USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=20 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 Set 1.1: A 21 TYR OH : rot -153:sc= 0.241 USER MOD Set 1.2: A 114 ASN :FLIP amide:sc= -0.535 F(o=-5.1!,f=-0.29) USER MOD Set 2.1: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc=-0.00871 (180deg=-0.122) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot -120:sc= -3.25 USER MOD Single : A 22 ASN : amide:sc= -4.94! C(o=-4.9!,f=-8.8!) USER MOD Single : A 35 THR OG1 : rot -75:sc= -0.714 USER MOD Single : A 38 TYR OH : rot -39:sc= -0.074 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.361 USER MOD Single : A 48 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.7!) USER MOD Single : A 52 TYR OH : rot -25:sc= 0.126 USER MOD Single : A 53 GLN :FLIP amide:sc= -1.74! C(o=-2.4!,f=-1.7!) USER MOD Single : A 54 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.013) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.981 F(o=-1.8!,f=-0.98) USER MOD Single : A 58 GLN : amide:sc= -2.56! C(o=-2.6!,f=-7.4!) USER MOD Single : A 59 CYS SG : rot 106:sc= -1.04 USER MOD Single : A 60 THR OG1 : rot 180:sc= -3.18! USER MOD Single : A 87 THR OG1 : rot -94:sc= 0.408 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.72 K(o=-1.7,f=-3.5) USER MOD Single : A 101 THR OG1 : rot 72:sc= 0.254 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.764 K(o=0.76,f=-2.4!) 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+ -169:sc= 0 (180deg=-0.0577) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LYS A 11 -10.332 8.861 8.813 1.00 0.00 N ATOM 117 CA LYS A 11 -9.129 9.429 9.408 1.00 0.00 C ATOM 118 C LYS A 11 -7.937 8.496 9.221 1.00 0.00 C ATOM 119 O LYS A 11 -8.061 7.429 8.617 1.00 0.00 O ATOM 120 CB LYS A 11 -9.350 9.699 10.898 1.00 0.00 C ATOM 121 CG LYS A 11 -10.514 10.631 11.182 1.00 0.00 C ATOM 122 CD LYS A 11 -10.288 11.434 12.452 1.00 0.00 C ATOM 123 CE LYS A 11 -9.465 12.685 12.181 1.00 0.00 C ATOM 124 NZ LYS A 11 -10.254 13.724 11.462 1.00 0.00 N ATOM 0 HA LYS A 11 -8.914 10.371 8.903 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.522 8.751 11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.441 10.128 11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.651 11.310 10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.432 10.050 11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.249 11.716 12.882 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.778 10.814 13.190 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.103 13.093 13.125 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.588 12.422 11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.767 14.640 11.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.347 13.458 10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.199 13.800 11.889 1.00 0.00 H new ATOM 138 N ILE A 12 -6.784 8.903 9.742 1.00 0.00 N ATOM 139 CA ILE A 12 -5.572 8.101 9.633 1.00 0.00 C ATOM 140 C ILE A 12 -4.705 8.244 10.880 1.00 0.00 C ATOM 141 O ILE A 12 -4.549 9.341 11.416 1.00 0.00 O ATOM 142 CB ILE A 12 -4.743 8.498 8.397 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.467 7.659 8.321 1.00 0.00 C ATOM 144 CG2 ILE A 12 -4.408 9.981 8.438 1.00 0.00 C ATOM 145 CD1 ILE A 12 -2.743 7.778 6.998 1.00 0.00 C ATOM 0 H ILE A 12 -6.664 9.783 10.243 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.888 7.063 9.530 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.335 8.305 7.503 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.794 7.963 9.123 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.719 6.613 8.495 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.822 10.246 7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.330 10.562 8.449 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.831 10.199 9.337 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.848 7.156 7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.399 7.446 6.193 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.460 8.817 6.830 1.00 0.00 H new ATOM 157 N ASP A 13 -4.142 7.130 11.333 1.00 0.00 N ATOM 158 CA ASP A 13 -3.287 7.131 12.515 1.00 0.00 C ATOM 159 C ASP A 13 -1.872 7.576 12.161 1.00 0.00 C ATOM 160 O ASP A 13 -0.894 6.937 12.548 1.00 0.00 O ATOM 161 CB ASP A 13 -3.255 5.739 13.147 1.00 0.00 C ATOM 162 CG ASP A 13 -4.336 5.552 14.193 1.00 0.00 C ATOM 163 OD1 ASP A 13 -5.393 6.209 14.078 1.00 0.00 O ATOM 164 OD2 ASP A 13 -4.126 4.749 15.126 1.00 0.00 O ATOM 0 H ASP A 13 -4.262 6.214 10.900 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.701 7.838 13.233 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.374 4.987 12.367 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.279 5.573 13.604 1.00 0.00 H new ATOM 169 N LYS A 14 -1.771 8.677 11.423 1.00 0.00 N ATOM 170 CA LYS A 14 -0.475 9.209 11.017 1.00 0.00 C ATOM 171 C LYS A 14 0.617 8.787 11.994 1.00 0.00 C ATOM 172 O LYS A 14 1.672 8.303 11.586 1.00 0.00 O ATOM 173 CB LYS A 14 -0.534 10.737 10.930 1.00 0.00 C ATOM 174 CG LYS A 14 -0.918 11.253 9.555 1.00 0.00 C ATOM 175 CD LYS A 14 -1.158 12.753 9.569 1.00 0.00 C ATOM 176 CE LYS A 14 -1.538 13.271 8.190 1.00 0.00 C ATOM 177 NZ LYS A 14 -2.110 14.643 8.251 1.00 0.00 N ATOM 0 H LYS A 14 -2.571 9.218 11.094 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.235 8.803 10.034 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.253 11.107 11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.439 11.146 11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.127 11.017 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.818 10.743 9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.951 12.989 10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.259 13.263 9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.657 13.273 7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.263 12.595 7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.356 14.960 7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.965 14.637 8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.410 15.293 8.661 1.00 0.00 H new ATOM 191 N GLU A 15 0.356 8.972 13.284 1.00 0.00 N ATOM 192 CA GLU A 15 1.318 8.609 14.318 1.00 0.00 C ATOM 193 C GLU A 15 1.762 7.157 14.162 1.00 0.00 C ATOM 194 O GLU A 15 2.955 6.867 14.075 1.00 0.00 O ATOM 195 CB GLU A 15 0.714 8.823 15.707 1.00 0.00 C ATOM 196 CG GLU A 15 -0.635 8.147 15.894 1.00 0.00 C ATOM 197 CD GLU A 15 -1.385 8.667 17.104 1.00 0.00 C ATOM 198 OE1 GLU A 15 -0.777 8.744 18.192 1.00 0.00 O ATOM 199 OE2 GLU A 15 -2.582 8.997 16.964 1.00 0.00 O ATOM 0 H GLU A 15 -0.513 9.371 13.638 1.00 0.00 H new ATOM 0 HA GLU A 15 2.191 9.252 14.207 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.408 8.445 16.458 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.603 9.893 15.885 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.241 8.301 15.001 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.487 7.072 15.997 1.00 0.00 H new ATOM 206 N ALA A 16 0.793 6.249 14.127 1.00 0.00 N ATOM 207 CA ALA A 16 1.082 4.827 13.980 1.00 0.00 C ATOM 208 C ALA A 16 1.544 4.505 12.563 1.00 0.00 C ATOM 209 O ALA A 16 2.378 3.623 12.357 1.00 0.00 O ATOM 210 CB ALA A 16 -0.143 4.000 14.339 1.00 0.00 C ATOM 0 H ALA A 16 -0.200 6.472 14.198 1.00 0.00 H new ATOM 0 HA ALA A 16 1.891 4.573 14.664 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.087 2.941 14.225 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.427 4.200 15.372 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.968 4.266 13.678 1.00 0.00 H new ATOM 216 N CYS A 17 0.995 5.224 11.589 1.00 0.00 N ATOM 217 CA CYS A 17 1.350 5.013 10.190 1.00 0.00 C ATOM 218 C CYS A 17 2.828 5.306 9.954 1.00 0.00 C ATOM 219 O CYS A 17 3.586 4.429 9.538 1.00 0.00 O ATOM 220 CB CYS A 17 0.491 5.896 9.285 1.00 0.00 C ATOM 221 SG CYS A 17 -1.285 5.774 9.603 1.00 0.00 S ATOM 0 H CYS A 17 0.303 5.957 11.743 1.00 0.00 H new ATOM 0 HA CYS A 17 1.163 3.967 9.947 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.801 6.934 9.408 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.682 5.628 8.246 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.891 5.362 8.529 1.00 0.00 H new ATOM 227 N ARG A 18 3.231 6.544 10.222 1.00 0.00 N ATOM 228 CA ARG A 18 4.618 6.953 10.035 1.00 0.00 C ATOM 229 C ARG A 18 5.574 5.904 10.594 1.00 0.00 C ATOM 230 O ARG A 18 6.587 5.582 9.976 1.00 0.00 O ATOM 231 CB ARG A 18 4.868 8.301 10.713 1.00 0.00 C ATOM 232 CG ARG A 18 6.282 8.826 10.520 1.00 0.00 C ATOM 233 CD ARG A 18 6.625 9.895 11.545 1.00 0.00 C ATOM 234 NE ARG A 18 6.523 9.392 12.914 1.00 0.00 N ATOM 235 CZ ARG A 18 6.640 10.163 13.990 1.00 0.00 C ATOM 236 NH1 ARG A 18 6.859 11.464 13.857 1.00 0.00 N ATOM 237 NH2 ARG A 18 6.535 9.632 15.201 1.00 0.00 N ATOM 0 H ARG A 18 2.617 7.281 10.569 1.00 0.00 H new ATOM 0 HA ARG A 18 4.802 7.052 8.965 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.161 9.032 10.321 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.668 8.204 11.780 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.991 8.002 10.601 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.384 9.237 9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.637 10.258 11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.955 10.746 11.420 1.00 0.00 H new ATOM 0 HE ARG A 18 6.353 8.396 13.051 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.938 11.875 12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.948 12.053 14.685 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.364 8.632 15.306 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.625 10.224 16.027 1.00 0.00 H new ATOM 251 N ALA A 19 5.244 5.375 11.768 1.00 0.00 N ATOM 252 CA ALA A 19 6.072 4.362 12.409 1.00 0.00 C ATOM 253 C ALA A 19 6.213 3.128 11.525 1.00 0.00 C ATOM 254 O ALA A 19 7.319 2.643 11.292 1.00 0.00 O ATOM 255 CB ALA A 19 5.488 3.982 13.762 1.00 0.00 C ATOM 0 H ALA A 19 4.409 5.632 12.294 1.00 0.00 H new ATOM 0 HA ALA A 19 7.066 4.783 12.560 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.117 3.224 14.230 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.446 4.864 14.401 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.482 3.585 13.626 1.00 0.00 H new ATOM 261 N ALA A 20 5.085 2.624 11.037 1.00 0.00 N ATOM 262 CA ALA A 20 5.083 1.446 10.178 1.00 0.00 C ATOM 263 C ALA A 20 5.804 1.725 8.863 1.00 0.00 C ATOM 264 O ALA A 20 6.539 0.878 8.355 1.00 0.00 O ATOM 265 CB ALA A 20 3.657 0.988 9.913 1.00 0.00 C ATOM 0 H ALA A 20 4.160 3.013 11.222 1.00 0.00 H new ATOM 0 HA ALA A 20 5.618 0.649 10.694 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.671 0.108 9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.173 0.740 10.858 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.104 1.788 9.421 1.00 0.00 H new ATOM 271 N TYR A 21 5.587 2.916 8.316 1.00 0.00 N ATOM 272 CA TYR A 21 6.215 3.305 7.059 1.00 0.00 C ATOM 273 C TYR A 21 7.724 3.455 7.226 1.00 0.00 C ATOM 274 O TYR A 21 8.477 3.374 6.257 1.00 0.00 O ATOM 275 CB TYR A 21 5.614 4.616 6.549 1.00 0.00 C ATOM 276 CG TYR A 21 6.597 5.478 5.789 1.00 0.00 C ATOM 277 CD1 TYR A 21 7.392 6.406 6.450 1.00 0.00 C ATOM 278 CD2 TYR A 21 6.731 5.365 4.411 1.00 0.00 C ATOM 279 CE1 TYR A 21 8.292 7.196 5.761 1.00 0.00 C ATOM 280 CE2 TYR A 21 7.628 6.149 3.714 1.00 0.00 C ATOM 281 CZ TYR A 21 8.406 7.063 4.392 1.00 0.00 C ATOM 282 OH TYR A 21 9.301 7.848 3.701 1.00 0.00 O ATOM 0 H TYR A 21 4.981 3.628 8.723 1.00 0.00 H new ATOM 0 HA TYR A 21 6.026 2.518 6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.766 4.390 5.902 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.227 5.182 7.396 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.305 6.512 7.521 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.123 4.651 3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.902 7.913 6.290 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.720 6.047 2.643 1.00 0.00 H new ATOM 0 HH TYR A 21 8.989 7.966 2.779 1.00 0.00 H new ATOM 292 N ASN A 22 8.156 3.673 8.464 1.00 0.00 N ATOM 293 CA ASN A 22 9.575 3.833 8.760 1.00 0.00 C ATOM 294 C ASN A 22 10.241 2.480 8.985 1.00 0.00 C ATOM 295 O ASN A 22 11.310 2.204 8.440 1.00 0.00 O ATOM 296 CB ASN A 22 9.763 4.719 9.993 1.00 0.00 C ATOM 297 CG ASN A 22 9.711 6.196 9.659 1.00 0.00 C ATOM 298 OD1 ASN A 22 10.353 6.653 8.714 1.00 0.00 O ATOM 299 ND2 ASN A 22 8.942 6.952 10.435 1.00 0.00 N ATOM 0 H ASN A 22 7.545 3.743 9.277 1.00 0.00 H new ATOM 0 HA ASN A 22 10.048 4.311 7.902 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.989 4.488 10.724 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.721 4.489 10.459 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.867 7.954 10.258 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.427 6.531 11.208 1.00 0.00 H new ATOM 306 N LEU A 23 9.602 1.639 9.790 1.00 0.00 N ATOM 307 CA LEU A 23 10.131 0.313 10.088 1.00 0.00 C ATOM 308 C LEU A 23 10.556 -0.403 8.810 1.00 0.00 C ATOM 309 O LEU A 23 11.351 -1.342 8.845 1.00 0.00 O ATOM 310 CB LEU A 23 9.086 -0.521 10.831 1.00 0.00 C ATOM 311 CG LEU A 23 9.238 -0.546 12.351 1.00 0.00 C ATOM 312 CD1 LEU A 23 10.404 -1.433 12.757 1.00 0.00 C ATOM 313 CD2 LEU A 23 9.427 0.864 12.890 1.00 0.00 C ATOM 0 H LEU A 23 8.716 1.852 10.248 1.00 0.00 H new ATOM 0 HA LEU A 23 11.008 0.434 10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.096 -0.136 10.587 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.130 -1.545 10.460 1.00 0.00 H new ATOM 0 HG LEU A 23 8.326 -0.960 12.781 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.496 -1.438 13.843 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.229 -2.449 12.403 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.324 -1.049 12.316 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.534 0.828 13.974 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.323 1.304 12.452 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.560 1.472 12.631 1.00 0.00 H new ATOM 325 N VAL A 24 10.019 0.048 7.680 1.00 0.00 N ATOM 326 CA VAL A 24 10.341 -0.549 6.389 1.00 0.00 C ATOM 327 C VAL A 24 11.289 0.343 5.594 1.00 0.00 C ATOM 328 O VAL A 24 12.062 -0.138 4.765 1.00 0.00 O ATOM 329 CB VAL A 24 9.072 -0.803 5.555 1.00 0.00 C ATOM 330 CG1 VAL A 24 8.234 0.463 5.457 1.00 0.00 C ATOM 331 CG2 VAL A 24 9.438 -1.318 4.171 1.00 0.00 C ATOM 0 H VAL A 24 9.359 0.825 7.633 1.00 0.00 H new ATOM 0 HA VAL A 24 10.828 -1.503 6.593 1.00 0.00 H new ATOM 0 HB VAL A 24 8.476 -1.566 6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.342 0.264 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.941 0.784 6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.818 1.250 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.529 -1.492 3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.056 -0.580 3.660 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.992 -2.252 4.265 1.00 0.00 H new ATOM 341 N ARG A 25 11.223 1.646 5.852 1.00 0.00 N ATOM 342 CA ARG A 25 12.075 2.605 5.159 1.00 0.00 C ATOM 343 C ARG A 25 13.489 2.588 5.731 1.00 0.00 C ATOM 344 O ARG A 25 14.451 2.934 5.045 1.00 0.00 O ATOM 345 CB ARG A 25 11.487 4.013 5.269 1.00 0.00 C ATOM 346 CG ARG A 25 12.157 4.873 6.327 1.00 0.00 C ATOM 347 CD ARG A 25 11.679 6.315 6.257 1.00 0.00 C ATOM 348 NE ARG A 25 12.428 7.184 7.160 1.00 0.00 N ATOM 349 CZ ARG A 25 12.434 8.509 7.067 1.00 0.00 C ATOM 350 NH1 ARG A 25 11.734 9.114 6.118 1.00 0.00 N ATOM 351 NH2 ARG A 25 13.142 9.233 7.926 1.00 0.00 N ATOM 0 H ARG A 25 10.589 2.061 6.535 1.00 0.00 H new ATOM 0 HA ARG A 25 12.123 2.318 4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.572 4.509 4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.424 3.937 5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.946 4.466 7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 25 13.238 4.840 6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.780 6.681 5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.619 6.358 6.508 1.00 0.00 H new ATOM 0 HE ARG A 25 12.976 6.750 7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.188 8.562 5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.741 10.132 6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.682 8.772 8.658 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.146 10.250 7.854 1.00 0.00 H new ATOM 365 N ASP A 26 13.608 2.184 6.991 1.00 0.00 N ATOM 366 CA ASP A 26 14.905 2.122 7.655 1.00 0.00 C ATOM 367 C ASP A 26 15.700 0.909 7.181 1.00 0.00 C ATOM 368 O ASP A 26 15.184 0.062 6.453 1.00 0.00 O ATOM 369 CB ASP A 26 14.722 2.065 9.173 1.00 0.00 C ATOM 370 CG ASP A 26 16.043 2.102 9.916 1.00 0.00 C ATOM 371 OD1 ASP A 26 16.954 2.832 9.473 1.00 0.00 O ATOM 372 OD2 ASP A 26 16.166 1.400 10.941 1.00 0.00 O ATOM 0 H ASP A 26 12.822 1.895 7.573 1.00 0.00 H new ATOM 0 HA ASP A 26 15.462 3.023 7.397 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.104 2.904 9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.185 1.154 9.438 1.00 0.00 H new ATOM 417 N VAL A 31 12.152 -5.469 8.726 1.00 0.00 N ATOM 418 CA VAL A 31 10.881 -5.253 8.044 1.00 0.00 C ATOM 419 C VAL A 31 11.099 -4.725 6.630 1.00 0.00 C ATOM 420 O VAL A 31 11.845 -3.766 6.424 1.00 0.00 O ATOM 421 CB VAL A 31 9.989 -4.265 8.818 1.00 0.00 C ATOM 422 CG1 VAL A 31 8.717 -3.970 8.038 1.00 0.00 C ATOM 423 CG2 VAL A 31 9.662 -4.812 10.199 1.00 0.00 C ATOM 0 HA VAL A 31 10.380 -6.220 7.994 1.00 0.00 H new ATOM 0 HB VAL A 31 10.536 -3.330 8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.099 -3.270 8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.975 -3.532 7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.164 -4.896 7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.031 -4.101 10.732 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.135 -5.761 10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.585 -4.967 10.757 1.00 0.00 H new ATOM 433 N ILE A 32 10.444 -5.354 5.661 1.00 0.00 N ATOM 434 CA ILE A 32 10.566 -4.946 4.267 1.00 0.00 C ATOM 435 C ILE A 32 9.212 -4.539 3.694 1.00 0.00 C ATOM 436 O ILE A 32 9.138 -3.917 2.635 1.00 0.00 O ATOM 437 CB ILE A 32 11.160 -6.072 3.401 1.00 0.00 C ATOM 438 CG1 ILE A 32 10.074 -7.080 3.019 1.00 0.00 C ATOM 439 CG2 ILE A 32 12.297 -6.763 4.138 1.00 0.00 C ATOM 440 CD1 ILE A 32 10.515 -8.073 1.967 1.00 0.00 C ATOM 0 H ILE A 32 9.823 -6.148 5.815 1.00 0.00 H new ATOM 0 HA ILE A 32 11.240 -4.089 4.246 1.00 0.00 H new ATOM 0 HB ILE A 32 11.559 -5.634 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.763 -7.623 3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.200 -6.540 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.707 -7.557 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.079 -6.038 4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.921 -7.191 5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.695 -8.756 1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.798 -7.540 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.370 -8.639 2.337 1.00 0.00 H new ATOM 452 N TRP A 33 8.146 -4.893 4.402 1.00 0.00 N ATOM 453 CA TRP A 33 6.794 -4.563 3.964 1.00 0.00 C ATOM 454 C TRP A 33 5.909 -4.208 5.153 1.00 0.00 C ATOM 455 O TRP A 33 6.246 -4.501 6.301 1.00 0.00 O ATOM 456 CB TRP A 33 6.186 -5.735 3.191 1.00 0.00 C ATOM 457 CG TRP A 33 6.016 -6.970 4.023 1.00 0.00 C ATOM 458 CD1 TRP A 33 6.829 -8.067 4.037 1.00 0.00 C ATOM 459 CD2 TRP A 33 4.965 -7.235 4.959 1.00 0.00 C ATOM 460 NE1 TRP A 33 6.346 -8.998 4.926 1.00 0.00 N ATOM 461 CE2 TRP A 33 5.204 -8.511 5.505 1.00 0.00 C ATOM 462 CE3 TRP A 33 3.846 -6.516 5.391 1.00 0.00 C ATOM 463 CZ2 TRP A 33 4.366 -9.082 6.457 1.00 0.00 C ATOM 464 CZ3 TRP A 33 3.014 -7.085 6.336 1.00 0.00 C ATOM 465 CH2 TRP A 33 3.277 -8.357 6.862 1.00 0.00 C ATOM 0 H TRP A 33 8.191 -5.408 5.281 1.00 0.00 H new ATOM 0 HA TRP A 33 6.853 -3.695 3.307 1.00 0.00 H new ATOM 0 HB2 TRP A 33 5.216 -5.436 2.795 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.821 -5.966 2.336 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.720 -8.186 3.438 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.770 -9.905 5.123 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.636 -5.534 4.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.567 -10.063 6.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 2.146 -6.540 6.675 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.608 -8.773 7.601 1.00 0.00 H new ATOM 476 N VAL A 34 4.773 -3.576 4.872 1.00 0.00 N ATOM 477 CA VAL A 34 3.838 -3.183 5.919 1.00 0.00 C ATOM 478 C VAL A 34 2.457 -2.894 5.342 1.00 0.00 C ATOM 479 O VAL A 34 2.330 -2.298 4.272 1.00 0.00 O ATOM 480 CB VAL A 34 4.336 -1.938 6.677 1.00 0.00 C ATOM 481 CG1 VAL A 34 4.453 -0.749 5.735 1.00 0.00 C ATOM 482 CG2 VAL A 34 3.410 -1.618 7.841 1.00 0.00 C ATOM 0 H VAL A 34 4.479 -3.326 3.928 1.00 0.00 H new ATOM 0 HA VAL A 34 3.770 -4.020 6.614 1.00 0.00 H new ATOM 0 HB VAL A 34 5.327 -2.151 7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.806 0.121 6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.160 -0.984 4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.477 -0.531 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.777 -0.736 8.366 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.405 -1.425 7.464 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.384 -2.464 8.528 1.00 0.00 H new ATOM 492 N THR A 35 1.421 -3.320 6.058 1.00 0.00 N ATOM 493 CA THR A 35 0.048 -3.107 5.619 1.00 0.00 C ATOM 494 C THR A 35 -0.657 -2.079 6.494 1.00 0.00 C ATOM 495 O THR A 35 -0.292 -1.880 7.653 1.00 0.00 O ATOM 496 CB THR A 35 -0.757 -4.420 5.637 1.00 0.00 C ATOM 497 OG1 THR A 35 -0.436 -5.175 6.813 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.465 -5.254 4.399 1.00 0.00 C ATOM 0 H THR A 35 1.507 -3.815 6.946 1.00 0.00 H new ATOM 0 HA THR A 35 0.098 -2.734 4.596 1.00 0.00 H new ATOM 0 HB THR A 35 -1.818 -4.169 5.643 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.447 -5.587 6.706 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.046 -6.176 4.436 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.737 -4.689 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.597 -5.496 4.365 1.00 0.00 H new ATOM 506 N PHE A 36 -1.672 -1.428 5.934 1.00 0.00 N ATOM 507 CA PHE A 36 -2.429 -0.419 6.665 1.00 0.00 C ATOM 508 C PHE A 36 -3.930 -0.624 6.479 1.00 0.00 C ATOM 509 O PHE A 36 -4.507 -0.193 5.482 1.00 0.00 O ATOM 510 CB PHE A 36 -2.034 0.983 6.199 1.00 0.00 C ATOM 511 CG PHE A 36 -0.565 1.268 6.331 1.00 0.00 C ATOM 512 CD1 PHE A 36 -0.038 1.712 7.533 1.00 0.00 C ATOM 513 CD2 PHE A 36 0.289 1.090 5.254 1.00 0.00 C ATOM 514 CE1 PHE A 36 1.314 1.974 7.658 1.00 0.00 C ATOM 515 CE2 PHE A 36 1.640 1.350 5.374 1.00 0.00 C ATOM 516 CZ PHE A 36 2.154 1.793 6.577 1.00 0.00 C ATOM 0 H PHE A 36 -1.989 -1.582 4.977 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.194 -0.522 7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.328 1.107 5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.592 1.720 6.777 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.690 1.855 8.382 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.106 0.744 4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.713 2.320 8.600 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.295 1.207 4.527 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.210 1.997 6.672 1.00 0.00 H new ATOM 526 N ARG A 37 -4.554 -1.288 7.447 1.00 0.00 N ATOM 527 CA ARG A 37 -5.987 -1.552 7.390 1.00 0.00 C ATOM 528 C ARG A 37 -6.759 -0.559 8.254 1.00 0.00 C ATOM 529 O ARG A 37 -6.165 0.271 8.944 1.00 0.00 O ATOM 530 CB ARG A 37 -6.281 -2.981 7.851 1.00 0.00 C ATOM 531 CG ARG A 37 -5.845 -3.263 9.280 1.00 0.00 C ATOM 532 CD ARG A 37 -5.608 -4.748 9.508 1.00 0.00 C ATOM 533 NE ARG A 37 -5.703 -5.106 10.920 1.00 0.00 N ATOM 534 CZ ARG A 37 -5.261 -6.255 11.418 1.00 0.00 C ATOM 535 NH1 ARG A 37 -4.696 -7.153 10.621 1.00 0.00 N ATOM 536 NH2 ARG A 37 -5.381 -6.509 12.715 1.00 0.00 N ATOM 0 H ARG A 37 -4.090 -1.653 8.279 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.312 -1.435 6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.351 -3.169 7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.778 -3.680 7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.931 -2.710 9.499 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.608 -2.905 9.972 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.338 -5.323 8.938 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.622 -5.020 9.130 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.132 -4.437 11.559 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.600 -6.961 9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.357 -8.035 11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.813 -5.821 13.332 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.041 -7.392 13.095 1.00 0.00 H new ATOM 550 N TYR A 38 -8.083 -0.649 8.210 1.00 0.00 N ATOM 551 CA TYR A 38 -8.936 0.244 8.985 1.00 0.00 C ATOM 552 C TYR A 38 -9.437 -0.445 10.251 1.00 0.00 C ATOM 553 O TYR A 38 -9.665 -1.655 10.265 1.00 0.00 O ATOM 554 CB TYR A 38 -10.123 0.710 8.141 1.00 0.00 C ATOM 555 CG TYR A 38 -9.723 1.319 6.817 1.00 0.00 C ATOM 556 CD1 TYR A 38 -9.562 0.527 5.686 1.00 0.00 C ATOM 557 CD2 TYR A 38 -9.504 2.686 6.695 1.00 0.00 C ATOM 558 CE1 TYR A 38 -9.194 1.079 4.474 1.00 0.00 C ATOM 559 CE2 TYR A 38 -9.138 3.246 5.488 1.00 0.00 C ATOM 560 CZ TYR A 38 -8.985 2.438 4.380 1.00 0.00 C ATOM 561 OH TYR A 38 -8.619 2.993 3.174 1.00 0.00 O ATOM 0 H TYR A 38 -8.589 -1.331 7.646 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.343 1.111 9.275 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.782 -0.138 7.957 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.697 1.442 8.709 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.727 -0.538 5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.622 3.321 7.560 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.071 0.449 3.605 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.972 4.310 5.411 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.987 2.398 2.718 1.00 0.00 H new ATOM 571 N ASP A 39 -9.605 0.334 11.314 1.00 0.00 N ATOM 572 CA ASP A 39 -10.082 -0.198 12.586 1.00 0.00 C ATOM 573 C ASP A 39 -11.372 0.492 13.015 1.00 0.00 C ATOM 574 O ASP A 39 -11.758 0.437 14.181 1.00 0.00 O ATOM 575 CB ASP A 39 -9.012 -0.027 13.666 1.00 0.00 C ATOM 576 CG ASP A 39 -9.116 -1.078 14.754 1.00 0.00 C ATOM 577 OD1 ASP A 39 -10.243 -1.540 15.027 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.069 -1.439 15.332 1.00 0.00 O ATOM 0 H ASP A 39 -9.418 1.337 11.320 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.288 -1.260 12.454 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.025 -0.079 13.207 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.104 0.964 14.111 1.00 0.00 H new ATOM 583 N GLY A 40 -12.034 1.144 12.063 1.00 0.00 N ATOM 584 CA GLY A 40 -13.273 1.837 12.364 1.00 0.00 C ATOM 585 C GLY A 40 -13.237 3.295 11.949 1.00 0.00 C ATOM 586 O GLY A 40 -13.266 4.189 12.795 1.00 0.00 O ATOM 0 H GLY A 40 -11.734 1.204 11.090 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.098 1.338 11.855 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.472 1.772 13.434 1.00 0.00 H new ATOM 590 N ALA A 41 -13.172 3.536 10.644 1.00 0.00 N ATOM 591 CA ALA A 41 -13.132 4.895 10.120 1.00 0.00 C ATOM 592 C ALA A 41 -11.802 5.569 10.439 1.00 0.00 C ATOM 593 O ALA A 41 -11.721 6.794 10.536 1.00 0.00 O ATOM 594 CB ALA A 41 -14.287 5.712 10.681 1.00 0.00 C ATOM 0 H ALA A 41 -13.146 2.808 9.930 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.231 4.842 9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.244 6.725 10.281 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.232 5.249 10.397 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.213 5.748 11.768 1.00 0.00 H new ATOM 600 N THR A 42 -10.759 4.760 10.603 1.00 0.00 N ATOM 601 CA THR A 42 -9.432 5.277 10.913 1.00 0.00 C ATOM 602 C THR A 42 -8.346 4.301 10.477 1.00 0.00 C ATOM 603 O THR A 42 -8.218 3.210 11.034 1.00 0.00 O ATOM 604 CB THR A 42 -9.278 5.559 12.420 1.00 0.00 C ATOM 605 OG1 THR A 42 -10.471 6.165 12.929 1.00 0.00 O ATOM 606 CG2 THR A 42 -8.089 6.472 12.679 1.00 0.00 C ATOM 0 H THR A 42 -10.808 3.744 10.526 1.00 0.00 H new ATOM 0 HA THR A 42 -9.320 6.211 10.362 1.00 0.00 H new ATOM 0 HB THR A 42 -9.107 4.611 12.930 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.366 6.340 13.888 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.999 6.658 13.749 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.178 5.995 12.316 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.236 7.418 12.158 1.00 0.00 H new ATOM 614 N ILE A 43 -7.565 4.699 9.478 1.00 0.00 N ATOM 615 CA ILE A 43 -6.489 3.860 8.968 1.00 0.00 C ATOM 616 C ILE A 43 -5.431 3.611 10.039 1.00 0.00 C ATOM 617 O ILE A 43 -5.080 4.512 10.800 1.00 0.00 O ATOM 618 CB ILE A 43 -5.816 4.492 7.736 1.00 0.00 C ATOM 619 CG1 ILE A 43 -6.846 4.723 6.628 1.00 0.00 C ATOM 620 CG2 ILE A 43 -4.683 3.607 7.238 1.00 0.00 C ATOM 621 CD1 ILE A 43 -6.521 5.901 5.737 1.00 0.00 C ATOM 0 H ILE A 43 -7.658 5.598 9.006 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.940 2.911 8.678 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.397 5.456 8.024 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.917 3.824 6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.825 4.879 7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.217 4.068 6.367 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.940 3.489 8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.079 2.629 6.963 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.293 6.005 4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.479 6.810 6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.556 5.738 5.256 1.00 0.00 H new ATOM 633 N VAL A 44 -4.927 2.382 10.091 1.00 0.00 N ATOM 634 CA VAL A 44 -3.908 2.016 11.067 1.00 0.00 C ATOM 635 C VAL A 44 -3.080 0.832 10.578 1.00 0.00 C ATOM 636 O VAL A 44 -3.589 -0.095 9.947 1.00 0.00 O ATOM 637 CB VAL A 44 -4.535 1.663 12.429 1.00 0.00 C ATOM 638 CG1 VAL A 44 -5.433 2.791 12.911 1.00 0.00 C ATOM 639 CG2 VAL A 44 -5.308 0.356 12.336 1.00 0.00 C ATOM 0 H VAL A 44 -5.208 1.624 9.469 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.260 2.884 11.189 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.734 1.533 13.157 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.867 2.524 13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.846 3.703 13.018 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.231 2.956 12.187 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.744 0.122 13.307 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.102 0.455 11.596 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.632 -0.446 12.039 1.00 0.00 H new ATOM 649 N PRO A 45 -1.773 0.860 10.876 1.00 0.00 N ATOM 650 CA PRO A 45 -0.845 -0.204 10.478 1.00 0.00 C ATOM 651 C PRO A 45 -1.337 -1.585 10.895 1.00 0.00 C ATOM 652 O PRO A 45 -1.314 -1.935 12.073 1.00 0.00 O ATOM 653 CB PRO A 45 0.444 0.151 11.224 1.00 0.00 C ATOM 654 CG PRO A 45 0.361 1.622 11.442 1.00 0.00 C ATOM 655 CD PRO A 45 -1.098 1.934 11.626 1.00 0.00 C ATOM 0 HA PRO A 45 -0.726 -0.258 9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.515 -0.386 12.170 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.325 -0.114 10.640 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.937 1.919 12.319 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.772 2.166 10.591 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.381 1.928 12.679 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.351 2.919 11.233 1.00 0.00 H new ATOM 663 N GLY A 46 -1.783 -2.368 9.917 1.00 0.00 N ATOM 664 CA GLY A 46 -2.274 -3.705 10.201 1.00 0.00 C ATOM 665 C GLY A 46 -1.151 -4.694 10.446 1.00 0.00 C ATOM 666 O GLY A 46 -0.633 -4.792 11.559 1.00 0.00 O ATOM 0 H GLY A 46 -1.813 -2.101 8.933 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.923 -3.672 11.076 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.883 -4.051 9.365 1.00 0.00 H new ATOM 670 N ASP A 47 -0.777 -5.431 9.406 1.00 0.00 N ATOM 671 CA ASP A 47 0.290 -6.419 9.513 1.00 0.00 C ATOM 672 C ASP A 47 1.636 -5.808 9.136 1.00 0.00 C ATOM 673 O ASP A 47 1.699 -4.693 8.620 1.00 0.00 O ATOM 674 CB ASP A 47 -0.008 -7.622 8.618 1.00 0.00 C ATOM 675 CG ASP A 47 -1.097 -8.511 9.185 1.00 0.00 C ATOM 676 OD1 ASP A 47 -2.286 -8.173 9.015 1.00 0.00 O ATOM 677 OD2 ASP A 47 -0.760 -9.545 9.800 1.00 0.00 O ATOM 0 H ASP A 47 -1.197 -5.363 8.479 1.00 0.00 H new ATOM 0 HA ASP A 47 0.341 -6.752 10.550 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.307 -7.271 7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.902 -8.207 8.486 1.00 0.00 H new ATOM 682 N GLN A 48 2.709 -6.547 9.398 1.00 0.00 N ATOM 683 CA GLN A 48 4.054 -6.076 9.087 1.00 0.00 C ATOM 684 C GLN A 48 5.074 -7.197 9.254 1.00 0.00 C ATOM 685 O GLN A 48 4.926 -8.063 10.115 1.00 0.00 O ATOM 686 CB GLN A 48 4.425 -4.896 9.985 1.00 0.00 C ATOM 687 CG GLN A 48 5.746 -4.241 9.615 1.00 0.00 C ATOM 688 CD GLN A 48 6.219 -3.251 10.661 1.00 0.00 C ATOM 689 OE1 GLN A 48 7.056 -3.574 11.505 1.00 0.00 O ATOM 690 NE2 GLN A 48 5.687 -2.036 10.611 1.00 0.00 N ATOM 0 H GLN A 48 2.674 -7.473 9.824 1.00 0.00 H new ATOM 0 HA GLN A 48 4.066 -5.749 8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.632 -4.149 9.935 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.476 -5.239 11.018 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.505 -5.012 9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.638 -3.730 8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.997 -1.811 9.895 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.969 -1.328 11.289 1.00 0.00 H new ATOM 699 N GLY A 49 6.114 -7.175 8.424 1.00 0.00 N ATOM 700 CA GLY A 49 7.144 -8.194 8.495 1.00 0.00 C ATOM 701 C GLY A 49 8.136 -8.097 7.354 1.00 0.00 C ATOM 702 O GLY A 49 7.986 -7.263 6.462 1.00 0.00 O ATOM 0 H GLY A 49 6.261 -6.468 7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.675 -8.104 9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.677 -9.179 8.484 1.00 0.00 H new ATOM 706 N ALA A 50 9.153 -8.953 7.382 1.00 0.00 N ATOM 707 CA ALA A 50 10.173 -8.960 6.341 1.00 0.00 C ATOM 708 C ALA A 50 9.830 -9.961 5.242 1.00 0.00 C ATOM 709 O ALA A 50 10.235 -9.797 4.092 1.00 0.00 O ATOM 710 CB ALA A 50 11.535 -9.277 6.940 1.00 0.00 C ATOM 0 H ALA A 50 9.292 -9.650 8.114 1.00 0.00 H new ATOM 0 HA ALA A 50 10.207 -7.967 5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.288 -9.279 6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.790 -8.522 7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.504 -10.258 7.415 1.00 0.00 H new ATOM 716 N ASP A 51 9.082 -10.996 5.606 1.00 0.00 N ATOM 717 CA ASP A 51 8.683 -12.024 4.651 1.00 0.00 C ATOM 718 C ASP A 51 7.496 -11.557 3.814 1.00 0.00 C ATOM 719 O ASP A 51 6.369 -11.484 4.304 1.00 0.00 O ATOM 720 CB ASP A 51 8.330 -13.320 5.381 1.00 0.00 C ATOM 721 CG ASP A 51 9.536 -14.216 5.588 1.00 0.00 C ATOM 722 OD1 ASP A 51 10.265 -14.010 6.580 1.00 0.00 O ATOM 723 OD2 ASP A 51 9.751 -15.123 4.756 1.00 0.00 O ATOM 0 H ASP A 51 8.739 -11.146 6.555 1.00 0.00 H new ATOM 0 HA ASP A 51 9.524 -12.211 3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.889 -13.080 6.349 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.574 -13.860 4.811 1.00 0.00 H new ATOM 728 N TYR A 52 7.758 -11.242 2.550 1.00 0.00 N ATOM 729 CA TYR A 52 6.711 -10.780 1.646 1.00 0.00 C ATOM 730 C TYR A 52 5.552 -11.769 1.601 1.00 0.00 C ATOM 731 O TYR A 52 4.411 -11.394 1.337 1.00 0.00 O ATOM 732 CB TYR A 52 7.278 -10.576 0.239 1.00 0.00 C ATOM 733 CG TYR A 52 6.449 -9.646 -0.618 1.00 0.00 C ATOM 734 CD1 TYR A 52 5.250 -10.070 -1.179 1.00 0.00 C ATOM 735 CD2 TYR A 52 6.865 -8.343 -0.866 1.00 0.00 C ATOM 736 CE1 TYR A 52 4.491 -9.224 -1.963 1.00 0.00 C ATOM 737 CE2 TYR A 52 6.111 -7.491 -1.648 1.00 0.00 C ATOM 738 CZ TYR A 52 4.925 -7.935 -2.196 1.00 0.00 C ATOM 739 OH TYR A 52 4.171 -7.089 -2.975 1.00 0.00 O ATOM 0 H TYR A 52 8.685 -11.298 2.129 1.00 0.00 H new ATOM 0 HA TYR A 52 6.336 -9.828 2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.290 -10.179 0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.353 -11.544 -0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.906 -11.078 -0.999 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.793 -7.991 -0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.562 -9.570 -2.392 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.448 -6.481 -1.830 1.00 0.00 H new ATOM 0 HH TYR A 52 3.619 -7.616 -3.590 1.00 0.00 H new ATOM 749 N GLN A 53 5.855 -13.037 1.865 1.00 0.00 N ATOM 750 CA GLN A 53 4.838 -14.082 1.855 1.00 0.00 C ATOM 751 C GLN A 53 3.843 -13.884 2.993 1.00 0.00 C ATOM 752 O GLN A 53 2.706 -14.355 2.928 1.00 0.00 O ATOM 753 CB GLN A 53 5.492 -15.460 1.968 1.00 0.00 C ATOM 754 CG GLN A 53 6.245 -15.881 0.716 1.00 0.00 C ATOM 755 CD GLN A 53 6.839 -14.703 -0.031 1.00 0.00 C ATOM 756 OE1 GLN A 53 6.034 -14.071 -0.878 1.00 0.00 O flip ATOM 757 NE2 GLN A 53 8.009 -14.364 0.150 1.00 0.00 N flip ATOM 0 H GLN A 53 6.795 -13.364 2.088 1.00 0.00 H new ATOM 0 HA GLN A 53 4.298 -14.020 0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.181 -15.458 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.723 -16.201 2.186 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.042 -16.571 0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.569 -16.422 0.054 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.592 -14.878 0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.395 -13.570 -0.360 1.00 0.00 H new ATOM 766 N HIS A 54 4.276 -13.184 4.036 1.00 0.00 N ATOM 767 CA HIS A 54 3.422 -12.923 5.191 1.00 0.00 C ATOM 768 C HIS A 54 2.412 -11.823 4.881 1.00 0.00 C ATOM 769 O HIS A 54 1.318 -11.794 5.444 1.00 0.00 O ATOM 770 CB HIS A 54 4.270 -12.528 6.400 1.00 0.00 C ATOM 771 CG HIS A 54 4.719 -13.695 7.224 1.00 0.00 C ATOM 772 ND1 HIS A 54 5.243 -13.563 8.493 1.00 0.00 N ATOM 773 CD2 HIS A 54 4.717 -15.022 6.955 1.00 0.00 C ATOM 774 CE1 HIS A 54 5.546 -14.759 8.968 1.00 0.00 C ATOM 775 NE2 HIS A 54 5.236 -15.661 8.054 1.00 0.00 N ATOM 0 H HIS A 54 5.213 -12.787 4.106 1.00 0.00 H new ATOM 0 HA HIS A 54 2.877 -13.838 5.423 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.146 -11.979 6.055 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.696 -11.849 7.030 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.372 -15.491 6.045 1.00 0.00 H new ATOM 0 HE1 HIS A 54 5.974 -14.964 9.938 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.362 -16.669 8.149 1.00 0.00 H new ATOM 784 N PHE A 55 2.787 -10.918 3.984 1.00 0.00 N ATOM 785 CA PHE A 55 1.914 -9.814 3.601 1.00 0.00 C ATOM 786 C PHE A 55 0.809 -10.294 2.664 1.00 0.00 C ATOM 787 O PHE A 55 -0.359 -9.943 2.836 1.00 0.00 O ATOM 788 CB PHE A 55 2.725 -8.706 2.924 1.00 0.00 C ATOM 789 CG PHE A 55 2.003 -8.045 1.784 1.00 0.00 C ATOM 790 CD1 PHE A 55 0.915 -7.220 2.022 1.00 0.00 C ATOM 791 CD2 PHE A 55 2.413 -8.248 0.477 1.00 0.00 C ATOM 792 CE1 PHE A 55 0.248 -6.612 0.976 1.00 0.00 C ATOM 793 CE2 PHE A 55 1.750 -7.641 -0.574 1.00 0.00 C ATOM 794 CZ PHE A 55 0.667 -6.821 -0.324 1.00 0.00 C ATOM 0 H PHE A 55 3.689 -10.927 3.508 1.00 0.00 H new ATOM 0 HA PHE A 55 1.453 -9.418 4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.984 -7.951 3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.661 -9.125 2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.585 -7.051 3.036 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.260 -8.887 0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.600 -5.974 1.174 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.079 -7.808 -1.589 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.149 -6.344 -1.143 1.00 0.00 H new ATOM 804 N ILE A 56 1.186 -11.097 1.676 1.00 0.00 N ATOM 805 CA ILE A 56 0.228 -11.625 0.713 1.00 0.00 C ATOM 806 C ILE A 56 -0.773 -12.556 1.389 1.00 0.00 C ATOM 807 O ILE A 56 -1.848 -12.821 0.853 1.00 0.00 O ATOM 808 CB ILE A 56 0.934 -12.386 -0.425 1.00 0.00 C ATOM 809 CG1 ILE A 56 1.862 -11.447 -1.197 1.00 0.00 C ATOM 810 CG2 ILE A 56 -0.091 -13.013 -1.358 1.00 0.00 C ATOM 811 CD1 ILE A 56 2.768 -12.163 -2.174 1.00 0.00 C ATOM 0 H ILE A 56 2.149 -11.397 1.521 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.301 -10.770 0.292 1.00 0.00 H new ATOM 0 HB ILE A 56 1.536 -13.184 0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.259 -10.719 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.474 -10.890 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.423 -13.547 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.714 -13.710 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.717 -12.232 -1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.398 -11.436 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.396 -12.872 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.163 -12.698 -2.906 1.00 0.00 H new ATOM 823 N GLN A 57 -0.411 -13.049 2.569 1.00 0.00 N ATOM 824 CA GLN A 57 -1.278 -13.949 3.319 1.00 0.00 C ATOM 825 C GLN A 57 -2.343 -13.170 4.084 1.00 0.00 C ATOM 826 O GLN A 57 -3.162 -13.753 4.792 1.00 0.00 O ATOM 827 CB GLN A 57 -0.453 -14.796 4.289 1.00 0.00 C ATOM 828 CG GLN A 57 0.149 -16.038 3.653 1.00 0.00 C ATOM 829 CD GLN A 57 -0.826 -16.759 2.744 1.00 0.00 C ATOM 830 OE1 GLN A 57 -0.894 -16.330 1.489 1.00 0.00 O flip ATOM 831 NE2 GLN A 57 -1.511 -17.693 3.165 1.00 0.00 N flip ATOM 0 H GLN A 57 0.477 -12.840 3.026 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.777 -14.607 2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.349 -14.184 4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.086 -15.096 5.124 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.033 -15.756 3.081 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.480 -16.719 4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.426 -17.990 4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.162 -18.169 2.541 1.00 0.00 H new ATOM 840 N GLN A 58 -2.322 -11.849 3.936 1.00 0.00 N ATOM 841 CA GLN A 58 -3.286 -10.990 4.614 1.00 0.00 C ATOM 842 C GLN A 58 -4.302 -10.426 3.627 1.00 0.00 C ATOM 843 O GLN A 58 -5.453 -10.171 3.984 1.00 0.00 O ATOM 844 CB GLN A 58 -2.564 -9.847 5.330 1.00 0.00 C ATOM 845 CG GLN A 58 -1.208 -10.240 5.892 1.00 0.00 C ATOM 846 CD GLN A 58 -1.303 -10.847 7.277 1.00 0.00 C ATOM 847 OE1 GLN A 58 -2.262 -10.602 8.011 1.00 0.00 O ATOM 848 NE2 GLN A 58 -0.307 -11.646 7.643 1.00 0.00 N ATOM 0 H GLN A 58 -1.649 -11.351 3.353 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.819 -11.593 5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.433 -9.019 4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.193 -9.484 6.143 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.733 -10.954 5.219 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.566 -9.360 5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.468 -11.821 7.003 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.317 -12.084 8.564 1.00 0.00 H new ATOM 857 N CYS A 59 -3.871 -10.236 2.385 1.00 0.00 N ATOM 858 CA CYS A 59 -4.744 -9.701 1.346 1.00 0.00 C ATOM 859 C CYS A 59 -5.704 -10.772 0.839 1.00 0.00 C ATOM 860 O CYS A 59 -5.284 -11.776 0.262 1.00 0.00 O ATOM 861 CB CYS A 59 -3.912 -9.153 0.184 1.00 0.00 C ATOM 862 SG CYS A 59 -2.702 -7.901 0.670 1.00 0.00 S ATOM 0 H CYS A 59 -2.923 -10.444 2.073 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.329 -8.890 1.779 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.390 -9.980 -0.297 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.584 -8.724 -0.560 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.508 -8.415 0.636 1.00 0.00 H new ATOM 868 N THR A 60 -6.996 -10.552 1.059 1.00 0.00 N ATOM 869 CA THR A 60 -8.017 -11.499 0.627 1.00 0.00 C ATOM 870 C THR A 60 -9.179 -10.783 -0.052 1.00 0.00 C ATOM 871 O THR A 60 -9.242 -9.553 -0.064 1.00 0.00 O ATOM 872 CB THR A 60 -8.558 -12.321 1.812 1.00 0.00 C ATOM 873 OG1 THR A 60 -9.300 -11.475 2.697 1.00 0.00 O ATOM 874 CG2 THR A 60 -7.422 -12.986 2.574 1.00 0.00 C ATOM 0 H THR A 60 -7.361 -9.726 1.534 1.00 0.00 H new ATOM 0 HA THR A 60 -7.542 -12.172 -0.086 1.00 0.00 H new ATOM 0 HB THR A 60 -9.213 -13.097 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.642 -12.006 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.829 -13.561 3.406 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.876 -13.652 1.906 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.745 -12.223 2.957 1.00 0.00 H new ATOM 882 N ASP A 61 -10.097 -11.559 -0.617 1.00 0.00 N ATOM 883 CA ASP A 61 -11.259 -10.999 -1.298 1.00 0.00 C ATOM 884 C ASP A 61 -12.302 -10.525 -0.291 1.00 0.00 C ATOM 885 O ASP A 61 -13.398 -10.106 -0.667 1.00 0.00 O ATOM 886 CB ASP A 61 -11.875 -12.036 -2.238 1.00 0.00 C ATOM 887 CG ASP A 61 -12.326 -13.286 -1.507 1.00 0.00 C ATOM 888 OD1 ASP A 61 -13.133 -13.161 -0.562 1.00 0.00 O ATOM 889 OD2 ASP A 61 -11.870 -14.387 -1.879 1.00 0.00 O ATOM 0 H ASP A 61 -10.059 -12.578 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.928 -10.141 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.727 -11.593 -2.754 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.146 -12.308 -3.001 1.00 0.00 H new ATOM 894 N ASP A 62 -11.954 -10.594 0.990 1.00 0.00 N ATOM 895 CA ASP A 62 -12.860 -10.170 2.052 1.00 0.00 C ATOM 896 C ASP A 62 -12.247 -9.040 2.872 1.00 0.00 C ATOM 897 O ASP A 62 -12.690 -8.755 3.984 1.00 0.00 O ATOM 898 CB ASP A 62 -13.201 -11.351 2.962 1.00 0.00 C ATOM 899 CG ASP A 62 -14.543 -11.188 3.646 1.00 0.00 C ATOM 900 OD1 ASP A 62 -15.546 -10.960 2.937 1.00 0.00 O ATOM 901 OD2 ASP A 62 -14.592 -11.286 4.890 1.00 0.00 O ATOM 0 H ASP A 62 -11.052 -10.939 1.318 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.775 -9.802 1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -13.206 -12.269 2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.423 -11.460 3.717 1.00 0.00 H new ATOM 906 N VAL A 63 -11.222 -8.402 2.316 1.00 0.00 N ATOM 907 CA VAL A 63 -10.547 -7.303 2.996 1.00 0.00 C ATOM 908 C VAL A 63 -9.857 -6.380 1.997 1.00 0.00 C ATOM 909 O VAL A 63 -9.607 -6.761 0.854 1.00 0.00 O ATOM 910 CB VAL A 63 -9.504 -7.822 4.004 1.00 0.00 C ATOM 911 CG1 VAL A 63 -8.491 -8.719 3.309 1.00 0.00 C ATOM 912 CG2 VAL A 63 -8.811 -6.660 4.699 1.00 0.00 C ATOM 0 H VAL A 63 -10.841 -8.627 1.397 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.314 -6.745 3.533 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.018 -8.414 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.762 -9.076 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.005 -9.570 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.979 -8.154 2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.078 -7.045 5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.308 -6.040 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.550 -6.061 5.231 1.00 0.00 H new ATOM 922 N ARG A 64 -9.549 -5.165 2.438 1.00 0.00 N ATOM 923 CA ARG A 64 -8.888 -4.187 1.583 1.00 0.00 C ATOM 924 C ARG A 64 -8.064 -3.207 2.413 1.00 0.00 C ATOM 925 O ARG A 64 -8.578 -2.567 3.329 1.00 0.00 O ATOM 926 CB ARG A 64 -9.921 -3.422 0.752 1.00 0.00 C ATOM 927 CG ARG A 64 -11.002 -2.756 1.588 1.00 0.00 C ATOM 928 CD ARG A 64 -12.156 -3.706 1.865 1.00 0.00 C ATOM 929 NE ARG A 64 -13.132 -3.128 2.785 1.00 0.00 N ATOM 930 CZ ARG A 64 -13.846 -3.845 3.646 1.00 0.00 C ATOM 931 NH1 ARG A 64 -13.694 -5.161 3.704 1.00 0.00 N ATOM 932 NH2 ARG A 64 -14.715 -3.245 4.450 1.00 0.00 N ATOM 0 H ARG A 64 -9.747 -4.834 3.382 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.217 -4.724 0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.409 -2.661 0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.390 -4.109 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.576 -2.415 2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.373 -1.873 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.649 -3.961 0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.768 -4.635 2.284 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.273 -2.118 2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.028 -5.625 3.087 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.243 -5.709 4.366 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.835 -2.233 4.407 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -15.263 -3.796 5.111 1.00 0.00 H new ATOM 946 N LEU A 65 -6.781 -3.098 2.086 1.00 0.00 N ATOM 947 CA LEU A 65 -5.883 -2.197 2.803 1.00 0.00 C ATOM 948 C LEU A 65 -4.641 -1.893 1.972 1.00 0.00 C ATOM 949 O LEU A 65 -4.401 -2.521 0.941 1.00 0.00 O ATOM 950 CB LEU A 65 -5.477 -2.810 4.145 1.00 0.00 C ATOM 951 CG LEU A 65 -4.868 -4.209 4.059 1.00 0.00 C ATOM 952 CD1 LEU A 65 -5.798 -5.152 3.312 1.00 0.00 C ATOM 953 CD2 LEU A 65 -3.505 -4.157 3.385 1.00 0.00 C ATOM 0 H LEU A 65 -6.339 -3.621 1.330 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.414 -1.262 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.759 -2.147 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.356 -2.852 4.789 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.736 -4.589 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.347 -6.143 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.752 -5.214 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.963 -4.776 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.086 -5.162 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.612 -3.756 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.838 -3.516 3.962 1.00 0.00 H new ATOM 965 N PHE A 66 -3.854 -0.924 2.428 1.00 0.00 N ATOM 966 CA PHE A 66 -2.637 -0.534 1.727 1.00 0.00 C ATOM 967 C PHE A 66 -1.450 -1.376 2.189 1.00 0.00 C ATOM 968 O PHE A 66 -1.439 -1.894 3.305 1.00 0.00 O ATOM 969 CB PHE A 66 -2.343 0.950 1.957 1.00 0.00 C ATOM 970 CG PHE A 66 -3.550 1.830 1.806 1.00 0.00 C ATOM 971 CD1 PHE A 66 -4.490 1.919 2.820 1.00 0.00 C ATOM 972 CD2 PHE A 66 -3.744 2.569 0.650 1.00 0.00 C ATOM 973 CE1 PHE A 66 -5.602 2.728 2.683 1.00 0.00 C ATOM 974 CE2 PHE A 66 -4.855 3.379 0.508 1.00 0.00 C ATOM 975 CZ PHE A 66 -5.784 3.460 1.526 1.00 0.00 C ATOM 0 H PHE A 66 -4.038 -0.395 3.280 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.791 -0.706 0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.931 1.080 2.958 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.577 1.274 1.253 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.352 1.350 3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.019 2.511 -0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.328 2.788 3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.996 3.948 -0.399 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.651 4.094 1.418 1.00 0.00 H new ATOM 985 N ALA A 67 -0.453 -1.509 1.320 1.00 0.00 N ATOM 986 CA ALA A 67 0.738 -2.287 1.638 1.00 0.00 C ATOM 987 C ALA A 67 1.992 -1.624 1.076 1.00 0.00 C ATOM 988 O ALA A 67 2.201 -1.596 -0.136 1.00 0.00 O ATOM 989 CB ALA A 67 0.602 -3.703 1.101 1.00 0.00 C ATOM 0 H ALA A 67 -0.447 -1.088 0.391 1.00 0.00 H new ATOM 0 HA ALA A 67 0.836 -2.330 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.499 -4.273 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.267 -4.182 1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.477 -3.671 0.019 1.00 0.00 H new ATOM 995 N PHE A 68 2.822 -1.091 1.966 1.00 0.00 N ATOM 996 CA PHE A 68 4.056 -0.427 1.560 1.00 0.00 C ATOM 997 C PHE A 68 5.234 -1.395 1.602 1.00 0.00 C ATOM 998 O PHE A 68 5.677 -1.806 2.675 1.00 0.00 O ATOM 999 CB PHE A 68 4.335 0.775 2.464 1.00 0.00 C ATOM 1000 CG PHE A 68 5.611 1.494 2.129 1.00 0.00 C ATOM 1001 CD1 PHE A 68 6.832 1.005 2.564 1.00 0.00 C ATOM 1002 CD2 PHE A 68 5.589 2.659 1.380 1.00 0.00 C ATOM 1003 CE1 PHE A 68 8.007 1.664 2.258 1.00 0.00 C ATOM 1004 CE2 PHE A 68 6.761 3.322 1.069 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.972 2.824 1.510 1.00 0.00 C ATOM 0 H PHE A 68 2.663 -1.106 2.973 1.00 0.00 H new ATOM 0 HA PHE A 68 3.931 -0.079 0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.503 1.475 2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.378 0.438 3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.866 0.098 3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.645 3.054 1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.952 1.272 2.604 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.730 4.228 0.482 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.889 3.341 1.270 1.00 0.00 H new ATOM 1015 N VAL A 69 5.739 -1.756 0.426 1.00 0.00 N ATOM 1016 CA VAL A 69 6.866 -2.674 0.327 1.00 0.00 C ATOM 1017 C VAL A 69 8.103 -1.970 -0.221 1.00 0.00 C ATOM 1018 O VAL A 69 8.008 -1.146 -1.131 1.00 0.00 O ATOM 1019 CB VAL A 69 6.533 -3.879 -0.573 1.00 0.00 C ATOM 1020 CG1 VAL A 69 7.703 -4.849 -0.624 1.00 0.00 C ATOM 1021 CG2 VAL A 69 5.272 -4.575 -0.084 1.00 0.00 C ATOM 0 H VAL A 69 5.384 -1.426 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 69 7.072 -3.031 1.336 1.00 0.00 H new ATOM 0 HB VAL A 69 6.351 -3.516 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.448 -5.693 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.580 -4.341 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.921 -5.209 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.051 -5.424 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.423 -4.926 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.437 -3.874 -0.107 1.00 0.00 H new ATOM 1031 N ARG A 70 9.263 -2.302 0.338 1.00 0.00 N ATOM 1032 CA ARG A 70 10.518 -1.700 -0.095 1.00 0.00 C ATOM 1033 C ARG A 70 11.145 -2.508 -1.229 1.00 0.00 C ATOM 1034 O ARG A 70 11.380 -3.709 -1.094 1.00 0.00 O ATOM 1035 CB ARG A 70 11.495 -1.607 1.078 1.00 0.00 C ATOM 1036 CG ARG A 70 12.905 -1.218 0.667 1.00 0.00 C ATOM 1037 CD ARG A 70 13.821 -1.084 1.874 1.00 0.00 C ATOM 1038 NE ARG A 70 15.010 -0.292 1.574 1.00 0.00 N ATOM 1039 CZ ARG A 70 16.201 -0.822 1.322 1.00 0.00 C ATOM 1040 NH1 ARG A 70 16.361 -2.138 1.332 1.00 0.00 N ATOM 1041 NH2 ARG A 70 17.236 -0.035 1.056 1.00 0.00 N ATOM 0 H ARG A 70 9.359 -2.984 1.091 1.00 0.00 H new ATOM 0 HA ARG A 70 10.303 -0.696 -0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.120 -0.877 1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.527 -2.569 1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.307 -1.968 -0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.879 -0.274 0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.274 -0.620 2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.122 -2.075 2.212 1.00 0.00 H new ATOM 0 HE ARG A 70 14.921 0.724 1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.568 -2.747 1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.277 -2.542 1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.117 0.978 1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.151 -0.443 0.863 1.00 0.00 H new ATOM 1239 N PHE A 83 10.235 1.862 -3.365 1.00 0.00 N ATOM 1240 CA PHE A 83 9.065 1.385 -2.639 1.00 0.00 C ATOM 1241 C PHE A 83 7.817 1.447 -3.516 1.00 0.00 C ATOM 1242 O PHE A 83 7.902 1.703 -4.716 1.00 0.00 O ATOM 1243 CB PHE A 83 8.852 2.216 -1.372 1.00 0.00 C ATOM 1244 CG PHE A 83 10.108 2.430 -0.577 1.00 0.00 C ATOM 1245 CD1 PHE A 83 10.979 3.459 -0.898 1.00 0.00 C ATOM 1246 CD2 PHE A 83 10.420 1.603 0.490 1.00 0.00 C ATOM 1247 CE1 PHE A 83 12.136 3.660 -0.169 1.00 0.00 C ATOM 1248 CE2 PHE A 83 11.576 1.798 1.223 1.00 0.00 C ATOM 1249 CZ PHE A 83 12.435 2.827 0.892 1.00 0.00 C ATOM 0 HA PHE A 83 9.240 0.346 -2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.437 3.185 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.113 1.721 -0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.751 4.112 -1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.752 0.796 0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.805 4.467 -0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.807 1.147 2.053 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.340 2.981 1.462 1.00 0.00 H new ATOM 1259 N ALA A 84 6.660 1.210 -2.907 1.00 0.00 N ATOM 1260 CA ALA A 84 5.396 1.240 -3.631 1.00 0.00 C ATOM 1261 C ALA A 84 4.222 0.960 -2.697 1.00 0.00 C ATOM 1262 O ALA A 84 4.201 -0.053 -1.998 1.00 0.00 O ATOM 1263 CB ALA A 84 5.416 0.234 -4.772 1.00 0.00 C ATOM 0 H ALA A 84 6.572 0.995 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 84 5.267 2.240 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.465 0.268 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.225 0.480 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.572 -0.768 -4.371 1.00 0.00 H new ATOM 1269 N LEU A 85 3.249 1.864 -2.691 1.00 0.00 N ATOM 1270 CA LEU A 85 2.072 1.714 -1.843 1.00 0.00 C ATOM 1271 C LEU A 85 1.054 0.776 -2.483 1.00 0.00 C ATOM 1272 O LEU A 85 0.133 1.217 -3.171 1.00 0.00 O ATOM 1273 CB LEU A 85 1.429 3.078 -1.581 1.00 0.00 C ATOM 1274 CG LEU A 85 0.588 3.163 -0.308 1.00 0.00 C ATOM 1275 CD1 LEU A 85 1.401 2.730 0.902 1.00 0.00 C ATOM 1276 CD2 LEU A 85 0.054 4.575 -0.115 1.00 0.00 C ATOM 0 H LEU A 85 3.252 2.708 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 85 2.392 1.281 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.217 3.830 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.799 3.335 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.259 2.485 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.784 2.798 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.734 1.701 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.269 3.381 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.543 4.617 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.888 5.272 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.567 4.849 -0.968 1.00 0.00 H new ATOM 1288 N ILE A 86 1.229 -0.522 -2.255 1.00 0.00 N ATOM 1289 CA ILE A 86 0.327 -1.523 -2.810 1.00 0.00 C ATOM 1290 C ILE A 86 -1.043 -1.456 -2.143 1.00 0.00 C ATOM 1291 O ILE A 86 -1.214 -1.892 -1.004 1.00 0.00 O ATOM 1292 CB ILE A 86 0.896 -2.945 -2.647 1.00 0.00 C ATOM 1293 CG1 ILE A 86 2.235 -3.069 -3.376 1.00 0.00 C ATOM 1294 CG2 ILE A 86 -0.095 -3.975 -3.171 1.00 0.00 C ATOM 1295 CD1 ILE A 86 3.174 -4.074 -2.748 1.00 0.00 C ATOM 0 H ILE A 86 1.987 -0.904 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 86 0.223 -1.302 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 86 1.062 -3.134 -1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.050 -3.354 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.720 -2.093 -3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.321 -4.975 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.028 -3.899 -2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.289 -3.789 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.103 -4.109 -3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.389 -3.779 -1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.708 -5.059 -2.753 1.00 0.00 H new ATOM 1307 N THR A 87 -2.020 -0.911 -2.863 1.00 0.00 N ATOM 1308 CA THR A 87 -3.375 -0.788 -2.342 1.00 0.00 C ATOM 1309 C THR A 87 -4.212 -2.013 -2.696 1.00 0.00 C ATOM 1310 O THR A 87 -4.717 -2.130 -3.813 1.00 0.00 O ATOM 1311 CB THR A 87 -4.074 0.472 -2.887 1.00 0.00 C ATOM 1312 OG1 THR A 87 -3.374 1.645 -2.457 1.00 0.00 O ATOM 1313 CG2 THR A 87 -5.519 0.536 -2.415 1.00 0.00 C ATOM 0 H THR A 87 -1.897 -0.548 -3.808 1.00 0.00 H new ATOM 0 HA THR A 87 -3.292 -0.708 -1.258 1.00 0.00 H new ATOM 0 HB THR A 87 -4.066 0.423 -3.976 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.783 1.987 -1.634 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.992 1.434 -2.812 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.056 -0.344 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.545 0.564 -1.326 1.00 0.00 H new ATOM 1321 N TRP A 88 -4.357 -2.921 -1.738 1.00 0.00 N ATOM 1322 CA TRP A 88 -5.135 -4.136 -1.948 1.00 0.00 C ATOM 1323 C TRP A 88 -6.626 -3.866 -1.774 1.00 0.00 C ATOM 1324 O TRP A 88 -7.025 -3.052 -0.941 1.00 0.00 O ATOM 1325 CB TRP A 88 -4.686 -5.229 -0.976 1.00 0.00 C ATOM 1326 CG TRP A 88 -5.577 -6.433 -0.984 1.00 0.00 C ATOM 1327 CD1 TRP A 88 -6.350 -6.888 0.046 1.00 0.00 C ATOM 1328 CD2 TRP A 88 -5.785 -7.339 -2.074 1.00 0.00 C ATOM 1329 NE1 TRP A 88 -7.026 -8.021 -0.338 1.00 0.00 N ATOM 1330 CE2 TRP A 88 -6.697 -8.317 -1.634 1.00 0.00 C ATOM 1331 CE3 TRP A 88 -5.291 -7.417 -3.378 1.00 0.00 C ATOM 1332 CZ2 TRP A 88 -7.123 -9.360 -2.453 1.00 0.00 C ATOM 1333 CZ3 TRP A 88 -5.713 -8.452 -4.190 1.00 0.00 C ATOM 1334 CH2 TRP A 88 -6.623 -9.412 -3.725 1.00 0.00 C ATOM 0 H TRP A 88 -3.946 -2.839 -0.808 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.963 -4.475 -2.970 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.671 -5.535 -1.229 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.653 -4.817 0.033 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.420 -6.425 1.019 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -7.669 -8.555 0.247 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.591 -6.681 -3.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.823 -10.101 -2.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.336 -8.523 -5.199 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.935 -10.208 -4.384 1.00 0.00 H new ATOM 1345 N ILE A 89 -7.442 -4.551 -2.566 1.00 0.00 N ATOM 1346 CA ILE A 89 -8.889 -4.385 -2.498 1.00 0.00 C ATOM 1347 C ILE A 89 -9.610 -5.662 -2.918 1.00 0.00 C ATOM 1348 O ILE A 89 -9.726 -5.960 -4.106 1.00 0.00 O ATOM 1349 CB ILE A 89 -9.365 -3.224 -3.390 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -8.656 -1.927 -2.998 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -10.874 -3.061 -3.287 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -8.946 -0.773 -3.931 1.00 0.00 C ATOM 0 H ILE A 89 -7.127 -5.226 -3.262 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.132 -4.158 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.114 -3.455 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.955 -1.650 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.581 -2.103 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.195 -2.236 -3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.362 -3.980 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.147 -2.849 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.410 0.113 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.621 -1.030 -4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.017 -0.570 -3.936 1.00 0.00 H new ATOM 1364 N GLY A 90 -10.094 -6.413 -1.934 1.00 0.00 N ATOM 1365 CA GLY A 90 -10.799 -7.649 -2.220 1.00 0.00 C ATOM 1366 C GLY A 90 -11.641 -7.557 -3.477 1.00 0.00 C ATOM 1367 O GLY A 90 -12.364 -6.581 -3.677 1.00 0.00 O ATOM 0 H GLY A 90 -10.010 -6.187 -0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.078 -8.459 -2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.439 -7.903 -1.375 1.00 0.00 H new ATOM 1371 N GLU A 91 -11.547 -8.575 -4.327 1.00 0.00 N ATOM 1372 CA GLU A 91 -12.306 -8.603 -5.572 1.00 0.00 C ATOM 1373 C GLU A 91 -13.774 -8.923 -5.308 1.00 0.00 C ATOM 1374 O GLU A 91 -14.616 -8.803 -6.198 1.00 0.00 O ATOM 1375 CB GLU A 91 -11.712 -9.635 -6.533 1.00 0.00 C ATOM 1376 CG GLU A 91 -12.135 -9.434 -7.979 1.00 0.00 C ATOM 1377 CD GLU A 91 -11.426 -8.266 -8.637 1.00 0.00 C ATOM 1378 OE1 GLU A 91 -10.267 -8.443 -9.069 1.00 0.00 O ATOM 1379 OE2 GLU A 91 -12.029 -7.176 -8.721 1.00 0.00 O ATOM 0 H GLU A 91 -10.953 -9.391 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.245 -7.615 -6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.625 -9.592 -6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.010 -10.633 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.930 -10.344 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.212 -9.270 -8.019 1.00 0.00 H new ATOM 1386 N ASP A 92 -14.073 -9.330 -4.079 1.00 0.00 N ATOM 1387 CA ASP A 92 -15.439 -9.666 -3.696 1.00 0.00 C ATOM 1388 C ASP A 92 -16.108 -8.495 -2.985 1.00 0.00 C ATOM 1389 O ASP A 92 -17.335 -8.398 -2.944 1.00 0.00 O ATOM 1390 CB ASP A 92 -15.448 -10.901 -2.793 1.00 0.00 C ATOM 1391 CG ASP A 92 -16.772 -11.639 -2.836 1.00 0.00 C ATOM 1392 OD1 ASP A 92 -17.070 -12.262 -3.876 1.00 0.00 O ATOM 1393 OD2 ASP A 92 -17.511 -11.593 -1.829 1.00 0.00 O ATOM 0 H ASP A 92 -13.387 -9.435 -3.331 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.002 -9.885 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.649 -11.576 -3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -15.237 -10.599 -1.767 1.00 0.00 H new ATOM 1398 N VAL A 93 -15.294 -7.607 -2.423 1.00 0.00 N ATOM 1399 CA VAL A 93 -15.807 -6.442 -1.712 1.00 0.00 C ATOM 1400 C VAL A 93 -16.827 -5.687 -2.558 1.00 0.00 C ATOM 1401 O VAL A 93 -16.744 -5.678 -3.786 1.00 0.00 O ATOM 1402 CB VAL A 93 -14.671 -5.479 -1.318 1.00 0.00 C ATOM 1403 CG1 VAL A 93 -15.164 -4.454 -0.309 1.00 0.00 C ATOM 1404 CG2 VAL A 93 -13.483 -6.255 -0.767 1.00 0.00 C ATOM 0 H VAL A 93 -14.276 -7.672 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.290 -6.811 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.345 -4.945 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.347 -3.783 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.980 -3.878 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -15.519 -4.966 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.689 -5.560 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.793 -6.817 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -13.115 -6.945 -1.527 1.00 0.00 H new ATOM 1414 N SER A 94 -17.788 -5.056 -1.891 1.00 0.00 N ATOM 1415 CA SER A 94 -18.827 -4.300 -2.582 1.00 0.00 C ATOM 1416 C SER A 94 -18.234 -3.088 -3.295 1.00 0.00 C ATOM 1417 O SER A 94 -17.448 -2.339 -2.719 1.00 0.00 O ATOM 1418 CB SER A 94 -19.903 -3.849 -1.592 1.00 0.00 C ATOM 1419 OG SER A 94 -21.159 -3.713 -2.231 1.00 0.00 O ATOM 0 H SER A 94 -17.869 -5.053 -0.874 1.00 0.00 H new ATOM 0 HA SER A 94 -19.281 -4.952 -3.328 1.00 0.00 H new ATOM 0 HB2 SER A 94 -19.981 -4.572 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.614 -2.898 -1.145 1.00 0.00 H new ATOM 0 HG SER A 94 -21.830 -3.426 -1.577 1.00 0.00 H new ATOM 1425 N GLY A 95 -18.620 -2.904 -4.555 1.00 0.00 N ATOM 1426 CA GLY A 95 -18.117 -1.782 -5.327 1.00 0.00 C ATOM 1427 C GLY A 95 -17.876 -0.553 -4.473 1.00 0.00 C ATOM 1428 O GLY A 95 -16.893 0.162 -4.667 1.00 0.00 O ATOM 0 H GLY A 95 -19.271 -3.511 -5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.186 -2.069 -5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.829 -1.539 -6.116 1.00 0.00 H new ATOM 1432 N LEU A 96 -18.775 -0.305 -3.527 1.00 0.00 N ATOM 1433 CA LEU A 96 -18.655 0.848 -2.642 1.00 0.00 C ATOM 1434 C LEU A 96 -17.347 0.801 -1.861 1.00 0.00 C ATOM 1435 O LEU A 96 -16.477 1.653 -2.035 1.00 0.00 O ATOM 1436 CB LEU A 96 -19.840 0.899 -1.675 1.00 0.00 C ATOM 1437 CG LEU A 96 -20.063 2.250 -0.995 1.00 0.00 C ATOM 1438 CD1 LEU A 96 -21.536 2.450 -0.675 1.00 0.00 C ATOM 1439 CD2 LEU A 96 -19.222 2.357 0.268 1.00 0.00 C ATOM 0 H LEU A 96 -19.595 -0.887 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.657 1.749 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.745 0.630 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.694 0.142 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 96 -19.752 3.036 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.675 3.417 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -22.116 2.419 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.874 1.658 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -19.394 3.325 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.502 1.563 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.167 2.260 0.012 1.00 0.00 H new ATOM 1451 N GLN A 97 -17.215 -0.202 -0.999 1.00 0.00 N ATOM 1452 CA GLN A 97 -16.012 -0.361 -0.190 1.00 0.00 C ATOM 1453 C GLN A 97 -14.760 -0.289 -1.057 1.00 0.00 C ATOM 1454 O GLN A 97 -13.729 0.234 -0.631 1.00 0.00 O ATOM 1455 CB GLN A 97 -16.050 -1.692 0.563 1.00 0.00 C ATOM 1456 CG GLN A 97 -16.656 -1.588 1.953 1.00 0.00 C ATOM 1457 CD GLN A 97 -15.796 -0.781 2.907 1.00 0.00 C ATOM 1458 OE1 GLN A 97 -14.699 -0.348 2.555 1.00 0.00 O ATOM 1459 NE2 GLN A 97 -16.292 -0.574 4.121 1.00 0.00 N ATOM 0 H GLN A 97 -17.926 -0.917 -0.843 1.00 0.00 H new ATOM 0 HA GLN A 97 -15.979 0.455 0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -16.622 -2.414 -0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -15.035 -2.082 0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -17.642 -1.129 1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -16.800 -2.590 2.358 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -17.206 -0.952 4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.759 -0.037 4.805 1.00 0.00 H new ATOM 1468 N ARG A 98 -14.855 -0.818 -2.272 1.00 0.00 N ATOM 1469 CA ARG A 98 -13.729 -0.815 -3.197 1.00 0.00 C ATOM 1470 C ARG A 98 -13.513 0.577 -3.787 1.00 0.00 C ATOM 1471 O ARG A 98 -12.399 0.934 -4.167 1.00 0.00 O ATOM 1472 CB ARG A 98 -13.963 -1.826 -4.322 1.00 0.00 C ATOM 1473 CG ARG A 98 -12.884 -1.806 -5.392 1.00 0.00 C ATOM 1474 CD ARG A 98 -13.226 -0.832 -6.509 1.00 0.00 C ATOM 1475 NE ARG A 98 -14.160 -1.409 -7.473 1.00 0.00 N ATOM 1476 CZ ARG A 98 -14.877 -0.687 -8.325 1.00 0.00 C ATOM 1477 NH1 ARG A 98 -14.768 0.635 -8.334 1.00 0.00 N ATOM 1478 NH2 ARG A 98 -15.705 -1.285 -9.172 1.00 0.00 N ATOM 0 H ARG A 98 -15.701 -1.254 -2.639 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.835 -1.099 -2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -14.020 -2.827 -3.894 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.928 -1.623 -4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -11.930 -1.527 -4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.761 -2.807 -5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.659 0.072 -6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.312 -0.535 -7.023 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.267 -2.423 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.132 1.099 -7.685 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -15.320 1.188 -8.990 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.791 -2.301 -9.169 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -16.255 -0.728 -9.826 1.00 0.00 H new ATOM 1492 N ALA A 99 -14.587 1.357 -3.858 1.00 0.00 N ATOM 1493 CA ALA A 99 -14.514 2.708 -4.399 1.00 0.00 C ATOM 1494 C ALA A 99 -14.172 3.717 -3.308 1.00 0.00 C ATOM 1495 O ALA A 99 -13.881 4.880 -3.593 1.00 0.00 O ATOM 1496 CB ALA A 99 -15.828 3.078 -5.070 1.00 0.00 C ATOM 0 H ALA A 99 -15.517 1.076 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.718 2.734 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.760 4.090 -5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.031 2.380 -5.882 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.636 3.030 -4.340 1.00 0.00 H new ATOM 1502 N LYS A 100 -14.210 3.268 -2.059 1.00 0.00 N ATOM 1503 CA LYS A 100 -13.902 4.132 -0.925 1.00 0.00 C ATOM 1504 C LYS A 100 -12.426 4.041 -0.555 1.00 0.00 C ATOM 1505 O LYS A 100 -11.784 5.050 -0.263 1.00 0.00 O ATOM 1506 CB LYS A 100 -14.765 3.749 0.281 1.00 0.00 C ATOM 1507 CG LYS A 100 -16.255 3.931 0.045 1.00 0.00 C ATOM 1508 CD LYS A 100 -16.657 5.395 0.116 1.00 0.00 C ATOM 1509 CE LYS A 100 -16.663 6.039 -1.262 1.00 0.00 C ATOM 1510 NZ LYS A 100 -16.314 7.485 -1.200 1.00 0.00 N ATOM 0 H LYS A 100 -14.451 2.310 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 100 -14.123 5.160 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.571 2.708 0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.465 4.352 1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.522 3.527 -0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.814 3.363 0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.648 5.480 0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.967 5.932 0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -15.953 5.522 -1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.648 5.922 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.329 7.887 -2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -17.005 7.984 -0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.363 7.596 -0.793 1.00 0.00 H new ATOM 1524 N THR A 101 -11.890 2.823 -0.571 1.00 0.00 N ATOM 1525 CA THR A 101 -10.489 2.601 -0.238 1.00 0.00 C ATOM 1526 C THR A 101 -9.579 3.515 -1.051 1.00 0.00 C ATOM 1527 O THR A 101 -8.595 4.044 -0.536 1.00 0.00 O ATOM 1528 CB THR A 101 -10.078 1.137 -0.486 1.00 0.00 C ATOM 1529 OG1 THR A 101 -11.018 0.253 0.135 1.00 0.00 O ATOM 1530 CG2 THR A 101 -8.684 0.866 0.060 1.00 0.00 C ATOM 0 H THR A 101 -12.406 1.976 -0.811 1.00 0.00 H new ATOM 0 HA THR A 101 -10.377 2.829 0.822 1.00 0.00 H new ATOM 0 HB THR A 101 -10.070 0.962 -1.562 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.863 0.274 -0.361 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.416 -0.174 -0.127 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.966 1.520 -0.434 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.670 1.057 1.133 1.00 0.00 H new ATOM 1538 N GLY A 102 -9.915 3.699 -2.324 1.00 0.00 N ATOM 1539 CA GLY A 102 -9.117 4.551 -3.186 1.00 0.00 C ATOM 1540 C GLY A 102 -9.166 6.007 -2.767 1.00 0.00 C ATOM 1541 O GLY A 102 -8.203 6.749 -2.960 1.00 0.00 O ATOM 0 H GLY A 102 -10.726 3.273 -2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.083 4.207 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.472 4.459 -4.212 1.00 0.00 H new ATOM 1545 N THR A 103 -10.293 6.419 -2.195 1.00 0.00 N ATOM 1546 CA THR A 103 -10.465 7.797 -1.751 1.00 0.00 C ATOM 1547 C THR A 103 -9.690 8.061 -0.466 1.00 0.00 C ATOM 1548 O THR A 103 -9.134 9.144 -0.276 1.00 0.00 O ATOM 1549 CB THR A 103 -11.951 8.131 -1.518 1.00 0.00 C ATOM 1550 OG1 THR A 103 -12.700 7.896 -2.716 1.00 0.00 O ATOM 1551 CG2 THR A 103 -12.119 9.580 -1.085 1.00 0.00 C ATOM 0 H THR A 103 -11.100 5.818 -2.028 1.00 0.00 H new ATOM 0 HA THR A 103 -10.077 8.435 -2.545 1.00 0.00 H new ATOM 0 HB THR A 103 -12.325 7.485 -0.724 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.644 8.109 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.176 9.792 -0.927 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.572 9.748 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.729 10.239 -1.861 1.00 0.00 H new ATOM 1559 N ASP A 104 -9.654 7.066 0.413 1.00 0.00 N ATOM 1560 CA ASP A 104 -8.943 7.191 1.682 1.00 0.00 C ATOM 1561 C ASP A 104 -7.435 7.104 1.470 1.00 0.00 C ATOM 1562 O ASP A 104 -6.658 7.206 2.419 1.00 0.00 O ATOM 1563 CB ASP A 104 -9.399 6.102 2.654 1.00 0.00 C ATOM 1564 CG ASP A 104 -10.902 6.091 2.848 1.00 0.00 C ATOM 1565 OD1 ASP A 104 -11.612 6.705 2.025 1.00 0.00 O ATOM 1566 OD2 ASP A 104 -11.370 5.465 3.823 1.00 0.00 O ATOM 0 H ASP A 104 -10.108 6.164 0.271 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.175 8.167 2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.077 5.129 2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.912 6.252 3.618 1.00 0.00 H new ATOM 1571 N LYS A 105 -7.029 6.913 0.220 1.00 0.00 N ATOM 1572 CA LYS A 105 -5.614 6.811 -0.118 1.00 0.00 C ATOM 1573 C LYS A 105 -4.899 8.136 0.129 1.00 0.00 C ATOM 1574 O LYS A 105 -3.739 8.161 0.539 1.00 0.00 O ATOM 1575 CB LYS A 105 -5.446 6.394 -1.580 1.00 0.00 C ATOM 1576 CG LYS A 105 -4.048 6.633 -2.125 1.00 0.00 C ATOM 1577 CD LYS A 105 -3.919 8.016 -2.741 1.00 0.00 C ATOM 1578 CE LYS A 105 -4.674 8.112 -4.058 1.00 0.00 C ATOM 1579 NZ LYS A 105 -4.323 9.349 -4.809 1.00 0.00 N ATOM 0 H LYS A 105 -7.660 6.826 -0.577 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.167 6.051 0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.689 5.336 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.163 6.943 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.319 6.522 -1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.814 5.877 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.302 8.763 -2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.866 8.245 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.449 7.239 -4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.746 8.097 -3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.858 9.378 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.561 10.183 -4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.304 9.352 -5.017 1.00 0.00 H new ATOM 1593 N THR A 106 -5.600 9.238 -0.124 1.00 0.00 N ATOM 1594 CA THR A 106 -5.034 10.566 0.071 1.00 0.00 C ATOM 1595 C THR A 106 -4.489 10.729 1.485 1.00 0.00 C ATOM 1596 O THR A 106 -3.608 11.553 1.731 1.00 0.00 O ATOM 1597 CB THR A 106 -6.078 11.667 -0.194 1.00 0.00 C ATOM 1598 OG1 THR A 106 -6.622 11.518 -1.511 1.00 0.00 O ATOM 1599 CG2 THR A 106 -5.457 13.048 -0.050 1.00 0.00 C ATOM 0 H THR A 106 -6.561 9.236 -0.465 1.00 0.00 H new ATOM 0 HA THR A 106 -4.218 10.669 -0.645 1.00 0.00 H new ATOM 0 HB THR A 106 -6.875 11.566 0.542 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.286 12.220 -1.672 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.214 13.809 -0.242 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.069 13.169 0.961 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.643 13.157 -0.766 1.00 0.00 H new ATOM 1607 N LEU A 107 -5.018 9.938 2.413 1.00 0.00 N ATOM 1608 CA LEU A 107 -4.583 9.996 3.805 1.00 0.00 C ATOM 1609 C LEU A 107 -3.298 9.198 4.006 1.00 0.00 C ATOM 1610 O LEU A 107 -2.334 9.691 4.593 1.00 0.00 O ATOM 1611 CB LEU A 107 -5.681 9.457 4.725 1.00 0.00 C ATOM 1612 CG LEU A 107 -7.110 9.696 4.237 1.00 0.00 C ATOM 1613 CD1 LEU A 107 -8.112 9.338 5.322 1.00 0.00 C ATOM 1614 CD2 LEU A 107 -7.289 11.143 3.802 1.00 0.00 C ATOM 0 H LEU A 107 -5.748 9.250 2.227 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.386 11.038 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.532 8.385 4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.568 9.915 5.708 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.292 9.052 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.123 9.515 4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.001 8.287 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.932 9.955 6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.312 11.296 3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.088 11.804 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.596 11.368 2.991 1.00 0.00 H new ATOM 1626 N VAL A 108 -3.292 7.963 3.515 1.00 0.00 N ATOM 1627 CA VAL A 108 -2.126 7.097 3.641 1.00 0.00 C ATOM 1628 C VAL A 108 -0.908 7.713 2.960 1.00 0.00 C ATOM 1629 O VAL A 108 0.223 7.552 3.420 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.390 5.708 3.032 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -1.153 4.831 3.144 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.583 5.049 3.709 1.00 0.00 C ATOM 0 H VAL A 108 -4.081 7.540 3.027 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.928 6.987 4.707 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.623 5.832 1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.359 3.853 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.326 5.299 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.886 4.711 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.756 4.068 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.380 4.936 4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.468 5.670 3.572 1.00 0.00 H new ATOM 1642 N LYS A 109 -1.147 8.422 1.861 1.00 0.00 N ATOM 1643 CA LYS A 109 -0.070 9.065 1.117 1.00 0.00 C ATOM 1644 C LYS A 109 0.604 10.144 1.959 1.00 0.00 C ATOM 1645 O LYS A 109 1.818 10.326 1.891 1.00 0.00 O ATOM 1646 CB LYS A 109 -0.613 9.678 -0.176 1.00 0.00 C ATOM 1647 CG LYS A 109 0.456 10.332 -1.034 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.107 11.493 -1.835 1.00 0.00 C ATOM 1649 CE LYS A 109 -0.562 12.628 -0.929 1.00 0.00 C ATOM 1650 NZ LYS A 109 -0.488 13.949 -1.614 1.00 0.00 N ATOM 0 H LYS A 109 -2.077 8.566 1.466 1.00 0.00 H new ATOM 0 HA LYS A 109 0.672 8.306 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.108 8.900 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.371 10.420 0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.268 10.687 -0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.882 9.593 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.651 11.860 -2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.948 11.147 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.586 12.445 -0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.058 12.648 -0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.806 14.696 -0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.494 14.136 -1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.100 13.939 -2.455 1.00 0.00 H new ATOM 1664 N GLU A 110 -0.193 10.854 2.751 1.00 0.00 N ATOM 1665 CA GLU A 110 0.329 11.914 3.606 1.00 0.00 C ATOM 1666 C GLU A 110 1.604 11.465 4.314 1.00 0.00 C ATOM 1667 O GLU A 110 2.470 12.279 4.634 1.00 0.00 O ATOM 1668 CB GLU A 110 -0.721 12.331 4.638 1.00 0.00 C ATOM 1669 CG GLU A 110 -2.094 12.589 4.040 1.00 0.00 C ATOM 1670 CD GLU A 110 -2.066 13.645 2.951 1.00 0.00 C ATOM 1671 OE1 GLU A 110 -1.300 13.475 1.980 1.00 0.00 O ATOM 1672 OE2 GLU A 110 -2.811 14.639 3.072 1.00 0.00 O ATOM 0 H GLU A 110 -1.201 10.715 2.819 1.00 0.00 H new ATOM 0 HA GLU A 110 0.567 12.770 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.804 11.551 5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.380 13.233 5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.488 11.659 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.777 12.904 4.829 1.00 0.00 H new ATOM 1679 N VAL A 111 1.711 10.162 4.556 1.00 0.00 N ATOM 1680 CA VAL A 111 2.879 9.602 5.226 1.00 0.00 C ATOM 1681 C VAL A 111 3.867 9.025 4.217 1.00 0.00 C ATOM 1682 O VAL A 111 5.081 9.087 4.415 1.00 0.00 O ATOM 1683 CB VAL A 111 2.479 8.500 6.225 1.00 0.00 C ATOM 1684 CG1 VAL A 111 3.713 7.787 6.756 1.00 0.00 C ATOM 1685 CG2 VAL A 111 1.659 9.085 7.364 1.00 0.00 C ATOM 0 H VAL A 111 1.003 9.475 4.298 1.00 0.00 H new ATOM 0 HA VAL A 111 3.354 10.419 5.769 1.00 0.00 H new ATOM 0 HB VAL A 111 1.862 7.768 5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.411 7.012 7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.255 7.332 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.359 8.505 7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.385 8.292 8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.248 9.839 7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.755 9.544 6.963 1.00 0.00 H new ATOM 1695 N VAL A 112 3.339 8.464 3.135 1.00 0.00 N ATOM 1696 CA VAL A 112 4.174 7.877 2.093 1.00 0.00 C ATOM 1697 C VAL A 112 4.282 8.804 0.888 1.00 0.00 C ATOM 1698 O VAL A 112 3.381 8.857 0.050 1.00 0.00 O ATOM 1699 CB VAL A 112 3.620 6.515 1.631 1.00 0.00 C ATOM 1700 CG1 VAL A 112 4.555 5.877 0.616 1.00 0.00 C ATOM 1701 CG2 VAL A 112 3.406 5.596 2.824 1.00 0.00 C ATOM 0 H VAL A 112 2.337 8.403 2.956 1.00 0.00 H new ATOM 0 HA VAL A 112 5.164 7.731 2.525 1.00 0.00 H new ATOM 0 HB VAL A 112 2.656 6.677 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.149 4.916 0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 112 4.653 6.531 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.535 5.725 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 112 3.015 4.639 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.355 5.437 3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 112 2.695 6.053 3.512 1.00 0.00 H new ATOM 1711 N GLN A 113 5.390 9.534 0.808 1.00 0.00 N ATOM 1712 CA GLN A 113 5.616 10.460 -0.296 1.00 0.00 C ATOM 1713 C GLN A 113 6.960 10.193 -0.964 1.00 0.00 C ATOM 1714 O GLN A 113 7.141 10.469 -2.150 1.00 0.00 O ATOM 1715 CB GLN A 113 5.560 11.905 0.204 1.00 0.00 C ATOM 1716 CG GLN A 113 4.788 12.070 1.504 1.00 0.00 C ATOM 1717 CD GLN A 113 5.679 11.972 2.727 1.00 0.00 C ATOM 1718 OE1 GLN A 113 6.905 11.957 2.617 1.00 0.00 O ATOM 1719 NE2 GLN A 113 5.064 11.904 3.902 1.00 0.00 N ATOM 0 H GLN A 113 6.145 9.502 1.494 1.00 0.00 H new ATOM 0 HA GLN A 113 4.828 10.307 -1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.577 12.271 0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 113 5.101 12.529 -0.563 1.00 0.00 H new ATOM 0 HG2 GLN A 113 4.284 13.036 1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 113 4.013 11.306 1.562 1.00 0.00 H new ATOM 0 HE21 GLN A 113 4.045 11.920 3.946 1.00 0.00 H new ATOM 0 HE22 GLN A 113 5.611 11.836 4.761 1.00 0.00 H new ATOM 1728 N ASN A 114 7.900 9.654 -0.196 1.00 0.00 N ATOM 1729 CA ASN A 114 9.229 9.350 -0.714 1.00 0.00 C ATOM 1730 C ASN A 114 9.235 8.011 -1.446 1.00 0.00 C ATOM 1731 O ASN A 114 10.293 7.434 -1.700 1.00 0.00 O ATOM 1732 CB ASN A 114 10.251 9.326 0.424 1.00 0.00 C ATOM 1733 CG ASN A 114 10.458 7.933 0.986 1.00 0.00 C ATOM 1734 OD1 ASN A 114 9.362 7.222 1.226 1.00 0.00 O flip ATOM 1735 ND2 ASN A 114 11.591 7.500 1.203 1.00 0.00 N flip ATOM 0 H ASN A 114 7.767 9.418 0.787 1.00 0.00 H new ATOM 0 HA ASN A 114 9.502 10.132 -1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 114 11.203 9.714 0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.919 9.991 1.221 1.00 0.00 H new ATOM 0 HD21 ASN A 114 12.406 8.081 1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.714 6.561 1.582 1.00 0.00 H new ATOM 1742 N PHE A 115 8.046 7.521 -1.781 1.00 0.00 N ATOM 1743 CA PHE A 115 7.913 6.249 -2.482 1.00 0.00 C ATOM 1744 C PHE A 115 7.767 6.469 -3.985 1.00 0.00 C ATOM 1745 O PHE A 115 8.010 7.566 -4.488 1.00 0.00 O ATOM 1746 CB PHE A 115 6.706 5.472 -1.950 1.00 0.00 C ATOM 1747 CG PHE A 115 5.413 5.847 -2.614 1.00 0.00 C ATOM 1748 CD1 PHE A 115 5.206 7.135 -3.082 1.00 0.00 C ATOM 1749 CD2 PHE A 115 4.403 4.912 -2.769 1.00 0.00 C ATOM 1750 CE1 PHE A 115 4.017 7.484 -3.693 1.00 0.00 C ATOM 1751 CE2 PHE A 115 3.211 5.254 -3.380 1.00 0.00 C ATOM 1752 CZ PHE A 115 3.017 6.542 -3.842 1.00 0.00 C ATOM 0 H PHE A 115 7.161 7.985 -1.578 1.00 0.00 H new ATOM 0 HA PHE A 115 8.818 5.668 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 115 6.881 4.405 -2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 115 6.618 5.643 -0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 115 5.984 7.875 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.548 3.904 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 115 3.869 8.491 -4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.432 4.515 -3.496 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.086 6.812 -4.318 1.00 0.00 H new ATOM 1762 N ALA A 116 7.371 5.419 -4.695 1.00 0.00 N ATOM 1763 CA ALA A 116 7.193 5.497 -6.140 1.00 0.00 C ATOM 1764 C ALA A 116 5.758 5.871 -6.495 1.00 0.00 C ATOM 1765 O ALA A 116 5.493 6.973 -6.977 1.00 0.00 O ATOM 1766 CB ALA A 116 7.572 4.175 -6.791 1.00 0.00 C ATOM 0 H ALA A 116 7.167 4.504 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 116 7.851 6.278 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.434 4.248 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.616 3.948 -6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.938 3.381 -6.397 1.00 0.00 H new ATOM 1772 N LYS A 117 4.833 4.947 -6.256 1.00 0.00 N ATOM 1773 CA LYS A 117 3.424 5.178 -6.550 1.00 0.00 C ATOM 1774 C LYS A 117 2.552 4.097 -5.922 1.00 0.00 C ATOM 1775 O LYS A 117 3.038 3.022 -5.570 1.00 0.00 O ATOM 1776 CB LYS A 117 3.198 5.215 -8.064 1.00 0.00 C ATOM 1777 CG LYS A 117 1.797 4.800 -8.479 1.00 0.00 C ATOM 1778 CD LYS A 117 1.710 4.551 -9.976 1.00 0.00 C ATOM 1779 CE LYS A 117 0.349 3.998 -10.371 1.00 0.00 C ATOM 1780 NZ LYS A 117 -0.613 5.084 -10.705 1.00 0.00 N ATOM 0 H LYS A 117 5.035 4.030 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 117 3.142 6.140 -6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.392 6.224 -8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.921 4.558 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.510 3.896 -7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.087 5.578 -8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.895 5.482 -10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.489 3.850 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.461 3.335 -11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -0.050 3.397 -9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.529 4.668 -10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -0.739 5.702 -9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -0.244 5.642 -11.501 1.00 0.00 H new ATOM 1794 N GLU A 118 1.262 4.388 -5.785 1.00 0.00 N ATOM 1795 CA GLU A 118 0.324 3.439 -5.199 1.00 0.00 C ATOM 1796 C GLU A 118 -0.128 2.410 -6.233 1.00 0.00 C ATOM 1797 O GLU A 118 -0.536 2.764 -7.339 1.00 0.00 O ATOM 1798 CB GLU A 118 -0.893 4.174 -4.631 1.00 0.00 C ATOM 1799 CG GLU A 118 -1.583 5.077 -5.639 1.00 0.00 C ATOM 1800 CD GLU A 118 -3.084 5.140 -5.435 1.00 0.00 C ATOM 1801 OE1 GLU A 118 -3.585 4.462 -4.513 1.00 0.00 O ATOM 1802 OE2 GLU A 118 -3.758 5.865 -6.196 1.00 0.00 O ATOM 0 H GLU A 118 0.843 5.273 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 118 0.835 2.917 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.610 3.441 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.579 4.772 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -1.168 6.082 -5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.372 4.718 -6.646 1.00 0.00 H new ATOM 1809 N PHE A 119 -0.048 1.136 -5.865 1.00 0.00 N ATOM 1810 CA PHE A 119 -0.446 0.056 -6.760 1.00 0.00 C ATOM 1811 C PHE A 119 -1.762 -0.569 -6.307 1.00 0.00 C ATOM 1812 O PHE A 119 -1.790 -1.387 -5.386 1.00 0.00 O ATOM 1813 CB PHE A 119 0.646 -1.014 -6.820 1.00 0.00 C ATOM 1814 CG PHE A 119 1.890 -0.562 -7.530 1.00 0.00 C ATOM 1815 CD1 PHE A 119 1.988 0.726 -8.032 1.00 0.00 C ATOM 1816 CD2 PHE A 119 2.961 -1.425 -7.697 1.00 0.00 C ATOM 1817 CE1 PHE A 119 3.130 1.144 -8.687 1.00 0.00 C ATOM 1818 CE2 PHE A 119 4.106 -1.013 -8.351 1.00 0.00 C ATOM 1819 CZ PHE A 119 4.192 0.274 -8.846 1.00 0.00 C ATOM 0 H PHE A 119 0.289 0.826 -4.953 1.00 0.00 H new ATOM 0 HA PHE A 119 -0.588 0.477 -7.756 1.00 0.00 H new ATOM 0 HB2 PHE A 119 0.905 -1.314 -5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 119 0.251 -1.897 -7.322 1.00 0.00 H new ATOM 0 HD1 PHE A 119 1.162 1.411 -7.910 1.00 0.00 H new ATOM 0 HD2 PHE A 119 2.900 -2.432 -7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 119 3.193 2.150 -9.075 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.933 -1.696 -8.475 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.087 0.599 -9.356 1.00 0.00 H new ATOM 1829 N VAL A 120 -2.852 -0.179 -6.960 1.00 0.00 N ATOM 1830 CA VAL A 120 -4.172 -0.701 -6.625 1.00 0.00 C ATOM 1831 C VAL A 120 -4.383 -2.086 -7.224 1.00 0.00 C ATOM 1832 O VAL A 120 -4.692 -2.220 -8.409 1.00 0.00 O ATOM 1833 CB VAL A 120 -5.288 0.237 -7.121 1.00 0.00 C ATOM 1834 CG1 VAL A 120 -6.656 -0.351 -6.812 1.00 0.00 C ATOM 1835 CG2 VAL A 120 -5.140 1.617 -6.498 1.00 0.00 C ATOM 0 H VAL A 120 -2.847 0.497 -7.724 1.00 0.00 H new ATOM 0 HA VAL A 120 -4.220 -0.768 -5.538 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.198 0.340 -8.202 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -7.432 0.326 -7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -6.758 -1.316 -7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.760 -0.485 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -5.937 2.267 -6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.203 1.535 -5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -4.174 2.039 -6.775 1.00 0.00 H new ATOM 1845 N ILE A 121 -4.216 -3.114 -6.399 1.00 0.00 N ATOM 1846 CA ILE A 121 -4.389 -4.490 -6.848 1.00 0.00 C ATOM 1847 C ILE A 121 -5.610 -5.130 -6.195 1.00 0.00 C ATOM 1848 O ILE A 121 -5.872 -4.924 -5.010 1.00 0.00 O ATOM 1849 CB ILE A 121 -3.147 -5.345 -6.537 1.00 0.00 C ATOM 1850 CG1 ILE A 121 -1.877 -4.621 -6.990 1.00 0.00 C ATOM 1851 CG2 ILE A 121 -3.257 -6.704 -7.212 1.00 0.00 C ATOM 1852 CD1 ILE A 121 -0.620 -5.133 -6.324 1.00 0.00 C ATOM 0 H ILE A 121 -3.961 -3.020 -5.416 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.533 -4.454 -7.928 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.091 -5.500 -5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -1.775 -4.725 -8.070 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.981 -3.556 -6.781 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.372 -7.297 -6.983 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.144 -7.221 -6.847 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.334 -6.569 -8.291 1.00 0.00 H new ATOM 0 HD11 ILE A 121 0.240 -4.575 -6.693 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.701 -5.003 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -0.491 -6.191 -6.554 1.00 0.00 H new ATOM 1864 N SER A 122 -6.350 -5.911 -6.976 1.00 0.00 N ATOM 1865 CA SER A 122 -7.545 -6.581 -6.475 1.00 0.00 C ATOM 1866 C SER A 122 -7.381 -8.097 -6.533 1.00 0.00 C ATOM 1867 O SER A 122 -8.097 -8.835 -5.855 1.00 0.00 O ATOM 1868 CB SER A 122 -8.772 -6.157 -7.285 1.00 0.00 C ATOM 1869 OG SER A 122 -8.632 -4.831 -7.765 1.00 0.00 O ATOM 0 H SER A 122 -6.143 -6.095 -7.958 1.00 0.00 H new ATOM 0 HA SER A 122 -7.688 -6.287 -5.435 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.911 -6.838 -8.124 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.665 -6.230 -6.664 1.00 0.00 H new ATOM 0 HG SER A 122 -9.428 -4.584 -8.281 1.00 0.00 H new ATOM 1875 N ASP A 123 -6.435 -8.553 -7.346 1.00 0.00 N ATOM 1876 CA ASP A 123 -6.176 -9.980 -7.494 1.00 0.00 C ATOM 1877 C ASP A 123 -4.794 -10.340 -6.958 1.00 0.00 C ATOM 1878 O ASP A 123 -3.789 -9.761 -7.371 1.00 0.00 O ATOM 1879 CB ASP A 123 -6.291 -10.392 -8.962 1.00 0.00 C ATOM 1880 CG ASP A 123 -6.719 -11.837 -9.126 1.00 0.00 C ATOM 1881 OD1 ASP A 123 -6.405 -12.653 -8.235 1.00 0.00 O ATOM 1882 OD2 ASP A 123 -7.367 -12.152 -10.146 1.00 0.00 O ATOM 0 H ASP A 123 -5.834 -7.955 -7.913 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.923 -10.522 -6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.010 -9.744 -9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.330 -10.243 -9.455 1.00 0.00 H new ATOM 1887 N ARG A 124 -4.753 -11.296 -6.036 1.00 0.00 N ATOM 1888 CA ARG A 124 -3.494 -11.731 -5.442 1.00 0.00 C ATOM 1889 C ARG A 124 -2.470 -12.065 -6.523 1.00 0.00 C ATOM 1890 O ARG A 124 -1.281 -11.784 -6.375 1.00 0.00 O ATOM 1891 CB ARG A 124 -3.723 -12.949 -4.546 1.00 0.00 C ATOM 1892 CG ARG A 124 -4.557 -12.649 -3.311 1.00 0.00 C ATOM 1893 CD ARG A 124 -4.265 -13.632 -2.189 1.00 0.00 C ATOM 1894 NE ARG A 124 -4.923 -14.919 -2.403 1.00 0.00 N ATOM 1895 CZ ARG A 124 -4.753 -15.972 -1.613 1.00 0.00 C ATOM 1896 NH1 ARG A 124 -3.950 -15.893 -0.561 1.00 0.00 N ATOM 1897 NH2 ARG A 124 -5.387 -17.109 -1.874 1.00 0.00 N ATOM 0 H ARG A 124 -5.577 -11.784 -5.684 1.00 0.00 H new ATOM 0 HA ARG A 124 -3.104 -10.912 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.216 -13.729 -5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.757 -13.347 -4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.352 -11.634 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.616 -12.691 -3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.188 -13.784 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.596 -13.209 -1.241 1.00 0.00 H new ATOM 0 HE ARG A 124 -5.548 -15.013 -3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -3.461 -15.021 -0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -3.821 -16.704 0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -6.006 -17.174 -2.682 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.255 -17.917 -1.266 1.00 0.00 H new ATOM 1911 N LYS A 125 -2.940 -12.669 -7.609 1.00 0.00 N ATOM 1912 CA LYS A 125 -2.067 -13.042 -8.715 1.00 0.00 C ATOM 1913 C LYS A 125 -1.211 -11.859 -9.157 1.00 0.00 C ATOM 1914 O LYS A 125 -0.208 -12.031 -9.848 1.00 0.00 O ATOM 1915 CB LYS A 125 -2.896 -13.553 -9.896 1.00 0.00 C ATOM 1916 CG LYS A 125 -3.154 -15.049 -9.856 1.00 0.00 C ATOM 1917 CD LYS A 125 -1.897 -15.841 -10.179 1.00 0.00 C ATOM 1918 CE LYS A 125 -1.571 -15.787 -11.663 1.00 0.00 C ATOM 1919 NZ LYS A 125 -2.491 -16.641 -12.464 1.00 0.00 N ATOM 0 H LYS A 125 -3.921 -12.911 -7.747 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.406 -13.837 -8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.851 -13.028 -9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.381 -13.306 -10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -3.518 -15.330 -8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.938 -15.303 -10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.059 -15.444 -9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -2.030 -16.878 -9.872 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.636 -14.756 -12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.543 -16.113 -11.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.128 -16.727 -13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.552 -17.585 -12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.436 -16.208 -12.485 1.00 0.00 H new ATOM 1933 N GLU A 126 -1.613 -10.658 -8.749 1.00 0.00 N ATOM 1934 CA GLU A 126 -0.881 -9.449 -9.102 1.00 0.00 C ATOM 1935 C GLU A 126 -0.031 -8.966 -7.932 1.00 0.00 C ATOM 1936 O GLU A 126 0.919 -8.203 -8.112 1.00 0.00 O ATOM 1937 CB GLU A 126 -1.851 -8.346 -9.532 1.00 0.00 C ATOM 1938 CG GLU A 126 -2.379 -8.516 -10.946 1.00 0.00 C ATOM 1939 CD GLU A 126 -2.670 -7.190 -11.623 1.00 0.00 C ATOM 1940 OE1 GLU A 126 -1.963 -6.205 -11.328 1.00 0.00 O ATOM 1941 OE2 GLU A 126 -3.605 -7.140 -12.450 1.00 0.00 O ATOM 0 H GLU A 126 -2.441 -10.498 -8.175 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.219 -9.686 -9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.692 -8.324 -8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.349 -7.382 -9.454 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.650 -9.070 -11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -3.290 -9.114 -10.920 1.00 0.00 H new ATOM 1948 N LEU A 127 -0.380 -9.414 -6.731 1.00 0.00 N ATOM 1949 CA LEU A 127 0.350 -9.028 -5.528 1.00 0.00 C ATOM 1950 C LEU A 127 1.770 -9.585 -5.550 1.00 0.00 C ATOM 1951 O LEU A 127 2.630 -9.150 -4.786 1.00 0.00 O ATOM 1952 CB LEU A 127 -0.384 -9.522 -4.280 1.00 0.00 C ATOM 1953 CG LEU A 127 -1.497 -8.602 -3.778 1.00 0.00 C ATOM 1954 CD1 LEU A 127 -0.915 -7.445 -2.981 1.00 0.00 C ATOM 1955 CD2 LEU A 127 -2.326 -8.085 -4.943 1.00 0.00 C ATOM 0 H LEU A 127 -1.164 -10.045 -6.564 1.00 0.00 H new ATOM 0 HA LEU A 127 0.406 -7.940 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.811 -10.502 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.343 -9.658 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.149 -9.177 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.722 -6.801 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.365 -7.834 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.240 -6.870 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.114 -7.432 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.686 -7.526 -5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.774 -8.926 -5.472 1.00 0.00 H new ATOM 1967 N GLU A 128 2.007 -10.549 -6.434 1.00 0.00 N ATOM 1968 CA GLU A 128 3.322 -11.168 -6.555 1.00 0.00 C ATOM 1969 C GLU A 128 4.411 -10.106 -6.678 1.00 0.00 C ATOM 1970 O GLU A 128 4.557 -9.469 -7.720 1.00 0.00 O ATOM 1971 CB GLU A 128 3.363 -12.098 -7.769 1.00 0.00 C ATOM 1972 CG GLU A 128 2.161 -13.024 -7.867 1.00 0.00 C ATOM 1973 CD GLU A 128 2.492 -14.339 -8.545 1.00 0.00 C ATOM 1974 OE1 GLU A 128 3.294 -15.113 -7.982 1.00 0.00 O ATOM 1975 OE2 GLU A 128 1.948 -14.594 -9.640 1.00 0.00 O ATOM 0 H GLU A 128 1.306 -10.918 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 128 3.506 -11.752 -5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.422 -11.496 -8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.271 -12.699 -7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.777 -13.222 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.366 -12.524 -8.420 1.00 0.00 H new ATOM 1982 N GLU A 129 5.175 -9.924 -5.604 1.00 0.00 N ATOM 1983 CA GLU A 129 6.250 -8.938 -5.591 1.00 0.00 C ATOM 1984 C GLU A 129 6.976 -8.907 -6.933 1.00 0.00 C ATOM 1985 O GLU A 129 7.402 -7.849 -7.396 1.00 0.00 O ATOM 1986 CB GLU A 129 7.243 -9.250 -4.470 1.00 0.00 C ATOM 1987 CG GLU A 129 8.349 -10.206 -4.884 1.00 0.00 C ATOM 1988 CD GLU A 129 9.236 -10.611 -3.722 1.00 0.00 C ATOM 1989 OE1 GLU A 129 8.721 -10.701 -2.588 1.00 0.00 O ATOM 1990 OE2 GLU A 129 10.443 -10.837 -3.946 1.00 0.00 O ATOM 0 H GLU A 129 5.069 -10.445 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 129 5.808 -7.958 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.691 -8.319 -4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.702 -9.678 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.906 -11.098 -5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.959 -9.737 -5.656 1.00 0.00 H new ATOM 1997 N ASP A 130 7.113 -10.075 -7.552 1.00 0.00 N ATOM 1998 CA ASP A 130 7.786 -10.183 -8.841 1.00 0.00 C ATOM 1999 C ASP A 130 7.165 -9.232 -9.859 1.00 0.00 C ATOM 2000 O ASP A 130 7.874 -8.525 -10.577 1.00 0.00 O ATOM 2001 CB ASP A 130 7.716 -11.620 -9.358 1.00 0.00 C ATOM 2002 CG ASP A 130 8.846 -12.482 -8.828 1.00 0.00 C ATOM 2003 OD1 ASP A 130 9.402 -12.141 -7.764 1.00 0.00 O ATOM 2004 OD2 ASP A 130 9.175 -13.496 -9.479 1.00 0.00 O ATOM 0 H ASP A 130 6.767 -10.960 -7.182 1.00 0.00 H new ATOM 0 HA ASP A 130 8.831 -9.906 -8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.761 -12.060 -9.070 1.00 0.00 H new ATOM 0 HB3 ASP A 130 7.748 -11.613 -10.447 1.00 0.00 H new ATOM 2009 N PHE A 131 5.837 -9.220 -9.918 1.00 0.00 N ATOM 2010 CA PHE A 131 5.121 -8.357 -10.850 1.00 0.00 C ATOM 2011 C PHE A 131 5.305 -6.888 -10.483 1.00 0.00 C ATOM 2012 O PHE A 131 5.423 -6.030 -11.358 1.00 0.00 O ATOM 2013 CB PHE A 131 3.631 -8.709 -10.860 1.00 0.00 C ATOM 2014 CG PHE A 131 2.788 -7.722 -11.615 1.00 0.00 C ATOM 2015 CD1 PHE A 131 2.980 -7.520 -12.972 1.00 0.00 C ATOM 2016 CD2 PHE A 131 1.803 -6.994 -10.967 1.00 0.00 C ATOM 2017 CE1 PHE A 131 2.206 -6.611 -13.669 1.00 0.00 C ATOM 2018 CE2 PHE A 131 1.025 -6.084 -11.659 1.00 0.00 C ATOM 2019 CZ PHE A 131 1.227 -5.894 -13.011 1.00 0.00 C ATOM 0 H PHE A 131 5.235 -9.798 -9.331 1.00 0.00 H new ATOM 0 HA PHE A 131 5.533 -8.518 -11.846 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.502 -9.697 -11.301 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.273 -8.769 -9.832 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.744 -8.079 -13.492 1.00 0.00 H new ATOM 0 HD2 PHE A 131 1.641 -7.139 -9.909 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.367 -6.462 -14.726 1.00 0.00 H new ATOM 0 HE2 PHE A 131 0.260 -5.523 -11.142 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.620 -5.185 -13.554 1.00 0.00 H new ATOM 2029 N ILE A 132 5.330 -6.607 -9.185 1.00 0.00 N ATOM 2030 CA ILE A 132 5.501 -5.242 -8.702 1.00 0.00 C ATOM 2031 C ILE A 132 6.752 -4.603 -9.293 1.00 0.00 C ATOM 2032 O ILE A 132 6.713 -3.475 -9.785 1.00 0.00 O ATOM 2033 CB ILE A 132 5.591 -5.196 -7.165 1.00 0.00 C ATOM 2034 CG1 ILE A 132 4.447 -5.997 -6.541 1.00 0.00 C ATOM 2035 CG2 ILE A 132 5.565 -3.755 -6.677 1.00 0.00 C ATOM 2036 CD1 ILE A 132 3.078 -5.571 -7.024 1.00 0.00 C ATOM 0 H ILE A 132 5.234 -7.306 -8.449 1.00 0.00 H new ATOM 0 HA ILE A 132 4.623 -4.681 -9.023 1.00 0.00 H new ATOM 0 HB ILE A 132 6.534 -5.647 -6.857 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.590 -7.054 -6.765 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.490 -5.892 -5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.629 -3.738 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 132 6.411 -3.213 -7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.636 -3.281 -6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 132 2.315 -6.181 -6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 132 2.915 -4.522 -6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 132 3.016 -5.702 -8.104 1.00 0.00 H new ATOM 2048 N ARG A 133 7.862 -5.332 -9.243 1.00 0.00 N ATOM 2049 CA ARG A 133 9.126 -4.836 -9.775 1.00 0.00 C ATOM 2050 C ARG A 133 8.944 -4.282 -11.184 1.00 0.00 C ATOM 2051 O ARG A 133 9.236 -3.115 -11.446 1.00 0.00 O ATOM 2052 CB ARG A 133 10.172 -5.953 -9.785 1.00 0.00 C ATOM 2053 CG ARG A 133 11.023 -6.003 -8.526 1.00 0.00 C ATOM 2054 CD ARG A 133 10.250 -6.588 -7.356 1.00 0.00 C ATOM 2055 NE ARG A 133 11.127 -7.271 -6.407 1.00 0.00 N ATOM 2056 CZ ARG A 133 12.035 -6.646 -5.666 1.00 0.00 C ATOM 2057 NH1 ARG A 133 12.185 -5.333 -5.762 1.00 0.00 N ATOM 2058 NH2 ARG A 133 12.796 -7.337 -4.826 1.00 0.00 N ATOM 0 H ARG A 133 7.912 -6.268 -8.840 1.00 0.00 H new ATOM 0 HA ARG A 133 9.472 -4.029 -9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 133 9.667 -6.911 -9.910 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.824 -5.821 -10.649 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.914 -6.603 -8.711 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.362 -4.998 -8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.711 -5.791 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.503 -7.289 -7.729 1.00 0.00 H new ATOM 0 HE ARG A 133 11.037 -8.282 -6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.602 -4.799 -6.406 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.883 -4.856 -5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 133 12.683 -8.348 -4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.493 -6.857 -4.257 1.00 0.00 H new ATOM 2072 N SER A 134 8.459 -5.127 -12.089 1.00 0.00 N ATOM 2073 CA SER A 134 8.241 -4.723 -13.473 1.00 0.00 C ATOM 2074 C SER A 134 7.652 -3.317 -13.542 1.00 0.00 C ATOM 2075 O SER A 134 7.948 -2.553 -14.461 1.00 0.00 O ATOM 2076 CB SER A 134 7.310 -5.713 -14.175 1.00 0.00 C ATOM 2077 OG SER A 134 6.887 -5.214 -15.431 1.00 0.00 O ATOM 0 H SER A 134 8.210 -6.095 -11.888 1.00 0.00 H new ATOM 0 HA SER A 134 9.205 -4.720 -13.981 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.824 -6.665 -14.313 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.441 -5.908 -13.546 1.00 0.00 H new ATOM 0 HG SER A 134 6.294 -5.866 -15.859 1.00 0.00 H new ATOM 2083 N GLU A 135 6.816 -2.984 -12.564 1.00 0.00 N ATOM 2084 CA GLU A 135 6.185 -1.670 -12.514 1.00 0.00 C ATOM 2085 C GLU A 135 7.202 -0.590 -12.161 1.00 0.00 C ATOM 2086 O GLU A 135 7.452 0.325 -12.946 1.00 0.00 O ATOM 2087 CB GLU A 135 5.045 -1.666 -11.493 1.00 0.00 C ATOM 2088 CG GLU A 135 4.000 -2.740 -11.744 1.00 0.00 C ATOM 2089 CD GLU A 135 3.286 -2.562 -13.070 1.00 0.00 C ATOM 2090 OE1 GLU A 135 2.409 -1.677 -13.159 1.00 0.00 O ATOM 2091 OE2 GLU A 135 3.605 -3.308 -14.019 1.00 0.00 O ATOM 0 H GLU A 135 6.560 -3.605 -11.796 1.00 0.00 H new ATOM 0 HA GLU A 135 5.780 -1.453 -13.502 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.462 -1.802 -10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.561 -0.690 -11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.478 -3.719 -11.722 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.268 -2.725 -10.937 1.00 0.00 H new