USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= -0.0608 X(o=-0.061,f=-0.23) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -0.0334 X(o=-0.033,f=-0.033) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0.0503 USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.39! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 91:sc= -4.31! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -162:sc= 0.912 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 29 THR OG1 : rot 9:sc= 0.692 USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= -1.81! (180deg=-1.93!) USER MOD Single : A 47 SER OG : rot -160:sc= -0.682 USER MOD Single : A 48 GLN : amide:sc= -6.05! C(o=-6!,f=-3.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 126:sc= 0.347! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -1.2! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -6.71! C(o=-6.7!,f=-7.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.623 K(o=0.62,f=-4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -144:sc= -1.52 USER MOD Single : A 88 THR OG1 : rot -48:sc= 0.812 USER MOD Single : A 91 LYS NZ :NH3+ -119:sc= -0.0615 (180deg=-0.68) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.334 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 64.984 5.874 9.781 1.00 0.00 N ATOM 2 CA SER A 1 64.564 5.314 11.098 1.00 0.00 C ATOM 3 C SER A 1 65.659 4.401 11.657 1.00 0.00 C ATOM 4 O SER A 1 65.922 3.336 11.133 1.00 0.00 O ATOM 5 CB SER A 1 63.298 4.512 10.801 1.00 0.00 C ATOM 6 OG SER A 1 62.202 5.090 11.499 1.00 0.00 O ATOM 0 H1 SER A 1 64.234 6.492 9.411 1.00 0.00 H new ATOM 0 H2 SER A 1 65.858 6.425 9.901 1.00 0.00 H new ATOM 0 H3 SER A 1 65.154 5.097 9.111 1.00 0.00 H new ATOM 0 HA SER A 1 64.389 6.092 11.841 1.00 0.00 H new ATOM 0 HB2 SER A 1 63.100 4.507 9.729 1.00 0.00 H new ATOM 0 HB3 SER A 1 63.431 3.474 11.105 1.00 0.00 H new ATOM 0 HG SER A 1 61.387 4.579 11.310 1.00 0.00 H new ATOM 14 N HIS A 2 66.299 4.809 12.719 1.00 0.00 N ATOM 15 CA HIS A 2 67.377 3.964 13.311 1.00 0.00 C ATOM 16 C HIS A 2 67.087 3.697 14.790 1.00 0.00 C ATOM 17 O HIS A 2 66.659 4.572 15.517 1.00 0.00 O ATOM 18 CB HIS A 2 68.656 4.786 13.155 1.00 0.00 C ATOM 19 CG HIS A 2 68.863 5.121 11.703 1.00 0.00 C ATOM 20 ND1 HIS A 2 69.001 4.144 10.730 1.00 0.00 N ATOM 21 CD2 HIS A 2 68.956 6.322 11.044 1.00 0.00 C ATOM 22 CE1 HIS A 2 69.170 4.767 9.550 1.00 0.00 C ATOM 23 NE2 HIS A 2 69.151 6.096 9.684 1.00 0.00 N ATOM 0 H HIS A 2 66.123 5.690 13.202 1.00 0.00 H new ATOM 0 HA HIS A 2 67.455 2.993 12.823 1.00 0.00 H new ATOM 0 HB2 HIS A 2 68.587 5.701 13.744 1.00 0.00 H new ATOM 0 HB3 HIS A 2 69.510 4.225 13.535 1.00 0.00 H new ATOM 0 HD2 HIS A 2 68.888 7.294 11.510 1.00 0.00 H new ATOM 0 HE1 HIS A 2 69.305 4.255 8.609 1.00 0.00 H new ATOM 0 HE2 HIS A 2 69.257 6.795 8.948 1.00 0.00 H new ATOM 31 N MET A 3 67.318 2.494 15.242 1.00 0.00 N ATOM 32 CA MET A 3 67.057 2.173 16.675 1.00 0.00 C ATOM 33 C MET A 3 68.373 2.130 17.455 1.00 0.00 C ATOM 34 O MET A 3 68.390 2.199 18.669 1.00 0.00 O ATOM 35 CB MET A 3 66.397 0.794 16.658 1.00 0.00 C ATOM 36 CG MET A 3 64.921 0.938 16.282 1.00 0.00 C ATOM 37 SD MET A 3 63.896 0.189 17.572 1.00 0.00 S ATOM 38 CE MET A 3 62.288 0.633 16.869 1.00 0.00 C ATOM 0 H MET A 3 67.676 1.720 14.682 1.00 0.00 H new ATOM 0 HA MET A 3 66.427 2.920 17.158 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.904 0.146 15.943 1.00 0.00 H new ATOM 0 HB3 MET A 3 66.489 0.323 17.637 1.00 0.00 H new ATOM 0 HG2 MET A 3 64.665 1.991 16.165 1.00 0.00 H new ATOM 0 HG3 MET A 3 64.730 0.455 15.324 1.00 0.00 H new ATOM 0 HE1 MET A 3 61.493 0.262 17.516 1.00 0.00 H new ATOM 0 HE2 MET A 3 62.213 1.717 16.788 1.00 0.00 H new ATOM 0 HE3 MET A 3 62.188 0.187 15.879 1.00 0.00 H new ATOM 48 N LEU A 4 69.477 2.015 16.768 1.00 0.00 N ATOM 49 CA LEU A 4 70.792 1.966 17.471 1.00 0.00 C ATOM 50 C LEU A 4 71.328 3.385 17.689 1.00 0.00 C ATOM 51 O LEU A 4 71.313 4.209 16.795 1.00 0.00 O ATOM 52 CB LEU A 4 71.713 1.184 16.533 1.00 0.00 C ATOM 53 CG LEU A 4 72.080 -0.154 17.177 1.00 0.00 C ATOM 54 CD1 LEU A 4 72.941 0.094 18.417 1.00 0.00 C ATOM 55 CD2 LEU A 4 70.800 -0.890 17.585 1.00 0.00 C ATOM 0 H LEU A 4 69.526 1.953 15.751 1.00 0.00 H new ATOM 0 HA LEU A 4 70.719 1.499 18.453 1.00 0.00 H new ATOM 0 HB2 LEU A 4 71.218 1.016 15.577 1.00 0.00 H new ATOM 0 HB3 LEU A 4 72.615 1.760 16.328 1.00 0.00 H new ATOM 0 HG LEU A 4 72.638 -0.760 16.463 1.00 0.00 H new ATOM 0 HD11 LEU A 4 73.202 -0.860 18.875 1.00 0.00 H new ATOM 0 HD12 LEU A 4 73.851 0.619 18.129 1.00 0.00 H new ATOM 0 HD13 LEU A 4 72.384 0.700 19.132 1.00 0.00 H new ATOM 0 HD21 LEU A 4 71.059 -1.844 18.044 1.00 0.00 H new ATOM 0 HD22 LEU A 4 70.243 -0.283 18.299 1.00 0.00 H new ATOM 0 HD23 LEU A 4 70.185 -1.067 16.703 1.00 0.00 H new ATOM 67 N GLU A 5 71.801 3.675 18.870 1.00 0.00 N ATOM 68 CA GLU A 5 72.336 5.040 19.144 1.00 0.00 C ATOM 69 C GLU A 5 73.491 5.355 18.190 1.00 0.00 C ATOM 70 O GLU A 5 74.534 4.732 18.232 1.00 0.00 O ATOM 71 CB GLU A 5 72.832 4.989 20.589 1.00 0.00 C ATOM 72 CG GLU A 5 71.739 5.511 21.523 1.00 0.00 C ATOM 73 CD GLU A 5 72.356 5.902 22.866 1.00 0.00 C ATOM 74 OE1 GLU A 5 73.432 5.410 23.167 1.00 0.00 O ATOM 75 OE2 GLU A 5 71.745 6.687 23.571 1.00 0.00 O ATOM 0 H GLU A 5 71.840 3.027 19.657 1.00 0.00 H new ATOM 0 HA GLU A 5 71.584 5.816 18.999 1.00 0.00 H new ATOM 0 HB2 GLU A 5 73.097 3.966 20.858 1.00 0.00 H new ATOM 0 HB3 GLU A 5 73.735 5.591 20.696 1.00 0.00 H new ATOM 0 HG2 GLU A 5 71.244 6.372 21.074 1.00 0.00 H new ATOM 0 HG3 GLU A 5 70.977 4.746 21.670 1.00 0.00 H new ATOM 82 N ASP A 6 73.314 6.319 17.327 1.00 0.00 N ATOM 83 CA ASP A 6 74.399 6.673 16.370 1.00 0.00 C ATOM 84 C ASP A 6 75.704 6.951 17.123 1.00 0.00 C ATOM 85 O ASP A 6 75.689 7.269 18.296 1.00 0.00 O ATOM 86 CB ASP A 6 73.906 7.939 15.667 1.00 0.00 C ATOM 87 CG ASP A 6 72.487 7.711 15.144 1.00 0.00 C ATOM 88 OD1 ASP A 6 72.314 6.826 14.322 1.00 0.00 O ATOM 89 OD2 ASP A 6 71.597 8.426 15.574 1.00 0.00 O ATOM 0 H ASP A 6 72.464 6.876 17.244 1.00 0.00 H new ATOM 0 HA ASP A 6 74.607 5.867 15.666 1.00 0.00 H new ATOM 0 HB2 ASP A 6 73.919 8.781 16.359 1.00 0.00 H new ATOM 0 HB3 ASP A 6 74.572 8.193 14.843 1.00 0.00 H new ATOM 94 N PRO A 7 76.793 6.820 16.414 1.00 0.00 N ATOM 95 CA PRO A 7 78.128 7.059 17.016 1.00 0.00 C ATOM 96 C PRO A 7 78.354 8.559 17.234 1.00 0.00 C ATOM 97 O PRO A 7 77.420 9.334 17.296 1.00 0.00 O ATOM 98 CB PRO A 7 79.094 6.509 15.969 1.00 0.00 C ATOM 99 CG PRO A 7 78.347 6.579 14.675 1.00 0.00 C ATOM 100 CD PRO A 7 76.882 6.441 15.001 1.00 0.00 C ATOM 0 HA PRO A 7 78.251 6.589 17.992 1.00 0.00 H new ATOM 0 HB2 PRO A 7 80.009 7.099 15.928 1.00 0.00 H new ATOM 0 HB3 PRO A 7 79.386 5.485 16.201 1.00 0.00 H new ATOM 0 HG2 PRO A 7 78.542 7.524 14.169 1.00 0.00 H new ATOM 0 HG3 PRO A 7 78.668 5.785 14.001 1.00 0.00 H new ATOM 0 HD2 PRO A 7 76.271 7.091 14.375 1.00 0.00 H new ATOM 0 HD3 PRO A 7 76.532 5.422 14.839 1.00 0.00 H new ATOM 108 N CYS A 8 79.585 8.974 17.353 1.00 0.00 N ATOM 109 CA CYS A 8 79.866 10.424 17.566 1.00 0.00 C ATOM 110 C CYS A 8 79.135 11.262 16.515 1.00 0.00 C ATOM 111 O CYS A 8 78.554 12.284 16.819 1.00 0.00 O ATOM 112 CB CYS A 8 81.379 10.562 17.405 1.00 0.00 C ATOM 113 SG CYS A 8 82.215 9.608 18.697 1.00 0.00 S ATOM 0 H CYS A 8 80.408 8.373 17.312 1.00 0.00 H new ATOM 0 HA CYS A 8 79.528 10.772 18.542 1.00 0.00 H new ATOM 0 HB2 CYS A 8 81.684 10.207 16.421 1.00 0.00 H new ATOM 0 HB3 CYS A 8 81.668 11.611 17.469 1.00 0.00 H new ATOM 0 HG CYS A 8 83.502 9.724 18.558 1.00 0.00 H new ATOM 119 N THR A 9 79.152 10.829 15.283 1.00 0.00 N ATOM 120 CA THR A 9 78.458 11.584 14.212 1.00 0.00 C ATOM 121 C THR A 9 78.736 10.941 12.853 1.00 0.00 C ATOM 122 O THR A 9 77.864 10.359 12.238 1.00 0.00 O ATOM 123 CB THR A 9 79.035 13.002 14.263 1.00 0.00 C ATOM 124 OG1 THR A 9 80.250 12.996 14.999 1.00 0.00 O ATOM 125 CG2 THR A 9 78.032 13.942 14.934 1.00 0.00 C ATOM 0 H THR A 9 79.622 9.978 14.975 1.00 0.00 H new ATOM 0 HA THR A 9 77.377 11.588 14.352 1.00 0.00 H new ATOM 0 HB THR A 9 79.230 13.349 13.248 1.00 0.00 H new ATOM 0 HG1 THR A 9 80.618 13.904 15.030 1.00 0.00 H new ATOM 0 HG21 THR A 9 78.445 14.950 14.969 1.00 0.00 H new ATOM 0 HG22 THR A 9 77.103 13.950 14.364 1.00 0.00 H new ATOM 0 HG23 THR A 9 77.832 13.597 15.948 1.00 0.00 H new ATOM 133 N SER A 10 79.947 11.041 12.384 1.00 0.00 N ATOM 134 CA SER A 10 80.296 10.437 11.064 1.00 0.00 C ATOM 135 C SER A 10 79.168 10.676 10.057 1.00 0.00 C ATOM 136 O SER A 10 78.475 9.761 9.658 1.00 0.00 O ATOM 137 CB SER A 10 80.457 8.944 11.343 1.00 0.00 C ATOM 138 OG SER A 10 81.720 8.508 10.853 1.00 0.00 O ATOM 0 H SER A 10 80.715 11.516 12.858 1.00 0.00 H new ATOM 0 HA SER A 10 81.199 10.872 10.637 1.00 0.00 H new ATOM 0 HB2 SER A 10 80.383 8.752 12.413 1.00 0.00 H new ATOM 0 HB3 SER A 10 79.655 8.384 10.863 1.00 0.00 H new ATOM 0 HG SER A 10 81.827 7.550 11.032 1.00 0.00 H new ATOM 144 N LYS A 11 78.976 11.899 9.645 1.00 0.00 N ATOM 145 CA LYS A 11 77.891 12.193 8.665 1.00 0.00 C ATOM 146 C LYS A 11 78.406 12.014 7.236 1.00 0.00 C ATOM 147 O LYS A 11 78.008 11.105 6.534 1.00 0.00 O ATOM 148 CB LYS A 11 77.510 13.651 8.920 1.00 0.00 C ATOM 149 CG LYS A 11 75.988 13.767 9.039 1.00 0.00 C ATOM 150 CD LYS A 11 75.599 15.238 9.200 1.00 0.00 C ATOM 151 CE LYS A 11 74.823 15.699 7.963 1.00 0.00 C ATOM 152 NZ LYS A 11 74.323 17.058 8.309 1.00 0.00 N ATOM 0 H LYS A 11 79.522 12.707 9.944 1.00 0.00 H new ATOM 0 HA LYS A 11 77.038 11.524 8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 11 77.985 14.008 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 11 77.871 14.280 8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 11 75.510 13.348 8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 11 75.634 13.191 9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 11 74.990 15.368 10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 11 76.492 15.849 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 11 75.464 15.726 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 11 74.000 15.021 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 73.780 17.442 7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 73.710 16.999 9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 75.129 17.683 8.512 1.00 0.00 H new ATOM 166 N LYS A 12 79.286 12.871 6.797 1.00 0.00 N ATOM 167 CA LYS A 12 79.818 12.738 5.411 1.00 0.00 C ATOM 168 C LYS A 12 80.947 11.710 5.376 1.00 0.00 C ATOM 169 O LYS A 12 81.607 11.528 4.373 1.00 0.00 O ATOM 170 CB LYS A 12 80.337 14.129 5.044 1.00 0.00 C ATOM 171 CG LYS A 12 79.274 15.177 5.381 1.00 0.00 C ATOM 172 CD LYS A 12 79.833 16.576 5.115 1.00 0.00 C ATOM 173 CE LYS A 12 79.393 17.522 6.234 1.00 0.00 C ATOM 174 NZ LYS A 12 80.382 18.637 6.206 1.00 0.00 N ATOM 0 H LYS A 12 79.658 13.654 7.335 1.00 0.00 H new ATOM 0 HA LYS A 12 79.058 12.395 4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 12 81.257 14.341 5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 12 80.579 14.170 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 12 78.381 15.011 4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 12 78.976 15.085 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 12 80.921 16.540 5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 12 79.478 16.944 4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 12 78.380 17.888 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 12 79.394 17.018 7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 80.147 19.328 6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 81.336 18.259 6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 80.354 19.103 5.276 1.00 0.00 H new ATOM 188 N VAL A 13 81.159 11.025 6.461 1.00 0.00 N ATOM 189 CA VAL A 13 82.229 9.991 6.494 1.00 0.00 C ATOM 190 C VAL A 13 81.592 8.610 6.374 1.00 0.00 C ATOM 191 O VAL A 13 82.187 7.679 5.869 1.00 0.00 O ATOM 192 CB VAL A 13 82.914 10.161 7.850 1.00 0.00 C ATOM 193 CG1 VAL A 13 83.734 8.910 8.170 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.841 11.378 7.802 1.00 0.00 C ATOM 0 H VAL A 13 80.636 11.136 7.330 1.00 0.00 H new ATOM 0 HA VAL A 13 82.944 10.094 5.678 1.00 0.00 H new ATOM 0 HB VAL A 13 82.159 10.307 8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.222 9.032 9.137 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.076 8.042 8.203 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.490 8.763 7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 13 84.330 11.501 8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 13 84.595 11.230 7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.258 12.271 7.574 1.00 0.00 H new ATOM 204 N ARG A 14 80.375 8.479 6.822 1.00 0.00 N ATOM 205 CA ARG A 14 79.682 7.166 6.721 1.00 0.00 C ATOM 206 C ARG A 14 79.077 7.021 5.326 1.00 0.00 C ATOM 207 O ARG A 14 79.060 5.950 4.752 1.00 0.00 O ATOM 208 CB ARG A 14 78.582 7.217 7.781 1.00 0.00 C ATOM 209 CG ARG A 14 78.785 6.084 8.787 1.00 0.00 C ATOM 210 CD ARG A 14 77.722 6.185 9.882 1.00 0.00 C ATOM 211 NE ARG A 14 77.591 4.802 10.421 1.00 0.00 N ATOM 212 CZ ARG A 14 76.526 4.463 11.094 1.00 0.00 C ATOM 213 NH1 ARG A 14 76.265 5.038 12.236 1.00 0.00 N ATOM 214 NH2 ARG A 14 75.721 3.549 10.625 1.00 0.00 N ATOM 0 H ARG A 14 79.830 9.225 7.254 1.00 0.00 H new ATOM 0 HA ARG A 14 80.352 6.320 6.878 1.00 0.00 H new ATOM 0 HB2 ARG A 14 78.601 8.179 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 14 77.604 7.127 7.309 1.00 0.00 H new ATOM 0 HG2 ARG A 14 78.716 5.119 8.285 1.00 0.00 H new ATOM 0 HG3 ARG A 14 79.781 6.145 9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 14 78.023 6.885 10.661 1.00 0.00 H new ATOM 0 HD3 ARG A 14 76.774 6.543 9.480 1.00 0.00 H new ATOM 0 HE ARG A 14 78.334 4.121 10.264 1.00 0.00 H new ATOM 0 HH11 ARG A 14 76.894 5.753 12.603 1.00 0.00 H new ATOM 0 HH12 ARG A 14 75.432 4.773 12.762 1.00 0.00 H new ATOM 0 HH21 ARG A 14 75.925 3.100 9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 14 74.888 3.284 11.151 1.00 0.00 H new ATOM 228 N ALA A 15 78.584 8.096 4.774 1.00 0.00 N ATOM 229 CA ALA A 15 77.981 8.027 3.415 1.00 0.00 C ATOM 230 C ALA A 15 79.035 7.614 2.385 1.00 0.00 C ATOM 231 O ALA A 15 78.716 7.116 1.325 1.00 0.00 O ATOM 232 CB ALA A 15 77.480 9.443 3.130 1.00 0.00 C ATOM 0 H ALA A 15 78.573 9.020 5.207 1.00 0.00 H new ATOM 0 HA ALA A 15 77.179 7.291 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.020 9.474 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.744 9.727 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.318 10.139 3.162 1.00 0.00 H new ATOM 238 N ALA A 16 80.291 7.820 2.684 1.00 0.00 N ATOM 239 CA ALA A 16 81.353 7.438 1.709 1.00 0.00 C ATOM 240 C ALA A 16 81.475 5.922 1.622 1.00 0.00 C ATOM 241 O ALA A 16 81.357 5.340 0.564 1.00 0.00 O ATOM 242 CB ALA A 16 82.641 8.057 2.255 1.00 0.00 C ATOM 0 H ALA A 16 80.625 8.233 3.555 1.00 0.00 H new ATOM 0 HA ALA A 16 81.131 7.791 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 16 83.470 7.818 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.526 9.139 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.846 7.655 3.247 1.00 0.00 H new ATOM 248 N ARG A 17 81.697 5.275 2.725 1.00 0.00 N ATOM 249 CA ARG A 17 81.812 3.793 2.700 1.00 0.00 C ATOM 250 C ARG A 17 80.428 3.172 2.878 1.00 0.00 C ATOM 251 O ARG A 17 80.292 2.057 3.340 1.00 0.00 O ATOM 252 CB ARG A 17 82.719 3.439 3.881 1.00 0.00 C ATOM 253 CG ARG A 17 82.131 4.019 5.169 1.00 0.00 C ATOM 254 CD ARG A 17 83.135 4.986 5.798 1.00 0.00 C ATOM 255 NE ARG A 17 82.637 5.209 7.183 1.00 0.00 N ATOM 256 CZ ARG A 17 83.472 5.533 8.132 1.00 0.00 C ATOM 257 NH1 ARG A 17 84.681 5.921 7.833 1.00 0.00 N ATOM 258 NH2 ARG A 17 83.098 5.470 9.380 1.00 0.00 N ATOM 0 H ARG A 17 81.804 5.706 3.643 1.00 0.00 H new ATOM 0 HA ARG A 17 82.218 3.420 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.815 2.357 3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.721 3.835 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 17 81.197 4.537 4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.896 3.216 5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 17 84.140 4.564 5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 17 83.185 5.921 5.241 1.00 0.00 H new ATOM 0 HE ARG A 17 81.643 5.109 7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 17 84.974 5.971 6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 17 85.333 6.174 8.575 1.00 0.00 H new ATOM 0 HH21 ARG A 17 82.153 5.167 9.614 1.00 0.00 H new ATOM 0 HH22 ARG A 17 83.751 5.723 10.122 1.00 0.00 H new ATOM 272 N THR A 18 79.395 3.890 2.524 1.00 0.00 N ATOM 273 CA THR A 18 78.021 3.332 2.687 1.00 0.00 C ATOM 274 C THR A 18 77.172 3.580 1.435 1.00 0.00 C ATOM 275 O THR A 18 77.345 4.558 0.735 1.00 0.00 O ATOM 276 CB THR A 18 77.433 4.077 3.885 1.00 0.00 C ATOM 277 OG1 THR A 18 78.212 3.800 5.040 1.00 0.00 O ATOM 278 CG2 THR A 18 75.992 3.620 4.117 1.00 0.00 C ATOM 0 H THR A 18 79.442 4.831 2.132 1.00 0.00 H new ATOM 0 HA THR A 18 78.040 2.253 2.837 1.00 0.00 H new ATOM 0 HB THR A 18 77.443 5.149 3.687 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.922 4.470 5.124 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.575 4.152 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.395 3.833 3.230 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.978 2.548 4.315 1.00 0.00 H new ATOM 286 N LEU A 19 76.250 2.698 1.162 1.00 0.00 N ATOM 287 CA LEU A 19 75.370 2.866 -0.034 1.00 0.00 C ATOM 288 C LEU A 19 74.002 2.233 0.236 1.00 0.00 C ATOM 289 O LEU A 19 73.808 1.549 1.221 1.00 0.00 O ATOM 290 CB LEU A 19 76.079 2.149 -1.189 1.00 0.00 C ATOM 291 CG LEU A 19 76.753 0.869 -0.692 1.00 0.00 C ATOM 292 CD1 LEU A 19 76.219 -0.325 -1.484 1.00 0.00 C ATOM 293 CD2 LEU A 19 78.265 0.980 -0.897 1.00 0.00 C ATOM 0 H LEU A 19 76.066 1.863 1.718 1.00 0.00 H new ATOM 0 HA LEU A 19 75.203 3.917 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.359 1.908 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.823 2.810 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 19 76.538 0.730 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.698 -1.239 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 19 75.141 -0.403 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.437 -0.186 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.748 0.069 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.479 1.117 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.646 1.834 -0.337 1.00 0.00 H new ATOM 305 N LEU A 20 73.049 2.466 -0.624 1.00 0.00 N ATOM 306 CA LEU A 20 71.690 1.885 -0.406 1.00 0.00 C ATOM 307 C LEU A 20 71.393 0.786 -1.431 1.00 0.00 C ATOM 308 O LEU A 20 71.427 1.013 -2.623 1.00 0.00 O ATOM 309 CB LEU A 20 70.726 3.059 -0.596 1.00 0.00 C ATOM 310 CG LEU A 20 69.364 2.710 0.004 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.706 1.607 -0.827 1.00 0.00 C ATOM 312 CD2 LEU A 20 69.549 2.221 1.442 1.00 0.00 C ATOM 0 H LEU A 20 73.150 3.032 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 20 71.600 1.426 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.127 3.952 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.619 3.286 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 20 68.729 3.596 -0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.735 1.359 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 20 68.572 1.954 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.341 0.721 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 20 68.578 1.972 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 20 70.185 1.336 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 20 70.016 3.006 2.036 1.00 0.00 H new ATOM 324 N ALA A 21 71.087 -0.399 -0.977 1.00 0.00 N ATOM 325 CA ALA A 21 70.770 -1.502 -1.930 1.00 0.00 C ATOM 326 C ALA A 21 69.273 -1.491 -2.247 1.00 0.00 C ATOM 327 O ALA A 21 68.450 -1.273 -1.380 1.00 0.00 O ATOM 328 CB ALA A 21 71.157 -2.786 -1.196 1.00 0.00 C ATOM 0 H ALA A 21 71.043 -0.651 0.010 1.00 0.00 H new ATOM 0 HA ALA A 21 71.302 -1.405 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.953 -3.646 -1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 21 72.219 -2.760 -0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.576 -2.870 -0.278 1.00 0.00 H new ATOM 334 N LYS A 22 68.907 -1.717 -3.479 1.00 0.00 N ATOM 335 CA LYS A 22 67.459 -1.707 -3.833 1.00 0.00 C ATOM 336 C LYS A 22 67.164 -2.730 -4.933 1.00 0.00 C ATOM 337 O LYS A 22 68.023 -3.487 -5.339 1.00 0.00 O ATOM 338 CB LYS A 22 67.184 -0.290 -4.333 1.00 0.00 C ATOM 339 CG LYS A 22 65.814 0.173 -3.831 1.00 0.00 C ATOM 340 CD LYS A 22 65.129 1.009 -4.914 1.00 0.00 C ATOM 341 CE LYS A 22 63.784 1.518 -4.393 1.00 0.00 C ATOM 342 NZ LYS A 22 62.818 1.250 -5.494 1.00 0.00 N ATOM 0 H LYS A 22 69.544 -1.907 -4.252 1.00 0.00 H new ATOM 0 HA LYS A 22 66.830 -1.973 -2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.961 0.388 -3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.211 -0.266 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.197 -0.689 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 22 65.928 0.761 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.764 1.850 -5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 22 64.980 0.409 -5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 22 63.494 1.001 -3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 22 63.829 2.581 -4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 61.871 1.573 -5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.116 1.761 -6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 62.791 0.229 -5.692 1.00 0.00 H new ATOM 356 N ASN A 23 65.953 -2.753 -5.417 1.00 0.00 N ATOM 357 CA ASN A 23 65.592 -3.723 -6.490 1.00 0.00 C ATOM 358 C ASN A 23 65.656 -5.154 -5.951 1.00 0.00 C ATOM 359 O ASN A 23 65.634 -6.111 -6.698 1.00 0.00 O ATOM 360 CB ASN A 23 66.639 -3.515 -7.584 1.00 0.00 C ATOM 361 CG ASN A 23 66.020 -3.816 -8.950 1.00 0.00 C ATOM 362 OD1 ASN A 23 65.828 -2.925 -9.753 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.694 -5.044 -9.250 1.00 0.00 N ATOM 0 H ASN A 23 65.195 -2.140 -5.115 1.00 0.00 H new ATOM 0 HA ASN A 23 64.579 -3.568 -6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 23 67.008 -2.490 -7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.496 -4.166 -7.410 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.279 -5.254 -10.158 1.00 0.00 H new ATOM 0 HD22 ASN A 23 65.855 -5.793 -8.577 1.00 0.00 H new ATOM 370 N LEU A 24 65.730 -5.305 -4.658 1.00 0.00 N ATOM 371 CA LEU A 24 65.792 -6.674 -4.072 1.00 0.00 C ATOM 372 C LEU A 24 64.412 -7.332 -4.132 1.00 0.00 C ATOM 373 O LEU A 24 63.466 -6.768 -4.645 1.00 0.00 O ATOM 374 CB LEU A 24 66.225 -6.468 -2.620 1.00 0.00 C ATOM 375 CG LEU A 24 67.541 -5.691 -2.582 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.481 -4.638 -1.474 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.695 -6.656 -2.302 1.00 0.00 C ATOM 0 H LEU A 24 65.750 -4.541 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 24 66.481 -7.324 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.454 -5.924 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.346 -7.432 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 24 67.700 -5.201 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.419 -4.084 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.659 -3.950 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.322 -5.129 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.634 -6.103 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.535 -7.146 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.740 -7.408 -3.090 1.00 0.00 H new ATOM 389 N SER A 25 64.288 -8.522 -3.611 1.00 0.00 N ATOM 390 CA SER A 25 62.969 -9.212 -3.639 1.00 0.00 C ATOM 391 C SER A 25 62.553 -9.599 -2.218 1.00 0.00 C ATOM 392 O SER A 25 63.247 -9.323 -1.260 1.00 0.00 O ATOM 393 CB SER A 25 63.193 -10.460 -4.491 1.00 0.00 C ATOM 394 OG SER A 25 62.338 -11.499 -4.036 1.00 0.00 O ATOM 0 H SER A 25 65.043 -9.045 -3.168 1.00 0.00 H new ATOM 0 HA SER A 25 62.178 -8.581 -4.044 1.00 0.00 H new ATOM 0 HB2 SER A 25 62.991 -10.240 -5.539 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.234 -10.776 -4.427 1.00 0.00 H new ATOM 0 HG SER A 25 62.668 -12.361 -4.364 1.00 0.00 H new ATOM 400 N PHE A 26 61.426 -10.237 -2.076 1.00 0.00 N ATOM 401 CA PHE A 26 60.963 -10.642 -0.725 1.00 0.00 C ATOM 402 C PHE A 26 61.711 -11.897 -0.269 1.00 0.00 C ATOM 403 O PHE A 26 61.581 -12.336 0.857 1.00 0.00 O ATOM 404 CB PHE A 26 59.481 -10.940 -0.915 1.00 0.00 C ATOM 405 CG PHE A 26 58.671 -9.704 -0.604 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.740 -8.592 -1.453 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.848 -9.669 0.528 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.988 -7.448 -1.170 1.00 0.00 C ATOM 409 CE2 PHE A 26 57.096 -8.522 0.812 1.00 0.00 C ATOM 410 CZ PHE A 26 57.165 -7.412 -0.038 1.00 0.00 C ATOM 0 H PHE A 26 60.804 -10.496 -2.842 1.00 0.00 H new ATOM 0 HA PHE A 26 61.140 -9.878 0.032 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.293 -11.262 -1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.178 -11.759 -0.263 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.374 -8.618 -2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.793 -10.526 1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 26 58.042 -6.591 -1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.463 -8.494 1.687 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.584 -6.528 0.179 1.00 0.00 H new ATOM 420 N ASN A 27 62.487 -12.481 -1.139 1.00 0.00 N ATOM 421 CA ASN A 27 63.238 -13.708 -0.767 1.00 0.00 C ATOM 422 C ASN A 27 64.668 -13.358 -0.348 1.00 0.00 C ATOM 423 O ASN A 27 65.175 -13.861 0.636 1.00 0.00 O ATOM 424 CB ASN A 27 63.243 -14.568 -2.031 1.00 0.00 C ATOM 425 CG ASN A 27 62.770 -15.981 -1.691 1.00 0.00 C ATOM 426 OD1 ASN A 27 61.640 -16.177 -1.288 1.00 0.00 O ATOM 427 ND2 ASN A 27 63.593 -16.984 -1.834 1.00 0.00 N ATOM 0 H ASN A 27 62.633 -12.158 -2.096 1.00 0.00 H new ATOM 0 HA ASN A 27 62.784 -14.225 0.078 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.592 -14.127 -2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 27 64.246 -14.602 -2.456 1.00 0.00 H new ATOM 0 HD21 ASN A 27 63.288 -17.931 -1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 27 64.541 -16.821 -2.172 1.00 0.00 H new ATOM 434 N ILE A 28 65.328 -12.505 -1.085 1.00 0.00 N ATOM 435 CA ILE A 28 66.726 -12.139 -0.717 1.00 0.00 C ATOM 436 C ILE A 28 66.750 -11.455 0.650 1.00 0.00 C ATOM 437 O ILE A 28 65.744 -10.976 1.135 1.00 0.00 O ATOM 438 CB ILE A 28 67.203 -11.183 -1.812 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.729 -11.065 -1.752 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.581 -9.803 -1.607 1.00 0.00 C ATOM 441 CD1 ILE A 28 69.261 -10.630 -3.119 1.00 0.00 C ATOM 0 H ILE A 28 64.962 -12.048 -1.921 1.00 0.00 H new ATOM 0 HA ILE A 28 67.372 -13.014 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 28 66.900 -11.572 -2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 28 69.019 -10.341 -0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 28 69.167 -12.021 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.926 -9.128 -2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.495 -9.884 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.878 -9.411 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 28 70.347 -10.546 -3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.983 -11.370 -3.870 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.832 -9.664 -3.386 1.00 0.00 H new ATOM 453 N THR A 29 67.894 -11.408 1.275 1.00 0.00 N ATOM 454 CA THR A 29 67.985 -10.760 2.616 1.00 0.00 C ATOM 455 C THR A 29 69.426 -10.333 2.908 1.00 0.00 C ATOM 456 O THR A 29 70.307 -10.464 2.078 1.00 0.00 O ATOM 457 CB THR A 29 67.551 -11.842 3.606 1.00 0.00 C ATOM 458 OG1 THR A 29 68.381 -12.984 3.445 1.00 0.00 O ATOM 459 CG2 THR A 29 66.094 -12.226 3.346 1.00 0.00 C ATOM 0 H THR A 29 68.769 -11.789 0.917 1.00 0.00 H new ATOM 0 HA THR A 29 67.366 -9.865 2.679 1.00 0.00 H new ATOM 0 HB THR A 29 67.644 -11.462 4.623 1.00 0.00 H new ATOM 0 HG1 THR A 29 69.128 -12.764 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.789 -12.997 4.054 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.459 -11.349 3.469 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.994 -12.606 2.329 1.00 0.00 H new ATOM 467 N GLU A 30 69.675 -9.834 4.088 1.00 0.00 N ATOM 468 CA GLU A 30 71.059 -9.413 4.435 1.00 0.00 C ATOM 469 C GLU A 30 72.026 -10.554 4.123 1.00 0.00 C ATOM 470 O GLU A 30 73.151 -10.337 3.722 1.00 0.00 O ATOM 471 CB GLU A 30 71.029 -9.125 5.936 1.00 0.00 C ATOM 472 CG GLU A 30 72.295 -8.365 6.335 1.00 0.00 C ATOM 473 CD GLU A 30 73.250 -9.314 7.062 1.00 0.00 C ATOM 474 OE1 GLU A 30 73.354 -10.455 6.644 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.862 -8.882 8.026 1.00 0.00 O ATOM 0 H GLU A 30 68.981 -9.701 4.824 1.00 0.00 H new ATOM 0 HA GLU A 30 71.388 -8.540 3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.145 -8.538 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 30 70.961 -10.058 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.779 -7.952 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.040 -7.524 6.980 1.00 0.00 H new ATOM 482 N ASP A 31 71.586 -11.771 4.293 1.00 0.00 N ATOM 483 CA ASP A 31 72.473 -12.929 3.991 1.00 0.00 C ATOM 484 C ASP A 31 72.988 -12.809 2.560 1.00 0.00 C ATOM 485 O ASP A 31 74.176 -12.716 2.319 1.00 0.00 O ATOM 486 CB ASP A 31 71.584 -14.163 4.145 1.00 0.00 C ATOM 487 CG ASP A 31 72.240 -15.149 5.112 1.00 0.00 C ATOM 488 OD1 ASP A 31 73.243 -15.736 4.740 1.00 0.00 O ATOM 489 OD2 ASP A 31 71.729 -15.302 6.209 1.00 0.00 O ATOM 0 H ASP A 31 70.653 -12.013 4.627 1.00 0.00 H new ATOM 0 HA ASP A 31 73.342 -12.979 4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.602 -13.872 4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.430 -14.636 3.175 1.00 0.00 H new ATOM 494 N GLU A 32 72.098 -12.794 1.610 1.00 0.00 N ATOM 495 CA GLU A 32 72.531 -12.661 0.192 1.00 0.00 C ATOM 496 C GLU A 32 73.283 -11.344 0.015 1.00 0.00 C ATOM 497 O GLU A 32 74.241 -11.249 -0.731 1.00 0.00 O ATOM 498 CB GLU A 32 71.237 -12.661 -0.624 1.00 0.00 C ATOM 499 CG GLU A 32 70.620 -14.060 -0.603 1.00 0.00 C ATOM 500 CD GLU A 32 69.513 -14.114 0.451 1.00 0.00 C ATOM 501 OE1 GLU A 32 69.723 -13.587 1.530 1.00 0.00 O ATOM 502 OE2 GLU A 32 68.473 -14.682 0.161 1.00 0.00 O ATOM 0 H GLU A 32 71.091 -12.868 1.753 1.00 0.00 H new ATOM 0 HA GLU A 32 73.199 -13.463 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.535 -11.936 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.442 -12.358 -1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 32 70.214 -14.305 -1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.385 -14.803 -0.380 1.00 0.00 H new ATOM 509 N LEU A 33 72.870 -10.330 0.724 1.00 0.00 N ATOM 510 CA LEU A 33 73.568 -9.026 0.626 1.00 0.00 C ATOM 511 C LEU A 33 74.942 -9.174 1.257 1.00 0.00 C ATOM 512 O LEU A 33 75.901 -8.549 0.851 1.00 0.00 O ATOM 513 CB LEU A 33 72.704 -8.045 1.419 1.00 0.00 C ATOM 514 CG LEU A 33 71.665 -7.414 0.492 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.511 -8.395 0.276 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.128 -6.130 1.126 1.00 0.00 C ATOM 0 H LEU A 33 72.078 -10.352 1.367 1.00 0.00 H new ATOM 0 HA LEU A 33 73.703 -8.682 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.208 -8.563 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.329 -7.270 1.863 1.00 0.00 H new ATOM 0 HG LEU A 33 72.129 -7.180 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.770 -7.945 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.892 -9.311 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.048 -8.629 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.387 -5.680 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 33 70.665 -6.364 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.949 -5.430 1.281 1.00 0.00 H new ATOM 528 N LYS A 34 75.045 -10.022 2.242 1.00 0.00 N ATOM 529 CA LYS A 34 76.357 -10.237 2.893 1.00 0.00 C ATOM 530 C LYS A 34 77.212 -11.129 2.002 1.00 0.00 C ATOM 531 O LYS A 34 78.425 -11.074 2.014 1.00 0.00 O ATOM 532 CB LYS A 34 76.049 -10.926 4.224 1.00 0.00 C ATOM 533 CG LYS A 34 76.405 -9.988 5.379 1.00 0.00 C ATOM 534 CD LYS A 34 77.908 -10.070 5.658 1.00 0.00 C ATOM 535 CE LYS A 34 78.577 -8.757 5.242 1.00 0.00 C ATOM 536 NZ LYS A 34 78.611 -7.934 6.482 1.00 0.00 N ATOM 0 H LYS A 34 74.275 -10.573 2.621 1.00 0.00 H new ATOM 0 HA LYS A 34 76.905 -9.309 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 34 74.993 -11.194 4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 34 76.617 -11.853 4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 34 76.126 -8.964 5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 34 75.843 -10.263 6.272 1.00 0.00 H new ATOM 0 HD2 LYS A 34 78.082 -10.260 6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 34 78.346 -10.904 5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 34 79.581 -8.931 4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.013 -8.259 4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 78.881 -6.958 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 77.670 -7.935 6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.306 -8.333 7.145 1.00 0.00 H new ATOM 550 N GLU A 35 76.570 -11.939 1.216 1.00 0.00 N ATOM 551 CA GLU A 35 77.311 -12.835 0.293 1.00 0.00 C ATOM 552 C GLU A 35 77.775 -12.035 -0.922 1.00 0.00 C ATOM 553 O GLU A 35 78.824 -12.282 -1.481 1.00 0.00 O ATOM 554 CB GLU A 35 76.305 -13.911 -0.118 1.00 0.00 C ATOM 555 CG GLU A 35 77.032 -15.030 -0.866 1.00 0.00 C ATOM 556 CD GLU A 35 76.347 -15.276 -2.211 1.00 0.00 C ATOM 557 OE1 GLU A 35 76.208 -14.326 -2.965 1.00 0.00 O ATOM 558 OE2 GLU A 35 75.972 -16.409 -2.464 1.00 0.00 O ATOM 0 H GLU A 35 75.554 -12.020 1.173 1.00 0.00 H new ATOM 0 HA GLU A 35 78.196 -13.275 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.806 -14.313 0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.532 -13.478 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 35 78.076 -14.758 -1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.026 -15.943 -0.271 1.00 0.00 H new ATOM 565 N VAL A 36 77.001 -11.063 -1.324 1.00 0.00 N ATOM 566 CA VAL A 36 77.396 -10.232 -2.493 1.00 0.00 C ATOM 567 C VAL A 36 78.259 -9.065 -2.015 1.00 0.00 C ATOM 568 O VAL A 36 79.253 -8.722 -2.625 1.00 0.00 O ATOM 569 CB VAL A 36 76.082 -9.722 -3.084 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.374 -8.628 -4.112 1.00 0.00 C ATOM 571 CG2 VAL A 36 75.350 -10.879 -3.768 1.00 0.00 C ATOM 0 H VAL A 36 76.112 -10.810 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 36 77.976 -10.789 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 36 75.459 -9.315 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.437 -8.265 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.898 -7.804 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.996 -9.035 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.412 -10.517 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.974 -11.284 -4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 36 75.141 -11.660 -3.037 1.00 0.00 H new ATOM 581 N PHE A 37 77.887 -8.454 -0.924 1.00 0.00 N ATOM 582 CA PHE A 37 78.675 -7.318 -0.399 1.00 0.00 C ATOM 583 C PHE A 37 79.637 -7.802 0.689 1.00 0.00 C ATOM 584 O PHE A 37 79.845 -7.143 1.689 1.00 0.00 O ATOM 585 CB PHE A 37 77.629 -6.376 0.187 1.00 0.00 C ATOM 586 CG PHE A 37 76.614 -6.016 -0.874 1.00 0.00 C ATOM 587 CD1 PHE A 37 76.977 -6.032 -2.227 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.310 -5.668 -0.504 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.036 -5.699 -3.207 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.369 -5.335 -1.486 1.00 0.00 C ATOM 591 CZ PHE A 37 74.732 -5.352 -2.837 1.00 0.00 C ATOM 0 H PHE A 37 77.064 -8.699 -0.374 1.00 0.00 H new ATOM 0 HA PHE A 37 79.285 -6.836 -1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.132 -6.851 1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.110 -5.474 0.565 1.00 0.00 H new ATOM 0 HD1 PHE A 37 77.983 -6.301 -2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.029 -5.656 0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 37 76.316 -5.710 -4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.363 -5.065 -1.200 1.00 0.00 H new ATOM 0 HZ PHE A 37 74.006 -5.097 -3.594 1.00 0.00 H new ATOM 601 N GLU A 38 80.220 -8.955 0.506 1.00 0.00 N ATOM 602 CA GLU A 38 81.164 -9.492 1.529 1.00 0.00 C ATOM 603 C GLU A 38 82.327 -8.519 1.752 1.00 0.00 C ATOM 604 O GLU A 38 83.073 -8.638 2.703 1.00 0.00 O ATOM 605 CB GLU A 38 81.674 -10.807 0.943 1.00 0.00 C ATOM 606 CG GLU A 38 81.699 -11.878 2.034 1.00 0.00 C ATOM 607 CD GLU A 38 82.086 -13.225 1.421 1.00 0.00 C ATOM 608 OE1 GLU A 38 83.124 -13.288 0.783 1.00 0.00 O ATOM 609 OE2 GLU A 38 81.338 -14.172 1.599 1.00 0.00 O ATOM 0 H GLU A 38 80.083 -9.551 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 38 80.682 -9.632 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.031 -11.125 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.674 -10.670 0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.411 -11.603 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 38 80.721 -11.951 2.509 1.00 0.00 H new ATOM 616 N ASP A 39 82.488 -7.559 0.884 1.00 0.00 N ATOM 617 CA ASP A 39 83.604 -6.585 1.052 1.00 0.00 C ATOM 618 C ASP A 39 83.154 -5.404 1.912 1.00 0.00 C ATOM 619 O ASP A 39 83.861 -4.427 2.062 1.00 0.00 O ATOM 620 CB ASP A 39 83.939 -6.119 -0.366 1.00 0.00 C ATOM 621 CG ASP A 39 85.402 -5.674 -0.426 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.239 -6.389 0.099 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.658 -4.627 -0.997 1.00 0.00 O ATOM 0 H ASP A 39 81.897 -7.406 0.067 1.00 0.00 H new ATOM 0 HA ASP A 39 84.466 -7.028 1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.764 -6.927 -1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.285 -5.295 -0.653 1.00 0.00 H new ATOM 628 N ALA A 40 81.981 -5.482 2.479 1.00 0.00 N ATOM 629 CA ALA A 40 81.496 -4.356 3.325 1.00 0.00 C ATOM 630 C ALA A 40 81.516 -4.750 4.806 1.00 0.00 C ATOM 631 O ALA A 40 81.717 -5.897 5.151 1.00 0.00 O ATOM 632 CB ALA A 40 80.065 -4.096 2.857 1.00 0.00 C ATOM 0 H ALA A 40 81.341 -6.272 2.394 1.00 0.00 H new ATOM 0 HA ALA A 40 82.124 -3.471 3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.637 -3.277 3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.070 -3.831 1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.466 -4.995 3.002 1.00 0.00 H new ATOM 638 N LEU A 41 81.302 -3.805 5.684 1.00 0.00 N ATOM 639 CA LEU A 41 81.301 -4.123 7.139 1.00 0.00 C ATOM 640 C LEU A 41 80.005 -4.836 7.502 1.00 0.00 C ATOM 641 O LEU A 41 79.998 -5.835 8.192 1.00 0.00 O ATOM 642 CB LEU A 41 81.362 -2.780 7.883 1.00 0.00 C ATOM 643 CG LEU A 41 82.199 -1.764 7.105 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.567 -0.599 8.025 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.473 -2.438 6.593 1.00 0.00 C ATOM 0 H LEU A 41 81.128 -2.827 5.454 1.00 0.00 H new ATOM 0 HA LEU A 41 82.141 -4.765 7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.353 -2.393 8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.791 -2.928 8.874 1.00 0.00 H new ATOM 0 HG LEU A 41 81.624 -1.389 6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.164 0.127 7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.657 -0.120 8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.143 -0.972 8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.070 -1.714 6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.051 -2.813 7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.208 -3.268 5.938 1.00 0.00 H new ATOM 657 N GLU A 42 78.907 -4.312 7.039 1.00 0.00 N ATOM 658 CA GLU A 42 77.588 -4.932 7.351 1.00 0.00 C ATOM 659 C GLU A 42 76.514 -4.391 6.411 1.00 0.00 C ATOM 660 O GLU A 42 76.727 -3.437 5.689 1.00 0.00 O ATOM 661 CB GLU A 42 77.289 -4.521 8.793 1.00 0.00 C ATOM 662 CG GLU A 42 77.986 -5.484 9.754 1.00 0.00 C ATOM 663 CD GLU A 42 77.036 -5.838 10.901 1.00 0.00 C ATOM 664 OE1 GLU A 42 75.844 -5.913 10.654 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.517 -6.028 12.005 1.00 0.00 O ATOM 0 H GLU A 42 78.864 -3.477 6.455 1.00 0.00 H new ATOM 0 HA GLU A 42 77.603 -6.015 7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.632 -3.502 8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.213 -4.530 8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.287 -6.388 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 42 78.894 -5.028 10.148 1.00 0.00 H new ATOM 672 N ILE A 43 75.361 -4.994 6.413 1.00 0.00 N ATOM 673 CA ILE A 43 74.271 -4.516 5.517 1.00 0.00 C ATOM 674 C ILE A 43 72.953 -4.406 6.284 1.00 0.00 C ATOM 675 O ILE A 43 72.679 -5.169 7.189 1.00 0.00 O ATOM 676 CB ILE A 43 74.162 -5.577 4.426 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.431 -5.558 3.572 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.948 -5.282 3.544 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.613 -6.919 2.899 1.00 0.00 C ATOM 0 H ILE A 43 75.124 -5.797 6.995 1.00 0.00 H new ATOM 0 HA ILE A 43 74.482 -3.527 5.111 1.00 0.00 H new ATOM 0 HB ILE A 43 74.045 -6.559 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.363 -4.774 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.297 -5.329 4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.871 -6.041 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 43 72.044 -5.295 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.062 -4.300 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.517 -6.906 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.700 -7.693 3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.752 -7.129 2.265 1.00 0.00 H new ATOM 691 N ARG A 44 72.135 -3.464 5.915 1.00 0.00 N ATOM 692 CA ARG A 44 70.826 -3.290 6.600 1.00 0.00 C ATOM 693 C ARG A 44 69.690 -3.497 5.594 1.00 0.00 C ATOM 694 O ARG A 44 69.911 -3.537 4.400 1.00 0.00 O ATOM 695 CB ARG A 44 70.845 -1.852 7.117 1.00 0.00 C ATOM 696 CG ARG A 44 71.183 -1.854 8.607 1.00 0.00 C ATOM 697 CD ARG A 44 69.943 -1.467 9.416 1.00 0.00 C ATOM 698 NE ARG A 44 70.329 -1.688 10.837 1.00 0.00 N ATOM 699 CZ ARG A 44 69.409 -1.896 11.737 1.00 0.00 C ATOM 700 NH1 ARG A 44 68.300 -1.209 11.709 1.00 0.00 N ATOM 701 NH2 ARG A 44 69.596 -2.792 12.669 1.00 0.00 N ATOM 0 H ARG A 44 72.318 -2.801 5.162 1.00 0.00 H new ATOM 0 HA ARG A 44 70.670 -4.005 7.408 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.581 -1.265 6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.875 -1.382 6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.533 -2.841 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 44 71.993 -1.153 8.807 1.00 0.00 H new ATOM 0 HD2 ARG A 44 69.664 -0.428 9.239 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.084 -2.079 9.140 1.00 0.00 H new ATOM 0 HE ARG A 44 71.313 -1.677 11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.152 -0.508 10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 44 67.581 -1.373 12.414 1.00 0.00 H new ATOM 0 HH21 ARG A 44 70.462 -3.330 12.693 1.00 0.00 H new ATOM 0 HH22 ARG A 44 68.876 -2.954 13.373 1.00 0.00 H new ATOM 715 N LEU A 45 68.481 -3.639 6.061 1.00 0.00 N ATOM 716 CA LEU A 45 67.346 -3.855 5.121 1.00 0.00 C ATOM 717 C LEU A 45 66.436 -2.628 5.086 1.00 0.00 C ATOM 718 O LEU A 45 66.475 -1.788 5.963 1.00 0.00 O ATOM 719 CB LEU A 45 66.595 -5.064 5.681 1.00 0.00 C ATOM 720 CG LEU A 45 65.748 -5.696 4.577 1.00 0.00 C ATOM 721 CD1 LEU A 45 66.632 -6.009 3.369 1.00 0.00 C ATOM 722 CD2 LEU A 45 65.121 -6.992 5.098 1.00 0.00 C ATOM 0 H LEU A 45 68.230 -3.615 7.049 1.00 0.00 H new ATOM 0 HA LEU A 45 67.686 -4.020 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.302 -5.794 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.959 -4.757 6.511 1.00 0.00 H new ATOM 0 HG LEU A 45 64.961 -5.002 4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.027 -6.460 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.081 -5.088 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 45 67.419 -6.703 3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 45 64.516 -7.445 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.909 -7.684 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 45 64.491 -6.771 5.959 1.00 0.00 H new ATOM 734 N VAL A 46 65.614 -2.520 4.080 1.00 0.00 N ATOM 735 CA VAL A 46 64.700 -1.348 3.987 1.00 0.00 C ATOM 736 C VAL A 46 63.478 -1.690 3.130 1.00 0.00 C ATOM 737 O VAL A 46 63.590 -2.238 2.042 1.00 0.00 O ATOM 738 CB VAL A 46 65.533 -0.247 3.336 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.648 0.972 3.074 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.677 0.144 4.275 1.00 0.00 C ATOM 0 H VAL A 46 65.536 -3.193 3.318 1.00 0.00 H new ATOM 0 HA VAL A 46 64.319 -1.043 4.962 1.00 0.00 H new ATOM 0 HB VAL A 46 65.943 -0.607 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.241 1.759 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.831 0.692 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.240 1.335 4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.274 0.930 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.266 0.506 5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.306 -0.726 4.464 1.00 0.00 H new ATOM 750 N SER A 47 62.308 -1.375 3.621 1.00 0.00 N ATOM 751 CA SER A 47 61.065 -1.678 2.860 1.00 0.00 C ATOM 752 C SER A 47 60.157 -0.450 2.804 1.00 0.00 C ATOM 753 O SER A 47 60.590 0.668 3.001 1.00 0.00 O ATOM 754 CB SER A 47 60.393 -2.803 3.644 1.00 0.00 C ATOM 755 OG SER A 47 59.330 -2.265 4.421 1.00 0.00 O ATOM 0 H SER A 47 62.162 -0.919 4.521 1.00 0.00 H new ATOM 0 HA SER A 47 61.273 -1.960 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 47 60.011 -3.561 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 47 61.119 -3.295 4.291 1.00 0.00 H new ATOM 0 HG SER A 47 59.107 -2.887 5.145 1.00 0.00 H new ATOM 761 N GLN A 48 58.896 -0.651 2.535 1.00 0.00 N ATOM 762 CA GLN A 48 57.956 0.506 2.465 1.00 0.00 C ATOM 763 C GLN A 48 57.438 0.856 3.863 1.00 0.00 C ATOM 764 O GLN A 48 58.044 0.524 4.862 1.00 0.00 O ATOM 765 CB GLN A 48 56.810 0.033 1.570 1.00 0.00 C ATOM 766 CG GLN A 48 56.168 -1.214 2.179 1.00 0.00 C ATOM 767 CD GLN A 48 54.646 -1.121 2.049 1.00 0.00 C ATOM 768 OE1 GLN A 48 54.138 -0.640 1.056 1.00 0.00 O ATOM 769 NE2 GLN A 48 53.893 -1.564 3.018 1.00 0.00 N ATOM 0 H GLN A 48 58.476 -1.564 2.361 1.00 0.00 H new ATOM 0 HA GLN A 48 58.436 1.403 2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 48 56.067 0.823 1.465 1.00 0.00 H new ATOM 0 HB3 GLN A 48 57.183 -0.189 0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 48 56.533 -2.108 1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 48 56.449 -1.305 3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 48 54.320 -1.968 3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 48 52.877 -1.506 2.942 1.00 0.00 H new ATOM 778 N ASP A 49 56.322 1.530 3.939 1.00 0.00 N ATOM 779 CA ASP A 49 55.765 1.908 5.271 1.00 0.00 C ATOM 780 C ASP A 49 55.734 0.693 6.202 1.00 0.00 C ATOM 781 O ASP A 49 55.843 0.820 7.406 1.00 0.00 O ATOM 782 CB ASP A 49 54.345 2.396 4.982 1.00 0.00 C ATOM 783 CG ASP A 49 54.325 3.925 4.961 1.00 0.00 C ATOM 784 OD1 ASP A 49 55.045 4.518 5.749 1.00 0.00 O ATOM 785 OD2 ASP A 49 53.589 4.478 4.161 1.00 0.00 O ATOM 0 H ASP A 49 55.772 1.835 3.136 1.00 0.00 H new ATOM 0 HA ASP A 49 56.367 2.669 5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 49 54.002 2.004 4.024 1.00 0.00 H new ATOM 0 HB3 ASP A 49 53.659 2.023 5.743 1.00 0.00 H new ATOM 790 N GLY A 50 55.584 -0.482 5.657 1.00 0.00 N ATOM 791 CA GLY A 50 55.543 -1.700 6.514 1.00 0.00 C ATOM 792 C GLY A 50 55.437 -2.944 5.631 1.00 0.00 C ATOM 793 O GLY A 50 54.514 -3.725 5.752 1.00 0.00 O ATOM 0 H GLY A 50 55.488 -0.652 4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 50 56.441 -1.754 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.692 -1.650 7.194 1.00 0.00 H new ATOM 797 N LYS A 51 56.376 -3.136 4.747 1.00 0.00 N ATOM 798 CA LYS A 51 56.332 -4.331 3.858 1.00 0.00 C ATOM 799 C LYS A 51 57.596 -4.383 3.005 1.00 0.00 C ATOM 800 O LYS A 51 57.994 -3.401 2.412 1.00 0.00 O ATOM 801 CB LYS A 51 55.095 -4.133 2.981 1.00 0.00 C ATOM 802 CG LYS A 51 54.743 -5.451 2.289 1.00 0.00 C ATOM 803 CD LYS A 51 53.343 -5.895 2.718 1.00 0.00 C ATOM 804 CE LYS A 51 53.457 -7.002 3.768 1.00 0.00 C ATOM 805 NZ LYS A 51 52.534 -8.073 3.298 1.00 0.00 N ATOM 0 H LYS A 51 57.173 -2.516 4.601 1.00 0.00 H new ATOM 0 HA LYS A 51 56.281 -5.266 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 51 54.256 -3.794 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 51 55.284 -3.359 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 51 54.781 -5.327 1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 51 55.474 -6.217 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 51 52.791 -5.048 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 51 52.784 -6.255 1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 51 54.481 -7.369 3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 51 53.172 -6.640 4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 52.556 -8.869 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 51.566 -7.696 3.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 52.834 -8.402 2.358 1.00 0.00 H new ATOM 819 N SER A 52 58.228 -5.522 2.937 1.00 0.00 N ATOM 820 CA SER A 52 59.456 -5.655 2.136 1.00 0.00 C ATOM 821 C SER A 52 59.322 -4.897 0.814 1.00 0.00 C ATOM 822 O SER A 52 58.490 -5.209 -0.013 1.00 0.00 O ATOM 823 CB SER A 52 59.557 -7.153 1.902 1.00 0.00 C ATOM 824 OG SER A 52 58.640 -7.839 2.748 1.00 0.00 O ATOM 0 H SER A 52 57.933 -6.374 3.414 1.00 0.00 H new ATOM 0 HA SER A 52 60.338 -5.242 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 52 59.343 -7.382 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 52 60.573 -7.493 2.101 1.00 0.00 H new ATOM 0 HG SER A 52 58.065 -8.418 2.206 1.00 0.00 H new ATOM 830 N LYS A 53 60.142 -3.906 0.608 1.00 0.00 N ATOM 831 CA LYS A 53 60.070 -3.132 -0.661 1.00 0.00 C ATOM 832 C LYS A 53 61.252 -3.509 -1.549 1.00 0.00 C ATOM 833 O LYS A 53 61.258 -3.262 -2.739 1.00 0.00 O ATOM 834 CB LYS A 53 60.157 -1.664 -0.241 1.00 0.00 C ATOM 835 CG LYS A 53 59.805 -0.771 -1.433 1.00 0.00 C ATOM 836 CD LYS A 53 59.079 0.481 -0.937 1.00 0.00 C ATOM 837 CE LYS A 53 59.590 1.705 -1.700 1.00 0.00 C ATOM 838 NZ LYS A 53 59.973 2.684 -0.644 1.00 0.00 N ATOM 0 H LYS A 53 60.860 -3.598 1.264 1.00 0.00 H new ATOM 0 HA LYS A 53 59.159 -3.331 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.474 -1.470 0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.162 -1.435 0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 53 60.711 -0.490 -1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 53 59.174 -1.316 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 53 58.004 0.372 -1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 53 59.245 0.611 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 53 60.442 1.450 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 53 58.820 2.112 -2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 60.334 3.552 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 59.140 2.913 -0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 60.713 2.272 -0.040 1.00 0.00 H new ATOM 852 N GLY A 54 62.253 -4.115 -0.974 1.00 0.00 N ATOM 853 CA GLY A 54 63.437 -4.520 -1.772 1.00 0.00 C ATOM 854 C GLY A 54 64.575 -3.523 -1.552 1.00 0.00 C ATOM 855 O GLY A 54 65.441 -3.368 -2.392 1.00 0.00 O ATOM 0 H GLY A 54 62.300 -4.347 0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.757 -5.521 -1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.177 -4.562 -2.830 1.00 0.00 H new ATOM 859 N ILE A 55 64.594 -2.845 -0.433 1.00 0.00 N ATOM 860 CA ILE A 55 65.693 -1.871 -0.188 1.00 0.00 C ATOM 861 C ILE A 55 66.556 -2.344 0.983 1.00 0.00 C ATOM 862 O ILE A 55 66.129 -3.136 1.798 1.00 0.00 O ATOM 863 CB ILE A 55 64.987 -0.557 0.149 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.861 -0.313 -0.859 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.992 0.595 0.076 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.081 0.942 -0.460 1.00 0.00 C ATOM 0 H ILE A 55 63.903 -2.924 0.313 1.00 0.00 H new ATOM 0 HA ILE A 55 66.357 -1.762 -1.046 1.00 0.00 H new ATOM 0 HB ILE A 55 64.571 -0.614 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.275 -0.194 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.194 -1.174 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.489 1.532 0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.797 0.421 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.406 0.653 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.279 1.116 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.655 0.805 0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.753 1.800 -0.452 1.00 0.00 H new ATOM 878 N ALA A 56 67.768 -1.872 1.071 1.00 0.00 N ATOM 879 CA ALA A 56 68.652 -2.302 2.191 1.00 0.00 C ATOM 880 C ALA A 56 69.869 -1.381 2.277 1.00 0.00 C ATOM 881 O ALA A 56 70.340 -0.869 1.281 1.00 0.00 O ATOM 882 CB ALA A 56 69.080 -3.726 1.834 1.00 0.00 C ATOM 0 H ALA A 56 68.184 -1.209 0.418 1.00 0.00 H new ATOM 0 HA ALA A 56 68.150 -2.260 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.736 -4.115 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.198 -4.361 1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.612 -3.718 0.883 1.00 0.00 H new ATOM 888 N TYR A 57 70.386 -1.169 3.452 1.00 0.00 N ATOM 889 CA TYR A 57 71.574 -0.283 3.587 1.00 0.00 C ATOM 890 C TYR A 57 72.850 -1.124 3.527 1.00 0.00 C ATOM 891 O TYR A 57 72.877 -2.256 3.961 1.00 0.00 O ATOM 892 CB TYR A 57 71.423 0.386 4.953 1.00 0.00 C ATOM 893 CG TYR A 57 71.065 1.840 4.763 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.859 2.655 3.948 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.937 2.372 5.400 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.525 4.004 3.769 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.604 3.720 5.222 1.00 0.00 C ATOM 898 CZ TYR A 57 70.398 4.536 4.406 1.00 0.00 C ATOM 899 OH TYR A 57 70.070 5.865 4.231 1.00 0.00 O ATOM 0 H TYR A 57 70.039 -1.569 4.324 1.00 0.00 H new ATOM 0 HA TYR A 57 71.640 0.456 2.789 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.650 -0.117 5.533 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.352 0.300 5.517 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.729 2.244 3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.324 1.743 6.028 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.137 4.633 3.140 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.735 4.131 5.714 1.00 0.00 H new ATOM 0 HH TYR A 57 69.260 6.072 4.742 1.00 0.00 H new ATOM 909 N ILE A 58 73.905 -0.587 2.984 1.00 0.00 N ATOM 910 CA ILE A 58 75.168 -1.375 2.894 1.00 0.00 C ATOM 911 C ILE A 58 76.335 -0.564 3.465 1.00 0.00 C ATOM 912 O ILE A 58 76.664 0.500 2.977 1.00 0.00 O ATOM 913 CB ILE A 58 75.385 -1.649 1.399 1.00 0.00 C ATOM 914 CG1 ILE A 58 74.041 -1.747 0.668 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.145 -2.964 1.230 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.260 -2.950 1.190 1.00 0.00 C ATOM 0 H ILE A 58 73.950 0.357 2.600 1.00 0.00 H new ATOM 0 HA ILE A 58 75.108 -2.302 3.464 1.00 0.00 H new ATOM 0 HB ILE A 58 75.959 -0.826 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.466 -0.834 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 58 74.206 -1.845 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.300 -3.161 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.110 -2.893 1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.567 -3.777 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.305 -3.018 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.834 -3.860 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 58 73.083 -2.833 2.259 1.00 0.00 H new ATOM 928 N GLU A 59 76.961 -1.062 4.497 1.00 0.00 N ATOM 929 CA GLU A 59 78.107 -0.327 5.106 1.00 0.00 C ATOM 930 C GLU A 59 79.428 -0.982 4.704 1.00 0.00 C ATOM 931 O GLU A 59 79.619 -2.169 4.885 1.00 0.00 O ATOM 932 CB GLU A 59 77.903 -0.454 6.616 1.00 0.00 C ATOM 933 CG GLU A 59 76.963 0.645 7.105 1.00 0.00 C ATOM 934 CD GLU A 59 77.554 2.014 6.764 1.00 0.00 C ATOM 935 OE1 GLU A 59 78.757 2.088 6.580 1.00 0.00 O ATOM 936 OE2 GLU A 59 76.793 2.965 6.696 1.00 0.00 O ATOM 0 H GLU A 59 76.728 -1.948 4.946 1.00 0.00 H new ATOM 0 HA GLU A 59 78.146 0.712 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 59 77.488 -1.433 6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.862 -0.380 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.984 0.534 6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 59 76.815 0.559 8.182 1.00 0.00 H new ATOM 943 N PHE A 60 80.347 -0.228 4.170 1.00 0.00 N ATOM 944 CA PHE A 60 81.647 -0.832 3.777 1.00 0.00 C ATOM 945 C PHE A 60 82.779 -0.257 4.621 1.00 0.00 C ATOM 946 O PHE A 60 82.590 0.639 5.419 1.00 0.00 O ATOM 947 CB PHE A 60 81.853 -0.470 2.311 1.00 0.00 C ATOM 948 CG PHE A 60 80.910 -1.276 1.453 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.569 -0.894 1.336 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.376 -2.410 0.776 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.696 -1.644 0.540 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.503 -3.160 -0.019 1.00 0.00 C ATOM 953 CZ PHE A 60 79.162 -2.777 -0.136 1.00 0.00 C ATOM 0 H PHE A 60 80.255 0.772 3.990 1.00 0.00 H new ATOM 0 HA PHE A 60 81.644 -1.911 3.929 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.677 0.595 2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.885 -0.667 2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.208 -0.021 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.411 -2.706 0.868 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.661 -1.348 0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.863 -4.034 -0.542 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.487 -3.356 -0.748 1.00 0.00 H new ATOM 963 N LYS A 61 83.953 -0.777 4.444 1.00 0.00 N ATOM 964 CA LYS A 61 85.121 -0.282 5.227 1.00 0.00 C ATOM 965 C LYS A 61 85.703 0.976 4.578 1.00 0.00 C ATOM 966 O LYS A 61 86.398 1.747 5.210 1.00 0.00 O ATOM 967 CB LYS A 61 86.137 -1.424 5.189 1.00 0.00 C ATOM 968 CG LYS A 61 87.131 -1.262 6.340 1.00 0.00 C ATOM 969 CD LYS A 61 88.458 -1.926 5.967 1.00 0.00 C ATOM 970 CE LYS A 61 88.983 -2.724 7.163 1.00 0.00 C ATOM 971 NZ LYS A 61 89.659 -3.908 6.566 1.00 0.00 N ATOM 0 H LYS A 61 84.161 -1.529 3.787 1.00 0.00 H new ATOM 0 HA LYS A 61 84.847 -0.013 6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.625 -2.383 5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.665 -1.423 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.289 -0.205 6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.729 -1.713 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 61 88.319 -2.584 5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 61 89.186 -1.169 5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 61 89.677 -2.132 7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 61 88.171 -3.025 7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.046 -4.506 7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 88.972 -4.456 6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 90.432 -3.591 5.946 1.00 0.00 H new ATOM 985 N SER A 62 85.425 1.187 3.323 1.00 0.00 N ATOM 986 CA SER A 62 85.964 2.396 2.637 1.00 0.00 C ATOM 987 C SER A 62 85.191 2.658 1.342 1.00 0.00 C ATOM 988 O SER A 62 84.588 1.766 0.774 1.00 0.00 O ATOM 989 CB SER A 62 87.423 2.060 2.330 1.00 0.00 C ATOM 990 OG SER A 62 87.839 0.973 3.146 1.00 0.00 O ATOM 0 H SER A 62 84.849 0.577 2.742 1.00 0.00 H new ATOM 0 HA SER A 62 85.872 3.293 3.249 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.534 1.802 1.277 1.00 0.00 H new ATOM 0 HB3 SER A 62 88.054 2.929 2.514 1.00 0.00 H new ATOM 0 HG SER A 62 88.774 0.756 2.949 1.00 0.00 H new ATOM 996 N GLU A 63 85.206 3.874 0.869 1.00 0.00 N ATOM 997 CA GLU A 63 84.474 4.189 -0.390 1.00 0.00 C ATOM 998 C GLU A 63 84.896 3.219 -1.495 1.00 0.00 C ATOM 999 O GLU A 63 84.094 2.803 -2.308 1.00 0.00 O ATOM 1000 CB GLU A 63 84.887 5.619 -0.743 1.00 0.00 C ATOM 1001 CG GLU A 63 84.697 6.522 0.477 1.00 0.00 C ATOM 1002 CD GLU A 63 86.047 7.111 0.891 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.648 7.792 0.076 1.00 0.00 O ATOM 1004 OE2 GLU A 63 86.456 6.872 2.016 1.00 0.00 O ATOM 0 H GLU A 63 85.692 4.661 1.299 1.00 0.00 H new ATOM 0 HA GLU A 63 83.394 4.096 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.928 5.639 -1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.289 5.986 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.995 7.323 0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.269 5.952 1.301 1.00 0.00 H new ATOM 1011 N ALA A 64 86.149 2.853 -1.530 1.00 0.00 N ATOM 1012 CA ALA A 64 86.617 1.909 -2.578 1.00 0.00 C ATOM 1013 C ALA A 64 85.899 0.570 -2.423 1.00 0.00 C ATOM 1014 O ALA A 64 85.508 -0.053 -3.390 1.00 0.00 O ATOM 1015 CB ALA A 64 88.118 1.751 -2.335 1.00 0.00 C ATOM 0 H ALA A 64 86.866 3.168 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 64 86.412 2.269 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.536 1.066 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.605 2.722 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.285 1.352 -1.334 1.00 0.00 H new ATOM 1021 N ASP A 65 85.706 0.131 -1.211 1.00 0.00 N ATOM 1022 CA ASP A 65 84.994 -1.156 -0.996 1.00 0.00 C ATOM 1023 C ASP A 65 83.526 -0.977 -1.375 1.00 0.00 C ATOM 1024 O ASP A 65 82.986 -1.700 -2.189 1.00 0.00 O ATOM 1025 CB ASP A 65 85.137 -1.452 0.498 1.00 0.00 C ATOM 1026 CG ASP A 65 86.296 -2.426 0.717 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.008 -2.694 -0.237 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.452 -2.887 1.836 1.00 0.00 O ATOM 0 H ASP A 65 86.010 0.608 -0.362 1.00 0.00 H new ATOM 0 HA ASP A 65 85.396 -1.971 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.316 -0.528 1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.212 -1.878 0.885 1.00 0.00 H new ATOM 1033 N ALA A 66 82.883 0.002 -0.799 1.00 0.00 N ATOM 1034 CA ALA A 66 81.453 0.251 -1.133 1.00 0.00 C ATOM 1035 C ALA A 66 81.321 0.589 -2.621 1.00 0.00 C ATOM 1036 O ALA A 66 80.321 0.298 -3.247 1.00 0.00 O ATOM 1037 CB ALA A 66 81.048 1.447 -0.271 1.00 0.00 C ATOM 0 H ALA A 66 83.286 0.639 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 66 80.821 -0.616 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 66 80.003 1.694 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.177 1.197 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.674 2.304 -0.520 1.00 0.00 H new ATOM 1043 N GLU A 67 82.325 1.201 -3.194 1.00 0.00 N ATOM 1044 CA GLU A 67 82.257 1.554 -4.637 1.00 0.00 C ATOM 1045 C GLU A 67 82.531 0.317 -5.497 1.00 0.00 C ATOM 1046 O GLU A 67 81.778 -0.009 -6.394 1.00 0.00 O ATOM 1047 CB GLU A 67 83.351 2.603 -4.844 1.00 0.00 C ATOM 1048 CG GLU A 67 82.887 3.944 -4.275 1.00 0.00 C ATOM 1049 CD GLU A 67 82.527 4.888 -5.423 1.00 0.00 C ATOM 1050 OE1 GLU A 67 81.486 4.687 -6.026 1.00 0.00 O ATOM 1051 OE2 GLU A 67 83.299 5.798 -5.681 1.00 0.00 O ATOM 0 H GLU A 67 83.188 1.470 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 67 81.275 1.930 -4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 67 84.271 2.286 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 67 83.576 2.705 -5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 67 82.023 3.797 -3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 67 83.674 4.383 -3.662 1.00 0.00 H new ATOM 1058 N LYS A 68 83.603 -0.379 -5.225 1.00 0.00 N ATOM 1059 CA LYS A 68 83.920 -1.596 -6.022 1.00 0.00 C ATOM 1060 C LYS A 68 82.770 -2.594 -5.911 1.00 0.00 C ATOM 1061 O LYS A 68 82.441 -3.289 -6.852 1.00 0.00 O ATOM 1062 CB LYS A 68 85.192 -2.165 -5.392 1.00 0.00 C ATOM 1063 CG LYS A 68 85.815 -3.194 -6.336 1.00 0.00 C ATOM 1064 CD LYS A 68 85.999 -2.570 -7.721 1.00 0.00 C ATOM 1065 CE LYS A 68 87.105 -3.314 -8.473 1.00 0.00 C ATOM 1066 NZ LYS A 68 88.239 -2.350 -8.542 1.00 0.00 N ATOM 0 H LYS A 68 84.271 -0.157 -4.487 1.00 0.00 H new ATOM 0 HA LYS A 68 84.060 -1.380 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 68 85.902 -1.362 -5.193 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.959 -2.629 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.776 -3.527 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 68 85.176 -4.075 -6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.066 -2.621 -8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.256 -1.515 -7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 68 87.393 -4.226 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 68 86.776 -3.608 -9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 89.037 -2.788 -9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.937 -1.495 -9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 88.535 -2.093 -7.579 1.00 0.00 H new ATOM 1080 N ASN A 69 82.151 -2.663 -4.766 1.00 0.00 N ATOM 1081 CA ASN A 69 81.016 -3.608 -4.589 1.00 0.00 C ATOM 1082 C ASN A 69 79.757 -3.036 -5.246 1.00 0.00 C ATOM 1083 O ASN A 69 79.113 -3.683 -6.044 1.00 0.00 O ATOM 1084 CB ASN A 69 80.833 -3.719 -3.077 1.00 0.00 C ATOM 1085 CG ASN A 69 81.513 -4.993 -2.575 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.914 -5.778 -1.867 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.750 -5.234 -2.914 1.00 0.00 N ATOM 0 H ASN A 69 82.383 -2.105 -3.945 1.00 0.00 H new ATOM 0 HA ASN A 69 81.202 -4.579 -5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.261 -2.847 -2.583 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.772 -3.738 -2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.213 -6.081 -2.585 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.253 -4.575 -3.508 1.00 0.00 H new ATOM 1094 N LEU A 70 79.406 -1.822 -4.917 1.00 0.00 N ATOM 1095 CA LEU A 70 78.191 -1.209 -5.525 1.00 0.00 C ATOM 1096 C LEU A 70 78.351 -1.112 -7.043 1.00 0.00 C ATOM 1097 O LEU A 70 77.385 -1.019 -7.773 1.00 0.00 O ATOM 1098 CB LEU A 70 78.099 0.186 -4.903 1.00 0.00 C ATOM 1099 CG LEU A 70 77.089 1.029 -5.684 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.266 1.872 -4.708 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.835 1.953 -6.650 1.00 0.00 C ATOM 0 H LEU A 70 79.907 -1.230 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 70 77.293 -1.798 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 70 77.795 0.111 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.077 0.667 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 70 76.426 0.372 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.546 2.473 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 70 75.735 1.216 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 70 76.930 2.529 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.116 2.554 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.498 2.610 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.423 1.354 -7.345 1.00 0.00 H new ATOM 1113 N GLU A 71 79.563 -1.135 -7.525 1.00 0.00 N ATOM 1114 CA GLU A 71 79.778 -1.046 -8.997 1.00 0.00 C ATOM 1115 C GLU A 71 79.886 -2.450 -9.602 1.00 0.00 C ATOM 1116 O GLU A 71 79.312 -2.738 -10.634 1.00 0.00 O ATOM 1117 CB GLU A 71 81.098 -0.291 -9.159 1.00 0.00 C ATOM 1118 CG GLU A 71 80.856 1.207 -8.968 1.00 0.00 C ATOM 1119 CD GLU A 71 81.429 1.975 -10.161 1.00 0.00 C ATOM 1120 OE1 GLU A 71 81.131 1.596 -11.282 1.00 0.00 O ATOM 1121 OE2 GLU A 71 82.156 2.927 -9.934 1.00 0.00 O ATOM 0 H GLU A 71 80.412 -1.211 -6.965 1.00 0.00 H new ATOM 0 HA GLU A 71 78.955 -0.543 -9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.825 -0.648 -8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.518 -0.479 -10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 71 79.788 1.404 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.325 1.547 -8.045 1.00 0.00 H new ATOM 1128 N GLU A 72 80.625 -3.321 -8.973 1.00 0.00 N ATOM 1129 CA GLU A 72 80.781 -4.697 -9.509 1.00 0.00 C ATOM 1130 C GLU A 72 79.616 -5.591 -9.071 1.00 0.00 C ATOM 1131 O GLU A 72 79.406 -6.658 -9.615 1.00 0.00 O ATOM 1132 CB GLU A 72 82.097 -5.202 -8.918 1.00 0.00 C ATOM 1133 CG GLU A 72 82.440 -6.565 -9.523 1.00 0.00 C ATOM 1134 CD GLU A 72 83.959 -6.709 -9.632 1.00 0.00 C ATOM 1135 OE1 GLU A 72 84.619 -6.593 -8.612 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.436 -6.932 -10.732 1.00 0.00 O ATOM 0 H GLU A 72 81.129 -3.135 -8.106 1.00 0.00 H new ATOM 0 HA GLU A 72 80.786 -4.711 -10.599 1.00 0.00 H new ATOM 0 HB2 GLU A 72 82.897 -4.490 -9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.013 -5.284 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 72 82.032 -7.363 -8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 72 81.983 -6.663 -10.508 1.00 0.00 H new ATOM 1143 N LYS A 73 78.862 -5.178 -8.089 1.00 0.00 N ATOM 1144 CA LYS A 73 77.721 -6.022 -7.624 1.00 0.00 C ATOM 1145 C LYS A 73 76.394 -5.492 -8.176 1.00 0.00 C ATOM 1146 O LYS A 73 75.455 -6.240 -8.355 1.00 0.00 O ATOM 1147 CB LYS A 73 77.748 -5.925 -6.099 1.00 0.00 C ATOM 1148 CG LYS A 73 79.163 -6.215 -5.594 1.00 0.00 C ATOM 1149 CD LYS A 73 79.466 -7.706 -5.750 1.00 0.00 C ATOM 1150 CE LYS A 73 80.931 -7.891 -6.151 1.00 0.00 C ATOM 1151 NZ LYS A 73 81.068 -9.344 -6.448 1.00 0.00 N ATOM 0 H LYS A 73 78.984 -4.297 -7.590 1.00 0.00 H new ATOM 0 HA LYS A 73 77.810 -7.052 -7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 73 77.434 -4.931 -5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.043 -6.635 -5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 73 79.888 -5.625 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.254 -5.922 -4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.265 -8.228 -4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.813 -8.143 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 73 81.182 -7.285 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 73 81.602 -7.587 -5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 82.047 -9.550 -6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 80.830 -9.896 -5.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 80.423 -9.603 -7.222 1.00 0.00 H new ATOM 1165 N GLN A 74 76.313 -4.212 -8.440 1.00 0.00 N ATOM 1166 CA GLN A 74 75.049 -3.620 -8.980 1.00 0.00 C ATOM 1167 C GLN A 74 74.371 -4.589 -9.949 1.00 0.00 C ATOM 1168 O GLN A 74 74.647 -4.600 -11.132 1.00 0.00 O ATOM 1169 CB GLN A 74 75.486 -2.352 -9.714 1.00 0.00 C ATOM 1170 CG GLN A 74 74.320 -1.814 -10.545 1.00 0.00 C ATOM 1171 CD GLN A 74 73.904 -0.441 -10.011 1.00 0.00 C ATOM 1172 OE1 GLN A 74 72.951 -0.330 -9.266 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.585 0.615 -10.362 1.00 0.00 N ATOM 0 H GLN A 74 77.074 -3.546 -8.304 1.00 0.00 H new ATOM 0 HA GLN A 74 74.328 -3.410 -8.190 1.00 0.00 H new ATOM 0 HB2 GLN A 74 75.813 -1.599 -8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.337 -2.568 -10.360 1.00 0.00 H new ATOM 0 HG2 GLN A 74 74.611 -1.736 -11.592 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.478 -2.504 -10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.385 0.521 -10.988 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.317 1.534 -10.011 1.00 0.00 H new ATOM 1182 N GLY A 75 73.490 -5.405 -9.448 1.00 0.00 N ATOM 1183 CA GLY A 75 72.789 -6.383 -10.327 1.00 0.00 C ATOM 1184 C GLY A 75 72.682 -7.727 -9.603 1.00 0.00 C ATOM 1185 O GLY A 75 71.603 -8.180 -9.283 1.00 0.00 O ATOM 0 H GLY A 75 73.223 -5.438 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.796 -6.014 -10.581 1.00 0.00 H new ATOM 0 HA3 GLY A 75 73.334 -6.504 -11.263 1.00 0.00 H new ATOM 1189 N ALA A 76 73.796 -8.358 -9.339 1.00 0.00 N ATOM 1190 CA ALA A 76 73.774 -9.675 -8.631 1.00 0.00 C ATOM 1191 C ALA A 76 72.568 -10.513 -9.071 1.00 0.00 C ATOM 1192 O ALA A 76 71.484 -10.386 -8.535 1.00 0.00 O ATOM 1193 CB ALA A 76 73.664 -9.321 -7.148 1.00 0.00 C ATOM 0 H ALA A 76 74.726 -8.017 -9.584 1.00 0.00 H new ATOM 0 HA ALA A 76 74.661 -10.269 -8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 76 73.642 -10.236 -6.556 1.00 0.00 H new ATOM 0 HB2 ALA A 76 74.523 -8.719 -6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 76 72.748 -8.755 -6.976 1.00 0.00 H new ATOM 1199 N GLU A 77 72.746 -11.369 -10.039 1.00 0.00 N ATOM 1200 CA GLU A 77 71.606 -12.213 -10.505 1.00 0.00 C ATOM 1201 C GLU A 77 71.140 -13.136 -9.374 1.00 0.00 C ATOM 1202 O GLU A 77 71.649 -14.225 -9.201 1.00 0.00 O ATOM 1203 CB GLU A 77 72.167 -13.031 -11.669 1.00 0.00 C ATOM 1204 CG GLU A 77 71.014 -13.566 -12.519 1.00 0.00 C ATOM 1205 CD GLU A 77 70.356 -12.410 -13.275 1.00 0.00 C ATOM 1206 OE1 GLU A 77 70.910 -11.994 -14.281 1.00 0.00 O ATOM 1207 OE2 GLU A 77 69.311 -11.959 -12.837 1.00 0.00 O ATOM 0 H GLU A 77 73.628 -11.522 -10.527 1.00 0.00 H new ATOM 0 HA GLU A 77 70.745 -11.617 -10.806 1.00 0.00 H new ATOM 0 HB2 GLU A 77 72.825 -12.412 -12.278 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.768 -13.858 -11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 77 71.383 -14.311 -13.223 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.281 -14.063 -11.884 1.00 0.00 H new ATOM 1214 N ILE A 78 70.180 -12.705 -8.602 1.00 0.00 N ATOM 1215 CA ILE A 78 69.687 -13.556 -7.480 1.00 0.00 C ATOM 1216 C ILE A 78 68.164 -13.479 -7.401 1.00 0.00 C ATOM 1217 O ILE A 78 67.538 -12.708 -8.098 1.00 0.00 O ATOM 1218 CB ILE A 78 70.298 -12.958 -6.214 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.766 -12.591 -6.452 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.212 -13.980 -5.079 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.218 -11.616 -5.367 1.00 0.00 C ATOM 0 H ILE A 78 69.716 -11.802 -8.699 1.00 0.00 H new ATOM 0 HA ILE A 78 69.963 -14.602 -7.613 1.00 0.00 H new ATOM 0 HB ILE A 78 69.746 -12.057 -5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.386 -13.488 -6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 78 71.886 -12.140 -7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.647 -13.556 -4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.168 -14.233 -4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.760 -14.880 -5.358 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.262 -11.350 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.604 -10.717 -5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.111 -12.085 -4.389 1.00 0.00 H new ATOM 1233 N ASP A 79 67.564 -14.264 -6.548 1.00 0.00 N ATOM 1234 CA ASP A 79 66.080 -14.227 -6.421 1.00 0.00 C ATOM 1235 C ASP A 79 65.443 -14.129 -7.809 1.00 0.00 C ATOM 1236 O ASP A 79 64.455 -13.448 -8.004 1.00 0.00 O ATOM 1237 CB ASP A 79 65.787 -12.968 -5.604 1.00 0.00 C ATOM 1238 CG ASP A 79 65.092 -13.357 -4.297 1.00 0.00 C ATOM 1239 OD1 ASP A 79 63.890 -13.558 -4.326 1.00 0.00 O ATOM 1240 OD2 ASP A 79 65.775 -13.447 -3.291 1.00 0.00 O ATOM 0 H ASP A 79 68.037 -14.928 -5.935 1.00 0.00 H new ATOM 0 HA ASP A 79 65.677 -15.122 -5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 79 66.714 -12.436 -5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 79 65.155 -12.289 -6.176 1.00 0.00 H new ATOM 1245 N GLY A 80 66.007 -14.801 -8.775 1.00 0.00 N ATOM 1246 CA GLY A 80 65.444 -14.745 -10.147 1.00 0.00 C ATOM 1247 C GLY A 80 65.406 -13.292 -10.624 1.00 0.00 C ATOM 1248 O GLY A 80 64.542 -12.902 -11.384 1.00 0.00 O ATOM 0 H GLY A 80 66.835 -15.387 -8.670 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.050 -15.346 -10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.440 -15.169 -10.157 1.00 0.00 H new ATOM 1252 N ARG A 81 66.338 -12.486 -10.186 1.00 0.00 N ATOM 1253 CA ARG A 81 66.349 -11.060 -10.619 1.00 0.00 C ATOM 1254 C ARG A 81 67.664 -10.397 -10.202 1.00 0.00 C ATOM 1255 O ARG A 81 68.518 -11.017 -9.600 1.00 0.00 O ATOM 1256 CB ARG A 81 65.166 -10.413 -9.896 1.00 0.00 C ATOM 1257 CG ARG A 81 65.257 -10.707 -8.398 1.00 0.00 C ATOM 1258 CD ARG A 81 63.862 -10.617 -7.776 1.00 0.00 C ATOM 1259 NE ARG A 81 63.707 -9.190 -7.381 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.541 -8.611 -7.471 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.799 -8.800 -8.528 1.00 0.00 N ATOM 1262 NH2 ARG A 81 62.117 -7.844 -6.504 1.00 0.00 N ATOM 0 H ARG A 81 67.089 -12.754 -9.550 1.00 0.00 H new ATOM 0 HA ARG A 81 66.267 -10.955 -11.701 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.167 -9.336 -10.066 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.228 -10.798 -10.296 1.00 0.00 H new ATOM 0 HG2 ARG A 81 65.676 -11.700 -8.236 1.00 0.00 H new ATOM 0 HG3 ARG A 81 65.928 -9.996 -7.917 1.00 0.00 H new ATOM 0 HD2 ARG A 81 63.092 -10.915 -8.488 1.00 0.00 H new ATOM 0 HD3 ARG A 81 63.771 -11.277 -6.914 1.00 0.00 H new ATOM 0 HE ARG A 81 64.512 -8.665 -7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 81 62.131 -9.400 -9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.888 -8.348 -8.599 1.00 0.00 H new ATOM 0 HH21 ARG A 81 62.697 -7.697 -5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 81 61.206 -7.391 -6.574 1.00 0.00 H new ATOM 1276 N SER A 82 67.837 -9.144 -10.519 1.00 0.00 N ATOM 1277 CA SER A 82 69.100 -8.453 -10.140 1.00 0.00 C ATOM 1278 C SER A 82 68.814 -7.315 -9.157 1.00 0.00 C ATOM 1279 O SER A 82 67.780 -6.678 -9.211 1.00 0.00 O ATOM 1280 CB SER A 82 69.658 -7.901 -11.449 1.00 0.00 C ATOM 1281 OG SER A 82 70.631 -8.802 -11.962 1.00 0.00 O ATOM 0 H SER A 82 67.160 -8.570 -11.023 1.00 0.00 H new ATOM 0 HA SER A 82 69.802 -9.125 -9.647 1.00 0.00 H new ATOM 0 HB2 SER A 82 68.854 -7.766 -12.172 1.00 0.00 H new ATOM 0 HB3 SER A 82 70.105 -6.921 -11.283 1.00 0.00 H new ATOM 0 HG SER A 82 70.990 -8.451 -12.804 1.00 0.00 H new ATOM 1287 N VAL A 83 69.725 -7.054 -8.262 1.00 0.00 N ATOM 1288 CA VAL A 83 69.516 -5.957 -7.276 1.00 0.00 C ATOM 1289 C VAL A 83 70.259 -4.699 -7.730 1.00 0.00 C ATOM 1290 O VAL A 83 71.217 -4.768 -8.475 1.00 0.00 O ATOM 1291 CB VAL A 83 70.098 -6.488 -5.966 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.199 -5.348 -4.951 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.185 -7.584 -5.412 1.00 0.00 C ATOM 0 H VAL A 83 70.609 -7.555 -8.170 1.00 0.00 H new ATOM 0 HA VAL A 83 68.466 -5.684 -7.170 1.00 0.00 H new ATOM 0 HB VAL A 83 71.091 -6.898 -6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 83 70.614 -5.728 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 83 70.848 -4.566 -5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.207 -4.937 -4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 83 69.598 -7.964 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.192 -7.173 -5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.113 -8.397 -6.134 1.00 0.00 H new ATOM 1303 N SER A 84 69.824 -3.550 -7.294 1.00 0.00 N ATOM 1304 CA SER A 84 70.507 -2.291 -7.707 1.00 0.00 C ATOM 1305 C SER A 84 71.149 -1.615 -6.495 1.00 0.00 C ATOM 1306 O SER A 84 70.569 -1.547 -5.429 1.00 0.00 O ATOM 1307 CB SER A 84 69.401 -1.413 -8.289 1.00 0.00 C ATOM 1308 OG SER A 84 68.799 -2.081 -9.389 1.00 0.00 O ATOM 0 H SER A 84 69.026 -3.428 -6.670 1.00 0.00 H new ATOM 0 HA SER A 84 71.305 -2.471 -8.428 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.653 -1.198 -7.526 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.812 -0.456 -8.611 1.00 0.00 H new ATOM 0 HG SER A 84 68.088 -1.520 -9.763 1.00 0.00 H new ATOM 1314 N LEU A 85 72.341 -1.111 -6.651 1.00 0.00 N ATOM 1315 CA LEU A 85 73.020 -0.436 -5.510 1.00 0.00 C ATOM 1316 C LEU A 85 72.880 1.082 -5.640 1.00 0.00 C ATOM 1317 O LEU A 85 72.946 1.629 -6.723 1.00 0.00 O ATOM 1318 CB LEU A 85 74.486 -0.857 -5.618 1.00 0.00 C ATOM 1319 CG LEU A 85 74.632 -2.311 -5.168 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.521 -3.067 -6.156 1.00 0.00 C ATOM 1321 CD2 LEU A 85 75.269 -2.350 -3.778 1.00 0.00 C ATOM 0 H LEU A 85 72.875 -1.137 -7.520 1.00 0.00 H new ATOM 0 HA LEU A 85 72.590 -0.712 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.833 -0.746 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.108 -0.209 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 85 73.649 -2.781 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.624 -4.103 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.069 -3.039 -7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.505 -2.599 -6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 85 75.374 -3.386 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 85 76.252 -1.880 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 85 74.636 -1.812 -3.072 1.00 0.00 H new ATOM 1333 N TYR A 86 72.681 1.766 -4.548 1.00 0.00 N ATOM 1334 CA TYR A 86 72.531 3.245 -4.614 1.00 0.00 C ATOM 1335 C TYR A 86 73.460 3.914 -3.606 1.00 0.00 C ATOM 1336 O TYR A 86 73.133 4.058 -2.446 1.00 0.00 O ATOM 1337 CB TYR A 86 71.081 3.510 -4.237 1.00 0.00 C ATOM 1338 CG TYR A 86 70.194 3.293 -5.437 1.00 0.00 C ATOM 1339 CD1 TYR A 86 70.109 4.274 -6.431 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.454 2.111 -5.554 1.00 0.00 C ATOM 1341 CE1 TYR A 86 69.285 4.074 -7.543 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.630 1.910 -6.665 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.544 2.891 -7.661 1.00 0.00 C ATOM 1344 OH TYR A 86 67.730 2.692 -8.757 1.00 0.00 O ATOM 0 H TYR A 86 72.616 1.364 -3.613 1.00 0.00 H new ATOM 0 HA TYR A 86 72.782 3.639 -5.599 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.780 2.847 -3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.971 4.531 -3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.680 5.186 -6.339 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.520 1.354 -4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 86 69.220 4.831 -8.310 1.00 0.00 H new ATOM 0 HE2 TYR A 86 68.059 0.998 -6.756 1.00 0.00 H new ATOM 0 HH TYR A 86 67.289 1.820 -8.683 1.00 0.00 H new ATOM 1354 N TYR A 87 74.613 4.325 -4.039 1.00 0.00 N ATOM 1355 CA TYR A 87 75.563 4.987 -3.114 1.00 0.00 C ATOM 1356 C TYR A 87 74.874 6.141 -2.386 1.00 0.00 C ATOM 1357 O TYR A 87 73.673 6.311 -2.460 1.00 0.00 O ATOM 1358 CB TYR A 87 76.677 5.517 -4.012 1.00 0.00 C ATOM 1359 CG TYR A 87 78.018 5.270 -3.366 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.503 3.963 -3.240 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.780 6.348 -2.902 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.750 3.734 -2.647 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.028 6.119 -2.310 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.512 4.812 -2.183 1.00 0.00 C ATOM 1365 OH TYR A 87 81.744 4.585 -1.602 1.00 0.00 O ATOM 0 H TYR A 87 74.940 4.230 -5.000 1.00 0.00 H new ATOM 0 HA TYR A 87 75.938 4.307 -2.350 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.636 5.027 -4.985 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.539 6.584 -4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.915 3.132 -3.600 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.406 7.356 -3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 87 80.124 2.726 -2.548 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.617 6.950 -1.952 1.00 0.00 H new ATOM 0 HH TYR A 87 81.885 5.225 -0.873 1.00 0.00 H new ATOM 1375 N THR A 88 75.628 6.939 -1.690 1.00 0.00 N ATOM 1376 CA THR A 88 75.021 8.090 -0.960 1.00 0.00 C ATOM 1377 C THR A 88 76.112 8.962 -0.339 1.00 0.00 C ATOM 1378 O THR A 88 75.921 9.576 0.691 1.00 0.00 O ATOM 1379 CB THR A 88 74.151 7.459 0.128 1.00 0.00 C ATOM 1380 OG1 THR A 88 73.471 8.482 0.842 1.00 0.00 O ATOM 1381 CG2 THR A 88 75.032 6.661 1.090 1.00 0.00 C ATOM 0 H THR A 88 76.639 6.847 -1.593 1.00 0.00 H new ATOM 0 HA THR A 88 74.441 8.735 -1.620 1.00 0.00 H new ATOM 0 HB THR A 88 73.422 6.791 -0.331 1.00 0.00 H new ATOM 0 HG1 THR A 88 74.107 9.185 1.091 1.00 0.00 H new ATOM 0 HG21 THR A 88 74.411 6.212 1.865 1.00 0.00 H new ATOM 0 HG22 THR A 88 75.552 5.876 0.541 1.00 0.00 H new ATOM 0 HG23 THR A 88 75.763 7.326 1.551 1.00 0.00 H new ATOM 1389 N GLY A 89 77.255 9.022 -0.962 1.00 0.00 N ATOM 1390 CA GLY A 89 78.361 9.857 -0.409 1.00 0.00 C ATOM 1391 C GLY A 89 78.876 10.826 -1.465 1.00 0.00 C ATOM 1392 O GLY A 89 79.698 11.680 -1.200 1.00 0.00 O ATOM 0 H GLY A 89 77.473 8.531 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 89 78.007 10.411 0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 89 79.174 9.215 -0.068 1.00 0.00 H new ATOM 1396 N GLU A 90 78.391 10.691 -2.650 1.00 0.00 N ATOM 1397 CA GLU A 90 78.825 11.588 -3.762 1.00 0.00 C ATOM 1398 C GLU A 90 78.236 11.106 -5.091 1.00 0.00 C ATOM 1399 O GLU A 90 78.843 11.243 -6.135 1.00 0.00 O ATOM 1400 CB GLU A 90 80.351 11.483 -3.794 1.00 0.00 C ATOM 1401 CG GLU A 90 80.765 10.012 -3.726 1.00 0.00 C ATOM 1402 CD GLU A 90 81.703 9.796 -2.537 1.00 0.00 C ATOM 1403 OE1 GLU A 90 81.745 10.659 -1.675 1.00 0.00 O ATOM 1404 OE2 GLU A 90 82.364 8.771 -2.508 1.00 0.00 O ATOM 0 H GLU A 90 77.699 9.989 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 90 78.489 12.614 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 90 80.738 11.939 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.781 12.032 -2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 90 79.883 9.380 -3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 90 81.262 9.721 -4.651 1.00 0.00 H new ATOM 1411 N LYS A 91 77.061 10.539 -5.063 1.00 0.00 N ATOM 1412 CA LYS A 91 76.440 10.047 -6.328 1.00 0.00 C ATOM 1413 C LYS A 91 75.112 10.764 -6.582 1.00 0.00 C ATOM 1414 O LYS A 91 74.653 10.859 -7.702 1.00 0.00 O ATOM 1415 CB LYS A 91 76.209 8.553 -6.097 1.00 0.00 C ATOM 1416 CG LYS A 91 76.395 7.797 -7.414 1.00 0.00 C ATOM 1417 CD LYS A 91 76.639 6.316 -7.121 1.00 0.00 C ATOM 1418 CE LYS A 91 77.043 5.599 -8.411 1.00 0.00 C ATOM 1419 NZ LYS A 91 78.444 6.034 -8.669 1.00 0.00 N ATOM 0 H LYS A 91 76.504 10.395 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 91 77.070 10.234 -7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 91 76.907 8.178 -5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 91 75.205 8.386 -5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 91 75.511 7.914 -8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 91 77.236 8.213 -7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 91 77.423 6.207 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 91 75.738 5.863 -6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 91 76.980 4.517 -8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 91 76.386 5.872 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 78.491 6.531 -9.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 78.754 6.674 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 79.067 5.201 -8.696 1.00 0.00 H new ATOM 1433 N GLY A 92 74.492 11.270 -5.551 1.00 0.00 N ATOM 1434 CA GLY A 92 73.194 11.979 -5.738 1.00 0.00 C ATOM 1435 C GLY A 92 73.288 12.907 -6.949 1.00 0.00 C ATOM 1436 O GLY A 92 74.353 13.369 -7.309 1.00 0.00 O ATOM 0 H GLY A 92 74.827 11.223 -4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 92 72.391 11.257 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 92 72.950 12.554 -4.845 1.00 0.00 H new ATOM 1440 N GLY A 93 72.182 13.182 -7.585 1.00 0.00 N ATOM 1441 CA GLY A 93 72.209 14.080 -8.774 1.00 0.00 C ATOM 1442 C GLY A 93 71.918 13.266 -10.036 1.00 0.00 C ATOM 1443 O GLY A 93 72.119 12.068 -10.074 1.00 0.00 O ATOM 0 H GLY A 93 71.261 12.824 -7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 93 71.469 14.872 -8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 93 73.183 14.563 -8.856 1.00 0.00 H new ATOM 1447 N THR A 94 71.446 13.907 -11.070 1.00 0.00 N ATOM 1448 CA THR A 94 71.141 13.169 -12.329 1.00 0.00 C ATOM 1449 C THR A 94 71.934 13.765 -13.495 1.00 0.00 C ATOM 1450 O THR A 94 73.075 14.155 -13.345 1.00 0.00 O ATOM 1451 CB THR A 94 69.640 13.360 -12.547 1.00 0.00 C ATOM 1452 OG1 THR A 94 69.206 12.518 -13.607 1.00 0.00 O ATOM 1453 CG2 THR A 94 69.356 14.820 -12.903 1.00 0.00 C ATOM 0 H THR A 94 71.258 14.909 -11.098 1.00 0.00 H new ATOM 0 HA THR A 94 71.412 12.115 -12.267 1.00 0.00 H new ATOM 0 HB THR A 94 69.104 13.101 -11.634 1.00 0.00 H new ATOM 0 HG1 THR A 94 68.243 12.638 -13.747 1.00 0.00 H new ATOM 0 HG21 THR A 94 68.286 14.955 -13.058 1.00 0.00 H new ATOM 0 HG22 THR A 94 69.689 15.464 -12.089 1.00 0.00 H new ATOM 0 HG23 THR A 94 69.891 15.083 -13.816 1.00 0.00 H new ATOM 1461 N ARG A 95 71.336 13.843 -14.654 1.00 0.00 N ATOM 1462 CA ARG A 95 72.044 14.416 -15.827 1.00 0.00 C ATOM 1463 C ARG A 95 71.197 14.242 -17.090 1.00 0.00 C ATOM 1464 O ARG A 95 70.850 13.140 -17.469 1.00 0.00 O ATOM 1465 CB ARG A 95 73.351 13.629 -15.943 1.00 0.00 C ATOM 1466 CG ARG A 95 73.067 12.135 -15.770 1.00 0.00 C ATOM 1467 CD ARG A 95 74.372 11.347 -15.917 1.00 0.00 C ATOM 1468 NE ARG A 95 74.254 10.650 -17.228 1.00 0.00 N ATOM 1469 CZ ARG A 95 74.261 9.346 -17.276 1.00 0.00 C ATOM 1470 NH1 ARG A 95 75.394 8.699 -17.264 1.00 0.00 N ATOM 1471 NH2 ARG A 95 73.135 8.689 -17.334 1.00 0.00 N ATOM 0 H ARG A 95 70.382 13.532 -14.836 1.00 0.00 H new ATOM 0 HA ARG A 95 72.229 15.484 -15.710 1.00 0.00 H new ATOM 0 HB2 ARG A 95 73.813 13.812 -16.913 1.00 0.00 H new ATOM 0 HB3 ARG A 95 74.058 13.965 -15.185 1.00 0.00 H new ATOM 0 HG2 ARG A 95 72.626 11.949 -14.791 1.00 0.00 H new ATOM 0 HG3 ARG A 95 72.343 11.803 -16.514 1.00 0.00 H new ATOM 0 HD2 ARG A 95 75.238 12.009 -15.898 1.00 0.00 H new ATOM 0 HD3 ARG A 95 74.498 10.635 -15.101 1.00 0.00 H new ATOM 0 HE ARG A 95 74.168 11.192 -18.088 1.00 0.00 H new ATOM 0 HH11 ARG A 95 76.274 9.213 -17.217 1.00 0.00 H new ATOM 0 HH12 ARG A 95 75.400 7.680 -17.301 1.00 0.00 H new ATOM 0 HH21 ARG A 95 72.249 9.195 -17.342 1.00 0.00 H new ATOM 0 HH22 ARG A 95 73.141 7.670 -17.372 1.00 0.00 H new ATOM 1485 N GLY A 96 70.863 15.320 -17.745 1.00 0.00 N ATOM 1486 CA GLY A 96 70.040 15.215 -18.983 1.00 0.00 C ATOM 1487 C GLY A 96 70.796 15.842 -20.155 1.00 0.00 C ATOM 1488 O GLY A 96 72.015 15.807 -20.133 1.00 0.00 O ATOM 1489 OXT GLY A 96 70.144 16.346 -21.054 1.00 0.00 O ATOM 0 H GLY A 96 71.124 16.269 -17.477 1.00 0.00 H new ATOM 0 HA2 GLY A 96 69.819 14.169 -19.197 1.00 0.00 H new ATOM 0 HA3 GLY A 96 69.085 15.720 -18.841 1.00 0.00 H new TER 1493 GLY A 96