USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 532 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 33 TYR OH : rot 106:sc= 0.0424 USER MOD Set 1.2: A 37 ASN : amide:sc= -0.361 X(o=-0.31,f=-0.24) USER MOD Set 1.3: A 70 TYR OH : rot 180:sc= 0.0135 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -139:sc= -0.129 (180deg=-0.634) USER MOD Single : A 27 THR OG1 : rot -121:sc= 0.924 USER MOD Single : A 34 THR OG1 : rot 114:sc= 0.00557 USER MOD Single : A 35 ASN : amide:sc= -7.29! C(o=-7.3!,f=-8.2!) USER MOD Single : A 40 ASN : amide:sc= -0.0675 X(o=-0.068,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -129:sc= -0.439 (180deg=-2.35!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -5.8! C(o=-7.2!,f=-5.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 65 GLN : amide:sc= -0.0756 X(o=-0.076,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.732 K(o=0.73,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 197 N TRP A 16 -0.136 -6.483 -2.249 1.00 0.00 N ATOM 198 CA TRP A 16 -0.849 -5.525 -1.411 1.00 0.00 C ATOM 199 C TRP A 16 -0.659 -5.847 0.067 1.00 0.00 C ATOM 200 O TRP A 16 -0.079 -5.059 0.812 1.00 0.00 O ATOM 201 CB TRP A 16 -2.339 -5.524 -1.758 1.00 0.00 C ATOM 202 CG TRP A 16 -2.685 -4.604 -2.890 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.850 -4.177 -3.883 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.956 -3.997 -3.143 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.526 -3.340 -4.738 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.820 -3.214 -4.306 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.197 -4.039 -2.501 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.878 -2.481 -4.838 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.245 -3.311 -3.030 1.00 0.00 C ATOM 210 CH2 TRP A 16 -6.081 -2.541 -4.189 1.00 0.00 C ATOM 0 HA TRP A 16 -0.437 -4.534 -1.603 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.645 -6.538 -2.017 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.910 -5.234 -0.876 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.811 -4.456 -3.982 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.129 -2.886 -5.561 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.334 -4.630 -1.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.753 -1.886 -5.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.208 -3.336 -2.542 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.921 -1.984 -4.578 1.00 0.00 H new ATOM 221 N GLU A 17 -1.152 -7.009 0.484 1.00 0.00 N ATOM 222 CA GLU A 17 -1.036 -7.433 1.874 1.00 0.00 C ATOM 223 C GLU A 17 0.358 -7.135 2.419 1.00 0.00 C ATOM 224 O GLU A 17 0.517 -6.764 3.582 1.00 0.00 O ATOM 225 CB GLU A 17 -1.337 -8.927 2.002 1.00 0.00 C ATOM 226 CG GLU A 17 -0.726 -9.768 0.893 1.00 0.00 C ATOM 227 CD GLU A 17 -0.912 -11.256 1.120 1.00 0.00 C ATOM 228 OE1 GLU A 17 -2.056 -11.738 0.988 1.00 0.00 O ATOM 229 OE2 GLU A 17 0.088 -11.938 1.429 1.00 0.00 O ATOM 0 H GLU A 17 -1.635 -7.673 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.764 -6.872 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.966 -9.283 2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.417 -9.073 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.178 -9.490 -0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.338 -9.546 0.818 1.00 0.00 H new ATOM 236 N LYS A 18 1.366 -7.300 1.570 1.00 0.00 N ATOM 237 CA LYS A 18 2.748 -7.050 1.963 1.00 0.00 C ATOM 238 C LYS A 18 2.938 -5.596 2.385 1.00 0.00 C ATOM 239 O LYS A 18 3.537 -5.315 3.423 1.00 0.00 O ATOM 240 CB LYS A 18 3.697 -7.385 0.811 1.00 0.00 C ATOM 241 CG LYS A 18 5.064 -7.863 1.269 1.00 0.00 C ATOM 242 CD LYS A 18 5.675 -8.838 0.276 1.00 0.00 C ATOM 243 CE LYS A 18 5.841 -8.204 -1.097 1.00 0.00 C ATOM 244 NZ LYS A 18 6.016 -9.229 -2.163 1.00 0.00 N ATOM 0 H LYS A 18 1.252 -7.606 0.604 1.00 0.00 H new ATOM 0 HA LYS A 18 2.979 -7.691 2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.242 -8.155 0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.821 -6.501 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.727 -7.007 1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.975 -8.343 2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.645 -9.173 0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.042 -9.722 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.968 -7.591 -1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.704 -7.538 -1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.126 -8.757 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.863 -9.798 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.181 -9.849 -2.189 1.00 0.00 H new ATOM 258 N GLU A 19 2.422 -4.677 1.575 1.00 0.00 N ATOM 259 CA GLU A 19 2.535 -3.253 1.866 1.00 0.00 C ATOM 260 C GLU A 19 1.735 -2.887 3.113 1.00 0.00 C ATOM 261 O GLU A 19 2.152 -2.042 3.904 1.00 0.00 O ATOM 262 CB GLU A 19 2.049 -2.425 0.674 1.00 0.00 C ATOM 263 CG GLU A 19 2.912 -2.580 -0.567 1.00 0.00 C ATOM 264 CD GLU A 19 4.360 -2.886 -0.236 1.00 0.00 C ATOM 265 OE1 GLU A 19 4.680 -4.074 -0.021 1.00 0.00 O ATOM 266 OE2 GLU A 19 5.172 -1.939 -0.191 1.00 0.00 O ATOM 0 H GLU A 19 1.922 -4.893 0.713 1.00 0.00 H new ATOM 0 HA GLU A 19 3.586 -3.029 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.026 -2.715 0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.023 -1.373 0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.508 -3.380 -1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.863 -1.664 -1.156 1.00 0.00 H new ATOM 273 N GLU A 20 0.584 -3.530 3.281 1.00 0.00 N ATOM 274 CA GLU A 20 -0.275 -3.272 4.430 1.00 0.00 C ATOM 275 C GLU A 20 0.538 -3.248 5.722 1.00 0.00 C ATOM 276 O GLU A 20 0.295 -2.427 6.605 1.00 0.00 O ATOM 277 CB GLU A 20 -1.372 -4.334 4.524 1.00 0.00 C ATOM 278 CG GLU A 20 -2.647 -3.958 3.789 1.00 0.00 C ATOM 279 CD GLU A 20 -3.457 -2.908 4.523 1.00 0.00 C ATOM 280 OE1 GLU A 20 -3.737 -3.108 5.724 1.00 0.00 O ATOM 281 OE2 GLU A 20 -3.810 -1.886 3.899 1.00 0.00 O ATOM 0 H GLU A 20 0.225 -4.234 2.636 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.737 -2.294 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.993 -5.273 4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.606 -4.510 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.393 -3.587 2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.258 -4.850 3.649 1.00 0.00 H new ATOM 288 N ALA A 21 1.503 -4.157 5.824 1.00 0.00 N ATOM 289 CA ALA A 21 2.352 -4.240 7.005 1.00 0.00 C ATOM 290 C ALA A 21 3.201 -2.982 7.161 1.00 0.00 C ATOM 291 O ALA A 21 3.475 -2.540 8.278 1.00 0.00 O ATOM 292 CB ALA A 21 3.240 -5.473 6.931 1.00 0.00 C ATOM 0 H ALA A 21 1.716 -4.846 5.102 1.00 0.00 H new ATOM 0 HA ALA A 21 1.708 -4.322 7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.869 -5.522 7.820 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.618 -6.367 6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.870 -5.415 6.043 1.00 0.00 H new ATOM 298 N LEU A 22 3.614 -2.411 6.036 1.00 0.00 N ATOM 299 CA LEU A 22 4.433 -1.203 6.047 1.00 0.00 C ATOM 300 C LEU A 22 3.627 -0.003 6.531 1.00 0.00 C ATOM 301 O LEU A 22 4.189 1.027 6.901 1.00 0.00 O ATOM 302 CB LEU A 22 4.990 -0.928 4.649 1.00 0.00 C ATOM 303 CG LEU A 22 5.739 -2.084 3.985 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.777 -1.899 2.476 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.150 -2.197 4.545 1.00 0.00 C ATOM 0 H LEU A 22 3.396 -2.764 5.104 1.00 0.00 H new ATOM 0 HA LEU A 22 5.262 -1.362 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.163 -0.638 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.663 -0.073 4.710 1.00 0.00 H new ATOM 0 HG LEU A 22 5.207 -3.010 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.314 -2.731 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.759 -1.868 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.285 -0.965 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.668 -3.025 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.692 -1.270 4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.102 -2.377 5.619 1.00 0.00 H new ATOM 317 N GLY A 23 2.305 -0.144 6.529 1.00 0.00 N ATOM 318 CA GLY A 23 1.442 0.935 6.972 1.00 0.00 C ATOM 319 C GLY A 23 1.679 2.220 6.202 1.00 0.00 C ATOM 320 O GLY A 23 1.479 2.269 4.989 1.00 0.00 O ATOM 0 H GLY A 23 1.816 -0.987 6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.401 0.633 6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.607 1.116 8.034 1.00 0.00 H new ATOM 324 N GLU A 24 2.105 3.262 6.909 1.00 0.00 N ATOM 325 CA GLU A 24 2.366 4.553 6.284 1.00 0.00 C ATOM 326 C GLU A 24 3.447 4.430 5.214 1.00 0.00 C ATOM 327 O GLU A 24 3.634 5.334 4.400 1.00 0.00 O ATOM 328 CB GLU A 24 2.790 5.578 7.338 1.00 0.00 C ATOM 329 CG GLU A 24 1.723 5.852 8.384 1.00 0.00 C ATOM 330 CD GLU A 24 2.267 6.585 9.595 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.339 7.832 9.551 1.00 0.00 O ATOM 332 OE2 GLU A 24 2.622 5.914 10.586 1.00 0.00 O ATOM 0 H GLU A 24 2.277 3.237 7.914 1.00 0.00 H new ATOM 0 HA GLU A 24 1.445 4.891 5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.692 5.223 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.048 6.513 6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.923 6.442 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.282 4.908 8.703 1.00 0.00 H new ATOM 339 N MET A 25 4.157 3.307 5.224 1.00 0.00 N ATOM 340 CA MET A 25 5.219 3.065 4.254 1.00 0.00 C ATOM 341 C MET A 25 4.675 2.358 3.017 1.00 0.00 C ATOM 342 O MET A 25 5.386 2.182 2.029 1.00 0.00 O ATOM 343 CB MET A 25 6.334 2.229 4.885 1.00 0.00 C ATOM 344 CG MET A 25 7.469 3.063 5.456 1.00 0.00 C ATOM 345 SD MET A 25 8.332 4.019 4.194 1.00 0.00 S ATOM 346 CE MET A 25 8.978 2.708 3.159 1.00 0.00 C ATOM 0 H MET A 25 4.016 2.550 5.893 1.00 0.00 H new ATOM 0 HA MET A 25 5.626 4.029 3.950 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.911 1.614 5.679 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.736 1.548 4.134 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.072 3.741 6.212 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.180 2.407 5.958 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.995 2.953 2.854 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.982 1.772 3.718 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.350 2.600 2.274 1.00 0.00 H new ATOM 356 N ALA A 26 3.410 1.955 3.080 1.00 0.00 N ATOM 357 CA ALA A 26 2.771 1.269 1.964 1.00 0.00 C ATOM 358 C ALA A 26 3.192 1.878 0.631 1.00 0.00 C ATOM 359 O ALA A 26 3.003 3.072 0.395 1.00 0.00 O ATOM 360 CB ALA A 26 1.257 1.314 2.113 1.00 0.00 C ATOM 0 H ALA A 26 2.808 2.092 3.892 1.00 0.00 H new ATOM 0 HA ALA A 26 3.095 0.228 1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.793 0.798 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.968 0.825 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.924 2.352 2.130 1.00 0.00 H new ATOM 366 N THR A 27 3.763 1.051 -0.239 1.00 0.00 N ATOM 367 CA THR A 27 4.213 1.509 -1.548 1.00 0.00 C ATOM 368 C THR A 27 3.068 1.507 -2.554 1.00 0.00 C ATOM 369 O THR A 27 3.292 1.517 -3.765 1.00 0.00 O ATOM 370 CB THR A 27 5.358 0.631 -2.088 1.00 0.00 C ATOM 371 OG1 THR A 27 4.889 -0.703 -2.310 1.00 0.00 O ATOM 372 CG2 THR A 27 6.527 0.608 -1.114 1.00 0.00 C ATOM 0 H THR A 27 3.925 0.060 -0.061 1.00 0.00 H new ATOM 0 HA THR A 27 4.577 2.528 -1.418 1.00 0.00 H new ATOM 0 HB THR A 27 5.700 1.057 -3.031 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.416 -1.329 -1.771 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.323 -0.018 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.900 1.622 -0.970 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.196 0.204 -0.158 1.00 0.00 H new ATOM 380 N VAL A 28 1.839 1.494 -2.046 1.00 0.00 N ATOM 381 CA VAL A 28 0.658 1.492 -2.901 1.00 0.00 C ATOM 382 C VAL A 28 -0.271 2.650 -2.556 1.00 0.00 C ATOM 383 O VAL A 28 -0.251 3.164 -1.438 1.00 0.00 O ATOM 384 CB VAL A 28 -0.120 0.169 -2.780 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.829 -0.156 -4.086 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.812 -0.963 -2.374 1.00 0.00 C ATOM 0 H VAL A 28 1.636 1.485 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 28 1.009 1.605 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.876 0.283 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.373 -1.094 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.528 0.644 -4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.094 -0.251 -4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.245 -1.890 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.592 -1.079 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.268 -0.732 -1.411 1.00 0.00 H new ATOM 396 N ALA A 29 -1.087 3.055 -3.524 1.00 0.00 N ATOM 397 CA ALA A 29 -2.026 4.151 -3.323 1.00 0.00 C ATOM 398 C ALA A 29 -3.149 3.744 -2.374 1.00 0.00 C ATOM 399 O ALA A 29 -3.372 4.365 -1.335 1.00 0.00 O ATOM 400 CB ALA A 29 -2.599 4.607 -4.656 1.00 0.00 C ATOM 0 H ALA A 29 -1.116 2.640 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.485 4.982 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.299 5.426 -4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.790 4.946 -5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.120 3.776 -5.132 1.00 0.00 H new ATOM 406 N PRO A 30 -3.874 2.676 -2.739 1.00 0.00 N ATOM 407 CA PRO A 30 -4.987 2.163 -1.934 1.00 0.00 C ATOM 408 C PRO A 30 -4.513 1.520 -0.634 1.00 0.00 C ATOM 409 O PRO A 30 -5.013 1.838 0.445 1.00 0.00 O ATOM 410 CB PRO A 30 -5.630 1.114 -2.845 1.00 0.00 C ATOM 411 CG PRO A 30 -4.533 0.679 -3.754 1.00 0.00 C ATOM 412 CD PRO A 30 -3.665 1.888 -3.965 1.00 0.00 C ATOM 0 HA PRO A 30 -5.668 2.957 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.022 0.276 -2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.465 1.534 -3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.963 -0.139 -3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.932 0.315 -4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.618 1.614 -4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.960 2.444 -4.855 1.00 0.00 H new ATOM 420 N VAL A 31 -3.546 0.615 -0.745 1.00 0.00 N ATOM 421 CA VAL A 31 -3.004 -0.071 0.422 1.00 0.00 C ATOM 422 C VAL A 31 -2.438 0.922 1.430 1.00 0.00 C ATOM 423 O VAL A 31 -2.189 0.577 2.586 1.00 0.00 O ATOM 424 CB VAL A 31 -1.899 -1.067 0.024 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.601 -2.021 1.170 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.298 -1.833 -1.229 1.00 0.00 C ATOM 0 H VAL A 31 -3.122 0.340 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.829 -0.618 0.879 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.990 -0.506 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.818 -2.717 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.268 -1.453 2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.503 -2.578 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.506 -2.532 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.220 -2.384 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.455 -1.132 -2.049 1.00 0.00 H new ATOM 436 N LEU A 32 -2.238 2.158 0.986 1.00 0.00 N ATOM 437 CA LEU A 32 -1.701 3.204 1.850 1.00 0.00 C ATOM 438 C LEU A 32 -2.826 4.011 2.490 1.00 0.00 C ATOM 439 O LEU A 32 -2.896 4.135 3.713 1.00 0.00 O ATOM 440 CB LEU A 32 -0.784 4.132 1.051 1.00 0.00 C ATOM 441 CG LEU A 32 -0.430 5.462 1.717 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.304 5.224 3.028 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.409 6.321 0.782 1.00 0.00 C ATOM 0 H LEU A 32 -2.439 2.461 0.033 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.124 2.727 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.142 3.598 0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.260 4.343 0.093 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.356 5.995 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.548 6.182 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.332 4.650 3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.223 4.670 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.651 7.263 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.330 5.794 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.153 6.521 -0.130 1.00 0.00 H new ATOM 455 N TYR A 33 -3.705 4.556 1.657 1.00 0.00 N ATOM 456 CA TYR A 33 -4.827 5.351 2.142 1.00 0.00 C ATOM 457 C TYR A 33 -5.464 4.703 3.368 1.00 0.00 C ATOM 458 O TYR A 33 -5.658 5.350 4.398 1.00 0.00 O ATOM 459 CB TYR A 33 -5.874 5.520 1.040 1.00 0.00 C ATOM 460 CG TYR A 33 -7.187 6.085 1.533 1.00 0.00 C ATOM 461 CD1 TYR A 33 -8.156 5.259 2.090 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.458 7.445 1.442 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.357 5.771 2.541 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.656 7.965 1.892 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.602 7.125 2.440 1.00 0.00 C ATOM 466 OH TYR A 33 -10.797 7.638 2.889 1.00 0.00 O ATOM 0 H TYR A 33 -3.662 4.462 0.642 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.447 6.332 2.427 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.473 6.176 0.267 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.057 4.552 0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.967 4.199 2.172 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.720 8.106 1.012 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.100 5.115 2.970 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.851 9.025 1.815 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.652 8.115 3.733 1.00 0.00 H new ATOM 476 N THR A 34 -5.788 3.419 3.250 1.00 0.00 N ATOM 477 CA THR A 34 -6.403 2.682 4.347 1.00 0.00 C ATOM 478 C THR A 34 -5.466 2.596 5.546 1.00 0.00 C ATOM 479 O THR A 34 -5.867 2.857 6.679 1.00 0.00 O ATOM 480 CB THR A 34 -6.797 1.257 3.915 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.712 0.641 3.211 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.033 1.282 3.029 1.00 0.00 C ATOM 0 H THR A 34 -5.635 2.868 2.405 1.00 0.00 H new ATOM 0 HA THR A 34 -7.302 3.230 4.631 1.00 0.00 H new ATOM 0 HB THR A 34 -7.023 0.679 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.369 -0.113 3.734 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.292 0.264 2.737 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.865 1.725 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.830 1.875 2.137 1.00 0.00 H new ATOM 490 N ASN A 35 -4.214 2.230 5.288 1.00 0.00 N ATOM 491 CA ASN A 35 -3.219 2.110 6.347 1.00 0.00 C ATOM 492 C ASN A 35 -3.284 3.306 7.292 1.00 0.00 C ATOM 493 O ASN A 35 -3.193 3.153 8.511 1.00 0.00 O ATOM 494 CB ASN A 35 -1.816 1.996 5.748 1.00 0.00 C ATOM 495 CG ASN A 35 -1.445 0.563 5.415 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.141 -0.376 5.800 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.343 0.390 4.695 1.00 0.00 N ATOM 0 H ASN A 35 -3.865 2.012 4.355 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.438 1.206 6.916 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.759 2.603 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.089 2.403 6.451 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.043 -0.551 4.440 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.204 1.198 4.397 1.00 0.00 H new ATOM 504 N ILE A 36 -3.442 4.496 6.722 1.00 0.00 N ATOM 505 CA ILE A 36 -3.521 5.718 7.513 1.00 0.00 C ATOM 506 C ILE A 36 -4.955 5.997 7.952 1.00 0.00 C ATOM 507 O ILE A 36 -5.267 5.969 9.142 1.00 0.00 O ATOM 508 CB ILE A 36 -2.991 6.932 6.728 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.529 6.712 6.333 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.137 8.201 7.554 1.00 0.00 C ATOM 511 CD1 ILE A 36 -0.979 7.792 5.427 1.00 0.00 C ATOM 0 H ILE A 36 -3.518 4.640 5.715 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.897 5.565 8.394 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.581 7.044 5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.921 6.662 7.236 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.437 5.748 5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.758 9.051 6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.189 8.362 7.790 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.569 8.101 8.479 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.061 7.571 5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.563 7.828 4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.038 8.756 5.932 1.00 0.00 H new ATOM 523 N ASN A 37 -5.823 6.264 6.982 1.00 0.00 N ATOM 524 CA ASN A 37 -7.225 6.547 7.268 1.00 0.00 C ATOM 525 C ASN A 37 -7.805 5.510 8.226 1.00 0.00 C ATOM 526 O ASN A 37 -8.379 5.856 9.258 1.00 0.00 O ATOM 527 CB ASN A 37 -8.037 6.570 5.971 1.00 0.00 C ATOM 528 CG ASN A 37 -7.956 7.909 5.263 1.00 0.00 C ATOM 529 OD1 ASN A 37 -8.946 8.634 5.168 1.00 0.00 O ATOM 530 ND2 ASN A 37 -6.773 8.242 4.761 1.00 0.00 N ATOM 0 H ASN A 37 -5.581 6.290 5.992 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.283 7.527 7.743 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.675 5.787 5.305 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.079 6.342 6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.658 9.130 4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.979 7.610 4.863 1.00 0.00 H new ATOM 537 N PHE A 38 -7.650 4.238 7.876 1.00 0.00 N ATOM 538 CA PHE A 38 -8.159 3.150 8.703 1.00 0.00 C ATOM 539 C PHE A 38 -7.018 2.437 9.424 1.00 0.00 C ATOM 540 O PHE A 38 -6.461 1.453 8.937 1.00 0.00 O ATOM 541 CB PHE A 38 -8.940 2.151 7.847 1.00 0.00 C ATOM 542 CG PHE A 38 -10.187 2.728 7.240 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.127 3.461 6.066 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.419 2.538 7.846 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.273 3.992 5.505 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.568 3.067 7.289 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.495 3.796 6.119 1.00 0.00 C ATOM 0 H PHE A 38 -7.176 3.935 7.025 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.828 3.577 9.450 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.293 1.784 7.050 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.208 1.291 8.460 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.174 3.619 5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.482 1.971 8.763 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.213 4.559 4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.523 2.910 7.769 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.392 4.212 5.684 1.00 0.00 H new ATOM 557 N PRO A 39 -6.662 2.944 10.614 1.00 0.00 N ATOM 558 CA PRO A 39 -5.586 2.371 11.428 1.00 0.00 C ATOM 559 C PRO A 39 -5.959 1.012 12.009 1.00 0.00 C ATOM 560 O PRO A 39 -5.151 0.084 12.010 1.00 0.00 O ATOM 561 CB PRO A 39 -5.403 3.399 12.547 1.00 0.00 C ATOM 562 CG PRO A 39 -6.721 4.086 12.650 1.00 0.00 C ATOM 563 CD PRO A 39 -7.283 4.114 11.256 1.00 0.00 C ATOM 0 HA PRO A 39 -4.684 2.191 10.843 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.133 2.917 13.487 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.606 4.104 12.310 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.387 3.553 13.329 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.605 5.095 13.044 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.370 4.040 11.260 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.028 5.039 10.738 1.00 0.00 H new ATOM 571 N ASN A 40 -7.188 0.901 12.502 1.00 0.00 N ATOM 572 CA ASN A 40 -7.668 -0.346 13.086 1.00 0.00 C ATOM 573 C ASN A 40 -8.327 -1.225 12.027 1.00 0.00 C ATOM 574 O ASN A 40 -8.997 -2.207 12.349 1.00 0.00 O ATOM 575 CB ASN A 40 -8.660 -0.056 14.214 1.00 0.00 C ATOM 576 CG ASN A 40 -8.014 0.666 15.381 1.00 0.00 C ATOM 577 OD1 ASN A 40 -8.445 1.753 15.768 1.00 0.00 O ATOM 578 ND2 ASN A 40 -6.974 0.065 15.947 1.00 0.00 N ATOM 0 H ASN A 40 -7.870 1.660 12.509 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.810 -0.881 13.494 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.481 0.548 13.826 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.092 -0.994 14.564 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.498 0.504 16.735 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.651 -0.836 15.593 1.00 0.00 H new ATOM 585 N LEU A 41 -8.133 -0.865 10.763 1.00 0.00 N ATOM 586 CA LEU A 41 -8.707 -1.621 9.656 1.00 0.00 C ATOM 587 C LEU A 41 -8.650 -3.120 9.932 1.00 0.00 C ATOM 588 O LEU A 41 -9.682 -3.787 10.016 1.00 0.00 O ATOM 589 CB LEU A 41 -7.967 -1.301 8.356 1.00 0.00 C ATOM 590 CG LEU A 41 -8.573 -1.883 7.078 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.619 -0.940 6.506 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.485 -2.161 6.051 1.00 0.00 C ATOM 0 H LEU A 41 -7.583 -0.054 10.480 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.752 -1.329 9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.914 -0.218 8.249 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.943 -1.663 8.446 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.060 -2.826 7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.039 -1.371 5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.413 -0.791 7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.156 0.019 6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.934 -2.575 5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.969 -1.232 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.771 -2.875 6.461 1.00 0.00 H new ATOM 604 N LYS A 42 -7.438 -3.644 10.074 1.00 0.00 N ATOM 605 CA LYS A 42 -7.244 -5.064 10.344 1.00 0.00 C ATOM 606 C LYS A 42 -8.360 -5.605 11.233 1.00 0.00 C ATOM 607 O LYS A 42 -8.890 -6.688 10.987 1.00 0.00 O ATOM 608 CB LYS A 42 -5.887 -5.297 11.012 1.00 0.00 C ATOM 609 CG LYS A 42 -5.677 -4.467 12.267 1.00 0.00 C ATOM 610 CD LYS A 42 -4.387 -4.846 12.976 1.00 0.00 C ATOM 611 CE LYS A 42 -3.170 -4.292 12.252 1.00 0.00 C ATOM 612 NZ LYS A 42 -2.733 -5.183 11.141 1.00 0.00 N ATOM 0 H LYS A 42 -6.574 -3.106 10.007 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.269 -5.596 9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.792 -6.353 11.265 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.096 -5.068 10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.652 -3.409 12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.520 -4.608 12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.407 -4.467 13.998 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.311 -5.931 13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.402 -3.304 11.855 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.351 -4.167 12.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.715 -5.376 11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.260 -6.078 11.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.918 -4.718 10.230 1.00 0.00 H new ATOM 626 N GLU A 43 -8.711 -4.844 12.264 1.00 0.00 N ATOM 627 CA GLU A 43 -9.764 -5.249 13.188 1.00 0.00 C ATOM 628 C GLU A 43 -11.076 -5.488 12.446 1.00 0.00 C ATOM 629 O GLU A 43 -11.626 -6.589 12.477 1.00 0.00 O ATOM 630 CB GLU A 43 -9.964 -4.183 14.268 1.00 0.00 C ATOM 631 CG GLU A 43 -8.715 -3.906 15.088 1.00 0.00 C ATOM 632 CD GLU A 43 -9.027 -3.278 16.432 1.00 0.00 C ATOM 633 OE1 GLU A 43 -9.910 -2.397 16.485 1.00 0.00 O ATOM 634 OE2 GLU A 43 -8.388 -3.669 17.432 1.00 0.00 O ATOM 0 H GLU A 43 -8.282 -3.944 12.481 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.458 -6.182 13.661 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.292 -3.257 13.796 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.764 -4.501 14.936 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.173 -4.839 15.244 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.056 -3.244 14.526 1.00 0.00 H new ATOM 641 N GLU A 44 -11.571 -4.449 11.781 1.00 0.00 N ATOM 642 CA GLU A 44 -12.819 -4.547 11.032 1.00 0.00 C ATOM 643 C GLU A 44 -12.812 -5.769 10.119 1.00 0.00 C ATOM 644 O GLU A 44 -13.808 -6.484 10.013 1.00 0.00 O ATOM 645 CB GLU A 44 -13.043 -3.279 10.205 1.00 0.00 C ATOM 646 CG GLU A 44 -13.763 -2.177 10.963 1.00 0.00 C ATOM 647 CD GLU A 44 -15.259 -2.409 11.050 1.00 0.00 C ATOM 648 OE1 GLU A 44 -15.664 -3.545 11.376 1.00 0.00 O ATOM 649 OE2 GLU A 44 -16.024 -1.457 10.791 1.00 0.00 O ATOM 0 H GLU A 44 -11.128 -3.531 11.745 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.635 -4.655 11.747 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.079 -2.903 9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.619 -3.533 9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.351 -2.105 11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.575 -1.222 10.473 1.00 0.00 H new ATOM 656 N PHE A 45 -11.681 -6.002 9.461 1.00 0.00 N ATOM 657 CA PHE A 45 -11.543 -7.136 8.555 1.00 0.00 C ATOM 658 C PHE A 45 -10.216 -7.855 8.781 1.00 0.00 C ATOM 659 O PHE A 45 -9.182 -7.495 8.218 1.00 0.00 O ATOM 660 CB PHE A 45 -11.643 -6.670 7.101 1.00 0.00 C ATOM 661 CG PHE A 45 -12.729 -5.659 6.869 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.493 -4.310 7.076 1.00 0.00 C ATOM 663 CD2 PHE A 45 -13.986 -6.058 6.444 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.490 -3.376 6.862 1.00 0.00 C ATOM 665 CE2 PHE A 45 -14.986 -5.130 6.229 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.739 -3.787 6.439 1.00 0.00 C ATOM 0 H PHE A 45 -10.847 -5.420 9.538 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.354 -7.834 8.762 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.688 -6.241 6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.820 -7.535 6.462 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.519 -3.984 7.409 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.186 -7.106 6.279 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.292 -2.327 7.025 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.961 -5.454 5.897 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.521 -3.060 6.273 1.00 0.00 H new ATOM 676 N PRO A 46 -10.244 -8.896 9.627 1.00 0.00 N ATOM 677 CA PRO A 46 -9.052 -9.687 9.948 1.00 0.00 C ATOM 678 C PRO A 46 -8.583 -10.532 8.768 1.00 0.00 C ATOM 679 O PRO A 46 -7.397 -10.547 8.436 1.00 0.00 O ATOM 680 CB PRO A 46 -9.521 -10.585 11.096 1.00 0.00 C ATOM 681 CG PRO A 46 -10.995 -10.696 10.912 1.00 0.00 C ATOM 682 CD PRO A 46 -11.441 -9.380 10.335 1.00 0.00 C ATOM 0 HA PRO A 46 -8.200 -9.056 10.203 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.042 -11.563 11.054 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.275 -10.150 12.065 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.244 -11.520 10.243 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.493 -10.895 11.861 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.286 -9.504 9.658 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.756 -8.685 11.114 1.00 0.00 H new ATOM 690 N ASP A 47 -9.519 -11.233 8.139 1.00 0.00 N ATOM 691 CA ASP A 47 -9.201 -12.080 6.995 1.00 0.00 C ATOM 692 C ASP A 47 -8.864 -11.235 5.771 1.00 0.00 C ATOM 693 O ASP A 47 -9.731 -10.567 5.208 1.00 0.00 O ATOM 694 CB ASP A 47 -10.373 -13.010 6.681 1.00 0.00 C ATOM 695 CG ASP A 47 -10.845 -13.780 7.899 1.00 0.00 C ATOM 696 OD1 ASP A 47 -10.042 -14.558 8.456 1.00 0.00 O ATOM 697 OD2 ASP A 47 -12.016 -13.607 8.294 1.00 0.00 O ATOM 0 H ASP A 47 -10.505 -11.232 8.402 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.329 -12.681 7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.201 -12.424 6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.076 -13.713 5.903 1.00 0.00 H new ATOM 702 N TRP A 48 -7.599 -11.268 5.366 1.00 0.00 N ATOM 703 CA TRP A 48 -7.147 -10.504 4.209 1.00 0.00 C ATOM 704 C TRP A 48 -8.131 -10.635 3.052 1.00 0.00 C ATOM 705 O TRP A 48 -8.718 -9.648 2.607 1.00 0.00 O ATOM 706 CB TRP A 48 -5.759 -10.976 3.771 1.00 0.00 C ATOM 707 CG TRP A 48 -5.290 -10.338 2.498 1.00 0.00 C ATOM 708 CD1 TRP A 48 -4.978 -10.973 1.330 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.077 -8.941 2.267 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.584 -10.055 0.387 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.637 -8.802 0.936 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.218 -7.795 3.054 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.336 -7.562 0.378 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -4.918 -6.566 2.499 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.482 -6.456 1.172 1.00 0.00 C ATOM 0 H TRP A 48 -6.869 -11.815 5.822 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.092 -9.454 4.497 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.042 -10.759 4.563 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.775 -12.058 3.643 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.033 -12.040 1.171 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.298 -10.272 -0.568 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.555 -7.869 4.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.999 -7.476 -0.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.021 -5.674 3.099 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.257 -5.480 0.768 1.00 0.00 H new ATOM 726 N THR A 49 -8.308 -11.860 2.567 1.00 0.00 N ATOM 727 CA THR A 49 -9.220 -12.120 1.460 1.00 0.00 C ATOM 728 C THR A 49 -10.501 -11.305 1.601 1.00 0.00 C ATOM 729 O THR A 49 -11.166 -10.999 0.611 1.00 0.00 O ATOM 730 CB THR A 49 -9.583 -13.614 1.371 1.00 0.00 C ATOM 731 OG1 THR A 49 -8.428 -14.416 1.638 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.137 -13.955 -0.005 1.00 0.00 C ATOM 0 H THR A 49 -7.831 -12.688 2.924 1.00 0.00 H new ATOM 0 HA THR A 49 -8.703 -11.824 0.547 1.00 0.00 H new ATOM 0 HB THR A 49 -10.350 -13.824 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.668 -15.364 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.386 -15.015 -0.044 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.034 -13.364 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.388 -13.730 -0.765 1.00 0.00 H new ATOM 740 N THR A 50 -10.842 -10.955 2.837 1.00 0.00 N ATOM 741 CA THR A 50 -12.043 -10.176 3.107 1.00 0.00 C ATOM 742 C THR A 50 -11.714 -8.696 3.267 1.00 0.00 C ATOM 743 O THR A 50 -12.497 -7.830 2.877 1.00 0.00 O ATOM 744 CB THR A 50 -12.760 -10.671 4.378 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.191 -12.024 4.201 1.00 0.00 O ATOM 746 CG2 THR A 50 -13.958 -9.790 4.701 1.00 0.00 C ATOM 0 H THR A 50 -10.302 -11.199 3.667 1.00 0.00 H new ATOM 0 HA THR A 50 -12.704 -10.308 2.251 1.00 0.00 H new ATOM 0 HB THR A 50 -12.057 -10.620 5.209 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.644 -12.332 5.014 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.448 -10.159 5.602 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.623 -8.766 4.863 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.662 -9.814 3.869 1.00 0.00 H new ATOM 754 N ARG A 51 -10.550 -8.412 3.843 1.00 0.00 N ATOM 755 CA ARG A 51 -10.118 -7.036 4.055 1.00 0.00 C ATOM 756 C ARG A 51 -9.753 -6.371 2.731 1.00 0.00 C ATOM 757 O ARG A 51 -10.247 -5.290 2.410 1.00 0.00 O ATOM 758 CB ARG A 51 -8.920 -6.996 5.006 1.00 0.00 C ATOM 759 CG ARG A 51 -8.350 -5.601 5.209 1.00 0.00 C ATOM 760 CD ARG A 51 -7.473 -5.533 6.449 1.00 0.00 C ATOM 761 NE ARG A 51 -6.414 -6.538 6.426 1.00 0.00 N ATOM 762 CZ ARG A 51 -5.280 -6.426 7.109 1.00 0.00 C ATOM 763 NH1 ARG A 51 -5.060 -5.359 7.865 1.00 0.00 N ATOM 764 NH2 ARG A 51 -4.364 -7.383 7.038 1.00 0.00 N ATOM 0 H ARG A 51 -9.890 -9.117 4.171 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.946 -6.486 4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.220 -7.401 5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.136 -7.647 4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.767 -5.314 4.334 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.165 -4.883 5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.029 -4.540 6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.089 -5.676 7.337 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.552 -7.371 5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.762 -4.622 7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.188 -5.276 8.388 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.530 -8.206 6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.494 -7.296 7.563 1.00 0.00 H new ATOM 778 N VAL A 52 -8.884 -7.024 1.966 1.00 0.00 N ATOM 779 CA VAL A 52 -8.453 -6.497 0.677 1.00 0.00 C ATOM 780 C VAL A 52 -9.621 -5.880 -0.083 1.00 0.00 C ATOM 781 O VAL A 52 -9.507 -4.787 -0.638 1.00 0.00 O ATOM 782 CB VAL A 52 -7.812 -7.596 -0.192 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.817 -8.698 -0.487 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.265 -7.002 -1.482 1.00 0.00 C ATOM 0 H VAL A 52 -8.465 -7.919 2.217 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.710 -5.726 0.882 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.981 -8.034 0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.346 -9.465 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.156 -9.141 0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.670 -8.279 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.816 -7.792 -2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.077 -6.537 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.510 -6.252 -1.246 1.00 0.00 H new ATOM 794 N LYS A 53 -10.746 -6.587 -0.104 1.00 0.00 N ATOM 795 CA LYS A 53 -11.938 -6.109 -0.794 1.00 0.00 C ATOM 796 C LYS A 53 -12.311 -4.706 -0.328 1.00 0.00 C ATOM 797 O LYS A 53 -12.724 -3.866 -1.127 1.00 0.00 O ATOM 798 CB LYS A 53 -13.108 -7.066 -0.555 1.00 0.00 C ATOM 799 CG LYS A 53 -12.914 -8.434 -1.186 1.00 0.00 C ATOM 800 CD LYS A 53 -13.777 -9.487 -0.510 1.00 0.00 C ATOM 801 CE LYS A 53 -13.467 -10.881 -1.033 1.00 0.00 C ATOM 802 NZ LYS A 53 -14.287 -11.220 -2.229 1.00 0.00 N ATOM 0 H LYS A 53 -10.857 -7.494 0.349 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.719 -6.071 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.253 -7.188 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.019 -6.618 -0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.162 -8.385 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.865 -8.722 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.613 -9.457 0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.830 -9.260 -0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.409 -10.946 -1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.651 -11.613 -0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.046 -12.178 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.296 -11.183 -1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.092 -10.537 -2.988 1.00 0.00 H new ATOM 816 N GLN A 54 -12.161 -4.459 0.970 1.00 0.00 N ATOM 817 CA GLN A 54 -12.482 -3.157 1.541 1.00 0.00 C ATOM 818 C GLN A 54 -11.527 -2.085 1.024 1.00 0.00 C ATOM 819 O GLN A 54 -11.957 -1.044 0.527 1.00 0.00 O ATOM 820 CB GLN A 54 -12.421 -3.217 3.068 1.00 0.00 C ATOM 821 CG GLN A 54 -13.458 -4.143 3.682 1.00 0.00 C ATOM 822 CD GLN A 54 -14.863 -3.580 3.602 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.058 -2.392 4.162 1.00 0.00 O flip ATOM 824 NE2 GLN A 54 -15.764 -4.206 3.042 1.00 0.00 N flip ATOM 0 H GLN A 54 -11.819 -5.143 1.645 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.495 -2.894 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.427 -3.546 3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.560 -2.213 3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.427 -5.106 3.172 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.203 -4.327 4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.570 -5.116 2.625 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.705 -3.814 2.995 1.00 0.00 H new ATOM 833 N ILE A 55 -10.230 -2.348 1.145 1.00 0.00 N ATOM 834 CA ILE A 55 -9.215 -1.406 0.690 1.00 0.00 C ATOM 835 C ILE A 55 -9.542 -0.876 -0.702 1.00 0.00 C ATOM 836 O ILE A 55 -9.221 0.265 -1.034 1.00 0.00 O ATOM 837 CB ILE A 55 -7.817 -2.053 0.665 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.428 -2.531 2.065 1.00 0.00 C ATOM 839 CG2 ILE A 55 -6.788 -1.069 0.129 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.254 -3.485 2.073 1.00 0.00 C ATOM 0 H ILE A 55 -9.858 -3.205 1.554 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.211 -0.579 1.400 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.844 -2.917 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.187 -1.665 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.287 -3.020 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.805 -1.540 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.061 -0.773 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.760 -0.187 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.034 -3.782 3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.499 -4.368 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.382 -2.992 1.643 1.00 0.00 H new ATOM 852 N ALA A 56 -10.185 -1.711 -1.511 1.00 0.00 N ATOM 853 CA ALA A 56 -10.560 -1.325 -2.866 1.00 0.00 C ATOM 854 C ALA A 56 -11.721 -0.336 -2.854 1.00 0.00 C ATOM 855 O ALA A 56 -11.590 0.796 -3.319 1.00 0.00 O ATOM 856 CB ALA A 56 -10.921 -2.556 -3.685 1.00 0.00 C ATOM 0 H ALA A 56 -10.457 -2.659 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.703 -0.834 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.199 -2.253 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.063 -3.227 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.760 -3.071 -3.217 1.00 0.00 H new ATOM 862 N LYS A 57 -12.857 -0.771 -2.320 1.00 0.00 N ATOM 863 CA LYS A 57 -14.042 0.075 -2.247 1.00 0.00 C ATOM 864 C LYS A 57 -13.721 1.402 -1.567 1.00 0.00 C ATOM 865 O LYS A 57 -14.055 2.471 -2.080 1.00 0.00 O ATOM 866 CB LYS A 57 -15.160 -0.642 -1.486 1.00 0.00 C ATOM 867 CG LYS A 57 -15.070 -0.482 0.021 1.00 0.00 C ATOM 868 CD LYS A 57 -16.235 -1.158 0.724 1.00 0.00 C ATOM 869 CE LYS A 57 -17.431 -0.227 0.844 1.00 0.00 C ATOM 870 NZ LYS A 57 -18.635 -0.934 1.362 1.00 0.00 N ATOM 0 H LYS A 57 -12.982 -1.706 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.376 0.279 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.122 -0.260 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.133 -1.703 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.132 -0.908 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.056 0.578 0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.524 -2.053 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.924 -1.481 1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.182 0.600 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.655 0.204 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.428 -0.265 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.888 -1.708 0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.430 -1.324 2.304 1.00 0.00 H new ATOM 884 N LEU A 58 -13.070 1.328 -0.412 1.00 0.00 N ATOM 885 CA LEU A 58 -12.702 2.524 0.338 1.00 0.00 C ATOM 886 C LEU A 58 -11.821 3.444 -0.502 1.00 0.00 C ATOM 887 O LEU A 58 -11.890 4.667 -0.380 1.00 0.00 O ATOM 888 CB LEU A 58 -11.973 2.139 1.626 1.00 0.00 C ATOM 889 CG LEU A 58 -12.759 1.269 2.607 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.834 0.686 3.664 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.875 2.073 3.258 1.00 0.00 C ATOM 0 H LEU A 58 -12.786 0.452 0.026 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.617 3.059 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.057 1.613 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.677 3.054 2.139 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.208 0.445 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.412 0.070 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.071 0.074 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.355 1.495 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.424 1.437 3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.447 2.917 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.554 2.441 2.489 1.00 0.00 H new ATOM 903 N TRP A 59 -10.997 2.847 -1.355 1.00 0.00 N ATOM 904 CA TRP A 59 -10.104 3.613 -2.218 1.00 0.00 C ATOM 905 C TRP A 59 -10.879 4.278 -3.350 1.00 0.00 C ATOM 906 O TRP A 59 -10.562 5.395 -3.759 1.00 0.00 O ATOM 907 CB TRP A 59 -9.015 2.706 -2.793 1.00 0.00 C ATOM 908 CG TRP A 59 -8.187 3.370 -3.852 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.273 3.175 -5.201 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.147 4.332 -3.648 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.349 3.959 -5.848 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.647 4.679 -4.919 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.592 4.937 -2.518 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.618 5.602 -5.086 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.570 5.852 -2.686 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.092 6.178 -3.962 1.00 0.00 C ATOM 0 H TRP A 59 -10.928 1.836 -1.468 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.637 4.392 -1.616 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.362 2.377 -1.985 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.479 1.813 -3.212 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.965 2.504 -5.687 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.209 3.998 -6.858 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -6.955 4.694 -1.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.248 5.854 -6.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.132 6.324 -1.819 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.293 6.898 -4.060 1.00 0.00 H new ATOM 927 N ARG A 60 -11.896 3.585 -3.852 1.00 0.00 N ATOM 928 CA ARG A 60 -12.715 4.109 -4.938 1.00 0.00 C ATOM 929 C ARG A 60 -13.429 5.389 -4.511 1.00 0.00 C ATOM 930 O ARG A 60 -13.367 6.407 -5.201 1.00 0.00 O ATOM 931 CB ARG A 60 -13.741 3.064 -5.382 1.00 0.00 C ATOM 932 CG ARG A 60 -13.115 1.796 -5.939 1.00 0.00 C ATOM 933 CD ARG A 60 -11.938 2.109 -6.850 1.00 0.00 C ATOM 934 NE ARG A 60 -12.319 2.981 -7.957 1.00 0.00 N ATOM 935 CZ ARG A 60 -11.636 3.068 -9.093 1.00 0.00 C ATOM 936 NH1 ARG A 60 -10.543 2.338 -9.270 1.00 0.00 N ATOM 937 NH2 ARG A 60 -12.046 3.884 -10.055 1.00 0.00 N ATOM 0 H ARG A 60 -12.172 2.660 -3.524 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.058 4.342 -5.776 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.374 2.804 -4.533 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.389 3.503 -6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.782 1.162 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.865 1.232 -6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.147 2.584 -6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.528 1.179 -7.245 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.156 3.555 -7.852 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.225 1.708 -8.533 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.020 2.406 -10.143 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.887 4.446 -9.923 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.520 3.950 -10.927 1.00 0.00 H new ATOM 951 N LYS A 61 -14.108 5.329 -3.371 1.00 0.00 N ATOM 952 CA LYS A 61 -14.834 6.482 -2.851 1.00 0.00 C ATOM 953 C LYS A 61 -14.022 7.761 -3.028 1.00 0.00 C ATOM 954 O LYS A 61 -14.537 8.773 -3.502 1.00 0.00 O ATOM 955 CB LYS A 61 -15.165 6.277 -1.371 1.00 0.00 C ATOM 956 CG LYS A 61 -16.422 7.002 -0.923 1.00 0.00 C ATOM 957 CD LYS A 61 -16.927 6.472 0.409 1.00 0.00 C ATOM 958 CE LYS A 61 -16.146 7.058 1.575 1.00 0.00 C ATOM 959 NZ LYS A 61 -16.625 8.422 1.934 1.00 0.00 N ATOM 0 H LYS A 61 -14.171 4.494 -2.789 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.762 6.580 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.282 5.211 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.324 6.619 -0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.216 8.069 -0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.198 6.887 -1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.984 6.713 0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -16.844 5.385 0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.238 6.401 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.088 7.101 1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.068 8.787 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.514 9.055 1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.628 8.378 2.204 1.00 0.00 H new ATOM 973 N ALA A 62 -12.751 7.708 -2.645 1.00 0.00 N ATOM 974 CA ALA A 62 -11.867 8.861 -2.765 1.00 0.00 C ATOM 975 C ALA A 62 -11.720 9.290 -4.221 1.00 0.00 C ATOM 976 O ALA A 62 -11.432 8.471 -5.093 1.00 0.00 O ATOM 977 CB ALA A 62 -10.505 8.547 -2.165 1.00 0.00 C ATOM 0 H ALA A 62 -12.310 6.878 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.312 9.688 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.855 9.417 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.621 8.296 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.061 7.702 -2.692 1.00 0.00 H new ATOM 983 N SER A 63 -11.919 10.579 -4.476 1.00 0.00 N ATOM 984 CA SER A 63 -11.813 11.116 -5.828 1.00 0.00 C ATOM 985 C SER A 63 -10.352 11.310 -6.222 1.00 0.00 C ATOM 986 O SER A 63 -9.474 11.409 -5.364 1.00 0.00 O ATOM 987 CB SER A 63 -12.562 12.447 -5.931 1.00 0.00 C ATOM 988 OG SER A 63 -13.947 12.237 -6.141 1.00 0.00 O ATOM 0 H SER A 63 -12.154 11.271 -3.765 1.00 0.00 H new ATOM 0 HA SER A 63 -12.264 10.399 -6.514 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.413 13.024 -5.018 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.152 13.036 -6.751 1.00 0.00 H new ATOM 0 HG SER A 63 -14.404 13.102 -6.202 1.00 0.00 H new ATOM 994 N SER A 64 -10.099 11.363 -7.526 1.00 0.00 N ATOM 995 CA SER A 64 -8.744 11.541 -8.035 1.00 0.00 C ATOM 996 C SER A 64 -7.997 12.601 -7.232 1.00 0.00 C ATOM 997 O SER A 64 -6.895 12.358 -6.740 1.00 0.00 O ATOM 998 CB SER A 64 -8.780 11.936 -9.513 1.00 0.00 C ATOM 999 OG SER A 64 -9.746 11.178 -10.220 1.00 0.00 O ATOM 0 H SER A 64 -10.814 11.285 -8.249 1.00 0.00 H new ATOM 0 HA SER A 64 -8.216 10.593 -7.932 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.009 12.998 -9.603 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.797 11.783 -9.958 1.00 0.00 H new ATOM 0 HG SER A 64 -9.751 11.450 -11.161 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.605 13.776 -7.103 1.00 0.00 N ATOM 1006 CA GLN A 65 -7.997 14.873 -6.360 1.00 0.00 C ATOM 1007 C GLN A 65 -7.613 14.430 -4.952 1.00 0.00 C ATOM 1008 O GLN A 65 -6.652 14.936 -4.373 1.00 0.00 O ATOM 1009 CB GLN A 65 -8.956 16.063 -6.290 1.00 0.00 C ATOM 1010 CG GLN A 65 -10.265 15.747 -5.586 1.00 0.00 C ATOM 1011 CD GLN A 65 -11.389 16.678 -5.998 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -11.926 17.423 -5.178 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -11.750 16.641 -7.276 1.00 0.00 N ATOM 0 H GLN A 65 -9.518 13.992 -7.503 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.091 15.176 -6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.464 16.886 -5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.171 16.406 -7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.552 14.718 -5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.119 15.815 -4.508 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.278 16.008 -7.921 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.500 17.246 -7.612 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.370 13.483 -4.408 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.109 12.974 -3.067 1.00 0.00 C ATOM 1024 C GLU A 66 -6.951 11.980 -3.078 1.00 0.00 C ATOM 1025 O GLU A 66 -6.151 11.933 -2.143 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.363 12.306 -2.498 1.00 0.00 C ATOM 1027 CG GLU A 66 -9.204 11.840 -1.060 1.00 0.00 C ATOM 1028 CD GLU A 66 -8.862 12.973 -0.113 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -7.678 13.366 -0.063 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -9.778 13.467 0.578 1.00 0.00 O ATOM 0 H GLU A 66 -9.168 13.053 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.835 13.817 -2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.195 13.007 -2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.624 11.451 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.128 11.364 -0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.421 11.083 -1.012 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.869 11.188 -4.142 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.810 10.194 -4.275 1.00 0.00 C ATOM 1039 C ARG A 67 -4.511 10.843 -4.745 1.00 0.00 C ATOM 1040 O ARG A 67 -3.436 10.257 -4.626 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.230 9.099 -5.257 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.678 8.664 -5.102 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.207 8.023 -6.375 1.00 0.00 C ATOM 1044 NE ARG A 67 -9.499 7.374 -6.165 1.00 0.00 N ATOM 1045 CZ ARG A 67 -10.200 6.802 -7.138 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -9.737 6.798 -8.380 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -11.368 6.231 -6.868 1.00 0.00 N ATOM 0 H ARG A 67 -7.523 11.215 -4.924 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.639 9.748 -3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.074 9.456 -6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.583 8.233 -5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.760 7.957 -4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.293 9.527 -4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.305 8.783 -7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.487 7.289 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.884 7.359 -5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.840 7.235 -8.591 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.278 6.358 -9.124 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.727 6.231 -5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.906 5.792 -7.615 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.620 12.055 -5.278 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.455 12.783 -5.764 1.00 0.00 C ATOM 1063 C ALA A 68 -2.234 12.509 -4.894 1.00 0.00 C ATOM 1064 O ALA A 68 -1.198 12.040 -5.366 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.747 14.276 -5.811 1.00 0.00 C ATOM 0 H ALA A 68 -5.503 12.554 -5.384 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.235 12.435 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.868 14.807 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.587 14.462 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.995 14.630 -4.810 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.355 12.807 -3.592 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.270 12.600 -2.628 1.00 0.00 C ATOM 1073 C PRO A 69 -1.002 11.122 -2.365 1.00 0.00 C ATOM 1074 O PRO A 69 0.137 10.663 -2.453 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.787 13.284 -1.360 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.271 13.250 -1.489 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.561 13.368 -2.960 1.00 0.00 C ATOM 0 HA PRO A 69 -0.322 13.000 -2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.455 12.759 -0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.420 14.307 -1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.677 12.323 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.730 14.068 -0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.456 12.812 -3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.724 14.404 -3.255 1.00 0.00 H new ATOM 1085 N TYR A 70 -2.057 10.383 -2.043 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.935 8.956 -1.765 1.00 0.00 C ATOM 1087 C TYR A 70 -1.366 8.214 -2.970 1.00 0.00 C ATOM 1088 O TYR A 70 -0.894 7.083 -2.851 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.297 8.370 -1.388 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.936 9.045 -0.195 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.428 8.864 1.085 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -5.050 9.861 -0.348 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -4.009 9.478 2.178 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.637 10.480 0.738 1.00 0.00 C ATOM 1095 CZ TYR A 70 -5.113 10.285 1.999 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.696 10.898 3.085 1.00 0.00 O ATOM 0 H TYR A 70 -3.007 10.748 -1.968 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.249 8.832 -0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.968 8.451 -2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.180 7.308 -1.174 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.564 8.232 1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.464 10.014 -1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.601 9.327 3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.501 11.113 0.601 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.462 11.432 2.787 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.412 8.859 -4.131 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.900 8.263 -5.359 1.00 0.00 C ATOM 1108 C VAL A 71 0.596 8.513 -5.509 1.00 0.00 C ATOM 1109 O VAL A 71 1.344 7.629 -5.926 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.629 8.815 -6.598 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.021 8.248 -7.872 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.116 8.505 -6.523 1.00 0.00 C ATOM 0 H VAL A 71 -1.799 9.796 -4.247 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.081 7.190 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.508 9.898 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.549 8.649 -8.737 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.031 8.526 -7.928 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.109 7.162 -7.865 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.616 8.902 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.261 7.426 -6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.539 8.965 -5.630 1.00 0.00 H new ATOM 1122 N GLN A 72 1.026 9.723 -5.164 1.00 0.00 N ATOM 1123 CA GLN A 72 2.434 10.089 -5.261 1.00 0.00 C ATOM 1124 C GLN A 72 3.234 9.485 -4.112 1.00 0.00 C ATOM 1125 O GLN A 72 4.289 8.886 -4.324 1.00 0.00 O ATOM 1126 CB GLN A 72 2.587 11.611 -5.260 1.00 0.00 C ATOM 1127 CG GLN A 72 4.003 12.079 -4.965 1.00 0.00 C ATOM 1128 CD GLN A 72 4.979 11.718 -6.068 1.00 0.00 C ATOM 1129 OE1 GLN A 72 4.876 12.212 -7.191 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.934 10.851 -5.753 1.00 0.00 N ATOM 0 H GLN A 72 0.420 10.466 -4.815 1.00 0.00 H new ATOM 0 HA GLN A 72 2.823 9.692 -6.198 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.279 12.000 -6.231 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.911 12.036 -4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.003 13.160 -4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.340 11.636 -4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.982 10.466 -4.810 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.619 10.570 -6.454 1.00 0.00 H new ATOM 1139 N LYS A 73 2.726 9.645 -2.895 1.00 0.00 N ATOM 1140 CA LYS A 73 3.392 9.115 -1.711 1.00 0.00 C ATOM 1141 C LYS A 73 3.763 7.649 -1.907 1.00 0.00 C ATOM 1142 O LYS A 73 4.877 7.233 -1.588 1.00 0.00 O ATOM 1143 CB LYS A 73 2.490 9.264 -0.484 1.00 0.00 C ATOM 1144 CG LYS A 73 3.211 9.029 0.832 1.00 0.00 C ATOM 1145 CD LYS A 73 2.408 9.557 2.010 1.00 0.00 C ATOM 1146 CE LYS A 73 3.095 9.254 3.333 1.00 0.00 C ATOM 1147 NZ LYS A 73 4.129 10.272 3.666 1.00 0.00 N ATOM 0 H LYS A 73 1.854 10.138 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 73 4.307 9.686 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.060 10.265 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.661 8.561 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.392 7.962 0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.185 9.517 0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.274 10.634 1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.414 9.110 2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.351 9.218 4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.558 8.268 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.574 10.030 4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.853 10.289 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.683 11.209 3.737 1.00 0.00 H new ATOM 1161 N ALA A 74 2.825 6.870 -2.436 1.00 0.00 N ATOM 1162 CA ALA A 74 3.055 5.452 -2.677 1.00 0.00 C ATOM 1163 C ALA A 74 4.322 5.233 -3.497 1.00 0.00 C ATOM 1164 O ALA A 74 5.154 4.390 -3.159 1.00 0.00 O ATOM 1165 CB ALA A 74 1.856 4.834 -3.381 1.00 0.00 C ATOM 0 H ALA A 74 1.898 7.198 -2.706 1.00 0.00 H new ATOM 0 HA ALA A 74 3.188 4.962 -1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.042 3.774 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.969 4.949 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.696 5.335 -4.336 1.00 0.00 H new ATOM 1171 N ARG A 75 4.463 5.997 -4.575 1.00 0.00 N ATOM 1172 CA ARG A 75 5.628 5.885 -5.444 1.00 0.00 C ATOM 1173 C ARG A 75 6.902 6.272 -4.698 1.00 0.00 C ATOM 1174 O ARG A 75 7.889 5.537 -4.713 1.00 0.00 O ATOM 1175 CB ARG A 75 5.458 6.773 -6.678 1.00 0.00 C ATOM 1176 CG ARG A 75 4.276 6.383 -7.551 1.00 0.00 C ATOM 1177 CD ARG A 75 3.707 7.586 -8.287 1.00 0.00 C ATOM 1178 NE ARG A 75 2.662 7.204 -9.234 1.00 0.00 N ATOM 1179 CZ ARG A 75 2.910 6.701 -10.438 1.00 0.00 C ATOM 1180 NH1 ARG A 75 4.161 6.521 -10.840 1.00 0.00 N ATOM 1181 NH2 ARG A 75 1.906 6.378 -11.243 1.00 0.00 N ATOM 0 H ARG A 75 3.785 6.700 -4.868 1.00 0.00 H new ATOM 0 HA ARG A 75 5.714 4.846 -5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.336 7.807 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.369 6.730 -7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.588 5.628 -8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.499 5.932 -6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.301 8.294 -7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.509 8.098 -8.819 1.00 0.00 H new ATOM 0 HE ARG A 75 1.689 7.330 -8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.935 6.769 -10.224 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.349 6.135 -11.765 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.943 6.516 -10.937 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.097 5.992 -12.167 1.00 0.00 H new ATOM 1195 N ASP A 76 6.872 7.429 -4.047 1.00 0.00 N ATOM 1196 CA ASP A 76 8.023 7.914 -3.294 1.00 0.00 C ATOM 1197 C ASP A 76 8.442 6.902 -2.232 1.00 0.00 C ATOM 1198 O ASP A 76 9.631 6.688 -2.000 1.00 0.00 O ATOM 1199 CB ASP A 76 7.702 9.258 -2.639 1.00 0.00 C ATOM 1200 CG ASP A 76 8.946 10.080 -2.365 1.00 0.00 C ATOM 1201 OD1 ASP A 76 9.887 9.544 -1.743 1.00 0.00 O ATOM 1202 OD2 ASP A 76 8.978 11.260 -2.773 1.00 0.00 O ATOM 0 H ASP A 76 6.063 8.049 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 76 8.852 8.048 -3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.032 9.823 -3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.171 9.085 -1.703 1.00 0.00 H new ATOM 1207 N ASN A 77 7.457 6.285 -1.588 1.00 0.00 N ATOM 1208 CA ASN A 77 7.723 5.298 -0.549 1.00 0.00 C ATOM 1209 C ASN A 77 8.674 4.217 -1.056 1.00 0.00 C ATOM 1210 O ASN A 77 9.551 3.756 -0.326 1.00 0.00 O ATOM 1211 CB ASN A 77 6.416 4.661 -0.074 1.00 0.00 C ATOM 1212 CG ASN A 77 5.794 5.414 1.087 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.482 6.123 1.821 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.486 5.263 1.257 1.00 0.00 N ATOM 0 H ASN A 77 6.467 6.451 -1.768 1.00 0.00 H new ATOM 0 HA ASN A 77 8.196 5.809 0.290 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.709 4.628 -0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.605 3.630 0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.012 5.745 2.021 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.955 4.665 0.624 1.00 0.00 H new ATOM 1221 N ARG A 78 8.492 3.819 -2.311 1.00 0.00 N ATOM 1222 CA ARG A 78 9.332 2.792 -2.915 1.00 0.00 C ATOM 1223 C ARG A 78 10.796 3.225 -2.927 1.00 0.00 C ATOM 1224 O ARG A 78 11.694 2.418 -2.689 1.00 0.00 O ATOM 1225 CB ARG A 78 8.866 2.496 -4.342 1.00 0.00 C ATOM 1226 CG ARG A 78 7.589 1.674 -4.406 1.00 0.00 C ATOM 1227 CD ARG A 78 7.380 1.077 -5.789 1.00 0.00 C ATOM 1228 NE ARG A 78 5.992 0.677 -6.008 1.00 0.00 N ATOM 1229 CZ ARG A 78 5.459 0.504 -7.213 1.00 0.00 C ATOM 1230 NH1 ARG A 78 6.192 0.695 -8.300 1.00 0.00 N ATOM 1231 NH2 ARG A 78 4.189 0.138 -7.330 1.00 0.00 N ATOM 0 H ARG A 78 7.771 4.192 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 78 9.243 1.886 -2.315 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.709 3.438 -4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.657 1.965 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.632 0.875 -3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.737 2.303 -4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.671 1.805 -6.546 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.031 0.211 -5.912 1.00 0.00 H new ATOM 0 HE ARG A 78 5.400 0.522 -5.192 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.169 0.976 -8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.780 0.561 -9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.622 -0.010 -6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.780 0.005 -8.255 1.00 0.00 H new ATOM 1245 N ALA A 79 11.027 4.504 -3.207 1.00 0.00 N ATOM 1246 CA ALA A 79 12.380 5.044 -3.249 1.00 0.00 C ATOM 1247 C ALA A 79 13.055 4.939 -1.885 1.00 0.00 C ATOM 1248 O ALA A 79 14.187 4.469 -1.777 1.00 0.00 O ATOM 1249 CB ALA A 79 12.357 6.490 -3.719 1.00 0.00 C ATOM 0 H ALA A 79 10.295 5.185 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 79 12.959 4.453 -3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.374 6.880 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 79 11.923 6.541 -4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.757 7.087 -3.031 1.00 0.00 H new ATOM 1255 N ALA A 80 12.353 5.382 -0.847 1.00 0.00 N ATOM 1256 CA ALA A 80 12.884 5.337 0.509 1.00 0.00 C ATOM 1257 C ALA A 80 13.648 4.041 0.757 1.00 0.00 C ATOM 1258 O ALA A 80 14.802 4.061 1.187 1.00 0.00 O ATOM 1259 CB ALA A 80 11.759 5.491 1.522 1.00 0.00 C ATOM 0 H ALA A 80 11.415 5.776 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 80 13.581 6.167 0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.170 5.455 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.259 6.447 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.041 4.681 1.394 1.00 0.00 H new