USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 560 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 23 ASN : amide:sc= -0.486 X(o=-0.35,f=-0.045) USER MOD Set 1.2: A 24 ASN : amide:sc= 0.138 X(o=-0.35,f=-0.33) USER MOD Single : A 17 GLN : amide:sc= -0.631 K(o=-0.63,f=-4.8!) USER MOD Single : A 18 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0053) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0416 USER MOD Single : A 42 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.5!) USER MOD Single : A 44 THR OG1 : rot -74:sc= 0.359 USER MOD Single : A 48 THR OG1 : rot 74:sc= -1.21! USER MOD Single : A 49 SER OG : rot 88:sc= 1.25 USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00585) USER MOD Single : A 53 TYR OH : rot -122:sc= 0.64 USER MOD Single : A 59 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.2) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 69 MET CE :methyl 145:sc= -2.99 (180deg=-3.56!) USER MOD Single : B 81 GLN :FLIP amide:sc= -0.0571 F(o=-0.77!,f=-0.057) USER MOD Single : B 84 MET CE :methyl -175:sc= -0.499 (180deg=-0.731) USER MOD Single : B 85 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 86 HIS : no HD1:sc= -1.57! C(o=-1.6!,f=-4.6!) USER MOD Single : B 90 HIS :FLIP no HE2:sc= -0.56 F(o=-1.2,f=-0.56) USER MOD Single : B 93 GLN : amide:sc= 0.928 K(o=0.93,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.768 10.102 -4.028 1.00 0.00 N ATOM 169 CA VAL A 12 -0.713 9.727 -2.604 1.00 0.00 C ATOM 170 C VAL A 12 0.602 10.159 -1.948 1.00 0.00 C ATOM 171 O VAL A 12 0.640 11.059 -1.108 1.00 0.00 O ATOM 172 CB VAL A 12 -0.891 8.208 -2.402 1.00 0.00 C ATOM 173 CG1 VAL A 12 -1.017 7.860 -0.927 1.00 0.00 C ATOM 174 CG2 VAL A 12 -2.086 7.704 -3.183 1.00 0.00 C ATOM 0 HA VAL A 12 -1.540 10.252 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 12 0.001 7.710 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.141 6.783 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.117 8.177 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.883 8.370 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.195 6.631 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.986 8.214 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.938 7.904 -4.244 1.00 0.00 H new ATOM 184 N GLY A 13 1.661 9.500 -2.365 1.00 0.00 N ATOM 185 CA GLY A 13 2.985 9.698 -1.828 1.00 0.00 C ATOM 186 C GLY A 13 3.871 8.564 -2.284 1.00 0.00 C ATOM 187 O GLY A 13 4.735 8.090 -1.551 1.00 0.00 O ATOM 0 H GLY A 13 1.622 8.797 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.390 10.652 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.949 9.734 -0.739 1.00 0.00 H new ATOM 191 N TRP A 14 3.625 8.122 -3.510 1.00 0.00 N ATOM 192 CA TRP A 14 4.248 6.930 -4.050 1.00 0.00 C ATOM 193 C TRP A 14 5.213 7.269 -5.184 1.00 0.00 C ATOM 194 O TRP A 14 4.977 8.191 -5.968 1.00 0.00 O ATOM 195 CB TRP A 14 3.139 5.984 -4.529 1.00 0.00 C ATOM 196 CG TRP A 14 3.602 4.868 -5.408 1.00 0.00 C ATOM 197 CD1 TRP A 14 4.171 3.692 -5.018 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.515 4.822 -6.834 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.449 2.918 -6.117 1.00 0.00 N ATOM 200 CE2 TRP A 14 4.052 3.592 -7.245 1.00 0.00 C ATOM 201 CE3 TRP A 14 3.034 5.707 -7.805 1.00 0.00 C ATOM 202 CZ2 TRP A 14 4.122 3.223 -8.585 1.00 0.00 C ATOM 203 CZ3 TRP A 14 3.104 5.340 -9.135 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.642 4.107 -9.514 1.00 0.00 C ATOM 0 H TRP A 14 2.986 8.584 -4.156 1.00 0.00 H new ATOM 0 HA TRP A 14 4.840 6.444 -3.275 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.642 5.558 -3.657 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.392 6.566 -5.069 1.00 0.00 H new ATOM 0 HD1 TRP A 14 4.373 3.411 -3.995 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.880 1.994 -6.099 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.615 6.661 -7.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.540 2.273 -8.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.737 6.016 -9.893 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.680 3.846 -10.561 1.00 0.00 H new ATOM 215 N ASP A 15 6.310 6.528 -5.240 1.00 0.00 N ATOM 216 CA ASP A 15 7.292 6.659 -6.307 1.00 0.00 C ATOM 217 C ASP A 15 7.305 5.383 -7.151 1.00 0.00 C ATOM 218 O ASP A 15 7.351 4.281 -6.611 1.00 0.00 O ATOM 219 CB ASP A 15 8.683 6.935 -5.715 1.00 0.00 C ATOM 220 CG ASP A 15 9.782 6.925 -6.759 1.00 0.00 C ATOM 221 OD1 ASP A 15 10.349 5.846 -7.020 1.00 0.00 O ATOM 222 OD2 ASP A 15 10.093 7.994 -7.320 1.00 0.00 O ATOM 0 H ASP A 15 6.545 5.818 -4.546 1.00 0.00 H new ATOM 0 HA ASP A 15 7.022 7.499 -6.946 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.673 7.903 -5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.904 6.185 -4.955 1.00 0.00 H new ATOM 227 N PRO A 16 7.252 5.531 -8.487 1.00 0.00 N ATOM 228 CA PRO A 16 7.101 4.403 -9.428 1.00 0.00 C ATOM 229 C PRO A 16 8.225 3.364 -9.367 1.00 0.00 C ATOM 230 O PRO A 16 8.033 2.221 -9.783 1.00 0.00 O ATOM 231 CB PRO A 16 7.087 5.077 -10.805 1.00 0.00 C ATOM 232 CG PRO A 16 7.691 6.422 -10.591 1.00 0.00 C ATOM 233 CD PRO A 16 7.320 6.822 -9.194 1.00 0.00 C ATOM 0 HA PRO A 16 6.203 3.833 -9.188 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.659 4.500 -11.531 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.071 5.159 -11.192 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.774 6.388 -10.713 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.311 7.141 -11.317 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.064 7.485 -8.753 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.366 7.349 -9.165 1.00 0.00 H new ATOM 241 N GLN A 17 9.389 3.757 -8.868 1.00 0.00 N ATOM 242 CA GLN A 17 10.531 2.851 -8.804 1.00 0.00 C ATOM 243 C GLN A 17 10.746 2.341 -7.386 1.00 0.00 C ATOM 244 O GLN A 17 11.027 1.163 -7.173 1.00 0.00 O ATOM 245 CB GLN A 17 11.792 3.549 -9.312 1.00 0.00 C ATOM 246 CG GLN A 17 13.042 2.686 -9.246 1.00 0.00 C ATOM 247 CD GLN A 17 13.062 1.576 -10.281 1.00 0.00 C ATOM 248 OE1 GLN A 17 12.019 1.072 -10.704 1.00 0.00 O ATOM 249 NE2 GLN A 17 14.259 1.179 -10.688 1.00 0.00 N ATOM 0 H GLN A 17 9.569 4.692 -8.503 1.00 0.00 H new ATOM 0 HA GLN A 17 10.319 1.995 -9.444 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.632 3.861 -10.344 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.956 4.454 -8.727 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.919 3.318 -9.385 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.120 2.247 -8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.098 1.622 -10.313 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.341 0.430 -11.376 1.00 0.00 H new ATOM 258 N ASN A 18 10.616 3.233 -6.418 1.00 0.00 N ATOM 259 CA ASN A 18 10.833 2.875 -5.025 1.00 0.00 C ATOM 260 C ASN A 18 9.553 2.339 -4.402 1.00 0.00 C ATOM 261 O ASN A 18 9.338 1.131 -4.343 1.00 0.00 O ATOM 262 CB ASN A 18 11.340 4.080 -4.229 1.00 0.00 C ATOM 263 CG ASN A 18 12.712 4.551 -4.676 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.735 4.143 -4.124 1.00 0.00 O ATOM 265 ND2 ASN A 18 12.743 5.410 -5.683 1.00 0.00 N ATOM 0 H ASN A 18 10.362 4.209 -6.570 1.00 0.00 H new ATOM 0 HA ASN A 18 11.591 2.092 -4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.629 4.900 -4.330 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.378 3.820 -3.171 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.637 5.758 -6.029 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.873 5.723 -6.113 1.00 0.00 H new ATOM 272 N GLY A 19 8.690 3.241 -3.969 1.00 0.00 N ATOM 273 CA GLY A 19 7.461 2.834 -3.331 1.00 0.00 C ATOM 274 C GLY A 19 6.806 3.965 -2.578 1.00 0.00 C ATOM 275 O GLY A 19 6.901 5.122 -2.987 1.00 0.00 O ATOM 0 H GLY A 19 8.820 4.250 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.771 2.455 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.665 2.013 -2.644 1.00 0.00 H new ATOM 279 N PHE A 20 6.146 3.640 -1.478 1.00 0.00 N ATOM 280 CA PHE A 20 5.458 4.644 -0.681 1.00 0.00 C ATOM 281 C PHE A 20 6.435 5.408 0.194 1.00 0.00 C ATOM 282 O PHE A 20 7.409 4.847 0.697 1.00 0.00 O ATOM 283 CB PHE A 20 4.383 4.006 0.196 1.00 0.00 C ATOM 284 CG PHE A 20 3.166 3.572 -0.562 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.106 4.444 -0.747 1.00 0.00 C ATOM 286 CD2 PHE A 20 3.080 2.295 -1.083 1.00 0.00 C ATOM 287 CE1 PHE A 20 0.978 4.047 -1.441 1.00 0.00 C ATOM 288 CE2 PHE A 20 1.956 1.890 -1.776 1.00 0.00 C ATOM 289 CZ PHE A 20 0.904 2.769 -1.956 1.00 0.00 C ATOM 0 H PHE A 20 6.072 2.689 -1.116 1.00 0.00 H new ATOM 0 HA PHE A 20 4.984 5.339 -1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.809 3.143 0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.086 4.718 0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.161 5.445 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.901 1.606 -0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.157 4.735 -1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.899 0.889 -2.177 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.025 2.455 -2.499 1.00 0.00 H new ATOM 299 N ASP A 21 6.169 6.690 0.353 1.00 0.00 N ATOM 300 CA ASP A 21 6.953 7.533 1.236 1.00 0.00 C ATOM 301 C ASP A 21 6.610 7.195 2.683 1.00 0.00 C ATOM 302 O ASP A 21 5.672 7.747 3.258 1.00 0.00 O ATOM 303 CB ASP A 21 6.659 9.007 0.949 1.00 0.00 C ATOM 304 CG ASP A 21 7.644 9.947 1.611 1.00 0.00 C ATOM 305 OD1 ASP A 21 7.748 9.921 2.857 1.00 0.00 O ATOM 306 OD2 ASP A 21 8.341 10.686 0.895 1.00 0.00 O ATOM 0 H ASP A 21 5.408 7.175 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 21 8.015 7.355 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.676 9.172 -0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.652 9.244 1.292 1.00 0.00 H new ATOM 311 N VAL A 22 7.360 6.263 3.253 1.00 0.00 N ATOM 312 CA VAL A 22 7.080 5.762 4.594 1.00 0.00 C ATOM 313 C VAL A 22 7.276 6.832 5.664 1.00 0.00 C ATOM 314 O VAL A 22 6.737 6.720 6.763 1.00 0.00 O ATOM 315 CB VAL A 22 7.930 4.522 4.933 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.475 3.328 4.106 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.413 4.788 4.707 1.00 0.00 C ATOM 0 H VAL A 22 8.171 5.836 2.806 1.00 0.00 H new ATOM 0 HA VAL A 22 6.029 5.473 4.592 1.00 0.00 H new ATOM 0 HB VAL A 22 7.788 4.296 5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.084 2.459 4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.429 3.112 4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.586 3.556 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.985 3.894 4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.581 5.048 3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.736 5.613 5.342 1.00 0.00 H new ATOM 327 N ASN A 23 8.015 7.887 5.340 1.00 0.00 N ATOM 328 CA ASN A 23 8.232 8.969 6.293 1.00 0.00 C ATOM 329 C ASN A 23 7.175 10.060 6.126 1.00 0.00 C ATOM 330 O ASN A 23 7.252 11.118 6.756 1.00 0.00 O ATOM 331 CB ASN A 23 9.655 9.544 6.176 1.00 0.00 C ATOM 332 CG ASN A 23 10.019 9.999 4.773 1.00 0.00 C ATOM 333 OD1 ASN A 23 10.493 9.207 3.959 1.00 0.00 O ATOM 334 ND2 ASN A 23 9.834 11.280 4.488 1.00 0.00 N ATOM 0 H ASN A 23 8.469 8.016 4.436 1.00 0.00 H new ATOM 0 HA ASN A 23 8.132 8.556 7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.753 10.388 6.859 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.370 8.788 6.500 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.087 11.639 3.568 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.438 11.906 5.189 1.00 0.00 H new ATOM 341 N ASN A 24 6.187 9.789 5.276 1.00 0.00 N ATOM 342 CA ASN A 24 5.024 10.660 5.120 1.00 0.00 C ATOM 343 C ASN A 24 3.734 9.843 5.096 1.00 0.00 C ATOM 344 O ASN A 24 2.700 10.310 4.612 1.00 0.00 O ATOM 345 CB ASN A 24 5.118 11.481 3.830 1.00 0.00 C ATOM 346 CG ASN A 24 6.039 12.680 3.945 1.00 0.00 C ATOM 347 OD1 ASN A 24 5.617 13.765 4.344 1.00 0.00 O ATOM 348 ND2 ASN A 24 7.296 12.503 3.583 1.00 0.00 N ATOM 0 H ASN A 24 6.170 8.963 4.678 1.00 0.00 H new ATOM 0 HA ASN A 24 5.010 11.337 5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.470 10.838 3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.121 11.823 3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.954 13.281 3.629 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.609 11.588 3.257 1.00 0.00 H new ATOM 355 N LEU A 25 3.795 8.625 5.627 1.00 0.00 N ATOM 356 CA LEU A 25 2.648 7.720 5.609 1.00 0.00 C ATOM 357 C LEU A 25 1.497 8.238 6.460 1.00 0.00 C ATOM 358 O LEU A 25 1.693 8.769 7.555 1.00 0.00 O ATOM 359 CB LEU A 25 3.049 6.321 6.082 1.00 0.00 C ATOM 360 CG LEU A 25 3.591 5.398 4.995 1.00 0.00 C ATOM 361 CD1 LEU A 25 4.002 4.065 5.597 1.00 0.00 C ATOM 362 CD2 LEU A 25 2.552 5.188 3.904 1.00 0.00 C ATOM 0 H LEU A 25 4.627 8.241 6.076 1.00 0.00 H new ATOM 0 HA LEU A 25 2.306 7.667 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.805 6.421 6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.181 5.847 6.539 1.00 0.00 H new ATOM 0 HG LEU A 25 4.468 5.867 4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.387 3.414 4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.777 4.228 6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.137 3.595 6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.957 4.527 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.658 4.738 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.296 6.148 3.456 1.00 0.00 H new ATOM 374 N ASP A 26 0.295 8.075 5.928 1.00 0.00 N ATOM 375 CA ASP A 26 -0.925 8.471 6.614 1.00 0.00 C ATOM 376 C ASP A 26 -1.295 7.438 7.674 1.00 0.00 C ATOM 377 O ASP A 26 -1.107 6.243 7.447 1.00 0.00 O ATOM 378 CB ASP A 26 -2.065 8.615 5.601 1.00 0.00 C ATOM 379 CG ASP A 26 -3.377 9.024 6.242 1.00 0.00 C ATOM 380 OD1 ASP A 26 -4.101 8.137 6.737 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.680 10.239 6.248 1.00 0.00 O ATOM 0 H ASP A 26 0.138 7.664 5.008 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.759 9.430 7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.786 9.356 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.202 7.668 5.078 1.00 0.00 H new ATOM 386 N PRO A 27 -1.784 7.873 8.847 1.00 0.00 N ATOM 387 CA PRO A 27 -2.183 6.967 9.933 1.00 0.00 C ATOM 388 C PRO A 27 -2.984 5.755 9.449 1.00 0.00 C ATOM 389 O PRO A 27 -2.685 4.612 9.820 1.00 0.00 O ATOM 390 CB PRO A 27 -3.052 7.859 10.817 1.00 0.00 C ATOM 391 CG PRO A 27 -2.493 9.225 10.633 1.00 0.00 C ATOM 392 CD PRO A 27 -1.969 9.288 9.221 1.00 0.00 C ATOM 0 HA PRO A 27 -1.317 6.535 10.435 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.099 7.815 10.517 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.006 7.549 11.861 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.259 9.983 10.796 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.696 9.418 11.351 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.673 9.788 8.556 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.031 9.841 9.167 1.00 0.00 H new ATOM 400 N ASP A 28 -3.980 5.999 8.599 1.00 0.00 N ATOM 401 CA ASP A 28 -4.837 4.921 8.116 1.00 0.00 C ATOM 402 C ASP A 28 -4.073 4.005 7.180 1.00 0.00 C ATOM 403 O ASP A 28 -4.136 2.789 7.324 1.00 0.00 O ATOM 404 CB ASP A 28 -6.094 5.461 7.429 1.00 0.00 C ATOM 405 CG ASP A 28 -7.132 5.935 8.426 1.00 0.00 C ATOM 406 OD1 ASP A 28 -7.621 5.106 9.222 1.00 0.00 O ATOM 407 OD2 ASP A 28 -7.475 7.135 8.417 1.00 0.00 O ATOM 0 H ASP A 28 -4.211 6.923 8.235 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.156 4.345 8.985 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.821 6.286 6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.526 4.682 6.800 1.00 0.00 H new ATOM 412 N LEU A 29 -3.348 4.584 6.225 1.00 0.00 N ATOM 413 CA LEU A 29 -2.447 3.827 5.373 1.00 0.00 C ATOM 414 C LEU A 29 -1.528 2.941 6.203 1.00 0.00 C ATOM 415 O LEU A 29 -1.410 1.744 5.947 1.00 0.00 O ATOM 416 CB LEU A 29 -1.619 4.793 4.529 1.00 0.00 C ATOM 417 CG LEU A 29 -2.219 5.161 3.176 1.00 0.00 C ATOM 418 CD1 LEU A 29 -3.677 5.560 3.295 1.00 0.00 C ATOM 419 CD2 LEU A 29 -1.416 6.279 2.542 1.00 0.00 C ATOM 0 H LEU A 29 -3.371 5.584 6.025 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.039 3.184 4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.466 5.709 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.636 4.353 4.363 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.174 4.277 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.066 5.814 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.249 4.729 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.765 6.424 3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.850 6.536 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.433 7.154 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.386 5.952 2.401 1.00 0.00 H new ATOM 431 N ARG A 30 -0.901 3.534 7.211 1.00 0.00 N ATOM 432 CA ARG A 30 0.019 2.816 8.081 1.00 0.00 C ATOM 433 C ARG A 30 -0.689 1.635 8.743 1.00 0.00 C ATOM 434 O ARG A 30 -0.135 0.544 8.839 1.00 0.00 O ATOM 435 CB ARG A 30 0.589 3.774 9.130 1.00 0.00 C ATOM 436 CG ARG A 30 1.960 3.380 9.670 1.00 0.00 C ATOM 437 CD ARG A 30 1.925 2.129 10.535 1.00 0.00 C ATOM 438 NE ARG A 30 3.272 1.708 10.923 1.00 0.00 N ATOM 439 CZ ARG A 30 3.539 0.686 11.735 1.00 0.00 C ATOM 440 NH1 ARG A 30 2.551 -0.023 12.269 1.00 0.00 N ATOM 441 NH2 ARG A 30 4.798 0.371 12.012 1.00 0.00 N ATOM 0 H ARG A 30 -1.015 4.520 7.447 1.00 0.00 H new ATOM 0 HA ARG A 30 0.843 2.421 7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.657 4.771 8.694 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.111 3.838 9.963 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.640 3.217 8.834 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.365 4.207 10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.331 2.320 11.429 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.433 1.323 9.991 1.00 0.00 H new ATOM 0 HE ARG A 30 4.061 2.233 10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.582 0.214 12.058 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.762 -0.804 12.890 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.561 0.911 11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.003 -0.411 12.634 1.00 0.00 H new ATOM 455 N SER A 31 -1.924 1.857 9.174 1.00 0.00 N ATOM 456 CA SER A 31 -2.718 0.813 9.805 1.00 0.00 C ATOM 457 C SER A 31 -3.095 -0.260 8.779 1.00 0.00 C ATOM 458 O SER A 31 -2.905 -1.455 9.007 1.00 0.00 O ATOM 459 CB SER A 31 -3.988 1.425 10.409 1.00 0.00 C ATOM 460 OG SER A 31 -4.529 0.600 11.427 1.00 0.00 O ATOM 0 H SER A 31 -2.399 2.756 9.097 1.00 0.00 H new ATOM 0 HA SER A 31 -2.129 0.349 10.596 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.759 2.409 10.819 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.731 1.572 9.625 1.00 0.00 H new ATOM 0 HG SER A 31 -5.336 1.018 11.793 1.00 0.00 H new ATOM 466 N LEU A 32 -3.605 0.195 7.644 1.00 0.00 N ATOM 467 CA LEU A 32 -4.126 -0.670 6.594 1.00 0.00 C ATOM 468 C LEU A 32 -3.060 -1.612 6.069 1.00 0.00 C ATOM 469 O LEU A 32 -3.224 -2.833 6.083 1.00 0.00 O ATOM 470 CB LEU A 32 -4.653 0.213 5.460 1.00 0.00 C ATOM 471 CG LEU A 32 -5.559 -0.464 4.438 1.00 0.00 C ATOM 472 CD1 LEU A 32 -4.764 -1.087 3.309 1.00 0.00 C ATOM 473 CD2 LEU A 32 -6.422 -1.514 5.108 1.00 0.00 C ATOM 0 H LEU A 32 -3.670 1.189 7.423 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.928 -1.285 7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.199 1.046 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.799 0.636 4.932 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.200 0.306 4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.446 -1.559 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.190 -0.314 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.084 -1.837 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.063 -1.987 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.785 -2.268 5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.040 -1.043 5.872 1.00 0.00 H new ATOM 485 N PHE A 33 -1.974 -1.031 5.604 1.00 0.00 N ATOM 486 CA PHE A 33 -0.886 -1.794 5.014 1.00 0.00 C ATOM 487 C PHE A 33 -0.304 -2.771 6.028 1.00 0.00 C ATOM 488 O PHE A 33 -0.003 -3.918 5.698 1.00 0.00 O ATOM 489 CB PHE A 33 0.198 -0.851 4.484 1.00 0.00 C ATOM 490 CG PHE A 33 -0.320 0.156 3.495 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.387 -0.153 2.659 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.253 1.417 3.403 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.867 0.771 1.758 1.00 0.00 C ATOM 494 CE2 PHE A 33 -0.228 2.343 2.498 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.286 2.019 1.675 1.00 0.00 C ATOM 0 H PHE A 33 -1.818 -0.023 5.622 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.280 -2.370 4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.654 -0.325 5.323 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.984 -1.441 4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.845 -1.129 2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.082 1.676 4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.698 0.518 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.225 3.321 2.435 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.660 2.743 0.966 1.00 0.00 H new ATOM 505 N SER A 34 -0.182 -2.316 7.269 1.00 0.00 N ATOM 506 CA SER A 34 0.318 -3.153 8.349 1.00 0.00 C ATOM 507 C SER A 34 -0.629 -4.327 8.608 1.00 0.00 C ATOM 508 O SER A 34 -0.186 -5.451 8.855 1.00 0.00 O ATOM 509 CB SER A 34 0.497 -2.309 9.606 1.00 0.00 C ATOM 510 OG SER A 34 1.033 -3.069 10.677 1.00 0.00 O ATOM 0 H SER A 34 -0.424 -1.366 7.552 1.00 0.00 H new ATOM 0 HA SER A 34 1.285 -3.567 8.061 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.158 -1.469 9.389 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.464 -1.890 9.903 1.00 0.00 H new ATOM 0 HG SER A 34 1.136 -2.496 11.465 1.00 0.00 H new ATOM 516 N ARG A 35 -1.933 -4.057 8.539 1.00 0.00 N ATOM 517 CA ARG A 35 -2.950 -5.098 8.681 1.00 0.00 C ATOM 518 C ARG A 35 -2.843 -6.113 7.555 1.00 0.00 C ATOM 519 O ARG A 35 -2.999 -7.315 7.765 1.00 0.00 O ATOM 520 CB ARG A 35 -4.351 -4.492 8.679 1.00 0.00 C ATOM 521 CG ARG A 35 -4.742 -3.881 10.003 1.00 0.00 C ATOM 522 CD ARG A 35 -5.980 -3.010 9.865 1.00 0.00 C ATOM 523 NE ARG A 35 -6.349 -2.373 11.127 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.468 -1.673 11.312 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.353 -1.544 10.328 1.00 0.00 N ATOM 526 NH2 ARG A 35 -7.710 -1.109 12.489 1.00 0.00 N ATOM 0 H ARG A 35 -2.310 -3.122 8.385 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.778 -5.599 9.634 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.407 -3.728 7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.073 -5.265 8.417 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.930 -4.672 10.729 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.916 -3.284 10.389 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.801 -2.243 9.111 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.812 -3.618 9.510 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.710 -2.470 11.916 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.178 -1.982 9.424 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.207 -1.007 10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.040 -1.211 13.251 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.566 -0.573 12.631 1.00 0.00 H new ATOM 540 N ALA A 36 -2.573 -5.612 6.359 1.00 0.00 N ATOM 541 CA ALA A 36 -2.499 -6.448 5.170 1.00 0.00 C ATOM 542 C ALA A 36 -1.246 -7.318 5.178 1.00 0.00 C ATOM 543 O ALA A 36 -1.167 -8.312 4.458 1.00 0.00 O ATOM 544 CB ALA A 36 -2.541 -5.584 3.920 1.00 0.00 C ATOM 0 H ALA A 36 -2.400 -4.622 6.186 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.362 -7.113 5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.485 -6.220 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.472 -5.017 3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.696 -4.895 3.925 1.00 0.00 H new ATOM 550 N GLY A 37 -0.271 -6.941 5.995 1.00 0.00 N ATOM 551 CA GLY A 37 0.953 -7.713 6.099 1.00 0.00 C ATOM 552 C GLY A 37 2.128 -7.022 5.441 1.00 0.00 C ATOM 553 O GLY A 37 3.259 -7.502 5.511 1.00 0.00 O ATOM 0 H GLY A 37 -0.306 -6.113 6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.180 -7.889 7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.804 -8.689 5.638 1.00 0.00 H new ATOM 557 N ILE A 38 1.850 -5.898 4.797 1.00 0.00 N ATOM 558 CA ILE A 38 2.873 -5.109 4.136 1.00 0.00 C ATOM 559 C ILE A 38 3.752 -4.400 5.163 1.00 0.00 C ATOM 560 O ILE A 38 3.276 -3.549 5.913 1.00 0.00 O ATOM 561 CB ILE A 38 2.231 -4.045 3.225 1.00 0.00 C ATOM 562 CG1 ILE A 38 1.064 -4.645 2.437 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.274 -3.471 2.279 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.073 -3.611 1.953 1.00 0.00 C ATOM 0 H ILE A 38 0.910 -5.510 4.719 1.00 0.00 H new ATOM 0 HA ILE A 38 3.480 -5.789 3.539 1.00 0.00 H new ATOM 0 HB ILE A 38 1.842 -3.240 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.457 -5.191 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.545 -5.369 3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.811 -2.720 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.075 -3.011 2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.684 -4.270 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.728 -4.104 1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.347 -3.082 2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.579 -2.901 1.299 1.00 0.00 H new ATOM 576 N SER A 39 5.024 -4.761 5.206 1.00 0.00 N ATOM 577 CA SER A 39 5.965 -4.094 6.090 1.00 0.00 C ATOM 578 C SER A 39 6.625 -2.930 5.350 1.00 0.00 C ATOM 579 O SER A 39 6.345 -2.714 4.173 1.00 0.00 O ATOM 580 CB SER A 39 7.008 -5.084 6.602 1.00 0.00 C ATOM 581 OG SER A 39 7.699 -4.576 7.733 1.00 0.00 O ATOM 0 H SER A 39 5.427 -5.509 4.642 1.00 0.00 H new ATOM 0 HA SER A 39 5.431 -3.699 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.521 -6.023 6.864 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.721 -5.305 5.808 1.00 0.00 H new ATOM 0 HG SER A 39 8.358 -5.235 8.037 1.00 0.00 H new ATOM 587 N GLU A 40 7.499 -2.197 6.031 1.00 0.00 N ATOM 588 CA GLU A 40 8.077 -0.967 5.486 1.00 0.00 C ATOM 589 C GLU A 40 8.798 -1.217 4.160 1.00 0.00 C ATOM 590 O GLU A 40 8.589 -0.491 3.188 1.00 0.00 O ATOM 591 CB GLU A 40 9.041 -0.355 6.501 1.00 0.00 C ATOM 592 CG GLU A 40 9.564 1.016 6.107 1.00 0.00 C ATOM 593 CD GLU A 40 10.510 1.586 7.139 1.00 0.00 C ATOM 594 OE1 GLU A 40 10.033 2.122 8.159 1.00 0.00 O ATOM 595 OE2 GLU A 40 11.739 1.502 6.937 1.00 0.00 O ATOM 0 H GLU A 40 7.826 -2.433 6.968 1.00 0.00 H new ATOM 0 HA GLU A 40 7.261 -0.272 5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.537 -0.277 7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.886 -1.030 6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.076 0.945 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.724 1.698 5.971 1.00 0.00 H new ATOM 602 N ALA A 41 9.636 -2.247 4.118 1.00 0.00 N ATOM 603 CA ALA A 41 10.381 -2.565 2.905 1.00 0.00 C ATOM 604 C ALA A 41 9.446 -3.071 1.810 1.00 0.00 C ATOM 605 O ALA A 41 9.568 -2.684 0.654 1.00 0.00 O ATOM 606 CB ALA A 41 11.480 -3.577 3.189 1.00 0.00 C ATOM 0 H ALA A 41 9.816 -2.872 4.904 1.00 0.00 H new ATOM 0 HA ALA A 41 10.853 -1.648 2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.020 -3.796 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.171 -3.167 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.038 -4.494 3.578 1.00 0.00 H new ATOM 612 N GLN A 42 8.506 -3.931 2.173 1.00 0.00 N ATOM 613 CA GLN A 42 7.503 -4.412 1.223 1.00 0.00 C ATOM 614 C GLN A 42 6.745 -3.228 0.628 1.00 0.00 C ATOM 615 O GLN A 42 6.478 -3.175 -0.567 1.00 0.00 O ATOM 616 CB GLN A 42 6.510 -5.349 1.912 1.00 0.00 C ATOM 617 CG GLN A 42 5.762 -6.260 0.959 1.00 0.00 C ATOM 618 CD GLN A 42 4.700 -7.085 1.655 1.00 0.00 C ATOM 619 OE1 GLN A 42 4.839 -7.442 2.822 1.00 0.00 O ATOM 620 NE2 GLN A 42 3.629 -7.391 0.941 1.00 0.00 N ATOM 0 H GLN A 42 8.413 -4.312 3.115 1.00 0.00 H new ATOM 0 HA GLN A 42 8.016 -4.960 0.432 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.046 -5.960 2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.789 -4.752 2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.296 -5.659 0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.471 -6.927 0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.553 -7.074 -0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.879 -7.943 1.357 1.00 0.00 H new ATOM 629 N LEU A 43 6.439 -2.267 1.484 1.00 0.00 N ATOM 630 CA LEU A 43 5.693 -1.075 1.102 1.00 0.00 C ATOM 631 C LEU A 43 6.566 -0.109 0.300 1.00 0.00 C ATOM 632 O LEU A 43 6.112 0.946 -0.146 1.00 0.00 O ATOM 633 CB LEU A 43 5.173 -0.407 2.370 1.00 0.00 C ATOM 634 CG LEU A 43 4.221 0.761 2.177 1.00 0.00 C ATOM 635 CD1 LEU A 43 2.925 0.291 1.540 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.954 1.418 3.514 1.00 0.00 C ATOM 0 H LEU A 43 6.702 -2.290 2.469 1.00 0.00 H new ATOM 0 HA LEU A 43 4.858 -1.358 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.669 -1.163 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.029 -0.058 2.948 1.00 0.00 H new ATOM 0 HG LEU A 43 4.677 1.490 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.255 1.141 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.138 -0.156 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.451 -0.449 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.271 2.256 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.506 0.692 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.892 1.779 3.936 1.00 0.00 H new ATOM 648 N THR A 44 7.824 -0.477 0.133 1.00 0.00 N ATOM 649 CA THR A 44 8.741 0.275 -0.699 1.00 0.00 C ATOM 650 C THR A 44 9.356 -0.639 -1.753 1.00 0.00 C ATOM 651 O THR A 44 10.463 -0.407 -2.246 1.00 0.00 O ATOM 652 CB THR A 44 9.835 0.962 0.141 1.00 0.00 C ATOM 653 OG1 THR A 44 10.363 0.051 1.113 1.00 0.00 O ATOM 654 CG2 THR A 44 9.272 2.187 0.845 1.00 0.00 C ATOM 0 H THR A 44 8.235 -1.302 0.569 1.00 0.00 H new ATOM 0 HA THR A 44 8.179 1.063 -1.200 1.00 0.00 H new ATOM 0 HB THR A 44 10.636 1.273 -0.530 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.710 -0.075 1.832 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.057 2.661 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.898 2.893 0.103 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.457 1.886 1.503 1.00 0.00 H new ATOM 662 N ASP A 45 8.641 -1.717 -2.056 1.00 0.00 N ATOM 663 CA ASP A 45 9.014 -2.601 -3.149 1.00 0.00 C ATOM 664 C ASP A 45 8.437 -2.092 -4.462 1.00 0.00 C ATOM 665 O ASP A 45 7.313 -1.593 -4.478 1.00 0.00 O ATOM 666 CB ASP A 45 8.511 -4.019 -2.895 1.00 0.00 C ATOM 667 CG ASP A 45 8.780 -4.933 -4.069 1.00 0.00 C ATOM 668 OD1 ASP A 45 9.963 -5.225 -4.336 1.00 0.00 O ATOM 669 OD2 ASP A 45 7.807 -5.342 -4.737 1.00 0.00 O ATOM 0 H ASP A 45 7.797 -1.998 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 45 10.102 -2.616 -3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.994 -4.421 -2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.440 -3.993 -2.693 1.00 0.00 H new ATOM 674 N ALA A 46 9.188 -2.220 -5.550 1.00 0.00 N ATOM 675 CA ALA A 46 8.778 -1.648 -6.827 1.00 0.00 C ATOM 676 C ALA A 46 7.385 -2.124 -7.241 1.00 0.00 C ATOM 677 O ALA A 46 6.469 -1.311 -7.402 1.00 0.00 O ATOM 678 CB ALA A 46 9.800 -1.965 -7.910 1.00 0.00 C ATOM 0 H ALA A 46 10.081 -2.713 -5.574 1.00 0.00 H new ATOM 0 HA ALA A 46 8.729 -0.566 -6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.476 -1.529 -8.855 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.767 -1.547 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.890 -3.046 -8.020 1.00 0.00 H new ATOM 684 N GLU A 47 7.207 -3.439 -7.371 1.00 0.00 N ATOM 685 CA GLU A 47 5.936 -3.968 -7.844 1.00 0.00 C ATOM 686 C GLU A 47 4.888 -3.915 -6.739 1.00 0.00 C ATOM 687 O GLU A 47 3.738 -3.562 -6.999 1.00 0.00 O ATOM 688 CB GLU A 47 6.082 -5.391 -8.403 1.00 0.00 C ATOM 689 CG GLU A 47 6.065 -6.505 -7.365 1.00 0.00 C ATOM 690 CD GLU A 47 6.290 -7.864 -7.987 1.00 0.00 C ATOM 691 OE1 GLU A 47 7.459 -8.294 -8.093 1.00 0.00 O ATOM 692 OE2 GLU A 47 5.297 -8.523 -8.361 1.00 0.00 O ATOM 0 H GLU A 47 7.914 -4.143 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 47 5.600 -3.335 -8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.276 -5.568 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.017 -5.450 -8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.836 -6.316 -6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.108 -6.499 -6.843 1.00 0.00 H new ATOM 699 N THR A 48 5.282 -4.247 -5.508 1.00 0.00 N ATOM 700 CA THR A 48 4.366 -4.192 -4.376 1.00 0.00 C ATOM 701 C THR A 48 3.693 -2.826 -4.267 1.00 0.00 C ATOM 702 O THR A 48 2.469 -2.730 -4.288 1.00 0.00 O ATOM 703 CB THR A 48 5.079 -4.514 -3.048 1.00 0.00 C ATOM 704 OG1 THR A 48 5.756 -5.770 -3.161 1.00 0.00 O ATOM 705 CG2 THR A 48 4.074 -4.572 -1.901 1.00 0.00 C ATOM 0 H THR A 48 6.226 -4.555 -5.274 1.00 0.00 H new ATOM 0 HA THR A 48 3.605 -4.951 -4.559 1.00 0.00 H new ATOM 0 HB THR A 48 5.802 -3.726 -2.837 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.554 -5.662 -3.719 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.596 -4.800 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.572 -3.609 -1.808 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.336 -5.348 -2.103 1.00 0.00 H new ATOM 713 N SER A 49 4.496 -1.774 -4.187 1.00 0.00 N ATOM 714 CA SER A 49 3.974 -0.426 -3.998 1.00 0.00 C ATOM 715 C SER A 49 3.127 0.016 -5.187 1.00 0.00 C ATOM 716 O SER A 49 2.059 0.608 -5.016 1.00 0.00 O ATOM 717 CB SER A 49 5.128 0.545 -3.802 1.00 0.00 C ATOM 718 OG SER A 49 6.034 0.058 -2.834 1.00 0.00 O ATOM 0 H SER A 49 5.513 -1.827 -4.250 1.00 0.00 H new ATOM 0 HA SER A 49 3.337 -0.430 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.647 0.696 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.743 1.516 -3.491 1.00 0.00 H new ATOM 0 HG SER A 49 6.700 -0.515 -3.268 1.00 0.00 H new ATOM 724 N LYS A 50 3.606 -0.287 -6.389 1.00 0.00 N ATOM 725 CA LYS A 50 2.916 0.099 -7.613 1.00 0.00 C ATOM 726 C LYS A 50 1.532 -0.538 -7.659 1.00 0.00 C ATOM 727 O LYS A 50 0.560 0.069 -8.118 1.00 0.00 O ATOM 728 CB LYS A 50 3.744 -0.332 -8.829 1.00 0.00 C ATOM 729 CG LYS A 50 3.288 0.284 -10.143 1.00 0.00 C ATOM 730 CD LYS A 50 4.261 -0.038 -11.268 1.00 0.00 C ATOM 731 CE LYS A 50 3.932 0.729 -12.538 1.00 0.00 C ATOM 732 NZ LYS A 50 2.616 0.339 -13.108 1.00 0.00 N ATOM 0 H LYS A 50 4.474 -0.801 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 50 2.797 1.182 -7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.787 -0.065 -8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.703 -1.418 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.296 -0.090 -10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.202 1.365 -10.031 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.276 0.203 -10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.237 -1.108 -11.474 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.930 1.798 -12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.712 0.553 -13.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.451 0.864 -13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.612 -0.682 -13.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.863 0.562 -12.427 1.00 0.00 H new ATOM 746 N LEU A 51 1.449 -1.752 -7.145 1.00 0.00 N ATOM 747 CA LEU A 51 0.213 -2.508 -7.163 1.00 0.00 C ATOM 748 C LEU A 51 -0.670 -2.179 -5.962 1.00 0.00 C ATOM 749 O LEU A 51 -1.893 -2.275 -6.053 1.00 0.00 O ATOM 750 CB LEU A 51 0.526 -3.997 -7.245 1.00 0.00 C ATOM 751 CG LEU A 51 1.193 -4.409 -8.559 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.721 -5.825 -8.483 1.00 0.00 C ATOM 753 CD2 LEU A 51 0.211 -4.279 -9.705 1.00 0.00 C ATOM 0 H LEU A 51 2.232 -2.238 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.357 -2.223 -8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.178 -4.269 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.398 -4.562 -7.123 1.00 0.00 H new ATOM 0 HG LEU A 51 2.037 -3.742 -8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.189 -6.090 -9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.457 -5.896 -7.682 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.898 -6.510 -8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.696 -4.575 -10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.648 -4.924 -9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.122 -3.244 -9.783 1.00 0.00 H new ATOM 765 N ILE A 52 -0.069 -1.803 -4.832 1.00 0.00 N ATOM 766 CA ILE A 52 -0.845 -1.256 -3.728 1.00 0.00 C ATOM 767 C ILE A 52 -1.531 0.038 -4.149 1.00 0.00 C ATOM 768 O ILE A 52 -2.725 0.216 -3.916 1.00 0.00 O ATOM 769 CB ILE A 52 0.010 -0.981 -2.480 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.584 -2.283 -1.931 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.822 -0.272 -1.418 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.360 -2.098 -0.652 1.00 0.00 C ATOM 0 H ILE A 52 0.935 -1.867 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.586 -2.013 -3.470 1.00 0.00 H new ATOM 0 HB ILE A 52 0.840 -0.332 -2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.230 -2.986 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.235 -2.730 -2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.206 -0.083 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.188 0.675 -1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.668 -0.900 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.741 -3.062 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.195 -1.419 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.706 -1.679 0.113 1.00 0.00 H new ATOM 784 N TYR A 53 -0.780 0.940 -4.776 1.00 0.00 N ATOM 785 CA TYR A 53 -1.357 2.186 -5.255 1.00 0.00 C ATOM 786 C TYR A 53 -2.445 1.894 -6.279 1.00 0.00 C ATOM 787 O TYR A 53 -3.521 2.489 -6.241 1.00 0.00 O ATOM 788 CB TYR A 53 -0.295 3.101 -5.867 1.00 0.00 C ATOM 789 CG TYR A 53 -0.897 4.332 -6.504 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.521 5.302 -5.732 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.815 4.536 -7.875 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.050 6.440 -6.307 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.337 5.675 -8.455 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.051 6.567 -7.682 1.00 0.00 C ATOM 795 OH TYR A 53 -2.460 7.763 -8.245 1.00 0.00 O ATOM 0 H TYR A 53 0.217 0.831 -4.961 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.790 2.704 -4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.411 3.403 -5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.271 2.547 -6.616 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.594 5.164 -4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.336 3.793 -8.496 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.459 7.224 -5.687 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.187 5.866 -9.507 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.214 7.599 -8.850 1.00 0.00 H new ATOM 805 N ASP A 54 -2.154 0.962 -7.182 1.00 0.00 N ATOM 806 CA ASP A 54 -3.133 0.509 -8.166 1.00 0.00 C ATOM 807 C ASP A 54 -4.388 0.014 -7.466 1.00 0.00 C ATOM 808 O ASP A 54 -5.500 0.331 -7.869 1.00 0.00 O ATOM 809 CB ASP A 54 -2.531 -0.603 -9.032 1.00 0.00 C ATOM 810 CG ASP A 54 -3.555 -1.287 -9.916 1.00 0.00 C ATOM 811 OD1 ASP A 54 -3.921 -0.713 -10.962 1.00 0.00 O ATOM 812 OD2 ASP A 54 -3.979 -2.416 -9.576 1.00 0.00 O ATOM 0 H ASP A 54 -1.245 0.504 -7.253 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.402 1.347 -8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.743 -0.183 -9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.063 -1.346 -8.386 1.00 0.00 H new ATOM 817 N PHE A 55 -4.183 -0.749 -6.402 1.00 0.00 N ATOM 818 CA PHE A 55 -5.271 -1.230 -5.561 1.00 0.00 C ATOM 819 C PHE A 55 -6.104 -0.074 -5.019 1.00 0.00 C ATOM 820 O PHE A 55 -7.319 -0.042 -5.191 1.00 0.00 O ATOM 821 CB PHE A 55 -4.701 -2.041 -4.395 1.00 0.00 C ATOM 822 CG PHE A 55 -5.677 -2.287 -3.283 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.588 -3.334 -3.359 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.686 -1.472 -2.166 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.485 -3.557 -2.340 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.583 -1.693 -1.147 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.475 -2.748 -1.230 1.00 0.00 C ATOM 0 H PHE A 55 -3.258 -1.052 -6.097 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.918 -1.861 -6.171 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.348 -3.001 -4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.833 -1.518 -3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.592 -3.978 -4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.983 -0.655 -2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.196 -4.367 -2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.591 -1.044 -0.284 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.165 -2.936 -0.420 1.00 0.00 H new ATOM 837 N ILE A 56 -5.437 0.861 -4.358 1.00 0.00 N ATOM 838 CA ILE A 56 -6.105 1.983 -3.712 1.00 0.00 C ATOM 839 C ILE A 56 -6.897 2.801 -4.728 1.00 0.00 C ATOM 840 O ILE A 56 -8.052 3.164 -4.492 1.00 0.00 O ATOM 841 CB ILE A 56 -5.085 2.886 -2.990 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.275 2.058 -1.992 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.790 4.025 -2.274 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.199 2.848 -1.286 1.00 0.00 C ATOM 0 H ILE A 56 -4.422 0.864 -4.254 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.797 1.578 -2.974 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.411 3.313 -3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.951 1.636 -1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.815 1.220 -2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.053 4.650 -1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.341 4.625 -2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.483 3.618 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.665 2.197 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.500 3.248 -2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.654 3.670 -0.734 1.00 0.00 H new ATOM 856 N GLU A 57 -6.278 3.059 -5.869 1.00 0.00 N ATOM 857 CA GLU A 57 -6.925 3.789 -6.948 1.00 0.00 C ATOM 858 C GLU A 57 -8.110 2.983 -7.484 1.00 0.00 C ATOM 859 O GLU A 57 -9.177 3.530 -7.770 1.00 0.00 O ATOM 860 CB GLU A 57 -5.914 4.060 -8.064 1.00 0.00 C ATOM 861 CG GLU A 57 -6.332 5.166 -9.017 1.00 0.00 C ATOM 862 CD GLU A 57 -5.236 5.526 -9.999 1.00 0.00 C ATOM 863 OE1 GLU A 57 -5.020 4.759 -10.961 1.00 0.00 O ATOM 864 OE2 GLU A 57 -4.582 6.576 -9.811 1.00 0.00 O ATOM 0 H GLU A 57 -5.321 2.771 -6.073 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.295 4.742 -6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.955 4.322 -7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.760 3.143 -8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.220 4.853 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.608 6.051 -8.444 1.00 0.00 H new ATOM 871 N ASP A 58 -7.908 1.674 -7.589 1.00 0.00 N ATOM 872 CA ASP A 58 -8.938 0.740 -8.041 1.00 0.00 C ATOM 873 C ASP A 58 -10.139 0.744 -7.096 1.00 0.00 C ATOM 874 O ASP A 58 -11.288 0.676 -7.535 1.00 0.00 O ATOM 875 CB ASP A 58 -8.341 -0.667 -8.127 1.00 0.00 C ATOM 876 CG ASP A 58 -9.339 -1.726 -8.543 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.047 -2.263 -7.664 1.00 0.00 O ATOM 878 OD2 ASP A 58 -9.396 -2.052 -9.747 1.00 0.00 O ATOM 0 H ASP A 58 -7.020 1.226 -7.362 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.287 1.054 -9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.515 -0.659 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.923 -0.935 -7.157 1.00 0.00 H new ATOM 883 N GLN A 59 -9.863 0.842 -5.799 1.00 0.00 N ATOM 884 CA GLN A 59 -10.913 0.845 -4.782 1.00 0.00 C ATOM 885 C GLN A 59 -11.778 2.098 -4.875 1.00 0.00 C ATOM 886 O GLN A 59 -12.873 2.146 -4.316 1.00 0.00 O ATOM 887 CB GLN A 59 -10.317 0.767 -3.374 1.00 0.00 C ATOM 888 CG GLN A 59 -9.507 -0.489 -3.093 1.00 0.00 C ATOM 889 CD GLN A 59 -10.283 -1.768 -3.341 1.00 0.00 C ATOM 890 OE1 GLN A 59 -10.994 -2.257 -2.467 1.00 0.00 O ATOM 891 NE2 GLN A 59 -10.121 -2.337 -4.520 1.00 0.00 N ATOM 0 H GLN A 59 -8.917 0.921 -5.425 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.531 -0.033 -4.968 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.679 1.637 -3.216 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.127 0.830 -2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.615 -0.486 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.169 -0.472 -2.057 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.522 -1.899 -5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.595 -3.215 -4.732 1.00 0.00 H new ATOM 900 N GLY A 60 -11.286 3.110 -5.571 1.00 0.00 N ATOM 901 CA GLY A 60 -12.010 4.361 -5.669 1.00 0.00 C ATOM 902 C GLY A 60 -11.224 5.509 -5.078 1.00 0.00 C ATOM 903 O GLY A 60 -11.689 6.650 -5.054 1.00 0.00 O ATOM 0 H GLY A 60 -10.397 3.088 -6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.232 4.572 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.966 4.270 -5.153 1.00 0.00 H new ATOM 907 N GLY A 61 -10.034 5.206 -4.582 1.00 0.00 N ATOM 908 CA GLY A 61 -9.176 6.234 -4.049 1.00 0.00 C ATOM 909 C GLY A 61 -8.773 5.971 -2.616 1.00 0.00 C ATOM 910 O GLY A 61 -9.065 4.912 -2.061 1.00 0.00 O ATOM 0 H GLY A 61 -9.649 4.262 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.281 6.310 -4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.687 7.195 -4.108 1.00 0.00 H new ATOM 914 N LEU A 62 -8.124 6.957 -2.013 1.00 0.00 N ATOM 915 CA LEU A 62 -7.571 6.818 -0.671 1.00 0.00 C ATOM 916 C LEU A 62 -8.686 6.779 0.355 1.00 0.00 C ATOM 917 O LEU A 62 -8.706 5.923 1.240 1.00 0.00 O ATOM 918 CB LEU A 62 -6.621 7.981 -0.353 1.00 0.00 C ATOM 919 CG LEU A 62 -5.252 7.938 -1.039 1.00 0.00 C ATOM 920 CD1 LEU A 62 -5.390 7.959 -2.553 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.397 9.102 -0.566 1.00 0.00 C ATOM 0 H LEU A 62 -7.966 7.871 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.011 5.884 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.114 8.913 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.464 8.011 0.725 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.764 7.003 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.400 7.928 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.967 7.093 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.902 8.871 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.425 9.064 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.892 10.041 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.259 9.037 0.513 1.00 0.00 H new ATOM 933 N GLU A 63 -9.622 7.707 0.205 1.00 0.00 N ATOM 934 CA GLU A 63 -10.744 7.849 1.124 1.00 0.00 C ATOM 935 C GLU A 63 -11.551 6.557 1.180 1.00 0.00 C ATOM 936 O GLU A 63 -12.098 6.195 2.220 1.00 0.00 O ATOM 937 CB GLU A 63 -11.659 9.003 0.685 1.00 0.00 C ATOM 938 CG GLU A 63 -10.927 10.228 0.159 1.00 0.00 C ATOM 939 CD GLU A 63 -10.626 10.142 -1.329 1.00 0.00 C ATOM 940 OE1 GLU A 63 -9.585 9.567 -1.704 1.00 0.00 O ATOM 941 OE2 GLU A 63 -11.436 10.651 -2.131 1.00 0.00 O ATOM 0 H GLU A 63 -9.625 8.384 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.344 8.068 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.334 8.639 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.277 9.301 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.529 11.116 0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.993 10.351 0.707 1.00 0.00 H new ATOM 948 N ALA A 64 -11.585 5.856 0.054 1.00 0.00 N ATOM 949 CA ALA A 64 -12.396 4.661 -0.094 1.00 0.00 C ATOM 950 C ALA A 64 -11.947 3.547 0.847 1.00 0.00 C ATOM 951 O ALA A 64 -12.752 3.028 1.623 1.00 0.00 O ATOM 952 CB ALA A 64 -12.363 4.186 -1.538 1.00 0.00 C ATOM 0 H ALA A 64 -11.051 6.102 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.420 4.918 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.974 3.289 -1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.756 4.968 -2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.336 3.959 -1.823 1.00 0.00 H new ATOM 958 N VAL A 65 -10.664 3.191 0.805 1.00 0.00 N ATOM 959 CA VAL A 65 -10.180 2.067 1.601 1.00 0.00 C ATOM 960 C VAL A 65 -10.210 2.428 3.081 1.00 0.00 C ATOM 961 O VAL A 65 -10.483 1.582 3.928 1.00 0.00 O ATOM 962 CB VAL A 65 -8.758 1.589 1.188 1.00 0.00 C ATOM 963 CG1 VAL A 65 -8.507 1.855 -0.284 1.00 0.00 C ATOM 964 CG2 VAL A 65 -7.660 2.206 2.049 1.00 0.00 C ATOM 0 H VAL A 65 -9.953 3.655 0.239 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.852 1.231 1.409 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.723 0.513 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.507 1.513 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.245 1.320 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.589 2.924 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.689 1.839 1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.689 3.291 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.817 1.929 3.092 1.00 0.00 H new ATOM 974 N ARG A 66 -9.977 3.708 3.376 1.00 0.00 N ATOM 975 CA ARG A 66 -9.979 4.195 4.749 1.00 0.00 C ATOM 976 C ARG A 66 -11.355 4.013 5.374 1.00 0.00 C ATOM 977 O ARG A 66 -11.484 3.834 6.586 1.00 0.00 O ATOM 978 CB ARG A 66 -9.573 5.672 4.797 1.00 0.00 C ATOM 979 CG ARG A 66 -8.183 5.941 4.241 1.00 0.00 C ATOM 980 CD ARG A 66 -7.834 7.423 4.275 1.00 0.00 C ATOM 981 NE ARG A 66 -7.553 7.898 5.631 1.00 0.00 N ATOM 982 CZ ARG A 66 -7.136 9.131 5.925 1.00 0.00 C ATOM 983 NH1 ARG A 66 -7.061 10.061 4.979 1.00 0.00 N ATOM 984 NH2 ARG A 66 -6.830 9.432 7.178 1.00 0.00 N ATOM 0 H ARG A 66 -9.784 4.425 2.677 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.253 3.615 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.300 6.258 4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.615 6.018 5.830 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.447 5.381 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.126 5.578 3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.965 7.604 3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.659 7.998 3.855 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.685 7.243 6.402 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.323 9.835 4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.741 11.001 5.212 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.914 8.724 7.908 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.510 10.372 7.413 1.00 0.00 H new ATOM 998 N GLN A 67 -12.382 4.044 4.534 1.00 0.00 N ATOM 999 CA GLN A 67 -13.746 3.850 4.990 1.00 0.00 C ATOM 1000 C GLN A 67 -14.075 2.365 5.137 1.00 0.00 C ATOM 1001 O GLN A 67 -14.840 1.990 6.019 1.00 0.00 O ATOM 1002 CB GLN A 67 -14.729 4.536 4.047 1.00 0.00 C ATOM 1003 CG GLN A 67 -14.655 6.055 4.100 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.673 6.725 3.200 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -16.045 6.191 2.158 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -16.140 7.897 3.604 1.00 0.00 N ATOM 0 H GLN A 67 -12.292 4.202 3.530 1.00 0.00 H new ATOM 0 HA GLN A 67 -13.840 4.307 5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.534 4.205 3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.742 4.220 4.297 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.811 6.386 5.127 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.654 6.376 3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.805 8.306 4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.835 8.390 3.043 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.483 1.520 4.289 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.678 0.074 4.386 1.00 0.00 C ATOM 1017 C GLU A 68 -13.057 -0.455 5.672 1.00 0.00 C ATOM 1018 O GLU A 68 -13.512 -1.448 6.228 1.00 0.00 O ATOM 1019 CB GLU A 68 -13.065 -0.659 3.192 1.00 0.00 C ATOM 1020 CG GLU A 68 -13.435 -0.065 1.847 1.00 0.00 C ATOM 1021 CD GLU A 68 -13.550 -1.110 0.756 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -12.601 -1.911 0.586 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -14.583 -1.144 0.062 1.00 0.00 O ATOM 0 H GLU A 68 -12.867 1.812 3.530 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.752 -0.111 4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.980 -0.654 3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.382 -1.701 3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.383 0.465 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.684 0.671 1.561 1.00 0.00 H new ATOM 1030 N MET A 69 -12.014 0.224 6.142 1.00 0.00 N ATOM 1031 CA MET A 69 -11.381 -0.118 7.417 1.00 0.00 C ATOM 1032 C MET A 69 -12.389 0.046 8.548 1.00 0.00 C ATOM 1033 O MET A 69 -12.338 -0.645 9.565 1.00 0.00 O ATOM 1034 CB MET A 69 -10.175 0.789 7.676 1.00 0.00 C ATOM 1035 CG MET A 69 -9.207 0.873 6.511 1.00 0.00 C ATOM 1036 SD MET A 69 -7.888 2.068 6.793 1.00 0.00 S ATOM 1037 CE MET A 69 -6.868 1.152 7.939 1.00 0.00 C ATOM 0 H MET A 69 -11.587 1.015 5.660 1.00 0.00 H new ATOM 0 HA MET A 69 -11.042 -1.153 7.372 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.531 1.792 7.913 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.641 0.425 8.554 1.00 0.00 H new ATOM 0 HG2 MET A 69 -8.770 -0.110 6.334 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.753 1.146 5.608 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.818 1.383 7.757 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.129 1.429 8.960 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.034 0.084 7.800 1.00 0.00 H new ATOM 1047 N ARG A 70 -13.318 0.971 8.339 1.00 0.00 N ATOM 1048 CA ARG A 70 -14.359 1.276 9.307 1.00 0.00 C ATOM 1049 C ARG A 70 -15.663 0.639 8.846 1.00 0.00 C ATOM 1050 O ARG A 70 -16.749 0.965 9.328 1.00 0.00 O ATOM 1051 CB ARG A 70 -14.522 2.794 9.414 1.00 0.00 C ATOM 1052 CG ARG A 70 -13.195 3.532 9.405 1.00 0.00 C ATOM 1053 CD ARG A 70 -13.367 5.036 9.262 1.00 0.00 C ATOM 1054 NE ARG A 70 -13.689 5.685 10.531 1.00 0.00 N ATOM 1055 CZ ARG A 70 -12.853 6.504 11.175 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -11.632 6.720 10.702 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -13.228 7.093 12.304 1.00 0.00 N ATOM 0 H ARG A 70 -13.369 1.532 7.489 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.090 0.880 10.286 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.135 3.148 8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.059 3.033 10.332 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.657 3.317 10.328 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.581 3.160 8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.450 5.467 8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.159 5.241 8.541 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.602 5.503 10.948 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.329 6.260 9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.997 7.346 11.197 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.159 6.921 12.684 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.585 7.717 12.791 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.458 -4.105 4.529 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.868 -3.956 3.200 1.00 0.00 C ATOM 1205 C VAL B 79 -8.425 -4.481 3.202 1.00 0.00 C ATOM 1206 O VAL B 79 -7.836 -4.746 2.155 1.00 0.00 O ATOM 1207 CB VAL B 79 -9.939 -2.476 2.727 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.430 -1.530 3.788 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.167 -2.252 1.442 1.00 0.00 C ATOM 0 HA VAL B 79 -10.442 -4.551 2.490 1.00 0.00 H new ATOM 0 HB VAL B 79 -10.992 -2.267 2.539 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -9.494 -0.505 3.423 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -10.036 -1.633 4.688 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -8.392 -1.768 4.020 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -9.244 -1.205 1.149 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -8.119 -2.509 1.597 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -9.582 -2.881 0.654 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.881 -4.642 4.401 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.612 -5.322 4.616 1.00 0.00 C ATOM 1221 C ALA B 80 -6.518 -6.625 3.816 1.00 0.00 C ATOM 1222 O ALA B 80 -5.602 -6.807 3.015 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.454 -5.612 6.092 1.00 0.00 C ATOM 0 H ALA B 80 -8.313 -4.301 5.260 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.811 -4.669 4.269 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.506 -6.122 6.263 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.469 -4.676 6.650 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -7.273 -6.248 6.428 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.479 -7.521 4.023 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.482 -8.810 3.333 1.00 0.00 C ATOM 1231 C GLN B 81 -7.754 -8.618 1.850 1.00 0.00 C ATOM 1232 O GLN B 81 -7.298 -9.395 1.017 1.00 0.00 O ATOM 1233 CB GLN B 81 -8.533 -9.745 3.937 1.00 0.00 C ATOM 1234 CG GLN B 81 -7.959 -11.026 4.527 1.00 0.00 C ATOM 1235 CD GLN B 81 -7.759 -12.148 3.516 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -7.473 -11.812 2.269 1.00 0.00 O flip ATOM 1237 NE2 GLN B 81 -7.863 -13.322 3.864 1.00 0.00 N flip ATOM 0 H GLN B 81 -8.263 -7.380 4.660 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.498 -9.263 3.457 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -9.075 -9.210 4.716 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.258 -10.006 3.166 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -7.001 -10.799 4.995 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -8.623 -11.378 5.316 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -8.085 -13.549 4.833 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -7.728 -14.070 3.183 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.488 -7.567 1.536 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.816 -7.235 0.165 1.00 0.00 C ATOM 1248 C ARG B 82 -7.545 -6.831 -0.587 1.00 0.00 C ATOM 1249 O ARG B 82 -7.378 -7.124 -1.774 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.854 -6.110 0.187 1.00 0.00 C ATOM 1251 CG ARG B 82 -10.062 -5.412 -1.133 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.821 -6.267 -2.132 1.00 0.00 C ATOM 1253 NE ARG B 82 -11.377 -5.458 -3.217 1.00 0.00 N ATOM 1254 CZ ARG B 82 -11.218 -5.722 -4.514 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -10.543 -6.797 -4.902 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -11.760 -4.921 -5.425 1.00 0.00 N ATOM 0 H ARG B 82 -8.873 -6.921 2.225 1.00 0.00 H new ATOM 0 HA ARG B 82 -9.238 -8.093 -0.359 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.807 -6.522 0.518 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.551 -5.371 0.929 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -10.608 -4.483 -0.967 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -9.093 -5.142 -1.554 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -10.154 -7.023 -2.546 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.626 -6.796 -1.622 1.00 0.00 H new ATOM 0 HE ARG B 82 -11.924 -4.635 -2.964 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -10.143 -7.426 -4.206 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -10.425 -6.994 -5.896 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -12.297 -4.105 -5.132 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -11.639 -5.122 -6.418 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.636 -6.193 0.135 1.00 0.00 N ATOM 1271 CA LEU B 83 -5.358 -5.783 -0.422 1.00 0.00 C ATOM 1272 C LEU B 83 -4.407 -6.975 -0.513 1.00 0.00 C ATOM 1273 O LEU B 83 -3.670 -7.107 -1.488 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.746 -4.662 0.427 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.368 -4.172 -0.029 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.358 -3.856 -1.514 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.953 -2.946 0.760 1.00 0.00 C ATOM 0 H LEU B 83 -6.763 -5.947 1.117 1.00 0.00 H new ATOM 0 HA LEU B 83 -5.521 -5.402 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -5.432 -3.815 0.429 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -4.667 -5.011 1.457 1.00 0.00 H new ATOM 0 HG LEU B 83 -2.655 -4.975 0.155 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.366 -3.511 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.611 -4.753 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -4.090 -3.076 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -1.972 -2.611 0.423 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -3.681 -2.150 0.605 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -2.907 -3.194 1.820 1.00 0.00 H new ATOM 1289 N MET B 84 -4.450 -7.846 0.499 1.00 0.00 N ATOM 1290 CA MET B 84 -3.618 -9.056 0.524 1.00 0.00 C ATOM 1291 C MET B 84 -3.728 -9.816 -0.791 1.00 0.00 C ATOM 1292 O MET B 84 -2.725 -10.189 -1.400 1.00 0.00 O ATOM 1293 CB MET B 84 -4.048 -9.991 1.659 1.00 0.00 C ATOM 1294 CG MET B 84 -3.845 -9.432 3.052 1.00 0.00 C ATOM 1295 SD MET B 84 -4.470 -10.551 4.323 1.00 0.00 S ATOM 1296 CE MET B 84 -4.068 -9.642 5.812 1.00 0.00 C ATOM 0 H MET B 84 -5.053 -7.737 1.314 1.00 0.00 H new ATOM 0 HA MET B 84 -2.588 -8.736 0.681 1.00 0.00 H new ATOM 0 HB2 MET B 84 -5.103 -10.235 1.530 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.492 -10.925 1.572 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.783 -9.249 3.219 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.351 -8.470 3.135 1.00 0.00 H new ATOM 0 HE1 MET B 84 -4.313 -10.247 6.685 1.00 0.00 H new ATOM 0 HE2 MET B 84 -3.003 -9.409 5.819 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.643 -8.716 5.839 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.966 -10.021 -1.221 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.253 -10.773 -2.434 1.00 0.00 C ATOM 1308 C GLN B 85 -4.685 -10.067 -3.660 1.00 0.00 C ATOM 1309 O GLN B 85 -4.126 -10.708 -4.549 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.765 -10.945 -2.597 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.434 -11.598 -1.402 1.00 0.00 C ATOM 1312 CD GLN B 85 -8.943 -11.559 -1.492 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -9.578 -10.605 -1.041 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -9.528 -12.584 -2.084 1.00 0.00 N ATOM 0 H GLN B 85 -5.796 -9.672 -0.741 1.00 0.00 H new ATOM 0 HA GLN B 85 -4.781 -11.752 -2.347 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -7.217 -9.968 -2.767 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -6.960 -11.546 -3.485 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -7.104 -12.634 -1.326 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -7.114 -11.094 -0.490 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -8.965 -13.354 -2.444 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -10.543 -12.605 -2.181 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.799 -8.742 -3.678 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.425 -7.954 -4.851 1.00 0.00 C ATOM 1325 C HIS B 86 -2.918 -8.021 -5.123 1.00 0.00 C ATOM 1326 O HIS B 86 -2.483 -7.909 -6.268 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.882 -6.501 -4.680 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.848 -5.697 -5.947 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.747 -5.877 -6.980 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -4.033 -4.690 -6.335 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.489 -5.011 -7.941 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.457 -4.279 -7.574 1.00 0.00 N ATOM 0 H HIS B 86 -5.147 -8.190 -2.894 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.929 -8.383 -5.717 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.898 -6.495 -4.285 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.248 -6.017 -3.937 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.203 -4.285 -5.775 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -6.031 -4.918 -8.870 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -4.040 -3.527 -8.123 1.00 0.00 H new ATOM 1341 N LEU B 87 -2.113 -8.202 -4.078 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.678 -8.392 -4.274 1.00 0.00 C ATOM 1343 C LEU B 87 -0.383 -9.834 -4.677 1.00 0.00 C ATOM 1344 O LEU B 87 0.507 -10.097 -5.491 1.00 0.00 O ATOM 1345 CB LEU B 87 0.141 -8.043 -3.020 1.00 0.00 C ATOM 1346 CG LEU B 87 0.285 -6.549 -2.679 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.165 -5.673 -3.920 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.725 -6.135 -1.627 1.00 0.00 C ATOM 0 H LEU B 87 -2.422 -8.221 -3.106 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.380 -7.709 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.315 -8.544 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.140 -8.462 -3.139 1.00 0.00 H new ATOM 0 HG LEU B 87 1.285 -6.403 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.272 -4.626 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU B 87 0.948 -5.939 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -0.811 -5.827 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.603 -5.075 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -1.733 -6.313 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.566 -6.718 -0.720 1.00 0.00 H new ATOM 1360 N ALA B 88 -1.157 -10.760 -4.125 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.940 -12.185 -4.350 1.00 0.00 C ATOM 1362 C ALA B 88 -1.206 -12.577 -5.800 1.00 0.00 C ATOM 1363 O ALA B 88 -0.696 -13.591 -6.280 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.814 -13.000 -3.411 1.00 0.00 C ATOM 0 H ALA B 88 -1.946 -10.548 -3.514 1.00 0.00 H new ATOM 0 HA ALA B 88 0.108 -12.399 -4.142 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.645 -14.062 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -1.562 -12.758 -2.378 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.862 -12.765 -3.594 1.00 0.00 H new ATOM 1370 N GLU B 89 -2.002 -11.766 -6.494 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.332 -12.016 -7.896 1.00 0.00 C ATOM 1372 C GLU B 89 -1.093 -11.964 -8.782 1.00 0.00 C ATOM 1373 O GLU B 89 -1.008 -12.668 -9.788 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.329 -10.978 -8.412 1.00 0.00 C ATOM 1375 CG GLU B 89 -4.556 -10.806 -7.542 1.00 0.00 C ATOM 1376 CD GLU B 89 -5.476 -9.719 -8.052 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.027 -8.561 -8.180 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -6.653 -10.014 -8.343 1.00 0.00 O ATOM 0 H GLU B 89 -2.432 -10.926 -6.106 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.768 -13.014 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -2.822 -10.017 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -3.646 -11.263 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -5.101 -11.749 -7.497 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -4.246 -10.568 -6.524 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.133 -11.129 -8.409 1.00 0.00 N ATOM 1386 CA HIS B 90 0.981 -10.821 -9.295 1.00 0.00 C ATOM 1387 C HIS B 90 2.248 -11.584 -8.911 1.00 0.00 C ATOM 1388 O HIS B 90 2.628 -12.538 -9.586 1.00 0.00 O ATOM 1389 CB HIS B 90 1.241 -9.311 -9.321 1.00 0.00 C ATOM 1390 CG HIS B 90 0.068 -8.509 -9.815 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -1.040 -8.065 -9.172 1.00 0.00 N flip ATOM 1392 CD2 HIS B 90 -0.058 -8.082 -11.118 1.00 0.00 C flip ATOM 1393 CE1 HIS B 90 -1.805 -7.388 -10.089 1.00 0.00 C flip ATOM 1394 NE2 HIS B 90 -1.189 -7.416 -11.255 1.00 0.00 N flip ATOM 0 H HIS B 90 -0.103 -10.656 -7.506 1.00 0.00 H new ATOM 0 HA HIS B 90 0.703 -11.147 -10.297 1.00 0.00 H new ATOM 0 HB2 HIS B 90 1.502 -8.978 -8.316 1.00 0.00 H new ATOM 0 HB3 HIS B 90 2.103 -9.110 -9.957 1.00 0.00 H new ATOM 0 HD1 HIS B 90 -1.264 -8.208 -8.187 1.00 0.00 H new ATOM 0 HD2 HIS B 90 0.658 -8.264 -11.906 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -2.753 -6.912 -9.889 1.00 0.00 H new ATOM 1403 N GLY B 91 2.898 -11.170 -7.832 1.00 0.00 N ATOM 1404 CA GLY B 91 4.105 -11.852 -7.395 1.00 0.00 C ATOM 1405 C GLY B 91 4.905 -11.034 -6.404 1.00 0.00 C ATOM 1406 O GLY B 91 6.128 -11.152 -6.334 1.00 0.00 O ATOM 0 H GLY B 91 2.615 -10.379 -7.253 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.836 -12.806 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.726 -12.076 -8.262 1.00 0.00 H new ATOM 1410 N ILE B 92 4.196 -10.221 -5.632 1.00 0.00 N ATOM 1411 CA ILE B 92 4.794 -9.323 -4.649 1.00 0.00 C ATOM 1412 C ILE B 92 5.721 -10.057 -3.684 1.00 0.00 C ATOM 1413 O ILE B 92 5.460 -11.202 -3.306 1.00 0.00 O ATOM 1414 CB ILE B 92 3.672 -8.602 -3.863 1.00 0.00 C ATOM 1415 CG1 ILE B 92 3.204 -7.378 -4.643 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.100 -8.215 -2.451 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.483 -7.711 -5.925 1.00 0.00 C ATOM 0 H ILE B 92 3.178 -10.165 -5.670 1.00 0.00 H new ATOM 0 HA ILE B 92 5.402 -8.596 -5.187 1.00 0.00 H new ATOM 0 HB ILE B 92 2.844 -9.302 -3.752 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.544 -6.786 -4.009 1.00 0.00 H new ATOM 0 HG13 ILE B 92 4.068 -6.754 -4.874 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.275 -7.713 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.374 -9.112 -1.895 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.957 -7.543 -2.502 1.00 0.00 H new ATOM 0 HD11 ILE B 92 2.181 -6.789 -6.423 1.00 0.00 H new ATOM 0 HD12 ILE B 92 3.147 -8.276 -6.579 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.599 -8.308 -5.701 1.00 0.00 H new ATOM 1429 N GLN B 93 6.810 -9.394 -3.303 1.00 0.00 N ATOM 1430 CA GLN B 93 7.740 -9.945 -2.324 1.00 0.00 C ATOM 1431 C GLN B 93 7.277 -9.576 -0.917 1.00 0.00 C ATOM 1432 O GLN B 93 7.477 -8.449 -0.466 1.00 0.00 O ATOM 1433 CB GLN B 93 9.168 -9.437 -2.566 1.00 0.00 C ATOM 1434 CG GLN B 93 9.799 -9.922 -3.867 1.00 0.00 C ATOM 1435 CD GLN B 93 9.423 -9.079 -5.075 1.00 0.00 C ATOM 1436 OE1 GLN B 93 10.099 -8.104 -5.401 1.00 0.00 O ATOM 1437 NE2 GLN B 93 8.356 -9.457 -5.757 1.00 0.00 N ATOM 0 H GLN B 93 7.069 -8.474 -3.658 1.00 0.00 H new ATOM 0 HA GLN B 93 7.752 -11.030 -2.430 1.00 0.00 H new ATOM 0 HB2 GLN B 93 9.157 -8.347 -2.566 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.798 -9.749 -1.733 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.883 -9.922 -3.757 1.00 0.00 H new ATOM 0 HG3 GLN B 93 9.496 -10.954 -4.046 1.00 0.00 H new ATOM 0 HE21 GLN B 93 7.820 -10.271 -5.456 1.00 0.00 H new ATOM 0 HE22 GLN B 93 8.068 -8.935 -6.584 1.00 0.00 H new