB2 PHE B 212 14.454 25.943 4.834 1.00 0.00 H new ATOM 0 HB3 PHE B 212 12.887 26.079 4.062 1.00 0.00 H new ATOM 0 HD1 PHE B 212 11.905 24.041 2.957 1.00 0.00 H new ATOM 0 HD2 PHE B 212 15.266 23.864 5.554 1.00 0.00 H new ATOM 0 HE1 PHE B 212 11.482 21.661 3.342 1.00 0.00 H new ATOM 0 HE2 PHE B 212 14.846 21.480 5.930 1.00 0.00 H new ATOM 0 HZ PHE B 212 12.950 20.384 4.824 1.00 0.00 H new ATOM 2086 N SER B 213 14.585 27.842 1.218 1.00 0.00 N ATOM 2087 CA SER B 213 14.492 29.230 0.826 1.00 0.00 C ATOM 2088 C SER B 213 13.853 29.262 -0.556 1.00 0.00 C ATOM 2089 O SER B 213 13.747 28.209 -1.182 1.00 0.00 O ATOM 2090 CB SER B 213 15.906 29.843 0.777 1.00 0.00 C ATOM 2091 OG SER B 213 16.545 29.779 2.048 1.00 0.00 O ATOM 0 H SER B 213 14.775 27.208 0.442 1.00 0.00 H new ATOM 0 HA SER B 213 13.896 29.805 1.535 1.00 0.00 H new ATOM 0 HB2 SER B 213 16.508 29.314 0.038 1.00 0.00 H new ATOM 0 HB3 SER B 213 15.843 30.881 0.452 1.00 0.00 H new ATOM 0 HG SER B 213 17.440 30.174 1.985 1.00 0.00 H new ATOM 2097 N PRO B 214 13.353 30.406 -1.034 1.00 0.00 N ATOM 2098 CA PRO B 214 12.860 30.506 -2.402 1.00 0.00 C ATOM 2099 C PRO B 214 13.969 30.824 -3.356 1.00 0.00 C ATOM 2100 O PRO B 214 15.093 31.174 -2.954 1.00 0.00 O ATOM 2101 CB PRO B 214 11.979 31.735 -2.384 1.00 0.00 C ATOM 2102 CG PRO B 214 12.570 32.607 -1.327 1.00 0.00 C ATOM 2103 CD PRO B 214 13.163 31.682 -0.290 1.00 0.00 C ATOM 0 HA PRO B 214 12.378 29.577 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO B 214 11.975 32.234 -3.353 1.00 0.00 H new ATOM 0 HB3 PRO B 214 10.945 31.478 -2.154 1.00 0.00 H new ATOM 0 HG2 PRO B 214 13.335 33.261 -1.746 1.00 0.00 H new ATOM 0 HG3 PRO B 214 11.809 33.250 -0.884 1.00 0.00 H new ATOM 0 HD2 PRO B 214 14.107 32.065 0.098 1.00 0.00 H new ATOM 0 HD3 PRO B 214 12.496 31.554 0.563 1.00 0.00 H new ATOM 2111 N SER B 215 13.680 30.708 -4.588 1.00 0.00 N ATOM 2112 CA SER B 215 14.522 31.225 -5.563 1.00 0.00 C ATOM 2113 C SER B 215 14.050 32.652 -5.832 1.00 0.00 C ATOM 2114 O SER B 215 13.102 33.152 -5.217 1.00 0.00 O ATOM 2115 CB SER B 215 14.492 30.395 -6.847 1.00 0.00 C ATOM 2116 OG SER B 215 13.267 30.575 -7.550 1.00 0.00 O ATOM 0 H SER B 215 12.843 30.246 -4.944 1.00 0.00 H new ATOM 0 HA SER B 215 15.555 31.204 -5.217 1.00 0.00 H new ATOM 0 HB2 SER B 215 15.327 30.681 -7.487 1.00 0.00 H new ATOM 0 HB3 SER B 215 14.623 29.340 -6.604 1.00 0.00 H new ATOM 0 HG SER B 215 12.587 29.973 -7.182 1.00 0.00 H new ATOM 2122 N GLY B 216 14.689 33.248 -6.714 1.00 0.00 N ATOM 2123 CA GLY B 216 14.415 34.585 -7.132 1.00 0.00 C ATOM 2124 C GLY B 216 13.904 34.564 -8.534 1.00 0.00 C ATOM 2125 O GLY B 216 13.604 35.602 -9.127 1.00 0.00 O ATOM 0 H GLY B 216 15.469 32.821 -7.214 1.00 0.00 H new ATOM 0 HA2 GLY B 216 13.679 35.042 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY B 216 15.319 35.191 -7.070 1.00 0.00 H new ATOM 2129 N LEU B 217 13.815 33.360 -9.077 1.00 0.00 N ATOM 2130 CA LEU B 217 13.269 33.153 -10.389 1.00 0.00 C ATOM 2131 C LEU B 217 11.795 33.304 -10.241 1.00 0.00 C ATOM 2132 O LEU B 217 11.149 34.091 -10.905 1.00 0.00 O ATOM 2133 CB LEU B 217 13.505 31.701 -10.855 1.00 0.00 C ATOM 2134 CG LEU B 217 14.908 31.126 -10.732 1.00 0.00 C ATOM 2135 CD1 LEU B 217 14.931 29.710 -11.236 1.00 0.00 C ATOM 2136 CD2 LEU B 217 15.898 31.959 -11.477 1.00 0.00 C ATOM 0 H LEU B 217 14.122 32.505 -8.612 1.00 0.00 H new ATOM 0 HA LEU B 217 13.724 33.846 -11.097 1.00 0.00 H new ATOM 0 HB2 LEU B 217 12.830 31.057 -10.291 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.209 31.635 -11.902 1.00 0.00 H new ATOM 0 HG LEU B 217 15.189 31.133 -9.679 1.00 0.00 H new ATOM 0 HD11 LEU B 217 15.940 29.307 -11.144 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.243 29.103 -10.648 1.00 0.00 H new ATOM 0 HD13 LEU B 217 14.627 29.691 -12.283 1.00 0.00 H new ATOM 0 HD21 LEU B 217 16.892 31.524 -11.371 1.00 0.00 H new ATOM 0 HD22 LEU B 217 15.626 31.991 -12.532 1.00 0.00 H new ATOM 0 HD23 LEU B 217 15.900 32.971 -11.072 1.00 0.00 H new ATOM 2148 N LEU B 218 11.321 32.584 -9.263 1.00 0.00 N ATOM 2149 CA LEU B 218 9.937 32.381 -8.964 1.00 0.00 C ATOM 2150 C LEU B 218 9.151 33.683 -8.778 1.00 0.00 C ATOM 2151 O LEU B 218 8.009 33.798 -9.236 1.00 0.00 O ATOM 2152 CB LEU B 218 9.864 31.506 -7.739 1.00 0.00 C ATOM 2153 CG LEU B 218 8.840 30.362 -7.834 1.00 0.00 C ATOM 2154 CD1 LEU B 218 9.135 29.456 -9.003 1.00 0.00 C ATOM 2155 CD2 LEU B 218 8.813 29.557 -6.585 1.00 0.00 C ATOM 0 H LEU B 218 11.934 32.093 -8.613 1.00 0.00 H new ATOM 0 HA LEU B 218 9.460 31.898 -9.816 1.00 0.00 H new ATOM 0 HB2 LEU B 218 10.850 31.080 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU B 218 9.617 32.127 -6.878 1.00 0.00 H new ATOM 0 HG LEU B 218 7.864 30.824 -7.981 1.00 0.00 H new ATOM 0 HD11 LEU B 218 8.393 28.658 -9.041 1.00 0.00 H new ATOM 0 HD12 LEU B 218 9.097 30.032 -9.928 1.00 0.00 H new ATOM 0 HD13 LEU B 218 10.128 29.022 -8.886 1.00 0.00 H new ATOM 0 HD21 LEU B 218 8.080 28.757 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU B 218 9.799 29.126 -6.408 1.00 0.00 H new ATOM 0 HD23 LEU B 218 8.541 30.197 -5.746 1.00 0.00 H new ATOM 2167 N GLU B 219 9.779 34.668 -8.169 1.00 0.00 N ATOM 2168 CA GLU B 219 9.152 35.965 -7.941 1.00 0.00 C ATOM 2169 C GLU B 219 8.955 36.742 -9.253 1.00 0.00 C ATOM 2170 O GLU B 219 8.169 37.685 -9.314 1.00 0.00 O ATOM 2171 CB GLU B 219 9.964 36.777 -6.927 1.00 0.00 C ATOM 2172 CG GLU B 219 11.403 37.015 -7.341 1.00 0.00 C ATOM 2173 CD GLU B 219 12.228 37.656 -6.262 1.00 0.00 C ATOM 2174 OE1 GLU B 219 12.265 38.887 -6.177 1.00 0.00 O1- ATOM 2175 OE2 GLU B 219 12.876 36.938 -5.487 1.00 0.00 O ATOM 0 H GLU B 219 10.734 34.598 -7.818 1.00 0.00 H new ATOM 0 HA GLU B 219 8.159 35.791 -7.526 1.00 0.00 H new ATOM 0 HB2 GLU B 219 9.476 37.740 -6.774 1.00 0.00 H new ATOM 0 HB3 GLU B 219 9.953 36.258 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU B 219 11.857 36.064 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU B 219 11.420 37.649 -8.228 1.00 0.00 H new ATOM 2182 N LEU B 220 9.659 36.332 -10.292 1.00 0.00 N ATOM 2183 CA LEU B 220 9.555 36.956 -11.603 1.00 0.00 C ATOM 2184 C LEU B 220 8.744 36.071 -12.544 1.00 0.00 C ATOM 2185 O LEU B 220 8.230 36.534 -13.562 1.00 0.00 O ATOM 2186 CB LEU B 220 10.951 37.170 -12.195 1.00 0.00 C ATOM 2187 CG LEU B 220 11.920 38.030 -11.379 1.00 0.00 C ATOM 2188 CD1 LEU B 220 13.270 38.090 -12.063 1.00 0.00 C ATOM 2189 CD2 LEU B 220 11.369 39.433 -11.182 1.00 0.00 C ATOM 0 H LEU B 220 10.320 35.556 -10.253 1.00 0.00 H new ATOM 0 HA LEU B 220 9.055 37.918 -11.489 1.00 0.00 H new ATOM 0 HB2 LEU B 220 11.409 36.193 -12.348 1.00 0.00 H new ATOM 0 HB3 LEU B 220 10.837 37.626 -13.179 1.00 0.00 H new ATOM 0 HG LEU B 220 12.039 37.570 -10.398 1.00 0.00 H new ATOM 0 HD11 LEU B 220 13.950 38.704 -11.473 1.00 0.00 H new ATOM 0 HD12 LEU B 220 13.677 37.083 -12.154 1.00 0.00 H new ATOM 0 HD13 LEU B 220 13.156 38.526 -13.056 1.00 0.00 H new ATOM 0 HD21 LEU B 220 12.076 40.023 -10.599 1.00 0.00 H new ATOM 0 HD22 LEU B 220 11.217 39.904 -12.153 1.00 0.00 H new ATOM 0 HD23 LEU B 220 10.418 39.379 -10.652 1.00 0.00 H new ATOM 2201 N GLU B 221 8.619 34.805 -12.183 1.00 0.00 N ATOM 2202 CA GLU B 221 7.926 33.820 -13.014 1.00 0.00 C ATOM 2203 C GLU B 221 6.421 33.886 -12.831 1.00 0.00 C ATOM 2204 O GLU B 221 5.670 33.261 -13.586 1.00 0.00 O ATOM 2205 CB GLU B 221 8.407 32.408 -12.697 1.00 0.00 C ATOM 2206 CG GLU B 221 9.899 32.180 -12.909 1.00 0.00 C ATOM 2207 CD GLU B 221 10.358 32.481 -14.309 1.00 0.00 C ATOM 2208 OE1 GLU B 221 10.596 33.653 -14.641 1.00 0.00 O1- ATOM 2209 OE2 GLU B 221 10.486 31.546 -15.116 1.00 0.00 O ATOM 0 H GLU B 221 8.991 34.427 -11.312 1.00 0.00 H new ATOM 0 HA GLU B 221 8.160 34.062 -14.051 1.00 0.00 H new ATOM 0 HB2 GLU B 221 8.162 32.180 -11.660 1.00 0.00 H new ATOM 0 HB3 GLU B 221 7.854 31.703 -13.317 1.00 0.00 H new ATOM 0 HG2 GLU B 221 10.457 32.803 -12.210 1.00 0.00 H new ATOM 0 HG3 GLU B 221 10.138 31.143 -12.672 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.354 22.921 0.228 1.00 0.00 N ATOM 2462 CA PRO C 315 -3.041 23.443 -0.160 1.00 0.00 C ATOM 2463 C PRO C 315 -2.129 23.619 1.063 1.00 0.00 C ATOM 2464 O PRO C 315 -2.612 23.877 2.178 1.00 0.00 O ATOM 2465 CB PRO C 315 -3.361 24.811 -0.787 1.00 0.00 C ATOM 2466 CG PRO C 315 -4.690 25.189 -0.238 1.00 0.00 C ATOM 2467 CD PRO C 315 -5.432 23.903 -0.017 1.00 0.00 C ATOM 0 HA PRO C 315 -2.512 22.772 -0.837 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -2.603 25.550 -0.528 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -3.387 24.749 -1.875 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -4.583 25.742 0.695 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -5.228 25.835 -0.931 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -6.112 23.973 0.832 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -6.033 23.632 -0.885 1.00 0.00 H new ATOM 2475 N GLY C 316 -0.835 23.485 0.850 1.00 0.00 N ATOM 2476 CA GLY C 316 0.122 23.587 1.934 1.00 0.00 C ATOM 2477 C GLY C 316 0.253 24.999 2.480 1.00 0.00 C ATOM 2478 O GLY C 316 -0.070 25.985 1.787 1.00 0.00 O ATOM 0 H GLY C 316 -0.422 23.305 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -0.178 22.918 2.740 1.00 0.00 H new ATOM 0 HA3 GLY C 316 1.097 23.247 1.584 1.00 0.00 H new ATOM 2482 N SER C 317 0.781 25.117 3.688 1.00 0.00 N ATOM 2483 CA SER C 317 0.907 26.401 4.352 1.00 0.00 C ATOM 2484 C SER C 317 2.046 27.241 3.729 1.00 0.00 C ATOM 2485 O SER C 317 2.182 28.429 4.034 1.00 0.00 O ATOM 2486 CB SER C 317 1.107 26.199 5.880 1.00 0.00 C ATOM 2487 OG SER C 317 1.177 27.435 6.593 1.00 0.00 O ATOM 0 H SER C 317 1.132 24.329 4.232 1.00 0.00 H new ATOM 0 HA SER C 317 -0.017 26.961 4.206 1.00 0.00 H new ATOM 0 HB2 SER C 317 0.285 25.602 6.275 1.00 0.00 H new ATOM 0 HB3 SER C 317 2.022 25.633 6.051 1.00 0.00 H new ATOM 0 HG SER C 317 1.520 28.136 6.000 1.00 0.00 H new ATOM 2493 N ARG C 318 2.843 26.633 2.855 1.00 0.00 N ATOM 2494 CA ARG C 318 3.926 27.347 2.191 1.00 0.00 C ATOM 2495 C ARG C 318 3.557 27.739 0.780 1.00 0.00 C ATOM 2496 O ARG C 318 4.405 28.170 -0.010 1.00 0.00 O ATOM 2497 CB ARG C 318 5.228 26.562 2.233 1.00 0.00 C ATOM 2498 CG ARG C 318 5.695 26.351 3.646 1.00 0.00 C ATOM 2499 CD ARG C 318 7.058 25.729 3.726 1.00 0.00 C ATOM 2500 NE ARG C 318 7.493 25.601 5.120 1.00 0.00 N ATOM 2501 CZ ARG C 318 8.759 25.706 5.546 1.00 0.00 C ATOM 2502 NH1 ARG C 318 9.740 25.966 4.684 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 9.029 25.590 6.840 1.00 0.00 N ATOM 0 H ARG C 318 2.759 25.651 2.592 1.00 0.00 H new ATOM 0 HA ARG C 318 4.088 28.270 2.748 1.00 0.00 H new ATOM 0 HB2 ARG C 318 5.089 25.597 1.746 1.00 0.00 H new ATOM 0 HB3 ARG C 318 5.994 27.095 1.670 1.00 0.00 H new ATOM 0 HG2 ARG C 318 5.708 27.309 4.166 1.00 0.00 H new ATOM 0 HG3 ARG C 318 4.980 25.715 4.168 1.00 0.00 H new ATOM 0 HD2 ARG C 318 7.042 24.747 3.254 1.00 0.00 H new ATOM 0 HD3 ARG C 318 7.773 26.337 3.172 1.00 0.00 H new ATOM 0 HE ARG C 318 6.775 25.418 5.821 1.00 0.00 H new ATOM 0 HH11 ARG C 318 9.530 26.086 3.693 1.00 0.00 H new ATOM 0 HH12 ARG C 318 10.702 26.045 5.014 1.00 0.00 H new ATOM 0 HH21 ARG C 318 8.274 25.422 7.505 1.00 0.00 H new ATOM 0 HH22 ARG C 318 9.991 25.669 7.169 1.00 0.00 H new ATOM 2517 N TRP C 319 2.298 27.581 0.454 1.00 0.00 N ATOM 2518 CA TRP C 319 1.804 28.065 -0.797 1.00 0.00 C ATOM 2519 C TRP C 319 1.566 29.552 -0.652 1.00 0.00 C ATOM 2520 O TRP C 319 0.594 29.976 -0.024 1.00 0.00 O ATOM 2521 CB TRP C 319 0.534 27.320 -1.230 1.00 0.00 C ATOM 2522 CG TRP C 319 -0.056 27.817 -2.509 1.00 0.00 C ATOM 2523 CD1 TRP C 319 0.584 27.989 -3.701 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -1.417 28.174 -2.729 1.00 0.00 C ATOM 2525 NE1 TRP C 319 -0.290 28.465 -4.635 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -1.530 28.574 -4.069 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -2.553 28.198 -1.919 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -2.733 28.994 -4.619 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -3.746 28.609 -2.466 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -3.827 29.000 -3.805 1.00 0.00 C ATOM 0 H TRP C 319 1.603 27.121 1.041 1.00 0.00 H new ATOM 0 HA TRP C 319 2.535 27.883 -1.585 1.00 0.00 H new ATOM 0 HB2 TRP C 319 0.765 26.260 -1.336 1.00 0.00 H new ATOM 0 HB3 TRP C 319 -0.212 27.406 -0.440 1.00 0.00 H new ATOM 0 HD1 TRP C 319 1.628 27.779 -3.880 1.00 0.00 H new ATOM 0 HE1 TRP C 319 -0.056 28.701 -5.599 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -2.496 27.900 -0.883 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -2.800 29.304 -5.651 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -4.634 28.630 -1.851 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -4.780 29.315 -4.205 1.00 0.00 H new ATOM 2541 N ASP C 320 2.511 30.314 -1.167 1.00 0.00 N ATOM 2542 CA ASP C 320 2.519 31.787 -1.113 1.00 0.00 C ATOM 2543 C ASP C 320 1.215 32.402 -1.619 1.00 0.00 C ATOM 2544 O ASP C 320 0.668 33.326 -1.008 1.00 0.00 O ATOM 2545 CB ASP C 320 3.704 32.322 -1.924 1.00 0.00 C ATOM 2546 CG ASP C 320 3.734 33.833 -2.024 1.00 0.00 C ATOM 2547 OD1 ASP C 320 4.185 34.503 -1.074 1.00 0.00 O ATOM 2548 OD2 ASP C 320 3.358 34.371 -3.071 1.00 0.00 O1- ATOM 0 H ASP C 320 3.322 29.928 -1.650 1.00 0.00 H new ATOM 0 HA ASP C 320 2.619 32.076 -0.067 1.00 0.00 H new ATOM 0 HB2 ASP C 320 4.632 31.977 -1.467 1.00 0.00 H new ATOM 0 HB3 ASP C 320 3.667 31.900 -2.928 1.00 0.00 H new ATOM 2553 N GLY C 321 0.700 31.864 -2.696 1.00 0.00 N ATOM 2554 CA GLY C 321 -0.517 32.391 -3.261 1.00 0.00 C ATOM 2555 C GLY C 321 -0.473 32.347 -4.749 1.00 0.00 C ATOM 2556 O GLY C 321 -1.514 32.396 -5.411 1.00 0.00 O ATOM 0 H GLY C 321 1.099 31.069 -3.195 1.00 0.00 H new ATOM 0 HA2 GLY C 321 -1.369 31.815 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY C 321 -0.663 33.418 -2.927 1.00 0.00 H new