USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 541 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 66 CYS SG : rot 180:sc= -0.504 USER MOD Set 1.2: A 67 SER OG : rot 180:sc=0.000428 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 63 ASN : amide:sc= 0.745 K(o=0.74,f=0) USER MOD Set 3.1: A 37 THR OG1 : rot 83:sc= 0.894 USER MOD Set 3.2: A 40 GLN :FLIP amide:sc= -1.01 F(o=-1.9!,f=-0.34) USER MOD Set 3.3: A 57 ASN : amide:sc= -0.218 K(o=-0.34,f=-2.4!) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc=-0.00183 X(o=-0.0018,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.46) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -57:sc= 1.37 USER MOD Single : A 32 LYS NZ :NH3+ 150:sc= 1.1 (180deg=0.465) USER MOD Single : A 33 ASN : amide:sc= 0.224 K(o=0.22,f=-4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0308) USER MOD Single : A 42 ASN : amide:sc= 0.447 X(o=0.45,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0385 X(o=-0.039,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -23:sc= 0.0789 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= -0.669 (180deg=-1.57!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.091) USER MOD Single : A 73 TYR OH : rot 165:sc= 1.05 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 78:sc= 0.576 USER MOD Single : A 79 HIS : no HD1:sc= 0 K(o=0,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 194 N MET A 13 10.616 -1.407 -21.924 1.00 0.00 N ATOM 195 CA MET A 13 10.589 -1.351 -23.391 1.00 0.00 C ATOM 196 C MET A 13 11.626 -2.316 -23.979 1.00 0.00 C ATOM 197 O MET A 13 12.531 -2.789 -23.280 1.00 0.00 O ATOM 198 CB MET A 13 10.893 0.086 -23.895 1.00 0.00 C ATOM 199 CG MET A 13 12.223 0.691 -23.391 1.00 0.00 C ATOM 200 SD MET A 13 13.053 1.735 -24.615 1.00 0.00 S ATOM 201 CE MET A 13 13.723 0.509 -25.747 1.00 0.00 C ATOM 0 HA MET A 13 9.590 -1.641 -23.718 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.906 0.077 -24.985 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.076 0.741 -23.592 1.00 0.00 H new ATOM 0 HG2 MET A 13 12.028 1.280 -22.495 1.00 0.00 H new ATOM 0 HG3 MET A 13 12.894 -0.118 -23.101 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.260 1.012 -26.551 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.407 -0.148 -25.209 1.00 0.00 H new ATOM 0 HE3 MET A 13 12.909 -0.081 -26.168 1.00 0.00 H new ATOM 211 N GLY A 14 11.453 -2.591 -25.274 1.00 0.00 N ATOM 212 CA GLY A 14 12.462 -3.235 -26.089 1.00 0.00 C ATOM 213 C GLY A 14 12.585 -4.738 -25.925 1.00 0.00 C ATOM 214 O GLY A 14 13.595 -5.323 -26.328 1.00 0.00 O ATOM 0 H GLY A 14 10.597 -2.367 -25.782 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.248 -3.019 -27.136 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.428 -2.784 -25.862 1.00 0.00 H new ATOM 218 N CYS A 15 11.572 -5.378 -25.346 1.00 0.00 N ATOM 219 CA CYS A 15 11.577 -6.830 -25.153 1.00 0.00 C ATOM 220 C CYS A 15 10.946 -7.515 -26.378 1.00 0.00 C ATOM 221 O CYS A 15 9.754 -7.840 -26.387 1.00 0.00 O ATOM 222 CB CYS A 15 10.850 -7.167 -23.843 1.00 0.00 C ATOM 223 SG CYS A 15 11.612 -6.396 -22.389 1.00 0.00 S ATOM 0 H CYS A 15 10.732 -4.913 -25.000 1.00 0.00 H new ATOM 0 HA CYS A 15 12.597 -7.206 -25.067 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.812 -6.843 -23.917 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.838 -8.249 -23.709 1.00 0.00 H new ATOM 0 HG CYS A 15 10.943 -6.724 -21.323 1.00 0.00 H new ATOM 229 N TRP A 16 11.758 -7.651 -27.442 1.00 0.00 N ATOM 230 CA TRP A 16 11.360 -8.296 -28.705 1.00 0.00 C ATOM 231 C TRP A 16 11.904 -9.741 -28.743 1.00 0.00 C ATOM 232 O TRP A 16 12.660 -10.156 -27.851 1.00 0.00 O ATOM 233 CB TRP A 16 11.915 -7.498 -29.925 1.00 0.00 C ATOM 234 CG TRP A 16 11.768 -5.989 -29.827 1.00 0.00 C ATOM 235 CD1 TRP A 16 10.619 -5.249 -29.940 1.00 0.00 C ATOM 236 CD2 TRP A 16 12.823 -5.040 -29.595 1.00 0.00 C ATOM 237 NE1 TRP A 16 10.902 -3.911 -29.798 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.248 -3.761 -29.581 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.201 -5.158 -29.405 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.012 -2.604 -29.381 1.00 0.00 C ATOM 241 CZ3 TRP A 16 14.947 -4.013 -29.197 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.353 -2.755 -29.186 1.00 0.00 C ATOM 0 H TRP A 16 12.720 -7.312 -27.448 1.00 0.00 H new ATOM 0 HA TRP A 16 10.272 -8.311 -28.761 1.00 0.00 H new ATOM 0 HB2 TRP A 16 12.971 -7.738 -30.046 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.405 -7.840 -30.826 1.00 0.00 H new ATOM 0 HD1 TRP A 16 9.635 -5.658 -30.115 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.221 -3.153 -29.846 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.676 -6.128 -29.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.554 -1.626 -29.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.012 -4.097 -29.040 1.00 0.00 H new ATOM 0 HH2 TRP A 16 14.966 -1.881 -29.020 1.00 0.00 H new ATOM 253 N SER A 17 11.511 -10.502 -29.779 1.00 0.00 N ATOM 254 CA SER A 17 12.130 -11.801 -30.096 1.00 0.00 C ATOM 255 C SER A 17 13.419 -11.566 -30.913 1.00 0.00 C ATOM 256 O SER A 17 13.582 -10.500 -31.528 1.00 0.00 O ATOM 257 CB SER A 17 11.127 -12.684 -30.875 1.00 0.00 C ATOM 258 OG SER A 17 9.948 -12.915 -30.112 1.00 0.00 O ATOM 0 H SER A 17 10.760 -10.236 -30.417 1.00 0.00 H new ATOM 0 HA SER A 17 12.393 -12.322 -29.176 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.866 -12.200 -31.816 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.594 -13.636 -31.125 1.00 0.00 H new ATOM 0 HG SER A 17 9.329 -13.474 -30.627 1.00 0.00 H new ATOM 264 N ILE A 18 14.316 -12.571 -30.925 1.00 0.00 N ATOM 265 CA ILE A 18 15.630 -12.474 -31.603 1.00 0.00 C ATOM 266 C ILE A 18 15.459 -12.225 -33.115 1.00 0.00 C ATOM 267 O ILE A 18 16.100 -11.337 -33.680 1.00 0.00 O ATOM 268 CB ILE A 18 16.497 -13.774 -31.400 1.00 0.00 C ATOM 269 CG1 ILE A 18 16.767 -14.053 -29.881 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.816 -13.714 -32.226 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.495 -12.951 -29.136 1.00 0.00 C ATOM 0 H ILE A 18 14.155 -13.469 -30.469 1.00 0.00 H new ATOM 0 HA ILE A 18 16.148 -11.630 -31.147 1.00 0.00 H new ATOM 0 HB ILE A 18 15.920 -14.617 -31.781 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.812 -14.233 -29.387 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.348 -14.971 -29.795 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.390 -14.626 -32.062 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.578 -13.620 -33.286 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.405 -12.853 -31.909 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.631 -13.244 -28.095 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.469 -12.783 -29.596 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.909 -12.033 -29.181 1.00 0.00 H new ATOM 283 N GLU A 19 14.581 -13.019 -33.747 1.00 0.00 N ATOM 284 CA GLU A 19 14.350 -12.946 -35.199 1.00 0.00 C ATOM 285 C GLU A 19 13.652 -11.636 -35.591 1.00 0.00 C ATOM 286 O GLU A 19 13.896 -11.103 -36.671 1.00 0.00 O ATOM 287 CB GLU A 19 13.592 -14.198 -35.695 1.00 0.00 C ATOM 288 CG GLU A 19 14.407 -15.498 -35.534 1.00 0.00 C ATOM 289 CD GLU A 19 13.708 -16.745 -36.102 1.00 0.00 C ATOM 290 OE1 GLU A 19 12.834 -17.314 -35.416 1.00 0.00 O ATOM 291 OE2 GLU A 19 14.040 -17.173 -37.230 1.00 0.00 O ATOM 0 H GLU A 19 14.016 -13.723 -33.272 1.00 0.00 H new ATOM 0 HA GLU A 19 15.317 -12.938 -35.702 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.656 -14.292 -35.144 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.332 -14.066 -36.745 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.370 -15.376 -36.030 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.612 -15.658 -34.475 1.00 0.00 H new ATOM 298 N HIS A 20 12.822 -11.095 -34.683 1.00 0.00 N ATOM 299 CA HIS A 20 12.183 -9.776 -34.875 1.00 0.00 C ATOM 300 C HIS A 20 13.263 -8.679 -34.959 1.00 0.00 C ATOM 301 O HIS A 20 13.228 -7.825 -35.849 1.00 0.00 O ATOM 302 CB HIS A 20 11.188 -9.494 -33.725 1.00 0.00 C ATOM 303 CG HIS A 20 10.373 -8.239 -33.908 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.229 -8.199 -34.675 1.00 0.00 N ATOM 305 CD2 HIS A 20 10.529 -6.988 -33.413 1.00 0.00 C ATOM 306 CE1 HIS A 20 8.719 -6.985 -34.642 1.00 0.00 C ATOM 307 NE2 HIS A 20 9.487 -6.230 -33.883 1.00 0.00 N ATOM 0 H HIS A 20 12.575 -11.551 -33.804 1.00 0.00 H new ATOM 0 HA HIS A 20 11.624 -9.778 -35.811 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.511 -10.343 -33.629 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.742 -9.421 -32.789 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.326 -6.650 -32.768 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.823 -6.663 -35.151 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.332 -5.243 -33.678 1.00 0.00 H new ATOM 316 N VAL A 21 14.235 -8.760 -34.041 1.00 0.00 N ATOM 317 CA VAL A 21 15.395 -7.863 -34.001 1.00 0.00 C ATOM 318 C VAL A 21 16.203 -7.954 -35.309 1.00 0.00 C ATOM 319 O VAL A 21 16.257 -6.985 -36.056 1.00 0.00 O ATOM 320 CB VAL A 21 16.293 -8.192 -32.748 1.00 0.00 C ATOM 321 CG1 VAL A 21 17.700 -7.548 -32.823 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.565 -7.779 -31.453 1.00 0.00 C ATOM 0 H VAL A 21 14.237 -9.458 -33.297 1.00 0.00 H new ATOM 0 HA VAL A 21 15.041 -6.837 -33.906 1.00 0.00 H new ATOM 0 HB VAL A 21 16.454 -9.270 -32.744 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.269 -7.812 -31.932 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.221 -7.914 -33.708 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.601 -6.464 -32.883 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.193 -8.010 -30.593 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.361 -6.709 -31.476 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.625 -8.326 -31.374 1.00 0.00 H new ATOM 332 N GLU A 22 16.747 -9.151 -35.603 1.00 0.00 N ATOM 333 CA GLU A 22 17.734 -9.344 -36.686 1.00 0.00 C ATOM 334 C GLU A 22 17.156 -9.039 -38.076 1.00 0.00 C ATOM 335 O GLU A 22 17.869 -8.524 -38.942 1.00 0.00 O ATOM 336 CB GLU A 22 18.323 -10.779 -36.652 1.00 0.00 C ATOM 337 CG GLU A 22 17.341 -11.911 -36.983 1.00 0.00 C ATOM 338 CD GLU A 22 17.983 -13.308 -36.933 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.611 -13.720 -37.935 1.00 0.00 O ATOM 340 OE2 GLU A 22 17.874 -14.001 -35.891 1.00 0.00 O ATOM 0 H GLU A 22 16.517 -10.008 -35.100 1.00 0.00 H new ATOM 0 HA GLU A 22 18.534 -8.627 -36.505 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.154 -10.827 -37.355 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.735 -10.959 -35.659 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.508 -11.876 -36.281 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.927 -11.744 -37.978 1.00 0.00 H new ATOM 347 N GLN A 23 15.866 -9.356 -38.281 1.00 0.00 N ATOM 348 CA GLN A 23 15.202 -9.157 -39.576 1.00 0.00 C ATOM 349 C GLN A 23 14.828 -7.686 -39.782 1.00 0.00 C ATOM 350 O GLN A 23 15.063 -7.123 -40.858 1.00 0.00 O ATOM 351 CB GLN A 23 13.959 -10.074 -39.705 1.00 0.00 C ATOM 352 CG GLN A 23 14.282 -11.588 -39.712 1.00 0.00 C ATOM 353 CD GLN A 23 15.326 -12.007 -40.760 1.00 0.00 C ATOM 354 OE1 GLN A 23 15.430 -11.414 -41.838 1.00 0.00 O ATOM 355 NE2 GLN A 23 16.100 -13.041 -40.457 1.00 0.00 N ATOM 0 H GLN A 23 15.262 -9.753 -37.561 1.00 0.00 H new ATOM 0 HA GLN A 23 15.905 -9.433 -40.362 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.279 -9.863 -38.879 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.431 -9.823 -40.625 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.641 -11.876 -38.724 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.361 -12.143 -39.891 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.993 -13.513 -39.559 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.802 -13.364 -41.122 1.00 0.00 H new ATOM 364 N TYR A 24 14.251 -7.066 -38.740 1.00 0.00 N ATOM 365 CA TYR A 24 13.751 -5.678 -38.820 1.00 0.00 C ATOM 366 C TYR A 24 14.885 -4.650 -38.563 1.00 0.00 C ATOM 367 O TYR A 24 14.665 -3.450 -38.734 1.00 0.00 O ATOM 368 CB TYR A 24 12.572 -5.466 -37.828 1.00 0.00 C ATOM 369 CG TYR A 24 11.274 -6.260 -38.099 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.289 -7.639 -38.340 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.021 -5.626 -38.093 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.130 -8.346 -38.567 1.00 0.00 C ATOM 373 CE2 TYR A 24 8.856 -6.335 -38.317 1.00 0.00 C ATOM 374 CZ TYR A 24 8.919 -7.695 -38.558 1.00 0.00 C ATOM 375 OH TYR A 24 7.763 -8.411 -38.782 1.00 0.00 O ATOM 0 H TYR A 24 14.118 -7.503 -37.828 1.00 0.00 H new ATOM 0 HA TYR A 24 13.384 -5.512 -39.833 1.00 0.00 H new ATOM 0 HB2 TYR A 24 12.922 -5.720 -36.827 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.324 -4.405 -37.819 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.234 -8.161 -38.348 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.967 -4.563 -37.910 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.172 -9.409 -38.752 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.902 -5.830 -38.304 1.00 0.00 H new ATOM 0 HH TYR A 24 6.992 -7.808 -38.742 1.00 0.00 H new ATOM 385 N LEU A 25 16.085 -5.114 -38.138 1.00 0.00 N ATOM 386 CA LEU A 25 17.268 -4.233 -37.969 1.00 0.00 C ATOM 387 C LEU A 25 17.685 -3.649 -39.326 1.00 0.00 C ATOM 388 O LEU A 25 18.010 -4.388 -40.254 1.00 0.00 O ATOM 389 CB LEU A 25 18.471 -4.976 -37.285 1.00 0.00 C ATOM 390 CG LEU A 25 18.597 -4.791 -35.735 1.00 0.00 C ATOM 391 CD1 LEU A 25 19.788 -5.590 -35.172 1.00 0.00 C ATOM 392 CD2 LEU A 25 18.700 -3.295 -35.363 1.00 0.00 C ATOM 0 H LEU A 25 16.260 -6.092 -37.906 1.00 0.00 H new ATOM 0 HA LEU A 25 16.983 -3.419 -37.302 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.384 -6.041 -37.498 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.396 -4.633 -37.749 1.00 0.00 H new ATOM 0 HG LEU A 25 17.691 -5.187 -35.277 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.849 -5.441 -34.094 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.648 -6.650 -35.385 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.711 -5.245 -35.639 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.786 -3.194 -34.281 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.579 -2.861 -35.839 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.807 -2.773 -35.706 1.00 0.00 H new ATOM 404 N GLY A 26 17.649 -2.315 -39.420 1.00 0.00 N ATOM 405 CA GLY A 26 17.960 -1.594 -40.653 1.00 0.00 C ATOM 406 C GLY A 26 16.756 -0.821 -41.165 1.00 0.00 C ATOM 407 O GLY A 26 16.911 0.134 -41.935 1.00 0.00 O ATOM 0 H GLY A 26 17.402 -1.706 -38.640 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.786 -0.906 -40.475 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.291 -2.300 -41.415 1.00 0.00 H new ATOM 411 N THR A 27 15.550 -1.240 -40.738 1.00 0.00 N ATOM 412 CA THR A 27 14.307 -0.491 -40.989 1.00 0.00 C ATOM 413 C THR A 27 14.141 0.590 -39.899 1.00 0.00 C ATOM 414 O THR A 27 15.023 0.768 -39.049 1.00 0.00 O ATOM 415 CB THR A 27 13.041 -1.429 -41.001 1.00 0.00 C ATOM 416 OG1 THR A 27 12.699 -1.847 -39.667 1.00 0.00 O ATOM 417 CG2 THR A 27 13.246 -2.680 -41.873 1.00 0.00 C ATOM 0 H THR A 27 15.411 -2.103 -40.212 1.00 0.00 H new ATOM 0 HA THR A 27 14.383 -0.033 -41.975 1.00 0.00 H new ATOM 0 HB THR A 27 12.230 -0.839 -41.428 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.468 -2.296 -39.258 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.345 -3.293 -41.847 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.450 -2.378 -42.900 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.088 -3.257 -41.490 1.00 0.00 H new ATOM 425 N ASP A 28 13.022 1.325 -39.936 1.00 0.00 N ATOM 426 CA ASP A 28 12.649 2.262 -38.855 1.00 0.00 C ATOM 427 C ASP A 28 11.655 1.578 -37.881 1.00 0.00 C ATOM 428 O ASP A 28 11.344 2.126 -36.820 1.00 0.00 O ATOM 429 CB ASP A 28 12.062 3.560 -39.472 1.00 0.00 C ATOM 430 CG ASP A 28 11.800 4.689 -38.451 1.00 0.00 C ATOM 431 OD1 ASP A 28 12.771 5.315 -37.964 1.00 0.00 O ATOM 432 OD2 ASP A 28 10.621 4.961 -38.132 1.00 0.00 O ATOM 0 H ASP A 28 12.353 1.292 -40.705 1.00 0.00 H new ATOM 0 HA ASP A 28 13.532 2.537 -38.279 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.748 3.928 -40.235 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.126 3.318 -39.976 1.00 0.00 H new ATOM 437 N GLU A 29 11.170 0.367 -38.248 1.00 0.00 N ATOM 438 CA GLU A 29 10.308 -0.456 -37.369 1.00 0.00 C ATOM 439 C GLU A 29 11.140 -0.970 -36.176 1.00 0.00 C ATOM 440 O GLU A 29 10.711 -0.892 -35.022 1.00 0.00 O ATOM 441 CB GLU A 29 9.691 -1.647 -38.150 1.00 0.00 C ATOM 442 CG GLU A 29 8.884 -1.249 -39.404 1.00 0.00 C ATOM 443 CD GLU A 29 7.741 -0.255 -39.115 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.725 -0.658 -38.509 1.00 0.00 O ATOM 445 OE2 GLU A 29 7.851 0.937 -39.499 1.00 0.00 O ATOM 0 H GLU A 29 11.364 -0.062 -39.153 1.00 0.00 H new ATOM 0 HA GLU A 29 9.488 0.161 -37.003 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.493 -2.321 -38.450 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.040 -2.206 -37.478 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.561 -0.808 -40.136 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.466 -2.148 -39.857 1.00 0.00 H new ATOM 452 N LEU A 30 12.344 -1.483 -36.490 1.00 0.00 N ATOM 453 CA LEU A 30 13.386 -1.797 -35.492 1.00 0.00 C ATOM 454 C LEU A 30 14.656 -1.044 -35.940 1.00 0.00 C ATOM 455 O LEU A 30 15.499 -1.620 -36.641 1.00 0.00 O ATOM 456 CB LEU A 30 13.633 -3.343 -35.398 1.00 0.00 C ATOM 457 CG LEU A 30 14.102 -3.947 -34.033 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.398 -3.310 -33.490 1.00 0.00 C ATOM 459 CD2 LEU A 30 12.970 -3.869 -33.005 1.00 0.00 C ATOM 0 H LEU A 30 12.624 -1.693 -37.448 1.00 0.00 H new ATOM 0 HA LEU A 30 13.083 -1.483 -34.493 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.707 -3.844 -35.680 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.378 -3.605 -36.149 1.00 0.00 H new ATOM 0 HG LEU A 30 14.347 -4.993 -34.219 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.663 -3.777 -32.542 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.205 -3.460 -34.207 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.242 -2.242 -33.337 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.308 -4.292 -32.059 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.685 -2.827 -32.856 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.110 -4.432 -33.368 1.00 0.00 H new ATOM 471 N PRO A 31 14.789 0.275 -35.603 1.00 0.00 N ATOM 472 CA PRO A 31 15.971 1.050 -35.987 1.00 0.00 C ATOM 473 C PRO A 31 17.189 0.632 -35.153 1.00 0.00 C ATOM 474 O PRO A 31 17.048 0.223 -33.986 1.00 0.00 O ATOM 475 CB PRO A 31 15.549 2.518 -35.743 1.00 0.00 C ATOM 476 CG PRO A 31 14.515 2.444 -34.663 1.00 0.00 C ATOM 477 CD PRO A 31 13.821 1.102 -34.823 1.00 0.00 C ATOM 0 HA PRO A 31 16.278 0.892 -37.021 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.399 3.128 -35.436 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.143 2.969 -36.649 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.975 2.528 -33.679 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.801 3.263 -34.752 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.601 0.650 -33.856 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.872 1.205 -35.349 1.00 0.00 H new ATOM 485 N LYS A 32 18.375 0.725 -35.774 1.00 0.00 N ATOM 486 CA LYS A 32 19.650 0.374 -35.140 1.00 0.00 C ATOM 487 C LYS A 32 19.846 1.172 -33.844 1.00 0.00 C ATOM 488 O LYS A 32 20.257 0.616 -32.820 1.00 0.00 O ATOM 489 CB LYS A 32 20.825 0.605 -36.129 1.00 0.00 C ATOM 490 CG LYS A 32 20.841 -0.365 -37.337 1.00 0.00 C ATOM 491 CD LYS A 32 22.082 -0.178 -38.243 1.00 0.00 C ATOM 492 CE LYS A 32 22.150 1.214 -38.905 1.00 0.00 C ATOM 493 NZ LYS A 32 23.339 1.362 -39.783 1.00 0.00 N ATOM 0 H LYS A 32 18.474 1.048 -36.736 1.00 0.00 H new ATOM 0 HA LYS A 32 19.633 -0.684 -34.878 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.776 1.629 -36.500 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.766 0.507 -35.587 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.815 -1.392 -36.972 1.00 0.00 H new ATOM 0 HG3 LYS A 32 19.939 -0.214 -37.930 1.00 0.00 H new ATOM 0 HD2 LYS A 32 22.983 -0.335 -37.650 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.074 -0.942 -39.020 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.246 1.380 -39.490 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.174 1.981 -38.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.119 2.022 -40.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.136 1.733 -39.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.595 0.435 -40.180 1.00 0.00 H new ATOM 507 N ASN A 33 19.460 2.459 -33.900 1.00 0.00 N ATOM 508 CA ASN A 33 19.558 3.383 -32.764 1.00 0.00 C ATOM 509 C ASN A 33 18.783 2.841 -31.540 1.00 0.00 C ATOM 510 O ASN A 33 19.292 2.883 -30.429 1.00 0.00 O ATOM 511 CB ASN A 33 19.013 4.787 -33.146 1.00 0.00 C ATOM 512 CG ASN A 33 19.399 5.883 -32.135 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.352 6.640 -32.353 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.693 5.956 -31.014 1.00 0.00 N ATOM 0 H ASN A 33 19.070 2.886 -34.740 1.00 0.00 H new ATOM 0 HA ASN A 33 20.612 3.471 -32.502 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.391 5.061 -34.131 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.927 4.739 -33.223 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.932 6.650 -30.305 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.912 5.318 -30.861 1.00 0.00 H new ATOM 521 N ASP A 34 17.556 2.303 -31.764 1.00 0.00 N ATOM 522 CA ASP A 34 16.659 1.884 -30.656 1.00 0.00 C ATOM 523 C ASP A 34 17.071 0.519 -30.063 1.00 0.00 C ATOM 524 O ASP A 34 16.774 0.232 -28.894 1.00 0.00 O ATOM 525 CB ASP A 34 15.174 1.869 -31.101 1.00 0.00 C ATOM 526 CG ASP A 34 14.187 1.677 -29.926 1.00 0.00 C ATOM 527 OD1 ASP A 34 14.023 2.615 -29.115 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.572 0.595 -29.814 1.00 0.00 O ATOM 0 H ASP A 34 17.168 2.150 -32.695 1.00 0.00 H new ATOM 0 HA ASP A 34 16.765 2.628 -29.867 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.945 2.805 -31.610 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.027 1.068 -31.825 1.00 0.00 H new ATOM 533 N LEU A 35 17.763 -0.309 -30.858 1.00 0.00 N ATOM 534 CA LEU A 35 18.345 -1.579 -30.368 1.00 0.00 C ATOM 535 C LEU A 35 19.486 -1.253 -29.378 1.00 0.00 C ATOM 536 O LEU A 35 19.523 -1.767 -28.249 1.00 0.00 O ATOM 537 CB LEU A 35 18.840 -2.428 -31.582 1.00 0.00 C ATOM 538 CG LEU A 35 19.143 -3.955 -31.351 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.399 -4.216 -30.503 1.00 0.00 C ATOM 540 CD2 LEU A 35 17.932 -4.669 -30.743 1.00 0.00 C ATOM 0 H LEU A 35 17.937 -0.127 -31.846 1.00 0.00 H new ATOM 0 HA LEU A 35 17.598 -2.172 -29.840 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.089 -2.353 -32.368 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.749 -1.963 -31.964 1.00 0.00 H new ATOM 0 HG LEU A 35 19.348 -4.367 -32.339 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.543 -5.290 -30.387 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.269 -3.785 -30.999 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.277 -3.758 -29.521 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.168 -5.723 -30.594 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.684 -4.213 -29.784 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.081 -4.580 -31.418 1.00 0.00 H new ATOM 552 N ILE A 36 20.398 -0.378 -29.829 1.00 0.00 N ATOM 553 CA ILE A 36 21.530 0.125 -29.017 1.00 0.00 C ATOM 554 C ILE A 36 21.004 0.841 -27.752 1.00 0.00 C ATOM 555 O ILE A 36 21.563 0.679 -26.664 1.00 0.00 O ATOM 556 CB ILE A 36 22.422 1.110 -29.865 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.926 0.414 -31.172 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.624 1.655 -29.043 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.460 1.357 -32.240 1.00 0.00 C ATOM 0 H ILE A 36 20.375 0.007 -30.773 1.00 0.00 H new ATOM 0 HA ILE A 36 22.141 -0.725 -28.713 1.00 0.00 H new ATOM 0 HB ILE A 36 21.796 1.960 -30.138 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.712 -0.294 -30.908 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.106 -0.164 -31.597 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.213 2.330 -29.664 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.254 2.194 -28.171 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.249 0.823 -28.717 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.784 0.780 -33.106 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.674 2.050 -32.540 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.305 1.918 -31.841 1.00 0.00 H new ATOM 571 N THR A 37 19.896 1.591 -27.937 1.00 0.00 N ATOM 572 CA THR A 37 19.173 2.288 -26.857 1.00 0.00 C ATOM 573 C THR A 37 18.698 1.288 -25.787 1.00 0.00 C ATOM 574 O THR A 37 18.925 1.518 -24.598 1.00 0.00 O ATOM 575 CB THR A 37 17.976 3.124 -27.428 1.00 0.00 C ATOM 576 OG1 THR A 37 18.493 4.270 -28.124 1.00 0.00 O ATOM 577 CG2 THR A 37 16.959 3.587 -26.370 1.00 0.00 C ATOM 0 H THR A 37 19.474 1.730 -28.855 1.00 0.00 H new ATOM 0 HA THR A 37 19.862 2.986 -26.381 1.00 0.00 H new ATOM 0 HB THR A 37 17.431 2.458 -28.097 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.753 4.011 -29.033 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.166 4.158 -26.853 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.529 2.717 -25.873 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.461 4.215 -25.633 1.00 0.00 H new ATOM 585 N TYR A 38 18.090 0.158 -26.226 1.00 0.00 N ATOM 586 CA TYR A 38 17.664 -0.923 -25.313 1.00 0.00 C ATOM 587 C TYR A 38 18.855 -1.404 -24.469 1.00 0.00 C ATOM 588 O TYR A 38 18.746 -1.538 -23.252 1.00 0.00 O ATOM 589 CB TYR A 38 17.053 -2.126 -26.091 1.00 0.00 C ATOM 590 CG TYR A 38 16.750 -3.350 -25.197 1.00 0.00 C ATOM 591 CD1 TYR A 38 15.536 -3.476 -24.534 1.00 0.00 C ATOM 592 CD2 TYR A 38 17.696 -4.363 -24.992 1.00 0.00 C ATOM 593 CE1 TYR A 38 15.272 -4.564 -23.705 1.00 0.00 C ATOM 594 CE2 TYR A 38 17.440 -5.438 -24.166 1.00 0.00 C ATOM 595 CZ TYR A 38 16.231 -5.538 -23.525 1.00 0.00 C ATOM 596 OH TYR A 38 15.980 -6.611 -22.693 1.00 0.00 O ATOM 0 H TYR A 38 17.885 -0.025 -27.208 1.00 0.00 H new ATOM 0 HA TYR A 38 16.892 -0.516 -24.659 1.00 0.00 H new ATOM 0 HB2 TYR A 38 16.132 -1.804 -26.577 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.742 -2.425 -26.881 1.00 0.00 H new ATOM 0 HD1 TYR A 38 14.781 -2.715 -24.664 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.650 -4.301 -25.494 1.00 0.00 H new ATOM 0 HE1 TYR A 38 14.318 -4.644 -23.204 1.00 0.00 H new ATOM 0 HE2 TYR A 38 18.191 -6.201 -24.024 1.00 0.00 H new ATOM 0 HH TYR A 38 16.760 -7.204 -22.680 1.00 0.00 H new ATOM 606 N LEU A 39 19.980 -1.670 -25.150 1.00 0.00 N ATOM 607 CA LEU A 39 21.181 -2.245 -24.518 1.00 0.00 C ATOM 608 C LEU A 39 21.785 -1.289 -23.466 1.00 0.00 C ATOM 609 O LEU A 39 22.188 -1.723 -22.396 1.00 0.00 O ATOM 610 CB LEU A 39 22.215 -2.619 -25.610 1.00 0.00 C ATOM 611 CG LEU A 39 21.727 -3.681 -26.655 1.00 0.00 C ATOM 612 CD1 LEU A 39 22.750 -3.874 -27.785 1.00 0.00 C ATOM 613 CD2 LEU A 39 21.384 -5.029 -25.977 1.00 0.00 C ATOM 0 H LEU A 39 20.085 -1.494 -26.149 1.00 0.00 H new ATOM 0 HA LEU A 39 20.894 -3.151 -23.984 1.00 0.00 H new ATOM 0 HB2 LEU A 39 22.500 -1.712 -26.143 1.00 0.00 H new ATOM 0 HB3 LEU A 39 23.113 -2.998 -25.123 1.00 0.00 H new ATOM 0 HG LEU A 39 20.812 -3.294 -27.102 1.00 0.00 H new ATOM 0 HD11 LEU A 39 22.378 -4.617 -28.490 1.00 0.00 H new ATOM 0 HD12 LEU A 39 22.903 -2.927 -28.303 1.00 0.00 H new ATOM 0 HD13 LEU A 39 23.696 -4.215 -27.365 1.00 0.00 H new ATOM 0 HD21 LEU A 39 21.049 -5.741 -26.731 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.270 -5.420 -25.476 1.00 0.00 H new ATOM 0 HD23 LEU A 39 20.591 -4.877 -25.245 1.00 0.00 H new ATOM 625 N GLN A 40 21.810 0.024 -23.761 1.00 0.00 N ATOM 626 CA GLN A 40 22.388 1.032 -22.836 1.00 0.00 C ATOM 627 C GLN A 40 21.400 1.433 -21.721 1.00 0.00 C ATOM 628 O GLN A 40 21.815 1.973 -20.690 1.00 0.00 O ATOM 629 CB GLN A 40 22.958 2.253 -23.616 1.00 0.00 C ATOM 630 CG GLN A 40 21.961 3.003 -24.520 1.00 0.00 C ATOM 631 CD GLN A 40 22.616 3.816 -25.660 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.730 3.318 -26.205 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 22.101 4.858 -26.071 1.00 0.00 N flip ATOM 0 H GLN A 40 21.440 0.416 -24.627 1.00 0.00 H new ATOM 0 HA GLN A 40 23.232 0.567 -22.326 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.367 2.961 -22.895 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.789 1.909 -24.232 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.271 2.281 -24.956 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.368 3.678 -23.903 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.250 5.213 -25.634 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.526 5.365 -26.848 1.00 0.00 H new ATOM 642 N LYS A 41 20.093 1.162 -21.923 1.00 0.00 N ATOM 643 CA LYS A 41 19.072 1.344 -20.868 1.00 0.00 C ATOM 644 C LYS A 41 19.102 0.167 -19.865 1.00 0.00 C ATOM 645 O LYS A 41 19.265 0.367 -18.657 1.00 0.00 O ATOM 646 CB LYS A 41 17.637 1.469 -21.471 1.00 0.00 C ATOM 647 CG LYS A 41 17.357 2.784 -22.228 1.00 0.00 C ATOM 648 CD LYS A 41 15.917 2.857 -22.804 1.00 0.00 C ATOM 649 CE LYS A 41 14.826 2.831 -21.714 1.00 0.00 C ATOM 650 NZ LYS A 41 14.924 3.985 -20.783 1.00 0.00 N ATOM 0 H LYS A 41 19.719 0.816 -22.807 1.00 0.00 H new ATOM 0 HA LYS A 41 19.313 2.271 -20.348 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.472 0.634 -22.152 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.911 1.371 -20.664 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.516 3.626 -21.554 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.074 2.888 -23.042 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.813 3.769 -23.392 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.762 2.020 -23.485 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.844 2.833 -22.187 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.905 1.903 -21.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.130 3.958 -20.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.821 3.934 -20.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.889 4.872 -21.325 1.00 0.00 H new ATOM 664 N ASN A 42 18.962 -1.064 -20.393 1.00 0.00 N ATOM 665 CA ASN A 42 18.666 -2.263 -19.580 1.00 0.00 C ATOM 666 C ASN A 42 19.933 -2.972 -19.064 1.00 0.00 C ATOM 667 O ASN A 42 19.840 -3.736 -18.105 1.00 0.00 O ATOM 668 CB ASN A 42 17.764 -3.246 -20.387 1.00 0.00 C ATOM 669 CG ASN A 42 16.357 -2.684 -20.633 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.444 -2.894 -19.838 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.170 -1.957 -21.727 1.00 0.00 N ATOM 0 H ASN A 42 19.050 -1.257 -21.391 1.00 0.00 H new ATOM 0 HA ASN A 42 18.129 -1.925 -18.694 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.237 -3.465 -21.344 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.686 -4.189 -19.847 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.252 -1.558 -21.923 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.944 -1.797 -22.372 1.00 0.00 H new ATOM 678 N ALA A 43 21.111 -2.713 -19.672 1.00 0.00 N ATOM 679 CA ALA A 43 22.391 -3.348 -19.243 1.00 0.00 C ATOM 680 C ALA A 43 23.273 -2.379 -18.434 1.00 0.00 C ATOM 681 O ALA A 43 22.935 -1.203 -18.260 1.00 0.00 O ATOM 682 CB ALA A 43 23.156 -3.875 -20.465 1.00 0.00 C ATOM 0 H ALA A 43 21.209 -2.072 -20.459 1.00 0.00 H new ATOM 0 HA ALA A 43 22.141 -4.183 -18.588 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.088 -4.336 -20.139 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.547 -4.615 -20.984 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.377 -3.048 -21.140 1.00 0.00 H new ATOM 688 N ASP A 44 24.403 -2.910 -17.925 1.00 0.00 N ATOM 689 CA ASP A 44 25.435 -2.126 -17.210 1.00 0.00 C ATOM 690 C ASP A 44 26.359 -1.436 -18.209 1.00 0.00 C ATOM 691 O ASP A 44 26.470 -1.877 -19.355 1.00 0.00 O ATOM 692 CB ASP A 44 26.296 -3.026 -16.287 1.00 0.00 C ATOM 693 CG ASP A 44 25.483 -3.802 -15.249 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.855 -3.161 -14.375 1.00 0.00 O ATOM 695 OD2 ASP A 44 25.483 -5.054 -15.282 1.00 0.00 O ATOM 0 H ASP A 44 24.628 -3.902 -17.998 1.00 0.00 H new ATOM 0 HA ASP A 44 24.914 -1.387 -16.601 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.853 -3.733 -16.901 1.00 0.00 H new ATOM 0 HB3 ASP A 44 27.029 -2.406 -15.771 1.00 0.00 H new ATOM 700 N ALA A 45 27.076 -0.399 -17.734 1.00 0.00 N ATOM 701 CA ALA A 45 28.052 0.356 -18.549 1.00 0.00 C ATOM 702 C ALA A 45 29.132 -0.586 -19.118 1.00 0.00 C ATOM 703 O ALA A 45 29.604 -0.391 -20.238 1.00 0.00 O ATOM 704 CB ALA A 45 28.691 1.481 -17.721 1.00 0.00 C ATOM 0 H ALA A 45 26.996 -0.060 -16.775 1.00 0.00 H new ATOM 0 HA ALA A 45 27.522 0.808 -19.387 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.406 2.025 -18.338 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.915 2.165 -17.376 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.206 1.053 -16.861 1.00 0.00 H new ATOM 710 N ALA A 46 29.467 -1.622 -18.324 1.00 0.00 N ATOM 711 CA ALA A 46 30.438 -2.675 -18.687 1.00 0.00 C ATOM 712 C ALA A 46 30.079 -3.359 -20.021 1.00 0.00 C ATOM 713 O ALA A 46 30.956 -3.618 -20.851 1.00 0.00 O ATOM 714 CB ALA A 46 30.506 -3.729 -17.569 1.00 0.00 C ATOM 0 H ALA A 46 29.064 -1.753 -17.396 1.00 0.00 H new ATOM 0 HA ALA A 46 31.410 -2.197 -18.810 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.223 -4.503 -17.842 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.821 -3.254 -16.640 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.522 -4.178 -17.432 1.00 0.00 H new ATOM 720 N PHE A 47 28.774 -3.624 -20.200 1.00 0.00 N ATOM 721 CA PHE A 47 28.234 -4.336 -21.372 1.00 0.00 C ATOM 722 C PHE A 47 28.410 -3.490 -22.649 1.00 0.00 C ATOM 723 O PHE A 47 28.734 -4.021 -23.719 1.00 0.00 O ATOM 724 CB PHE A 47 26.739 -4.671 -21.123 1.00 0.00 C ATOM 725 CG PHE A 47 26.113 -5.644 -22.126 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.195 -7.020 -21.918 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.439 -5.190 -23.268 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.632 -7.908 -22.814 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.877 -6.082 -24.164 1.00 0.00 C ATOM 730 CZ PHE A 47 24.977 -7.440 -23.935 1.00 0.00 C ATOM 0 H PHE A 47 28.057 -3.348 -19.529 1.00 0.00 H new ATOM 0 HA PHE A 47 28.784 -5.266 -21.517 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.639 -5.092 -20.122 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.168 -3.743 -21.137 1.00 0.00 H new ATOM 0 HD1 PHE A 47 26.706 -7.397 -21.044 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.357 -4.129 -23.451 1.00 0.00 H new ATOM 0 HE1 PHE A 47 25.705 -8.971 -22.637 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.362 -5.717 -25.040 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.542 -8.138 -24.635 1.00 0.00 H new ATOM 740 N LEU A 48 28.207 -2.164 -22.520 1.00 0.00 N ATOM 741 CA LEU A 48 28.367 -1.231 -23.648 1.00 0.00 C ATOM 742 C LEU A 48 29.847 -1.098 -24.015 1.00 0.00 C ATOM 743 O LEU A 48 30.201 -1.163 -25.173 1.00 0.00 O ATOM 744 CB LEU A 48 27.747 0.165 -23.356 1.00 0.00 C ATOM 745 CG LEU A 48 26.198 0.213 -23.113 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.436 -0.752 -24.047 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.838 -0.030 -21.641 1.00 0.00 C ATOM 0 H LEU A 48 27.932 -1.717 -21.645 1.00 0.00 H new ATOM 0 HA LEU A 48 27.822 -1.647 -24.495 1.00 0.00 H new ATOM 0 HB2 LEU A 48 28.242 0.580 -22.478 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.980 0.822 -24.194 1.00 0.00 H new ATOM 0 HG LEU A 48 25.876 1.224 -23.361 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.367 -0.686 -23.844 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.626 -0.479 -25.085 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.776 -1.773 -23.872 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.756 0.012 -21.519 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.199 -1.012 -21.335 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.303 0.737 -21.021 1.00 0.00 H new ATOM 759 N ARG A 49 30.704 -0.946 -23.004 1.00 0.00 N ATOM 760 CA ARG A 49 32.173 -0.877 -23.191 1.00 0.00 C ATOM 761 C ARG A 49 32.710 -2.174 -23.843 1.00 0.00 C ATOM 762 O ARG A 49 33.674 -2.136 -24.615 1.00 0.00 O ATOM 763 CB ARG A 49 32.841 -0.616 -21.821 1.00 0.00 C ATOM 764 CG ARG A 49 32.476 0.760 -21.211 1.00 0.00 C ATOM 765 CD ARG A 49 32.638 0.824 -19.684 1.00 0.00 C ATOM 766 NE ARG A 49 34.033 0.658 -19.235 1.00 0.00 N ATOM 767 CZ ARG A 49 34.489 0.990 -18.016 1.00 0.00 C ATOM 768 NH1 ARG A 49 33.679 1.549 -17.116 1.00 0.00 N ATOM 769 NH2 ARG A 49 35.754 0.764 -17.701 1.00 0.00 N ATOM 0 H ARG A 49 30.410 -0.866 -22.030 1.00 0.00 H new ATOM 0 HA ARG A 49 32.416 -0.058 -23.867 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.547 -1.403 -21.126 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.923 -0.679 -21.935 1.00 0.00 H new ATOM 0 HG2 ARG A 49 33.103 1.527 -21.666 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.444 0.999 -21.468 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.261 1.782 -19.326 1.00 0.00 H new ATOM 0 HD3 ARG A 49 32.023 0.048 -19.228 1.00 0.00 H new ATOM 0 HE ARG A 49 34.700 0.263 -19.898 1.00 0.00 H new ATOM 0 HH11 ARG A 49 32.703 1.728 -17.350 1.00 0.00 H new ATOM 0 HH12 ARG A 49 34.036 1.797 -16.193 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.381 0.338 -18.383 1.00 0.00 H new ATOM 0 HH22 ARG A 49 36.102 1.016 -16.776 1.00 0.00 H new ATOM 783 N HIS A 50 32.031 -3.300 -23.547 1.00 0.00 N ATOM 784 CA HIS A 50 32.348 -4.631 -24.101 1.00 0.00 C ATOM 785 C HIS A 50 32.015 -4.689 -25.608 1.00 0.00 C ATOM 786 O HIS A 50 32.815 -5.173 -26.413 1.00 0.00 O ATOM 787 CB HIS A 50 31.556 -5.709 -23.317 1.00 0.00 C ATOM 788 CG HIS A 50 31.808 -7.140 -23.726 1.00 0.00 C ATOM 789 ND1 HIS A 50 32.731 -7.943 -23.098 1.00 0.00 N ATOM 790 CD2 HIS A 50 31.225 -7.919 -24.669 1.00 0.00 C ATOM 791 CE1 HIS A 50 32.693 -9.149 -23.620 1.00 0.00 C ATOM 792 NE2 HIS A 50 31.788 -9.163 -24.575 1.00 0.00 N ATOM 0 H HIS A 50 31.236 -3.310 -22.908 1.00 0.00 H new ATOM 0 HA HIS A 50 33.416 -4.823 -23.993 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.792 -5.607 -22.258 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.492 -5.502 -23.427 1.00 0.00 H new ATOM 0 HD2 HIS A 50 30.458 -7.615 -25.366 1.00 0.00 H new ATOM 0 HE1 HIS A 50 33.302 -9.987 -23.316 1.00 0.00 H new ATOM 0 HE2 HIS A 50 31.546 -9.969 -25.151 1.00 0.00 H new ATOM 801 N TRP A 51 30.814 -4.200 -25.970 1.00 0.00 N ATOM 802 CA TRP A 51 30.319 -4.216 -27.369 1.00 0.00 C ATOM 803 C TRP A 51 30.570 -2.874 -28.097 1.00 0.00 C ATOM 804 O TRP A 51 29.995 -2.639 -29.162 1.00 0.00 O ATOM 805 CB TRP A 51 28.810 -4.577 -27.387 1.00 0.00 C ATOM 806 CG TRP A 51 28.509 -6.001 -26.992 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.066 -6.456 -25.779 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.633 -7.156 -27.832 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.895 -7.814 -25.821 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.247 -8.270 -27.066 1.00 0.00 C ATOM 811 CE3 TRP A 51 29.038 -7.351 -29.162 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.243 -9.558 -27.586 1.00 0.00 C ATOM 813 CZ3 TRP A 51 29.037 -8.631 -29.675 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.643 -9.725 -28.887 1.00 0.00 C ATOM 0 H TRP A 51 30.159 -3.784 -25.308 1.00 0.00 H new ATOM 0 HA TRP A 51 30.881 -4.976 -27.912 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.279 -3.905 -26.712 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.417 -4.399 -28.388 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.879 -5.835 -24.916 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.560 -8.393 -25.051 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.345 -6.514 -29.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.935 -10.401 -26.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.344 -8.795 -30.698 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.655 -10.717 -29.314 1.00 0.00 H new ATOM 825 N LYS A 52 31.415 -1.999 -27.502 1.00 0.00 N ATOM 826 CA LYS A 52 31.851 -0.701 -28.102 1.00 0.00 C ATOM 827 C LYS A 52 30.665 0.290 -28.301 1.00 0.00 C ATOM 828 O LYS A 52 30.739 1.224 -29.102 1.00 0.00 O ATOM 829 CB LYS A 52 32.630 -0.932 -29.439 1.00 0.00 C ATOM 830 CG LYS A 52 33.881 -1.840 -29.316 1.00 0.00 C ATOM 831 CD LYS A 52 34.960 -1.291 -28.341 1.00 0.00 C ATOM 832 CE LYS A 52 35.531 0.075 -28.773 1.00 0.00 C ATOM 833 NZ LYS A 52 36.593 0.568 -27.864 1.00 0.00 N ATOM 0 H LYS A 52 31.821 -2.170 -26.582 1.00 0.00 H new ATOM 0 HA LYS A 52 32.532 -0.235 -27.389 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.950 -1.372 -30.168 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.939 0.036 -29.835 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.569 -2.829 -28.979 1.00 0.00 H new ATOM 0 HG3 LYS A 52 34.326 -1.965 -30.303 1.00 0.00 H new ATOM 0 HD2 LYS A 52 34.527 -1.198 -27.345 1.00 0.00 H new ATOM 0 HD3 LYS A 52 35.775 -2.011 -28.268 1.00 0.00 H new ATOM 0 HE2 LYS A 52 35.933 -0.008 -29.783 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.723 0.806 -28.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 36.940 1.488 -28.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 36.207 0.675 -26.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 37.379 -0.113 -27.847 1.00 0.00 H new ATOM 847 N LEU A 53 29.584 0.068 -27.533 1.00 0.00 N ATOM 848 CA LEU A 53 28.369 0.906 -27.532 1.00 0.00 C ATOM 849 C LEU A 53 28.460 2.038 -26.463 1.00 0.00 C ATOM 850 O LEU A 53 27.435 2.628 -26.092 1.00 0.00 O ATOM 851 CB LEU A 53 27.119 0.017 -27.242 1.00 0.00 C ATOM 852 CG LEU A 53 27.045 -1.369 -27.957 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.870 -2.197 -27.420 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.967 -1.246 -29.491 1.00 0.00 C ATOM 0 H LEU A 53 29.528 -0.715 -26.882 1.00 0.00 H new ATOM 0 HA LEU A 53 28.278 1.370 -28.514 1.00 0.00 H new ATOM 0 HB2 LEU A 53 27.069 -0.155 -26.167 1.00 0.00 H new ATOM 0 HB3 LEU A 53 26.230 0.585 -27.515 1.00 0.00 H new ATOM 0 HG LEU A 53 27.977 -1.887 -27.730 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.838 -3.158 -27.933 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.999 -2.360 -26.350 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.937 -1.661 -27.595 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.918 -2.241 -29.934 1.00 0.00 H new ATOM 0 HD22 LEU A 53 26.076 -0.682 -29.766 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.852 -0.728 -29.860 1.00 0.00 H new ATOM 866 N THR A 54 29.680 2.329 -25.964 1.00 0.00 N ATOM 867 CA THR A 54 29.900 3.331 -24.887 1.00 0.00 C ATOM 868 C THR A 54 29.942 4.788 -25.431 1.00 0.00 C ATOM 869 O THR A 54 29.792 5.749 -24.657 1.00 0.00 O ATOM 870 CB THR A 54 31.204 2.998 -24.074 1.00 0.00 C ATOM 871 OG1 THR A 54 31.440 3.981 -23.049 1.00 0.00 O ATOM 872 CG2 THR A 54 32.448 2.881 -24.967 1.00 0.00 C ATOM 0 H THR A 54 30.537 1.883 -26.290 1.00 0.00 H new ATOM 0 HA THR A 54 29.044 3.269 -24.215 1.00 0.00 H new ATOM 0 HB THR A 54 31.032 2.025 -23.614 1.00 0.00 H new ATOM 0 HG1 THR A 54 30.993 4.819 -23.290 1.00 0.00 H new ATOM 0 HG21 THR A 54 33.317 2.650 -24.351 1.00 0.00 H new ATOM 0 HG22 THR A 54 32.298 2.085 -25.697 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.612 3.824 -25.488 1.00 0.00 H new ATOM 880 N GLY A 55 30.127 4.937 -26.765 1.00 0.00 N ATOM 881 CA GLY A 55 30.124 6.264 -27.426 1.00 0.00 C ATOM 882 C GLY A 55 28.711 6.784 -27.691 1.00 0.00 C ATOM 883 O GLY A 55 27.738 6.218 -27.171 1.00 0.00 O ATOM 0 H GLY A 55 30.280 4.156 -27.403 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.659 6.979 -26.801 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.666 6.197 -28.369 1.00 0.00 H new ATOM 887 N THR A 56 28.579 7.866 -28.496 1.00 0.00 N ATOM 888 CA THR A 56 27.254 8.415 -28.869 1.00 0.00 C ATOM 889 C THR A 56 26.542 7.462 -29.857 1.00 0.00 C ATOM 890 O THR A 56 27.164 6.967 -30.803 1.00 0.00 O ATOM 891 CB THR A 56 27.341 9.874 -29.460 1.00 0.00 C ATOM 892 OG1 THR A 56 26.030 10.404 -29.704 1.00 0.00 O ATOM 893 CG2 THR A 56 28.158 9.963 -30.757 1.00 0.00 C ATOM 0 H THR A 56 29.369 8.372 -28.897 1.00 0.00 H new ATOM 0 HA THR A 56 26.667 8.489 -27.954 1.00 0.00 H new ATOM 0 HB THR A 56 27.858 10.464 -28.703 1.00 0.00 H new ATOM 0 HG1 THR A 56 26.106 11.310 -30.069 1.00 0.00 H new ATOM 0 HG21 THR A 56 28.175 10.995 -31.106 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.178 9.627 -30.569 1.00 0.00 H new ATOM 0 HG23 THR A 56 27.702 9.330 -31.518 1.00 0.00 H new ATOM 901 N ASN A 57 25.233 7.232 -29.624 1.00 0.00 N ATOM 902 CA ASN A 57 24.427 6.190 -30.315 1.00 0.00 C ATOM 903 C ASN A 57 24.408 6.393 -31.850 1.00 0.00 C ATOM 904 O ASN A 57 24.291 5.433 -32.610 1.00 0.00 O ATOM 905 CB ASN A 57 22.989 6.182 -29.719 1.00 0.00 C ATOM 906 CG ASN A 57 22.151 4.933 -30.034 1.00 0.00 C ATOM 907 OD1 ASN A 57 22.285 4.307 -31.078 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.273 4.565 -29.112 1.00 0.00 N ATOM 0 H ASN A 57 24.695 7.768 -28.944 1.00 0.00 H new ATOM 0 HA ASN A 57 24.891 5.218 -30.146 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.062 6.286 -28.636 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.456 7.058 -30.088 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.689 3.743 -29.263 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.181 5.104 -28.251 1.00 0.00 H new ATOM 915 N LYS A 58 24.555 7.650 -32.283 1.00 0.00 N ATOM 916 CA LYS A 58 24.623 8.020 -33.710 1.00 0.00 C ATOM 917 C LYS A 58 25.901 7.436 -34.369 1.00 0.00 C ATOM 918 O LYS A 58 25.848 6.784 -35.437 1.00 0.00 O ATOM 919 CB LYS A 58 24.593 9.562 -33.826 1.00 0.00 C ATOM 920 CG LYS A 58 24.398 10.108 -35.258 1.00 0.00 C ATOM 921 CD LYS A 58 24.246 11.651 -35.294 1.00 0.00 C ATOM 922 CE LYS A 58 22.994 12.146 -34.537 1.00 0.00 C ATOM 923 NZ LYS A 58 22.916 13.626 -34.481 1.00 0.00 N ATOM 0 H LYS A 58 24.631 8.448 -31.652 1.00 0.00 H new ATOM 0 HA LYS A 58 23.766 7.602 -34.238 1.00 0.00 H new ATOM 0 HB2 LYS A 58 23.789 9.943 -33.196 1.00 0.00 H new ATOM 0 HB3 LYS A 58 25.526 9.959 -33.426 1.00 0.00 H new ATOM 0 HG2 LYS A 58 25.249 9.816 -35.873 1.00 0.00 H new ATOM 0 HG3 LYS A 58 23.514 9.649 -35.700 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.134 12.109 -34.858 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.193 11.982 -36.331 1.00 0.00 H new ATOM 0 HE2 LYS A 58 22.100 11.756 -35.024 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.004 11.747 -33.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 22.060 13.909 -33.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 23.755 14.000 -33.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 22.879 14.008 -35.447 1.00 0.00 H new ATOM 937 N SER A 59 27.046 7.646 -33.691 1.00 0.00 N ATOM 938 CA SER A 59 28.350 7.129 -34.142 1.00 0.00 C ATOM 939 C SER A 59 28.348 5.591 -34.118 1.00 0.00 C ATOM 940 O SER A 59 28.892 4.951 -35.020 1.00 0.00 O ATOM 941 CB SER A 59 29.491 7.682 -33.256 1.00 0.00 C ATOM 942 OG SER A 59 30.765 7.238 -33.697 1.00 0.00 O ATOM 0 H SER A 59 27.092 8.176 -32.821 1.00 0.00 H new ATOM 0 HA SER A 59 28.520 7.463 -35.166 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.463 8.772 -33.266 1.00 0.00 H new ATOM 0 HB3 SER A 59 29.334 7.368 -32.224 1.00 0.00 H new ATOM 0 HG SER A 59 31.460 7.609 -33.114 1.00 0.00 H new ATOM 948 N ILE A 60 27.693 5.013 -33.094 1.00 0.00 N ATOM 949 CA ILE A 60 27.608 3.558 -32.921 1.00 0.00 C ATOM 950 C ILE A 60 26.811 2.922 -34.074 1.00 0.00 C ATOM 951 O ILE A 60 27.290 2.003 -34.710 1.00 0.00 O ATOM 952 CB ILE A 60 26.943 3.170 -31.558 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.660 3.854 -30.357 1.00 0.00 C ATOM 954 CG2 ILE A 60 26.939 1.636 -31.375 1.00 0.00 C ATOM 955 CD1 ILE A 60 26.900 3.755 -29.048 1.00 0.00 C ATOM 0 H ILE A 60 27.211 5.543 -32.368 1.00 0.00 H new ATOM 0 HA ILE A 60 28.629 3.177 -32.925 1.00 0.00 H new ATOM 0 HB ILE A 60 25.913 3.527 -31.580 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.644 3.403 -30.229 1.00 0.00 H new ATOM 0 HG13 ILE A 60 27.820 4.906 -30.594 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.473 1.384 -30.422 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.377 1.174 -32.187 1.00 0.00 H new ATOM 0 HG23 ILE A 60 27.964 1.266 -31.387 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.464 4.255 -28.261 1.00 0.00 H new ATOM 0 HD12 ILE A 60 25.926 4.233 -29.156 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.763 2.706 -28.786 1.00 0.00 H new ATOM 967 N ARG A 61 25.604 3.449 -34.362 1.00 0.00 N ATOM 968 CA ARG A 61 24.724 2.895 -35.419 1.00 0.00 C ATOM 969 C ARG A 61 25.369 3.057 -36.819 1.00 0.00 C ATOM 970 O ARG A 61 25.008 2.338 -37.753 1.00 0.00 O ATOM 971 CB ARG A 61 23.306 3.544 -35.370 1.00 0.00 C ATOM 972 CG ARG A 61 23.270 5.026 -35.784 1.00 0.00 C ATOM 973 CD ARG A 61 21.896 5.690 -35.623 1.00 0.00 C ATOM 974 NE ARG A 61 21.883 7.040 -36.228 1.00 0.00 N ATOM 975 CZ ARG A 61 21.044 8.037 -35.912 1.00 0.00 C ATOM 976 NH1 ARG A 61 20.176 7.918 -34.918 1.00 0.00 N ATOM 977 NH2 ARG A 61 21.097 9.169 -36.604 1.00 0.00 N ATOM 0 H ARG A 61 25.213 4.258 -33.879 1.00 0.00 H new ATOM 0 HA ARG A 61 24.604 1.828 -35.229 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.639 2.981 -36.023 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.913 3.453 -34.358 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.999 5.576 -35.189 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.581 5.109 -36.825 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.132 5.070 -36.092 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.644 5.760 -34.565 1.00 0.00 H new ATOM 0 HE ARG A 61 22.576 7.230 -36.952 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.137 7.055 -34.376 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.547 8.689 -34.695 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.769 9.271 -37.364 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.465 9.936 -36.375 1.00 0.00 H new ATOM 991 N LYS A 62 26.321 4.014 -36.955 1.00 0.00 N ATOM 992 CA LYS A 62 27.154 4.132 -38.168 1.00 0.00 C ATOM 993 C LYS A 62 28.215 3.007 -38.256 1.00 0.00 C ATOM 994 O LYS A 62 28.215 2.226 -39.214 1.00 0.00 O ATOM 995 CB LYS A 62 27.827 5.537 -38.224 1.00 0.00 C ATOM 996 CG LYS A 62 28.962 5.718 -39.276 1.00 0.00 C ATOM 997 CD LYS A 62 28.572 5.395 -40.752 1.00 0.00 C ATOM 998 CE LYS A 62 27.494 6.322 -41.358 1.00 0.00 C ATOM 999 NZ LYS A 62 26.123 6.004 -40.883 1.00 0.00 N ATOM 0 H LYS A 62 26.527 4.711 -36.239 1.00 0.00 H new ATOM 0 HA LYS A 62 26.499 4.019 -39.032 1.00 0.00 H new ATOM 0 HB2 LYS A 62 27.054 6.279 -38.424 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.235 5.760 -37.238 1.00 0.00 H new ATOM 0 HG2 LYS A 62 29.315 6.748 -39.230 1.00 0.00 H new ATOM 0 HG3 LYS A 62 29.800 5.081 -38.993 1.00 0.00 H new ATOM 0 HD2 LYS A 62 29.468 5.452 -41.370 1.00 0.00 H new ATOM 0 HD3 LYS A 62 28.215 4.366 -40.801 1.00 0.00 H new ATOM 0 HE2 LYS A 62 27.729 7.356 -41.107 1.00 0.00 H new ATOM 0 HE3 LYS A 62 27.524 6.243 -42.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 25.433 6.264 -41.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 26.052 4.985 -40.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 25.924 6.540 -40.014 1.00 0.00 H new ATOM 1013 N ASN A 63 29.097 2.927 -37.248 1.00 0.00 N ATOM 1014 CA ASN A 63 30.291 2.054 -37.302 1.00 0.00 C ATOM 1015 C ASN A 63 29.908 0.579 -37.076 1.00 0.00 C ATOM 1016 O ASN A 63 30.384 -0.318 -37.780 1.00 0.00 O ATOM 1017 CB ASN A 63 31.362 2.536 -36.286 1.00 0.00 C ATOM 1018 CG ASN A 63 31.950 3.911 -36.644 1.00 0.00 C ATOM 1019 OD1 ASN A 63 32.820 4.019 -37.508 1.00 0.00 O ATOM 1020 ND2 ASN A 63 31.515 4.958 -35.959 1.00 0.00 N ATOM 0 H ASN A 63 29.010 3.456 -36.381 1.00 0.00 H new ATOM 0 HA ASN A 63 30.726 2.122 -38.299 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.917 2.584 -35.292 1.00 0.00 H new ATOM 0 HB3 ASN A 63 32.167 1.803 -36.239 1.00 0.00 H new ATOM 0 HD21 ASN A 63 31.902 5.884 -36.142 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.793 4.838 -35.249 1.00 0.00 H new ATOM 1027 N ARG A 64 29.049 0.356 -36.083 1.00 0.00 N ATOM 1028 CA ARG A 64 28.431 -0.952 -35.815 1.00 0.00 C ATOM 1029 C ARG A 64 27.280 -1.176 -36.806 1.00 0.00 C ATOM 1030 O ARG A 64 26.360 -0.356 -36.910 1.00 0.00 O ATOM 1031 CB ARG A 64 27.912 -1.061 -34.342 1.00 0.00 C ATOM 1032 CG ARG A 64 28.958 -1.436 -33.256 1.00 0.00 C ATOM 1033 CD ARG A 64 30.153 -0.466 -33.130 1.00 0.00 C ATOM 1034 NE ARG A 64 31.177 -0.650 -34.187 1.00 0.00 N ATOM 1035 CZ ARG A 64 32.398 -0.096 -34.186 1.00 0.00 C ATOM 1036 NH1 ARG A 64 32.783 0.687 -33.202 1.00 0.00 N ATOM 1037 NH2 ARG A 64 33.221 -0.318 -35.195 1.00 0.00 N ATOM 0 H ARG A 64 28.756 1.084 -35.431 1.00 0.00 H new ATOM 0 HA ARG A 64 29.189 -1.724 -35.945 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.465 -0.105 -34.068 1.00 0.00 H new ATOM 0 HB3 ARG A 64 27.115 -1.804 -34.317 1.00 0.00 H new ATOM 0 HG2 ARG A 64 28.453 -1.492 -32.292 1.00 0.00 H new ATOM 0 HG3 ARG A 64 29.341 -2.433 -33.473 1.00 0.00 H new ATOM 0 HD2 ARG A 64 29.784 0.559 -33.167 1.00 0.00 H new ATOM 0 HD3 ARG A 64 30.620 -0.602 -32.155 1.00 0.00 H new ATOM 0 HE ARG A 64 30.933 -1.246 -34.978 1.00 0.00 H new ATOM 0 HH11 ARG A 64 32.150 0.880 -32.426 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.715 1.101 -33.215 1.00 0.00 H new ATOM 0 HH21 ARG A 64 32.927 -0.910 -35.972 1.00 0.00 H new ATOM 0 HH22 ARG A 64 34.150 0.102 -35.197 1.00 0.00 H new ATOM 1051 N ASN A 65 27.360 -2.290 -37.527 1.00 0.00 N ATOM 1052 CA ASN A 65 26.298 -2.750 -38.445 1.00 0.00 C ATOM 1053 C ASN A 65 25.281 -3.588 -37.661 1.00 0.00 C ATOM 1054 O ASN A 65 25.433 -3.779 -36.447 1.00 0.00 O ATOM 1055 CB ASN A 65 26.912 -3.574 -39.614 1.00 0.00 C ATOM 1056 CG ASN A 65 27.742 -2.722 -40.580 1.00 0.00 C ATOM 1057 OD1 ASN A 65 27.248 -2.262 -41.613 1.00 0.00 O ATOM 1058 ND2 ASN A 65 28.998 -2.468 -40.232 1.00 0.00 N ATOM 0 H ASN A 65 28.168 -2.912 -37.497 1.00 0.00 H new ATOM 0 HA ASN A 65 25.790 -1.887 -38.876 1.00 0.00 H new ATOM 0 HB2 ASN A 65 27.541 -4.363 -39.203 1.00 0.00 H new ATOM 0 HB3 ASN A 65 26.110 -4.062 -40.167 1.00 0.00 H new ATOM 0 HD21 ASN A 65 29.582 -1.878 -40.825 1.00 0.00 H new ATOM 0 HD22 ASN A 65 29.379 -2.863 -39.372 1.00 0.00 H new ATOM 1065 N CYS A 66 24.259 -4.096 -38.373 1.00 0.00 N ATOM 1066 CA CYS A 66 23.199 -4.949 -37.796 1.00 0.00 C ATOM 1067 C CYS A 66 23.804 -6.126 -37.020 1.00 0.00 C ATOM 1068 O CYS A 66 23.389 -6.402 -35.905 1.00 0.00 O ATOM 1069 CB CYS A 66 22.284 -5.473 -38.922 1.00 0.00 C ATOM 1070 SG CYS A 66 23.159 -6.424 -40.190 1.00 0.00 S ATOM 0 H CYS A 66 24.143 -3.926 -39.372 1.00 0.00 H new ATOM 0 HA CYS A 66 22.612 -4.349 -37.100 1.00 0.00 H new ATOM 0 HB2 CYS A 66 21.506 -6.098 -38.484 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.785 -4.627 -39.395 1.00 0.00 H new ATOM 0 HG CYS A 66 22.313 -6.825 -41.092 1.00 0.00 H new ATOM 1076 N SER A 67 24.838 -6.747 -37.626 1.00 0.00 N ATOM 1077 CA SER A 67 25.524 -7.953 -37.108 1.00 0.00 C ATOM 1078 C SER A 67 25.942 -7.821 -35.626 1.00 0.00 C ATOM 1079 O SER A 67 25.694 -8.724 -34.825 1.00 0.00 O ATOM 1080 CB SER A 67 26.762 -8.254 -37.985 1.00 0.00 C ATOM 1081 OG SER A 67 26.405 -8.316 -39.364 1.00 0.00 O ATOM 0 H SER A 67 25.229 -6.418 -38.509 1.00 0.00 H new ATOM 0 HA SER A 67 24.813 -8.778 -37.157 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.516 -7.481 -37.835 1.00 0.00 H new ATOM 0 HB3 SER A 67 27.209 -9.199 -37.678 1.00 0.00 H new ATOM 0 HG SER A 67 27.203 -8.506 -39.900 1.00 0.00 H new ATOM 1087 N GLN A 68 26.549 -6.670 -35.283 1.00 0.00 N ATOM 1088 CA GLN A 68 27.030 -6.382 -33.912 1.00 0.00 C ATOM 1089 C GLN A 68 25.862 -6.282 -32.929 1.00 0.00 C ATOM 1090 O GLN A 68 25.941 -6.769 -31.804 1.00 0.00 O ATOM 1091 CB GLN A 68 27.847 -5.064 -33.891 1.00 0.00 C ATOM 1092 CG GLN A 68 29.199 -5.142 -34.625 1.00 0.00 C ATOM 1093 CD GLN A 68 30.158 -6.201 -34.050 1.00 0.00 C ATOM 1094 OE1 GLN A 68 30.961 -6.781 -34.779 1.00 0.00 O ATOM 1095 NE2 GLN A 68 30.100 -6.446 -32.733 1.00 0.00 N ATOM 0 H GLN A 68 26.721 -5.913 -35.944 1.00 0.00 H new ATOM 0 HA GLN A 68 27.672 -7.207 -33.604 1.00 0.00 H new ATOM 0 HB2 GLN A 68 27.248 -4.272 -34.341 1.00 0.00 H new ATOM 0 HB3 GLN A 68 28.026 -4.778 -32.854 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.018 -5.362 -35.677 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.682 -4.166 -34.582 1.00 0.00 H new ATOM 0 HE21 GLN A 68 29.424 -5.951 -32.151 1.00 0.00 H new ATOM 0 HE22 GLN A 68 30.732 -7.128 -32.313 1.00 0.00 H new ATOM 1104 N LEU A 69 24.790 -5.648 -33.400 1.00 0.00 N ATOM 1105 CA LEU A 69 23.578 -5.387 -32.611 1.00 0.00 C ATOM 1106 C LEU A 69 22.795 -6.681 -32.342 1.00 0.00 C ATOM 1107 O LEU A 69 22.247 -6.857 -31.253 1.00 0.00 O ATOM 1108 CB LEU A 69 22.696 -4.347 -33.348 1.00 0.00 C ATOM 1109 CG LEU A 69 23.087 -2.845 -33.177 1.00 0.00 C ATOM 1110 CD1 LEU A 69 24.536 -2.540 -33.612 1.00 0.00 C ATOM 1111 CD2 LEU A 69 22.091 -1.957 -33.932 1.00 0.00 C ATOM 0 H LEU A 69 24.734 -5.294 -34.355 1.00 0.00 H new ATOM 0 HA LEU A 69 23.872 -4.983 -31.642 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.710 -4.583 -34.412 1.00 0.00 H new ATOM 0 HB3 LEU A 69 21.668 -4.471 -33.008 1.00 0.00 H new ATOM 0 HG LEU A 69 23.040 -2.622 -32.111 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.744 -1.480 -33.468 1.00 0.00 H new ATOM 0 HD12 LEU A 69 25.228 -3.130 -33.011 1.00 0.00 H new ATOM 0 HD13 LEU A 69 24.661 -2.794 -34.664 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.370 -0.911 -33.808 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.105 -2.213 -34.991 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.089 -2.115 -33.534 1.00 0.00 H new ATOM 1123 N ILE A 70 22.757 -7.583 -33.342 1.00 0.00 N ATOM 1124 CA ILE A 70 22.086 -8.890 -33.219 1.00 0.00 C ATOM 1125 C ILE A 70 22.852 -9.736 -32.198 1.00 0.00 C ATOM 1126 O ILE A 70 22.262 -10.296 -31.289 1.00 0.00 O ATOM 1127 CB ILE A 70 22.020 -9.658 -34.593 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.381 -8.768 -35.703 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.240 -10.995 -34.440 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.577 -9.268 -37.125 1.00 0.00 C ATOM 0 H ILE A 70 23.188 -7.427 -34.253 1.00 0.00 H new ATOM 0 HA ILE A 70 21.060 -8.718 -32.895 1.00 0.00 H new ATOM 0 HB ILE A 70 23.041 -9.891 -34.897 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.312 -8.684 -35.508 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.799 -7.764 -35.627 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.207 -11.509 -35.401 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.742 -11.627 -33.708 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.224 -10.787 -34.104 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.097 -8.581 -37.822 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.643 -9.324 -37.347 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.133 -10.258 -37.227 1.00 0.00 H new ATOM 1142 N ALA A 71 24.187 -9.770 -32.355 1.00 0.00 N ATOM 1143 CA ALA A 71 25.096 -10.515 -31.467 1.00 0.00 C ATOM 1144 C ALA A 71 25.007 -10.007 -30.016 1.00 0.00 C ATOM 1145 O ALA A 71 25.021 -10.802 -29.084 1.00 0.00 O ATOM 1146 CB ALA A 71 26.538 -10.419 -31.989 1.00 0.00 C ATOM 0 H ALA A 71 24.669 -9.278 -33.107 1.00 0.00 H new ATOM 0 HA ALA A 71 24.789 -11.561 -31.467 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.203 -10.973 -31.326 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.591 -10.842 -32.992 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.845 -9.374 -32.020 1.00 0.00 H new ATOM 1152 N ALA A 72 24.899 -8.676 -29.861 1.00 0.00 N ATOM 1153 CA ALA A 72 24.792 -8.014 -28.544 1.00 0.00 C ATOM 1154 C ALA A 72 23.438 -8.298 -27.854 1.00 0.00 C ATOM 1155 O ALA A 72 23.403 -8.586 -26.651 1.00 0.00 O ATOM 1156 CB ALA A 72 25.022 -6.505 -28.696 1.00 0.00 C ATOM 0 H ALA A 72 24.883 -8.025 -30.646 1.00 0.00 H new ATOM 0 HA ALA A 72 25.566 -8.431 -27.900 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.941 -6.025 -27.721 1.00 0.00 H new ATOM 0 HB2 ALA A 72 26.016 -6.328 -29.107 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.272 -6.089 -29.369 1.00 0.00 H new ATOM 1162 N TYR A 73 22.332 -8.213 -28.626 1.00 0.00 N ATOM 1163 CA TYR A 73 20.966 -8.442 -28.098 1.00 0.00 C ATOM 1164 C TYR A 73 20.791 -9.920 -27.707 1.00 0.00 C ATOM 1165 O TYR A 73 20.259 -10.227 -26.636 1.00 0.00 O ATOM 1166 CB TYR A 73 19.883 -8.014 -29.125 1.00 0.00 C ATOM 1167 CG TYR A 73 18.442 -8.065 -28.573 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.914 -6.995 -27.843 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.620 -9.188 -28.753 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.631 -7.041 -27.324 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.333 -9.232 -28.238 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.848 -8.159 -27.520 1.00 0.00 C ATOM 1173 OH TYR A 73 14.573 -8.200 -27.001 1.00 0.00 O ATOM 0 H TYR A 73 22.358 -7.987 -29.620 1.00 0.00 H new ATOM 0 HA TYR A 73 20.838 -7.825 -27.209 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.097 -7.000 -29.462 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.950 -8.661 -30.000 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.519 -6.115 -27.681 1.00 0.00 H new ATOM 0 HD2 TYR A 73 17.998 -10.036 -29.304 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.244 -6.201 -26.766 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.714 -10.102 -28.398 1.00 0.00 H new ATOM 0 HH TYR A 73 14.074 -8.934 -27.417 1.00 0.00 H new ATOM 1183 N LYS A 74 21.253 -10.823 -28.598 1.00 0.00 N ATOM 1184 CA LYS A 74 21.249 -12.278 -28.351 1.00 0.00 C ATOM 1185 C LYS A 74 22.072 -12.597 -27.114 1.00 0.00 C ATOM 1186 O LYS A 74 21.610 -13.328 -26.241 1.00 0.00 O ATOM 1187 CB LYS A 74 21.809 -13.086 -29.558 1.00 0.00 C ATOM 1188 CG LYS A 74 20.919 -13.086 -30.809 1.00 0.00 C ATOM 1189 CD LYS A 74 21.388 -14.090 -31.892 1.00 0.00 C ATOM 1190 CE LYS A 74 22.782 -13.774 -32.448 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.194 -14.731 -33.506 1.00 0.00 N ATOM 0 H LYS A 74 21.638 -10.563 -29.506 1.00 0.00 H new ATOM 0 HA LYS A 74 20.210 -12.573 -28.203 1.00 0.00 H new ATOM 0 HB2 LYS A 74 22.785 -12.681 -29.825 1.00 0.00 H new ATOM 0 HB3 LYS A 74 21.967 -14.118 -29.243 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.896 -13.326 -30.519 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.903 -12.083 -31.235 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.392 -15.095 -31.469 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.669 -14.092 -32.711 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.789 -12.762 -32.853 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.509 -13.797 -31.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.142 -14.479 -33.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.213 -15.694 -33.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.516 -14.691 -34.293 1.00 0.00 H new ATOM 1205 N ASP A 75 23.281 -11.995 -27.042 1.00 0.00 N ATOM 1206 CA ASP A 75 24.207 -12.197 -25.923 1.00 0.00 C ATOM 1207 C ASP A 75 23.499 -11.900 -24.607 1.00 0.00 C ATOM 1208 O ASP A 75 23.476 -12.740 -23.758 1.00 0.00 O ATOM 1209 CB ASP A 75 25.485 -11.321 -26.049 1.00 0.00 C ATOM 1210 CG ASP A 75 26.501 -11.535 -24.901 1.00 0.00 C ATOM 1211 OD1 ASP A 75 26.946 -12.688 -24.701 1.00 0.00 O ATOM 1212 OD2 ASP A 75 26.858 -10.567 -24.194 1.00 0.00 O ATOM 0 H ASP A 75 23.633 -11.360 -27.758 1.00 0.00 H new ATOM 0 HA ASP A 75 24.526 -13.239 -25.946 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.972 -11.539 -26.999 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.194 -10.271 -26.074 1.00 0.00 H new ATOM 1217 N PHE A 76 22.833 -10.742 -24.546 1.00 0.00 N ATOM 1218 CA PHE A 76 22.161 -10.213 -23.339 1.00 0.00 C ATOM 1219 C PHE A 76 21.001 -11.130 -22.881 1.00 0.00 C ATOM 1220 O PHE A 76 20.921 -11.514 -21.693 1.00 0.00 O ATOM 1221 CB PHE A 76 21.663 -8.773 -23.649 1.00 0.00 C ATOM 1222 CG PHE A 76 21.264 -7.925 -22.438 1.00 0.00 C ATOM 1223 CD1 PHE A 76 22.004 -7.961 -21.256 1.00 0.00 C ATOM 1224 CD2 PHE A 76 20.158 -7.079 -22.489 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.650 -7.185 -20.170 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.803 -6.301 -21.402 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.545 -6.360 -20.241 1.00 0.00 C ATOM 0 H PHE A 76 22.740 -10.125 -25.353 1.00 0.00 H new ATOM 0 HA PHE A 76 22.869 -10.186 -22.511 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.448 -8.248 -24.193 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.805 -8.843 -24.317 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.868 -8.606 -21.189 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.568 -7.030 -23.392 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.238 -7.223 -19.265 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.945 -5.648 -21.462 1.00 0.00 H new ATOM 0 HZ PHE A 76 20.262 -5.761 -19.388 1.00 0.00 H new ATOM 1237 N CYS A 77 20.133 -11.502 -23.839 1.00 0.00 N ATOM 1238 CA CYS A 77 18.972 -12.384 -23.585 1.00 0.00 C ATOM 1239 C CYS A 77 19.423 -13.741 -23.005 1.00 0.00 C ATOM 1240 O CYS A 77 18.817 -14.266 -22.066 1.00 0.00 O ATOM 1241 CB CYS A 77 18.166 -12.587 -24.883 1.00 0.00 C ATOM 1242 SG CYS A 77 17.463 -11.063 -25.545 1.00 0.00 S ATOM 0 H CYS A 77 20.214 -11.202 -24.811 1.00 0.00 H new ATOM 0 HA CYS A 77 18.331 -11.903 -22.846 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.814 -13.035 -25.636 1.00 0.00 H new ATOM 0 HB3 CYS A 77 17.360 -13.296 -24.693 1.00 0.00 H new ATOM 0 HG CYS A 77 18.392 -10.382 -26.147 1.00 0.00 H new ATOM 1248 N GLU A 78 20.527 -14.261 -23.558 1.00 0.00 N ATOM 1249 CA GLU A 78 21.131 -15.541 -23.150 1.00 0.00 C ATOM 1250 C GLU A 78 22.039 -15.369 -21.915 1.00 0.00 C ATOM 1251 O GLU A 78 22.301 -16.327 -21.186 1.00 0.00 O ATOM 1252 CB GLU A 78 21.944 -16.111 -24.335 1.00 0.00 C ATOM 1253 CG GLU A 78 21.121 -16.325 -25.620 1.00 0.00 C ATOM 1254 CD GLU A 78 19.877 -17.213 -25.428 1.00 0.00 C ATOM 1255 OE1 GLU A 78 20.030 -18.434 -25.198 1.00 0.00 O ATOM 1256 OE2 GLU A 78 18.738 -16.698 -25.529 1.00 0.00 O ATOM 0 H GLU A 78 21.035 -13.799 -24.313 1.00 0.00 H new ATOM 0 HA GLU A 78 20.335 -16.233 -22.875 1.00 0.00 H new ATOM 0 HB2 GLU A 78 22.769 -15.434 -24.554 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.383 -17.063 -24.035 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.806 -15.354 -26.003 1.00 0.00 H new ATOM 0 HG3 GLU A 78 21.762 -16.774 -26.379 1.00 0.00 H new ATOM 1263 N HIS A 79 22.514 -14.128 -21.709 1.00 0.00 N ATOM 1264 CA HIS A 79 23.441 -13.747 -20.602 1.00 0.00 C ATOM 1265 C HIS A 79 22.689 -13.713 -19.270 1.00 0.00 C ATOM 1266 O HIS A 79 23.298 -13.899 -18.212 1.00 0.00 O ATOM 1267 CB HIS A 79 24.105 -12.347 -20.872 1.00 0.00 C ATOM 1268 CG HIS A 79 25.572 -12.221 -20.532 1.00 0.00 C ATOM 1269 ND1 HIS A 79 26.567 -12.198 -21.494 1.00 0.00 N ATOM 1270 CD2 HIS A 79 26.205 -12.081 -19.344 1.00 0.00 C ATOM 1271 CE1 HIS A 79 27.740 -12.053 -20.911 1.00 0.00 C ATOM 1272 NE2 HIS A 79 27.551 -11.978 -19.607 1.00 0.00 N ATOM 0 H HIS A 79 22.267 -13.342 -22.310 1.00 0.00 H new ATOM 0 HA HIS A 79 24.230 -14.498 -20.554 1.00 0.00 H new ATOM 0 HB2 HIS A 79 23.977 -12.106 -21.927 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.557 -11.594 -20.305 1.00 0.00 H new ATOM 0 HD2 HIS A 79 25.739 -12.055 -18.370 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.694 -12.004 -21.415 1.00 0.00 H new ATOM 0 HE2 HIS A 79 28.284 -11.862 -18.908 1.00 0.00 H new ATOM 1281 N GLY A 80 21.362 -13.494 -19.332 1.00 0.00 N ATOM 1282 CA GLY A 80 20.578 -13.286 -18.111 1.00 0.00 C ATOM 1283 C GLY A 80 20.168 -11.835 -17.953 1.00 0.00 C ATOM 1284 O GLY A 80 20.438 -11.213 -16.919 1.00 0.00 O ATOM 0 H GLY A 80 20.824 -13.458 -20.198 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.689 -13.915 -18.137 1.00 0.00 H new ATOM 0 HA3 GLY A 80 21.163 -13.596 -17.245 1.00 0.00 H new