USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 665 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 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 64 ASN : amide:sc= 1.66 K(o=1.7,f=-0.034) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 103:sc= 0.326 USER MOD Single : A 21 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=-0.0071) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -66:sc= 1.04 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= -0.066 (180deg=-0.919) USER MOD Single : A 37 SER OG : rot 180:sc= -0.543 USER MOD Single : A 40 LYS NZ :NH3+ -138:sc= -0.914 (180deg=-3.22!) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= -1.29 (180deg=-1.64!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.53! C(o=-2.5!,f=-8.4!) USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= -1.53 (180deg=-3.07!) USER MOD Single : A 50 ASN : amide:sc= -0.854 X(o=-0.85,f=-0.9) USER MOD Single : A 53 ASN : amide:sc= -3.47! C(o=-3.5!,f=-6!) USER MOD Single : A 59 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 65 ASN :FLIP amide:sc= -0.0139 F(o=-0.68,f=-0.014) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -19.7! C(o=-22!,f=-20!) USER MOD Single : A 71 THR OG1 : rot -76:sc= 0.723 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 121:sc= -0.112 (180deg=-0.614) USER MOD Single : A 77 ASN : amide:sc= -0.0903 K(o=-0.09,f=-1.1) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0513 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-3.3!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot -130:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 219 N SER A 18 0.723 -7.867 -4.822 1.00 0.00 N ATOM 220 CA SER A 18 0.213 -7.501 -3.505 1.00 0.00 C ATOM 221 C SER A 18 0.731 -6.130 -3.083 1.00 0.00 C ATOM 222 O SER A 18 1.483 -5.485 -3.816 1.00 0.00 O ATOM 223 CB SER A 18 0.616 -8.552 -2.469 1.00 0.00 C ATOM 224 OG SER A 18 -0.345 -8.641 -1.432 1.00 0.00 O ATOM 0 HA SER A 18 -0.875 -7.457 -3.563 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.723 -9.522 -2.954 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.588 -8.297 -2.047 1.00 0.00 H new ATOM 0 HG SER A 18 -0.065 -9.320 -0.784 1.00 0.00 H new ATOM 230 N LEU A 19 0.324 -5.690 -1.898 1.00 0.00 N ATOM 231 CA LEU A 19 0.746 -4.394 -1.376 1.00 0.00 C ATOM 232 C LEU A 19 2.228 -4.154 -1.649 1.00 0.00 C ATOM 233 O LEU A 19 2.634 -3.044 -1.995 1.00 0.00 O ATOM 234 CB LEU A 19 0.473 -4.314 0.126 1.00 0.00 C ATOM 235 CG LEU A 19 -0.996 -4.384 0.546 1.00 0.00 C ATOM 236 CD1 LEU A 19 -1.114 -4.761 2.015 1.00 0.00 C ATOM 237 CD2 LEU A 19 -1.692 -3.058 0.276 1.00 0.00 C ATOM 0 H LEU A 19 -0.298 -6.211 -1.280 1.00 0.00 H new ATOM 0 HA LEU A 19 0.172 -3.620 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.009 -5.126 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.894 -3.382 0.502 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.487 -5.156 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.166 -4.806 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.653 -5.735 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.608 -4.013 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.736 -3.126 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.200 -2.267 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.639 -2.829 -0.788 1.00 0.00 H new ATOM 249 N TYR A 20 3.030 -5.201 -1.493 1.00 0.00 N ATOM 250 CA TYR A 20 4.466 -5.104 -1.722 1.00 0.00 C ATOM 251 C TYR A 20 4.771 -4.163 -2.883 1.00 0.00 C ATOM 252 O TYR A 20 5.607 -3.266 -2.767 1.00 0.00 O ATOM 253 CB TYR A 20 5.053 -6.488 -2.006 1.00 0.00 C ATOM 254 CG TYR A 20 4.427 -7.592 -1.184 1.00 0.00 C ATOM 255 CD1 TYR A 20 4.392 -7.518 0.203 1.00 0.00 C ATOM 256 CD2 TYR A 20 3.870 -8.709 -1.794 1.00 0.00 C ATOM 257 CE1 TYR A 20 3.822 -8.524 0.958 1.00 0.00 C ATOM 258 CE2 TYR A 20 3.296 -9.719 -1.047 1.00 0.00 C ATOM 259 CZ TYR A 20 3.275 -9.623 0.328 1.00 0.00 C ATOM 260 OH TYR A 20 2.704 -10.627 1.077 1.00 0.00 O ATOM 0 H TYR A 20 2.710 -6.127 -1.209 1.00 0.00 H new ATOM 0 HA TYR A 20 4.925 -4.699 -0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.925 -6.717 -3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.125 -6.465 -1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.818 -6.659 0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.886 -8.789 -2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.804 -8.451 2.035 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.866 -10.580 -1.538 1.00 0.00 H new ATOM 0 HH TYR A 20 1.728 -10.547 1.041 1.00 0.00 H new ATOM 270 N HIS A 21 4.085 -4.373 -4.002 1.00 0.00 N ATOM 271 CA HIS A 21 4.280 -3.542 -5.185 1.00 0.00 C ATOM 272 C HIS A 21 4.027 -2.072 -4.865 1.00 0.00 C ATOM 273 O HIS A 21 4.821 -1.202 -5.223 1.00 0.00 O ATOM 274 CB HIS A 21 3.353 -3.998 -6.313 1.00 0.00 C ATOM 275 CG HIS A 21 3.910 -3.753 -7.682 1.00 0.00 C ATOM 276 ND1 HIS A 21 3.264 -2.987 -8.630 1.00 0.00 N ATOM 277 CD2 HIS A 21 5.058 -4.175 -8.259 1.00 0.00 C ATOM 278 CE1 HIS A 21 3.991 -2.951 -9.732 1.00 0.00 C ATOM 279 NE2 HIS A 21 5.085 -3.664 -9.533 1.00 0.00 N ATOM 0 H HIS A 21 3.390 -5.111 -4.114 1.00 0.00 H new ATOM 0 HA HIS A 21 5.315 -3.652 -5.509 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.150 -5.063 -6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.399 -3.480 -6.220 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.813 -4.798 -7.803 1.00 0.00 H new ATOM 0 HE1 HIS A 21 3.735 -2.428 -10.641 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.829 -3.811 -10.215 1.00 0.00 H new ATOM 287 N VAL A 22 2.914 -1.802 -4.190 1.00 0.00 N ATOM 288 CA VAL A 22 2.556 -0.438 -3.821 1.00 0.00 C ATOM 289 C VAL A 22 3.785 0.357 -3.394 1.00 0.00 C ATOM 290 O VAL A 22 3.878 1.559 -3.644 1.00 0.00 O ATOM 291 CB VAL A 22 1.522 -0.418 -2.679 1.00 0.00 C ATOM 292 CG1 VAL A 22 1.224 1.012 -2.253 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.248 -1.134 -3.101 1.00 0.00 C ATOM 0 H VAL A 22 2.245 -2.510 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 22 2.118 0.024 -4.706 1.00 0.00 H new ATOM 0 HB VAL A 22 1.942 -0.947 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.492 1.006 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.142 1.487 -1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.825 1.569 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.471 -1.110 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.178 -0.636 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.478 -2.170 -3.351 1.00 0.00 H new ATOM 303 N LEU A 23 4.726 -0.322 -2.748 1.00 0.00 N ATOM 304 CA LEU A 23 5.952 0.320 -2.285 1.00 0.00 C ATOM 305 C LEU A 23 7.103 0.053 -3.249 1.00 0.00 C ATOM 306 O LEU A 23 7.743 0.982 -3.741 1.00 0.00 O ATOM 307 CB LEU A 23 6.316 -0.180 -0.886 1.00 0.00 C ATOM 308 CG LEU A 23 5.168 -0.253 0.121 1.00 0.00 C ATOM 309 CD1 LEU A 23 5.581 -1.057 1.344 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.723 1.145 0.524 1.00 0.00 C ATOM 0 H LEU A 23 4.664 -1.317 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 23 5.778 1.395 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.754 -1.174 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.089 0.472 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 23 4.326 -0.758 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.751 -1.098 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.850 -2.069 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.439 -0.581 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.905 1.074 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.559 1.676 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.385 1.688 -0.359 1.00 0.00 H new ATOM 322 N GLY A 24 7.361 -1.224 -3.517 1.00 0.00 N ATOM 323 CA GLY A 24 8.434 -1.590 -4.423 1.00 0.00 C ATOM 324 C GLY A 24 9.240 -2.771 -3.920 1.00 0.00 C ATOM 325 O GLY A 24 10.455 -2.831 -4.114 1.00 0.00 O ATOM 0 H GLY A 24 6.846 -2.011 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.014 -1.830 -5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.096 -0.735 -4.562 1.00 0.00 H new ATOM 329 N LEU A 25 8.564 -3.712 -3.271 1.00 0.00 N ATOM 330 CA LEU A 25 9.225 -4.898 -2.737 1.00 0.00 C ATOM 331 C LEU A 25 8.675 -6.166 -3.382 1.00 0.00 C ATOM 332 O LEU A 25 7.777 -6.107 -4.223 1.00 0.00 O ATOM 333 CB LEU A 25 9.046 -4.966 -1.219 1.00 0.00 C ATOM 334 CG LEU A 25 9.580 -3.772 -0.426 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.126 -3.848 1.023 1.00 0.00 C ATOM 336 CD2 LEU A 25 11.098 -3.713 -0.510 1.00 0.00 C ATOM 0 H LEU A 25 7.559 -3.677 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 25 10.288 -4.826 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.983 -5.074 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.538 -5.868 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 25 9.176 -2.859 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.515 -2.990 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.037 -3.841 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.500 -4.767 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.461 -2.858 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.521 -4.629 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.401 -3.610 -1.552 1.00 0.00 H new ATOM 348 N ASP A 26 9.216 -7.311 -2.981 1.00 0.00 N ATOM 349 CA ASP A 26 8.778 -8.594 -3.518 1.00 0.00 C ATOM 350 C ASP A 26 8.054 -9.410 -2.451 1.00 0.00 C ATOM 351 O ASP A 26 8.000 -9.019 -1.285 1.00 0.00 O ATOM 352 CB ASP A 26 9.973 -9.381 -4.056 1.00 0.00 C ATOM 353 CG ASP A 26 10.553 -8.765 -5.314 1.00 0.00 C ATOM 354 OD1 ASP A 26 10.654 -7.522 -5.373 1.00 0.00 O ATOM 355 OD2 ASP A 26 10.905 -9.525 -6.240 1.00 0.00 O ATOM 0 H ASP A 26 9.959 -7.377 -2.285 1.00 0.00 H new ATOM 0 HA ASP A 26 8.084 -8.400 -4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.746 -9.431 -3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.665 -10.405 -4.265 1.00 0.00 H new ATOM 360 N LYS A 27 7.497 -10.545 -2.859 1.00 0.00 N ATOM 361 CA LYS A 27 6.776 -11.417 -1.940 1.00 0.00 C ATOM 362 C LYS A 27 7.689 -11.898 -0.817 1.00 0.00 C ATOM 363 O LYS A 27 7.238 -12.140 0.302 1.00 0.00 O ATOM 364 CB LYS A 27 6.199 -12.619 -2.692 1.00 0.00 C ATOM 365 CG LYS A 27 5.002 -12.275 -3.562 1.00 0.00 C ATOM 366 CD LYS A 27 4.009 -13.423 -3.624 1.00 0.00 C ATOM 367 CE LYS A 27 2.949 -13.302 -2.539 1.00 0.00 C ATOM 368 NZ LYS A 27 2.242 -14.592 -2.309 1.00 0.00 N ATOM 0 H LYS A 27 7.531 -10.883 -3.821 1.00 0.00 H new ATOM 0 HA LYS A 27 5.959 -10.844 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.979 -13.054 -3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.906 -13.382 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.508 -11.387 -3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.341 -12.031 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.529 -13.438 -4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.538 -14.370 -3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.415 -12.973 -1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.226 -12.537 -2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.528 -14.468 -1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.775 -14.894 -3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.928 -15.316 -2.015 1.00 0.00 H new ATOM 382 N ASN A 28 8.975 -12.033 -1.123 1.00 0.00 N ATOM 383 CA ASN A 28 9.952 -12.483 -0.138 1.00 0.00 C ATOM 384 C ASN A 28 10.496 -11.307 0.666 1.00 0.00 C ATOM 385 O ASN A 28 11.563 -11.397 1.274 1.00 0.00 O ATOM 386 CB ASN A 28 11.102 -13.219 -0.829 1.00 0.00 C ATOM 387 CG ASN A 28 10.623 -14.403 -1.646 1.00 0.00 C ATOM 388 OD1 ASN A 28 10.325 -15.467 -1.102 1.00 0.00 O ATOM 389 ND2 ASN A 28 10.546 -14.224 -2.959 1.00 0.00 N ATOM 0 H ASN A 28 9.365 -11.837 -2.045 1.00 0.00 H new ATOM 0 HA ASN A 28 9.451 -13.167 0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.636 -12.525 -1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.813 -13.563 -0.078 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.230 -14.985 -3.560 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.803 -13.325 -3.367 1.00 0.00 H new ATOM 396 N ALA A 29 9.756 -10.203 0.665 1.00 0.00 N ATOM 397 CA ALA A 29 10.163 -9.009 1.396 1.00 0.00 C ATOM 398 C ALA A 29 9.970 -9.193 2.898 1.00 0.00 C ATOM 399 O ALA A 29 8.918 -9.650 3.348 1.00 0.00 O ATOM 400 CB ALA A 29 9.383 -7.799 0.906 1.00 0.00 C ATOM 0 H ALA A 29 8.871 -10.111 0.166 1.00 0.00 H new ATOM 0 HA ALA A 29 11.224 -8.843 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.697 -6.915 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.575 -7.648 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.317 -7.966 1.062 1.00 0.00 H new ATOM 406 N THR A 30 10.991 -8.834 3.669 1.00 0.00 N ATOM 407 CA THR A 30 10.934 -8.961 5.120 1.00 0.00 C ATOM 408 C THR A 30 10.409 -7.683 5.764 1.00 0.00 C ATOM 409 O THR A 30 10.492 -6.603 5.179 1.00 0.00 O ATOM 410 CB THR A 30 12.319 -9.287 5.710 1.00 0.00 C ATOM 411 OG1 THR A 30 13.257 -8.267 5.352 1.00 0.00 O ATOM 412 CG2 THR A 30 12.816 -10.637 5.212 1.00 0.00 C ATOM 0 H THR A 30 11.868 -8.453 3.313 1.00 0.00 H new ATOM 0 HA THR A 30 10.251 -9.782 5.338 1.00 0.00 H new ATOM 0 HB THR A 30 12.226 -9.329 6.795 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.398 -8.278 4.382 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.796 -10.845 5.642 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.115 -11.416 5.512 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.894 -10.618 4.125 1.00 0.00 H new ATOM 420 N SER A 31 9.868 -7.813 6.971 1.00 0.00 N ATOM 421 CA SER A 31 9.326 -6.668 7.693 1.00 0.00 C ATOM 422 C SER A 31 10.277 -5.478 7.617 1.00 0.00 C ATOM 423 O SER A 31 9.856 -4.347 7.372 1.00 0.00 O ATOM 424 CB SER A 31 9.068 -7.036 9.155 1.00 0.00 C ATOM 425 OG SER A 31 10.208 -7.645 9.737 1.00 0.00 O ATOM 0 H SER A 31 9.793 -8.700 7.469 1.00 0.00 H new ATOM 0 HA SER A 31 8.383 -6.388 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.803 -6.141 9.717 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.217 -7.715 9.218 1.00 0.00 H new ATOM 0 HG SER A 31 10.018 -7.869 10.672 1.00 0.00 H new ATOM 431 N ASP A 32 11.562 -5.741 7.827 1.00 0.00 N ATOM 432 CA ASP A 32 12.575 -4.692 7.781 1.00 0.00 C ATOM 433 C ASP A 32 12.560 -3.981 6.431 1.00 0.00 C ATOM 434 O ASP A 32 12.581 -2.752 6.366 1.00 0.00 O ATOM 435 CB ASP A 32 13.961 -5.281 8.046 1.00 0.00 C ATOM 436 CG ASP A 32 14.281 -5.366 9.526 1.00 0.00 C ATOM 437 OD1 ASP A 32 13.869 -6.356 10.166 1.00 0.00 O ATOM 438 OD2 ASP A 32 14.944 -4.443 10.043 1.00 0.00 O ATOM 0 H ASP A 32 11.927 -6.671 8.031 1.00 0.00 H new ATOM 0 HA ASP A 32 12.344 -3.963 8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.019 -6.277 7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.714 -4.669 7.549 1.00 0.00 H new ATOM 443 N ASP A 33 12.526 -4.763 5.357 1.00 0.00 N ATOM 444 CA ASP A 33 12.508 -4.208 4.009 1.00 0.00 C ATOM 445 C ASP A 33 11.279 -3.330 3.798 1.00 0.00 C ATOM 446 O ASP A 33 11.311 -2.377 3.018 1.00 0.00 O ATOM 447 CB ASP A 33 12.531 -5.332 2.972 1.00 0.00 C ATOM 448 CG ASP A 33 13.837 -6.102 2.981 1.00 0.00 C ATOM 449 OD1 ASP A 33 14.904 -5.460 3.081 1.00 0.00 O ATOM 450 OD2 ASP A 33 13.792 -7.346 2.889 1.00 0.00 O ATOM 0 H ASP A 33 12.510 -5.782 5.394 1.00 0.00 H new ATOM 0 HA ASP A 33 13.398 -3.591 3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.707 -6.018 3.166 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.368 -4.911 1.980 1.00 0.00 H new ATOM 455 N ILE A 34 10.197 -3.657 4.497 1.00 0.00 N ATOM 456 CA ILE A 34 8.958 -2.898 4.386 1.00 0.00 C ATOM 457 C ILE A 34 9.044 -1.589 5.163 1.00 0.00 C ATOM 458 O ILE A 34 8.603 -0.542 4.689 1.00 0.00 O ATOM 459 CB ILE A 34 7.753 -3.708 4.900 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.622 -5.018 4.119 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.477 -2.888 4.788 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.638 -5.990 4.731 1.00 0.00 C ATOM 0 H ILE A 34 10.154 -4.443 5.146 1.00 0.00 H new ATOM 0 HA ILE A 34 8.815 -2.681 3.327 1.00 0.00 H new ATOM 0 HB ILE A 34 7.916 -3.948 5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.312 -4.794 3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.600 -5.494 4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.634 -3.474 5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.574 -1.980 5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.306 -2.621 3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.596 -6.895 4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.958 -6.244 5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.649 -5.532 4.768 1.00 0.00 H new ATOM 474 N LYS A 35 9.617 -1.654 6.360 1.00 0.00 N ATOM 475 CA LYS A 35 9.765 -0.474 7.204 1.00 0.00 C ATOM 476 C LYS A 35 10.559 0.612 6.486 1.00 0.00 C ATOM 477 O LYS A 35 10.122 1.760 6.397 1.00 0.00 O ATOM 478 CB LYS A 35 10.459 -0.844 8.517 1.00 0.00 C ATOM 479 CG LYS A 35 9.497 -1.254 9.619 1.00 0.00 C ATOM 480 CD LYS A 35 10.193 -1.329 10.967 1.00 0.00 C ATOM 481 CE LYS A 35 9.362 -2.101 11.981 1.00 0.00 C ATOM 482 NZ LYS A 35 9.741 -1.762 13.381 1.00 0.00 N ATOM 0 H LYS A 35 9.987 -2.513 6.768 1.00 0.00 H new ATOM 0 HA LYS A 35 8.770 -0.088 7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.156 -1.661 8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.049 0.007 8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.676 -0.539 9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.060 -2.223 9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.164 -1.809 10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.378 -0.321 11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.305 -1.881 11.827 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.492 -3.171 11.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.153 -2.308 14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.743 -1.995 13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.593 -0.746 13.544 1.00 0.00 H new ATOM 496 N LYS A 36 11.727 0.243 5.972 1.00 0.00 N ATOM 497 CA LYS A 36 12.582 1.184 5.259 1.00 0.00 C ATOM 498 C LYS A 36 11.842 1.804 4.078 1.00 0.00 C ATOM 499 O LYS A 36 11.493 2.984 4.101 1.00 0.00 O ATOM 500 CB LYS A 36 13.850 0.483 4.768 1.00 0.00 C ATOM 501 CG LYS A 36 14.740 -0.021 5.891 1.00 0.00 C ATOM 502 CD LYS A 36 16.102 -0.453 5.373 1.00 0.00 C ATOM 503 CE LYS A 36 16.064 -1.868 4.818 1.00 0.00 C ATOM 504 NZ LYS A 36 15.671 -1.891 3.382 1.00 0.00 N ATOM 0 H LYS A 36 12.104 -0.703 6.036 1.00 0.00 H new ATOM 0 HA LYS A 36 12.859 1.980 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.568 -0.358 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.420 1.174 4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.866 0.764 6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.257 -0.861 6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.432 0.235 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.834 -0.397 6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.045 -2.330 4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.360 -2.466 5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.131 -2.695 2.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.638 -1.990 3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.968 -1.005 2.926 1.00 0.00 H new ATOM 518 N SER A 37 11.603 1.000 3.047 1.00 0.00 N ATOM 519 CA SER A 37 10.906 1.470 1.856 1.00 0.00 C ATOM 520 C SER A 37 9.822 2.479 2.223 1.00 0.00 C ATOM 521 O SER A 37 9.799 3.597 1.709 1.00 0.00 O ATOM 522 CB SER A 37 10.287 0.291 1.102 1.00 0.00 C ATOM 523 OG SER A 37 9.081 -0.129 1.716 1.00 0.00 O ATOM 0 H SER A 37 11.882 0.020 3.013 1.00 0.00 H new ATOM 0 HA SER A 37 11.633 1.963 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.092 0.578 0.069 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.993 -0.539 1.075 1.00 0.00 H new ATOM 0 HG SER A 37 8.704 -0.882 1.215 1.00 0.00 H new ATOM 529 N TYR A 38 8.926 2.075 3.117 1.00 0.00 N ATOM 530 CA TYR A 38 7.837 2.942 3.552 1.00 0.00 C ATOM 531 C TYR A 38 8.363 4.316 3.954 1.00 0.00 C ATOM 532 O TYR A 38 7.917 5.340 3.435 1.00 0.00 O ATOM 533 CB TYR A 38 7.090 2.306 4.726 1.00 0.00 C ATOM 534 CG TYR A 38 6.253 3.288 5.514 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.274 4.053 4.891 1.00 0.00 C ATOM 536 CD2 TYR A 38 6.440 3.452 6.881 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.507 4.952 5.606 1.00 0.00 C ATOM 538 CE2 TYR A 38 5.677 4.347 7.604 1.00 0.00 C ATOM 539 CZ TYR A 38 4.711 5.095 6.962 1.00 0.00 C ATOM 540 OH TYR A 38 3.950 5.989 7.679 1.00 0.00 O ATOM 0 H TYR A 38 8.932 1.153 3.554 1.00 0.00 H new ATOM 0 HA TYR A 38 7.149 3.067 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.445 1.513 4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.812 1.838 5.395 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.110 3.943 3.829 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.195 2.869 7.387 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.752 5.540 5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.835 4.461 8.666 1.00 0.00 H new ATOM 0 HH TYR A 38 4.220 5.966 8.621 1.00 0.00 H new ATOM 550 N ARG A 39 9.314 4.331 4.882 1.00 0.00 N ATOM 551 CA ARG A 39 9.901 5.579 5.355 1.00 0.00 C ATOM 552 C ARG A 39 10.323 6.460 4.183 1.00 0.00 C ATOM 553 O ARG A 39 10.060 7.662 4.169 1.00 0.00 O ATOM 554 CB ARG A 39 11.107 5.292 6.252 1.00 0.00 C ATOM 555 CG ARG A 39 10.751 4.563 7.537 1.00 0.00 C ATOM 556 CD ARG A 39 11.987 3.991 8.213 1.00 0.00 C ATOM 557 NE ARG A 39 11.719 3.586 9.591 1.00 0.00 N ATOM 558 CZ ARG A 39 11.732 4.426 10.619 1.00 0.00 C ATOM 559 NH1 ARG A 39 11.999 5.711 10.427 1.00 0.00 N ATOM 560 NH2 ARG A 39 11.478 3.982 11.844 1.00 0.00 N ATOM 0 H ARG A 39 9.695 3.493 5.321 1.00 0.00 H new ATOM 0 HA ARG A 39 9.145 6.111 5.933 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.830 4.696 5.695 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.595 6.234 6.502 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.247 5.249 8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.049 3.758 7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.346 3.132 7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.783 4.735 8.202 1.00 0.00 H new ATOM 0 HE ARG A 39 11.511 2.604 9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.195 6.056 9.487 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.008 6.354 11.219 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.273 2.995 11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.488 4.628 12.633 1.00 0.00 H new ATOM 574 N LYS A 40 10.981 5.853 3.200 1.00 0.00 N ATOM 575 CA LYS A 40 11.440 6.580 2.023 1.00 0.00 C ATOM 576 C LYS A 40 10.258 7.105 1.213 1.00 0.00 C ATOM 577 O LYS A 40 10.088 8.315 1.058 1.00 0.00 O ATOM 578 CB LYS A 40 12.311 5.677 1.147 1.00 0.00 C ATOM 579 CG LYS A 40 13.398 4.947 1.918 1.00 0.00 C ATOM 580 CD LYS A 40 13.929 3.755 1.139 1.00 0.00 C ATOM 581 CE LYS A 40 14.850 4.193 0.010 1.00 0.00 C ATOM 582 NZ LYS A 40 14.091 4.785 -1.126 1.00 0.00 N ATOM 0 H LYS A 40 11.208 4.859 3.196 1.00 0.00 H new ATOM 0 HA LYS A 40 12.033 7.430 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.675 4.944 0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.774 6.280 0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.216 5.634 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.002 4.610 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.469 3.090 1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.095 3.186 0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.566 4.923 0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.424 3.336 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.485 4.439 -2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.091 4.508 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.167 5.822 -1.091 1.00 0.00 H new ATOM 596 N LEU A 41 9.445 6.189 0.700 1.00 0.00 N ATOM 597 CA LEU A 41 8.278 6.559 -0.093 1.00 0.00 C ATOM 598 C LEU A 41 7.364 7.498 0.689 1.00 0.00 C ATOM 599 O LEU A 41 6.470 8.125 0.121 1.00 0.00 O ATOM 600 CB LEU A 41 7.504 5.308 -0.513 1.00 0.00 C ATOM 601 CG LEU A 41 8.338 4.168 -1.098 1.00 0.00 C ATOM 602 CD1 LEU A 41 7.469 2.945 -1.349 1.00 0.00 C ATOM 603 CD2 LEU A 41 9.021 4.612 -2.384 1.00 0.00 C ATOM 0 H LEU A 41 9.572 5.184 0.819 1.00 0.00 H new ATOM 0 HA LEU A 41 8.626 7.080 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.966 4.929 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.755 5.599 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 41 9.108 3.899 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.080 2.144 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.027 2.614 -0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.676 3.200 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.610 3.788 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.267 4.909 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.676 5.458 -2.175 1.00 0.00 H new ATOM 615 N ALA A 42 7.597 7.590 1.994 1.00 0.00 N ATOM 616 CA ALA A 42 6.798 8.455 2.853 1.00 0.00 C ATOM 617 C ALA A 42 7.410 9.848 2.951 1.00 0.00 C ATOM 618 O ALA A 42 6.729 10.854 2.745 1.00 0.00 O ATOM 619 CB ALA A 42 6.656 7.840 4.237 1.00 0.00 C ATOM 0 H ALA A 42 8.332 7.076 2.479 1.00 0.00 H new ATOM 0 HA ALA A 42 5.808 8.552 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.057 8.497 4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.166 6.870 4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.643 7.712 4.681 1.00 0.00 H new ATOM 625 N LEU A 43 8.699 9.902 3.268 1.00 0.00 N ATOM 626 CA LEU A 43 9.404 11.172 3.395 1.00 0.00 C ATOM 627 C LEU A 43 9.568 11.842 2.034 1.00 0.00 C ATOM 628 O LEU A 43 9.755 13.056 1.946 1.00 0.00 O ATOM 629 CB LEU A 43 10.775 10.956 4.039 1.00 0.00 C ATOM 630 CG LEU A 43 10.823 11.053 5.564 1.00 0.00 C ATOM 631 CD1 LEU A 43 12.244 10.851 6.067 1.00 0.00 C ATOM 632 CD2 LEU A 43 10.275 12.394 6.031 1.00 0.00 C ATOM 0 H LEU A 43 9.277 9.080 3.442 1.00 0.00 H new ATOM 0 HA LEU A 43 8.810 11.827 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.141 9.972 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.468 11.690 3.626 1.00 0.00 H new ATOM 0 HG LEU A 43 10.197 10.263 5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.259 10.923 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.601 9.867 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.892 11.618 5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.317 12.445 7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.874 13.200 5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.241 12.499 5.702 1.00 0.00 H new ATOM 644 N LYS A 44 9.496 11.043 0.975 1.00 0.00 N ATOM 645 CA LYS A 44 9.633 11.557 -0.382 1.00 0.00 C ATOM 646 C LYS A 44 8.301 12.090 -0.899 1.00 0.00 C ATOM 647 O LYS A 44 8.240 13.168 -1.492 1.00 0.00 O ATOM 648 CB LYS A 44 10.152 10.460 -1.315 1.00 0.00 C ATOM 649 CG LYS A 44 9.596 10.549 -2.726 1.00 0.00 C ATOM 650 CD LYS A 44 8.376 9.661 -2.901 1.00 0.00 C ATOM 651 CE LYS A 44 8.747 8.316 -3.506 1.00 0.00 C ATOM 652 NZ LYS A 44 10.147 7.928 -3.179 1.00 0.00 N ATOM 0 H LYS A 44 9.343 10.036 1.031 1.00 0.00 H new ATOM 0 HA LYS A 44 10.350 12.378 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.240 10.516 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.899 9.487 -0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.330 11.582 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.366 10.257 -3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.896 9.506 -1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.650 10.161 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.063 7.551 -3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.625 8.359 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.313 6.945 -3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.807 8.557 -3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.299 8.010 -2.153 1.00 0.00 H new ATOM 666 N TYR A 45 7.235 11.331 -0.669 1.00 0.00 N ATOM 667 CA TYR A 45 5.904 11.727 -1.113 1.00 0.00 C ATOM 668 C TYR A 45 5.185 12.527 -0.031 1.00 0.00 C ATOM 669 O TYR A 45 3.955 12.550 0.027 1.00 0.00 O ATOM 670 CB TYR A 45 5.079 10.494 -1.484 1.00 0.00 C ATOM 671 CG TYR A 45 5.427 9.917 -2.837 1.00 0.00 C ATOM 672 CD1 TYR A 45 5.434 10.715 -3.974 1.00 0.00 C ATOM 673 CD2 TYR A 45 5.750 8.573 -2.979 1.00 0.00 C ATOM 674 CE1 TYR A 45 5.751 10.192 -5.213 1.00 0.00 C ATOM 675 CE2 TYR A 45 6.069 8.041 -4.214 1.00 0.00 C ATOM 676 CZ TYR A 45 6.068 8.855 -5.327 1.00 0.00 C ATOM 677 OH TYR A 45 6.385 8.330 -6.559 1.00 0.00 O ATOM 0 H TYR A 45 7.267 10.438 -0.177 1.00 0.00 H new ATOM 0 HA TYR A 45 6.016 12.359 -1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.225 9.727 -0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.021 10.758 -1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.187 11.763 -3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.752 7.933 -2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.750 10.827 -6.087 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.318 6.994 -4.307 1.00 0.00 H new ATOM 0 HH TYR A 45 6.584 7.375 -6.466 1.00 0.00 H new ATOM 687 N HIS A 46 5.962 13.184 0.825 1.00 0.00 N ATOM 688 CA HIS A 46 5.401 13.987 1.905 1.00 0.00 C ATOM 689 C HIS A 46 4.492 15.081 1.353 1.00 0.00 C ATOM 690 O HIS A 46 4.775 15.698 0.326 1.00 0.00 O ATOM 691 CB HIS A 46 6.520 14.611 2.740 1.00 0.00 C ATOM 692 CG HIS A 46 6.153 14.815 4.177 1.00 0.00 C ATOM 693 ND1 HIS A 46 5.547 15.963 4.643 1.00 0.00 N ATOM 694 CD2 HIS A 46 6.307 14.009 5.254 1.00 0.00 C ATOM 695 CE1 HIS A 46 5.346 15.855 5.944 1.00 0.00 C ATOM 696 NE2 HIS A 46 5.798 14.679 6.339 1.00 0.00 N ATOM 0 H HIS A 46 6.981 13.176 0.791 1.00 0.00 H new ATOM 0 HA HIS A 46 4.806 13.331 2.541 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.402 13.972 2.686 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.795 15.571 2.304 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.748 13.023 5.259 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.890 16.602 6.577 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.773 14.325 7.295 1.00 0.00 H new ATOM 704 N PRO A 47 3.372 15.328 2.049 1.00 0.00 N ATOM 705 CA PRO A 47 2.399 16.348 1.647 1.00 0.00 C ATOM 706 C PRO A 47 2.937 17.764 1.822 1.00 0.00 C ATOM 707 O PRO A 47 2.380 18.721 1.283 1.00 0.00 O ATOM 708 CB PRO A 47 1.219 16.104 2.591 1.00 0.00 C ATOM 709 CG PRO A 47 1.821 15.457 3.790 1.00 0.00 C ATOM 710 CD PRO A 47 2.970 14.632 3.283 1.00 0.00 C ATOM 0 HA PRO A 47 2.141 16.271 0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.722 17.038 2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.469 15.462 2.129 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.163 16.204 4.506 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.090 14.833 4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.785 14.592 4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.669 13.603 3.084 1.00 0.00 H new ATOM 718 N ASP A 48 4.022 17.890 2.577 1.00 0.00 N ATOM 719 CA ASP A 48 4.637 19.190 2.822 1.00 0.00 C ATOM 720 C ASP A 48 5.538 19.592 1.659 1.00 0.00 C ATOM 721 O ASP A 48 5.675 20.775 1.345 1.00 0.00 O ATOM 722 CB ASP A 48 5.442 19.161 4.121 1.00 0.00 C ATOM 723 CG ASP A 48 6.082 20.499 4.436 1.00 0.00 C ATOM 724 OD1 ASP A 48 5.436 21.539 4.186 1.00 0.00 O ATOM 725 OD2 ASP A 48 7.227 20.506 4.934 1.00 0.00 O ATOM 0 H ASP A 48 4.494 17.108 3.030 1.00 0.00 H new ATOM 0 HA ASP A 48 3.841 19.929 2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.788 18.872 4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.218 18.399 4.047 1.00 0.00 H new ATOM 730 N LYS A 49 6.153 18.600 1.023 1.00 0.00 N ATOM 731 CA LYS A 49 7.042 18.849 -0.106 1.00 0.00 C ATOM 732 C LYS A 49 6.249 19.250 -1.345 1.00 0.00 C ATOM 733 O LYS A 49 6.644 20.153 -2.081 1.00 0.00 O ATOM 734 CB LYS A 49 7.881 17.604 -0.404 1.00 0.00 C ATOM 735 CG LYS A 49 8.750 17.163 0.761 1.00 0.00 C ATOM 736 CD LYS A 49 9.813 18.198 1.087 1.00 0.00 C ATOM 737 CE LYS A 49 10.565 18.638 -0.160 1.00 0.00 C ATOM 738 NZ LYS A 49 9.961 19.854 -0.771 1.00 0.00 N ATOM 0 H LYS A 49 6.052 17.616 1.271 1.00 0.00 H new ATOM 0 HA LYS A 49 7.706 19.672 0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.216 16.786 -0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.517 17.803 -1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.125 16.993 1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.227 16.213 0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.347 19.064 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.516 17.784 1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.606 18.838 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.566 17.827 -0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.695 20.389 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.215 19.573 -1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.551 20.450 -0.024 1.00 0.00 H new ATOM 752 N ASN A 50 5.127 18.572 -1.569 1.00 0.00 N ATOM 753 CA ASN A 50 4.278 18.859 -2.720 1.00 0.00 C ATOM 754 C ASN A 50 3.061 19.680 -2.306 1.00 0.00 C ATOM 755 O ASN A 50 2.057 19.150 -1.828 1.00 0.00 O ATOM 756 CB ASN A 50 3.827 17.556 -3.384 1.00 0.00 C ATOM 757 CG ASN A 50 4.992 16.646 -3.722 1.00 0.00 C ATOM 758 OD1 ASN A 50 5.479 16.637 -4.853 1.00 0.00 O ATOM 759 ND2 ASN A 50 5.444 15.875 -2.740 1.00 0.00 N ATOM 0 H ASN A 50 4.785 17.821 -0.969 1.00 0.00 H new ATOM 0 HA ASN A 50 4.860 19.441 -3.435 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.141 17.031 -2.719 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.274 17.788 -4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.226 15.242 -2.907 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.009 15.916 -1.818 1.00 0.00 H new ATOM 766 N PRO A 51 3.148 21.005 -2.494 1.00 0.00 N ATOM 767 CA PRO A 51 2.063 21.927 -2.149 1.00 0.00 C ATOM 768 C PRO A 51 0.859 21.777 -3.072 1.00 0.00 C ATOM 769 O PRO A 51 0.977 21.915 -4.290 1.00 0.00 O ATOM 770 CB PRO A 51 2.701 23.307 -2.323 1.00 0.00 C ATOM 771 CG PRO A 51 3.799 23.095 -3.307 1.00 0.00 C ATOM 772 CD PRO A 51 4.314 21.704 -3.060 1.00 0.00 C ATOM 0 HA PRO A 51 1.677 21.744 -1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.977 24.035 -2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.085 23.688 -1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.433 23.200 -4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.590 23.833 -3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.657 21.233 -3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.157 21.704 -2.369 1.00 0.00 H new ATOM 780 N ASP A 52 -0.299 21.495 -2.485 1.00 0.00 N ATOM 781 CA ASP A 52 -1.526 21.327 -3.255 1.00 0.00 C ATOM 782 C ASP A 52 -1.273 20.491 -4.506 1.00 0.00 C ATOM 783 O ASP A 52 -1.613 20.899 -5.616 1.00 0.00 O ATOM 784 CB ASP A 52 -2.099 22.691 -3.645 1.00 0.00 C ATOM 785 CG ASP A 52 -2.387 23.564 -2.440 1.00 0.00 C ATOM 786 OD1 ASP A 52 -1.472 24.293 -2.002 1.00 0.00 O ATOM 787 OD2 ASP A 52 -3.528 23.519 -1.934 1.00 0.00 O ATOM 0 H ASP A 52 -0.414 21.378 -1.478 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.249 20.803 -2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.395 23.203 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.018 22.547 -4.213 1.00 0.00 H new ATOM 792 N ASN A 53 -0.673 19.321 -4.317 1.00 0.00 N ATOM 793 CA ASN A 53 -0.373 18.428 -5.431 1.00 0.00 C ATOM 794 C ASN A 53 -1.193 17.145 -5.336 1.00 0.00 C ATOM 795 O ASN A 53 -1.147 16.421 -4.342 1.00 0.00 O ATOM 796 CB ASN A 53 1.120 18.091 -5.453 1.00 0.00 C ATOM 797 CG ASN A 53 1.626 17.801 -6.853 1.00 0.00 C ATOM 798 OD1 ASN A 53 1.067 18.282 -7.839 1.00 0.00 O ATOM 799 ND2 ASN A 53 2.689 17.010 -6.946 1.00 0.00 N ATOM 0 H ASN A 53 -0.385 18.969 -3.404 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.638 18.940 -6.356 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.684 18.923 -5.031 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.304 17.226 -4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.074 16.779 -7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.120 16.634 -6.102 1.00 0.00 H new ATOM 806 N PRO A 54 -1.963 16.856 -6.396 1.00 0.00 N ATOM 807 CA PRO A 54 -2.808 15.659 -6.458 1.00 0.00 C ATOM 808 C PRO A 54 -1.990 14.378 -6.578 1.00 0.00 C ATOM 809 O PRO A 54 -2.229 13.409 -5.858 1.00 0.00 O ATOM 810 CB PRO A 54 -3.644 15.880 -7.721 1.00 0.00 C ATOM 811 CG PRO A 54 -2.818 16.785 -8.568 1.00 0.00 C ATOM 812 CD PRO A 54 -2.067 17.674 -7.616 1.00 0.00 C ATOM 0 HA PRO A 54 -3.403 15.533 -5.553 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.848 14.938 -8.230 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.608 16.330 -7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.131 16.215 -9.193 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.446 17.373 -9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.085 17.941 -8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.601 18.606 -7.431 1.00 0.00 H new ATOM 820 N GLU A 55 -1.025 14.380 -7.492 1.00 0.00 N ATOM 821 CA GLU A 55 -0.172 13.217 -7.705 1.00 0.00 C ATOM 822 C GLU A 55 0.501 12.789 -6.404 1.00 0.00 C ATOM 823 O GLU A 55 0.536 11.605 -6.071 1.00 0.00 O ATOM 824 CB GLU A 55 0.889 13.521 -8.765 1.00 0.00 C ATOM 825 CG GLU A 55 1.953 14.500 -8.297 1.00 0.00 C ATOM 826 CD GLU A 55 3.008 14.763 -9.354 1.00 0.00 C ATOM 827 OE1 GLU A 55 3.544 13.785 -9.915 1.00 0.00 O ATOM 828 OE2 GLU A 55 3.297 15.949 -9.619 1.00 0.00 O ATOM 0 H GLU A 55 -0.814 15.174 -8.097 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.800 12.398 -8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.370 12.589 -9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.400 13.925 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.479 15.442 -8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.432 14.109 -7.400 1.00 0.00 H new ATOM 835 N ALA A 56 1.034 13.763 -5.673 1.00 0.00 N ATOM 836 CA ALA A 56 1.704 13.489 -4.408 1.00 0.00 C ATOM 837 C ALA A 56 0.725 12.944 -3.374 1.00 0.00 C ATOM 838 O ALA A 56 0.922 11.857 -2.832 1.00 0.00 O ATOM 839 CB ALA A 56 2.380 14.748 -3.886 1.00 0.00 C ATOM 0 H ALA A 56 1.015 14.748 -5.935 1.00 0.00 H new ATOM 0 HA ALA A 56 2.464 12.728 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.877 14.529 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.117 15.093 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.632 15.525 -3.731 1.00 0.00 H new ATOM 845 N ALA A 57 -0.330 13.706 -3.106 1.00 0.00 N ATOM 846 CA ALA A 57 -1.341 13.298 -2.138 1.00 0.00 C ATOM 847 C ALA A 57 -1.873 11.904 -2.454 1.00 0.00 C ATOM 848 O ALA A 57 -2.102 11.098 -1.553 1.00 0.00 O ATOM 849 CB ALA A 57 -2.480 14.306 -2.109 1.00 0.00 C ATOM 0 H ALA A 57 -0.507 14.609 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.874 13.265 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.228 13.989 -1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.092 15.285 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.937 14.367 -3.097 1.00 0.00 H new ATOM 855 N ASP A 58 -2.069 11.628 -3.739 1.00 0.00 N ATOM 856 CA ASP A 58 -2.574 10.331 -4.174 1.00 0.00 C ATOM 857 C ASP A 58 -1.692 9.202 -3.651 1.00 0.00 C ATOM 858 O ASP A 58 -2.160 8.312 -2.940 1.00 0.00 O ATOM 859 CB ASP A 58 -2.647 10.274 -5.700 1.00 0.00 C ATOM 860 CG ASP A 58 -3.211 8.961 -6.204 1.00 0.00 C ATOM 861 OD1 ASP A 58 -4.208 8.481 -5.625 1.00 0.00 O ATOM 862 OD2 ASP A 58 -2.656 8.412 -7.179 1.00 0.00 O ATOM 0 H ASP A 58 -1.886 12.285 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.577 10.203 -3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.266 11.095 -6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.649 10.420 -6.114 1.00 0.00 H new ATOM 867 N LYS A 59 -0.414 9.242 -4.009 1.00 0.00 N ATOM 868 CA LYS A 59 0.535 8.223 -3.577 1.00 0.00 C ATOM 869 C LYS A 59 0.508 8.062 -2.061 1.00 0.00 C ATOM 870 O LYS A 59 0.096 7.024 -1.544 1.00 0.00 O ATOM 871 CB LYS A 59 1.949 8.585 -4.037 1.00 0.00 C ATOM 872 CG LYS A 59 2.242 8.189 -5.474 1.00 0.00 C ATOM 873 CD LYS A 59 2.462 6.691 -5.606 1.00 0.00 C ATOM 874 CE LYS A 59 2.317 6.231 -7.048 1.00 0.00 C ATOM 875 NZ LYS A 59 0.891 6.029 -7.425 1.00 0.00 N ATOM 0 H LYS A 59 -0.011 9.970 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 59 0.244 7.276 -4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.093 9.660 -3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.671 8.099 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.413 8.494 -6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.127 8.720 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.456 6.435 -5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.745 6.160 -4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.767 6.969 -7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.865 5.300 -7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.835 5.716 -8.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.468 5.306 -6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.373 6.924 -7.315 1.00 0.00 H new ATOM 889 N PHE A 60 0.949 9.097 -1.353 1.00 0.00 N ATOM 890 CA PHE A 60 0.974 9.070 0.105 1.00 0.00 C ATOM 891 C PHE A 60 -0.208 8.279 0.656 1.00 0.00 C ATOM 892 O PHE A 60 -0.034 7.232 1.280 1.00 0.00 O ATOM 893 CB PHE A 60 0.953 10.495 0.663 1.00 0.00 C ATOM 894 CG PHE A 60 1.543 10.609 2.039 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.753 10.004 2.341 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.889 11.321 3.031 1.00 0.00 C ATOM 897 CE1 PHE A 60 3.298 10.106 3.607 1.00 0.00 C ATOM 898 CE2 PHE A 60 1.429 11.428 4.299 1.00 0.00 C ATOM 899 CZ PHE A 60 2.636 10.820 4.587 1.00 0.00 C ATOM 0 H PHE A 60 1.294 9.964 -1.765 1.00 0.00 H new ATOM 0 HA PHE A 60 1.895 8.578 0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.502 11.150 -0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.077 10.852 0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.276 9.446 1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.054 11.798 2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.240 9.628 3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.908 11.986 5.063 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.061 10.903 5.576 1.00 0.00 H new ATOM 909 N LYS A 61 -1.413 8.787 0.420 1.00 0.00 N ATOM 910 CA LYS A 61 -2.627 8.129 0.890 1.00 0.00 C ATOM 911 C LYS A 61 -2.534 6.618 0.702 1.00 0.00 C ATOM 912 O LYS A 61 -2.936 5.850 1.576 1.00 0.00 O ATOM 913 CB LYS A 61 -3.848 8.672 0.145 1.00 0.00 C ATOM 914 CG LYS A 61 -5.154 8.018 0.559 1.00 0.00 C ATOM 915 CD LYS A 61 -6.341 8.641 -0.156 1.00 0.00 C ATOM 916 CE LYS A 61 -6.603 7.967 -1.494 1.00 0.00 C ATOM 917 NZ LYS A 61 -8.003 8.177 -1.956 1.00 0.00 N ATOM 0 H LYS A 61 -1.575 9.653 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.736 8.340 1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.919 9.746 0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.703 8.529 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.114 6.951 0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.285 8.115 1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.228 8.562 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.156 9.704 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.912 8.359 -2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.406 6.899 -1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.142 7.702 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.663 7.780 -1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.184 9.195 -2.063 1.00 0.00 H new ATOM 931 N GLU A 62 -2.002 6.200 -0.442 1.00 0.00 N ATOM 932 CA GLU A 62 -1.857 4.780 -0.742 1.00 0.00 C ATOM 933 C GLU A 62 -0.730 4.162 0.080 1.00 0.00 C ATOM 934 O GLU A 62 -0.873 3.067 0.624 1.00 0.00 O ATOM 935 CB GLU A 62 -1.585 4.577 -2.234 1.00 0.00 C ATOM 936 CG GLU A 62 -2.845 4.395 -3.064 1.00 0.00 C ATOM 937 CD GLU A 62 -3.948 5.358 -2.670 1.00 0.00 C ATOM 938 OE1 GLU A 62 -4.682 5.059 -1.705 1.00 0.00 O ATOM 939 OE2 GLU A 62 -4.075 6.413 -3.326 1.00 0.00 O ATOM 0 H GLU A 62 -1.665 6.823 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.790 4.282 -0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.031 5.436 -2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.946 3.703 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.605 4.535 -4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.204 3.372 -2.953 1.00 0.00 H new ATOM 946 N ILE A 63 0.390 4.872 0.166 1.00 0.00 N ATOM 947 CA ILE A 63 1.541 4.395 0.922 1.00 0.00 C ATOM 948 C ILE A 63 1.173 4.140 2.380 1.00 0.00 C ATOM 949 O ILE A 63 1.409 3.055 2.909 1.00 0.00 O ATOM 950 CB ILE A 63 2.707 5.399 0.866 1.00 0.00 C ATOM 951 CG1 ILE A 63 2.976 5.821 -0.580 1.00 0.00 C ATOM 952 CG2 ILE A 63 3.957 4.794 1.488 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.165 6.745 -0.728 1.00 0.00 C ATOM 0 H ILE A 63 0.525 5.780 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 63 1.856 3.459 0.460 1.00 0.00 H new ATOM 0 HB ILE A 63 2.432 6.285 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.141 4.930 -1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.090 6.316 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.773 5.516 1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.758 4.538 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.237 3.894 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.297 7.003 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.994 7.653 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.062 6.245 -0.362 1.00 0.00 H new ATOM 965 N ASN A 64 0.593 5.148 3.023 1.00 0.00 N ATOM 966 CA ASN A 64 0.192 5.033 4.420 1.00 0.00 C ATOM 967 C ASN A 64 -0.736 3.838 4.623 1.00 0.00 C ATOM 968 O ASN A 64 -0.541 3.036 5.535 1.00 0.00 O ATOM 969 CB ASN A 64 -0.503 6.316 4.880 1.00 0.00 C ATOM 970 CG ASN A 64 0.438 7.505 4.905 1.00 0.00 C ATOM 971 OD1 ASN A 64 1.376 7.553 5.701 1.00 0.00 O ATOM 972 ND2 ASN A 64 0.190 8.474 4.031 1.00 0.00 N ATOM 0 H ASN A 64 0.390 6.053 2.599 1.00 0.00 H new ATOM 0 HA ASN A 64 1.090 4.879 5.018 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.339 6.532 4.215 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.919 6.164 5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.788 9.300 4.001 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.599 8.393 3.389 1.00 0.00 H new ATOM 979 N ASN A 65 -1.745 3.728 3.765 1.00 0.00 N ATOM 980 CA ASN A 65 -2.704 2.632 3.850 1.00 0.00 C ATOM 981 C ASN A 65 -1.992 1.283 3.806 1.00 0.00 C ATOM 982 O ASN A 65 -2.152 0.456 4.703 1.00 0.00 O ATOM 983 CB ASN A 65 -3.717 2.724 2.708 1.00 0.00 C ATOM 984 CG ASN A 65 -4.774 1.638 2.783 1.00 0.00 C ATOM 985 OD1 ASN A 65 -4.470 0.476 2.216 1.00 0.00 O flip ATOM 986 ND2 ASN A 65 -5.850 1.842 3.345 1.00 0.00 N flip ATOM 0 H ASN A 65 -1.920 4.384 3.003 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.230 2.715 4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.201 3.700 2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.193 2.652 1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.041 2.751 3.767 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.551 1.102 3.389 1.00 0.00 H new ATOM 993 N ALA A 66 -1.206 1.068 2.756 1.00 0.00 N ATOM 994 CA ALA A 66 -0.468 -0.178 2.597 1.00 0.00 C ATOM 995 C ALA A 66 0.401 -0.463 3.817 1.00 0.00 C ATOM 996 O ALA A 66 0.256 -1.498 4.467 1.00 0.00 O ATOM 997 CB ALA A 66 0.387 -0.129 1.339 1.00 0.00 C ATOM 0 H ALA A 66 -1.064 1.741 2.003 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.191 -0.988 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.933 -1.067 1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.253 0.018 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.095 0.697 1.412 1.00 0.00 H new ATOM 1003 N HIS A 67 1.304 0.463 4.124 1.00 0.00 N ATOM 1004 CA HIS A 67 2.197 0.312 5.267 1.00 0.00 C ATOM 1005 C HIS A 67 1.408 -0.011 6.533 1.00 0.00 C ATOM 1006 O HIS A 67 1.748 -0.938 7.268 1.00 0.00 O ATOM 1007 CB HIS A 67 3.016 1.586 5.474 1.00 0.00 C ATOM 1008 CG HIS A 67 4.071 1.455 6.529 1.00 0.00 C ATOM 1009 ND1 HIS A 67 5.248 0.786 6.527 1.00 0.00 N flip ATOM 1010 CD2 HIS A 67 3.976 2.056 7.767 1.00 0.00 C flip ATOM 1011 CE1 HIS A 67 5.837 0.994 7.750 1.00 0.00 C flip ATOM 1012 NE2 HIS A 67 5.049 1.763 8.479 1.00 0.00 N flip ATOM 0 H HIS A 67 1.437 1.326 3.597 1.00 0.00 H new ATOM 0 HA HIS A 67 2.875 -0.516 5.060 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.489 1.861 4.531 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.344 2.401 5.743 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.153 2.670 8.102 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.790 0.594 8.064 1.00 0.00 H new ATOM 0 HE2 HIS A 67 5.237 2.077 9.431 1.00 0.00 H new ATOM 1020 N ALA A 68 0.355 0.760 6.781 1.00 0.00 N ATOM 1021 CA ALA A 68 -0.482 0.555 7.956 1.00 0.00 C ATOM 1022 C ALA A 68 -0.990 -0.882 8.025 1.00 0.00 C ATOM 1023 O ALA A 68 -1.241 -1.410 9.109 1.00 0.00 O ATOM 1024 CB ALA A 68 -1.651 1.529 7.949 1.00 0.00 C ATOM 0 H ALA A 68 0.061 1.533 6.184 1.00 0.00 H new ATOM 0 HA ALA A 68 0.127 0.741 8.841 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.267 1.364 8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.273 2.551 7.956 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.251 1.370 7.053 1.00 0.00 H new ATOM 1030 N ILE A 69 -1.139 -1.508 6.863 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.617 -2.883 6.792 1.00 0.00 C ATOM 1032 C ILE A 69 -0.466 -3.873 6.939 1.00 0.00 C ATOM 1033 O ILE A 69 -0.536 -4.811 7.734 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.349 -3.158 5.465 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.674 -2.393 5.421 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.586 -4.650 5.290 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -4.118 -2.035 4.021 1.00 0.00 C ATOM 0 H ILE A 69 -0.936 -1.085 5.957 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.317 -3.016 7.617 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.723 -2.811 4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.448 -2.996 5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.576 -1.479 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.104 -4.828 4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.629 -5.172 5.282 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.195 -5.021 6.115 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.064 -1.495 4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.363 -1.406 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.248 -2.946 3.436 1.00 0.00 H new ATOM 1049 N LEU A 70 0.595 -3.657 6.168 1.00 0.00 N ATOM 1050 CA LEU A 70 1.763 -4.528 6.212 1.00 0.00 C ATOM 1051 C LEU A 70 2.346 -4.587 7.621 1.00 0.00 C ATOM 1052 O LEU A 70 2.632 -5.665 8.143 1.00 0.00 O ATOM 1053 CB LEU A 70 2.827 -4.039 5.228 1.00 0.00 C ATOM 1054 CG LEU A 70 2.408 -3.983 3.759 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.470 -3.281 2.927 1.00 0.00 C ATOM 1056 CD2 LEU A 70 2.148 -5.384 3.225 1.00 0.00 C ATOM 0 H LEU A 70 0.669 -2.886 5.505 1.00 0.00 H new ATOM 0 HA LEU A 70 1.447 -5.531 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.144 -3.042 5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.697 -4.690 5.312 1.00 0.00 H new ATOM 0 HG LEU A 70 1.483 -3.411 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.154 -3.251 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.607 -2.264 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.412 -3.824 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.851 -5.325 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.056 -5.981 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.351 -5.851 3.803 1.00 0.00 H new ATOM 1068 N THR A 71 2.517 -3.420 8.234 1.00 0.00 N ATOM 1069 CA THR A 71 3.064 -3.338 9.583 1.00 0.00 C ATOM 1070 C THR A 71 2.255 -4.188 10.556 1.00 0.00 C ATOM 1071 O THR A 71 2.817 -4.896 11.391 1.00 0.00 O ATOM 1072 CB THR A 71 3.093 -1.884 10.090 1.00 0.00 C ATOM 1073 OG1 THR A 71 1.768 -1.339 10.092 1.00 0.00 O ATOM 1074 CG2 THR A 71 3.998 -1.025 9.220 1.00 0.00 C ATOM 0 H THR A 71 2.285 -2.518 7.818 1.00 0.00 H new ATOM 0 HA THR A 71 4.084 -3.718 9.534 1.00 0.00 H new ATOM 0 HB THR A 71 3.487 -1.885 11.106 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.504 -1.119 9.174 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.002 -0.003 9.598 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.012 -1.425 9.244 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.629 -1.031 8.194 1.00 0.00 H new ATOM 1082 N ASP A 72 0.934 -4.112 10.443 1.00 0.00 N ATOM 1083 CA ASP A 72 0.047 -4.877 11.313 1.00 0.00 C ATOM 1084 C ASP A 72 0.030 -6.349 10.914 1.00 0.00 C ATOM 1085 O ASP A 72 -0.251 -6.687 9.764 1.00 0.00 O ATOM 1086 CB ASP A 72 -1.371 -4.305 11.261 1.00 0.00 C ATOM 1087 CG ASP A 72 -1.573 -3.168 12.244 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -1.033 -2.069 11.998 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -2.270 -3.377 13.258 1.00 0.00 O ATOM 0 H ASP A 72 0.453 -3.529 9.758 1.00 0.00 H new ATOM 0 HA ASP A 72 0.424 -4.800 12.333 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.580 -3.950 10.252 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.088 -5.098 11.475 1.00 0.00 H new ATOM 1094 N ALA A 73 0.335 -7.220 11.870 1.00 0.00 N ATOM 1095 CA ALA A 73 0.354 -8.655 11.618 1.00 0.00 C ATOM 1096 C ALA A 73 -1.049 -9.180 11.330 1.00 0.00 C ATOM 1097 O ALA A 73 -1.268 -9.888 10.345 1.00 0.00 O ATOM 1098 CB ALA A 73 0.961 -9.391 12.804 1.00 0.00 C ATOM 0 H ALA A 73 0.572 -6.957 12.826 1.00 0.00 H new ATOM 0 HA ALA A 73 0.970 -8.836 10.737 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.969 -10.462 12.602 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.982 -9.044 12.964 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.367 -9.194 13.697 1.00 0.00 H new ATOM 1104 N THR A 74 -1.996 -8.831 12.194 1.00 0.00 N ATOM 1105 CA THR A 74 -3.377 -9.269 12.032 1.00 0.00 C ATOM 1106 C THR A 74 -3.880 -8.991 10.620 1.00 0.00 C ATOM 1107 O THR A 74 -4.428 -9.874 9.960 1.00 0.00 O ATOM 1108 CB THR A 74 -4.309 -8.574 13.043 1.00 0.00 C ATOM 1109 OG1 THR A 74 -3.819 -8.768 14.375 1.00 0.00 O ATOM 1110 CG2 THR A 74 -5.726 -9.116 12.935 1.00 0.00 C ATOM 0 H THR A 74 -1.832 -8.246 13.013 1.00 0.00 H new ATOM 0 HA THR A 74 -3.391 -10.343 12.215 1.00 0.00 H new ATOM 0 HB THR A 74 -4.326 -7.508 12.814 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.416 -8.322 15.011 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.365 -8.610 13.659 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.107 -8.940 11.929 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.723 -10.187 13.140 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.691 -7.758 10.162 1.00 0.00 N ATOM 1119 CA LYS A 75 -4.124 -7.363 8.827 1.00 0.00 C ATOM 1120 C LYS A 75 -3.374 -8.150 7.757 1.00 0.00 C ATOM 1121 O LYS A 75 -3.985 -8.767 6.884 1.00 0.00 O ATOM 1122 CB LYS A 75 -3.904 -5.863 8.620 1.00 0.00 C ATOM 1123 CG LYS A 75 -4.679 -4.994 9.595 1.00 0.00 C ATOM 1124 CD LYS A 75 -5.027 -3.646 8.987 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.360 -3.692 8.256 1.00 0.00 C ATOM 1126 NZ LYS A 75 -7.493 -3.965 9.183 1.00 0.00 N ATOM 0 H LYS A 75 -3.241 -7.015 10.696 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.188 -7.584 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.841 -5.644 8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.193 -5.599 7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.594 -5.507 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.089 -4.845 10.499 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.067 -2.891 9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.241 -3.344 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.528 -2.743 7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.326 -4.464 7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.176 -3.183 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.962 -4.851 8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.133 -4.052 10.155 1.00 0.00 H new ATOM 1140 N ARG A 76 -2.047 -8.125 7.831 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.215 -8.836 6.869 1.00 0.00 C ATOM 1142 C ARG A 76 -1.865 -10.154 6.456 1.00 0.00 C ATOM 1143 O ARG A 76 -1.988 -10.451 5.269 1.00 0.00 O ATOM 1144 CB ARG A 76 0.171 -9.102 7.460 1.00 0.00 C ATOM 1145 CG ARG A 76 1.166 -7.982 7.207 1.00 0.00 C ATOM 1146 CD ARG A 76 2.599 -8.490 7.243 1.00 0.00 C ATOM 1147 NE ARG A 76 2.973 -9.161 6.001 1.00 0.00 N ATOM 1148 CZ ARG A 76 4.226 -9.462 5.677 1.00 0.00 C ATOM 1149 NH1 ARG A 76 5.219 -9.152 6.498 1.00 0.00 N ATOM 1150 NH2 ARG A 76 4.486 -10.073 4.528 1.00 0.00 N ATOM 0 H ARG A 76 -1.526 -7.620 8.547 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.111 -8.209 5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.075 -9.255 8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.564 -10.028 7.040 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.964 -7.527 6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.036 -7.202 7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.276 -7.654 7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.718 -9.180 8.078 1.00 0.00 H new ATOM 0 HE ARG A 76 2.232 -9.412 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.022 -8.681 7.381 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.180 -9.384 6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.724 -10.312 3.893 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.448 -10.304 4.279 1.00 0.00 H new ATOM 1164 N ASN A 77 -2.278 -10.939 7.446 1.00 0.00 N ATOM 1165 CA ASN A 77 -2.914 -12.226 7.186 1.00 0.00 C ATOM 1166 C ASN A 77 -4.275 -12.035 6.524 1.00 0.00 C ATOM 1167 O ASN A 77 -4.636 -12.767 5.602 1.00 0.00 O ATOM 1168 CB ASN A 77 -3.073 -13.012 8.489 1.00 0.00 C ATOM 1169 CG ASN A 77 -3.102 -14.511 8.260 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -2.364 -15.037 7.427 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -3.958 -15.206 9.000 1.00 0.00 N ATOM 0 H ASN A 77 -2.184 -10.707 8.435 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.275 -12.789 6.506 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.251 -12.766 9.161 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.994 -12.705 8.985 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.023 -16.218 8.890 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.551 -14.728 9.679 1.00 0.00 H new ATOM 1178 N ILE A 78 -5.026 -11.048 7.001 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.346 -10.760 6.455 1.00 0.00 C ATOM 1180 C ILE A 78 -6.269 -10.457 4.962 1.00 0.00 C ATOM 1181 O ILE A 78 -7.200 -10.749 4.210 1.00 0.00 O ATOM 1182 CB ILE A 78 -7.007 -9.571 7.175 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.281 -9.921 8.639 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.295 -9.173 6.470 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.687 -8.731 9.480 1.00 0.00 C ATOM 0 H ILE A 78 -4.742 -10.434 7.765 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.953 -11.651 6.612 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.323 -8.723 7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.069 -10.672 8.683 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.387 -10.372 9.070 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.750 -8.331 6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.073 -8.886 5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.986 -10.016 6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.865 -9.054 10.506 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.890 -7.987 9.467 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.599 -8.293 9.074 1.00 0.00 H new ATOM 1197 N TYR A 79 -5.154 -9.872 4.540 1.00 0.00 N ATOM 1198 CA TYR A 79 -4.955 -9.528 3.137 1.00 0.00 C ATOM 1199 C TYR A 79 -4.377 -10.709 2.364 1.00 0.00 C ATOM 1200 O TYR A 79 -4.896 -11.094 1.316 1.00 0.00 O ATOM 1201 CB TYR A 79 -4.027 -8.319 3.013 1.00 0.00 C ATOM 1202 CG TYR A 79 -4.085 -7.647 1.660 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -5.274 -7.115 1.177 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -2.951 -7.546 0.863 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -5.332 -6.501 -0.059 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -3.000 -6.932 -0.374 1.00 0.00 C ATOM 1207 CZ TYR A 79 -4.192 -6.412 -0.830 1.00 0.00 C ATOM 1208 OH TYR A 79 -4.245 -5.801 -2.063 1.00 0.00 O ATOM 0 H TYR A 79 -4.374 -9.626 5.149 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.926 -9.277 2.709 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.287 -7.592 3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.003 -8.636 3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.169 -7.183 1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.016 -7.954 1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.265 -6.093 -0.420 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.109 -6.860 -0.980 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.357 -5.821 -2.477 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.298 -11.280 2.888 1.00 0.00 N ATOM 1219 CA ASP A 80 -2.648 -12.419 2.250 1.00 0.00 C ATOM 1220 C ASP A 80 -3.634 -13.565 2.050 1.00 0.00 C ATOM 1221 O ASP A 80 -3.691 -14.171 0.980 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.460 -12.891 3.089 1.00 0.00 C ATOM 1223 CG ASP A 80 -0.278 -11.946 3.002 1.00 0.00 C ATOM 1224 OD1 ASP A 80 0.150 -11.633 1.871 1.00 0.00 O ATOM 1225 OD2 ASP A 80 0.219 -11.519 4.064 1.00 0.00 O ATOM 0 H ASP A 80 -2.855 -10.972 3.754 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.287 -12.100 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.769 -12.987 4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.154 -13.882 2.755 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.409 -13.860 3.089 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.393 -14.934 3.029 1.00 0.00 C ATOM 1232 C LYS A 81 -6.611 -14.511 2.213 1.00 0.00 C ATOM 1233 O LYS A 81 -6.953 -15.148 1.216 1.00 0.00 O ATOM 1234 CB LYS A 81 -5.827 -15.335 4.441 1.00 0.00 C ATOM 1235 CG LYS A 81 -4.813 -16.206 5.164 1.00 0.00 C ATOM 1236 CD LYS A 81 -5.427 -16.887 6.375 1.00 0.00 C ATOM 1237 CE LYS A 81 -6.254 -18.099 5.973 1.00 0.00 C ATOM 1238 NZ LYS A 81 -5.411 -19.315 5.804 1.00 0.00 N ATOM 0 H LYS A 81 -4.374 -13.370 3.983 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.929 -15.791 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.003 -14.434 5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.776 -15.868 4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.425 -16.960 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.966 -15.596 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.637 -17.195 7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.056 -16.178 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.015 -18.287 6.731 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.778 -17.888 5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.012 -20.119 5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.701 -19.145 5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.931 -19.532 6.701 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.260 -13.434 2.642 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.440 -12.928 1.951 1.00 0.00 C ATOM 1254 C TYR A 82 -8.059 -11.850 0.940 1.00 0.00 C ATOM 1255 O TYR A 82 -8.136 -12.063 -0.269 1.00 0.00 O ATOM 1256 CB TYR A 82 -9.444 -12.365 2.959 1.00 0.00 C ATOM 1257 CG TYR A 82 -9.632 -13.238 4.179 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -9.743 -14.618 4.059 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -9.699 -12.684 5.451 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -9.915 -15.420 5.170 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -9.869 -13.479 6.568 1.00 0.00 C ATOM 1262 CZ TYR A 82 -9.977 -14.846 6.423 1.00 0.00 C ATOM 1263 OH TYR A 82 -10.149 -15.641 7.533 1.00 0.00 O ATOM 0 H TYR A 82 -6.989 -12.895 3.464 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.900 -13.758 1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.111 -11.377 3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.407 -12.233 2.465 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.694 -15.071 3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.617 -11.614 5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.001 -16.491 5.059 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.917 -13.032 7.550 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.170 -15.081 8.337 1.00 0.00 H new ATOM 1273 N GLY A 83 -7.646 -10.692 1.447 1.00 0.00 N ATOM 1274 CA GLY A 83 -7.258 -9.598 0.576 1.00 0.00 C ATOM 1275 C GLY A 83 -8.031 -8.326 0.864 1.00 0.00 C ATOM 1276 O GLY A 83 -8.443 -8.085 1.999 1.00 0.00 O ATOM 0 H GLY A 83 -7.573 -10.492 2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.191 -9.406 0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.418 -9.890 -0.462 1.00 0.00 H new ATOM 1280 N SER A 84 -8.226 -7.508 -0.166 1.00 0.00 N ATOM 1281 CA SER A 84 -8.949 -6.251 -0.016 1.00 0.00 C ATOM 1282 C SER A 84 -10.301 -6.477 0.655 1.00 0.00 C ATOM 1283 O SER A 84 -10.614 -5.858 1.672 1.00 0.00 O ATOM 1284 CB SER A 84 -9.149 -5.588 -1.381 1.00 0.00 C ATOM 1285 OG SER A 84 -9.747 -6.485 -2.301 1.00 0.00 O ATOM 0 H SER A 84 -7.894 -7.693 -1.112 1.00 0.00 H new ATOM 0 HA SER A 84 -8.355 -5.592 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.776 -4.703 -1.271 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.188 -5.251 -1.769 1.00 0.00 H new ATOM 0 HG SER A 84 -9.866 -6.037 -3.165 1.00 0.00 H new ATOM 1291 N LEU A 85 -11.098 -7.370 0.078 1.00 0.00 N ATOM 1292 CA LEU A 85 -12.417 -7.681 0.619 1.00 0.00 C ATOM 1293 C LEU A 85 -12.354 -7.871 2.131 1.00 0.00 C ATOM 1294 O LEU A 85 -13.037 -7.177 2.883 1.00 0.00 O ATOM 1295 CB LEU A 85 -12.977 -8.941 -0.043 1.00 0.00 C ATOM 1296 CG LEU A 85 -14.360 -9.389 0.431 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -15.447 -8.558 -0.233 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -14.568 -10.869 0.145 1.00 0.00 C ATOM 0 H LEU A 85 -10.854 -7.891 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.078 -6.841 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -13.020 -8.773 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.275 -9.758 0.124 1.00 0.00 H new ATOM 0 HG LEU A 85 -14.421 -9.235 1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -16.424 -8.891 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -15.309 -7.507 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -15.388 -8.679 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.557 -11.170 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -14.487 -11.047 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.809 -11.451 0.668 1.00 0.00 H new ATOM 1310 N GLY A 86 -11.528 -8.815 2.570 1.00 0.00 N ATOM 1311 CA GLY A 86 -11.390 -9.079 3.990 1.00 0.00 C ATOM 1312 C GLY A 86 -11.335 -7.806 4.813 1.00 0.00 C ATOM 1313 O GLY A 86 -12.068 -7.659 5.792 1.00 0.00 O ATOM 0 H GLY A 86 -10.951 -9.402 1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.228 -9.690 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.483 -9.659 4.162 1.00 0.00 H new ATOM 1317 N LEU A 87 -10.463 -6.885 4.417 1.00 0.00 N ATOM 1318 CA LEU A 87 -10.314 -5.619 5.126 1.00 0.00 C ATOM 1319 C LEU A 87 -11.667 -4.941 5.321 1.00 0.00 C ATOM 1320 O LEU A 87 -12.042 -4.591 6.440 1.00 0.00 O ATOM 1321 CB LEU A 87 -9.371 -4.690 4.359 1.00 0.00 C ATOM 1322 CG LEU A 87 -7.952 -5.211 4.135 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -7.174 -4.270 3.228 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -7.233 -5.389 5.464 1.00 0.00 C ATOM 0 H LEU A 87 -9.849 -6.991 3.609 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.889 -5.829 6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.816 -4.476 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.309 -3.744 4.897 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.016 -6.183 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.166 -4.658 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.678 -4.193 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.119 -3.283 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.224 -5.761 5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.180 -4.431 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.779 -6.104 6.080 1.00 0.00 H new ATOM 1336 N TYR A 88 -12.395 -4.761 4.225 1.00 0.00 N ATOM 1337 CA TYR A 88 -13.706 -4.125 4.275 1.00 0.00 C ATOM 1338 C TYR A 88 -14.591 -4.781 5.330 1.00 0.00 C ATOM 1339 O TYR A 88 -14.973 -4.151 6.316 1.00 0.00 O ATOM 1340 CB TYR A 88 -14.386 -4.200 2.906 1.00 0.00 C ATOM 1341 CG TYR A 88 -15.896 -4.211 2.979 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -16.589 -3.176 3.595 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -16.630 -5.256 2.432 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -17.968 -3.182 3.665 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -18.010 -5.270 2.495 1.00 0.00 C ATOM 1346 CZ TYR A 88 -18.674 -4.231 3.113 1.00 0.00 C ATOM 1347 OH TYR A 88 -20.049 -4.240 3.180 1.00 0.00 O ATOM 0 H TYR A 88 -12.100 -5.046 3.291 1.00 0.00 H new ATOM 0 HA TYR A 88 -13.563 -3.079 4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -14.066 -3.350 2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -14.049 -5.100 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -16.039 -2.353 4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -16.113 -6.072 1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -18.491 -2.370 4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -18.565 -6.089 2.063 1.00 0.00 H new ATOM 0 HH TYR A 88 -20.393 -5.047 2.743 1.00 0.00 H new ATOM 1357 N VAL A 89 -14.911 -6.053 5.117 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.749 -6.798 6.049 1.00 0.00 C ATOM 1359 C VAL A 89 -15.258 -6.630 7.483 1.00 0.00 C ATOM 1360 O VAL A 89 -16.051 -6.424 8.401 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.779 -8.298 5.702 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.985 -8.970 6.341 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -15.786 -8.495 4.193 1.00 0.00 C ATOM 0 H VAL A 89 -14.602 -6.590 4.306 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.757 -6.392 5.962 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.879 -8.764 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.989 -10.029 6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.932 -8.859 7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.899 -8.504 5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -15.807 -9.561 3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -16.668 -8.015 3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.888 -8.050 3.764 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.945 -6.718 7.667 1.00 0.00 N ATOM 1374 CA ALA A 90 -13.347 -6.573 8.989 1.00 0.00 C ATOM 1375 C ALA A 90 -13.274 -5.107 9.400 1.00 0.00 C ATOM 1376 O ALA A 90 -13.055 -4.791 10.569 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.961 -7.201 9.014 1.00 0.00 C ATOM 0 H ALA A 90 -13.275 -6.889 6.917 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.981 -7.093 9.707 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.527 -7.085 10.007 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.038 -8.261 8.773 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.324 -6.707 8.280 1.00 0.00 H new ATOM 1383 N GLU A 91 -13.457 -4.215 8.431 1.00 0.00 N ATOM 1384 CA GLU A 91 -13.409 -2.782 8.694 1.00 0.00 C ATOM 1385 C GLU A 91 -14.550 -2.359 9.615 1.00 0.00 C ATOM 1386 O GLU A 91 -14.343 -1.621 10.578 1.00 0.00 O ATOM 1387 CB GLU A 91 -13.481 -1.998 7.382 1.00 0.00 C ATOM 1388 CG GLU A 91 -12.754 -0.664 7.430 1.00 0.00 C ATOM 1389 CD GLU A 91 -12.332 -0.180 6.056 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -12.873 -0.695 5.055 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -11.462 0.712 5.982 1.00 0.00 O ATOM 0 H GLU A 91 -13.640 -4.460 7.458 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.464 -2.561 9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.057 -2.605 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.527 -1.824 7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.401 0.082 7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.873 -0.757 8.065 1.00 0.00 H new ATOM 1398 N GLN A 92 -15.755 -2.833 9.311 1.00 0.00 N ATOM 1399 CA GLN A 92 -16.929 -2.503 10.110 1.00 0.00 C ATOM 1400 C GLN A 92 -17.317 -3.668 11.014 1.00 0.00 C ATOM 1401 O GLN A 92 -17.378 -3.526 12.236 1.00 0.00 O ATOM 1402 CB GLN A 92 -18.103 -2.134 9.202 1.00 0.00 C ATOM 1403 CG GLN A 92 -17.685 -1.421 7.926 1.00 0.00 C ATOM 1404 CD GLN A 92 -17.124 -0.037 8.189 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -15.918 0.132 8.370 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -17.998 0.962 8.210 1.00 0.00 N ATOM 0 H GLN A 92 -15.943 -3.446 8.518 1.00 0.00 H new ATOM 0 HA GLN A 92 -16.681 -1.647 10.737 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -18.648 -3.041 8.940 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -18.793 -1.497 9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -16.936 -2.020 7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.545 -1.340 7.261 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -18.989 0.776 8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -17.679 1.915 8.381 1.00 0.00 H new ATOM 1415 N PHE A 93 -17.578 -4.821 10.407 1.00 0.00 N ATOM 1416 CA PHE A 93 -17.961 -6.011 11.157 1.00 0.00 C ATOM 1417 C PHE A 93 -16.853 -6.428 12.119 1.00 0.00 C ATOM 1418 O PHE A 93 -17.079 -6.568 13.321 1.00 0.00 O ATOM 1419 CB PHE A 93 -18.281 -7.162 10.200 1.00 0.00 C ATOM 1420 CG PHE A 93 -19.182 -6.766 9.066 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -19.902 -5.583 9.117 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -19.309 -7.575 7.949 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -20.733 -5.216 8.074 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -20.137 -7.214 6.903 1.00 0.00 C ATOM 1425 CZ PHE A 93 -20.850 -6.032 6.966 1.00 0.00 C ATOM 0 H PHE A 93 -17.531 -4.956 9.397 1.00 0.00 H new ATOM 0 HA PHE A 93 -18.852 -5.772 11.738 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -17.349 -7.555 9.793 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -18.750 -7.970 10.761 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -19.813 -4.941 9.981 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -18.754 -8.500 7.895 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -21.290 -4.292 8.126 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -20.227 -7.854 6.038 1.00 0.00 H new ATOM 0 HZ PHE A 93 -21.498 -5.747 6.150 1.00 0.00 H new ATOM 1435 N GLY A 94 -15.653 -6.625 11.582 1.00 0.00 N ATOM 1436 CA GLY A 94 -14.527 -7.024 12.406 1.00 0.00 C ATOM 1437 C GLY A 94 -13.872 -8.299 11.913 1.00 0.00 C ATOM 1438 O GLY A 94 -14.462 -9.046 11.133 1.00 0.00 O ATOM 0 H GLY A 94 -15.440 -6.515 10.590 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.789 -6.222 12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.864 -7.166 13.433 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.648 -8.547 12.368 1.00 0.00 N ATOM 1443 CA GLU A 95 -11.911 -9.739 11.966 1.00 0.00 C ATOM 1444 C GLU A 95 -12.642 -11.005 12.406 1.00 0.00 C ATOM 1445 O GLU A 95 -12.865 -11.914 11.608 1.00 0.00 O ATOM 1446 CB GLU A 95 -10.501 -9.719 12.559 1.00 0.00 C ATOM 1447 CG GLU A 95 -9.506 -10.575 11.793 1.00 0.00 C ATOM 1448 CD GLU A 95 -8.377 -11.083 12.669 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -8.373 -10.762 13.876 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -7.498 -11.800 12.148 1.00 0.00 O ATOM 0 H GLU A 95 -12.146 -7.939 13.015 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.839 -9.741 10.878 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.140 -8.691 12.582 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.545 -10.065 13.592 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.028 -11.424 11.351 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.089 -9.993 10.971 1.00 0.00 H new ATOM 1457 N GLU A 96 -13.011 -11.054 13.682 1.00 0.00 N ATOM 1458 CA GLU A 96 -13.715 -12.208 14.229 1.00 0.00 C ATOM 1459 C GLU A 96 -14.914 -12.575 13.360 1.00 0.00 C ATOM 1460 O GLU A 96 -15.305 -13.739 13.283 1.00 0.00 O ATOM 1461 CB GLU A 96 -14.176 -11.922 15.660 1.00 0.00 C ATOM 1462 CG GLU A 96 -15.162 -12.944 16.198 1.00 0.00 C ATOM 1463 CD GLU A 96 -14.498 -14.256 16.569 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -13.476 -14.222 17.286 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -15.001 -15.317 16.142 1.00 0.00 O ATOM 0 H GLU A 96 -12.834 -10.309 14.356 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.024 -13.051 14.240 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -13.305 -11.891 16.314 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -14.635 -10.934 15.694 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.663 -12.534 17.075 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.932 -13.130 15.449 1.00 0.00 H new ATOM 1472 N ASN A 97 -15.494 -11.573 12.709 1.00 0.00 N ATOM 1473 CA ASN A 97 -16.650 -11.789 11.846 1.00 0.00 C ATOM 1474 C ASN A 97 -16.235 -12.451 10.536 1.00 0.00 C ATOM 1475 O ASN A 97 -16.996 -13.219 9.947 1.00 0.00 O ATOM 1476 CB ASN A 97 -17.355 -10.461 11.559 1.00 0.00 C ATOM 1477 CG ASN A 97 -18.245 -10.020 12.705 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -19.470 -10.105 12.622 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -17.630 -9.545 13.782 1.00 0.00 N ATOM 0 H ASN A 97 -15.183 -10.603 12.762 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.340 -12.454 12.366 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.608 -9.691 11.365 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.954 -10.559 10.654 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.176 -9.232 14.585 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.612 -9.493 13.806 1.00 0.00 H new ATOM 1486 N VAL A 98 -15.022 -12.147 10.084 1.00 0.00 N ATOM 1487 CA VAL A 98 -14.504 -12.713 8.844 1.00 0.00 C ATOM 1488 C VAL A 98 -14.371 -14.229 8.945 1.00 0.00 C ATOM 1489 O VAL A 98 -14.516 -14.942 7.954 1.00 0.00 O ATOM 1490 CB VAL A 98 -13.133 -12.112 8.483 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -12.645 -12.658 7.150 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -13.210 -10.593 8.450 1.00 0.00 C ATOM 0 H VAL A 98 -14.380 -11.512 10.558 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.219 -12.465 8.060 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.415 -12.400 9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.675 -12.222 6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.550 -13.742 7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.360 -12.402 6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.233 -10.185 8.193 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -13.941 -10.282 7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -13.512 -10.223 9.430 1.00 0.00 H new ATOM 1502 N ASN A 99 -14.095 -14.714 10.152 1.00 0.00 N ATOM 1503 CA ASN A 99 -13.943 -16.146 10.383 1.00 0.00 C ATOM 1504 C ASN A 99 -15.195 -16.903 9.951 1.00 0.00 C ATOM 1505 O ASN A 99 -15.148 -17.743 9.052 1.00 0.00 O ATOM 1506 CB ASN A 99 -13.653 -16.417 11.861 1.00 0.00 C ATOM 1507 CG ASN A 99 -12.213 -16.122 12.231 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -11.853 -14.978 12.509 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -11.380 -17.156 12.236 1.00 0.00 N ATOM 0 H ASN A 99 -13.972 -14.137 10.984 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.103 -16.498 9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.315 -15.808 12.476 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.877 -17.459 12.087 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.398 -17.019 12.477 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.722 -18.087 11.999 1.00 0.00 H new ATOM 1516 N THR A 100 -16.316 -16.600 10.598 1.00 0.00 N ATOM 1517 CA THR A 100 -17.581 -17.251 10.283 1.00 0.00 C ATOM 1518 C THR A 100 -17.978 -17.006 8.832 1.00 0.00 C ATOM 1519 O THR A 100 -18.795 -17.736 8.270 1.00 0.00 O ATOM 1520 CB THR A 100 -18.712 -16.757 11.204 1.00 0.00 C ATOM 1521 OG1 THR A 100 -19.764 -17.727 11.251 1.00 0.00 O ATOM 1522 CG2 THR A 100 -19.265 -15.426 10.716 1.00 0.00 C ATOM 0 H THR A 100 -16.373 -15.907 11.344 1.00 0.00 H new ATOM 0 HA THR A 100 -17.435 -18.319 10.442 1.00 0.00 H new ATOM 0 HB THR A 100 -18.301 -16.617 12.204 1.00 0.00 H new ATOM 0 HG1 THR A 100 -20.479 -17.406 11.840 1.00 0.00 H new ATOM 0 HG21 THR A 100 -20.063 -15.097 11.382 1.00 0.00 H new ATOM 0 HG22 THR A 100 -18.469 -14.682 10.708 1.00 0.00 H new ATOM 0 HG23 THR A 100 -19.661 -15.544 9.707 1.00 0.00 H new ATOM 1530 N TYR A 101 -17.396 -15.975 8.230 1.00 0.00 N ATOM 1531 CA TYR A 101 -17.691 -15.632 6.844 1.00 0.00 C ATOM 1532 C TYR A 101 -16.962 -16.568 5.884 1.00 0.00 C ATOM 1533 O TYR A 101 -17.558 -17.109 4.953 1.00 0.00 O ATOM 1534 CB TYR A 101 -17.296 -14.182 6.559 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.392 -13.186 6.861 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -19.659 -13.328 6.309 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -18.161 -12.101 7.698 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -20.664 -12.420 6.582 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -19.159 -11.188 7.977 1.00 0.00 C ATOM 1540 CZ TYR A 101 -20.409 -11.352 7.417 1.00 0.00 C ATOM 1541 OH TYR A 101 -21.406 -10.444 7.691 1.00 0.00 O ATOM 0 H TYR A 101 -16.717 -15.362 8.680 1.00 0.00 H new ATOM 0 HA TYR A 101 -18.764 -15.746 6.689 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -16.415 -13.931 7.150 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -17.012 -14.091 5.511 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -19.862 -14.163 5.655 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -17.184 -11.969 8.138 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -21.643 -12.546 6.144 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -18.962 -10.351 8.630 1.00 0.00 H new ATOM 0 HH TYR A 101 -21.069 -9.535 7.546 1.00 0.00 H new ATOM 1551 N PHE A 102 -15.667 -16.753 6.119 1.00 0.00 N ATOM 1552 CA PHE A 102 -14.854 -17.623 5.277 1.00 0.00 C ATOM 1553 C PHE A 102 -14.924 -19.069 5.760 1.00 0.00 C ATOM 1554 O PHE A 102 -14.136 -19.915 5.337 1.00 0.00 O ATOM 1555 CB PHE A 102 -13.401 -17.146 5.268 1.00 0.00 C ATOM 1556 CG PHE A 102 -13.194 -15.866 4.510 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -13.865 -14.711 4.879 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -12.330 -15.817 3.428 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -13.677 -13.531 4.184 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -12.138 -14.640 2.730 1.00 0.00 C ATOM 1561 CZ PHE A 102 -12.813 -13.496 3.107 1.00 0.00 C ATOM 0 H PHE A 102 -15.158 -16.312 6.885 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.250 -17.578 4.263 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -13.066 -17.008 6.296 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.775 -17.923 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.543 -14.733 5.720 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.801 -16.709 3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.205 -12.638 4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.460 -14.615 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 102 -12.666 -12.576 2.561 1.00 0.00 H new