USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot -110:sc= -5.14! USER MOD Single : A 21 TYR OH : rot 180:sc= -0.717 USER MOD Single : A 22 ASN :FLIP amide:sc= -1.08 F(o=-2,f=-1.1) USER MOD Single : A 35 THR OG1 : rot -73:sc= 0.235 USER MOD Single : A 38 TYR OH : rot -93:sc= 0.914 USER MOD Single : A 42 THR OG1 : rot -27:sc= 0.509 USER MOD Single : A 48 GLN : amide:sc= -0.0219 K(o=-0.022,f=-0.55) USER MOD Single : A 52 TYR OH : rot -27:sc= 0.157 USER MOD Single : A 53 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 54 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.015) USER MOD Single : A 57 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.65) USER MOD Single : A 58 GLN : amide:sc= -1.82 K(o=-1.8,f=-6.9!) USER MOD Single : A 59 CYS SG : rot 132:sc= -0.504 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 87 THR OG1 : rot -64:sc= 0.985 USER MOD Single : A 94 SER OG : rot 180:sc= 0.00155 USER MOD Single : A 97 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.5!) USER MOD Single : A 100 LYS NZ :NH3+ -127:sc= -0.0444 (180deg=-0.154) USER MOD Single : A 101 THR OG1 : rot 71:sc= 0.457 USER MOD Single : A 103 THR OG1 : rot 95:sc= 0.038 USER MOD Single : A 105 LYS NZ :NH3+ -116:sc= -0.34! (180deg=-2.83!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.486 K(o=-0.49,f=-1.2) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LYS A 11 -10.341 9.244 8.595 1.00 0.00 N ATOM 117 CA LYS A 11 -9.143 9.717 9.282 1.00 0.00 C ATOM 118 C LYS A 11 -8.011 8.702 9.161 1.00 0.00 C ATOM 119 O LYS A 11 -8.197 7.613 8.618 1.00 0.00 O ATOM 120 CB LYS A 11 -9.449 9.982 10.758 1.00 0.00 C ATOM 121 CG LYS A 11 -10.391 11.152 10.983 1.00 0.00 C ATOM 122 CD LYS A 11 -9.655 12.480 10.922 1.00 0.00 C ATOM 123 CE LYS A 11 -8.928 12.775 12.225 1.00 0.00 C ATOM 124 NZ LYS A 11 -9.813 13.453 13.213 1.00 0.00 N ATOM 0 HA LYS A 11 -8.826 10.647 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.886 9.085 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.514 10.172 11.286 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.178 11.136 10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.876 11.048 11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.939 12.463 10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.364 13.281 10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.554 11.844 12.651 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.061 13.404 12.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.281 13.637 14.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.150 14.354 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.628 12.842 13.426 1.00 0.00 H new ATOM 138 N ILE A 12 -6.839 9.066 9.670 1.00 0.00 N ATOM 139 CA ILE A 12 -5.679 8.187 9.620 1.00 0.00 C ATOM 140 C ILE A 12 -4.832 8.321 10.882 1.00 0.00 C ATOM 141 O ILE A 12 -4.687 9.414 11.430 1.00 0.00 O ATOM 142 CB ILE A 12 -4.799 8.484 8.392 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.541 7.613 8.415 1.00 0.00 C ATOM 144 CG2 ILE A 12 -4.428 9.959 8.350 1.00 0.00 C ATOM 145 CD1 ILE A 12 -2.735 7.682 7.138 1.00 0.00 C ATOM 0 H ILE A 12 -6.668 9.964 10.122 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.059 7.168 9.546 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.366 8.246 7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.911 7.921 9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.829 6.578 8.598 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.806 10.153 7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.335 10.561 8.291 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.877 10.221 9.253 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.858 7.040 7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.348 7.346 6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.416 8.710 6.964 1.00 0.00 H new ATOM 157 N ASP A 13 -4.275 7.204 11.337 1.00 0.00 N ATOM 158 CA ASP A 13 -3.440 7.198 12.532 1.00 0.00 C ATOM 159 C ASP A 13 -2.014 7.628 12.201 1.00 0.00 C ATOM 160 O ASP A 13 -1.048 6.999 12.633 1.00 0.00 O ATOM 161 CB ASP A 13 -3.432 5.805 13.166 1.00 0.00 C ATOM 162 CG ASP A 13 -4.507 5.644 14.223 1.00 0.00 C ATOM 163 OD1 ASP A 13 -5.587 6.252 14.070 1.00 0.00 O ATOM 164 OD2 ASP A 13 -4.268 4.909 15.204 1.00 0.00 O ATOM 0 H ASP A 13 -4.387 6.291 10.896 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.859 7.911 13.242 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.575 5.054 12.389 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.456 5.618 13.613 1.00 0.00 H new ATOM 169 N LYS A 14 -1.891 8.705 11.432 1.00 0.00 N ATOM 170 CA LYS A 14 -0.584 9.221 11.044 1.00 0.00 C ATOM 171 C LYS A 14 0.493 8.771 12.026 1.00 0.00 C ATOM 172 O LYS A 14 1.535 8.255 11.624 1.00 0.00 O ATOM 173 CB LYS A 14 -0.617 10.749 10.972 1.00 0.00 C ATOM 174 CG LYS A 14 -0.962 11.287 9.594 1.00 0.00 C ATOM 175 CD LYS A 14 -0.635 12.765 9.474 1.00 0.00 C ATOM 176 CE LYS A 14 0.804 12.983 9.027 1.00 0.00 C ATOM 177 NZ LYS A 14 1.294 14.344 9.383 1.00 0.00 N ATOM 0 H LYS A 14 -2.680 9.237 11.066 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.342 8.822 10.059 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.346 11.122 11.691 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.356 11.139 11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.411 10.729 8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.023 11.131 9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.314 13.232 8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.797 13.254 10.435 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.446 12.233 9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.875 12.842 7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.277 14.454 9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.697 15.060 8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.250 14.470 10.414 1.00 0.00 H new ATOM 191 N GLU A 15 0.234 8.969 13.314 1.00 0.00 N ATOM 192 CA GLU A 15 1.181 8.582 14.353 1.00 0.00 C ATOM 193 C GLU A 15 1.603 7.124 14.189 1.00 0.00 C ATOM 194 O GLU A 15 2.783 6.824 14.021 1.00 0.00 O ATOM 195 CB GLU A 15 0.570 8.795 15.739 1.00 0.00 C ATOM 196 CG GLU A 15 -0.827 8.213 15.884 1.00 0.00 C ATOM 197 CD GLU A 15 -1.623 8.876 16.991 1.00 0.00 C ATOM 198 OE1 GLU A 15 -1.630 10.123 17.050 1.00 0.00 O ATOM 199 OE2 GLU A 15 -2.239 8.148 17.797 1.00 0.00 O ATOM 0 H GLU A 15 -0.624 9.395 13.663 1.00 0.00 H new ATOM 0 HA GLU A 15 2.065 9.212 14.254 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.222 8.344 16.487 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.533 9.864 15.950 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.362 8.323 14.941 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.752 7.144 16.085 1.00 0.00 H new ATOM 206 N ALA A 16 0.627 6.224 14.240 1.00 0.00 N ATOM 207 CA ALA A 16 0.894 4.798 14.097 1.00 0.00 C ATOM 208 C ALA A 16 1.358 4.466 12.683 1.00 0.00 C ATOM 209 O ALA A 16 2.184 3.575 12.483 1.00 0.00 O ATOM 210 CB ALA A 16 -0.344 3.990 14.452 1.00 0.00 C ATOM 0 H ALA A 16 -0.356 6.457 14.379 1.00 0.00 H new ATOM 0 HA ALA A 16 1.696 4.533 14.786 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.129 2.927 14.340 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.630 4.196 15.484 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.162 4.267 13.787 1.00 0.00 H new ATOM 216 N CYS A 17 0.820 5.188 11.705 1.00 0.00 N ATOM 217 CA CYS A 17 1.178 4.968 10.309 1.00 0.00 C ATOM 218 C CYS A 17 2.665 5.220 10.082 1.00 0.00 C ATOM 219 O CYS A 17 3.410 4.313 9.708 1.00 0.00 O ATOM 220 CB CYS A 17 0.350 5.876 9.399 1.00 0.00 C ATOM 221 SG CYS A 17 -1.429 5.820 9.722 1.00 0.00 S ATOM 0 H CYS A 17 0.135 5.929 11.854 1.00 0.00 H new ATOM 0 HA CYS A 17 0.963 3.928 10.065 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.697 6.903 9.515 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.529 5.594 8.362 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.031 5.227 8.734 1.00 0.00 H new ATOM 227 N ARG A 18 3.091 6.459 10.307 1.00 0.00 N ATOM 228 CA ARG A 18 4.488 6.831 10.125 1.00 0.00 C ATOM 229 C ARG A 18 5.415 5.766 10.702 1.00 0.00 C ATOM 230 O ARG A 18 6.458 5.459 10.127 1.00 0.00 O ATOM 231 CB ARG A 18 4.769 8.182 10.789 1.00 0.00 C ATOM 232 CG ARG A 18 6.248 8.522 10.873 1.00 0.00 C ATOM 233 CD ARG A 18 6.466 9.918 11.435 1.00 0.00 C ATOM 234 NE ARG A 18 6.090 10.009 12.842 1.00 0.00 N ATOM 235 CZ ARG A 18 6.584 10.914 13.679 1.00 0.00 C ATOM 236 NH1 ARG A 18 7.472 11.801 13.252 1.00 0.00 N ATOM 237 NH2 ARG A 18 6.191 10.931 14.946 1.00 0.00 N ATOM 0 H ARG A 18 2.488 7.222 10.616 1.00 0.00 H new ATOM 0 HA ARG A 18 4.679 6.912 9.055 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.256 8.965 10.231 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.348 8.178 11.794 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.755 7.791 11.503 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.695 8.453 9.881 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.514 10.194 11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.883 10.636 10.857 1.00 0.00 H new ATOM 0 HE ARG A 18 5.410 9.340 13.203 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.777 11.789 12.279 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.850 12.495 13.897 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.509 10.249 15.278 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.571 11.626 15.588 1.00 0.00 H new ATOM 251 N ALA A 19 5.026 5.207 11.844 1.00 0.00 N ATOM 252 CA ALA A 19 5.822 4.175 12.498 1.00 0.00 C ATOM 253 C ALA A 19 6.060 2.992 11.566 1.00 0.00 C ATOM 254 O ALA A 19 7.200 2.580 11.351 1.00 0.00 O ATOM 255 CB ALA A 19 5.136 3.713 13.776 1.00 0.00 C ATOM 0 H ALA A 19 4.166 5.451 12.335 1.00 0.00 H new ATOM 0 HA ALA A 19 6.791 4.604 12.752 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.740 2.942 14.255 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.022 4.559 14.454 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.154 3.306 13.535 1.00 0.00 H new ATOM 261 N ALA A 20 4.979 2.450 11.017 1.00 0.00 N ATOM 262 CA ALA A 20 5.071 1.316 10.106 1.00 0.00 C ATOM 263 C ALA A 20 5.842 1.686 8.844 1.00 0.00 C ATOM 264 O ALA A 20 6.702 0.932 8.386 1.00 0.00 O ATOM 265 CB ALA A 20 3.681 0.810 9.749 1.00 0.00 C ATOM 0 H ALA A 20 4.028 2.778 11.187 1.00 0.00 H new ATOM 0 HA ALA A 20 5.616 0.519 10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.766 -0.037 9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.164 0.496 10.656 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.116 1.608 9.267 1.00 0.00 H new ATOM 271 N TYR A 21 5.529 2.849 8.285 1.00 0.00 N ATOM 272 CA TYR A 21 6.190 3.318 7.073 1.00 0.00 C ATOM 273 C TYR A 21 7.690 3.489 7.302 1.00 0.00 C ATOM 274 O TYR A 21 8.476 3.494 6.357 1.00 0.00 O ATOM 275 CB TYR A 21 5.579 4.642 6.613 1.00 0.00 C ATOM 276 CG TYR A 21 6.540 5.516 5.838 1.00 0.00 C ATOM 277 CD1 TYR A 21 6.719 5.344 4.471 1.00 0.00 C ATOM 278 CD2 TYR A 21 7.268 6.514 6.474 1.00 0.00 C ATOM 279 CE1 TYR A 21 7.596 6.140 3.761 1.00 0.00 C ATOM 280 CE2 TYR A 21 8.146 7.315 5.771 1.00 0.00 C ATOM 281 CZ TYR A 21 8.307 7.125 4.415 1.00 0.00 C ATOM 282 OH TYR A 21 9.181 7.921 3.710 1.00 0.00 O ATOM 0 H TYR A 21 4.821 3.485 8.652 1.00 0.00 H new ATOM 0 HA TYR A 21 6.042 2.568 6.296 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.708 4.434 5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.224 5.191 7.485 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.163 4.575 3.955 1.00 0.00 H new ATOM 0 HD2 TYR A 21 7.145 6.666 7.536 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.725 5.992 2.699 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.704 8.087 6.281 1.00 0.00 H new ATOM 0 HH TYR A 21 9.600 8.565 4.318 1.00 0.00 H new ATOM 292 N ASN A 22 8.076 3.630 8.566 1.00 0.00 N ATOM 293 CA ASN A 22 9.480 3.802 8.921 1.00 0.00 C ATOM 294 C ASN A 22 10.169 2.451 9.088 1.00 0.00 C ATOM 295 O ASN A 22 11.255 2.227 8.555 1.00 0.00 O ATOM 296 CB ASN A 22 9.605 4.613 10.213 1.00 0.00 C ATOM 297 CG ASN A 22 9.509 6.107 9.969 1.00 0.00 C ATOM 298 OD1 ASN A 22 8.776 6.801 10.832 1.00 0.00 O flip ATOM 299 ND2 ASN A 22 10.086 6.630 9.016 1.00 0.00 N flip ATOM 0 H ASN A 22 7.437 3.629 9.361 1.00 0.00 H new ATOM 0 HA ASN A 22 9.970 4.342 8.111 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.821 4.310 10.907 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.558 4.386 10.691 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.639 6.058 8.378 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.012 7.636 8.864 1.00 0.00 H new ATOM 306 N LEU A 23 9.528 1.554 9.830 1.00 0.00 N ATOM 307 CA LEU A 23 10.079 0.225 10.067 1.00 0.00 C ATOM 308 C LEU A 23 10.516 -0.424 8.757 1.00 0.00 C ATOM 309 O LEU A 23 11.298 -1.374 8.753 1.00 0.00 O ATOM 310 CB LEU A 23 9.045 -0.660 10.768 1.00 0.00 C ATOM 311 CG LEU A 23 9.180 -0.732 12.289 1.00 0.00 C ATOM 312 CD1 LEU A 23 10.464 -1.449 12.677 1.00 0.00 C ATOM 313 CD2 LEU A 23 9.144 0.663 12.894 1.00 0.00 C ATOM 0 H LEU A 23 8.627 1.723 10.277 1.00 0.00 H new ATOM 0 HA LEU A 23 10.953 0.330 10.709 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.049 -0.291 10.524 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.119 -1.669 10.364 1.00 0.00 H new ATOM 0 HG LEU A 23 8.337 -1.300 12.683 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.543 -1.491 13.763 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.451 -2.462 12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.319 -0.909 12.271 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.241 0.592 13.977 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.967 1.255 12.493 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.198 1.143 12.645 1.00 0.00 H new ATOM 325 N VAL A 24 10.004 0.096 7.646 1.00 0.00 N ATOM 326 CA VAL A 24 10.341 -0.431 6.329 1.00 0.00 C ATOM 327 C VAL A 24 11.261 0.522 5.574 1.00 0.00 C ATOM 328 O VAL A 24 12.174 0.092 4.870 1.00 0.00 O ATOM 329 CB VAL A 24 9.078 -0.684 5.485 1.00 0.00 C ATOM 330 CG1 VAL A 24 9.425 -0.733 4.005 1.00 0.00 C ATOM 331 CG2 VAL A 24 8.393 -1.969 5.923 1.00 0.00 C ATOM 0 H VAL A 24 9.354 0.882 7.632 1.00 0.00 H new ATOM 0 HA VAL A 24 10.857 -1.378 6.490 1.00 0.00 H new ATOM 0 HB VAL A 24 8.385 0.142 5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.520 -0.913 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.867 0.217 3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.137 -1.538 3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.503 -2.132 5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.077 -2.808 5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.107 -1.890 6.972 1.00 0.00 H new ATOM 341 N ARG A 25 11.014 1.819 5.728 1.00 0.00 N ATOM 342 CA ARG A 25 11.820 2.835 5.061 1.00 0.00 C ATOM 343 C ARG A 25 13.250 2.829 5.591 1.00 0.00 C ATOM 344 O ARG A 25 14.198 3.092 4.852 1.00 0.00 O ATOM 345 CB ARG A 25 11.198 4.218 5.256 1.00 0.00 C ATOM 346 CG ARG A 25 12.221 5.321 5.474 1.00 0.00 C ATOM 347 CD ARG A 25 11.572 6.696 5.455 1.00 0.00 C ATOM 348 NE ARG A 25 12.562 7.769 5.469 1.00 0.00 N ATOM 349 CZ ARG A 25 13.260 8.139 4.401 1.00 0.00 C ATOM 350 NH1 ARG A 25 13.077 7.525 3.241 1.00 0.00 N ATOM 351 NH2 ARG A 25 14.144 9.125 4.494 1.00 0.00 N ATOM 0 H ARG A 25 10.262 2.191 6.309 1.00 0.00 H new ATOM 0 HA ARG A 25 11.845 2.602 3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.594 4.462 4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.523 4.186 6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.724 5.168 6.429 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.985 5.268 4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.948 6.790 4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.914 6.798 6.318 1.00 0.00 H new ATOM 0 HE ARG A 25 12.727 8.262 6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.399 6.767 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.614 7.811 2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.288 9.599 5.386 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.680 9.409 3.674 1.00 0.00 H new ATOM 365 N ASP A 26 13.397 2.528 6.877 1.00 0.00 N ATOM 366 CA ASP A 26 14.712 2.487 7.507 1.00 0.00 C ATOM 367 C ASP A 26 15.634 1.513 6.780 1.00 0.00 C ATOM 368 O ASP A 26 15.171 0.588 6.111 1.00 0.00 O ATOM 369 CB ASP A 26 14.584 2.087 8.978 1.00 0.00 C ATOM 370 CG ASP A 26 15.931 1.888 9.643 1.00 0.00 C ATOM 371 OD1 ASP A 26 16.868 2.650 9.325 1.00 0.00 O ATOM 372 OD2 ASP A 26 16.050 0.970 10.482 1.00 0.00 O ATOM 0 H ASP A 26 12.622 2.309 7.503 1.00 0.00 H new ATOM 0 HA ASP A 26 15.148 3.484 7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.028 2.856 9.514 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.006 1.166 9.052 1.00 0.00 H new ATOM 417 N VAL A 31 11.995 -5.046 8.511 1.00 0.00 N ATOM 418 CA VAL A 31 10.708 -4.963 7.830 1.00 0.00 C ATOM 419 C VAL A 31 10.868 -4.394 6.425 1.00 0.00 C ATOM 420 O VAL A 31 11.568 -3.401 6.221 1.00 0.00 O ATOM 421 CB VAL A 31 9.712 -4.090 8.616 1.00 0.00 C ATOM 422 CG1 VAL A 31 8.290 -4.339 8.138 1.00 0.00 C ATOM 423 CG2 VAL A 31 9.835 -4.354 10.108 1.00 0.00 C ATOM 0 HA VAL A 31 10.316 -5.978 7.766 1.00 0.00 H new ATOM 0 HB VAL A 31 9.952 -3.042 8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.601 -3.713 8.705 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.214 -4.094 7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.034 -5.388 8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.124 -3.729 10.648 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.622 -5.404 10.311 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.847 -4.119 10.437 1.00 0.00 H new ATOM 433 N ILE A 32 10.212 -5.028 5.458 1.00 0.00 N ATOM 434 CA ILE A 32 10.280 -4.583 4.072 1.00 0.00 C ATOM 435 C ILE A 32 8.892 -4.253 3.532 1.00 0.00 C ATOM 436 O ILE A 32 8.756 -3.559 2.524 1.00 0.00 O ATOM 437 CB ILE A 32 10.928 -5.650 3.169 1.00 0.00 C ATOM 438 CG1 ILE A 32 9.916 -6.745 2.828 1.00 0.00 C ATOM 439 CG2 ILE A 32 12.153 -6.244 3.849 1.00 0.00 C ATOM 440 CD1 ILE A 32 10.377 -7.671 1.725 1.00 0.00 C ATOM 0 H ILE A 32 9.628 -5.851 5.609 1.00 0.00 H new ATOM 0 HA ILE A 32 10.896 -3.684 4.059 1.00 0.00 H new ATOM 0 HB ILE A 32 11.246 -5.176 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.713 -7.332 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.976 -6.280 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.601 -6.996 3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.879 -5.455 4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.858 -6.707 4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.610 -8.422 1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.553 -7.095 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.301 -8.164 2.026 1.00 0.00 H new ATOM 452 N TRP A 33 7.865 -4.752 4.210 1.00 0.00 N ATOM 453 CA TRP A 33 6.487 -4.508 3.801 1.00 0.00 C ATOM 454 C TRP A 33 5.606 -4.202 5.006 1.00 0.00 C ATOM 455 O TRP A 33 5.784 -4.780 6.079 1.00 0.00 O ATOM 456 CB TRP A 33 5.936 -5.719 3.044 1.00 0.00 C ATOM 457 CG TRP A 33 5.865 -6.959 3.883 1.00 0.00 C ATOM 458 CD1 TRP A 33 6.734 -8.012 3.865 1.00 0.00 C ATOM 459 CD2 TRP A 33 4.867 -7.276 4.859 1.00 0.00 C ATOM 460 NE1 TRP A 33 6.337 -8.965 4.773 1.00 0.00 N ATOM 461 CE2 TRP A 33 5.195 -8.536 5.396 1.00 0.00 C ATOM 462 CE3 TRP A 33 3.730 -6.618 5.335 1.00 0.00 C ATOM 463 CZ2 TRP A 33 4.426 -9.149 6.382 1.00 0.00 C ATOM 464 CZ3 TRP A 33 2.967 -7.226 6.314 1.00 0.00 C ATOM 465 CH2 TRP A 33 3.318 -8.481 6.829 1.00 0.00 C ATOM 0 H TRP A 33 7.961 -5.328 5.046 1.00 0.00 H new ATOM 0 HA TRP A 33 6.479 -3.641 3.141 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.939 -5.483 2.671 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.564 -5.912 2.174 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.605 -8.085 3.231 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.815 -9.848 4.953 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.452 -5.650 4.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.694 -10.117 6.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 2.086 -6.726 6.688 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.702 -8.930 7.594 1.00 0.00 H new ATOM 476 N VAL A 34 4.655 -3.292 4.824 1.00 0.00 N ATOM 477 CA VAL A 34 3.746 -2.911 5.898 1.00 0.00 C ATOM 478 C VAL A 34 2.348 -2.628 5.358 1.00 0.00 C ATOM 479 O VAL A 34 2.179 -1.864 4.406 1.00 0.00 O ATOM 480 CB VAL A 34 4.256 -1.668 6.650 1.00 0.00 C ATOM 481 CG1 VAL A 34 5.480 -2.013 7.482 1.00 0.00 C ATOM 482 CG2 VAL A 34 4.563 -0.543 5.674 1.00 0.00 C ATOM 0 H VAL A 34 4.494 -2.805 3.943 1.00 0.00 H new ATOM 0 HA VAL A 34 3.702 -3.752 6.590 1.00 0.00 H new ATOM 0 HB VAL A 34 3.472 -1.326 7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.826 -1.122 8.006 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.221 -2.784 8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.272 -2.381 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.922 0.327 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.329 -0.870 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.658 -0.279 5.127 1.00 0.00 H new ATOM 492 N THR A 35 1.346 -3.247 5.974 1.00 0.00 N ATOM 493 CA THR A 35 -0.038 -3.063 5.556 1.00 0.00 C ATOM 494 C THR A 35 -0.765 -2.086 6.474 1.00 0.00 C ATOM 495 O THR A 35 -0.419 -1.949 7.649 1.00 0.00 O ATOM 496 CB THR A 35 -0.804 -4.400 5.538 1.00 0.00 C ATOM 497 OG1 THR A 35 -0.465 -5.173 6.695 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.481 -5.192 4.281 1.00 0.00 C ATOM 0 H THR A 35 1.467 -3.880 6.764 1.00 0.00 H new ATOM 0 HA THR A 35 -0.010 -2.656 4.545 1.00 0.00 H new ATOM 0 HB THR A 35 -1.872 -4.182 5.546 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.443 -5.529 6.596 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.033 -6.132 4.291 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.766 -4.613 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.588 -5.400 4.247 1.00 0.00 H new ATOM 506 N PHE A 36 -1.774 -1.411 5.935 1.00 0.00 N ATOM 507 CA PHE A 36 -2.549 -0.447 6.706 1.00 0.00 C ATOM 508 C PHE A 36 -4.045 -0.687 6.531 1.00 0.00 C ATOM 509 O PHE A 36 -4.646 -0.242 5.552 1.00 0.00 O ATOM 510 CB PHE A 36 -2.197 0.980 6.282 1.00 0.00 C ATOM 511 CG PHE A 36 -0.744 1.316 6.456 1.00 0.00 C ATOM 512 CD1 PHE A 36 -0.260 1.743 7.683 1.00 0.00 C ATOM 513 CD2 PHE A 36 0.140 1.205 5.394 1.00 0.00 C ATOM 514 CE1 PHE A 36 1.078 2.051 7.847 1.00 0.00 C ATOM 515 CE2 PHE A 36 1.478 1.512 5.552 1.00 0.00 C ATOM 516 CZ PHE A 36 1.947 1.937 6.780 1.00 0.00 C ATOM 0 H PHE A 36 -2.074 -1.514 4.966 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.299 -0.577 7.759 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.471 1.118 5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.796 1.681 6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.936 1.836 8.520 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.221 0.875 4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.443 2.380 8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.156 1.420 4.717 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.992 2.180 6.905 1.00 0.00 H new ATOM 526 N ARG A 37 -4.642 -1.395 7.485 1.00 0.00 N ATOM 527 CA ARG A 37 -6.067 -1.696 7.435 1.00 0.00 C ATOM 528 C ARG A 37 -6.861 -0.713 8.291 1.00 0.00 C ATOM 529 O ARG A 37 -6.290 0.167 8.933 1.00 0.00 O ATOM 530 CB ARG A 37 -6.324 -3.127 7.912 1.00 0.00 C ATOM 531 CG ARG A 37 -5.826 -3.398 9.321 1.00 0.00 C ATOM 532 CD ARG A 37 -5.430 -4.855 9.503 1.00 0.00 C ATOM 533 NE ARG A 37 -6.546 -5.672 9.973 1.00 0.00 N ATOM 534 CZ ARG A 37 -6.635 -6.981 9.769 1.00 0.00 C ATOM 535 NH1 ARG A 37 -5.681 -7.619 9.108 1.00 0.00 N ATOM 536 NH2 ARG A 37 -7.682 -7.654 10.229 1.00 0.00 N ATOM 0 H ARG A 37 -4.160 -1.771 8.302 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.397 -1.600 6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.394 -3.328 7.869 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.841 -3.822 7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.970 -2.758 9.535 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.604 -3.139 10.039 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.064 -5.252 8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.608 -4.921 10.215 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.298 -5.212 10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.875 -7.105 8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.753 -8.625 8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.418 -7.166 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.751 -8.660 10.072 1.00 0.00 H new ATOM 550 N TYR A 38 -8.180 -0.870 8.292 1.00 0.00 N ATOM 551 CA TYR A 38 -9.052 0.006 9.066 1.00 0.00 C ATOM 552 C TYR A 38 -9.458 -0.653 10.380 1.00 0.00 C ATOM 553 O TYR A 38 -9.635 -1.869 10.450 1.00 0.00 O ATOM 554 CB TYR A 38 -10.299 0.363 8.256 1.00 0.00 C ATOM 555 CG TYR A 38 -9.994 1.071 6.955 1.00 0.00 C ATOM 556 CD1 TYR A 38 -9.808 2.448 6.917 1.00 0.00 C ATOM 557 CD2 TYR A 38 -9.891 0.364 5.764 1.00 0.00 C ATOM 558 CE1 TYR A 38 -9.530 3.099 5.731 1.00 0.00 C ATOM 559 CE2 TYR A 38 -9.612 1.007 4.573 1.00 0.00 C ATOM 560 CZ TYR A 38 -9.432 2.374 4.562 1.00 0.00 C ATOM 561 OH TYR A 38 -9.154 3.019 3.378 1.00 0.00 O ATOM 0 H TYR A 38 -8.669 -1.595 7.766 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.500 0.918 9.293 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.856 -0.549 8.042 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.946 0.997 8.862 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.882 3.019 7.831 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -10.031 -0.707 5.769 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.390 4.170 5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.535 0.442 3.656 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.993 3.249 2.926 1.00 0.00 H new ATOM 571 N ASP A 39 -9.604 0.160 11.421 1.00 0.00 N ATOM 572 CA ASP A 39 -9.990 -0.342 12.735 1.00 0.00 C ATOM 573 C ASP A 39 -11.301 0.287 13.193 1.00 0.00 C ATOM 574 O ASP A 39 -11.666 0.204 14.365 1.00 0.00 O ATOM 575 CB ASP A 39 -8.889 -0.057 13.757 1.00 0.00 C ATOM 576 CG ASP A 39 -8.840 -1.096 14.861 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.914 -1.446 15.393 1.00 0.00 O ATOM 578 OD2 ASP A 39 -7.728 -1.558 15.192 1.00 0.00 O ATOM 0 H ASP A 39 -9.461 1.169 11.380 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.133 -1.420 12.657 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.925 -0.025 13.249 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.051 0.928 14.196 1.00 0.00 H new ATOM 583 N GLY A 40 -12.007 0.919 12.259 1.00 0.00 N ATOM 584 CA GLY A 40 -13.270 1.554 12.586 1.00 0.00 C ATOM 585 C GLY A 40 -13.291 3.026 12.221 1.00 0.00 C ATOM 586 O GLY A 40 -13.260 3.890 13.097 1.00 0.00 O ATOM 0 H GLY A 40 -11.726 1.002 11.282 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.077 1.042 12.062 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.462 1.445 13.653 1.00 0.00 H new ATOM 590 N ALA A 41 -13.339 3.312 10.925 1.00 0.00 N ATOM 591 CA ALA A 41 -13.364 4.688 10.446 1.00 0.00 C ATOM 592 C ALA A 41 -12.028 5.379 10.695 1.00 0.00 C ATOM 593 O ALA A 41 -11.967 6.601 10.843 1.00 0.00 O ATOM 594 CB ALA A 41 -14.493 5.459 11.113 1.00 0.00 C ATOM 0 H ALA A 41 -13.361 2.608 10.187 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.539 4.670 9.370 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.499 6.485 10.746 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.446 4.984 10.879 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.344 5.461 12.193 1.00 0.00 H new ATOM 600 N THR A 42 -10.959 4.592 10.743 1.00 0.00 N ATOM 601 CA THR A 42 -9.624 5.128 10.978 1.00 0.00 C ATOM 602 C THR A 42 -8.549 4.157 10.501 1.00 0.00 C ATOM 603 O THR A 42 -8.482 3.017 10.962 1.00 0.00 O ATOM 604 CB THR A 42 -9.396 5.437 12.469 1.00 0.00 C ATOM 605 OG1 THR A 42 -10.486 6.212 12.980 1.00 0.00 O ATOM 606 CG2 THR A 42 -8.091 6.192 12.672 1.00 0.00 C ATOM 0 H THR A 42 -10.991 3.580 10.622 1.00 0.00 H new ATOM 0 HA THR A 42 -9.551 6.054 10.408 1.00 0.00 H new ATOM 0 HB THR A 42 -9.338 4.492 13.009 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.888 6.731 12.252 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.952 6.399 13.733 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.260 5.587 12.308 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.125 7.132 12.120 1.00 0.00 H new ATOM 614 N ILE A 43 -7.711 4.615 9.578 1.00 0.00 N ATOM 615 CA ILE A 43 -6.640 3.786 9.042 1.00 0.00 C ATOM 616 C ILE A 43 -5.550 3.554 10.083 1.00 0.00 C ATOM 617 O ILE A 43 -5.089 4.492 10.734 1.00 0.00 O ATOM 618 CB ILE A 43 -6.009 4.422 7.789 1.00 0.00 C ATOM 619 CG1 ILE A 43 -7.074 4.646 6.713 1.00 0.00 C ATOM 620 CG2 ILE A 43 -4.886 3.544 7.257 1.00 0.00 C ATOM 621 CD1 ILE A 43 -6.693 5.698 5.696 1.00 0.00 C ATOM 0 H ILE A 43 -7.753 5.556 9.186 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.088 2.831 8.769 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.588 5.389 8.063 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.261 3.704 6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.008 4.938 7.193 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.450 4.007 6.372 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.118 3.431 8.023 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.284 2.564 6.995 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.494 5.804 4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.534 6.651 6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.776 5.399 5.189 1.00 0.00 H new ATOM 633 N VAL A 44 -5.140 2.299 10.235 1.00 0.00 N ATOM 634 CA VAL A 44 -4.103 1.944 11.194 1.00 0.00 C ATOM 635 C VAL A 44 -3.262 0.776 10.689 1.00 0.00 C ATOM 636 O VAL A 44 -3.759 -0.144 10.040 1.00 0.00 O ATOM 637 CB VAL A 44 -4.707 1.572 12.562 1.00 0.00 C ATOM 638 CG1 VAL A 44 -5.608 2.688 13.069 1.00 0.00 C ATOM 639 CG2 VAL A 44 -5.471 0.260 12.468 1.00 0.00 C ATOM 0 H VAL A 44 -5.511 1.511 9.705 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.468 2.822 11.311 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.893 1.442 13.276 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.026 2.408 14.036 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.027 3.604 13.176 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.418 2.853 12.358 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.891 0.013 13.443 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.277 0.359 11.741 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.794 -0.534 12.153 1.00 0.00 H new ATOM 649 N PRO A 45 -1.956 0.813 10.992 1.00 0.00 N ATOM 650 CA PRO A 45 -1.017 -0.234 10.579 1.00 0.00 C ATOM 651 C PRO A 45 -1.496 -1.628 10.969 1.00 0.00 C ATOM 652 O PRO A 45 -1.686 -1.923 12.149 1.00 0.00 O ATOM 653 CB PRO A 45 0.266 0.120 11.335 1.00 0.00 C ATOM 654 CG PRO A 45 0.168 1.586 11.578 1.00 0.00 C ATOM 655 CD PRO A 45 -1.294 1.880 11.762 1.00 0.00 C ATOM 0 HA PRO A 45 -0.895 -0.267 9.496 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.339 -0.433 12.272 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.152 -0.126 10.749 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.738 1.874 12.462 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.576 2.149 10.738 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.580 1.853 12.813 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.556 2.869 11.385 1.00 0.00 H new ATOM 663 N GLY A 46 -1.689 -2.484 9.969 1.00 0.00 N ATOM 664 CA GLY A 46 -2.144 -3.836 10.229 1.00 0.00 C ATOM 665 C GLY A 46 -0.999 -4.792 10.501 1.00 0.00 C ATOM 666 O GLY A 46 -0.463 -4.831 11.609 1.00 0.00 O ATOM 0 H GLY A 46 -1.538 -2.264 8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.819 -3.830 11.085 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.717 -4.194 9.373 1.00 0.00 H new ATOM 670 N ASP A 47 -0.621 -5.564 9.489 1.00 0.00 N ATOM 671 CA ASP A 47 0.468 -6.524 9.624 1.00 0.00 C ATOM 672 C ASP A 47 1.815 -5.860 9.352 1.00 0.00 C ATOM 673 O ASP A 47 1.872 -4.718 8.898 1.00 0.00 O ATOM 674 CB ASP A 47 0.263 -7.700 8.667 1.00 0.00 C ATOM 675 CG ASP A 47 -0.916 -8.567 9.060 1.00 0.00 C ATOM 676 OD1 ASP A 47 -2.066 -8.167 8.782 1.00 0.00 O ATOM 677 OD2 ASP A 47 -0.690 -9.647 9.647 1.00 0.00 O ATOM 0 H ASP A 47 -1.053 -5.544 8.565 1.00 0.00 H new ATOM 0 HA ASP A 47 0.466 -6.895 10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.110 -7.320 7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.167 -8.309 8.645 1.00 0.00 H new ATOM 682 N GLN A 48 2.893 -6.584 9.635 1.00 0.00 N ATOM 683 CA GLN A 48 4.238 -6.064 9.423 1.00 0.00 C ATOM 684 C GLN A 48 5.266 -7.191 9.434 1.00 0.00 C ATOM 685 O GLN A 48 5.214 -8.084 10.277 1.00 0.00 O ATOM 686 CB GLN A 48 4.585 -5.032 10.498 1.00 0.00 C ATOM 687 CG GLN A 48 5.796 -4.180 10.156 1.00 0.00 C ATOM 688 CD GLN A 48 6.102 -3.146 11.221 1.00 0.00 C ATOM 689 OE1 GLN A 48 6.040 -1.943 10.971 1.00 0.00 O ATOM 690 NE2 GLN A 48 6.436 -3.611 12.420 1.00 0.00 N ATOM 0 H GLN A 48 2.861 -7.532 10.011 1.00 0.00 H new ATOM 0 HA GLN A 48 4.263 -5.583 8.445 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.725 -4.380 10.655 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.769 -5.549 11.440 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.664 -4.826 10.022 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.624 -3.676 9.205 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.475 -4.617 12.584 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.653 -2.962 13.176 1.00 0.00 H new ATOM 699 N GLY A 49 6.201 -7.141 8.489 1.00 0.00 N ATOM 700 CA GLY A 49 7.227 -8.164 8.408 1.00 0.00 C ATOM 701 C GLY A 49 8.145 -7.970 7.218 1.00 0.00 C ATOM 702 O GLY A 49 7.872 -7.150 6.341 1.00 0.00 O ATOM 0 H GLY A 49 6.266 -6.411 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.818 -8.155 9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.754 -9.144 8.343 1.00 0.00 H new ATOM 706 N ALA A 50 9.240 -8.725 7.187 1.00 0.00 N ATOM 707 CA ALA A 50 10.201 -8.632 6.095 1.00 0.00 C ATOM 708 C ALA A 50 9.936 -9.699 5.039 1.00 0.00 C ATOM 709 O ALA A 50 10.452 -9.623 3.923 1.00 0.00 O ATOM 710 CB ALA A 50 11.620 -8.757 6.631 1.00 0.00 C ATOM 0 H ALA A 50 9.483 -9.407 7.906 1.00 0.00 H new ATOM 0 HA ALA A 50 10.087 -7.656 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.328 -8.686 5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.812 -7.955 7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.738 -9.720 7.128 1.00 0.00 H new ATOM 716 N ASP A 51 9.132 -10.694 5.397 1.00 0.00 N ATOM 717 CA ASP A 51 8.799 -11.776 4.479 1.00 0.00 C ATOM 718 C ASP A 51 7.619 -11.392 3.591 1.00 0.00 C ATOM 719 O ASP A 51 6.474 -11.357 4.043 1.00 0.00 O ATOM 720 CB ASP A 51 8.472 -13.051 5.258 1.00 0.00 C ATOM 721 CG ASP A 51 8.793 -14.307 4.471 1.00 0.00 C ATOM 722 OD1 ASP A 51 8.570 -14.311 3.242 1.00 0.00 O ATOM 723 OD2 ASP A 51 9.266 -15.287 5.084 1.00 0.00 O ATOM 0 H ASP A 51 8.699 -10.773 6.317 1.00 0.00 H new ATOM 0 HA ASP A 51 9.665 -11.959 3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.034 -13.057 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.414 -13.051 5.522 1.00 0.00 H new ATOM 728 N TYR A 52 7.906 -11.104 2.326 1.00 0.00 N ATOM 729 CA TYR A 52 6.871 -10.719 1.376 1.00 0.00 C ATOM 730 C TYR A 52 5.766 -11.770 1.318 1.00 0.00 C ATOM 731 O TYR A 52 4.609 -11.455 1.041 1.00 0.00 O ATOM 732 CB TYR A 52 7.474 -10.520 -0.015 1.00 0.00 C ATOM 733 CG TYR A 52 6.653 -9.616 -0.908 1.00 0.00 C ATOM 734 CD1 TYR A 52 5.408 -10.015 -1.378 1.00 0.00 C ATOM 735 CD2 TYR A 52 7.123 -8.362 -1.280 1.00 0.00 C ATOM 736 CE1 TYR A 52 4.656 -9.192 -2.194 1.00 0.00 C ATOM 737 CE2 TYR A 52 6.377 -7.532 -2.095 1.00 0.00 C ATOM 738 CZ TYR A 52 5.145 -7.952 -2.550 1.00 0.00 C ATOM 739 OH TYR A 52 4.398 -7.129 -3.361 1.00 0.00 O ATOM 0 H TYR A 52 8.848 -11.130 1.935 1.00 0.00 H new ATOM 0 HA TYR A 52 6.436 -9.778 1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.475 -10.102 0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.583 -11.492 -0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.022 -10.985 -1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.088 -8.031 -0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.690 -9.518 -2.551 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.757 -6.560 -2.374 1.00 0.00 H new ATOM 0 HH TYR A 52 3.815 -7.673 -3.931 1.00 0.00 H new ATOM 749 N GLN A 53 6.134 -13.019 1.581 1.00 0.00 N ATOM 750 CA GLN A 53 5.175 -14.119 1.560 1.00 0.00 C ATOM 751 C GLN A 53 4.179 -13.995 2.707 1.00 0.00 C ATOM 752 O GLN A 53 3.091 -14.571 2.664 1.00 0.00 O ATOM 753 CB GLN A 53 5.904 -15.461 1.643 1.00 0.00 C ATOM 754 CG GLN A 53 6.727 -15.783 0.407 1.00 0.00 C ATOM 755 CD GLN A 53 5.881 -15.896 -0.846 1.00 0.00 C ATOM 756 OE1 GLN A 53 5.256 -16.927 -1.096 1.00 0.00 O ATOM 757 NE2 GLN A 53 5.856 -14.832 -1.642 1.00 0.00 N ATOM 0 H GLN A 53 7.088 -13.296 1.811 1.00 0.00 H new ATOM 0 HA GLN A 53 4.625 -14.070 0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.559 -15.456 2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.172 -16.254 1.799 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.479 -15.007 0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.262 -16.720 0.565 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.389 -13.998 -1.396 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.303 -14.849 -2.499 1.00 0.00 H new ATOM 766 N HIS A 54 4.557 -13.239 3.734 1.00 0.00 N ATOM 767 CA HIS A 54 3.697 -13.039 4.895 1.00 0.00 C ATOM 768 C HIS A 54 2.662 -11.952 4.623 1.00 0.00 C ATOM 769 O HIS A 54 1.587 -11.940 5.224 1.00 0.00 O ATOM 770 CB HIS A 54 4.534 -12.669 6.119 1.00 0.00 C ATOM 771 CG HIS A 54 4.984 -13.853 6.918 1.00 0.00 C ATOM 772 ND1 HIS A 54 5.487 -13.751 8.198 1.00 0.00 N ATOM 773 CD2 HIS A 54 5.003 -15.172 6.612 1.00 0.00 C ATOM 774 CE1 HIS A 54 5.798 -14.955 8.644 1.00 0.00 C ATOM 775 NE2 HIS A 54 5.514 -15.834 7.702 1.00 0.00 N ATOM 0 H HIS A 54 5.453 -12.755 3.785 1.00 0.00 H new ATOM 0 HA HIS A 54 3.173 -13.974 5.093 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.409 -12.107 5.794 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.951 -12.008 6.761 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.677 -15.620 5.685 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.214 -15.181 9.615 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.652 -16.842 7.772 1.00 0.00 H new ATOM 784 N PHE A 55 2.993 -11.041 3.714 1.00 0.00 N ATOM 785 CA PHE A 55 2.093 -9.948 3.365 1.00 0.00 C ATOM 786 C PHE A 55 0.979 -10.436 2.442 1.00 0.00 C ATOM 787 O PHE A 55 -0.185 -10.069 2.611 1.00 0.00 O ATOM 788 CB PHE A 55 2.870 -8.816 2.689 1.00 0.00 C ATOM 789 CG PHE A 55 2.099 -8.124 1.602 1.00 0.00 C ATOM 790 CD1 PHE A 55 1.063 -7.258 1.913 1.00 0.00 C ATOM 791 CD2 PHE A 55 2.409 -8.340 0.269 1.00 0.00 C ATOM 792 CE1 PHE A 55 0.350 -6.622 0.915 1.00 0.00 C ATOM 793 CE2 PHE A 55 1.700 -7.706 -0.734 1.00 0.00 C ATOM 794 CZ PHE A 55 0.670 -6.844 -0.411 1.00 0.00 C ATOM 0 H PHE A 55 3.877 -11.038 3.206 1.00 0.00 H new ATOM 0 HA PHE A 55 1.643 -9.573 4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.157 -8.083 3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.792 -9.219 2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.810 -7.078 2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.214 -9.012 0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.457 -5.952 1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.951 -7.884 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.116 -6.345 -1.193 1.00 0.00 H new ATOM 804 N ILE A 56 1.343 -11.262 1.468 1.00 0.00 N ATOM 805 CA ILE A 56 0.376 -11.800 0.520 1.00 0.00 C ATOM 806 C ILE A 56 -0.595 -12.754 1.209 1.00 0.00 C ATOM 807 O ILE A 56 -1.655 -13.071 0.669 1.00 0.00 O ATOM 808 CB ILE A 56 1.072 -12.539 -0.637 1.00 0.00 C ATOM 809 CG1 ILE A 56 1.982 -11.582 -1.409 1.00 0.00 C ATOM 810 CG2 ILE A 56 0.040 -13.163 -1.564 1.00 0.00 C ATOM 811 CD1 ILE A 56 2.840 -12.269 -2.448 1.00 0.00 C ATOM 0 H ILE A 56 2.302 -11.574 1.314 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.176 -10.952 0.116 1.00 0.00 H new ATOM 0 HB ILE A 56 1.687 -13.337 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.368 -10.826 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.628 -11.060 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.548 -13.682 -2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.569 -13.873 -1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.599 -12.382 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.459 -11.529 -2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.480 -13.006 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.200 -12.768 -3.176 1.00 0.00 H new ATOM 823 N GLN A 57 -0.225 -13.206 2.402 1.00 0.00 N ATOM 824 CA GLN A 57 -1.065 -14.123 3.164 1.00 0.00 C ATOM 825 C GLN A 57 -2.086 -13.359 4.000 1.00 0.00 C ATOM 826 O GLN A 57 -2.850 -13.955 4.759 1.00 0.00 O ATOM 827 CB GLN A 57 -0.203 -15.005 4.069 1.00 0.00 C ATOM 828 CG GLN A 57 0.418 -16.191 3.350 1.00 0.00 C ATOM 829 CD GLN A 57 -0.535 -16.843 2.367 1.00 0.00 C ATOM 830 OE1 GLN A 57 -1.467 -17.545 2.761 1.00 0.00 O ATOM 831 NE2 GLN A 57 -0.306 -16.612 1.079 1.00 0.00 N ATOM 0 H GLN A 57 0.650 -12.953 2.862 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.602 -14.756 2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.591 -14.398 4.504 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.814 -15.370 4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.312 -15.862 2.820 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.737 -16.930 4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.478 -16.024 0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.915 -17.023 0.371 1.00 0.00 H new ATOM 840 N GLN A 58 -2.091 -12.038 3.857 1.00 0.00 N ATOM 841 CA GLN A 58 -3.018 -11.194 4.601 1.00 0.00 C ATOM 842 C GLN A 58 -4.084 -10.611 3.679 1.00 0.00 C ATOM 843 O GLN A 58 -5.214 -10.359 4.101 1.00 0.00 O ATOM 844 CB GLN A 58 -2.261 -10.065 5.302 1.00 0.00 C ATOM 845 CG GLN A 58 -0.885 -10.473 5.801 1.00 0.00 C ATOM 846 CD GLN A 58 -0.927 -11.108 7.177 1.00 0.00 C ATOM 847 OE1 GLN A 58 -1.861 -10.885 7.948 1.00 0.00 O ATOM 848 NE2 GLN A 58 0.086 -11.906 7.492 1.00 0.00 N ATOM 0 H GLN A 58 -1.464 -11.529 3.233 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.511 -11.812 5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.155 -9.227 4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.854 -9.710 6.145 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.440 -11.174 5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.238 -9.596 5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.839 -12.063 6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.111 -12.363 8.404 1.00 0.00 H new ATOM 857 N CYS A 59 -3.719 -10.400 2.420 1.00 0.00 N ATOM 858 CA CYS A 59 -4.644 -9.845 1.438 1.00 0.00 C ATOM 859 C CYS A 59 -5.542 -10.935 0.861 1.00 0.00 C ATOM 860 O CYS A 59 -5.071 -11.849 0.183 1.00 0.00 O ATOM 861 CB CYS A 59 -3.872 -9.155 0.312 1.00 0.00 C ATOM 862 SG CYS A 59 -2.668 -7.933 0.884 1.00 0.00 S ATOM 0 H CYS A 59 -2.789 -10.605 2.055 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.272 -9.110 1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.354 -9.912 -0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.582 -8.665 -0.354 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.531 -8.132 0.287 1.00 0.00 H new ATOM 868 N THR A 60 -6.839 -10.834 1.137 1.00 0.00 N ATOM 869 CA THR A 60 -7.802 -11.812 0.648 1.00 0.00 C ATOM 870 C THR A 60 -8.912 -11.138 -0.151 1.00 0.00 C ATOM 871 O THR A 60 -8.950 -9.913 -0.267 1.00 0.00 O ATOM 872 CB THR A 60 -8.431 -12.608 1.807 1.00 0.00 C ATOM 873 OG1 THR A 60 -9.370 -11.789 2.512 1.00 0.00 O ATOM 874 CG2 THR A 60 -7.359 -13.102 2.768 1.00 0.00 C ATOM 0 H THR A 60 -7.246 -10.085 1.697 1.00 0.00 H new ATOM 0 HA THR A 60 -7.256 -12.497 -0.000 1.00 0.00 H new ATOM 0 HB THR A 60 -8.947 -13.472 1.387 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.766 -12.303 3.246 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.827 -13.661 3.578 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.663 -13.749 2.235 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.819 -12.250 3.180 1.00 0.00 H new ATOM 882 N ASP A 61 -9.813 -11.946 -0.700 1.00 0.00 N ATOM 883 CA ASP A 61 -10.926 -11.427 -1.487 1.00 0.00 C ATOM 884 C ASP A 61 -12.051 -10.937 -0.581 1.00 0.00 C ATOM 885 O ASP A 61 -13.163 -10.677 -1.040 1.00 0.00 O ATOM 886 CB ASP A 61 -11.451 -12.504 -2.437 1.00 0.00 C ATOM 887 CG ASP A 61 -11.912 -11.930 -3.763 1.00 0.00 C ATOM 888 OD1 ASP A 61 -11.246 -11.006 -4.273 1.00 0.00 O ATOM 889 OD2 ASP A 61 -12.941 -12.405 -4.290 1.00 0.00 O ATOM 0 H ASP A 61 -9.794 -12.962 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.563 -10.582 -2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.667 -13.240 -2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.280 -13.029 -1.964 1.00 0.00 H new ATOM 894 N ASP A 62 -11.755 -10.816 0.708 1.00 0.00 N ATOM 895 CA ASP A 62 -12.741 -10.358 1.680 1.00 0.00 C ATOM 896 C ASP A 62 -12.171 -9.243 2.550 1.00 0.00 C ATOM 897 O ASP A 62 -12.675 -8.970 3.640 1.00 0.00 O ATOM 898 CB ASP A 62 -13.202 -11.522 2.559 1.00 0.00 C ATOM 899 CG ASP A 62 -14.516 -11.234 3.258 1.00 0.00 C ATOM 900 OD1 ASP A 62 -15.574 -11.361 2.608 1.00 0.00 O ATOM 901 OD2 ASP A 62 -14.485 -10.882 4.457 1.00 0.00 O ATOM 0 H ASP A 62 -10.840 -11.029 1.105 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.597 -9.965 1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -13.308 -12.417 1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.436 -11.736 3.305 1.00 0.00 H new ATOM 906 N VAL A 63 -11.113 -8.601 2.063 1.00 0.00 N ATOM 907 CA VAL A 63 -10.473 -7.515 2.795 1.00 0.00 C ATOM 908 C VAL A 63 -9.792 -6.537 1.844 1.00 0.00 C ATOM 909 O VAL A 63 -9.486 -6.877 0.701 1.00 0.00 O ATOM 910 CB VAL A 63 -9.430 -8.051 3.795 1.00 0.00 C ATOM 911 CG1 VAL A 63 -8.287 -8.733 3.060 1.00 0.00 C ATOM 912 CG2 VAL A 63 -8.911 -6.925 4.678 1.00 0.00 C ATOM 0 H VAL A 63 -10.681 -8.815 1.164 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.259 -6.996 3.343 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.912 -8.791 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.560 -9.105 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.676 -9.566 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.804 -8.017 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.176 -7.321 5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.445 -6.160 4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.740 -6.486 5.233 1.00 0.00 H new ATOM 922 N ARG A 64 -9.557 -5.321 2.325 1.00 0.00 N ATOM 923 CA ARG A 64 -8.913 -4.291 1.517 1.00 0.00 C ATOM 924 C ARG A 64 -8.113 -3.332 2.395 1.00 0.00 C ATOM 925 O ARG A 64 -8.617 -2.824 3.395 1.00 0.00 O ATOM 926 CB ARG A 64 -9.958 -3.514 0.715 1.00 0.00 C ATOM 927 CG ARG A 64 -10.840 -2.618 1.570 1.00 0.00 C ATOM 928 CD ARG A 64 -11.729 -3.431 2.496 1.00 0.00 C ATOM 929 NE ARG A 64 -11.148 -3.573 3.830 1.00 0.00 N ATOM 930 CZ ARG A 64 -11.868 -3.786 4.925 1.00 0.00 C ATOM 931 NH1 ARG A 64 -13.188 -3.881 4.848 1.00 0.00 N ATOM 932 NH2 ARG A 64 -11.267 -3.903 6.102 1.00 0.00 N ATOM 0 H ARG A 64 -9.802 -5.024 3.270 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.227 -4.782 0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.450 -2.904 -0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.588 -4.221 0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.215 -1.947 2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.459 -1.993 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.705 -2.951 2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.893 -4.419 2.065 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.135 -3.505 3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.654 -3.790 3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.738 -4.045 5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.252 -3.829 6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.820 -4.067 6.943 1.00 0.00 H new ATOM 946 N LEU A 65 -6.864 -3.092 2.013 1.00 0.00 N ATOM 947 CA LEU A 65 -5.994 -2.195 2.765 1.00 0.00 C ATOM 948 C LEU A 65 -4.733 -1.869 1.971 1.00 0.00 C ATOM 949 O LEU A 65 -4.415 -2.536 0.986 1.00 0.00 O ATOM 950 CB LEU A 65 -5.617 -2.824 4.107 1.00 0.00 C ATOM 951 CG LEU A 65 -5.011 -4.226 4.019 1.00 0.00 C ATOM 952 CD1 LEU A 65 -6.009 -5.201 3.412 1.00 0.00 C ATOM 953 CD2 LEU A 65 -3.726 -4.200 3.206 1.00 0.00 C ATOM 0 H LEU A 65 -6.431 -3.506 1.187 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.538 -1.268 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.906 -2.169 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.508 -2.869 4.733 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.773 -4.563 5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.561 -6.193 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.903 -5.241 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.279 -4.869 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.308 -5.205 3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.940 -3.843 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.007 -3.533 3.682 1.00 0.00 H new ATOM 965 N PHE A 66 -4.017 -0.837 2.406 1.00 0.00 N ATOM 966 CA PHE A 66 -2.791 -0.420 1.737 1.00 0.00 C ATOM 967 C PHE A 66 -1.604 -1.258 2.202 1.00 0.00 C ATOM 968 O PHE A 66 -1.623 -1.826 3.294 1.00 0.00 O ATOM 969 CB PHE A 66 -2.518 1.063 2.002 1.00 0.00 C ATOM 970 CG PHE A 66 -3.718 1.941 1.788 1.00 0.00 C ATOM 971 CD1 PHE A 66 -4.710 2.027 2.752 1.00 0.00 C ATOM 972 CD2 PHE A 66 -3.854 2.680 0.624 1.00 0.00 C ATOM 973 CE1 PHE A 66 -5.815 2.834 2.557 1.00 0.00 C ATOM 974 CE2 PHE A 66 -4.957 3.488 0.424 1.00 0.00 C ATOM 975 CZ PHE A 66 -5.938 3.567 1.393 1.00 0.00 C ATOM 0 H PHE A 66 -4.265 -0.274 3.220 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.923 -0.572 0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.169 1.182 3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.712 1.398 1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.619 1.458 3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.089 2.624 -0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.582 2.891 3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.052 4.057 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.799 4.201 1.241 1.00 0.00 H new ATOM 985 N ALA A 67 -0.574 -1.330 1.366 1.00 0.00 N ATOM 986 CA ALA A 67 0.622 -2.098 1.692 1.00 0.00 C ATOM 987 C ALA A 67 1.872 -1.429 1.131 1.00 0.00 C ATOM 988 O ALA A 67 2.133 -1.486 -0.071 1.00 0.00 O ATOM 989 CB ALA A 67 0.498 -3.519 1.162 1.00 0.00 C ATOM 0 H ALA A 67 -0.543 -0.866 0.458 1.00 0.00 H new ATOM 0 HA ALA A 67 0.716 -2.134 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.398 -4.081 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.369 -4.002 1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.376 -3.494 0.079 1.00 0.00 H new ATOM 995 N PHE A 68 2.643 -0.795 2.008 1.00 0.00 N ATOM 996 CA PHE A 68 3.866 -0.114 1.600 1.00 0.00 C ATOM 997 C PHE A 68 5.064 -1.057 1.673 1.00 0.00 C ATOM 998 O PHE A 68 5.497 -1.444 2.758 1.00 0.00 O ATOM 999 CB PHE A 68 4.111 1.111 2.484 1.00 0.00 C ATOM 1000 CG PHE A 68 5.468 1.728 2.289 1.00 0.00 C ATOM 1001 CD1 PHE A 68 5.689 2.639 1.269 1.00 0.00 C ATOM 1002 CD2 PHE A 68 6.521 1.397 3.127 1.00 0.00 C ATOM 1003 CE1 PHE A 68 6.936 3.207 1.088 1.00 0.00 C ATOM 1004 CE2 PHE A 68 7.769 1.961 2.950 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.977 2.869 1.930 1.00 0.00 C ATOM 0 H PHE A 68 2.442 -0.739 3.006 1.00 0.00 H new ATOM 0 HA PHE A 68 3.745 0.211 0.567 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.347 1.859 2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.998 0.824 3.529 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.878 2.908 0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.364 0.690 3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 68 7.096 3.915 0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.582 1.692 3.609 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.951 3.314 1.791 1.00 0.00 H new ATOM 1015 N VAL A 69 5.593 -1.422 0.510 1.00 0.00 N ATOM 1016 CA VAL A 69 6.740 -2.318 0.441 1.00 0.00 C ATOM 1017 C VAL A 69 7.957 -1.611 -0.146 1.00 0.00 C ATOM 1018 O VAL A 69 7.825 -0.734 -1.000 1.00 0.00 O ATOM 1019 CB VAL A 69 6.428 -3.566 -0.407 1.00 0.00 C ATOM 1020 CG1 VAL A 69 7.600 -4.536 -0.384 1.00 0.00 C ATOM 1021 CG2 VAL A 69 5.157 -4.241 0.087 1.00 0.00 C ATOM 0 H VAL A 69 5.245 -1.111 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 69 6.960 -2.627 1.463 1.00 0.00 H new ATOM 0 HB VAL A 69 6.269 -3.252 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.360 -5.411 -0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.486 -4.046 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.795 -4.847 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.951 -5.121 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.286 -4.542 1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.322 -3.544 0.012 1.00 0.00 H new ATOM 1031 N ARG A 70 9.141 -1.997 0.318 1.00 0.00 N ATOM 1032 CA ARG A 70 10.381 -1.398 -0.161 1.00 0.00 C ATOM 1033 C ARG A 70 10.875 -2.105 -1.420 1.00 0.00 C ATOM 1034 O ARG A 70 10.847 -3.333 -1.508 1.00 0.00 O ATOM 1035 CB ARG A 70 11.455 -1.462 0.927 1.00 0.00 C ATOM 1036 CG ARG A 70 12.850 -1.126 0.425 1.00 0.00 C ATOM 1037 CD ARG A 70 13.869 -1.156 1.553 1.00 0.00 C ATOM 1038 NE ARG A 70 15.237 -1.274 1.052 1.00 0.00 N ATOM 1039 CZ ARG A 70 16.288 -1.506 1.831 1.00 0.00 C ATOM 1040 NH1 ARG A 70 16.128 -1.645 3.139 1.00 0.00 N ATOM 1041 NH2 ARG A 70 17.500 -1.600 1.300 1.00 0.00 N ATOM 0 H ARG A 70 9.268 -2.721 1.025 1.00 0.00 H new ATOM 0 HA ARG A 70 10.182 -0.355 -0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.190 -0.772 1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.464 -2.463 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.141 -1.837 -0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.844 -0.138 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.778 -0.247 2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.652 -1.994 2.215 1.00 0.00 H new ATOM 0 HE ARG A 70 15.393 -1.173 0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.197 -1.574 3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.936 -1.823 3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.625 -1.494 0.293 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.307 -1.778 1.898 1.00 0.00 H new ATOM 1239 N PHE A 83 10.236 1.984 -3.367 1.00 0.00 N ATOM 1240 CA PHE A 83 9.059 1.561 -2.617 1.00 0.00 C ATOM 1241 C PHE A 83 7.809 1.612 -3.492 1.00 0.00 C ATOM 1242 O PHE A 83 7.887 1.889 -4.689 1.00 0.00 O ATOM 1243 CB PHE A 83 8.868 2.447 -1.385 1.00 0.00 C ATOM 1244 CG PHE A 83 10.096 2.552 -0.526 1.00 0.00 C ATOM 1245 CD1 PHE A 83 11.096 3.460 -0.834 1.00 0.00 C ATOM 1246 CD2 PHE A 83 10.250 1.743 0.588 1.00 0.00 C ATOM 1247 CE1 PHE A 83 12.227 3.560 -0.046 1.00 0.00 C ATOM 1248 CE2 PHE A 83 11.379 1.839 1.379 1.00 0.00 C ATOM 1249 CZ PHE A 83 12.370 2.747 1.061 1.00 0.00 C ATOM 0 HA PHE A 83 9.215 0.531 -2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.574 3.446 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.048 2.051 -0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.991 4.097 -1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.480 1.030 0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.998 4.273 -0.296 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.486 1.204 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.254 2.821 1.676 1.00 0.00 H new ATOM 1259 N ALA A 84 6.659 1.340 -2.886 1.00 0.00 N ATOM 1260 CA ALA A 84 5.393 1.356 -3.608 1.00 0.00 C ATOM 1261 C ALA A 84 4.227 1.029 -2.680 1.00 0.00 C ATOM 1262 O ALA A 84 4.266 0.044 -1.942 1.00 0.00 O ATOM 1263 CB ALA A 84 5.436 0.375 -4.771 1.00 0.00 C ATOM 0 H ALA A 84 6.578 1.106 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 84 5.240 2.361 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.484 0.397 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.238 0.655 -5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.617 -0.631 -4.392 1.00 0.00 H new ATOM 1269 N LEU A 85 3.192 1.861 -2.721 1.00 0.00 N ATOM 1270 CA LEU A 85 2.015 1.661 -1.883 1.00 0.00 C ATOM 1271 C LEU A 85 1.007 0.745 -2.571 1.00 0.00 C ATOM 1272 O LEU A 85 0.151 1.205 -3.327 1.00 0.00 O ATOM 1273 CB LEU A 85 1.362 3.005 -1.556 1.00 0.00 C ATOM 1274 CG LEU A 85 0.633 3.060 -0.214 1.00 0.00 C ATOM 1275 CD1 LEU A 85 1.537 2.569 0.906 1.00 0.00 C ATOM 1276 CD2 LEU A 85 0.149 4.474 0.072 1.00 0.00 C ATOM 0 H LEU A 85 3.144 2.681 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 85 2.336 1.186 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.131 3.777 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.654 3.250 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.235 2.403 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.000 2.616 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.835 1.539 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.424 3.200 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.368 4.495 1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.003 5.151 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.535 4.791 -0.715 1.00 0.00 H new ATOM 1288 N ILE A 86 1.117 -0.551 -2.304 1.00 0.00 N ATOM 1289 CA ILE A 86 0.215 -1.531 -2.896 1.00 0.00 C ATOM 1290 C ILE A 86 -1.155 -1.493 -2.226 1.00 0.00 C ATOM 1291 O ILE A 86 -1.328 -1.986 -1.111 1.00 0.00 O ATOM 1292 CB ILE A 86 0.786 -2.958 -2.791 1.00 0.00 C ATOM 1293 CG1 ILE A 86 1.963 -3.132 -3.751 1.00 0.00 C ATOM 1294 CG2 ILE A 86 -0.300 -3.985 -3.082 1.00 0.00 C ATOM 1295 CD1 ILE A 86 2.993 -4.130 -3.270 1.00 0.00 C ATOM 0 H ILE A 86 1.821 -0.947 -1.682 1.00 0.00 H new ATOM 0 HA ILE A 86 0.110 -1.267 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 86 1.146 -3.116 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.585 -3.452 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.446 -2.166 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.118 -4.989 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.110 -3.872 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.687 -3.830 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.799 -4.202 -4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.399 -3.801 -2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.524 -5.107 -3.149 1.00 0.00 H new ATOM 1307 N THR A 87 -2.129 -0.905 -2.915 1.00 0.00 N ATOM 1308 CA THR A 87 -3.483 -0.802 -2.387 1.00 0.00 C ATOM 1309 C THR A 87 -4.303 -2.041 -2.733 1.00 0.00 C ATOM 1310 O THR A 87 -4.807 -2.170 -3.849 1.00 0.00 O ATOM 1311 CB THR A 87 -4.205 0.445 -2.931 1.00 0.00 C ATOM 1312 OG1 THR A 87 -3.747 1.614 -2.243 1.00 0.00 O ATOM 1313 CG2 THR A 87 -5.711 0.313 -2.769 1.00 0.00 C ATOM 0 H THR A 87 -2.004 -0.493 -3.840 1.00 0.00 H new ATOM 0 HA THR A 87 -3.395 -0.718 -1.304 1.00 0.00 H new ATOM 0 HB THR A 87 -3.977 0.535 -3.993 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.000 1.557 -1.298 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.199 1.206 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.061 -0.562 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.955 0.200 -1.713 1.00 0.00 H new ATOM 1321 N TRP A 88 -4.432 -2.946 -1.771 1.00 0.00 N ATOM 1322 CA TRP A 88 -5.192 -4.174 -1.975 1.00 0.00 C ATOM 1323 C TRP A 88 -6.682 -3.936 -1.753 1.00 0.00 C ATOM 1324 O TRP A 88 -7.072 -3.172 -0.869 1.00 0.00 O ATOM 1325 CB TRP A 88 -4.693 -5.270 -1.032 1.00 0.00 C ATOM 1326 CG TRP A 88 -5.550 -6.499 -1.042 1.00 0.00 C ATOM 1327 CD1 TRP A 88 -6.325 -6.967 -0.020 1.00 0.00 C ATOM 1328 CD2 TRP A 88 -5.717 -7.417 -2.128 1.00 0.00 C ATOM 1329 NE1 TRP A 88 -6.963 -8.121 -0.405 1.00 0.00 N ATOM 1330 CE2 TRP A 88 -6.608 -8.419 -1.694 1.00 0.00 C ATOM 1331 CE3 TRP A 88 -5.203 -7.491 -3.425 1.00 0.00 C ATOM 1332 CZ2 TRP A 88 -6.993 -9.478 -2.510 1.00 0.00 C ATOM 1333 CZ3 TRP A 88 -5.586 -8.543 -4.234 1.00 0.00 C ATOM 1334 CH2 TRP A 88 -6.474 -9.524 -3.776 1.00 0.00 C ATOM 0 H TRP A 88 -4.021 -2.853 -0.842 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.044 -4.496 -3.006 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.675 -5.543 -1.311 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.650 -4.874 -0.017 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.422 -6.499 0.948 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -7.599 -8.668 0.176 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.518 -6.739 -3.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.676 -10.236 -2.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.193 -8.610 -5.238 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.755 -10.333 -4.434 1.00 0.00 H new ATOM 1345 N ILE A 89 -7.509 -4.593 -2.560 1.00 0.00 N ATOM 1346 CA ILE A 89 -8.955 -4.451 -2.450 1.00 0.00 C ATOM 1347 C ILE A 89 -9.668 -5.717 -2.915 1.00 0.00 C ATOM 1348 O ILE A 89 -9.840 -5.940 -4.113 1.00 0.00 O ATOM 1349 CB ILE A 89 -9.468 -3.255 -3.272 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -8.715 -1.981 -2.884 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -10.965 -3.075 -3.068 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -9.006 -0.806 -3.791 1.00 0.00 C ATOM 0 H ILE A 89 -7.202 -5.228 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.176 -4.278 -1.397 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.286 -3.454 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.976 -1.712 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.644 -2.183 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.313 -2.225 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.487 -3.976 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.169 -2.894 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.438 0.062 -3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.719 -1.055 -4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.071 -0.577 -3.759 1.00 0.00 H new ATOM 1364 N GLY A 90 -10.082 -6.543 -1.958 1.00 0.00 N ATOM 1365 CA GLY A 90 -10.773 -7.775 -2.290 1.00 0.00 C ATOM 1366 C GLY A 90 -11.700 -7.618 -3.480 1.00 0.00 C ATOM 1367 O GLY A 90 -12.510 -6.693 -3.525 1.00 0.00 O ATOM 0 H GLY A 90 -9.951 -6.381 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.040 -8.553 -2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.349 -8.109 -1.427 1.00 0.00 H new ATOM 1371 N GLU A 91 -11.578 -8.524 -4.446 1.00 0.00 N ATOM 1372 CA GLU A 91 -12.411 -8.479 -5.642 1.00 0.00 C ATOM 1373 C GLU A 91 -13.845 -8.893 -5.323 1.00 0.00 C ATOM 1374 O GLU A 91 -14.679 -9.023 -6.219 1.00 0.00 O ATOM 1375 CB GLU A 91 -11.833 -9.391 -6.726 1.00 0.00 C ATOM 1376 CG GLU A 91 -10.933 -8.668 -7.714 1.00 0.00 C ATOM 1377 CD GLU A 91 -10.611 -9.510 -8.933 1.00 0.00 C ATOM 1378 OE1 GLU A 91 -11.384 -10.445 -9.229 1.00 0.00 O ATOM 1379 OE2 GLU A 91 -9.586 -9.233 -9.592 1.00 0.00 O ATOM 0 H GLU A 91 -10.912 -9.296 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.422 -7.453 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.267 -10.192 -6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.653 -9.859 -7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.417 -7.745 -8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.005 -8.386 -7.216 1.00 0.00 H new ATOM 1386 N ASP A 92 -14.123 -9.101 -4.041 1.00 0.00 N ATOM 1387 CA ASP A 92 -15.455 -9.501 -3.603 1.00 0.00 C ATOM 1388 C ASP A 92 -16.083 -8.424 -2.723 1.00 0.00 C ATOM 1389 O ASP A 92 -17.305 -8.348 -2.595 1.00 0.00 O ATOM 1390 CB ASP A 92 -15.388 -10.825 -2.841 1.00 0.00 C ATOM 1391 CG ASP A 92 -16.672 -11.624 -2.953 1.00 0.00 C ATOM 1392 OD1 ASP A 92 -17.581 -11.404 -2.126 1.00 0.00 O ATOM 1393 OD2 ASP A 92 -16.768 -12.466 -3.869 1.00 0.00 O ATOM 0 H ASP A 92 -13.444 -8.999 -3.287 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.078 -9.631 -4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.559 -11.420 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -15.178 -10.626 -1.790 1.00 0.00 H new ATOM 1398 N VAL A 93 -15.239 -7.595 -2.117 1.00 0.00 N ATOM 1399 CA VAL A 93 -15.711 -6.524 -1.249 1.00 0.00 C ATOM 1400 C VAL A 93 -16.794 -5.698 -1.934 1.00 0.00 C ATOM 1401 O VAL A 93 -16.800 -5.556 -3.157 1.00 0.00 O ATOM 1402 CB VAL A 93 -14.559 -5.592 -0.830 1.00 0.00 C ATOM 1403 CG1 VAL A 93 -13.468 -6.377 -0.119 1.00 0.00 C ATOM 1404 CG2 VAL A 93 -13.997 -4.861 -2.041 1.00 0.00 C ATOM 0 H VAL A 93 -14.225 -7.645 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.127 -6.998 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.951 -4.849 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.663 -5.701 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -13.882 -6.850 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.077 -7.143 -0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -13.184 -4.207 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.620 -5.587 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -14.784 -4.265 -2.504 1.00 0.00 H new ATOM 1414 N SER A 94 -17.709 -5.154 -1.138 1.00 0.00 N ATOM 1415 CA SER A 94 -18.800 -4.344 -1.669 1.00 0.00 C ATOM 1416 C SER A 94 -18.260 -3.172 -2.482 1.00 0.00 C ATOM 1417 O SER A 94 -17.313 -2.502 -2.073 1.00 0.00 O ATOM 1418 CB SER A 94 -19.680 -3.827 -0.529 1.00 0.00 C ATOM 1419 OG SER A 94 -19.235 -2.559 -0.077 1.00 0.00 O ATOM 0 H SER A 94 -17.717 -5.259 -0.123 1.00 0.00 H new ATOM 0 HA SER A 94 -19.401 -4.973 -2.326 1.00 0.00 H new ATOM 0 HB2 SER A 94 -20.714 -3.754 -0.867 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.665 -4.537 0.298 1.00 0.00 H new ATOM 0 HG SER A 94 -19.814 -2.249 0.650 1.00 0.00 H new ATOM 1425 N GLY A 95 -18.871 -2.931 -3.638 1.00 0.00 N ATOM 1426 CA GLY A 95 -18.439 -1.841 -4.492 1.00 0.00 C ATOM 1427 C GLY A 95 -18.044 -0.609 -3.704 1.00 0.00 C ATOM 1428 O GLY A 95 -16.925 -0.110 -3.836 1.00 0.00 O ATOM 0 H GLY A 95 -19.658 -3.472 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.593 -2.170 -5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.242 -1.585 -5.183 1.00 0.00 H new ATOM 1432 N LEU A 96 -18.963 -0.114 -2.881 1.00 0.00 N ATOM 1433 CA LEU A 96 -18.704 1.070 -2.070 1.00 0.00 C ATOM 1434 C LEU A 96 -17.309 1.016 -1.456 1.00 0.00 C ATOM 1435 O LEU A 96 -16.499 1.922 -1.651 1.00 0.00 O ATOM 1436 CB LEU A 96 -19.755 1.194 -0.964 1.00 0.00 C ATOM 1437 CG LEU A 96 -20.054 2.624 -0.512 1.00 0.00 C ATOM 1438 CD1 LEU A 96 -18.887 3.188 0.283 1.00 0.00 C ATOM 1439 CD2 LEU A 96 -20.360 3.508 -1.713 1.00 0.00 C ATOM 0 H LEU A 96 -19.893 -0.514 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.762 1.944 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.682 0.738 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.421 0.619 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.931 2.605 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -19.118 4.206 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.713 2.569 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -17.992 3.194 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.571 4.522 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.501 3.521 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -21.228 3.115 -2.242 1.00 0.00 H new ATOM 1451 N GLN A 97 -17.034 -0.054 -0.716 1.00 0.00 N ATOM 1452 CA GLN A 97 -15.737 -0.227 -0.074 1.00 0.00 C ATOM 1453 C GLN A 97 -14.605 0.121 -1.035 1.00 0.00 C ATOM 1454 O GLN A 97 -13.690 0.868 -0.688 1.00 0.00 O ATOM 1455 CB GLN A 97 -15.577 -1.665 0.422 1.00 0.00 C ATOM 1456 CG GLN A 97 -16.063 -1.874 1.847 1.00 0.00 C ATOM 1457 CD GLN A 97 -15.304 -1.031 2.853 1.00 0.00 C ATOM 1458 OE1 GLN A 97 -14.474 -0.199 2.482 1.00 0.00 O ATOM 1459 NE2 GLN A 97 -15.583 -1.241 4.133 1.00 0.00 N ATOM 0 H GLN A 97 -17.693 -0.814 -0.547 1.00 0.00 H new ATOM 0 HA GLN A 97 -15.688 0.451 0.778 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -16.126 -2.333 -0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -14.526 -1.947 0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -17.124 -1.632 1.904 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.961 -2.927 2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -16.278 -1.940 4.395 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.103 -0.703 4.855 1.00 0.00 H new ATOM 1468 N ARG A 98 -14.671 -0.426 -2.244 1.00 0.00 N ATOM 1469 CA ARG A 98 -13.650 -0.175 -3.254 1.00 0.00 C ATOM 1470 C ARG A 98 -13.648 1.292 -3.672 1.00 0.00 C ATOM 1471 O ARG A 98 -12.597 1.867 -3.953 1.00 0.00 O ATOM 1472 CB ARG A 98 -13.883 -1.064 -4.477 1.00 0.00 C ATOM 1473 CG ARG A 98 -12.747 -1.021 -5.487 1.00 0.00 C ATOM 1474 CD ARG A 98 -13.247 -1.278 -6.900 1.00 0.00 C ATOM 1475 NE ARG A 98 -12.340 -0.737 -7.908 1.00 0.00 N ATOM 1476 CZ ARG A 98 -12.305 -1.160 -9.167 1.00 0.00 C ATOM 1477 NH1 ARG A 98 -13.121 -2.124 -9.569 1.00 0.00 N ATOM 1478 NH2 ARG A 98 -11.451 -0.617 -10.026 1.00 0.00 N ATOM 0 H ARG A 98 -15.421 -1.046 -2.548 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.679 -0.413 -2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -14.025 -2.093 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.806 -0.757 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.258 -0.048 -5.445 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -11.997 -1.767 -5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.362 -2.351 -7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.233 -0.831 -7.022 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.698 0.006 -7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.778 -2.543 -8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.092 -2.447 -10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.822 0.125 -9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.424 -0.942 -10.993 1.00 0.00 H new ATOM 1492 N ALA A 99 -14.833 1.893 -3.711 1.00 0.00 N ATOM 1493 CA ALA A 99 -14.967 3.294 -4.093 1.00 0.00 C ATOM 1494 C ALA A 99 -14.411 4.213 -3.011 1.00 0.00 C ATOM 1495 O ALA A 99 -14.149 5.391 -3.256 1.00 0.00 O ATOM 1496 CB ALA A 99 -16.425 3.626 -4.372 1.00 0.00 C ATOM 0 H ALA A 99 -15.714 1.432 -3.483 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.388 3.455 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.511 4.675 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.792 2.999 -5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -17.018 3.443 -3.476 1.00 0.00 H new ATOM 1502 N LYS A 100 -14.233 3.669 -1.812 1.00 0.00 N ATOM 1503 CA LYS A 100 -13.708 4.439 -0.690 1.00 0.00 C ATOM 1504 C LYS A 100 -12.214 4.191 -0.513 1.00 0.00 C ATOM 1505 O LYS A 100 -11.421 5.131 -0.446 1.00 0.00 O ATOM 1506 CB LYS A 100 -14.452 4.078 0.597 1.00 0.00 C ATOM 1507 CG LYS A 100 -15.957 4.264 0.502 1.00 0.00 C ATOM 1508 CD LYS A 100 -16.323 5.708 0.207 1.00 0.00 C ATOM 1509 CE LYS A 100 -15.421 6.677 0.957 1.00 0.00 C ATOM 1510 NZ LYS A 100 -15.585 6.558 2.432 1.00 0.00 N ATOM 0 H LYS A 100 -14.445 2.696 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 100 -13.860 5.497 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.238 3.040 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.069 4.692 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.355 3.619 -0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.423 3.954 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -16.245 5.892 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.361 5.886 0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.381 6.486 0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -15.647 7.697 0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.786 7.495 2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.374 5.914 2.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.710 6.182 2.849 1.00 0.00 H new ATOM 1524 N THR A 101 -11.834 2.919 -0.440 1.00 0.00 N ATOM 1525 CA THR A 101 -10.435 2.548 -0.271 1.00 0.00 C ATOM 1526 C THR A 101 -9.526 3.426 -1.121 1.00 0.00 C ATOM 1527 O THR A 101 -8.462 3.854 -0.675 1.00 0.00 O ATOM 1528 CB THR A 101 -10.197 1.072 -0.641 1.00 0.00 C ATOM 1529 OG1 THR A 101 -11.022 0.225 0.167 1.00 0.00 O ATOM 1530 CG2 THR A 101 -8.735 0.695 -0.451 1.00 0.00 C ATOM 0 H THR A 101 -12.476 2.128 -0.495 1.00 0.00 H new ATOM 0 HA THR A 101 -10.195 2.695 0.782 1.00 0.00 H new ATOM 0 HB THR A 101 -10.457 0.937 -1.691 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.957 0.318 -0.110 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.591 -0.352 -0.719 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.112 1.321 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.453 0.845 0.591 1.00 0.00 H new ATOM 1538 N GLY A 102 -9.952 3.694 -2.353 1.00 0.00 N ATOM 1539 CA GLY A 102 -9.164 4.522 -3.247 1.00 0.00 C ATOM 1540 C GLY A 102 -9.096 5.966 -2.791 1.00 0.00 C ATOM 1541 O GLY A 102 -8.039 6.596 -2.853 1.00 0.00 O ATOM 0 H GLY A 102 -10.829 3.352 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.154 4.118 -3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.593 4.480 -4.248 1.00 0.00 H new ATOM 1545 N THR A 103 -10.227 6.494 -2.332 1.00 0.00 N ATOM 1546 CA THR A 103 -10.292 7.874 -1.867 1.00 0.00 C ATOM 1547 C THR A 103 -9.526 8.050 -0.561 1.00 0.00 C ATOM 1548 O THR A 103 -8.895 9.082 -0.334 1.00 0.00 O ATOM 1549 CB THR A 103 -11.749 8.329 -1.661 1.00 0.00 C ATOM 1550 OG1 THR A 103 -12.487 8.175 -2.879 1.00 0.00 O ATOM 1551 CG2 THR A 103 -11.803 9.780 -1.209 1.00 0.00 C ATOM 0 H THR A 103 -11.110 5.987 -2.273 1.00 0.00 H new ATOM 0 HA THR A 103 -9.833 8.491 -2.640 1.00 0.00 H new ATOM 0 HB THR A 103 -12.195 7.707 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 103 -12.953 7.313 -2.872 1.00 0.00 H new ATOM 0 HG21 THR A 103 -12.842 10.079 -1.070 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.265 9.888 -0.267 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.341 10.414 -1.966 1.00 0.00 H new ATOM 1559 N ASP A 104 -9.586 7.037 0.296 1.00 0.00 N ATOM 1560 CA ASP A 104 -8.897 7.078 1.580 1.00 0.00 C ATOM 1561 C ASP A 104 -7.384 7.056 1.386 1.00 0.00 C ATOM 1562 O ASP A 104 -6.621 7.174 2.345 1.00 0.00 O ATOM 1563 CB ASP A 104 -9.328 5.900 2.454 1.00 0.00 C ATOM 1564 CG ASP A 104 -10.810 5.602 2.334 1.00 0.00 C ATOM 1565 OD1 ASP A 104 -11.572 6.522 1.968 1.00 0.00 O ATOM 1566 OD2 ASP A 104 -11.207 4.449 2.604 1.00 0.00 O ATOM 0 H ASP A 104 -10.106 6.176 0.124 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.168 8.008 2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -8.758 5.015 2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.087 6.116 3.495 1.00 0.00 H new ATOM 1571 N LYS A 105 -6.955 6.904 0.138 1.00 0.00 N ATOM 1572 CA LYS A 105 -5.533 6.866 -0.185 1.00 0.00 C ATOM 1573 C LYS A 105 -4.869 8.204 0.127 1.00 0.00 C ATOM 1574 O LYS A 105 -3.716 8.252 0.557 1.00 0.00 O ATOM 1575 CB LYS A 105 -5.333 6.516 -1.661 1.00 0.00 C ATOM 1576 CG LYS A 105 -3.901 6.686 -2.137 1.00 0.00 C ATOM 1577 CD LYS A 105 -3.845 7.118 -3.593 1.00 0.00 C ATOM 1578 CE LYS A 105 -4.937 6.450 -4.414 1.00 0.00 C ATOM 1579 NZ LYS A 105 -6.147 7.310 -4.532 1.00 0.00 N ATOM 0 H LYS A 105 -7.572 6.805 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.066 6.097 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.642 5.484 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.986 7.145 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.396 7.427 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.362 5.747 -2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.951 8.201 -3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.870 6.868 -4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.555 6.222 -5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.210 5.501 -3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.950 6.845 -4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.966 8.228 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.371 7.458 -5.537 1.00 0.00 H new ATOM 1593 N THR A 106 -5.605 9.289 -0.093 1.00 0.00 N ATOM 1594 CA THR A 106 -5.088 10.628 0.164 1.00 0.00 C ATOM 1595 C THR A 106 -4.529 10.739 1.579 1.00 0.00 C ATOM 1596 O THR A 106 -3.666 11.573 1.851 1.00 0.00 O ATOM 1597 CB THR A 106 -6.177 11.698 -0.031 1.00 0.00 C ATOM 1598 OG1 THR A 106 -6.830 11.508 -1.291 1.00 0.00 O ATOM 1599 CG2 THR A 106 -5.580 13.096 0.030 1.00 0.00 C ATOM 0 H THR A 106 -6.561 9.267 -0.448 1.00 0.00 H new ATOM 0 HA THR A 106 -4.287 10.801 -0.555 1.00 0.00 H new ATOM 0 HB THR A 106 -6.904 11.595 0.774 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.523 12.192 -1.407 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.369 13.835 -0.110 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.109 13.248 1.001 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.834 13.208 -0.757 1.00 0.00 H new ATOM 1607 N LEU A 107 -5.027 9.893 2.474 1.00 0.00 N ATOM 1608 CA LEU A 107 -4.577 9.897 3.862 1.00 0.00 C ATOM 1609 C LEU A 107 -3.281 9.106 4.015 1.00 0.00 C ATOM 1610 O LEU A 107 -2.302 9.601 4.573 1.00 0.00 O ATOM 1611 CB LEU A 107 -5.658 9.309 4.771 1.00 0.00 C ATOM 1612 CG LEU A 107 -7.095 9.550 4.308 1.00 0.00 C ATOM 1613 CD1 LEU A 107 -8.078 9.210 5.417 1.00 0.00 C ATOM 1614 CD2 LEU A 107 -7.274 10.993 3.861 1.00 0.00 C ATOM 0 H LEU A 107 -5.742 9.196 2.264 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.388 10.930 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.495 8.235 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.539 9.729 5.770 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.297 8.897 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.095 9.388 5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.967 8.161 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.877 9.837 6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.302 11.148 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.053 11.662 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.595 11.205 3.035 1.00 0.00 H new ATOM 1626 N VAL A 108 -3.285 7.874 3.518 1.00 0.00 N ATOM 1627 CA VAL A 108 -2.110 7.015 3.597 1.00 0.00 C ATOM 1628 C VAL A 108 -0.913 7.652 2.900 1.00 0.00 C ATOM 1629 O VAL A 108 0.233 7.460 3.308 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.380 5.634 2.970 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -1.126 4.773 3.011 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.533 4.943 3.682 1.00 0.00 C ATOM 0 H VAL A 108 -4.089 7.448 3.056 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.884 6.887 4.656 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.659 5.777 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.337 3.802 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.329 5.264 2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.813 4.636 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.710 3.969 3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.284 4.811 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.432 5.553 3.595 1.00 0.00 H new ATOM 1642 N LYS A 109 -1.186 8.412 1.846 1.00 0.00 N ATOM 1643 CA LYS A 109 -0.134 9.082 1.091 1.00 0.00 C ATOM 1644 C LYS A 109 0.552 10.147 1.940 1.00 0.00 C ATOM 1645 O LYS A 109 1.759 10.360 1.828 1.00 0.00 O ATOM 1646 CB LYS A 109 -0.711 9.718 -0.175 1.00 0.00 C ATOM 1647 CG LYS A 109 0.301 10.531 -0.964 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.368 11.652 -1.740 1.00 0.00 C ATOM 1649 CE LYS A 109 -0.540 12.898 -0.885 1.00 0.00 C ATOM 1650 NZ LYS A 109 0.709 13.705 -0.821 1.00 0.00 N ATOM 0 H LYS A 109 -2.129 8.580 1.494 1.00 0.00 H new ATOM 0 HA LYS A 109 0.607 8.334 0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.112 8.932 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.546 10.362 0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.042 10.950 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.835 9.878 -1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.229 11.893 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.342 11.318 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.346 13.509 -1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.837 12.608 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.550 14.545 -0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.472 13.131 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.979 14.004 -1.780 1.00 0.00 H new ATOM 1664 N GLU A 110 -0.225 10.810 2.790 1.00 0.00 N ATOM 1665 CA GLU A 110 0.309 11.853 3.659 1.00 0.00 C ATOM 1666 C GLU A 110 1.605 11.397 4.323 1.00 0.00 C ATOM 1667 O GLU A 110 2.544 12.176 4.479 1.00 0.00 O ATOM 1668 CB GLU A 110 -0.717 12.234 4.727 1.00 0.00 C ATOM 1669 CG GLU A 110 -2.100 12.522 4.167 1.00 0.00 C ATOM 1670 CD GLU A 110 -2.090 13.627 3.126 1.00 0.00 C ATOM 1671 OE1 GLU A 110 -1.466 13.434 2.062 1.00 0.00 O ATOM 1672 OE2 GLU A 110 -2.706 14.683 3.379 1.00 0.00 O ATOM 0 H GLU A 110 -1.226 10.644 2.896 1.00 0.00 H new ATOM 0 HA GLU A 110 0.524 12.727 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.790 11.425 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.361 13.114 5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.504 11.613 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.767 12.802 4.982 1.00 0.00 H new ATOM 1679 N VAL A 111 1.648 10.127 4.713 1.00 0.00 N ATOM 1680 CA VAL A 111 2.828 9.564 5.360 1.00 0.00 C ATOM 1681 C VAL A 111 3.812 9.021 4.331 1.00 0.00 C ATOM 1682 O VAL A 111 5.021 9.222 4.448 1.00 0.00 O ATOM 1683 CB VAL A 111 2.447 8.436 6.337 1.00 0.00 C ATOM 1684 CG1 VAL A 111 3.696 7.762 6.886 1.00 0.00 C ATOM 1685 CG2 VAL A 111 1.583 8.977 7.466 1.00 0.00 C ATOM 0 H VAL A 111 0.879 9.468 4.592 1.00 0.00 H new ATOM 0 HA VAL A 111 3.300 10.373 5.918 1.00 0.00 H new ATOM 0 HB VAL A 111 1.868 7.689 5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.408 6.968 7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.272 7.338 6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.304 8.497 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.324 8.166 8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.134 9.745 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.672 9.409 7.052 1.00 0.00 H new ATOM 1695 N VAL A 112 3.287 8.333 3.323 1.00 0.00 N ATOM 1696 CA VAL A 112 4.120 7.761 2.272 1.00 0.00 C ATOM 1697 C VAL A 112 4.211 8.700 1.073 1.00 0.00 C ATOM 1698 O VAL A 112 3.316 8.732 0.229 1.00 0.00 O ATOM 1699 CB VAL A 112 3.576 6.399 1.803 1.00 0.00 C ATOM 1700 CG1 VAL A 112 4.382 5.879 0.623 1.00 0.00 C ATOM 1701 CG2 VAL A 112 3.587 5.399 2.950 1.00 0.00 C ATOM 0 H VAL A 112 2.288 8.158 3.212 1.00 0.00 H new ATOM 0 HA VAL A 112 5.114 7.619 2.697 1.00 0.00 H new ATOM 0 HB VAL A 112 2.545 6.532 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.983 4.916 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 112 4.318 6.588 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.424 5.760 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 112 3.199 4.442 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.608 5.268 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 112 2.962 5.770 3.762 1.00 0.00 H new ATOM 1711 N GLN A 113 5.301 9.458 1.004 1.00 0.00 N ATOM 1712 CA GLN A 113 5.508 10.397 -0.092 1.00 0.00 C ATOM 1713 C GLN A 113 6.827 10.117 -0.805 1.00 0.00 C ATOM 1714 O GLN A 113 6.956 10.352 -2.006 1.00 0.00 O ATOM 1715 CB GLN A 113 5.492 11.834 0.430 1.00 0.00 C ATOM 1716 CG GLN A 113 4.338 12.127 1.375 1.00 0.00 C ATOM 1717 CD GLN A 113 3.980 13.599 1.422 1.00 0.00 C ATOM 1718 OE1 GLN A 113 4.696 14.441 0.879 1.00 0.00 O ATOM 1719 NE2 GLN A 113 2.867 13.918 2.073 1.00 0.00 N ATOM 0 H GLN A 113 6.053 9.440 1.693 1.00 0.00 H new ATOM 0 HA GLN A 113 4.695 10.269 -0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.432 12.035 0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 113 5.440 12.518 -0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 113 3.464 11.555 1.063 1.00 0.00 H new ATOM 0 HG3 GLN A 113 4.600 11.789 2.378 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.304 13.188 2.508 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.576 14.893 2.138 1.00 0.00 H new ATOM 1728 N ASN A 114 7.803 9.614 -0.057 1.00 0.00 N ATOM 1729 CA ASN A 114 9.113 9.303 -0.618 1.00 0.00 C ATOM 1730 C ASN A 114 9.030 8.106 -1.562 1.00 0.00 C ATOM 1731 O ASN A 114 9.844 7.965 -2.475 1.00 0.00 O ATOM 1732 CB ASN A 114 10.116 9.015 0.500 1.00 0.00 C ATOM 1733 CG ASN A 114 11.524 8.810 -0.023 1.00 0.00 C ATOM 1734 OD1 ASN A 114 12.210 9.767 -0.381 1.00 0.00 O ATOM 1735 ND2 ASN A 114 11.961 7.557 -0.069 1.00 0.00 N ATOM 0 H ASN A 114 7.712 9.413 0.939 1.00 0.00 H new ATOM 0 HA ASN A 114 9.452 10.170 -1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 114 10.112 9.843 1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.801 8.126 1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 114 12.901 7.357 -0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.357 6.795 0.238 1.00 0.00 H new ATOM 1742 N PHE A 115 8.042 7.247 -1.334 1.00 0.00 N ATOM 1743 CA PHE A 115 7.852 6.063 -2.163 1.00 0.00 C ATOM 1744 C PHE A 115 7.787 6.437 -3.640 1.00 0.00 C ATOM 1745 O PHE A 115 8.050 7.580 -4.015 1.00 0.00 O ATOM 1746 CB PHE A 115 6.574 5.327 -1.754 1.00 0.00 C ATOM 1747 CG PHE A 115 5.354 5.785 -2.501 1.00 0.00 C ATOM 1748 CD1 PHE A 115 5.247 7.094 -2.943 1.00 0.00 C ATOM 1749 CD2 PHE A 115 4.315 4.906 -2.761 1.00 0.00 C ATOM 1750 CE1 PHE A 115 4.126 7.519 -3.631 1.00 0.00 C ATOM 1751 CE2 PHE A 115 3.193 5.325 -3.450 1.00 0.00 C ATOM 1752 CZ PHE A 115 3.096 6.632 -3.883 1.00 0.00 C ATOM 0 H PHE A 115 7.361 7.349 -0.582 1.00 0.00 H new ATOM 0 HA PHE A 115 8.707 5.404 -2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 115 6.711 4.258 -1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 115 6.410 5.467 -0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 115 6.049 7.790 -2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.383 3.883 -2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.055 8.542 -3.971 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.391 4.629 -3.650 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.217 6.961 -4.418 1.00 0.00 H new ATOM 1762 N ALA A 116 7.434 5.465 -4.476 1.00 0.00 N ATOM 1763 CA ALA A 116 7.333 5.693 -5.912 1.00 0.00 C ATOM 1764 C ALA A 116 5.896 6.006 -6.317 1.00 0.00 C ATOM 1765 O ALA A 116 5.587 7.122 -6.736 1.00 0.00 O ATOM 1766 CB ALA A 116 7.846 4.481 -6.676 1.00 0.00 C ATOM 0 H ALA A 116 7.213 4.513 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 116 7.951 6.555 -6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.765 4.665 -7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.890 4.302 -6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 116 7.252 3.606 -6.412 1.00 0.00 H new ATOM 1772 N LYS A 117 5.021 5.014 -6.192 1.00 0.00 N ATOM 1773 CA LYS A 117 3.616 5.184 -6.544 1.00 0.00 C ATOM 1774 C LYS A 117 2.759 4.101 -5.897 1.00 0.00 C ATOM 1775 O LYS A 117 3.266 3.058 -5.485 1.00 0.00 O ATOM 1776 CB LYS A 117 3.442 5.147 -8.063 1.00 0.00 C ATOM 1777 CG LYS A 117 2.099 4.595 -8.509 1.00 0.00 C ATOM 1778 CD LYS A 117 2.091 4.279 -9.996 1.00 0.00 C ATOM 1779 CE LYS A 117 0.830 3.530 -10.399 1.00 0.00 C ATOM 1780 NZ LYS A 117 0.466 3.783 -11.821 1.00 0.00 N ATOM 0 H LYS A 117 5.260 4.083 -5.849 1.00 0.00 H new ATOM 0 HA LYS A 117 3.288 6.154 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.560 6.156 -8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.237 4.540 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.870 3.692 -7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.315 5.319 -8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.164 5.205 -10.566 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.967 3.681 -10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.978 2.461 -10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.006 3.833 -9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.398 3.255 -12.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.300 4.800 -11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.242 3.471 -12.439 1.00 0.00 H new ATOM 1794 N GLU A 118 1.457 4.356 -5.811 1.00 0.00 N ATOM 1795 CA GLU A 118 0.529 3.401 -5.215 1.00 0.00 C ATOM 1796 C GLU A 118 0.079 2.365 -6.242 1.00 0.00 C ATOM 1797 O GLU A 118 -0.386 2.713 -7.327 1.00 0.00 O ATOM 1798 CB GLU A 118 -0.687 4.129 -4.641 1.00 0.00 C ATOM 1799 CG GLU A 118 -1.603 4.716 -5.702 1.00 0.00 C ATOM 1800 CD GLU A 118 -2.713 3.765 -6.105 1.00 0.00 C ATOM 1801 OE1 GLU A 118 -2.527 2.539 -5.958 1.00 0.00 O ATOM 1802 OE2 GLU A 118 -3.768 4.247 -6.568 1.00 0.00 O ATOM 0 H GLU A 118 1.021 5.215 -6.146 1.00 0.00 H new ATOM 0 HA GLU A 118 1.048 2.884 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.258 3.435 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.344 4.930 -3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.041 5.641 -5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.014 4.975 -6.582 1.00 0.00 H new ATOM 1809 N PHE A 119 0.222 1.092 -5.890 1.00 0.00 N ATOM 1810 CA PHE A 119 -0.169 0.005 -6.781 1.00 0.00 C ATOM 1811 C PHE A 119 -1.520 -0.576 -6.372 1.00 0.00 C ATOM 1812 O PHE A 119 -1.614 -1.339 -5.411 1.00 0.00 O ATOM 1813 CB PHE A 119 0.894 -1.095 -6.774 1.00 0.00 C ATOM 1814 CG PHE A 119 2.135 -0.734 -7.540 1.00 0.00 C ATOM 1815 CD1 PHE A 119 2.413 0.588 -7.852 1.00 0.00 C ATOM 1816 CD2 PHE A 119 3.024 -1.716 -7.946 1.00 0.00 C ATOM 1817 CE1 PHE A 119 3.553 0.922 -8.557 1.00 0.00 C ATOM 1818 CE2 PHE A 119 4.167 -1.387 -8.651 1.00 0.00 C ATOM 1819 CZ PHE A 119 4.432 -0.066 -8.956 1.00 0.00 C ATOM 0 H PHE A 119 0.605 0.787 -4.995 1.00 0.00 H new ATOM 0 HA PHE A 119 -0.258 0.410 -7.789 1.00 0.00 H new ATOM 0 HB2 PHE A 119 1.166 -1.320 -5.743 1.00 0.00 H new ATOM 0 HB3 PHE A 119 0.467 -2.004 -7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 119 1.731 1.365 -7.540 1.00 0.00 H new ATOM 0 HD2 PHE A 119 2.822 -2.750 -7.709 1.00 0.00 H new ATOM 0 HE1 PHE A 119 3.757 1.955 -8.796 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.852 -2.162 -8.963 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.325 0.194 -9.505 1.00 0.00 H new ATOM 1829 N VAL A 120 -2.563 -0.206 -7.106 1.00 0.00 N ATOM 1830 CA VAL A 120 -3.910 -0.689 -6.821 1.00 0.00 C ATOM 1831 C VAL A 120 -4.120 -2.091 -7.383 1.00 0.00 C ATOM 1832 O VAL A 120 -4.354 -2.262 -8.580 1.00 0.00 O ATOM 1833 CB VAL A 120 -4.979 0.253 -7.405 1.00 0.00 C ATOM 1834 CG1 VAL A 120 -6.372 -0.318 -7.182 1.00 0.00 C ATOM 1835 CG2 VAL A 120 -4.858 1.641 -6.793 1.00 0.00 C ATOM 0 H VAL A 120 -2.502 0.427 -7.903 1.00 0.00 H new ATOM 0 HA VAL A 120 -4.015 -0.716 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 120 -4.815 0.340 -8.479 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -7.115 0.361 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -6.450 -1.289 -7.672 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.550 -0.436 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -5.621 2.293 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -4.995 1.576 -5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -3.871 2.049 -7.009 1.00 0.00 H new ATOM 1845 N ILE A 121 -4.037 -3.090 -6.511 1.00 0.00 N ATOM 1846 CA ILE A 121 -4.221 -4.477 -6.920 1.00 0.00 C ATOM 1847 C ILE A 121 -5.466 -5.079 -6.279 1.00 0.00 C ATOM 1848 O ILE A 121 -5.765 -4.817 -5.114 1.00 0.00 O ATOM 1849 CB ILE A 121 -3.000 -5.338 -6.551 1.00 0.00 C ATOM 1850 CG1 ILE A 121 -1.704 -4.607 -6.908 1.00 0.00 C ATOM 1851 CG2 ILE A 121 -3.067 -6.685 -7.257 1.00 0.00 C ATOM 1852 CD1 ILE A 121 -0.502 -5.090 -6.127 1.00 0.00 C ATOM 0 H ILE A 121 -3.844 -2.965 -5.517 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.339 -4.474 -8.004 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.011 -5.513 -5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -1.508 -4.731 -7.973 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.838 -3.540 -6.730 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.196 -7.282 -6.985 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -3.974 -7.209 -6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.079 -6.530 -8.336 1.00 0.00 H new ATOM 0 HD11 ILE A 121 0.380 -4.527 -6.432 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.677 -4.941 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -0.342 -6.150 -6.324 1.00 0.00 H new ATOM 1864 N SER A 122 -6.189 -5.887 -7.048 1.00 0.00 N ATOM 1865 CA SER A 122 -7.404 -6.525 -6.556 1.00 0.00 C ATOM 1866 C SER A 122 -7.282 -8.045 -6.614 1.00 0.00 C ATOM 1867 O SER A 122 -8.045 -8.765 -5.971 1.00 0.00 O ATOM 1868 CB SER A 122 -8.613 -6.069 -7.375 1.00 0.00 C ATOM 1869 OG SER A 122 -8.444 -4.738 -7.834 1.00 0.00 O ATOM 0 H SER A 122 -5.954 -6.115 -8.014 1.00 0.00 H new ATOM 0 HA SER A 122 -7.544 -6.228 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.753 -6.736 -8.226 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.515 -6.136 -6.766 1.00 0.00 H new ATOM 0 HG SER A 122 -9.229 -4.470 -8.356 1.00 0.00 H new ATOM 1875 N ASP A 123 -6.316 -8.525 -7.389 1.00 0.00 N ATOM 1876 CA ASP A 123 -6.091 -9.959 -7.531 1.00 0.00 C ATOM 1877 C ASP A 123 -4.716 -10.349 -6.998 1.00 0.00 C ATOM 1878 O ASP A 123 -3.702 -9.768 -7.383 1.00 0.00 O ATOM 1879 CB ASP A 123 -6.218 -10.373 -8.999 1.00 0.00 C ATOM 1880 CG ASP A 123 -6.708 -11.800 -9.155 1.00 0.00 C ATOM 1881 OD1 ASP A 123 -7.838 -12.092 -8.712 1.00 0.00 O ATOM 1882 OD2 ASP A 123 -5.961 -12.623 -9.724 1.00 0.00 O ATOM 0 H ASP A 123 -5.676 -7.942 -7.929 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.849 -10.481 -6.946 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.907 -9.697 -9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.250 -10.268 -9.489 1.00 0.00 H new ATOM 1887 N ARG A 124 -4.690 -11.336 -6.108 1.00 0.00 N ATOM 1888 CA ARG A 124 -3.441 -11.801 -5.519 1.00 0.00 C ATOM 1889 C ARG A 124 -2.419 -12.132 -6.604 1.00 0.00 C ATOM 1890 O ARG A 124 -1.223 -11.885 -6.442 1.00 0.00 O ATOM 1891 CB ARG A 124 -3.692 -13.034 -4.648 1.00 0.00 C ATOM 1892 CG ARG A 124 -4.453 -12.729 -3.368 1.00 0.00 C ATOM 1893 CD ARG A 124 -4.342 -13.871 -2.369 1.00 0.00 C ATOM 1894 NE ARG A 124 -5.285 -14.947 -2.662 1.00 0.00 N ATOM 1895 CZ ARG A 124 -4.916 -16.160 -3.058 1.00 0.00 C ATOM 1896 NH1 ARG A 124 -3.631 -16.449 -3.207 1.00 0.00 N ATOM 1897 NH2 ARG A 124 -5.833 -17.086 -3.305 1.00 0.00 N ATOM 0 H ARG A 124 -5.520 -11.829 -5.779 1.00 0.00 H new ATOM 0 HA ARG A 124 -3.040 -11.000 -4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.251 -13.770 -5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.735 -13.489 -4.392 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.064 -11.814 -2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.502 -12.549 -3.601 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.326 -14.266 -2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.525 -13.492 -1.363 1.00 0.00 H new ATOM 0 HE ARG A 124 -6.282 -14.757 -2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -2.923 -15.739 -3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -3.350 -17.381 -3.511 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -6.823 -16.867 -3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.549 -18.017 -3.609 1.00 0.00 H new ATOM 1911 N LYS A 125 -2.898 -12.692 -7.709 1.00 0.00 N ATOM 1912 CA LYS A 125 -2.028 -13.055 -8.822 1.00 0.00 C ATOM 1913 C LYS A 125 -1.155 -11.876 -9.239 1.00 0.00 C ATOM 1914 O LYS A 125 -0.151 -12.049 -9.928 1.00 0.00 O ATOM 1915 CB LYS A 125 -2.861 -13.534 -10.013 1.00 0.00 C ATOM 1916 CG LYS A 125 -2.166 -14.584 -10.860 1.00 0.00 C ATOM 1917 CD LYS A 125 -1.431 -13.959 -12.034 1.00 0.00 C ATOM 1918 CE LYS A 125 -2.389 -13.576 -13.151 1.00 0.00 C ATOM 1919 NZ LYS A 125 -2.698 -14.732 -14.037 1.00 0.00 N ATOM 0 H LYS A 125 -3.884 -12.905 -7.858 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.378 -13.865 -8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.803 -13.941 -9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.107 -12.678 -10.641 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.461 -15.141 -10.243 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.901 -15.299 -11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.891 -13.074 -11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -0.688 -14.660 -12.415 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.313 -13.191 -12.721 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.954 -12.771 -13.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.354 -14.430 -14.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.819 -15.084 -14.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.137 -15.491 -13.477 1.00 0.00 H new ATOM 1933 N GLU A 126 -1.546 -10.677 -8.815 1.00 0.00 N ATOM 1934 CA GLU A 126 -0.798 -9.470 -9.145 1.00 0.00 C ATOM 1935 C GLU A 126 0.060 -9.022 -7.964 1.00 0.00 C ATOM 1936 O GLU A 126 1.004 -8.251 -8.127 1.00 0.00 O ATOM 1937 CB GLU A 126 -1.753 -8.347 -9.551 1.00 0.00 C ATOM 1938 CG GLU A 126 -2.253 -8.460 -10.982 1.00 0.00 C ATOM 1939 CD GLU A 126 -2.525 -7.108 -11.613 1.00 0.00 C ATOM 1940 OE1 GLU A 126 -3.038 -6.216 -10.905 1.00 0.00 O ATOM 1941 OE2 GLU A 126 -2.227 -6.943 -12.814 1.00 0.00 O ATOM 0 H GLU A 126 -2.375 -10.517 -8.243 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.140 -9.698 -9.984 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.608 -8.347 -8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.248 -7.389 -9.426 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.514 -8.994 -11.580 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -3.166 -9.055 -10.998 1.00 0.00 H new ATOM 1948 N LEU A 127 -0.278 -9.511 -6.776 1.00 0.00 N ATOM 1949 CA LEU A 127 0.460 -9.162 -5.568 1.00 0.00 C ATOM 1950 C LEU A 127 1.883 -9.706 -5.622 1.00 0.00 C ATOM 1951 O LEU A 127 2.751 -9.281 -4.860 1.00 0.00 O ATOM 1952 CB LEU A 127 -0.260 -9.706 -4.331 1.00 0.00 C ATOM 1953 CG LEU A 127 -1.391 -8.824 -3.800 1.00 0.00 C ATOM 1954 CD1 LEU A 127 -0.829 -7.657 -3.004 1.00 0.00 C ATOM 1955 CD2 LEU A 127 -2.256 -8.321 -4.946 1.00 0.00 C ATOM 0 H LEU A 127 -1.058 -10.150 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 127 0.509 -8.075 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.667 -10.689 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.472 -9.849 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.013 -9.424 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.648 -7.041 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.251 -8.036 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.184 -7.056 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.056 -7.695 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.645 -7.737 -5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.688 -9.170 -5.476 1.00 0.00 H new ATOM 1967 N GLU A 128 2.116 -10.649 -6.529 1.00 0.00 N ATOM 1968 CA GLU A 128 3.434 -11.254 -6.683 1.00 0.00 C ATOM 1969 C GLU A 128 4.513 -10.180 -6.796 1.00 0.00 C ATOM 1970 O GLU A 128 4.659 -9.540 -7.837 1.00 0.00 O ATOM 1971 CB GLU A 128 3.465 -12.157 -7.917 1.00 0.00 C ATOM 1972 CG GLU A 128 2.260 -13.074 -8.031 1.00 0.00 C ATOM 1973 CD GLU A 128 2.583 -14.380 -8.731 1.00 0.00 C ATOM 1974 OE1 GLU A 128 3.581 -15.027 -8.350 1.00 0.00 O ATOM 1975 OE2 GLU A 128 1.838 -14.755 -9.661 1.00 0.00 O ATOM 0 H GLU A 128 1.409 -11.011 -7.169 1.00 0.00 H new ATOM 0 HA GLU A 128 3.636 -11.857 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.523 -11.535 -8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.371 -12.763 -7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.875 -13.287 -7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.468 -12.560 -8.576 1.00 0.00 H new ATOM 1982 N GLU A 129 5.267 -9.991 -5.718 1.00 0.00 N ATOM 1983 CA GLU A 129 6.332 -8.996 -5.696 1.00 0.00 C ATOM 1984 C GLU A 129 7.065 -8.953 -7.034 1.00 0.00 C ATOM 1985 O GLU A 129 7.471 -7.888 -7.498 1.00 0.00 O ATOM 1986 CB GLU A 129 7.322 -9.298 -4.570 1.00 0.00 C ATOM 1987 CG GLU A 129 8.439 -10.245 -4.978 1.00 0.00 C ATOM 1988 CD GLU A 129 8.967 -11.061 -3.814 1.00 0.00 C ATOM 1989 OE1 GLU A 129 8.194 -11.306 -2.864 1.00 0.00 O ATOM 1990 OE2 GLU A 129 10.151 -11.455 -3.854 1.00 0.00 O ATOM 0 H GLU A 129 5.160 -10.514 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 129 5.878 -8.021 -5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.760 -8.362 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.781 -9.730 -3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.074 -10.919 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.256 -9.670 -5.414 1.00 0.00 H new ATOM 1997 N ASP A 130 7.230 -10.120 -7.648 1.00 0.00 N ATOM 1998 CA ASP A 130 7.914 -10.218 -8.933 1.00 0.00 C ATOM 1999 C ASP A 130 7.291 -9.270 -9.953 1.00 0.00 C ATOM 2000 O ASP A 130 7.998 -8.557 -10.665 1.00 0.00 O ATOM 2001 CB ASP A 130 7.861 -11.655 -9.454 1.00 0.00 C ATOM 2002 CG ASP A 130 8.761 -12.589 -8.669 1.00 0.00 C ATOM 2003 OD1 ASP A 130 8.289 -13.162 -7.665 1.00 0.00 O ATOM 2004 OD2 ASP A 130 9.938 -12.744 -9.057 1.00 0.00 O ATOM 0 H ASP A 130 6.900 -11.011 -7.277 1.00 0.00 H new ATOM 0 HA ASP A 130 8.955 -9.931 -8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.834 -12.018 -9.405 1.00 0.00 H new ATOM 0 HB3 ASP A 130 8.155 -11.669 -10.504 1.00 0.00 H new ATOM 2009 N PHE A 131 5.963 -9.269 -10.018 1.00 0.00 N ATOM 2010 CA PHE A 131 5.245 -8.410 -10.953 1.00 0.00 C ATOM 2011 C PHE A 131 5.408 -6.940 -10.578 1.00 0.00 C ATOM 2012 O PHE A 131 5.530 -6.077 -11.447 1.00 0.00 O ATOM 2013 CB PHE A 131 3.760 -8.781 -10.980 1.00 0.00 C ATOM 2014 CG PHE A 131 2.912 -7.798 -11.735 1.00 0.00 C ATOM 2015 CD1 PHE A 131 3.240 -7.432 -13.030 1.00 0.00 C ATOM 2016 CD2 PHE A 131 1.785 -7.242 -11.150 1.00 0.00 C ATOM 2017 CE1 PHE A 131 2.461 -6.527 -13.728 1.00 0.00 C ATOM 2018 CE2 PHE A 131 1.002 -6.337 -11.843 1.00 0.00 C ATOM 2019 CZ PHE A 131 1.340 -5.981 -13.133 1.00 0.00 C ATOM 0 H PHE A 131 5.363 -9.853 -9.435 1.00 0.00 H new ATOM 0 HA PHE A 131 5.669 -8.561 -11.946 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.648 -9.767 -11.431 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.393 -8.855 -9.956 1.00 0.00 H new ATOM 0 HD1 PHE A 131 4.114 -7.858 -13.500 1.00 0.00 H new ATOM 0 HD2 PHE A 131 1.515 -7.519 -10.141 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.729 -6.248 -14.736 1.00 0.00 H new ATOM 0 HE2 PHE A 131 0.127 -5.909 -11.376 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.729 -5.276 -13.677 1.00 0.00 H new ATOM 2029 N ILE A 132 5.408 -6.665 -9.278 1.00 0.00 N ATOM 2030 CA ILE A 132 5.556 -5.301 -8.787 1.00 0.00 C ATOM 2031 C ILE A 132 6.832 -4.659 -9.322 1.00 0.00 C ATOM 2032 O ILE A 132 6.810 -3.535 -9.824 1.00 0.00 O ATOM 2033 CB ILE A 132 5.579 -5.256 -7.248 1.00 0.00 C ATOM 2034 CG1 ILE A 132 4.353 -5.970 -6.676 1.00 0.00 C ATOM 2035 CG2 ILE A 132 5.636 -3.815 -6.760 1.00 0.00 C ATOM 2036 CD1 ILE A 132 3.048 -5.274 -6.992 1.00 0.00 C ATOM 0 H ILE A 132 5.307 -7.368 -8.546 1.00 0.00 H new ATOM 0 HA ILE A 132 4.692 -4.741 -9.146 1.00 0.00 H new ATOM 0 HB ILE A 132 6.473 -5.773 -6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.318 -6.986 -7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.461 -6.050 -5.594 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.652 -3.800 -5.670 1.00 0.00 H new ATOM 0 HG22 ILE A 132 6.538 -3.337 -7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.759 -3.275 -7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 132 2.222 -5.835 -6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.063 -4.267 -6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.918 -5.218 -8.073 1.00 0.00 H new ATOM 2048 N ARG A 133 7.942 -5.382 -9.213 1.00 0.00 N ATOM 2049 CA ARG A 133 9.227 -4.885 -9.688 1.00 0.00 C ATOM 2050 C ARG A 133 9.118 -4.375 -11.122 1.00 0.00 C ATOM 2051 O ARG A 133 9.372 -3.202 -11.396 1.00 0.00 O ATOM 2052 CB ARG A 133 10.286 -5.985 -9.605 1.00 0.00 C ATOM 2053 CG ARG A 133 11.096 -5.956 -8.319 1.00 0.00 C ATOM 2054 CD ARG A 133 10.240 -6.311 -7.114 1.00 0.00 C ATOM 2055 NE ARG A 133 11.019 -6.956 -6.059 1.00 0.00 N ATOM 2056 CZ ARG A 133 11.977 -6.341 -5.373 1.00 0.00 C ATOM 2057 NH1 ARG A 133 12.271 -5.075 -5.628 1.00 0.00 N ATOM 2058 NH2 ARG A 133 12.642 -6.995 -4.429 1.00 0.00 N ATOM 0 H ARG A 133 7.977 -6.314 -8.800 1.00 0.00 H new ATOM 0 HA ARG A 133 9.525 -4.055 -9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 133 9.797 -6.955 -9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.964 -5.890 -10.453 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.927 -6.657 -8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.527 -4.964 -8.181 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.776 -5.407 -6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.433 -6.974 -7.426 1.00 0.00 H new ATOM 0 HE ARG A 133 10.817 -7.931 -5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.762 -4.569 -6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.007 -4.606 -5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 133 12.418 -7.970 -4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.377 -6.523 -3.903 1.00 0.00 H new ATOM 2072 N SER A 134 8.738 -5.266 -12.033 1.00 0.00 N ATOM 2073 CA SER A 134 8.600 -4.908 -13.439 1.00 0.00 C ATOM 2074 C SER A 134 7.999 -3.514 -13.589 1.00 0.00 C ATOM 2075 O SER A 134 8.415 -2.737 -14.447 1.00 0.00 O ATOM 2076 CB SER A 134 7.726 -5.934 -14.164 1.00 0.00 C ATOM 2077 OG SER A 134 7.937 -5.885 -15.564 1.00 0.00 O ATOM 0 H SER A 134 8.521 -6.240 -11.822 1.00 0.00 H new ATOM 0 HA SER A 134 9.594 -4.905 -13.887 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.951 -6.934 -13.794 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.676 -5.742 -13.944 1.00 0.00 H new ATOM 0 HG SER A 134 7.368 -6.551 -16.004 1.00 0.00 H new ATOM 2083 N GLU A 135 7.018 -3.206 -12.747 1.00 0.00 N ATOM 2084 CA GLU A 135 6.359 -1.906 -12.785 1.00 0.00 C ATOM 2085 C GLU A 135 7.323 -0.794 -12.383 1.00 0.00 C ATOM 2086 O GLU A 135 7.563 0.142 -13.146 1.00 0.00 O ATOM 2087 CB GLU A 135 5.140 -1.899 -11.859 1.00 0.00 C ATOM 2088 CG GLU A 135 4.058 -2.883 -12.270 1.00 0.00 C ATOM 2089 CD GLU A 135 3.461 -2.561 -13.625 1.00 0.00 C ATOM 2090 OE1 GLU A 135 3.109 -1.384 -13.855 1.00 0.00 O ATOM 2091 OE2 GLU A 135 3.344 -3.485 -14.457 1.00 0.00 O ATOM 0 H GLU A 135 6.662 -3.839 -12.030 1.00 0.00 H new ATOM 0 HA GLU A 135 6.030 -1.725 -13.808 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.464 -2.131 -10.844 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.717 -0.895 -11.837 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.476 -3.889 -12.291 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.268 -2.882 -11.519 1.00 0.00 H new