USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 687 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 13 THR OG1 : rot 180:sc= -0.119 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= -0.147 USER MOD Set 2.1: A 28 LYS NZ :NH3+ -169:sc= 0.123 (180deg=0) USER MOD Set 2.2: A 29 ASN : amide:sc= -1.61! C(o=-1.5!,f=-7!) USER MOD Set 3.1: A 22 LYS NZ :NH3+ -118:sc= -0.0233 (180deg=-0.26) USER MOD Set 3.2: A 24 GLN : amide:sc= -5.22! C(o=-5.2!,f=-12!) USER MOD Single : A 1 THR N :NH3+ -148:sc= 0.656 (180deg=0.103) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.237 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 84:sc= 0.237 USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= 0.0509 (180deg=0.00737) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 159:sc= 1.25 USER MOD Single : A 17 GLN :FLIP amide:sc= -3.73! C(o=-5!,f=-3.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -155:sc= -2.24 (180deg=-3.81!) USER MOD Single : A 33 HIS : no HD1:sc= -3.64 K(o=-3.6,f=-5.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -82:sc= 1.28 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.291 K(o=-0.29,f=-10!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -154:sc= 0.116 USER MOD Single : A 50 TYR OH : rot -22:sc= 1.23 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 84:sc= 1.15 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.424 K(o=-0.42,f=-3.8!) USER MOD Single : A 71 SER OG : rot -60:sc= 1.17 USER MOD Single : A 72 SER OG : rot 32:sc= 0.996 USER MOD Single : A 77 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0869) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 24.048 -3.825 -7.106 1.00 0.00 N ATOM 2 CA THR A 1 23.673 -4.821 -6.062 1.00 0.00 C ATOM 3 C THR A 1 22.214 -4.626 -5.645 1.00 0.00 C ATOM 4 O THR A 1 21.926 -4.134 -4.571 1.00 0.00 O ATOM 5 CB THR A 1 24.611 -4.535 -4.889 1.00 0.00 C ATOM 6 OG1 THR A 1 24.988 -3.165 -4.909 1.00 0.00 O ATOM 7 CG2 THR A 1 25.859 -5.411 -5.006 1.00 0.00 C ATOM 0 H1 THR A 1 24.753 -4.242 -7.747 1.00 0.00 H new ATOM 0 H2 THR A 1 23.203 -3.556 -7.649 1.00 0.00 H new ATOM 0 H3 THR A 1 24.450 -2.981 -6.652 1.00 0.00 H new ATOM 0 HA THR A 1 23.766 -5.848 -6.417 1.00 0.00 H new ATOM 0 HB THR A 1 24.100 -4.758 -3.952 1.00 0.00 H new ATOM 0 HG1 THR A 1 25.588 -2.980 -4.157 1.00 0.00 H new ATOM 0 HG21 THR A 1 26.527 -5.206 -4.169 1.00 0.00 H new ATOM 0 HG22 THR A 1 25.569 -6.462 -4.990 1.00 0.00 H new ATOM 0 HG23 THR A 1 26.372 -5.190 -5.942 1.00 0.00 H new ATOM 17 N LYS A 2 21.290 -5.003 -6.485 1.00 0.00 N ATOM 18 CA LYS A 2 19.851 -4.836 -6.134 1.00 0.00 C ATOM 19 C LYS A 2 19.617 -3.453 -5.519 1.00 0.00 C ATOM 20 O LYS A 2 19.702 -3.274 -4.320 1.00 0.00 O ATOM 21 CB LYS A 2 19.562 -5.935 -5.112 1.00 0.00 C ATOM 22 CG LYS A 2 20.041 -7.280 -5.663 1.00 0.00 C ATOM 23 CD LYS A 2 20.958 -7.953 -4.641 1.00 0.00 C ATOM 24 CE LYS A 2 20.840 -9.473 -4.778 1.00 0.00 C ATOM 25 NZ LYS A 2 20.351 -9.941 -3.451 1.00 0.00 N ATOM 0 H LYS A 2 21.469 -5.419 -7.399 1.00 0.00 H new ATOM 0 HA LYS A 2 19.200 -4.911 -7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 2 20.067 -5.714 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.494 -5.977 -4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.187 -7.922 -5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.573 -7.131 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.990 -7.641 -4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.685 -7.645 -3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.146 -9.745 -5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.801 -9.923 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.245 -10.975 -3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.035 -9.673 -2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.431 -9.501 -3.245 1.00 0.00 H new ATOM 39 N ALA A 3 19.324 -2.476 -6.332 1.00 0.00 N ATOM 40 CA ALA A 3 19.086 -1.106 -5.795 1.00 0.00 C ATOM 41 C ALA A 3 17.706 -1.029 -5.136 1.00 0.00 C ATOM 42 O ALA A 3 16.703 -1.368 -5.732 1.00 0.00 O ATOM 43 CB ALA A 3 19.153 -0.187 -7.015 1.00 0.00 C ATOM 0 H ALA A 3 19.239 -2.567 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 3 19.815 -0.826 -5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.987 0.844 -6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 3 20.135 -0.272 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.385 -0.477 -7.732 1.00 0.00 H new ATOM 49 N SER A 4 17.648 -0.588 -3.909 1.00 0.00 N ATOM 50 CA SER A 4 16.333 -0.492 -3.212 1.00 0.00 C ATOM 51 C SER A 4 15.372 0.389 -4.015 1.00 0.00 C ATOM 52 O SER A 4 15.673 0.809 -5.115 1.00 0.00 O ATOM 53 CB SER A 4 16.637 0.148 -1.856 1.00 0.00 C ATOM 54 OG SER A 4 18.042 0.308 -1.708 1.00 0.00 O ATOM 0 H SER A 4 18.454 -0.290 -3.359 1.00 0.00 H new ATOM 0 HA SER A 4 15.858 -1.467 -3.101 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.141 1.115 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.245 -0.475 -1.052 1.00 0.00 H new ATOM 0 HG SER A 4 18.324 1.139 -2.144 1.00 0.00 H new ATOM 60 N CYS A 5 14.217 0.669 -3.474 1.00 0.00 N ATOM 61 CA CYS A 5 13.235 1.520 -4.207 1.00 0.00 C ATOM 62 C CYS A 5 13.123 2.894 -3.536 1.00 0.00 C ATOM 63 O CYS A 5 14.053 3.369 -2.914 1.00 0.00 O ATOM 64 CB CYS A 5 11.904 0.771 -4.110 1.00 0.00 C ATOM 65 SG CYS A 5 12.159 -0.992 -4.448 1.00 0.00 S ATOM 0 H CYS A 5 13.911 0.345 -2.556 1.00 0.00 H new ATOM 0 HA CYS A 5 13.532 1.691 -5.242 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.476 0.901 -3.116 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.191 1.187 -4.822 1.00 0.00 H new ATOM 70 N LYS A 6 11.989 3.531 -3.654 1.00 0.00 N ATOM 71 CA LYS A 6 11.813 4.870 -3.019 1.00 0.00 C ATOM 72 C LYS A 6 10.349 5.071 -2.616 1.00 0.00 C ATOM 73 O LYS A 6 9.463 5.076 -3.447 1.00 0.00 O ATOM 74 CB LYS A 6 12.218 5.878 -4.097 1.00 0.00 C ATOM 75 CG LYS A 6 11.154 5.911 -5.193 1.00 0.00 C ATOM 76 CD LYS A 6 11.760 6.484 -6.476 1.00 0.00 C ATOM 77 CE LYS A 6 10.961 5.991 -7.683 1.00 0.00 C ATOM 78 NZ LYS A 6 11.962 5.318 -8.557 1.00 0.00 N ATOM 0 H LYS A 6 11.177 3.182 -4.163 1.00 0.00 H new ATOM 0 HA LYS A 6 12.411 4.982 -2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.333 6.869 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.184 5.603 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.773 4.906 -5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.308 6.520 -4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.750 7.573 -6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.802 6.178 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.174 5.301 -7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.477 6.819 -8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.558 5.179 -9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.815 5.909 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.214 4.395 -8.149 1.00 0.00 H new ATOM 92 N LEU A 7 10.093 5.234 -1.345 1.00 0.00 N ATOM 93 CA LEU A 7 8.688 5.431 -0.874 1.00 0.00 C ATOM 94 C LEU A 7 7.912 6.332 -1.848 1.00 0.00 C ATOM 95 O LEU A 7 8.050 7.538 -1.810 1.00 0.00 O ATOM 96 CB LEU A 7 8.822 6.113 0.490 1.00 0.00 C ATOM 97 CG LEU A 7 9.659 7.386 0.347 1.00 0.00 C ATOM 98 CD1 LEU A 7 8.836 8.592 0.805 1.00 0.00 C ATOM 99 CD2 LEU A 7 10.916 7.270 1.214 1.00 0.00 C ATOM 0 H LEU A 7 10.799 5.239 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 7 8.141 4.490 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.836 6.357 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.292 5.435 1.202 1.00 0.00 H new ATOM 0 HG LEU A 7 9.946 7.516 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.432 9.499 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.940 8.676 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.549 8.462 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.513 8.176 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.628 7.140 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.503 6.411 0.890 1.00 0.00 H new ATOM 111 N PRO A 8 7.113 5.718 -2.691 1.00 0.00 N ATOM 112 CA PRO A 8 6.312 6.484 -3.677 1.00 0.00 C ATOM 113 C PRO A 8 5.311 7.401 -2.961 1.00 0.00 C ATOM 114 O PRO A 8 4.972 8.463 -3.445 1.00 0.00 O ATOM 115 CB PRO A 8 5.584 5.381 -4.452 1.00 0.00 C ATOM 116 CG PRO A 8 5.998 4.013 -3.874 1.00 0.00 C ATOM 117 CD PRO A 8 6.971 4.242 -2.709 1.00 0.00 C ATOM 0 HA PRO A 8 6.911 7.135 -4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.505 5.513 -4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.835 5.435 -5.511 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.119 3.467 -3.530 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.470 3.404 -4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.573 3.862 -1.768 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.927 3.745 -2.875 1.00 0.00 H new ATOM 125 N VAL A 9 4.836 6.995 -1.814 1.00 0.00 N ATOM 126 CA VAL A 9 3.857 7.841 -1.072 1.00 0.00 C ATOM 127 C VAL A 9 4.358 8.107 0.352 1.00 0.00 C ATOM 128 O VAL A 9 5.358 7.566 0.779 1.00 0.00 O ATOM 129 CB VAL A 9 2.569 7.019 -1.043 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.401 7.910 -0.614 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.293 6.457 -2.439 1.00 0.00 C ATOM 0 H VAL A 9 5.083 6.116 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 9 3.710 8.813 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 9 2.679 6.199 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.483 7.322 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.596 8.312 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.290 8.731 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.375 5.870 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.184 7.279 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.123 5.821 -2.746 1.00 0.00 H new ATOM 141 N LYS A 10 3.670 8.937 1.090 1.00 0.00 N ATOM 142 CA LYS A 10 4.109 9.236 2.485 1.00 0.00 C ATOM 143 C LYS A 10 3.133 8.622 3.491 1.00 0.00 C ATOM 144 O LYS A 10 3.164 8.927 4.667 1.00 0.00 O ATOM 145 CB LYS A 10 4.088 10.762 2.587 1.00 0.00 C ATOM 146 CG LYS A 10 4.932 11.360 1.462 1.00 0.00 C ATOM 147 CD LYS A 10 5.590 12.652 1.948 1.00 0.00 C ATOM 148 CE LYS A 10 6.917 12.856 1.214 1.00 0.00 C ATOM 149 NZ LYS A 10 6.553 13.552 -0.051 1.00 0.00 N ATOM 0 H LYS A 10 2.824 9.420 0.788 1.00 0.00 H new ATOM 0 HA LYS A 10 5.094 8.823 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.063 11.127 2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.477 11.078 3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.694 10.647 1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.307 11.563 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.929 13.500 1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.761 12.604 3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.609 13.453 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.408 11.904 1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.412 13.727 -0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.899 12.957 -0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.094 14.458 0.171 1.00 0.00 H new ATOM 163 N LYS A 11 2.266 7.758 3.041 1.00 0.00 N ATOM 164 CA LYS A 11 1.289 7.127 3.973 1.00 0.00 C ATOM 165 C LYS A 11 0.753 5.825 3.372 1.00 0.00 C ATOM 166 O LYS A 11 -0.433 5.563 3.394 1.00 0.00 O ATOM 167 CB LYS A 11 0.162 8.152 4.118 1.00 0.00 C ATOM 168 CG LYS A 11 0.469 9.088 5.289 1.00 0.00 C ATOM 169 CD LYS A 11 -0.786 9.885 5.647 1.00 0.00 C ATOM 170 CE LYS A 11 -0.542 11.372 5.379 1.00 0.00 C ATOM 171 NZ LYS A 11 -0.343 11.974 6.726 1.00 0.00 N ATOM 0 H LYS A 11 2.191 7.461 2.068 1.00 0.00 H new ATOM 0 HA LYS A 11 1.738 6.874 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.058 8.726 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.787 7.643 4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.805 8.511 6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.280 9.766 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.633 9.533 5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.040 9.731 6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.333 11.521 4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.389 11.825 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.170 12.995 6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.194 11.821 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.474 11.527 7.189 1.00 0.00 H new ATOM 185 N ALA A 12 1.616 5.010 2.832 1.00 0.00 N ATOM 186 CA ALA A 12 1.147 3.729 2.225 1.00 0.00 C ATOM 187 C ALA A 12 1.156 2.603 3.265 1.00 0.00 C ATOM 188 O ALA A 12 2.176 2.290 3.841 1.00 0.00 O ATOM 189 CB ALA A 12 2.146 3.434 1.105 1.00 0.00 C ATOM 0 H ALA A 12 2.622 5.173 2.784 1.00 0.00 H new ATOM 0 HA ALA A 12 0.125 3.802 1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.870 2.504 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.134 4.250 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.147 3.337 1.526 1.00 0.00 H new ATOM 195 N THR A 13 0.029 1.989 3.504 1.00 0.00 N ATOM 196 CA THR A 13 -0.016 0.880 4.503 1.00 0.00 C ATOM 197 C THR A 13 0.013 -0.473 3.787 1.00 0.00 C ATOM 198 O THR A 13 -0.987 -0.937 3.273 1.00 0.00 O ATOM 199 CB THR A 13 -1.340 1.066 5.246 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.420 2.396 5.738 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.416 0.080 6.413 1.00 0.00 C ATOM 0 H THR A 13 -0.860 2.205 3.053 1.00 0.00 H new ATOM 0 HA THR A 13 0.836 0.900 5.182 1.00 0.00 H new ATOM 0 HB THR A 13 -2.170 0.880 4.565 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.268 2.519 6.213 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.360 0.214 6.941 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.354 -0.940 6.032 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.588 0.262 7.098 1.00 0.00 H new ATOM 209 N VAL A 14 1.152 -1.108 3.747 1.00 0.00 N ATOM 210 CA VAL A 14 1.248 -2.430 3.061 1.00 0.00 C ATOM 211 C VAL A 14 1.303 -3.561 4.093 1.00 0.00 C ATOM 212 O VAL A 14 1.408 -3.328 5.280 1.00 0.00 O ATOM 213 CB VAL A 14 2.552 -2.364 2.268 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.592 -1.068 1.459 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.738 -2.397 3.235 1.00 0.00 C ATOM 0 H VAL A 14 2.021 -0.769 4.159 1.00 0.00 H new ATOM 0 HA VAL A 14 0.388 -2.629 2.421 1.00 0.00 H new ATOM 0 HB VAL A 14 2.609 -3.217 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.522 -1.021 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.747 -1.042 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.535 -0.215 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.669 -2.350 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.680 -1.544 3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.710 -3.321 3.813 1.00 0.00 H new ATOM 225 N VAL A 15 1.235 -4.784 3.646 1.00 0.00 N ATOM 226 CA VAL A 15 1.284 -5.929 4.598 1.00 0.00 C ATOM 227 C VAL A 15 2.448 -6.859 4.245 1.00 0.00 C ATOM 228 O VAL A 15 2.393 -7.602 3.285 1.00 0.00 O ATOM 229 CB VAL A 15 -0.053 -6.650 4.423 1.00 0.00 C ATOM 230 CG1 VAL A 15 -0.023 -7.980 5.178 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.179 -5.776 4.981 1.00 0.00 C ATOM 0 H VAL A 15 1.148 -5.040 2.663 1.00 0.00 H new ATOM 0 HA VAL A 15 1.438 -5.604 5.627 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.226 -6.839 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.977 -8.492 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.779 -8.604 4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.151 -7.793 6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.133 -6.289 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.003 -5.588 6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.204 -4.828 4.444 1.00 0.00 H new ATOM 241 N TYR A 16 3.501 -6.822 5.013 1.00 0.00 N ATOM 242 CA TYR A 16 4.668 -7.702 4.722 1.00 0.00 C ATOM 243 C TYR A 16 4.395 -9.118 5.232 1.00 0.00 C ATOM 244 O TYR A 16 3.312 -9.645 5.075 1.00 0.00 O ATOM 245 CB TYR A 16 5.839 -7.067 5.473 1.00 0.00 C ATOM 246 CG TYR A 16 7.108 -7.274 4.681 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.263 -8.424 3.897 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.128 -6.316 4.726 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.437 -8.617 3.160 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.304 -6.509 3.989 1.00 0.00 C ATOM 251 CZ TYR A 16 9.457 -7.660 3.206 1.00 0.00 C ATOM 252 OH TYR A 16 10.615 -7.849 2.478 1.00 0.00 O ATOM 0 H TYR A 16 3.604 -6.220 5.830 1.00 0.00 H new ATOM 0 HA TYR A 16 4.873 -7.786 3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.658 -6.002 5.620 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.937 -7.513 6.463 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.476 -9.163 3.861 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.008 -5.428 5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.556 -9.504 2.556 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.092 -5.771 4.025 1.00 0.00 H new ATOM 0 HH TYR A 16 11.061 -6.987 2.343 1.00 0.00 H new ATOM 262 N GLN A 17 5.369 -9.741 5.832 1.00 0.00 N ATOM 263 CA GLN A 17 5.170 -11.126 6.348 1.00 0.00 C ATOM 264 C GLN A 17 4.136 -11.135 7.478 1.00 0.00 C ATOM 265 O GLN A 17 4.425 -11.524 8.593 1.00 0.00 O ATOM 266 CB GLN A 17 6.540 -11.552 6.872 1.00 0.00 C ATOM 267 CG GLN A 17 7.537 -11.603 5.714 1.00 0.00 C ATOM 268 CD GLN A 17 8.742 -10.714 6.035 1.00 0.00 C ATOM 269 OE1 GLN A 17 9.726 -11.201 6.741 1.00 0.00 O flip ATOM 270 NE2 GLN A 17 8.786 -9.566 5.640 1.00 0.00 N flip ATOM 0 H GLN A 17 6.298 -9.351 5.989 1.00 0.00 H new ATOM 0 HA GLN A 17 4.797 -11.801 5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.885 -10.850 7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.471 -12.530 7.349 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.864 -12.629 5.547 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.059 -11.267 4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.016 -9.187 5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.592 -8.982 5.860 1.00 0.00 H new ATOM 279 N GLY A 18 2.932 -10.716 7.201 1.00 0.00 N ATOM 280 CA GLY A 18 1.881 -10.706 8.259 1.00 0.00 C ATOM 281 C GLY A 18 2.049 -9.467 9.140 1.00 0.00 C ATOM 282 O GLY A 18 1.776 -9.495 10.323 1.00 0.00 O ATOM 0 H GLY A 18 2.630 -10.380 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.891 -10.708 7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.954 -11.608 8.866 1.00 0.00 H new ATOM 286 N GLU A 19 2.495 -8.377 8.576 1.00 0.00 N ATOM 287 CA GLU A 19 2.677 -7.139 9.389 1.00 0.00 C ATOM 288 C GLU A 19 2.180 -5.913 8.619 1.00 0.00 C ATOM 289 O GLU A 19 2.586 -5.661 7.502 1.00 0.00 O ATOM 290 CB GLU A 19 4.185 -7.042 9.631 1.00 0.00 C ATOM 291 CG GLU A 19 4.721 -8.399 10.093 1.00 0.00 C ATOM 292 CD GLU A 19 6.156 -8.236 10.599 1.00 0.00 C ATOM 293 OE1 GLU A 19 6.339 -7.550 11.591 1.00 0.00 O ATOM 294 OE2 GLU A 19 7.048 -8.800 9.985 1.00 0.00 O ATOM 0 H GLU A 19 2.741 -8.290 7.590 1.00 0.00 H new ATOM 0 HA GLU A 19 2.113 -7.175 10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.691 -6.733 8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.394 -6.282 10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.089 -8.801 10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.693 -9.112 9.269 1.00 0.00 H new ATOM 301 N ARG A 20 1.306 -5.144 9.213 1.00 0.00 N ATOM 302 CA ARG A 20 0.787 -3.929 8.519 1.00 0.00 C ATOM 303 C ARG A 20 1.548 -2.689 8.999 1.00 0.00 C ATOM 304 O ARG A 20 1.556 -2.371 10.171 1.00 0.00 O ATOM 305 CB ARG A 20 -0.686 -3.839 8.917 1.00 0.00 C ATOM 306 CG ARG A 20 -1.424 -5.094 8.449 1.00 0.00 C ATOM 307 CD ARG A 20 -2.319 -5.611 9.579 1.00 0.00 C ATOM 308 NE ARG A 20 -3.488 -6.228 8.895 1.00 0.00 N ATOM 309 CZ ARG A 20 -4.305 -6.997 9.563 1.00 0.00 C ATOM 310 NH1 ARG A 20 -4.465 -6.818 10.846 1.00 0.00 N ATOM 311 NH2 ARG A 20 -4.959 -7.945 8.950 1.00 0.00 N ATOM 0 H ARG A 20 0.930 -5.304 10.147 1.00 0.00 H new ATOM 0 HA ARG A 20 0.911 -3.985 7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.775 -3.735 9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.139 -2.952 8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.026 -4.868 7.569 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.708 -5.862 8.157 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.794 -6.340 10.196 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.630 -4.800 10.238 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.651 -6.050 7.904 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.952 -6.078 11.326 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.103 -7.418 11.369 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.832 -8.086 7.948 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.597 -8.545 9.473 1.00 0.00 H new ATOM 325 N VAL A 21 2.190 -1.988 8.105 1.00 0.00 N ATOM 326 CA VAL A 21 2.950 -0.774 8.518 1.00 0.00 C ATOM 327 C VAL A 21 2.948 0.263 7.394 1.00 0.00 C ATOM 328 O VAL A 21 2.669 -0.044 6.251 1.00 0.00 O ATOM 329 CB VAL A 21 4.369 -1.271 8.786 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.344 -2.293 9.924 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.923 -1.929 7.521 1.00 0.00 C ATOM 0 H VAL A 21 2.221 -2.203 7.108 1.00 0.00 H new ATOM 0 HA VAL A 21 2.513 -0.291 9.392 1.00 0.00 H new ATOM 0 HB VAL A 21 5.003 -0.430 9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.356 -2.648 10.116 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.947 -1.825 10.825 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.711 -3.135 9.643 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.936 -2.285 7.710 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.289 -2.770 7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.939 -1.201 6.710 1.00 0.00 H new ATOM 341 N LYS A 22 3.256 1.491 7.710 1.00 0.00 N ATOM 342 CA LYS A 22 3.271 2.549 6.663 1.00 0.00 C ATOM 343 C LYS A 22 4.662 2.657 6.030 1.00 0.00 C ATOM 344 O LYS A 22 5.628 3.000 6.682 1.00 0.00 O ATOM 345 CB LYS A 22 2.915 3.838 7.403 1.00 0.00 C ATOM 346 CG LYS A 22 1.430 3.823 7.769 1.00 0.00 C ATOM 347 CD LYS A 22 0.673 4.803 6.869 1.00 0.00 C ATOM 348 CE LYS A 22 -0.321 5.606 7.710 1.00 0.00 C ATOM 349 NZ LYS A 22 0.512 6.585 8.465 1.00 0.00 N ATOM 0 H LYS A 22 3.498 1.807 8.649 1.00 0.00 H new ATOM 0 HA LYS A 22 2.575 2.336 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.521 3.932 8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.137 4.702 6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.026 2.818 7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.300 4.099 8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.374 5.476 6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.146 4.260 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.051 6.113 7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.879 4.958 8.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.412 6.411 9.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.509 6.476 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.196 7.551 8.246 1.00 0.00 H new ATOM 363 N ILE A 23 4.769 2.370 4.762 1.00 0.00 N ATOM 364 CA ILE A 23 6.092 2.458 4.080 1.00 0.00 C ATOM 365 C ILE A 23 6.790 3.768 4.448 1.00 0.00 C ATOM 366 O ILE A 23 7.996 3.822 4.593 1.00 0.00 O ATOM 367 CB ILE A 23 5.767 2.428 2.587 1.00 0.00 C ATOM 368 CG1 ILE A 23 7.057 2.225 1.788 1.00 0.00 C ATOM 369 CG2 ILE A 23 5.120 3.754 2.181 1.00 0.00 C ATOM 370 CD1 ILE A 23 6.734 2.209 0.293 1.00 0.00 C ATOM 0 H ILE A 23 3.995 2.077 4.166 1.00 0.00 H new ATOM 0 HA ILE A 23 6.762 1.648 4.370 1.00 0.00 H new ATOM 0 HB ILE A 23 5.079 1.608 2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.764 3.024 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.533 1.289 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.887 3.734 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.202 3.900 2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.809 4.573 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.652 2.065 -0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.042 1.394 0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.277 3.157 0.009 1.00 0.00 H new ATOM 382 N GLN A 24 6.042 4.826 4.597 1.00 0.00 N ATOM 383 CA GLN A 24 6.664 6.133 4.951 1.00 0.00 C ATOM 384 C GLN A 24 7.459 6.003 6.254 1.00 0.00 C ATOM 385 O GLN A 24 8.285 6.835 6.575 1.00 0.00 O ATOM 386 CB GLN A 24 5.492 7.098 5.130 1.00 0.00 C ATOM 387 CG GLN A 24 4.433 6.453 6.026 1.00 0.00 C ATOM 388 CD GLN A 24 4.140 7.373 7.213 1.00 0.00 C ATOM 389 OE1 GLN A 24 4.807 7.306 8.227 1.00 0.00 O ATOM 390 NE2 GLN A 24 3.164 8.232 7.129 1.00 0.00 N ATOM 0 H GLN A 24 5.028 4.842 4.489 1.00 0.00 H new ATOM 0 HA GLN A 24 7.360 6.479 4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.840 8.031 5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.061 7.347 4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.521 6.274 5.457 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.783 5.484 6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.605 8.287 6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.959 8.849 7.915 1.00 0.00 H new ATOM 399 N GLU A 25 7.217 4.964 7.008 1.00 0.00 N ATOM 400 CA GLU A 25 7.959 4.780 8.290 1.00 0.00 C ATOM 401 C GLU A 25 8.931 3.601 8.181 1.00 0.00 C ATOM 402 O GLU A 25 10.130 3.762 8.290 1.00 0.00 O ATOM 403 CB GLU A 25 6.882 4.495 9.336 1.00 0.00 C ATOM 404 CG GLU A 25 6.233 5.811 9.771 1.00 0.00 C ATOM 405 CD GLU A 25 6.598 6.105 11.228 1.00 0.00 C ATOM 406 OE1 GLU A 25 5.991 5.510 12.102 1.00 0.00 O ATOM 407 OE2 GLU A 25 7.481 6.919 11.443 1.00 0.00 O ATOM 0 H GLU A 25 6.538 4.235 6.792 1.00 0.00 H new ATOM 0 HA GLU A 25 8.555 5.655 8.548 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.128 3.824 8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.321 3.991 10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.571 6.625 9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.150 5.748 9.662 1.00 0.00 H new ATOM 414 N LYS A 26 8.425 2.416 7.970 1.00 0.00 N ATOM 415 CA LYS A 26 9.326 1.231 7.857 1.00 0.00 C ATOM 416 C LYS A 26 10.301 1.419 6.690 1.00 0.00 C ATOM 417 O LYS A 26 11.458 1.057 6.772 1.00 0.00 O ATOM 418 CB LYS A 26 8.397 0.047 7.594 1.00 0.00 C ATOM 419 CG LYS A 26 9.229 -1.185 7.234 1.00 0.00 C ATOM 420 CD LYS A 26 9.042 -2.263 8.306 1.00 0.00 C ATOM 421 CE LYS A 26 9.558 -3.603 7.777 1.00 0.00 C ATOM 422 NZ LYS A 26 9.033 -4.622 8.728 1.00 0.00 N ATOM 0 H LYS A 26 7.430 2.217 7.871 1.00 0.00 H new ATOM 0 HA LYS A 26 9.927 1.083 8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.791 -0.156 8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.709 0.284 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.925 -1.570 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.282 -0.915 7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.580 -1.986 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.989 -2.347 8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.204 -3.790 6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.647 -3.620 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.346 -5.568 8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.392 -4.423 9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.994 -4.587 8.735 1.00 0.00 H new ATOM 436 N PHE A 27 9.842 1.982 5.606 1.00 0.00 N ATOM 437 CA PHE A 27 10.741 2.193 4.436 1.00 0.00 C ATOM 438 C PHE A 27 10.920 3.691 4.169 1.00 0.00 C ATOM 439 O PHE A 27 10.926 4.133 3.039 1.00 0.00 O ATOM 440 CB PHE A 27 10.028 1.520 3.263 1.00 0.00 C ATOM 441 CG PHE A 27 10.032 0.024 3.465 1.00 0.00 C ATOM 442 CD1 PHE A 27 11.238 -0.647 3.703 1.00 0.00 C ATOM 443 CD2 PHE A 27 8.831 -0.694 3.414 1.00 0.00 C ATOM 444 CE1 PHE A 27 11.242 -2.035 3.890 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.835 -2.081 3.600 1.00 0.00 C ATOM 446 CZ PHE A 27 10.041 -2.751 3.838 1.00 0.00 C ATOM 0 H PHE A 27 8.883 2.305 5.480 1.00 0.00 H new ATOM 0 HA PHE A 27 11.736 1.779 4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.004 1.885 3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.526 1.773 2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.165 -0.094 3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.901 -0.177 3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 27 12.172 -2.553 4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.908 -2.634 3.560 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.044 -3.821 3.982 1.00 0.00 H new ATOM 456 N LYS A 28 11.060 4.476 5.205 1.00 0.00 N ATOM 457 CA LYS A 28 11.234 5.945 5.006 1.00 0.00 C ATOM 458 C LYS A 28 12.447 6.221 4.114 1.00 0.00 C ATOM 459 O LYS A 28 12.567 7.275 3.523 1.00 0.00 O ATOM 460 CB LYS A 28 11.446 6.522 6.411 1.00 0.00 C ATOM 461 CG LYS A 28 12.865 6.220 6.899 1.00 0.00 C ATOM 462 CD LYS A 28 12.974 4.740 7.266 1.00 0.00 C ATOM 463 CE LYS A 28 14.059 4.554 8.330 1.00 0.00 C ATOM 464 NZ LYS A 28 15.070 3.663 7.697 1.00 0.00 N ATOM 0 H LYS A 28 11.061 4.165 6.176 1.00 0.00 H new ATOM 0 HA LYS A 28 10.374 6.397 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.280 7.599 6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.718 6.095 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.588 6.467 6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.103 6.839 7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.017 4.376 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.214 4.152 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.499 5.509 8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.651 4.107 9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.746 3.339 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.593 2.841 7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.578 4.186 6.956 1.00 0.00 H new ATOM 478 N ASN A 29 13.345 5.280 4.011 1.00 0.00 N ATOM 479 CA ASN A 29 14.549 5.485 3.157 1.00 0.00 C ATOM 480 C ASN A 29 14.455 4.617 1.900 1.00 0.00 C ATOM 481 O ASN A 29 15.439 4.086 1.423 1.00 0.00 O ATOM 482 CB ASN A 29 15.728 5.045 4.025 1.00 0.00 C ATOM 483 CG ASN A 29 16.125 6.182 4.969 1.00 0.00 C ATOM 484 OD1 ASN A 29 15.698 6.219 6.106 1.00 0.00 O ATOM 485 ND2 ASN A 29 16.929 7.116 4.543 1.00 0.00 N ATOM 0 H ASN A 29 13.297 4.377 4.482 1.00 0.00 H new ATOM 0 HA ASN A 29 14.651 6.518 2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.458 4.159 4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.574 4.770 3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.200 7.878 5.164 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.287 7.084 3.588 1.00 0.00 H new ATOM 492 N GLY A 30 13.277 4.464 1.361 1.00 0.00 N ATOM 493 CA GLY A 30 13.118 3.626 0.140 1.00 0.00 C ATOM 494 C GLY A 30 12.869 2.173 0.550 1.00 0.00 C ATOM 495 O GLY A 30 13.097 1.792 1.681 1.00 0.00 O ATOM 0 H GLY A 30 12.417 4.884 1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.286 3.994 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.013 3.693 -0.479 1.00 0.00 H new ATOM 499 N MET A 31 12.402 1.360 -0.357 1.00 0.00 N ATOM 500 CA MET A 31 12.138 -0.068 -0.010 1.00 0.00 C ATOM 501 C MET A 31 13.285 -0.956 -0.501 1.00 0.00 C ATOM 502 O MET A 31 14.033 -0.589 -1.385 1.00 0.00 O ATOM 503 CB MET A 31 10.839 -0.418 -0.738 1.00 0.00 C ATOM 504 CG MET A 31 9.700 0.447 -0.197 1.00 0.00 C ATOM 505 SD MET A 31 8.348 -0.615 0.361 1.00 0.00 S ATOM 506 CE MET A 31 8.259 -1.660 -1.113 1.00 0.00 C ATOM 0 H MET A 31 12.192 1.620 -1.321 1.00 0.00 H new ATOM 0 HA MET A 31 12.058 -0.223 1.066 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.955 -0.256 -1.810 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.605 -1.474 -0.599 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.057 1.063 0.629 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.346 1.127 -0.972 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.257 -2.081 -1.201 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.480 -1.062 -1.997 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.986 -2.468 -1.031 1.00 0.00 H new ATOM 516 N LEU A 32 13.429 -2.125 0.065 1.00 0.00 N ATOM 517 CA LEU A 32 14.527 -3.035 -0.372 1.00 0.00 C ATOM 518 C LEU A 32 14.203 -3.632 -1.745 1.00 0.00 C ATOM 519 O LEU A 32 13.082 -3.569 -2.210 1.00 0.00 O ATOM 520 CB LEU A 32 14.579 -4.130 0.693 1.00 0.00 C ATOM 521 CG LEU A 32 14.886 -3.504 2.055 1.00 0.00 C ATOM 522 CD1 LEU A 32 14.568 -4.508 3.164 1.00 0.00 C ATOM 523 CD2 LEU A 32 16.368 -3.129 2.122 1.00 0.00 C ATOM 0 H LEU A 32 12.834 -2.488 0.810 1.00 0.00 H new ATOM 0 HA LEU A 32 15.481 -2.517 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.628 -4.660 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.343 -4.864 0.438 1.00 0.00 H new ATOM 0 HG LEU A 32 14.276 -2.610 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.787 -4.061 4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.513 -4.778 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.177 -5.402 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.587 -2.683 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.976 -4.024 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 32 16.598 -2.413 1.333 1.00 0.00 H new ATOM 535 N HIS A 33 15.173 -4.210 -2.398 1.00 0.00 N ATOM 536 CA HIS A 33 14.914 -4.806 -3.741 1.00 0.00 C ATOM 537 C HIS A 33 14.150 -6.124 -3.602 1.00 0.00 C ATOM 538 O HIS A 33 14.356 -6.879 -2.671 1.00 0.00 O ATOM 539 CB HIS A 33 16.296 -5.054 -4.343 1.00 0.00 C ATOM 540 CG HIS A 33 16.148 -5.841 -5.616 1.00 0.00 C ATOM 541 ND1 HIS A 33 15.547 -5.312 -6.747 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.514 -7.122 -5.951 1.00 0.00 C ATOM 543 CE1 HIS A 33 15.567 -6.262 -7.699 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.146 -7.386 -7.266 1.00 0.00 N ATOM 0 H HIS A 33 16.132 -4.296 -2.062 1.00 0.00 H new ATOM 0 HA HIS A 33 14.307 -4.151 -4.367 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.794 -4.105 -4.544 1.00 0.00 H new ATOM 0 HB3 HIS A 33 16.921 -5.599 -3.636 1.00 0.00 H new ATOM 0 HD2 HIS A 33 17.012 -7.819 -5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.164 -6.132 -8.693 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.288 -8.251 -7.788 1.00 0.00 H new ATOM 552 N GLY A 34 13.271 -6.408 -4.523 1.00 0.00 N ATOM 553 CA GLY A 34 12.495 -7.677 -4.452 1.00 0.00 C ATOM 554 C GLY A 34 11.582 -7.655 -3.224 1.00 0.00 C ATOM 555 O GLY A 34 10.981 -8.650 -2.871 1.00 0.00 O ATOM 0 H GLY A 34 13.056 -5.814 -5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.900 -7.802 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.174 -8.528 -4.397 1.00 0.00 H new ATOM 559 N ASP A 35 11.473 -6.531 -2.571 1.00 0.00 N ATOM 560 CA ASP A 35 10.595 -6.455 -1.368 1.00 0.00 C ATOM 561 C ASP A 35 9.147 -6.762 -1.755 1.00 0.00 C ATOM 562 O ASP A 35 8.581 -6.131 -2.624 1.00 0.00 O ATOM 563 CB ASP A 35 10.723 -5.014 -0.871 1.00 0.00 C ATOM 564 CG ASP A 35 10.410 -4.961 0.624 1.00 0.00 C ATOM 565 OD1 ASP A 35 11.156 -5.552 1.387 1.00 0.00 O ATOM 566 OD2 ASP A 35 9.430 -4.329 0.983 1.00 0.00 O ATOM 0 H ASP A 35 11.952 -5.664 -2.817 1.00 0.00 H new ATOM 0 HA ASP A 35 10.881 -7.175 -0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.731 -4.642 -1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.039 -4.367 -1.420 1.00 0.00 H new ATOM 571 N LYS A 36 8.543 -7.726 -1.118 1.00 0.00 N ATOM 572 CA LYS A 36 7.133 -8.068 -1.456 1.00 0.00 C ATOM 573 C LYS A 36 6.179 -7.443 -0.437 1.00 0.00 C ATOM 574 O LYS A 36 6.256 -7.706 0.746 1.00 0.00 O ATOM 575 CB LYS A 36 7.061 -9.592 -1.387 1.00 0.00 C ATOM 576 CG LYS A 36 7.657 -10.192 -2.662 1.00 0.00 C ATOM 577 CD LYS A 36 6.796 -11.370 -3.122 1.00 0.00 C ATOM 578 CE LYS A 36 7.697 -12.482 -3.665 1.00 0.00 C ATOM 579 NZ LYS A 36 6.782 -13.629 -3.936 1.00 0.00 N ATOM 0 H LYS A 36 8.963 -8.291 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 36 6.845 -7.692 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.605 -9.953 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.026 -9.912 -1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.705 -9.435 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.678 -10.525 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.200 -11.745 -2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.098 -11.044 -3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.210 -12.165 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.466 -12.754 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.330 -14.429 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.312 -13.915 -3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.065 -13.344 -4.633 1.00 0.00 H new ATOM 593 N VAL A 37 5.276 -6.621 -0.892 1.00 0.00 N ATOM 594 CA VAL A 37 4.309 -5.977 0.043 1.00 0.00 C ATOM 595 C VAL A 37 2.919 -5.934 -0.595 1.00 0.00 C ATOM 596 O VAL A 37 2.776 -5.699 -1.778 1.00 0.00 O ATOM 597 CB VAL A 37 4.849 -4.562 0.262 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.149 -4.631 1.064 1.00 0.00 C ATOM 599 CG2 VAL A 37 5.122 -3.903 -1.093 1.00 0.00 C ATOM 0 H VAL A 37 5.165 -6.366 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 37 4.212 -6.521 0.983 1.00 0.00 H new ATOM 0 HB VAL A 37 4.113 -3.974 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.534 -3.623 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.957 -5.100 2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.884 -5.219 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.507 -2.895 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.858 -4.491 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.196 -3.853 -1.666 1.00 0.00 H new ATOM 609 N SER A 38 1.893 -6.165 0.177 1.00 0.00 N ATOM 610 CA SER A 38 0.516 -6.142 -0.395 1.00 0.00 C ATOM 611 C SER A 38 -0.166 -4.805 -0.088 1.00 0.00 C ATOM 612 O SER A 38 -0.039 -4.266 0.993 1.00 0.00 O ATOM 613 CB SER A 38 -0.220 -7.287 0.297 1.00 0.00 C ATOM 614 OG SER A 38 0.724 -8.252 0.739 1.00 0.00 O ATOM 0 H SER A 38 1.947 -6.368 1.175 1.00 0.00 H new ATOM 0 HA SER A 38 0.520 -6.254 -1.479 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.793 -6.908 1.143 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.931 -7.745 -0.390 1.00 0.00 H new ATOM 0 HG SER A 38 0.963 -8.841 -0.007 1.00 0.00 H new ATOM 620 N PHE A 39 -0.892 -4.270 -1.031 1.00 0.00 N ATOM 621 CA PHE A 39 -1.587 -2.972 -0.793 1.00 0.00 C ATOM 622 C PHE A 39 -3.060 -3.223 -0.463 1.00 0.00 C ATOM 623 O PHE A 39 -3.680 -4.120 -0.996 1.00 0.00 O ATOM 624 CB PHE A 39 -1.457 -2.205 -2.109 1.00 0.00 C ATOM 625 CG PHE A 39 -0.066 -1.630 -2.221 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.983 -2.424 -2.698 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.175 -0.301 -1.850 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.274 -1.892 -2.803 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.466 0.232 -1.954 1.00 0.00 C ATOM 630 CZ PHE A 39 2.515 -0.563 -2.431 1.00 0.00 C ATOM 0 H PHE A 39 -1.034 -4.675 -1.956 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.159 -2.419 0.043 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.657 -2.869 -2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.197 -1.406 -2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.797 -3.448 -2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.635 0.313 -1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.083 -2.506 -3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.652 1.256 -1.666 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.510 -0.152 -2.512 1.00 0.00 H new ATOM 640 N PHE A 40 -3.627 -2.444 0.418 1.00 0.00 N ATOM 641 CA PHE A 40 -5.058 -2.657 0.777 1.00 0.00 C ATOM 642 C PHE A 40 -5.975 -2.028 -0.275 1.00 0.00 C ATOM 643 O PHE A 40 -5.757 -0.921 -0.726 1.00 0.00 O ATOM 644 CB PHE A 40 -5.242 -1.958 2.125 1.00 0.00 C ATOM 645 CG PHE A 40 -4.942 -2.931 3.240 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.683 -4.113 3.355 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.923 -2.651 4.160 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.405 -5.016 4.388 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.645 -3.554 5.193 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.387 -4.736 5.307 1.00 0.00 C ATOM 0 H PHE A 40 -3.165 -1.674 0.902 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.310 -3.716 0.826 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.580 -1.095 2.193 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.262 -1.585 2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.469 -4.328 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.352 -1.739 4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.976 -5.929 4.476 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.859 -3.339 5.902 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.174 -5.432 6.105 1.00 0.00 H new ATOM 660 N CYS A 41 -7.007 -2.727 -0.659 1.00 0.00 N ATOM 661 CA CYS A 41 -7.951 -2.176 -1.673 1.00 0.00 C ATOM 662 C CYS A 41 -9.390 -2.532 -1.283 1.00 0.00 C ATOM 663 O CYS A 41 -9.622 -3.367 -0.432 1.00 0.00 O ATOM 664 CB CYS A 41 -7.570 -2.858 -2.988 1.00 0.00 C ATOM 665 SG CYS A 41 -6.734 -1.672 -4.069 1.00 0.00 S ATOM 0 H CYS A 41 -7.238 -3.658 -0.314 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.892 -1.090 -1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.918 -3.709 -2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.462 -3.247 -3.479 1.00 0.00 H new ATOM 670 N LYS A 42 -10.357 -1.908 -1.897 1.00 0.00 N ATOM 671 CA LYS A 42 -11.776 -2.219 -1.555 1.00 0.00 C ATOM 672 C LYS A 42 -12.420 -3.041 -2.673 1.00 0.00 C ATOM 673 O LYS A 42 -12.110 -2.879 -3.836 1.00 0.00 O ATOM 674 CB LYS A 42 -12.465 -0.862 -1.422 1.00 0.00 C ATOM 675 CG LYS A 42 -12.134 0.005 -2.640 1.00 0.00 C ATOM 676 CD LYS A 42 -10.967 0.936 -2.305 1.00 0.00 C ATOM 677 CE LYS A 42 -11.489 2.159 -1.550 1.00 0.00 C ATOM 678 NZ LYS A 42 -11.032 3.329 -2.350 1.00 0.00 N ATOM 0 H LYS A 42 -10.228 -1.198 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.859 -2.805 -0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.544 -0.997 -1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.137 -0.365 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.876 -0.627 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.007 0.589 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.230 0.409 -1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.463 1.248 -3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.576 2.138 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.093 2.195 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.352 4.207 -1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.994 3.327 -2.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.431 3.271 -3.309 1.00 0.00 H new ATOM 692 N ASN A 43 -13.314 -3.922 -2.325 1.00 0.00 N ATOM 693 CA ASN A 43 -13.983 -4.758 -3.362 1.00 0.00 C ATOM 694 C ASN A 43 -15.474 -4.428 -3.422 1.00 0.00 C ATOM 695 O ASN A 43 -16.184 -4.530 -2.441 1.00 0.00 O ATOM 696 CB ASN A 43 -13.772 -6.201 -2.905 1.00 0.00 C ATOM 697 CG ASN A 43 -14.196 -7.157 -4.021 1.00 0.00 C ATOM 698 OD1 ASN A 43 -15.365 -7.445 -4.178 1.00 0.00 O ATOM 699 ND2 ASN A 43 -13.286 -7.661 -4.810 1.00 0.00 N ATOM 0 H ASN A 43 -13.612 -4.101 -1.366 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.578 -4.583 -4.359 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.725 -6.364 -2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.353 -6.397 -2.004 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.557 -8.298 -5.560 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.304 -7.418 -4.677 1.00 0.00 H new ATOM 706 N LYS A 44 -15.956 -4.031 -4.566 1.00 0.00 N ATOM 707 CA LYS A 44 -17.401 -3.695 -4.690 1.00 0.00 C ATOM 708 C LYS A 44 -18.227 -4.971 -4.866 1.00 0.00 C ATOM 709 O LYS A 44 -19.304 -5.106 -4.319 1.00 0.00 O ATOM 710 CB LYS A 44 -17.495 -2.819 -5.939 1.00 0.00 C ATOM 711 CG LYS A 44 -18.278 -1.546 -5.612 1.00 0.00 C ATOM 712 CD LYS A 44 -19.618 -1.570 -6.349 1.00 0.00 C ATOM 713 CE LYS A 44 -20.042 -0.139 -6.684 1.00 0.00 C ATOM 714 NZ LYS A 44 -20.910 0.280 -5.547 1.00 0.00 N ATOM 0 H LYS A 44 -15.411 -3.925 -5.422 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.786 -3.188 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.496 -2.563 -6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.988 -3.365 -6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.443 -1.473 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.704 -0.667 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -19.532 -2.158 -7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -20.377 -2.050 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -19.177 0.516 -6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -20.583 -0.098 -7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -21.241 1.253 -5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -21.729 -0.358 -5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -20.366 0.238 -4.661 1.00 0.00 H new ATOM 728 N GLU A 45 -17.730 -5.909 -5.624 1.00 0.00 N ATOM 729 CA GLU A 45 -18.487 -7.176 -5.833 1.00 0.00 C ATOM 730 C GLU A 45 -18.732 -7.870 -4.492 1.00 0.00 C ATOM 731 O GLU A 45 -19.841 -8.253 -4.174 1.00 0.00 O ATOM 732 CB GLU A 45 -17.587 -8.032 -6.724 1.00 0.00 C ATOM 733 CG GLU A 45 -17.288 -7.280 -8.022 1.00 0.00 C ATOM 734 CD GLU A 45 -17.995 -7.973 -9.187 1.00 0.00 C ATOM 735 OE1 GLU A 45 -19.120 -8.406 -8.999 1.00 0.00 O ATOM 736 OE2 GLU A 45 -17.399 -8.061 -10.248 1.00 0.00 O ATOM 0 H GLU A 45 -16.834 -5.853 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.464 -7.005 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.658 -8.264 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.074 -8.982 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.624 -6.246 -7.942 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.213 -7.253 -8.200 1.00 0.00 H new ATOM 743 N LYS A 46 -17.706 -8.037 -3.704 1.00 0.00 N ATOM 744 CA LYS A 46 -17.882 -8.708 -2.386 1.00 0.00 C ATOM 745 C LYS A 46 -18.125 -7.666 -1.290 1.00 0.00 C ATOM 746 O LYS A 46 -18.523 -7.991 -0.190 1.00 0.00 O ATOM 747 CB LYS A 46 -16.575 -9.459 -2.145 1.00 0.00 C ATOM 748 CG LYS A 46 -16.483 -10.638 -3.116 1.00 0.00 C ATOM 749 CD LYS A 46 -15.231 -11.459 -2.806 1.00 0.00 C ATOM 750 CE LYS A 46 -14.008 -10.540 -2.790 1.00 0.00 C ATOM 751 NZ LYS A 46 -12.922 -11.337 -3.425 1.00 0.00 N ATOM 0 H LYS A 46 -16.754 -7.738 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.740 -9.380 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.726 -8.790 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.532 -9.816 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -17.371 -11.264 -3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.447 -10.275 -4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.339 -11.955 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.102 -12.241 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.198 -9.620 -3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.744 -10.252 -1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.048 -10.774 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.759 -12.203 -2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.199 -11.591 -4.395 1.00 0.00 H new ATOM 765 N LYS A 47 -17.896 -6.415 -1.589 1.00 0.00 N ATOM 766 CA LYS A 47 -18.127 -5.342 -0.574 1.00 0.00 C ATOM 767 C LYS A 47 -17.128 -5.453 0.582 1.00 0.00 C ATOM 768 O LYS A 47 -17.454 -5.183 1.720 1.00 0.00 O ATOM 769 CB LYS A 47 -19.547 -5.572 -0.062 1.00 0.00 C ATOM 770 CG LYS A 47 -20.470 -5.929 -1.232 1.00 0.00 C ATOM 771 CD LYS A 47 -21.884 -5.428 -0.937 1.00 0.00 C ATOM 772 CE LYS A 47 -22.286 -4.383 -1.981 1.00 0.00 C ATOM 773 NZ LYS A 47 -22.481 -3.125 -1.208 1.00 0.00 N ATOM 0 H LYS A 47 -17.558 -6.088 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.997 -4.350 -1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.552 -6.375 0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.912 -4.676 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -20.098 -5.479 -2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.480 -7.008 -1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -22.587 -6.261 -0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.926 -4.994 0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.512 -4.265 -2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -23.200 -4.674 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -22.759 -2.360 -1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -23.228 -3.266 -0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.593 -2.870 -0.731 1.00 0.00 H new ATOM 787 N CYS A 48 -15.916 -5.837 0.303 1.00 0.00 N ATOM 788 CA CYS A 48 -14.906 -5.950 1.397 1.00 0.00 C ATOM 789 C CYS A 48 -13.542 -5.485 0.898 1.00 0.00 C ATOM 790 O CYS A 48 -13.348 -5.229 -0.274 1.00 0.00 O ATOM 791 CB CYS A 48 -14.811 -7.433 1.775 1.00 0.00 C ATOM 792 SG CYS A 48 -16.379 -8.297 1.492 1.00 0.00 S ATOM 0 H CYS A 48 -15.579 -6.077 -0.629 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.199 -5.336 2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.023 -7.908 1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.529 -7.524 2.824 1.00 0.00 H new ATOM 797 N SER A 49 -12.588 -5.395 1.779 1.00 0.00 N ATOM 798 CA SER A 49 -11.228 -4.973 1.357 1.00 0.00 C ATOM 799 C SER A 49 -10.342 -6.204 1.174 1.00 0.00 C ATOM 800 O SER A 49 -10.685 -7.299 1.584 1.00 0.00 O ATOM 801 CB SER A 49 -10.707 -4.109 2.501 1.00 0.00 C ATOM 802 OG SER A 49 -9.882 -4.899 3.348 1.00 0.00 O ATOM 0 H SER A 49 -12.692 -5.596 2.774 1.00 0.00 H new ATOM 0 HA SER A 49 -11.234 -4.431 0.411 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.141 -3.265 2.106 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.541 -3.696 3.069 1.00 0.00 H new ATOM 0 HG SER A 49 -9.878 -4.516 4.250 1.00 0.00 H new ATOM 808 N TYR A 50 -9.205 -6.027 0.571 1.00 0.00 N ATOM 809 CA TYR A 50 -8.276 -7.172 0.363 1.00 0.00 C ATOM 810 C TYR A 50 -6.863 -6.645 0.112 1.00 0.00 C ATOM 811 O TYR A 50 -6.643 -5.452 0.048 1.00 0.00 O ATOM 812 CB TYR A 50 -8.814 -7.926 -0.857 1.00 0.00 C ATOM 813 CG TYR A 50 -8.879 -7.008 -2.054 1.00 0.00 C ATOM 814 CD1 TYR A 50 -7.711 -6.672 -2.746 1.00 0.00 C ATOM 815 CD2 TYR A 50 -10.115 -6.503 -2.480 1.00 0.00 C ATOM 816 CE1 TYR A 50 -7.775 -5.831 -3.863 1.00 0.00 C ATOM 817 CE2 TYR A 50 -10.179 -5.664 -3.599 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.010 -5.328 -4.291 1.00 0.00 C ATOM 819 OH TYR A 50 -9.073 -4.501 -5.394 1.00 0.00 O ATOM 0 H TYR A 50 -8.874 -5.132 0.210 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.222 -7.829 1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.172 -8.778 -1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.806 -8.322 -0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.759 -7.062 -2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.017 -6.761 -1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.872 -5.570 -4.395 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.131 -5.276 -3.928 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.197 -4.088 -5.543 1.00 0.00 H new ATOM 829 N THR A 51 -5.899 -7.513 -0.012 1.00 0.00 N ATOM 830 CA THR A 51 -4.506 -7.033 -0.237 1.00 0.00 C ATOM 831 C THR A 51 -4.011 -7.415 -1.633 1.00 0.00 C ATOM 832 O THR A 51 -4.334 -8.460 -2.159 1.00 0.00 O ATOM 833 CB THR A 51 -3.668 -7.734 0.831 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.844 -9.139 0.721 1.00 0.00 O ATOM 835 CG2 THR A 51 -4.112 -7.267 2.217 1.00 0.00 C ATOM 0 H THR A 51 -6.012 -8.526 0.032 1.00 0.00 H new ATOM 0 HA THR A 51 -4.440 -5.947 -0.171 1.00 0.00 H new ATOM 0 HB THR A 51 -2.616 -7.488 0.689 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.306 -9.591 1.404 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.514 -7.767 2.978 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.975 -6.189 2.299 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.164 -7.511 2.364 1.00 0.00 H new ATOM 843 N GLU A 52 -3.211 -6.570 -2.223 1.00 0.00 N ATOM 844 CA GLU A 52 -2.666 -6.869 -3.578 1.00 0.00 C ATOM 845 C GLU A 52 -1.140 -6.968 -3.499 1.00 0.00 C ATOM 846 O GLU A 52 -0.433 -6.001 -3.705 1.00 0.00 O ATOM 847 CB GLU A 52 -3.090 -5.686 -4.451 1.00 0.00 C ATOM 848 CG GLU A 52 -3.662 -6.206 -5.771 1.00 0.00 C ATOM 849 CD GLU A 52 -2.632 -6.016 -6.885 1.00 0.00 C ATOM 850 OE1 GLU A 52 -1.618 -6.692 -6.848 1.00 0.00 O ATOM 851 OE2 GLU A 52 -2.874 -5.198 -7.757 1.00 0.00 O ATOM 0 H GLU A 52 -2.910 -5.681 -1.823 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.033 -7.812 -3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.836 -5.085 -3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.235 -5.037 -4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.921 -7.261 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.581 -5.673 -6.016 1.00 0.00 H new ATOM 858 N ASP A 53 -0.634 -8.127 -3.181 1.00 0.00 N ATOM 859 CA ASP A 53 0.844 -8.298 -3.064 1.00 0.00 C ATOM 860 C ASP A 53 1.581 -7.522 -4.157 1.00 0.00 C ATOM 861 O ASP A 53 1.118 -7.401 -5.275 1.00 0.00 O ATOM 862 CB ASP A 53 1.086 -9.795 -3.228 1.00 0.00 C ATOM 863 CG ASP A 53 0.359 -10.555 -2.117 1.00 0.00 C ATOM 864 OD1 ASP A 53 0.461 -10.136 -0.976 1.00 0.00 O ATOM 865 OD2 ASP A 53 -0.287 -11.542 -2.426 1.00 0.00 O ATOM 0 H ASP A 53 -1.182 -8.967 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 53 1.214 -7.918 -2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.730 -10.127 -4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.154 -10.008 -3.190 1.00 0.00 H new ATOM 870 N ALA A 54 2.733 -7.003 -3.836 1.00 0.00 N ATOM 871 CA ALA A 54 3.527 -6.238 -4.841 1.00 0.00 C ATOM 872 C ALA A 54 5.000 -6.661 -4.771 1.00 0.00 C ATOM 873 O ALA A 54 5.392 -7.430 -3.916 1.00 0.00 O ATOM 874 CB ALA A 54 3.369 -4.772 -4.439 1.00 0.00 C ATOM 0 H ALA A 54 3.163 -7.076 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 54 3.190 -6.415 -5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.926 -4.142 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.314 -4.498 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.754 -4.628 -3.429 1.00 0.00 H new ATOM 880 N GLN A 55 5.818 -6.172 -5.663 1.00 0.00 N ATOM 881 CA GLN A 55 7.262 -6.557 -5.638 1.00 0.00 C ATOM 882 C GLN A 55 8.145 -5.348 -5.958 1.00 0.00 C ATOM 883 O GLN A 55 7.828 -4.546 -6.815 1.00 0.00 O ATOM 884 CB GLN A 55 7.402 -7.626 -6.724 1.00 0.00 C ATOM 885 CG GLN A 55 8.639 -8.484 -6.444 1.00 0.00 C ATOM 886 CD GLN A 55 8.935 -9.365 -7.660 1.00 0.00 C ATOM 887 OE1 GLN A 55 9.733 -9.009 -8.504 1.00 0.00 O ATOM 888 NE2 GLN A 55 8.321 -10.510 -7.786 1.00 0.00 N ATOM 0 H GLN A 55 5.552 -5.525 -6.406 1.00 0.00 H new ATOM 0 HA GLN A 55 7.574 -6.922 -4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.510 -8.253 -6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.488 -7.155 -7.703 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.496 -7.846 -6.227 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.472 -9.105 -5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.651 -10.810 -7.078 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.511 -11.105 -8.592 1.00 0.00 H new ATOM 897 N CYS A 56 9.255 -5.212 -5.283 1.00 0.00 N ATOM 898 CA CYS A 56 10.157 -4.058 -5.557 1.00 0.00 C ATOM 899 C CYS A 56 11.313 -4.501 -6.458 1.00 0.00 C ATOM 900 O CYS A 56 11.718 -5.646 -6.449 1.00 0.00 O ATOM 901 CB CYS A 56 10.672 -3.626 -4.185 1.00 0.00 C ATOM 902 SG CYS A 56 10.394 -1.850 -3.962 1.00 0.00 S ATOM 0 H CYS A 56 9.575 -5.850 -4.554 1.00 0.00 H new ATOM 0 HA CYS A 56 9.649 -3.243 -6.072 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.161 -4.185 -3.401 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.735 -3.852 -4.097 1.00 0.00 H new ATOM 907 N ILE A 57 11.841 -3.601 -7.238 1.00 0.00 N ATOM 908 CA ILE A 57 12.967 -3.961 -8.147 1.00 0.00 C ATOM 909 C ILE A 57 14.015 -2.841 -8.151 1.00 0.00 C ATOM 910 O ILE A 57 13.819 -1.799 -7.559 1.00 0.00 O ATOM 911 CB ILE A 57 12.321 -4.110 -9.528 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.495 -5.398 -9.566 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.405 -4.173 -10.605 1.00 0.00 C ATOM 914 CD1 ILE A 57 10.014 -5.053 -9.726 1.00 0.00 C ATOM 0 H ILE A 57 11.541 -2.627 -7.286 1.00 0.00 H new ATOM 0 HA ILE A 57 13.481 -4.872 -7.840 1.00 0.00 H new ATOM 0 HB ILE A 57 11.676 -3.252 -9.716 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.823 -6.028 -10.393 1.00 0.00 H new ATOM 0 HG13 ILE A 57 11.649 -5.968 -8.650 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.939 -4.279 -11.585 1.00 0.00 H new ATOM 0 HG22 ILE A 57 13.995 -3.257 -10.581 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.055 -5.028 -10.418 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.427 -5.971 -9.753 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.690 -4.440 -8.885 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.867 -4.501 -10.655 1.00 0.00 H new ATOM 926 N ASP A 58 15.127 -3.058 -8.803 1.00 0.00 N ATOM 927 CA ASP A 58 16.202 -2.019 -8.845 1.00 0.00 C ATOM 928 C ASP A 58 15.611 -0.604 -8.906 1.00 0.00 C ATOM 929 O ASP A 58 15.319 -0.085 -9.965 1.00 0.00 O ATOM 930 CB ASP A 58 16.987 -2.323 -10.121 1.00 0.00 C ATOM 931 CG ASP A 58 18.445 -1.903 -9.935 1.00 0.00 C ATOM 932 OD1 ASP A 58 18.682 -0.723 -9.735 1.00 0.00 O ATOM 933 OD2 ASP A 58 19.302 -2.770 -9.993 1.00 0.00 O ATOM 0 H ASP A 58 15.339 -3.916 -9.312 1.00 0.00 H new ATOM 0 HA ASP A 58 16.825 -2.049 -7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.930 -3.387 -10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.549 -1.791 -10.966 1.00 0.00 H new ATOM 938 N GLY A 59 15.451 0.025 -7.773 1.00 0.00 N ATOM 939 CA GLY A 59 14.900 1.412 -7.749 1.00 0.00 C ATOM 940 C GLY A 59 13.641 1.507 -8.616 1.00 0.00 C ATOM 941 O GLY A 59 13.256 2.577 -9.042 1.00 0.00 O ATOM 0 H GLY A 59 15.679 -0.364 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.665 1.698 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.651 2.114 -8.111 1.00 0.00 H new ATOM 945 N THR A 60 12.990 0.408 -8.877 1.00 0.00 N ATOM 946 CA THR A 60 11.754 0.464 -9.712 1.00 0.00 C ATOM 947 C THR A 60 10.666 -0.424 -9.115 1.00 0.00 C ATOM 948 O THR A 60 10.901 -1.561 -8.771 1.00 0.00 O ATOM 949 CB THR A 60 12.166 -0.061 -11.084 1.00 0.00 C ATOM 950 OG1 THR A 60 13.388 0.545 -11.479 1.00 0.00 O ATOM 951 CG2 THR A 60 11.073 0.271 -12.103 1.00 0.00 C ATOM 0 H THR A 60 13.256 -0.521 -8.552 1.00 0.00 H new ATOM 0 HA THR A 60 11.350 1.475 -9.766 1.00 0.00 H new ATOM 0 HB THR A 60 12.301 -1.141 -11.035 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.139 0.049 -11.091 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.365 -0.103 -13.084 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.137 -0.199 -11.799 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.937 1.351 -12.152 1.00 0.00 H new ATOM 959 N ILE A 61 9.473 0.082 -8.998 1.00 0.00 N ATOM 960 CA ILE A 61 8.369 -0.742 -8.430 1.00 0.00 C ATOM 961 C ILE A 61 7.073 -0.490 -9.201 1.00 0.00 C ATOM 962 O ILE A 61 6.775 0.621 -9.593 1.00 0.00 O ATOM 963 CB ILE A 61 8.233 -0.289 -6.978 1.00 0.00 C ATOM 964 CG1 ILE A 61 6.896 -0.779 -6.416 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.291 1.239 -6.902 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.126 -1.419 -5.046 1.00 0.00 C ATOM 0 H ILE A 61 9.213 1.030 -9.270 1.00 0.00 H new ATOM 0 HA ILE A 61 8.575 -1.810 -8.499 1.00 0.00 H new ATOM 0 HB ILE A 61 9.052 -0.707 -6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.198 0.054 -6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.446 -1.502 -7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.193 1.556 -5.864 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.244 1.587 -7.299 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.477 1.664 -7.489 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.175 -1.769 -4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.809 -2.262 -5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.558 -0.683 -4.368 1.00 0.00 H new ATOM 978 N GLU A 62 6.303 -1.517 -9.424 1.00 0.00 N ATOM 979 CA GLU A 62 5.024 -1.345 -10.171 1.00 0.00 C ATOM 980 C GLU A 62 3.846 -1.288 -9.195 1.00 0.00 C ATOM 981 O GLU A 62 3.072 -2.219 -9.088 1.00 0.00 O ATOM 982 CB GLU A 62 4.920 -2.581 -11.065 1.00 0.00 C ATOM 983 CG GLU A 62 4.646 -2.148 -12.506 1.00 0.00 C ATOM 984 CD GLU A 62 3.748 -3.181 -13.188 1.00 0.00 C ATOM 985 OE1 GLU A 62 2.918 -3.758 -12.505 1.00 0.00 O ATOM 986 OE2 GLU A 62 3.904 -3.378 -14.382 1.00 0.00 O ATOM 0 H GLU A 62 6.503 -2.470 -9.121 1.00 0.00 H new ATOM 0 HA GLU A 62 5.003 -0.421 -10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.844 -3.156 -11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.120 -3.232 -10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.166 -1.169 -12.518 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.584 -2.049 -13.052 1.00 0.00 H new ATOM 993 N VAL A 63 3.705 -0.206 -8.481 1.00 0.00 N ATOM 994 CA VAL A 63 2.577 -0.097 -7.512 1.00 0.00 C ATOM 995 C VAL A 63 1.281 -0.619 -8.150 1.00 0.00 C ATOM 996 O VAL A 63 1.020 -0.358 -9.308 1.00 0.00 O ATOM 997 CB VAL A 63 2.460 1.395 -7.208 1.00 0.00 C ATOM 998 CG1 VAL A 63 1.197 1.650 -6.384 1.00 0.00 C ATOM 999 CG2 VAL A 63 3.687 1.851 -6.416 1.00 0.00 C ATOM 0 H VAL A 63 4.320 0.606 -8.526 1.00 0.00 H new ATOM 0 HA VAL A 63 2.748 -0.684 -6.610 1.00 0.00 H new ATOM 0 HB VAL A 63 2.402 1.953 -8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.113 2.715 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.323 1.325 -6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.254 1.092 -5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.605 2.916 -6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.745 1.293 -5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.587 1.669 -7.003 1.00 0.00 H new ATOM 1009 N PRO A 64 0.503 -1.341 -7.376 1.00 0.00 N ATOM 1010 CA PRO A 64 -0.774 -1.895 -7.887 1.00 0.00 C ATOM 1011 C PRO A 64 -1.726 -0.763 -8.284 1.00 0.00 C ATOM 1012 O PRO A 64 -2.122 0.043 -7.465 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.313 -2.668 -6.680 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.316 -2.525 -5.514 1.00 0.00 C ATOM 1015 CD PRO A 64 0.852 -1.641 -5.969 1.00 0.00 C ATOM 0 HA PRO A 64 -0.660 -2.514 -8.777 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.290 -2.282 -6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.448 -3.719 -6.935 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.809 -2.083 -4.648 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.049 -3.505 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.931 -0.734 -5.369 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.807 -2.160 -5.890 1.00 0.00 H new ATOM 1023 N LYS A 65 -2.096 -0.695 -9.533 1.00 0.00 N ATOM 1024 CA LYS A 65 -3.022 0.385 -9.976 1.00 0.00 C ATOM 1025 C LYS A 65 -4.234 0.461 -9.043 1.00 0.00 C ATOM 1026 O LYS A 65 -4.764 1.523 -8.784 1.00 0.00 O ATOM 1027 CB LYS A 65 -3.451 -0.012 -11.388 1.00 0.00 C ATOM 1028 CG LYS A 65 -2.407 0.476 -12.394 1.00 0.00 C ATOM 1029 CD LYS A 65 -2.491 1.999 -12.519 1.00 0.00 C ATOM 1030 CE LYS A 65 -1.088 2.598 -12.398 1.00 0.00 C ATOM 1031 NZ LYS A 65 -0.733 3.025 -13.780 1.00 0.00 N ATOM 0 H LYS A 65 -1.798 -1.340 -10.265 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.549 1.367 -9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.559 -1.095 -11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.424 0.421 -11.619 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.409 0.182 -12.070 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.577 0.011 -13.365 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.933 2.272 -13.477 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.139 2.403 -11.742 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.077 3.442 -11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.377 1.865 -12.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.218 3.447 -13.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.745 2.199 -14.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.423 3.727 -14.114 1.00 0.00 H new ATOM 1045 N CYS A 66 -4.675 -0.657 -8.531 1.00 0.00 N ATOM 1046 CA CYS A 66 -5.850 -0.641 -7.613 1.00 0.00 C ATOM 1047 C CYS A 66 -5.678 0.458 -6.561 1.00 0.00 C ATOM 1048 O CYS A 66 -6.630 1.085 -6.139 1.00 0.00 O ATOM 1049 CB CYS A 66 -5.856 -2.017 -6.948 1.00 0.00 C ATOM 1050 SG CYS A 66 -7.343 -2.186 -5.928 1.00 0.00 S ATOM 0 H CYS A 66 -4.274 -1.578 -8.708 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.783 -0.440 -8.140 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.831 -2.800 -7.706 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.964 -2.140 -6.333 1.00 0.00 H new ATOM 1055 N PHE A 67 -4.468 0.693 -6.133 1.00 0.00 N ATOM 1056 CA PHE A 67 -4.228 1.747 -5.107 1.00 0.00 C ATOM 1057 C PHE A 67 -4.751 3.098 -5.602 1.00 0.00 C ATOM 1058 O PHE A 67 -4.684 3.410 -6.774 1.00 0.00 O ATOM 1059 CB PHE A 67 -2.710 1.793 -4.935 1.00 0.00 C ATOM 1060 CG PHE A 67 -2.354 2.806 -3.875 1.00 0.00 C ATOM 1061 CD1 PHE A 67 -2.314 2.426 -2.527 1.00 0.00 C ATOM 1062 CD2 PHE A 67 -2.064 4.127 -4.238 1.00 0.00 C ATOM 1063 CE1 PHE A 67 -1.983 3.367 -1.544 1.00 0.00 C ATOM 1064 CE2 PHE A 67 -1.734 5.067 -3.255 1.00 0.00 C ATOM 1065 CZ PHE A 67 -1.694 4.688 -1.908 1.00 0.00 C ATOM 0 H PHE A 67 -3.634 0.200 -6.450 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.740 1.533 -4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.335 0.809 -4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.234 2.057 -5.880 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.538 1.408 -2.246 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.095 4.421 -5.277 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.951 3.074 -0.505 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.510 6.086 -3.536 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.440 5.414 -1.150 1.00 0.00 H new ATOM 1075 N LYS A 68 -5.270 3.902 -4.715 1.00 0.00 N ATOM 1076 CA LYS A 68 -5.794 5.234 -5.132 1.00 0.00 C ATOM 1077 C LYS A 68 -5.487 6.277 -4.055 1.00 0.00 C ATOM 1078 O LYS A 68 -6.285 6.528 -3.175 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.305 5.038 -5.276 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.692 5.110 -6.756 1.00 0.00 C ATOM 1081 CD LYS A 68 -9.096 4.533 -6.945 1.00 0.00 C ATOM 1082 CE LYS A 68 -9.062 3.452 -8.028 1.00 0.00 C ATOM 1083 NZ LYS A 68 -10.484 3.046 -8.210 1.00 0.00 N ATOM 0 H LYS A 68 -5.354 3.695 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.341 5.588 -6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.599 4.075 -4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.837 5.805 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.663 6.144 -7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.974 4.553 -7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.457 4.112 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.791 5.324 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.639 3.836 -8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.446 2.606 -7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.543 2.306 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.858 2.678 -7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.045 3.870 -8.507 1.00 0.00 H new ATOM 1097 N GLU A 69 -4.332 6.886 -4.116 1.00 0.00 N ATOM 1098 CA GLU A 69 -3.974 7.912 -3.095 1.00 0.00 C ATOM 1099 C GLU A 69 -5.175 8.817 -2.811 1.00 0.00 C ATOM 1100 O GLU A 69 -5.794 8.737 -1.768 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.832 8.715 -3.718 1.00 0.00 C ATOM 1102 CG GLU A 69 -1.739 8.948 -2.673 1.00 0.00 C ATOM 1103 CD GLU A 69 -0.417 9.257 -3.377 1.00 0.00 C ATOM 1104 OE1 GLU A 69 0.226 8.322 -3.824 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -0.070 10.423 -3.456 1.00 0.00 O ATOM 0 H GLU A 69 -3.622 6.717 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.683 7.463 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.422 8.179 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.205 9.670 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.017 9.775 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.630 8.066 -2.043 1.00 0.00 H new ATOM 1112 N HIS A 70 -5.512 9.677 -3.734 1.00 0.00 N ATOM 1113 CA HIS A 70 -6.673 10.586 -3.518 1.00 0.00 C ATOM 1114 C HIS A 70 -7.176 11.127 -4.859 1.00 0.00 C ATOM 1115 O HIS A 70 -6.550 11.970 -5.472 1.00 0.00 O ATOM 1116 CB HIS A 70 -6.134 11.720 -2.650 1.00 0.00 C ATOM 1117 CG HIS A 70 -7.283 12.477 -2.044 1.00 0.00 C ATOM 1118 ND1 HIS A 70 -7.659 12.317 -0.720 1.00 0.00 N ATOM 1119 CD2 HIS A 70 -8.154 13.399 -2.571 1.00 0.00 C ATOM 1120 CE1 HIS A 70 -8.712 13.124 -0.496 1.00 0.00 C ATOM 1121 NE2 HIS A 70 -9.055 13.806 -1.591 1.00 0.00 N ATOM 0 H HIS A 70 -5.033 9.789 -4.628 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.513 10.078 -3.045 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.494 11.318 -1.864 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.519 12.391 -3.250 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -7.218 11.699 -0.039 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.142 13.754 -3.591 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.218 13.210 0.454 1.00 0.00 H new ATOM 1129 N SER A 71 -8.298 10.652 -5.320 1.00 0.00 N ATOM 1130 CA SER A 71 -8.836 11.143 -6.620 1.00 0.00 C ATOM 1131 C SER A 71 -10.314 10.767 -6.760 1.00 0.00 C ATOM 1132 O SER A 71 -10.733 10.214 -7.757 1.00 0.00 O ATOM 1133 CB SER A 71 -7.999 10.437 -7.685 1.00 0.00 C ATOM 1134 OG SER A 71 -8.582 10.655 -8.963 1.00 0.00 O ATOM 0 H SER A 71 -8.867 9.945 -4.854 1.00 0.00 H new ATOM 0 HA SER A 71 -8.777 12.228 -6.708 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.977 10.815 -7.670 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.947 9.369 -7.474 1.00 0.00 H new ATOM 0 HG SER A 71 -9.495 10.299 -8.971 1.00 0.00 H new ATOM 1140 N SER A 72 -11.106 11.064 -5.767 1.00 0.00 N ATOM 1141 CA SER A 72 -12.557 10.725 -5.843 1.00 0.00 C ATOM 1142 C SER A 72 -13.299 11.305 -4.635 1.00 0.00 C ATOM 1143 O SER A 72 -13.438 10.663 -3.613 1.00 0.00 O ATOM 1144 CB SER A 72 -12.610 9.198 -5.820 1.00 0.00 C ATOM 1145 OG SER A 72 -12.553 8.708 -7.154 1.00 0.00 O ATOM 0 H SER A 72 -10.813 11.526 -4.906 1.00 0.00 H new ATOM 0 HA SER A 72 -13.030 11.136 -6.735 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.777 8.802 -5.239 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.526 8.861 -5.335 1.00 0.00 H new ATOM 0 HG SER A 72 -12.009 9.312 -7.701 1.00 0.00 H new ATOM 1151 N LEU A 73 -13.777 12.514 -4.746 1.00 0.00 N ATOM 1152 CA LEU A 73 -14.512 13.134 -3.605 1.00 0.00 C ATOM 1153 C LEU A 73 -15.991 13.303 -3.961 1.00 0.00 C ATOM 1154 O LEU A 73 -16.622 14.272 -3.590 1.00 0.00 O ATOM 1155 CB LEU A 73 -13.852 14.498 -3.403 1.00 0.00 C ATOM 1156 CG LEU A 73 -12.466 14.310 -2.780 1.00 0.00 C ATOM 1157 CD1 LEU A 73 -11.739 15.655 -2.743 1.00 0.00 C ATOM 1158 CD2 LEU A 73 -12.618 13.776 -1.354 1.00 0.00 C ATOM 0 H LEU A 73 -13.691 13.100 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 73 -14.468 12.522 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.765 15.016 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.471 15.121 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.892 13.601 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.752 15.523 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.633 16.039 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.313 16.363 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.632 13.641 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.191 14.487 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.139 12.819 -1.377 1.00 0.00 H new ATOM 1170 N ALA A 74 -16.547 12.369 -4.682 1.00 0.00 N ATOM 1171 CA ALA A 74 -17.983 12.478 -5.066 1.00 0.00 C ATOM 1172 C ALA A 74 -18.875 11.873 -3.977 1.00 0.00 C ATOM 1173 O ALA A 74 -19.486 12.580 -3.199 1.00 0.00 O ATOM 1174 CB ALA A 74 -18.106 11.679 -6.364 1.00 0.00 C ATOM 0 H ALA A 74 -16.069 11.535 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 74 -18.298 13.514 -5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -19.138 11.710 -6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -17.453 12.112 -7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -17.815 10.644 -6.183 1.00 0.00 H new ATOM 1180 N PHE A 75 -18.959 10.573 -3.920 1.00 0.00 N ATOM 1181 CA PHE A 75 -19.816 9.926 -2.886 1.00 0.00 C ATOM 1182 C PHE A 75 -18.954 9.356 -1.756 1.00 0.00 C ATOM 1183 O PHE A 75 -17.741 9.399 -1.803 1.00 0.00 O ATOM 1184 CB PHE A 75 -20.541 8.801 -3.626 1.00 0.00 C ATOM 1185 CG PHE A 75 -22.033 8.985 -3.485 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -22.679 10.020 -4.169 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -22.769 8.119 -2.667 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -24.062 10.190 -4.037 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -24.153 8.289 -2.535 1.00 0.00 C ATOM 1190 CZ PHE A 75 -24.799 9.324 -3.220 1.00 0.00 C ATOM 0 H PHE A 75 -18.472 9.930 -4.544 1.00 0.00 H new ATOM 0 HA PHE A 75 -20.510 10.630 -2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -20.261 8.805 -4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -20.243 7.834 -3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -22.111 10.688 -4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -22.270 7.321 -2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -24.561 10.989 -4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -24.721 7.621 -1.905 1.00 0.00 H new ATOM 0 HZ PHE A 75 -25.866 9.455 -3.119 1.00 0.00 H new ATOM 1200 N TRP A 76 -19.575 8.821 -0.739 1.00 0.00 N ATOM 1201 CA TRP A 76 -18.797 8.246 0.398 1.00 0.00 C ATOM 1202 C TRP A 76 -17.652 7.376 -0.126 1.00 0.00 C ATOM 1203 O TRP A 76 -17.871 6.385 -0.794 1.00 0.00 O ATOM 1204 CB TRP A 76 -19.802 7.397 1.170 1.00 0.00 C ATOM 1205 CG TRP A 76 -19.869 7.880 2.580 1.00 0.00 C ATOM 1206 CD1 TRP A 76 -20.541 8.978 2.994 1.00 0.00 C ATOM 1207 CD2 TRP A 76 -19.250 7.309 3.765 1.00 0.00 C ATOM 1208 NE1 TRP A 76 -20.381 9.111 4.362 1.00 0.00 N ATOM 1209 CE2 TRP A 76 -19.591 8.105 4.884 1.00 0.00 C ATOM 1210 CE3 TRP A 76 -18.435 6.186 3.975 1.00 0.00 C ATOM 1211 CZ2 TRP A 76 -19.139 7.795 6.167 1.00 0.00 C ATOM 1212 CZ3 TRP A 76 -17.976 5.870 5.264 1.00 0.00 C ATOM 1213 CH2 TRP A 76 -18.328 6.673 6.358 1.00 0.00 C ATOM 0 H TRP A 76 -20.589 8.757 -0.646 1.00 0.00 H new ATOM 0 HA TRP A 76 -18.346 9.018 1.022 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -20.785 7.461 0.704 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -19.505 6.348 1.146 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -21.110 9.643 2.360 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -20.795 9.860 4.917 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -18.159 5.560 3.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -19.414 8.417 7.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -17.348 5.004 5.413 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -17.973 6.425 7.347 1.00 0.00 H new ATOM 1224 N LYS A 77 -16.434 7.735 0.173 1.00 0.00 N ATOM 1225 CA LYS A 77 -15.279 6.923 -0.307 1.00 0.00 C ATOM 1226 C LYS A 77 -14.366 6.557 0.865 1.00 0.00 C ATOM 1227 O LYS A 77 -13.845 7.414 1.550 1.00 0.00 O ATOM 1228 CB LYS A 77 -14.542 7.824 -1.299 1.00 0.00 C ATOM 1229 CG LYS A 77 -13.299 7.098 -1.816 1.00 0.00 C ATOM 1230 CD LYS A 77 -12.411 8.084 -2.577 1.00 0.00 C ATOM 1231 CE LYS A 77 -10.989 7.527 -2.665 1.00 0.00 C ATOM 1232 NZ LYS A 77 -10.121 8.719 -2.876 1.00 0.00 N ATOM 0 H LYS A 77 -16.188 8.554 0.728 1.00 0.00 H new ATOM 0 HA LYS A 77 -15.597 5.987 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.198 8.082 -2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.257 8.759 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.747 6.663 -0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.591 6.276 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.810 8.252 -3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.404 9.049 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.716 6.996 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.893 6.818 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.216 8.420 -3.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.595 9.384 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.944 9.186 -1.964 1.00 0.00 H new ATOM 1246 N THR A 78 -14.166 5.289 1.099 1.00 0.00 N ATOM 1247 CA THR A 78 -13.286 4.869 2.226 1.00 0.00 C ATOM 1248 C THR A 78 -12.045 4.151 1.689 1.00 0.00 C ATOM 1249 O THR A 78 -12.142 3.181 0.965 1.00 0.00 O ATOM 1250 CB THR A 78 -14.140 3.916 3.060 1.00 0.00 C ATOM 1251 OG1 THR A 78 -15.333 4.578 3.461 1.00 0.00 O ATOM 1252 CG2 THR A 78 -13.357 3.476 4.298 1.00 0.00 C ATOM 0 H THR A 78 -14.574 4.526 0.559 1.00 0.00 H new ATOM 0 HA THR A 78 -12.932 5.717 2.812 1.00 0.00 H new ATOM 0 HB THR A 78 -14.394 3.040 2.464 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.883 3.967 3.995 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.968 2.796 4.892 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.444 2.968 3.989 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.101 4.350 4.896 1.00 0.00 H new ATOM 1260 N ASP A 79 -10.879 4.623 2.037 1.00 0.00 N ATOM 1261 CA ASP A 79 -9.632 3.970 1.544 1.00 0.00 C ATOM 1262 C ASP A 79 -9.535 2.537 2.075 1.00 0.00 C ATOM 1263 O ASP A 79 -9.753 2.281 3.243 1.00 0.00 O ATOM 1264 CB ASP A 79 -8.494 4.825 2.102 1.00 0.00 C ATOM 1265 CG ASP A 79 -7.827 5.594 0.961 1.00 0.00 C ATOM 1266 OD1 ASP A 79 -8.543 6.064 0.091 1.00 0.00 O ATOM 1267 OD2 ASP A 79 -6.611 5.701 0.975 1.00 0.00 O ATOM 0 H ASP A 79 -10.736 5.432 2.641 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.602 3.906 0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.879 5.521 2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.762 4.192 2.605 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.202 1.601 1.227 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.083 0.187 1.688 1.00 0.00 C ATOM 1274 C ALA A 80 -8.344 0.138 3.024 1.00 0.00 C ATOM 1275 O ALA A 80 -8.692 -0.616 3.911 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.273 -0.516 0.599 1.00 0.00 C ATOM 0 H ALA A 80 -9.008 1.754 0.237 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.053 -0.286 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.141 -1.565 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.803 -0.446 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.297 -0.039 0.507 1.00 0.00 H new ATOM 1282 N SER A 81 -7.330 0.943 3.176 1.00 0.00 N ATOM 1283 CA SER A 81 -6.570 0.952 4.458 1.00 0.00 C ATOM 1284 C SER A 81 -7.537 1.048 5.642 1.00 0.00 C ATOM 1285 O SER A 81 -7.207 0.689 6.755 1.00 0.00 O ATOM 1286 CB SER A 81 -5.689 2.198 4.388 1.00 0.00 C ATOM 1287 OG SER A 81 -4.365 1.818 4.033 1.00 0.00 O ATOM 0 H SER A 81 -6.994 1.596 2.468 1.00 0.00 H new ATOM 0 HA SER A 81 -5.983 0.044 4.596 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.088 2.899 3.654 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.687 2.711 5.350 1.00 0.00 H new ATOM 0 HG SER A 81 -3.797 2.615 3.986 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.728 1.530 5.411 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.713 1.650 6.525 1.00 0.00 C ATOM 1295 C ASP A 82 -10.909 0.724 6.281 1.00 0.00 C ATOM 1296 O ASP A 82 -12.013 0.998 6.707 1.00 0.00 O ATOM 1297 CB ASP A 82 -10.155 3.112 6.505 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.930 4.019 6.627 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.837 3.493 6.752 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -9.106 5.227 6.591 1.00 0.00 O ATOM 0 H ASP A 82 -9.062 1.846 4.500 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.285 1.365 7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.690 3.328 5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.846 3.305 7.325 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.697 -0.370 5.603 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.823 -1.313 5.339 1.00 0.00 C ATOM 1307 C VAL A 83 -11.472 -2.707 5.861 1.00 0.00 C ATOM 1308 O VAL A 83 -10.323 -3.098 5.890 1.00 0.00 O ATOM 1309 CB VAL A 83 -11.981 -1.337 3.818 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.341 -1.938 3.458 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -11.896 0.090 3.272 1.00 0.00 C ATOM 0 H VAL A 83 -9.795 -0.653 5.220 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.743 -1.005 5.836 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.187 -1.941 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.455 -1.956 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.404 -2.955 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.134 -1.332 3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.009 0.072 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.690 0.695 3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.928 0.521 3.529 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.452 -3.461 6.274 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.168 -4.829 6.793 1.00 0.00 C ATOM 1323 C LYS A 84 -12.143 -5.836 5.634 1.00 0.00 C ATOM 1324 O LYS A 84 -12.946 -5.745 4.726 1.00 0.00 O ATOM 1325 CB LYS A 84 -13.323 -5.137 7.749 1.00 0.00 C ATOM 1326 CG LYS A 84 -14.645 -5.127 6.977 1.00 0.00 C ATOM 1327 CD LYS A 84 -15.679 -4.299 7.744 1.00 0.00 C ATOM 1328 CE LYS A 84 -16.702 -3.722 6.761 1.00 0.00 C ATOM 1329 NZ LYS A 84 -17.788 -4.740 6.688 1.00 0.00 N ATOM 0 H LYS A 84 -13.435 -3.191 6.275 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.201 -4.892 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.171 -6.109 8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.352 -4.398 8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.494 -4.708 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.007 -6.146 6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.181 -4.921 8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.185 -3.493 8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.084 -2.762 7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.255 -3.552 5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.526 -4.414 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.397 -5.641 6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -18.200 -4.876 7.633 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.219 -6.768 5.693 1.00 0.00 N ATOM 1344 CA PRO A 85 -11.103 -7.791 4.626 1.00 0.00 C ATOM 1345 C PRO A 85 -12.380 -8.632 4.556 1.00 0.00 C ATOM 1346 O PRO A 85 -12.971 -8.962 5.565 1.00 0.00 O ATOM 1347 CB PRO A 85 -9.913 -8.634 5.095 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.388 -8.056 6.423 1.00 0.00 C ATOM 1349 CD PRO A 85 -10.255 -6.851 6.814 1.00 0.00 C ATOM 0 HA PRO A 85 -10.965 -7.374 3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.216 -9.673 5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.125 -8.626 4.342 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.422 -8.815 7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.346 -7.753 6.317 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.757 -7.006 7.769 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.664 -5.940 6.908 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.816 -8.983 3.375 1.00 0.00 N ATOM 1358 CA CYS A 86 -14.058 -9.800 3.264 1.00 0.00 C ATOM 1359 C CYS A 86 -13.989 -10.996 4.216 1.00 0.00 C ATOM 1360 O CYS A 86 -15.028 -11.580 4.479 1.00 0.00 O ATOM 1361 CB CYS A 86 -14.105 -10.274 1.812 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.817 -10.221 1.222 1.00 0.00 S ATOM 1363 OXT CYS A 86 -12.898 -11.308 4.666 1.00 0.00 O ATOM 0 H CYS A 86 -12.370 -8.742 2.490 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.948 -9.229 3.530 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.474 -9.640 1.190 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.713 -11.288 1.735 1.00 0.00 H new TER 1368 CYS A 86