USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 937 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 16 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 24 MET CE :methyl -146:sc= -6.26! (180deg=-11.6!) USER MOD Set 1.3: A 45 LYS NZ :NH3+ -103:sc= -0.121 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -103:sc= 0.31 (180deg=-0.0482) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0466) USER MOD Single : A 14 LYS NZ :NH3+ -109:sc= -0.0161 (180deg=-1.07) USER MOD Single : A 19 ASN : amide:sc= -0.0356 K(o=-0.036,f=-1.8!) USER MOD Single : A 20 THR OG1 : rot 100:sc= -1.32 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.8 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.518 USER MOD Single : A 42 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.0052) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.149) USER MOD Single : A 53 SER OG : rot 20:sc= -4.21! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -140:sc= -0.0705 USER MOD Single : A 57 SER OG : rot -170:sc= -0.199 USER MOD Single : A 59 CYS SG : rot 69:sc= -3.95! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= -0.069 (180deg=-0.935) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.958 USER MOD Single : A 73 THR OG1 : rot -32:sc= 0.738! USER MOD Single : A 74 THR OG1 : rot 32:sc= 0.522 USER MOD Single : A 75 LYS NZ :NH3+ 152:sc= -0.349 (180deg=-1.75!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.024) USER MOD Single : A 82 GLN : amide:sc= -0.533 K(o=-0.53,f=-3.8!) USER MOD Single : A 97 ASN : amide:sc= -3.45! C(o=-3.5!,f=-6.4!) USER MOD Single : A 98 LYS NZ :NH3+ 162:sc=-0.00673 (180deg=-0.152) USER MOD Single : A 101 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00822) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-4.4!) USER MOD Single : A 111 HIS : no HD1:sc= -0.0888 X(o=-0.089,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.0717 X(o=-0.072,f=-0.18) USER MOD Single : A 113 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.061 16.130 2.856 1.00 0.00 N ATOM 2 CA MET A 1 -16.944 15.447 3.843 1.00 0.00 C ATOM 3 C MET A 1 -16.876 13.932 3.627 1.00 0.00 C ATOM 4 O MET A 1 -17.865 13.296 3.322 1.00 0.00 O ATOM 5 CB MET A 1 -18.385 15.925 3.657 1.00 0.00 C ATOM 6 CG MET A 1 -18.497 17.390 4.089 1.00 0.00 C ATOM 7 SD MET A 1 -19.745 17.541 5.392 1.00 0.00 S ATOM 8 CE MET A 1 -19.310 19.212 5.930 1.00 0.00 C ATOM 0 H1 MET A 1 -15.183 16.430 3.325 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.833 15.474 2.082 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.550 16.963 2.471 1.00 0.00 H new ATOM 0 HA MET A 1 -16.611 15.685 4.853 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.683 15.819 2.614 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.063 15.308 4.247 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.533 17.748 4.450 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.769 18.012 3.236 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.968 19.515 6.745 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.276 19.226 6.274 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.424 19.904 5.096 1.00 0.00 H new ATOM 20 N GLU A 2 -15.718 13.352 3.784 1.00 0.00 N ATOM 21 CA GLU A 2 -15.590 11.880 3.588 1.00 0.00 C ATOM 22 C GLU A 2 -14.294 11.391 4.244 1.00 0.00 C ATOM 23 O GLU A 2 -13.396 12.170 4.491 1.00 0.00 O ATOM 24 CB GLU A 2 -15.557 11.562 2.092 1.00 0.00 C ATOM 25 CG GLU A 2 -14.378 12.287 1.439 1.00 0.00 C ATOM 26 CD GLU A 2 -14.886 13.148 0.281 1.00 0.00 C ATOM 27 OE1 GLU A 2 -15.588 14.110 0.547 1.00 0.00 O ATOM 28 OE2 GLU A 2 -14.564 12.832 -0.852 1.00 0.00 O ATOM 0 H GLU A 2 -14.856 13.833 4.039 1.00 0.00 H new ATOM 0 HA GLU A 2 -16.443 11.377 4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.465 10.487 1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -16.491 11.871 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.869 12.911 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.649 11.563 1.075 1.00 0.00 H new ATOM 35 N PRO A 3 -14.238 10.109 4.505 1.00 0.00 N ATOM 36 CA PRO A 3 -13.071 9.500 5.126 1.00 0.00 C ATOM 37 C PRO A 3 -11.801 9.917 4.379 1.00 0.00 C ATOM 38 O PRO A 3 -11.719 9.817 3.171 1.00 0.00 O ATOM 39 CB PRO A 3 -13.310 7.999 4.998 1.00 0.00 C ATOM 40 CG PRO A 3 -14.863 7.883 4.903 1.00 0.00 C ATOM 41 CD PRO A 3 -15.340 9.185 4.195 1.00 0.00 C ATOM 0 HA PRO A 3 -12.937 9.805 6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.822 7.589 4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.919 7.456 5.858 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.156 6.999 4.336 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -15.310 7.789 5.893 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.468 9.045 3.122 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.294 9.539 4.586 1.00 0.00 H new ATOM 49 N LYS A 4 -10.811 10.386 5.088 1.00 0.00 N ATOM 50 CA LYS A 4 -9.552 10.813 4.416 1.00 0.00 C ATOM 51 C LYS A 4 -8.568 9.642 4.374 1.00 0.00 C ATOM 52 O LYS A 4 -7.615 9.592 5.124 1.00 0.00 O ATOM 53 CB LYS A 4 -8.928 11.974 5.195 1.00 0.00 C ATOM 54 CG LYS A 4 -10.037 12.851 5.779 1.00 0.00 C ATOM 55 CD LYS A 4 -9.415 14.048 6.501 1.00 0.00 C ATOM 56 CE LYS A 4 -10.462 15.153 6.651 1.00 0.00 C ATOM 57 NZ LYS A 4 -9.971 16.173 7.622 1.00 0.00 N ATOM 0 H LYS A 4 -10.820 10.492 6.102 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.776 11.133 3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.294 11.590 5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.290 12.565 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.699 13.196 4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.646 12.271 6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.048 13.744 7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.557 14.419 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.656 15.619 5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.406 14.731 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.682 16.925 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.807 15.723 8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.081 16.583 7.274 1.00 0.00 H new ATOM 71 N ARG A 5 -8.790 8.699 3.499 1.00 0.00 N ATOM 72 CA ARG A 5 -7.866 7.534 3.408 1.00 0.00 C ATOM 73 C ARG A 5 -7.862 6.779 4.739 1.00 0.00 C ATOM 74 O ARG A 5 -7.873 7.370 5.800 1.00 0.00 O ATOM 75 CB ARG A 5 -6.451 8.030 3.099 1.00 0.00 C ATOM 76 CG ARG A 5 -6.477 8.899 1.840 1.00 0.00 C ATOM 77 CD ARG A 5 -6.203 10.356 2.219 1.00 0.00 C ATOM 78 NE ARG A 5 -6.624 11.248 1.103 1.00 0.00 N ATOM 79 CZ ARG A 5 -7.845 11.704 1.056 1.00 0.00 C ATOM 80 NH1 ARG A 5 -8.234 12.618 1.904 1.00 0.00 N ATOM 81 NH2 ARG A 5 -8.680 11.248 0.162 1.00 0.00 N ATOM 0 H ARG A 5 -9.571 8.686 2.844 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.200 6.867 2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.063 8.603 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.781 7.183 2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.728 8.550 1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.446 8.816 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.745 10.614 3.129 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.143 10.495 2.429 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.957 11.503 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.583 12.975 2.603 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.189 12.975 1.867 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.378 10.534 -0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.635 11.606 0.126 1.00 0.00 H new ATOM 95 N ILE A 6 -7.847 5.476 4.689 1.00 0.00 N ATOM 96 CA ILE A 6 -7.845 4.678 5.948 1.00 0.00 C ATOM 97 C ILE A 6 -6.471 4.768 6.617 1.00 0.00 C ATOM 98 O ILE A 6 -6.351 4.668 7.822 1.00 0.00 O ATOM 99 CB ILE A 6 -8.158 3.217 5.621 1.00 0.00 C ATOM 100 CG1 ILE A 6 -9.599 3.107 5.114 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.991 2.364 6.879 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.883 1.664 4.693 1.00 0.00 C ATOM 0 H ILE A 6 -7.836 4.928 3.829 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.601 5.073 6.627 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.473 2.862 4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -10.295 3.413 5.895 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.751 3.780 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.214 1.323 6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.965 2.443 7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.674 2.717 7.651 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.909 1.585 4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.195 1.375 3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.748 1.002 5.548 1.00 0.00 H new ATOM 114 N ARG A 7 -5.431 4.950 5.849 1.00 0.00 N ATOM 115 CA ARG A 7 -4.068 5.039 6.451 1.00 0.00 C ATOM 116 C ARG A 7 -3.211 6.030 5.662 1.00 0.00 C ATOM 117 O ARG A 7 -3.552 6.430 4.567 1.00 0.00 O ATOM 118 CB ARG A 7 -3.405 3.663 6.420 1.00 0.00 C ATOM 119 CG ARG A 7 -3.425 3.060 7.820 1.00 0.00 C ATOM 120 CD ARG A 7 -2.138 3.435 8.546 1.00 0.00 C ATOM 121 NE ARG A 7 -2.344 4.703 9.300 1.00 0.00 N ATOM 122 CZ ARG A 7 -3.053 4.705 10.397 1.00 0.00 C ATOM 123 NH1 ARG A 7 -3.666 3.618 10.784 1.00 0.00 N ATOM 124 NH2 ARG A 7 -3.150 5.794 11.109 1.00 0.00 N ATOM 0 H ARG A 7 -5.465 5.041 4.834 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.157 5.382 7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.930 3.010 5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.378 3.750 6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.289 3.426 8.374 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.520 1.976 7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.847 2.637 9.229 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.325 3.553 7.830 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.931 5.571 8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.591 2.765 10.229 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.219 3.622 11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.672 6.644 10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.704 5.796 11.966 1.00 0.00 H new ATOM 138 N GLU A 8 -2.095 6.421 6.213 1.00 0.00 N ATOM 139 CA GLU A 8 -1.200 7.373 5.499 1.00 0.00 C ATOM 140 C GLU A 8 0.011 7.685 6.369 1.00 0.00 C ATOM 141 O GLU A 8 -0.111 8.066 7.516 1.00 0.00 O ATOM 142 CB GLU A 8 -1.940 8.672 5.182 1.00 0.00 C ATOM 143 CG GLU A 8 -2.694 9.160 6.423 1.00 0.00 C ATOM 144 CD GLU A 8 -4.116 8.597 6.417 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.915 9.066 5.623 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.384 7.710 7.210 1.00 0.00 O ATOM 0 H GLU A 8 -1.764 6.121 7.130 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.878 6.913 4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.232 9.433 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.639 8.511 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.171 8.844 7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.724 10.249 6.437 1.00 0.00 H new ATOM 153 N GLY A 9 1.179 7.534 5.823 1.00 0.00 N ATOM 154 CA GLY A 9 2.413 7.823 6.596 1.00 0.00 C ATOM 155 C GLY A 9 3.557 8.077 5.621 1.00 0.00 C ATOM 156 O GLY A 9 3.368 8.627 4.555 1.00 0.00 O ATOM 0 H GLY A 9 1.334 7.220 4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.262 8.693 7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.654 6.985 7.250 1.00 0.00 H new ATOM 160 N TYR A 10 4.744 7.683 5.975 1.00 0.00 N ATOM 161 CA TYR A 10 5.899 7.909 5.066 1.00 0.00 C ATOM 162 C TYR A 10 6.831 6.695 5.083 1.00 0.00 C ATOM 163 O TYR A 10 7.740 6.612 5.883 1.00 0.00 O ATOM 164 CB TYR A 10 6.674 9.143 5.534 1.00 0.00 C ATOM 165 CG TYR A 10 6.964 9.022 7.011 1.00 0.00 C ATOM 166 CD1 TYR A 10 5.926 9.145 7.943 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.275 8.786 7.449 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.196 9.031 9.313 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.545 8.673 8.819 1.00 0.00 C ATOM 170 CZ TYR A 10 7.506 8.795 9.751 1.00 0.00 C ATOM 171 OH TYR A 10 7.773 8.683 11.100 1.00 0.00 O ATOM 0 H TYR A 10 4.966 7.214 6.853 1.00 0.00 H new ATOM 0 HA TYR A 10 5.529 8.061 4.052 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.606 9.235 4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.095 10.046 5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.917 9.328 7.605 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.076 8.691 6.731 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.395 9.125 10.031 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.555 8.492 9.157 1.00 0.00 H new ATOM 0 HH TYR A 10 8.730 8.519 11.232 1.00 0.00 H new ATOM 181 N LEU A 11 6.628 5.764 4.191 1.00 0.00 N ATOM 182 CA LEU A 11 7.527 4.573 4.150 1.00 0.00 C ATOM 183 C LEU A 11 8.224 4.532 2.789 1.00 0.00 C ATOM 184 O LEU A 11 7.797 5.166 1.844 1.00 0.00 O ATOM 185 CB LEU A 11 6.726 3.279 4.350 1.00 0.00 C ATOM 186 CG LEU A 11 5.575 3.504 5.336 1.00 0.00 C ATOM 187 CD1 LEU A 11 6.042 4.363 6.509 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.429 4.196 4.602 1.00 0.00 C ATOM 0 H LEU A 11 5.884 5.775 3.493 1.00 0.00 H new ATOM 0 HA LEU A 11 8.260 4.652 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.331 2.938 3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.382 2.492 4.722 1.00 0.00 H new ATOM 0 HG LEU A 11 5.237 2.545 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.214 4.515 7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.859 3.860 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.387 5.328 6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.602 4.362 5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.773 5.153 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.092 3.567 3.778 1.00 0.00 H new ATOM 200 N VAL A 12 9.298 3.800 2.678 1.00 0.00 N ATOM 201 CA VAL A 12 10.020 3.733 1.376 1.00 0.00 C ATOM 202 C VAL A 12 9.386 2.658 0.490 1.00 0.00 C ATOM 203 O VAL A 12 8.987 1.609 0.953 1.00 0.00 O ATOM 204 CB VAL A 12 11.493 3.398 1.632 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.589 2.276 2.667 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.157 2.945 0.327 1.00 0.00 C ATOM 0 H VAL A 12 9.706 3.246 3.431 1.00 0.00 H new ATOM 0 HA VAL A 12 9.951 4.695 0.869 1.00 0.00 H new ATOM 0 HB VAL A 12 12.003 4.286 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.637 2.038 2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.123 2.599 3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.075 1.391 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.204 2.708 0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.647 2.060 -0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.093 3.745 -0.411 1.00 0.00 H new ATOM 216 N LYS A 13 9.295 2.916 -0.785 1.00 0.00 N ATOM 217 CA LYS A 13 8.691 1.916 -1.709 1.00 0.00 C ATOM 218 C LYS A 13 9.698 1.574 -2.808 1.00 0.00 C ATOM 219 O LYS A 13 10.428 2.423 -3.279 1.00 0.00 O ATOM 220 CB LYS A 13 7.425 2.501 -2.339 1.00 0.00 C ATOM 221 CG LYS A 13 6.335 2.628 -1.273 1.00 0.00 C ATOM 222 CD LYS A 13 5.030 2.034 -1.804 1.00 0.00 C ATOM 223 CE LYS A 13 4.666 0.789 -0.994 1.00 0.00 C ATOM 224 NZ LYS A 13 3.372 0.237 -1.486 1.00 0.00 N ATOM 0 H LYS A 13 9.614 3.778 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 13 8.434 1.014 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.640 3.478 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.081 1.861 -3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.639 2.110 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.189 3.676 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.229 2.771 -1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.138 1.776 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.452 0.039 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.588 1.040 0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.039 -0.502 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.666 0.999 -1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.507 -0.172 -2.433 1.00 0.00 H new ATOM 238 N LYS A 14 9.746 0.339 -3.222 1.00 0.00 N ATOM 239 CA LYS A 14 10.710 -0.050 -4.288 1.00 0.00 C ATOM 240 C LYS A 14 10.066 0.158 -5.660 1.00 0.00 C ATOM 241 O LYS A 14 9.095 -0.486 -6.005 1.00 0.00 O ATOM 242 CB LYS A 14 11.090 -1.522 -4.119 1.00 0.00 C ATOM 243 CG LYS A 14 12.320 -1.834 -4.974 1.00 0.00 C ATOM 244 CD LYS A 14 12.054 -3.085 -5.813 1.00 0.00 C ATOM 245 CE LYS A 14 13.193 -3.281 -6.816 1.00 0.00 C ATOM 246 NZ LYS A 14 13.345 -4.732 -7.117 1.00 0.00 N ATOM 0 H LYS A 14 9.160 -0.417 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 14 11.605 0.567 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.299 -1.736 -3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.257 -2.160 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.548 -0.989 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.190 -1.989 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.971 -3.958 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.105 -2.987 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.984 -2.728 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.123 -2.884 -6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.223 -5.086 -6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.534 -5.254 -6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.384 -4.871 -8.147 1.00 0.00 H new ATOM 260 N GLY A 15 10.599 1.054 -6.445 1.00 0.00 N ATOM 261 CA GLY A 15 10.017 1.303 -7.795 1.00 0.00 C ATOM 262 C GLY A 15 10.085 2.798 -8.111 1.00 0.00 C ATOM 263 O GLY A 15 9.210 3.560 -7.750 1.00 0.00 O ATOM 0 H GLY A 15 11.412 1.624 -6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.563 0.736 -8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.983 0.960 -7.826 1.00 0.00 H new ATOM 267 N SER A 16 11.120 3.225 -8.782 1.00 0.00 N ATOM 268 CA SER A 16 11.243 4.671 -9.121 1.00 0.00 C ATOM 269 C SER A 16 11.765 4.818 -10.551 1.00 0.00 C ATOM 270 O SER A 16 11.004 4.961 -11.488 1.00 0.00 O ATOM 271 CB SER A 16 12.219 5.338 -8.150 1.00 0.00 C ATOM 272 OG SER A 16 11.504 6.223 -7.298 1.00 0.00 O ATOM 0 H SER A 16 11.885 2.635 -9.110 1.00 0.00 H new ATOM 0 HA SER A 16 10.266 5.148 -9.042 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.734 4.582 -7.558 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.983 5.885 -8.703 1.00 0.00 H new ATOM 0 HG SER A 16 12.127 6.650 -6.674 1.00 0.00 H new ATOM 278 N VAL A 17 13.058 4.786 -10.728 1.00 0.00 N ATOM 279 CA VAL A 17 13.626 4.925 -12.099 1.00 0.00 C ATOM 280 C VAL A 17 14.056 3.552 -12.617 1.00 0.00 C ATOM 281 O VAL A 17 14.223 3.351 -13.804 1.00 0.00 O ATOM 282 CB VAL A 17 14.839 5.856 -12.057 1.00 0.00 C ATOM 283 CG1 VAL A 17 14.479 7.127 -11.287 1.00 0.00 C ATOM 284 CG2 VAL A 17 16.001 5.147 -11.356 1.00 0.00 C ATOM 0 H VAL A 17 13.745 4.670 -9.983 1.00 0.00 H new ATOM 0 HA VAL A 17 12.869 5.343 -12.763 1.00 0.00 H new ATOM 0 HB VAL A 17 15.132 6.118 -13.074 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.343 7.791 -11.257 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.651 7.632 -11.785 1.00 0.00 H new ATOM 0 HG13 VAL A 17 14.186 6.866 -10.270 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.866 5.809 -11.325 1.00 0.00 H new ATOM 0 HG22 VAL A 17 15.708 4.886 -10.339 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.258 4.240 -11.904 1.00 0.00 H new ATOM 294 N PHE A 18 14.237 2.605 -11.738 1.00 0.00 N ATOM 295 CA PHE A 18 14.657 1.247 -12.184 1.00 0.00 C ATOM 296 C PHE A 18 14.895 0.360 -10.962 1.00 0.00 C ATOM 297 O PHE A 18 15.995 -0.093 -10.717 1.00 0.00 O ATOM 298 CB PHE A 18 15.950 1.354 -12.996 1.00 0.00 C ATOM 299 CG PHE A 18 15.709 0.854 -14.399 1.00 0.00 C ATOM 300 CD1 PHE A 18 15.227 -0.446 -14.608 1.00 0.00 C ATOM 301 CD2 PHE A 18 15.966 1.689 -15.496 1.00 0.00 C ATOM 302 CE1 PHE A 18 15.004 -0.911 -15.910 1.00 0.00 C ATOM 303 CE2 PHE A 18 15.742 1.224 -16.798 1.00 0.00 C ATOM 304 CZ PHE A 18 15.262 -0.077 -17.005 1.00 0.00 C ATOM 0 H PHE A 18 14.112 2.713 -10.731 1.00 0.00 H new ATOM 0 HA PHE A 18 13.874 0.810 -12.803 1.00 0.00 H new ATOM 0 HB2 PHE A 18 16.291 2.389 -13.021 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.739 0.770 -12.521 1.00 0.00 H new ATOM 0 HD1 PHE A 18 15.027 -1.089 -13.764 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.337 2.691 -15.337 1.00 0.00 H new ATOM 0 HE1 PHE A 18 14.633 -1.913 -16.070 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.939 1.868 -17.643 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.091 -0.436 -18.009 1.00 0.00 H new ATOM 314 N ASN A 19 13.873 0.108 -10.191 1.00 0.00 N ATOM 315 CA ASN A 19 14.043 -0.750 -8.984 1.00 0.00 C ATOM 316 C ASN A 19 14.991 -0.061 -8.001 1.00 0.00 C ATOM 317 O ASN A 19 16.195 -0.092 -8.159 1.00 0.00 O ATOM 318 CB ASN A 19 14.632 -2.099 -9.400 1.00 0.00 C ATOM 319 CG ASN A 19 13.742 -2.737 -10.469 1.00 0.00 C ATOM 320 OD1 ASN A 19 12.687 -3.256 -10.166 1.00 0.00 O ATOM 321 ND2 ASN A 19 14.126 -2.719 -11.716 1.00 0.00 N ATOM 0 H ASN A 19 12.928 0.459 -10.344 1.00 0.00 H new ATOM 0 HA ASN A 19 13.075 -0.907 -8.507 1.00 0.00 H new ATOM 0 HB2 ASN A 19 15.642 -1.963 -9.786 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.708 -2.757 -8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 19 13.540 -3.141 -12.436 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.012 -2.283 -11.970 1.00 0.00 H new ATOM 328 N THR A 20 14.459 0.562 -6.985 1.00 0.00 N ATOM 329 CA THR A 20 15.333 1.252 -5.997 1.00 0.00 C ATOM 330 C THR A 20 14.674 1.223 -4.617 1.00 0.00 C ATOM 331 O THR A 20 13.685 0.551 -4.403 1.00 0.00 O ATOM 332 CB THR A 20 15.545 2.703 -6.430 1.00 0.00 C ATOM 333 OG1 THR A 20 14.295 3.277 -6.784 1.00 0.00 O ATOM 334 CG2 THR A 20 16.489 2.746 -7.633 1.00 0.00 C ATOM 0 H THR A 20 13.458 0.622 -6.797 1.00 0.00 H new ATOM 0 HA THR A 20 16.295 0.742 -5.948 1.00 0.00 H new ATOM 0 HB THR A 20 15.984 3.268 -5.608 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.962 3.820 -6.039 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.639 3.781 -7.941 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.448 2.306 -7.359 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.053 2.182 -8.458 1.00 0.00 H new ATOM 342 N TRP A 21 15.221 1.947 -3.677 1.00 0.00 N ATOM 343 CA TRP A 21 14.632 1.962 -2.308 1.00 0.00 C ATOM 344 C TRP A 21 14.716 3.378 -1.730 1.00 0.00 C ATOM 345 O TRP A 21 15.773 3.836 -1.344 1.00 0.00 O ATOM 346 CB TRP A 21 15.422 1.006 -1.411 1.00 0.00 C ATOM 347 CG TRP A 21 14.671 -0.277 -1.257 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.360 -1.123 -2.266 1.00 0.00 C ATOM 349 CD2 TRP A 21 14.135 -0.875 -0.041 1.00 0.00 C ATOM 350 NE1 TRP A 21 13.666 -2.202 -1.748 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.502 -2.095 -0.381 1.00 0.00 C ATOM 352 CE3 TRP A 21 14.136 -0.481 1.311 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.894 -2.895 0.587 1.00 0.00 C ATOM 354 CZ3 TRP A 21 13.525 -1.284 2.288 1.00 0.00 C ATOM 355 CH2 TRP A 21 12.904 -2.489 1.925 1.00 0.00 C ATOM 0 H TRP A 21 16.050 2.528 -3.799 1.00 0.00 H new ATOM 0 HA TRP A 21 13.589 1.649 -2.356 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.404 0.814 -1.844 1.00 0.00 H new ATOM 0 HB3 TRP A 21 15.587 1.461 -0.435 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.612 -0.979 -3.306 1.00 0.00 H new ATOM 0 HE1 TRP A 21 13.318 -2.981 -2.307 1.00 0.00 H new ATOM 0 HE3 TRP A 21 14.610 0.446 1.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.418 -3.823 0.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 13.533 -0.973 3.322 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.434 -3.103 2.679 1.00 0.00 H new ATOM 366 N LYS A 22 13.614 4.076 -1.665 1.00 0.00 N ATOM 367 CA LYS A 22 13.649 5.461 -1.107 1.00 0.00 C ATOM 368 C LYS A 22 12.332 5.762 -0.375 1.00 0.00 C ATOM 369 O LYS A 22 11.268 5.444 -0.869 1.00 0.00 O ATOM 370 CB LYS A 22 13.835 6.463 -2.248 1.00 0.00 C ATOM 371 CG LYS A 22 14.724 5.845 -3.329 1.00 0.00 C ATOM 372 CD LYS A 22 15.098 6.913 -4.358 1.00 0.00 C ATOM 373 CE LYS A 22 16.255 6.405 -5.221 1.00 0.00 C ATOM 374 NZ LYS A 22 16.750 7.509 -6.089 1.00 0.00 N ATOM 0 H LYS A 22 12.697 3.751 -1.971 1.00 0.00 H new ATOM 0 HA LYS A 22 14.478 5.545 -0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.867 6.734 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.287 7.380 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.625 5.428 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.202 5.022 -3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.238 7.147 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.384 7.836 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.062 6.038 -4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.924 5.567 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.536 7.164 -6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.979 7.840 -6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.081 8.296 -5.495 1.00 0.00 H new ATOM 388 N PRO A 23 12.441 6.375 0.783 1.00 0.00 N ATOM 389 CA PRO A 23 11.272 6.730 1.581 1.00 0.00 C ATOM 390 C PRO A 23 10.272 7.519 0.729 1.00 0.00 C ATOM 391 O PRO A 23 10.631 8.113 -0.269 1.00 0.00 O ATOM 392 CB PRO A 23 11.825 7.607 2.701 1.00 0.00 C ATOM 393 CG PRO A 23 13.317 7.166 2.809 1.00 0.00 C ATOM 394 CD PRO A 23 13.736 6.750 1.372 1.00 0.00 C ATOM 0 HA PRO A 23 10.744 5.856 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.736 8.667 2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.291 7.446 3.637 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.940 7.980 3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.431 6.336 3.506 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.211 7.568 0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.441 5.919 1.375 1.00 0.00 H new ATOM 402 N MET A 24 9.021 7.533 1.108 1.00 0.00 N ATOM 403 CA MET A 24 8.015 8.287 0.311 1.00 0.00 C ATOM 404 C MET A 24 6.705 8.403 1.092 1.00 0.00 C ATOM 405 O MET A 24 6.481 7.701 2.061 1.00 0.00 O ATOM 406 CB MET A 24 7.764 7.553 -1.013 1.00 0.00 C ATOM 407 CG MET A 24 6.758 6.414 -0.821 1.00 0.00 C ATOM 408 SD MET A 24 5.206 6.843 -1.643 1.00 0.00 S ATOM 409 CE MET A 24 5.498 5.927 -3.177 1.00 0.00 C ATOM 0 H MET A 24 8.655 7.056 1.932 1.00 0.00 H new ATOM 0 HA MET A 24 8.394 9.289 0.109 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.388 8.255 -1.757 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.703 7.154 -1.397 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.157 5.487 -1.233 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.585 6.242 0.241 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.052 6.466 -4.013 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.571 5.826 -3.342 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.048 4.937 -3.101 1.00 0.00 H new ATOM 419 N TRP A 25 5.826 9.265 0.661 1.00 0.00 N ATOM 420 CA TRP A 25 4.523 9.401 1.360 1.00 0.00 C ATOM 421 C TRP A 25 3.536 8.444 0.724 1.00 0.00 C ATOM 422 O TRP A 25 3.562 8.207 -0.467 1.00 0.00 O ATOM 423 CB TRP A 25 3.995 10.829 1.232 1.00 0.00 C ATOM 424 CG TRP A 25 2.855 11.024 2.182 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.552 11.123 1.830 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.898 11.141 3.631 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.793 11.300 2.975 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.579 11.319 4.111 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.948 11.113 4.565 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.313 11.466 5.474 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.686 11.257 5.937 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.369 11.436 6.391 1.00 0.00 C ATOM 0 H TRP A 25 5.956 9.879 -0.143 1.00 0.00 H new ATOM 0 HA TRP A 25 4.653 9.172 2.418 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.790 11.543 1.448 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.667 11.017 0.210 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.167 11.072 0.822 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.222 11.404 2.979 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.964 10.980 4.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.298 11.602 5.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.500 11.230 6.646 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.172 11.550 7.447 1.00 0.00 H new ATOM 443 N VAL A 26 2.678 7.873 1.506 1.00 0.00 N ATOM 444 CA VAL A 26 1.710 6.910 0.932 1.00 0.00 C ATOM 445 C VAL A 26 0.417 6.918 1.752 1.00 0.00 C ATOM 446 O VAL A 26 0.441 6.967 2.963 1.00 0.00 O ATOM 447 CB VAL A 26 2.359 5.527 0.943 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.185 5.366 2.214 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.287 4.434 0.874 1.00 0.00 C ATOM 0 H VAL A 26 2.603 8.028 2.511 1.00 0.00 H new ATOM 0 HA VAL A 26 1.453 7.185 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 26 3.008 5.431 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.649 4.380 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.960 6.132 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.537 5.471 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.765 3.454 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.623 4.521 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.710 4.548 -0.044 1.00 0.00 H new ATOM 459 N VAL A 27 -0.712 6.871 1.094 1.00 0.00 N ATOM 460 CA VAL A 27 -2.008 6.878 1.831 1.00 0.00 C ATOM 461 C VAL A 27 -2.853 5.679 1.395 1.00 0.00 C ATOM 462 O VAL A 27 -3.196 5.533 0.236 1.00 0.00 O ATOM 463 CB VAL A 27 -2.772 8.167 1.522 1.00 0.00 C ATOM 464 CG1 VAL A 27 -2.118 9.340 2.254 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.741 8.427 0.016 1.00 0.00 C ATOM 0 H VAL A 27 -0.791 6.828 0.078 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.809 6.819 2.901 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.805 8.064 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.664 10.257 2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.139 9.156 3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.084 9.444 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.285 9.345 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.707 8.529 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.209 7.593 -0.507 1.00 0.00 H new ATOM 475 N LEU A 28 -3.196 4.823 2.319 1.00 0.00 N ATOM 476 CA LEU A 28 -4.026 3.635 1.968 1.00 0.00 C ATOM 477 C LEU A 28 -5.490 4.057 1.839 1.00 0.00 C ATOM 478 O LEU A 28 -6.087 4.548 2.776 1.00 0.00 O ATOM 479 CB LEU A 28 -3.910 2.580 3.072 1.00 0.00 C ATOM 480 CG LEU A 28 -2.514 2.622 3.681 1.00 0.00 C ATOM 481 CD1 LEU A 28 -2.312 1.404 4.584 1.00 0.00 C ATOM 482 CD2 LEU A 28 -1.485 2.600 2.552 1.00 0.00 C ATOM 0 H LEU A 28 -2.937 4.895 3.303 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.674 3.219 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.659 2.763 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.109 1.589 2.663 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.394 3.529 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.313 1.435 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.055 1.415 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.423 0.493 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.481 2.630 2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.606 1.688 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.633 3.467 1.908 1.00 0.00 H new ATOM 494 N LEU A 29 -6.078 3.860 0.693 1.00 0.00 N ATOM 495 CA LEU A 29 -7.507 4.241 0.519 1.00 0.00 C ATOM 496 C LEU A 29 -8.333 2.976 0.271 1.00 0.00 C ATOM 497 O LEU A 29 -7.815 1.953 -0.130 1.00 0.00 O ATOM 498 CB LEU A 29 -7.646 5.200 -0.666 1.00 0.00 C ATOM 499 CG LEU A 29 -6.687 6.379 -0.480 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.405 6.117 -1.263 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.340 7.661 -1.001 1.00 0.00 C ATOM 0 H LEU A 29 -5.632 3.453 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.868 4.741 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.424 4.679 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.672 5.560 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.456 6.492 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.721 6.955 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.935 5.204 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.642 6.004 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.655 8.498 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.571 7.547 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.259 7.852 -0.447 1.00 0.00 H new ATOM 513 N GLU A 30 -9.612 3.035 0.517 1.00 0.00 N ATOM 514 CA GLU A 30 -10.470 1.833 0.309 1.00 0.00 C ATOM 515 C GLU A 30 -10.664 1.587 -1.186 1.00 0.00 C ATOM 516 O GLU A 30 -11.178 0.565 -1.594 1.00 0.00 O ATOM 517 CB GLU A 30 -11.831 2.060 0.970 1.00 0.00 C ATOM 518 CG GLU A 30 -12.630 3.083 0.159 1.00 0.00 C ATOM 519 CD GLU A 30 -13.659 3.762 1.066 1.00 0.00 C ATOM 520 OE1 GLU A 30 -14.545 3.071 1.543 1.00 0.00 O ATOM 521 OE2 GLU A 30 -13.544 4.959 1.267 1.00 0.00 O ATOM 0 H GLU A 30 -10.102 3.864 0.853 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.987 0.964 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.379 1.120 1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.696 2.416 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.959 3.828 -0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.132 2.591 -0.674 1.00 0.00 H new ATOM 528 N ASP A 31 -10.255 2.510 -2.009 1.00 0.00 N ATOM 529 CA ASP A 31 -10.419 2.315 -3.474 1.00 0.00 C ATOM 530 C ASP A 31 -9.055 2.044 -4.108 1.00 0.00 C ATOM 531 O ASP A 31 -8.949 1.789 -5.291 1.00 0.00 O ATOM 532 CB ASP A 31 -11.033 3.571 -4.096 1.00 0.00 C ATOM 533 CG ASP A 31 -10.051 4.737 -3.970 1.00 0.00 C ATOM 534 OD1 ASP A 31 -8.935 4.600 -4.444 1.00 0.00 O ATOM 535 OD2 ASP A 31 -10.432 5.747 -3.402 1.00 0.00 O ATOM 0 H ASP A 31 -9.816 3.388 -1.732 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.078 1.466 -3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.268 3.392 -5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.970 3.816 -3.596 1.00 0.00 H new ATOM 540 N GLY A 32 -8.006 2.092 -3.332 1.00 0.00 N ATOM 541 CA GLY A 32 -6.654 1.831 -3.902 1.00 0.00 C ATOM 542 C GLY A 32 -5.590 2.560 -3.083 1.00 0.00 C ATOM 543 O GLY A 32 -5.860 3.549 -2.431 1.00 0.00 O ATOM 0 H GLY A 32 -8.026 2.299 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.452 0.760 -3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.617 2.164 -4.939 1.00 0.00 H new ATOM 547 N ILE A 33 -4.378 2.079 -3.116 1.00 0.00 N ATOM 548 CA ILE A 33 -3.290 2.739 -2.346 1.00 0.00 C ATOM 549 C ILE A 33 -2.629 3.805 -3.220 1.00 0.00 C ATOM 550 O ILE A 33 -1.897 3.506 -4.143 1.00 0.00 O ATOM 551 CB ILE A 33 -2.250 1.693 -1.939 1.00 0.00 C ATOM 552 CG1 ILE A 33 -2.884 0.702 -0.959 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.061 2.384 -1.269 1.00 0.00 C ATOM 554 CD1 ILE A 33 -3.287 -0.569 -1.710 1.00 0.00 C ATOM 0 H ILE A 33 -4.095 1.254 -3.645 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.703 3.206 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.905 1.160 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.180 0.459 -0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.758 1.150 -0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.322 1.637 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.610 3.090 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.403 2.918 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.739 -1.275 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.006 -0.318 -2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.404 -1.020 -2.162 1.00 0.00 H new ATOM 566 N GLU A 34 -2.881 5.049 -2.929 1.00 0.00 N ATOM 567 CA GLU A 34 -2.274 6.151 -3.726 1.00 0.00 C ATOM 568 C GLU A 34 -1.149 6.767 -2.895 1.00 0.00 C ATOM 569 O GLU A 34 -1.377 7.282 -1.820 1.00 0.00 O ATOM 570 CB GLU A 34 -3.358 7.199 -4.039 1.00 0.00 C ATOM 571 CG GLU A 34 -2.744 8.597 -4.191 1.00 0.00 C ATOM 572 CD GLU A 34 -1.485 8.520 -5.056 1.00 0.00 C ATOM 573 OE1 GLU A 34 -1.612 8.204 -6.227 1.00 0.00 O ATOM 574 OE2 GLU A 34 -0.414 8.783 -4.534 1.00 0.00 O ATOM 0 H GLU A 34 -3.487 5.353 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.870 5.781 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.879 6.925 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.101 7.209 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.467 9.274 -4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.498 9.005 -3.210 1.00 0.00 H new ATOM 581 N PHE A 35 0.064 6.704 -3.364 1.00 0.00 N ATOM 582 CA PHE A 35 1.178 7.273 -2.560 1.00 0.00 C ATOM 583 C PHE A 35 1.975 8.286 -3.383 1.00 0.00 C ATOM 584 O PHE A 35 2.122 8.159 -4.582 1.00 0.00 O ATOM 585 CB PHE A 35 2.095 6.140 -2.101 1.00 0.00 C ATOM 586 CG PHE A 35 2.265 5.136 -3.214 1.00 0.00 C ATOM 587 CD1 PHE A 35 2.967 5.490 -4.375 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.724 3.850 -3.089 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.126 4.559 -5.409 1.00 0.00 C ATOM 590 CE2 PHE A 35 1.882 2.918 -4.122 1.00 0.00 C ATOM 591 CZ PHE A 35 2.584 3.273 -5.283 1.00 0.00 C ATOM 0 H PHE A 35 0.330 6.289 -4.257 1.00 0.00 H new ATOM 0 HA PHE A 35 0.764 7.787 -1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.066 6.541 -1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.674 5.653 -1.221 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.385 6.481 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.184 3.577 -2.194 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.666 4.832 -6.303 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.464 1.927 -4.025 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.707 2.555 -6.080 1.00 0.00 H new ATOM 601 N TYR A 36 2.501 9.288 -2.731 1.00 0.00 N ATOM 602 CA TYR A 36 3.305 10.319 -3.443 1.00 0.00 C ATOM 603 C TYR A 36 4.686 10.394 -2.791 1.00 0.00 C ATOM 604 O TYR A 36 5.123 9.470 -2.133 1.00 0.00 O ATOM 605 CB TYR A 36 2.630 11.691 -3.323 1.00 0.00 C ATOM 606 CG TYR A 36 1.126 11.544 -3.334 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.466 10.945 -2.252 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.387 12.018 -4.426 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.930 10.820 -2.265 1.00 0.00 C ATOM 610 CE2 TYR A 36 -1.008 11.892 -4.440 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.666 11.294 -3.360 1.00 0.00 C ATOM 612 OH TYR A 36 -3.040 11.171 -3.373 1.00 0.00 O ATOM 0 H TYR A 36 2.406 9.436 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 36 3.387 10.050 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.947 12.179 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.945 12.331 -4.147 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.033 10.580 -1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.894 12.482 -5.259 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.439 10.359 -1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.575 12.256 -5.284 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.395 11.551 -4.204 1.00 0.00 H new ATOM 622 N LYS A 37 5.369 11.492 -2.948 1.00 0.00 N ATOM 623 CA LYS A 37 6.710 11.628 -2.316 1.00 0.00 C ATOM 624 C LYS A 37 6.539 12.313 -0.959 1.00 0.00 C ATOM 625 O LYS A 37 7.115 11.910 0.032 1.00 0.00 O ATOM 626 CB LYS A 37 7.619 12.476 -3.210 1.00 0.00 C ATOM 627 CG LYS A 37 8.918 11.717 -3.484 1.00 0.00 C ATOM 628 CD LYS A 37 10.098 12.690 -3.424 1.00 0.00 C ATOM 629 CE LYS A 37 11.300 12.086 -4.155 1.00 0.00 C ATOM 630 NZ LYS A 37 12.547 12.763 -3.701 1.00 0.00 N ATOM 0 H LYS A 37 5.057 12.301 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 37 7.162 10.645 -2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.114 12.704 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.837 13.428 -2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.050 10.923 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.874 11.241 -4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.822 13.641 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.358 12.898 -2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.361 11.016 -3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.181 12.203 -5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.364 12.354 -4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.487 13.779 -3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.661 12.629 -2.676 1.00 0.00 H new ATOM 644 N LYS A 38 5.734 13.340 -0.907 1.00 0.00 N ATOM 645 CA LYS A 38 5.498 14.047 0.381 1.00 0.00 C ATOM 646 C LYS A 38 4.053 13.796 0.812 1.00 0.00 C ATOM 647 O LYS A 38 3.331 13.065 0.167 1.00 0.00 O ATOM 648 CB LYS A 38 5.727 15.549 0.192 1.00 0.00 C ATOM 649 CG LYS A 38 7.209 15.869 0.385 1.00 0.00 C ATOM 650 CD LYS A 38 7.981 15.502 -0.885 1.00 0.00 C ATOM 651 CE LYS A 38 8.817 16.700 -1.338 1.00 0.00 C ATOM 652 NZ LYS A 38 10.080 16.216 -1.964 1.00 0.00 N ATOM 0 H LYS A 38 5.228 13.720 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 38 6.185 13.679 1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.405 15.854 -0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.127 16.112 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.337 16.928 0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.604 15.314 1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.627 14.645 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.287 15.210 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.253 17.302 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.043 17.342 -0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.649 17.030 -2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.620 15.659 -1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.854 15.621 -2.786 1.00 0.00 H new ATOM 666 N LYS A 39 3.616 14.391 1.890 1.00 0.00 N ATOM 667 CA LYS A 39 2.212 14.164 2.332 1.00 0.00 C ATOM 668 C LYS A 39 1.279 14.260 1.120 1.00 0.00 C ATOM 669 O LYS A 39 0.208 13.686 1.104 1.00 0.00 O ATOM 670 CB LYS A 39 1.825 15.205 3.391 1.00 0.00 C ATOM 671 CG LYS A 39 0.297 15.324 3.479 1.00 0.00 C ATOM 672 CD LYS A 39 -0.102 15.806 4.873 1.00 0.00 C ATOM 673 CE LYS A 39 0.591 14.934 5.917 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.367 14.600 7.009 1.00 0.00 N ATOM 0 H LYS A 39 4.165 15.018 2.478 1.00 0.00 H new ATOM 0 HA LYS A 39 2.121 13.172 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.232 14.918 4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.259 16.172 3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.067 16.021 2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.165 14.359 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.182 16.850 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.184 15.752 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.962 14.020 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.455 15.457 6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.108 14.006 7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.700 15.477 7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.179 14.084 6.613 1.00 0.00 H new ATOM 688 N SER A 40 1.679 14.973 0.101 1.00 0.00 N ATOM 689 CA SER A 40 0.815 15.091 -1.107 1.00 0.00 C ATOM 690 C SER A 40 1.692 15.276 -2.348 1.00 0.00 C ATOM 691 O SER A 40 1.532 14.589 -3.338 1.00 0.00 O ATOM 692 CB SER A 40 -0.111 16.300 -0.961 1.00 0.00 C ATOM 693 OG SER A 40 -0.387 16.516 0.417 1.00 0.00 O ATOM 0 H SER A 40 2.564 15.477 0.054 1.00 0.00 H new ATOM 0 HA SER A 40 0.218 14.185 -1.211 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.356 17.185 -1.393 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.039 16.130 -1.507 1.00 0.00 H new ATOM 0 HG SER A 40 -0.979 17.291 0.515 1.00 0.00 H new ATOM 699 N ASP A 41 2.610 16.204 -2.307 1.00 0.00 N ATOM 700 CA ASP A 41 3.490 16.439 -3.485 1.00 0.00 C ATOM 701 C ASP A 41 2.633 16.851 -4.684 1.00 0.00 C ATOM 702 O ASP A 41 3.099 16.909 -5.806 1.00 0.00 O ATOM 703 CB ASP A 41 4.254 15.149 -3.789 1.00 0.00 C ATOM 704 CG ASP A 41 4.872 15.217 -5.187 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.389 16.266 -5.534 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.816 14.220 -5.887 1.00 0.00 O ATOM 0 H ASP A 41 2.788 16.810 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 41 4.201 17.238 -3.276 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.036 14.997 -3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.580 14.295 -3.723 1.00 0.00 H new ATOM 711 N ASN A 42 1.380 17.139 -4.457 1.00 0.00 N ATOM 712 CA ASN A 42 0.486 17.543 -5.577 1.00 0.00 C ATOM 713 C ASN A 42 0.759 16.662 -6.801 1.00 0.00 C ATOM 714 O ASN A 42 0.491 17.048 -7.921 1.00 0.00 O ATOM 715 CB ASN A 42 0.745 19.008 -5.937 1.00 0.00 C ATOM 716 CG ASN A 42 0.275 19.908 -4.793 1.00 0.00 C ATOM 717 OD1 ASN A 42 -0.707 20.611 -4.922 1.00 0.00 O ATOM 718 ND2 ASN A 42 0.941 19.917 -3.670 1.00 0.00 N ATOM 0 H ASN A 42 0.936 17.111 -3.539 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.552 17.421 -5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.807 19.165 -6.124 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.218 19.266 -6.856 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.637 20.514 -2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.766 19.327 -3.561 1.00 0.00 H new ATOM 725 N SER A 43 1.290 15.483 -6.601 1.00 0.00 N ATOM 726 CA SER A 43 1.571 14.597 -7.766 1.00 0.00 C ATOM 727 C SER A 43 1.803 13.159 -7.283 1.00 0.00 C ATOM 728 O SER A 43 2.763 12.895 -6.587 1.00 0.00 O ATOM 729 CB SER A 43 2.824 15.094 -8.489 1.00 0.00 C ATOM 730 OG SER A 43 2.709 14.812 -9.877 1.00 0.00 O ATOM 0 H SER A 43 1.539 15.100 -5.689 1.00 0.00 H new ATOM 0 HA SER A 43 0.719 14.616 -8.446 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.947 16.166 -8.333 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.710 14.609 -8.080 1.00 0.00 H new ATOM 0 HG SER A 43 3.510 15.131 -10.343 1.00 0.00 H new ATOM 736 N PRO A 44 0.921 12.265 -7.669 1.00 0.00 N ATOM 737 CA PRO A 44 1.026 10.865 -7.284 1.00 0.00 C ATOM 738 C PRO A 44 2.184 10.195 -8.019 1.00 0.00 C ATOM 739 O PRO A 44 2.360 10.356 -9.210 1.00 0.00 O ATOM 740 CB PRO A 44 -0.307 10.251 -7.701 1.00 0.00 C ATOM 741 CG PRO A 44 -0.789 11.183 -8.856 1.00 0.00 C ATOM 742 CD PRO A 44 -0.239 12.596 -8.512 1.00 0.00 C ATOM 0 HA PRO A 44 1.222 10.739 -6.219 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.187 9.222 -8.039 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.018 10.235 -6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.412 10.840 -9.819 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.877 11.192 -8.924 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.048 13.152 -9.404 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.972 13.203 -7.980 1.00 0.00 H new ATOM 750 N LYS A 45 2.971 9.440 -7.309 1.00 0.00 N ATOM 751 CA LYS A 45 4.119 8.749 -7.948 1.00 0.00 C ATOM 752 C LYS A 45 3.650 7.376 -8.446 1.00 0.00 C ATOM 753 O LYS A 45 4.261 6.773 -9.304 1.00 0.00 O ATOM 754 CB LYS A 45 5.255 8.616 -6.912 1.00 0.00 C ATOM 755 CG LYS A 45 5.894 7.224 -6.970 1.00 0.00 C ATOM 756 CD LYS A 45 7.333 7.297 -6.454 1.00 0.00 C ATOM 757 CE LYS A 45 7.910 5.884 -6.350 1.00 0.00 C ATOM 758 NZ LYS A 45 8.616 5.731 -5.047 1.00 0.00 N ATOM 0 H LYS A 45 2.867 9.272 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 45 4.495 9.315 -8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.014 9.376 -7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.862 8.798 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.316 6.522 -6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.883 6.850 -7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.942 7.901 -7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.357 7.784 -5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.112 5.147 -6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.600 5.700 -7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.643 5.789 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.319 6.489 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.380 4.808 -4.630 1.00 0.00 H new ATOM 772 N GLY A 46 2.564 6.880 -7.914 1.00 0.00 N ATOM 773 CA GLY A 46 2.059 5.552 -8.362 1.00 0.00 C ATOM 774 C GLY A 46 0.964 5.061 -7.413 1.00 0.00 C ATOM 775 O GLY A 46 0.879 5.476 -6.270 1.00 0.00 O ATOM 0 H GLY A 46 2.008 7.336 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.666 5.626 -9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.878 4.833 -8.389 1.00 0.00 H new ATOM 779 N MET A 47 0.126 4.175 -7.879 1.00 0.00 N ATOM 780 CA MET A 47 -0.964 3.643 -7.015 1.00 0.00 C ATOM 781 C MET A 47 -1.006 2.122 -7.140 1.00 0.00 C ATOM 782 O MET A 47 -0.366 1.540 -7.994 1.00 0.00 O ATOM 783 CB MET A 47 -2.311 4.217 -7.466 1.00 0.00 C ATOM 784 CG MET A 47 -2.127 5.671 -7.903 1.00 0.00 C ATOM 785 SD MET A 47 -3.587 6.216 -8.825 1.00 0.00 S ATOM 786 CE MET A 47 -2.779 7.527 -9.775 1.00 0.00 C ATOM 0 H MET A 47 0.151 3.796 -8.826 1.00 0.00 H new ATOM 0 HA MET A 47 -0.775 3.929 -5.980 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.712 3.627 -8.290 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.033 4.160 -6.652 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.976 6.307 -7.031 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.236 5.765 -8.524 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.510 8.008 -10.425 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.359 8.265 -9.092 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.981 7.098 -10.381 1.00 0.00 H new ATOM 796 N ILE A 48 -1.762 1.473 -6.302 1.00 0.00 N ATOM 797 CA ILE A 48 -1.859 -0.009 -6.376 1.00 0.00 C ATOM 798 C ILE A 48 -3.327 -0.409 -6.210 1.00 0.00 C ATOM 799 O ILE A 48 -3.967 0.000 -5.263 1.00 0.00 O ATOM 800 CB ILE A 48 -1.028 -0.633 -5.253 1.00 0.00 C ATOM 801 CG1 ILE A 48 0.399 -0.083 -5.313 1.00 0.00 C ATOM 802 CG2 ILE A 48 -0.994 -2.153 -5.424 1.00 0.00 C ATOM 803 CD1 ILE A 48 1.199 -0.608 -4.119 1.00 0.00 C ATOM 0 H ILE A 48 -2.319 1.907 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.482 -0.361 -7.336 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.476 -0.387 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.877 -0.384 -6.245 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.381 1.007 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.402 -2.596 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.010 -2.546 -5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.546 -2.401 -6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.215 -0.216 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.724 -0.285 -3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.228 -1.697 -4.151 1.00 0.00 H new ATOM 815 N PRO A 49 -3.830 -1.192 -7.129 1.00 0.00 N ATOM 816 CA PRO A 49 -5.215 -1.627 -7.073 1.00 0.00 C ATOM 817 C PRO A 49 -5.413 -2.567 -5.882 1.00 0.00 C ATOM 818 O PRO A 49 -4.725 -3.557 -5.740 1.00 0.00 O ATOM 819 CB PRO A 49 -5.445 -2.355 -8.394 1.00 0.00 C ATOM 820 CG PRO A 49 -4.011 -2.795 -8.824 1.00 0.00 C ATOM 821 CD PRO A 49 -3.057 -1.697 -8.272 1.00 0.00 C ATOM 0 HA PRO A 49 -5.916 -0.802 -6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.107 -3.212 -8.270 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.904 -1.703 -9.137 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.761 -3.774 -8.415 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.933 -2.874 -9.908 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.093 -2.105 -7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.856 -0.919 -9.008 1.00 0.00 H new ATOM 829 N LEU A 50 -6.339 -2.258 -5.014 1.00 0.00 N ATOM 830 CA LEU A 50 -6.560 -3.132 -3.828 1.00 0.00 C ATOM 831 C LEU A 50 -7.581 -4.222 -4.168 1.00 0.00 C ATOM 832 O LEU A 50 -8.226 -4.775 -3.299 1.00 0.00 O ATOM 833 CB LEU A 50 -7.041 -2.279 -2.642 1.00 0.00 C ATOM 834 CG LEU A 50 -8.550 -2.008 -2.721 1.00 0.00 C ATOM 835 CD1 LEU A 50 -9.064 -1.645 -1.327 1.00 0.00 C ATOM 836 CD2 LEU A 50 -8.817 -0.841 -3.673 1.00 0.00 C ATOM 0 H LEU A 50 -6.948 -1.442 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.624 -3.616 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.810 -2.790 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.500 -1.333 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.060 -2.898 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.136 -1.451 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.875 -2.472 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.549 -0.753 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.889 -0.652 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.309 0.051 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.443 -1.089 -4.666 1.00 0.00 H new ATOM 848 N LYS A 51 -7.727 -4.539 -5.426 1.00 0.00 N ATOM 849 CA LYS A 51 -8.702 -5.592 -5.823 1.00 0.00 C ATOM 850 C LYS A 51 -8.036 -6.970 -5.756 1.00 0.00 C ATOM 851 O LYS A 51 -8.398 -7.805 -4.950 1.00 0.00 O ATOM 852 CB LYS A 51 -9.176 -5.327 -7.253 1.00 0.00 C ATOM 853 CG LYS A 51 -10.697 -5.466 -7.320 1.00 0.00 C ATOM 854 CD LYS A 51 -11.251 -4.500 -8.370 1.00 0.00 C ATOM 855 CE LYS A 51 -11.795 -5.295 -9.559 1.00 0.00 C ATOM 856 NZ LYS A 51 -13.219 -4.922 -9.794 1.00 0.00 N ATOM 0 H LYS A 51 -7.212 -4.113 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.553 -5.571 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.877 -4.327 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.705 -6.030 -7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.969 -6.491 -7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.136 -5.252 -6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.042 -3.888 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.467 -3.819 -8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.202 -5.089 -10.450 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.715 -6.364 -9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.485 -5.164 -10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.828 -5.442 -9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.339 -3.900 -9.646 1.00 0.00 H new ATOM 870 N GLY A 52 -7.073 -7.219 -6.602 1.00 0.00 N ATOM 871 CA GLY A 52 -6.394 -8.547 -6.588 1.00 0.00 C ATOM 872 C GLY A 52 -5.049 -8.438 -5.867 1.00 0.00 C ATOM 873 O GLY A 52 -4.340 -9.413 -5.713 1.00 0.00 O ATOM 0 H GLY A 52 -6.727 -6.562 -7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.025 -9.282 -6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.242 -8.898 -7.609 1.00 0.00 H new ATOM 877 N SER A 53 -4.689 -7.259 -5.434 1.00 0.00 N ATOM 878 CA SER A 53 -3.383 -7.077 -4.731 1.00 0.00 C ATOM 879 C SER A 53 -3.108 -8.253 -3.803 1.00 0.00 C ATOM 880 O SER A 53 -4.004 -8.849 -3.240 1.00 0.00 O ATOM 881 CB SER A 53 -3.423 -5.792 -3.905 1.00 0.00 C ATOM 882 OG SER A 53 -4.770 -5.499 -3.561 1.00 0.00 O ATOM 0 H SER A 53 -5.245 -6.410 -5.537 1.00 0.00 H new ATOM 0 HA SER A 53 -2.592 -7.019 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.822 -5.906 -3.003 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.992 -4.967 -4.473 1.00 0.00 H new ATOM 0 HG SER A 53 -5.312 -6.311 -3.642 1.00 0.00 H new ATOM 888 N THR A 54 -1.859 -8.573 -3.635 1.00 0.00 N ATOM 889 CA THR A 54 -1.480 -9.691 -2.739 1.00 0.00 C ATOM 890 C THR A 54 -0.602 -9.114 -1.625 1.00 0.00 C ATOM 891 O THR A 54 0.014 -8.085 -1.796 1.00 0.00 O ATOM 892 CB THR A 54 -0.722 -10.758 -3.557 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.161 -12.049 -3.162 1.00 0.00 O ATOM 894 CG2 THR A 54 0.791 -10.648 -3.337 1.00 0.00 C ATOM 0 H THR A 54 -1.076 -8.100 -4.087 1.00 0.00 H new ATOM 0 HA THR A 54 -2.356 -10.167 -2.298 1.00 0.00 H new ATOM 0 HB THR A 54 -0.929 -10.595 -4.615 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.683 -12.730 -3.680 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.301 -11.411 -3.925 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.133 -9.661 -3.649 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.017 -10.793 -2.281 1.00 0.00 H new ATOM 902 N LEU A 55 -0.536 -9.752 -0.495 1.00 0.00 N ATOM 903 CA LEU A 55 0.311 -9.205 0.600 1.00 0.00 C ATOM 904 C LEU A 55 1.310 -10.273 1.048 1.00 0.00 C ATOM 905 O LEU A 55 0.949 -11.405 1.304 1.00 0.00 O ATOM 906 CB LEU A 55 -0.584 -8.805 1.779 1.00 0.00 C ATOM 907 CG LEU A 55 0.207 -7.966 2.790 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.130 -8.874 3.603 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.045 -6.919 2.055 1.00 0.00 C ATOM 0 H LEU A 55 -1.026 -10.621 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 55 0.854 -8.329 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.441 -8.237 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.976 -9.698 2.266 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.492 -7.464 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.691 -8.275 4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.534 -9.615 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.824 -9.381 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.604 -6.327 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.740 -7.418 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.388 -6.265 1.481 1.00 0.00 H new ATOM 921 N THR A 56 2.566 -9.928 1.141 1.00 0.00 N ATOM 922 CA THR A 56 3.579 -10.933 1.568 1.00 0.00 C ATOM 923 C THR A 56 4.301 -10.437 2.822 1.00 0.00 C ATOM 924 O THR A 56 4.879 -9.369 2.839 1.00 0.00 O ATOM 925 CB THR A 56 4.597 -11.139 0.443 1.00 0.00 C ATOM 926 OG1 THR A 56 3.933 -11.652 -0.704 1.00 0.00 O ATOM 927 CG2 THR A 56 5.670 -12.128 0.899 1.00 0.00 C ATOM 0 H THR A 56 2.932 -8.997 0.940 1.00 0.00 H new ATOM 0 HA THR A 56 3.080 -11.877 1.788 1.00 0.00 H new ATOM 0 HB THR A 56 5.066 -10.187 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.494 -12.334 -1.129 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.394 -12.274 0.098 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.178 -11.734 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.204 -13.082 1.146 1.00 0.00 H new ATOM 935 N SER A 57 4.274 -11.206 3.876 1.00 0.00 N ATOM 936 CA SER A 57 4.962 -10.778 5.126 1.00 0.00 C ATOM 937 C SER A 57 5.431 -12.016 5.902 1.00 0.00 C ATOM 938 O SER A 57 4.628 -12.838 6.296 1.00 0.00 O ATOM 939 CB SER A 57 3.992 -9.973 5.990 1.00 0.00 C ATOM 940 OG SER A 57 4.478 -8.643 6.126 1.00 0.00 O ATOM 0 H SER A 57 3.806 -12.111 3.925 1.00 0.00 H new ATOM 0 HA SER A 57 5.824 -10.160 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.001 -9.966 5.535 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.889 -10.437 6.971 1.00 0.00 H new ATOM 0 HG SER A 57 3.950 -8.169 6.802 1.00 0.00 H new ATOM 946 N PRO A 58 6.724 -12.107 6.103 1.00 0.00 N ATOM 947 CA PRO A 58 7.666 -11.109 5.622 1.00 0.00 C ATOM 948 C PRO A 58 7.847 -11.236 4.104 1.00 0.00 C ATOM 949 O PRO A 58 7.186 -12.022 3.455 1.00 0.00 O ATOM 950 CB PRO A 58 8.959 -11.428 6.336 1.00 0.00 C ATOM 951 CG PRO A 58 8.841 -12.955 6.644 1.00 0.00 C ATOM 952 CD PRO A 58 7.322 -13.229 6.839 1.00 0.00 C ATOM 0 HA PRO A 58 7.328 -10.091 5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.826 -11.211 5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.068 -10.842 7.249 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.245 -13.552 5.826 1.00 0.00 H new ATOM 0 HG3 PRO A 58 9.404 -13.219 7.539 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.023 -14.194 6.429 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.037 -13.228 7.891 1.00 0.00 H new ATOM 960 N CYS A 59 8.739 -10.469 3.539 1.00 0.00 N ATOM 961 CA CYS A 59 8.965 -10.545 2.066 1.00 0.00 C ATOM 962 C CYS A 59 10.247 -11.331 1.784 1.00 0.00 C ATOM 963 O CYS A 59 11.009 -11.637 2.680 1.00 0.00 O ATOM 964 CB CYS A 59 9.099 -9.131 1.497 1.00 0.00 C ATOM 965 SG CYS A 59 10.023 -9.192 -0.058 1.00 0.00 S ATOM 0 H CYS A 59 9.321 -9.793 4.033 1.00 0.00 H new ATOM 0 HA CYS A 59 8.120 -11.048 1.596 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.112 -8.700 1.329 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.611 -8.487 2.212 1.00 0.00 H new ATOM 0 HG CYS A 59 9.305 -9.783 -0.966 1.00 0.00 H new ATOM 971 N GLN A 60 10.491 -11.663 0.545 1.00 0.00 N ATOM 972 CA GLN A 60 11.723 -12.431 0.206 1.00 0.00 C ATOM 973 C GLN A 60 12.715 -11.515 -0.513 1.00 0.00 C ATOM 974 O GLN A 60 12.357 -10.793 -1.421 1.00 0.00 O ATOM 975 CB GLN A 60 11.359 -13.606 -0.705 1.00 0.00 C ATOM 976 CG GLN A 60 11.385 -14.905 0.101 1.00 0.00 C ATOM 977 CD GLN A 60 11.711 -16.076 -0.827 1.00 0.00 C ATOM 978 OE1 GLN A 60 10.862 -16.539 -1.563 1.00 0.00 O ATOM 979 NE2 GLN A 60 12.916 -16.579 -0.826 1.00 0.00 N ATOM 0 H GLN A 60 9.890 -11.435 -0.247 1.00 0.00 H new ATOM 0 HA GLN A 60 12.177 -12.810 1.122 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.369 -13.453 -1.136 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.062 -13.667 -1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.129 -14.838 0.894 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.420 -15.066 0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.630 -16.192 -0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.143 -17.359 -1.442 1.00 0.00 H new ATOM 988 N ASP A 61 13.960 -11.546 -0.105 1.00 0.00 N ATOM 989 CA ASP A 61 14.998 -10.684 -0.746 1.00 0.00 C ATOM 990 C ASP A 61 14.961 -9.289 -0.116 1.00 0.00 C ATOM 991 O ASP A 61 15.976 -8.755 0.290 1.00 0.00 O ATOM 992 CB ASP A 61 14.738 -10.577 -2.251 1.00 0.00 C ATOM 993 CG ASP A 61 16.067 -10.407 -2.988 1.00 0.00 C ATOM 994 OD1 ASP A 61 16.867 -9.597 -2.548 1.00 0.00 O ATOM 995 OD2 ASP A 61 16.264 -11.088 -3.980 1.00 0.00 O ATOM 0 H ASP A 61 14.303 -12.138 0.652 1.00 0.00 H new ATOM 0 HA ASP A 61 15.980 -11.130 -0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.225 -11.470 -2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.084 -9.730 -2.458 1.00 0.00 H new ATOM 1000 N PHE A 62 13.802 -8.700 -0.018 1.00 0.00 N ATOM 1001 CA PHE A 62 13.705 -7.348 0.599 1.00 0.00 C ATOM 1002 C PHE A 62 13.220 -7.500 2.040 1.00 0.00 C ATOM 1003 O PHE A 62 13.588 -6.743 2.916 1.00 0.00 O ATOM 1004 CB PHE A 62 12.716 -6.489 -0.192 1.00 0.00 C ATOM 1005 CG PHE A 62 13.448 -5.773 -1.303 1.00 0.00 C ATOM 1006 CD1 PHE A 62 14.598 -5.026 -1.018 1.00 0.00 C ATOM 1007 CD2 PHE A 62 12.976 -5.856 -2.620 1.00 0.00 C ATOM 1008 CE1 PHE A 62 15.277 -4.362 -2.049 1.00 0.00 C ATOM 1009 CE2 PHE A 62 13.653 -5.192 -3.650 1.00 0.00 C ATOM 1010 CZ PHE A 62 14.805 -4.444 -3.365 1.00 0.00 C ATOM 0 H PHE A 62 12.918 -9.096 -0.338 1.00 0.00 H new ATOM 0 HA PHE A 62 14.681 -6.863 0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.925 -7.114 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.237 -5.766 0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.962 -4.962 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.090 -6.432 -2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.164 -3.787 -1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.288 -5.256 -4.665 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.327 -3.932 -4.160 1.00 0.00 H new ATOM 1020 N GLY A 63 12.405 -8.489 2.293 1.00 0.00 N ATOM 1021 CA GLY A 63 11.904 -8.708 3.678 1.00 0.00 C ATOM 1022 C GLY A 63 12.937 -9.514 4.466 1.00 0.00 C ATOM 1023 O GLY A 63 12.745 -9.828 5.624 1.00 0.00 O ATOM 0 H GLY A 63 12.065 -9.154 1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.722 -7.751 4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.953 -9.239 3.653 1.00 0.00 H new ATOM 1027 N LYS A 64 14.038 -9.850 3.847 1.00 0.00 N ATOM 1028 CA LYS A 64 15.087 -10.631 4.557 1.00 0.00 C ATOM 1029 C LYS A 64 16.056 -9.667 5.244 1.00 0.00 C ATOM 1030 O LYS A 64 17.191 -10.003 5.520 1.00 0.00 O ATOM 1031 CB LYS A 64 15.850 -11.489 3.544 1.00 0.00 C ATOM 1032 CG LYS A 64 16.720 -12.506 4.285 1.00 0.00 C ATOM 1033 CD LYS A 64 17.020 -13.689 3.362 1.00 0.00 C ATOM 1034 CE LYS A 64 18.397 -14.265 3.699 1.00 0.00 C ATOM 1035 NZ LYS A 64 18.560 -14.330 5.178 1.00 0.00 N ATOM 0 H LYS A 64 14.254 -9.616 2.878 1.00 0.00 H new ATOM 0 HA LYS A 64 14.624 -11.276 5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.149 -12.005 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.472 -10.856 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.650 -12.038 4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.209 -12.852 5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.255 -14.457 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.994 -13.367 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.502 -15.260 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.179 -13.644 3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.239 -15.080 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.913 -13.417 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.642 -14.539 5.620 1.00 0.00 H new ATOM 1049 N ARG A 65 15.618 -8.469 5.519 1.00 0.00 N ATOM 1050 CA ARG A 65 16.513 -7.481 6.185 1.00 0.00 C ATOM 1051 C ARG A 65 15.700 -6.625 7.158 1.00 0.00 C ATOM 1052 O ARG A 65 15.453 -7.013 8.283 1.00 0.00 O ATOM 1053 CB ARG A 65 17.163 -6.591 5.124 1.00 0.00 C ATOM 1054 CG ARG A 65 18.477 -7.225 4.662 1.00 0.00 C ATOM 1055 CD ARG A 65 19.625 -6.727 5.543 1.00 0.00 C ATOM 1056 NE ARG A 65 20.889 -6.717 4.754 1.00 0.00 N ATOM 1057 CZ ARG A 65 21.801 -7.627 4.971 1.00 0.00 C ATOM 1058 NH1 ARG A 65 21.619 -8.847 4.544 1.00 0.00 N ATOM 1059 NH2 ARG A 65 22.894 -7.315 5.612 1.00 0.00 N ATOM 0 H ARG A 65 14.678 -8.131 5.311 1.00 0.00 H new ATOM 0 HA ARG A 65 17.290 -8.007 6.740 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.489 -6.466 4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.350 -5.598 5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.408 -8.311 4.717 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.668 -6.971 3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.406 -5.725 5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.734 -7.371 6.416 1.00 0.00 H new ATOM 0 HE ARG A 65 21.042 -6.000 4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.765 -9.089 4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.331 -9.558 4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 65 23.036 -6.361 5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.606 -8.025 5.782 1.00 0.00 H new ATOM 1073 N MET A 66 15.288 -5.466 6.738 1.00 0.00 N ATOM 1074 CA MET A 66 14.495 -4.581 7.639 1.00 0.00 C ATOM 1075 C MET A 66 13.034 -5.033 7.653 1.00 0.00 C ATOM 1076 O MET A 66 12.720 -6.165 7.342 1.00 0.00 O ATOM 1077 CB MET A 66 14.575 -3.138 7.136 1.00 0.00 C ATOM 1078 CG MET A 66 16.042 -2.724 7.001 1.00 0.00 C ATOM 1079 SD MET A 66 16.355 -2.155 5.312 1.00 0.00 S ATOM 1080 CE MET A 66 16.587 -0.404 5.702 1.00 0.00 C ATOM 0 H MET A 66 15.465 -5.089 5.807 1.00 0.00 H new ATOM 0 HA MET A 66 14.901 -4.640 8.649 1.00 0.00 H new ATOM 0 HB2 MET A 66 14.071 -3.049 6.174 1.00 0.00 H new ATOM 0 HB3 MET A 66 14.060 -2.472 7.828 1.00 0.00 H new ATOM 0 HG2 MET A 66 16.274 -1.931 7.712 1.00 0.00 H new ATOM 0 HG3 MET A 66 16.692 -3.566 7.239 1.00 0.00 H new ATOM 0 HE1 MET A 66 16.796 0.148 4.786 1.00 0.00 H new ATOM 0 HE2 MET A 66 15.681 -0.011 6.164 1.00 0.00 H new ATOM 0 HE3 MET A 66 17.424 -0.293 6.392 1.00 0.00 H new ATOM 1090 N PHE A 67 12.138 -4.156 8.015 1.00 0.00 N ATOM 1091 CA PHE A 67 10.696 -4.530 8.054 1.00 0.00 C ATOM 1092 C PHE A 67 10.014 -4.069 6.764 1.00 0.00 C ATOM 1093 O PHE A 67 9.481 -2.979 6.688 1.00 0.00 O ATOM 1094 CB PHE A 67 10.030 -3.853 9.253 1.00 0.00 C ATOM 1095 CG PHE A 67 10.592 -4.431 10.531 1.00 0.00 C ATOM 1096 CD1 PHE A 67 10.213 -5.716 10.945 1.00 0.00 C ATOM 1097 CD2 PHE A 67 11.490 -3.684 11.303 1.00 0.00 C ATOM 1098 CE1 PHE A 67 10.735 -6.252 12.130 1.00 0.00 C ATOM 1099 CE2 PHE A 67 12.012 -4.219 12.488 1.00 0.00 C ATOM 1100 CZ PHE A 67 11.633 -5.504 12.901 1.00 0.00 C ATOM 0 H PHE A 67 12.343 -3.194 8.286 1.00 0.00 H new ATOM 0 HA PHE A 67 10.602 -5.612 8.147 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.203 -2.777 9.220 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.951 -4.003 9.216 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.519 -6.292 10.351 1.00 0.00 H new ATOM 0 HD2 PHE A 67 11.781 -2.694 10.985 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.445 -7.242 12.449 1.00 0.00 H new ATOM 0 HE2 PHE A 67 12.705 -3.642 13.082 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.034 -5.917 13.815 1.00 0.00 H new ATOM 1110 N VAL A 68 10.031 -4.887 5.748 1.00 0.00 N ATOM 1111 CA VAL A 68 9.391 -4.491 4.463 1.00 0.00 C ATOM 1112 C VAL A 68 8.559 -5.655 3.916 1.00 0.00 C ATOM 1113 O VAL A 68 9.024 -6.774 3.825 1.00 0.00 O ATOM 1114 CB VAL A 68 10.484 -4.121 3.458 1.00 0.00 C ATOM 1115 CG1 VAL A 68 11.591 -5.177 3.489 1.00 0.00 C ATOM 1116 CG2 VAL A 68 9.892 -4.048 2.047 1.00 0.00 C ATOM 0 H VAL A 68 10.460 -5.812 5.752 1.00 0.00 H new ATOM 0 HA VAL A 68 8.736 -3.636 4.628 1.00 0.00 H new ATOM 0 HB VAL A 68 10.899 -3.149 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.368 -4.911 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.021 -5.224 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.174 -6.149 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.676 -3.784 1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.470 -5.017 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.108 -3.291 2.020 1.00 0.00 H new ATOM 1126 N PHE A 69 7.332 -5.399 3.544 1.00 0.00 N ATOM 1127 CA PHE A 69 6.478 -6.491 2.995 1.00 0.00 C ATOM 1128 C PHE A 69 6.459 -6.399 1.468 1.00 0.00 C ATOM 1129 O PHE A 69 6.884 -5.418 0.892 1.00 0.00 O ATOM 1130 CB PHE A 69 5.049 -6.369 3.551 1.00 0.00 C ATOM 1131 CG PHE A 69 4.304 -5.238 2.872 1.00 0.00 C ATOM 1132 CD1 PHE A 69 3.896 -5.357 1.534 1.00 0.00 C ATOM 1133 CD2 PHE A 69 4.009 -4.068 3.588 1.00 0.00 C ATOM 1134 CE1 PHE A 69 3.200 -4.311 0.916 1.00 0.00 C ATOM 1135 CE2 PHE A 69 3.311 -3.022 2.966 1.00 0.00 C ATOM 1136 CZ PHE A 69 2.908 -3.144 1.632 1.00 0.00 C ATOM 0 H PHE A 69 6.886 -4.483 3.597 1.00 0.00 H new ATOM 0 HA PHE A 69 6.886 -7.457 3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.513 -7.306 3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.086 -6.193 4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.119 -6.257 0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.319 -3.973 4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.888 -4.405 -0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.085 -2.122 3.518 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.371 -2.338 1.154 1.00 0.00 H new ATOM 1146 N LYS A 70 5.971 -7.413 0.806 1.00 0.00 N ATOM 1147 CA LYS A 70 5.929 -7.379 -0.682 1.00 0.00 C ATOM 1148 C LYS A 70 4.501 -7.645 -1.166 1.00 0.00 C ATOM 1149 O LYS A 70 3.948 -8.706 -0.949 1.00 0.00 O ATOM 1150 CB LYS A 70 6.865 -8.454 -1.240 1.00 0.00 C ATOM 1151 CG LYS A 70 6.612 -8.627 -2.739 1.00 0.00 C ATOM 1152 CD LYS A 70 5.782 -9.891 -2.976 1.00 0.00 C ATOM 1153 CE LYS A 70 6.702 -11.113 -2.983 1.00 0.00 C ATOM 1154 NZ LYS A 70 7.055 -11.462 -4.388 1.00 0.00 N ATOM 0 H LYS A 70 5.600 -8.262 1.232 1.00 0.00 H new ATOM 0 HA LYS A 70 6.249 -6.397 -1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.903 -8.172 -1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.700 -9.399 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.088 -7.756 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.560 -8.697 -3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.028 -9.995 -2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.251 -9.817 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.606 -10.904 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.208 -11.956 -2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.681 -12.293 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.188 -11.678 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.543 -10.659 -4.833 1.00 0.00 H new ATOM 1168 N ILE A 71 3.900 -6.691 -1.825 1.00 0.00 N ATOM 1169 CA ILE A 71 2.512 -6.892 -2.330 1.00 0.00 C ATOM 1170 C ILE A 71 2.572 -7.256 -3.814 1.00 0.00 C ATOM 1171 O ILE A 71 3.582 -7.091 -4.469 1.00 0.00 O ATOM 1172 CB ILE A 71 1.700 -5.595 -2.135 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.012 -5.623 -0.768 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.630 -5.445 -3.232 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.570 -4.208 -0.390 1.00 0.00 C ATOM 0 H ILE A 71 4.311 -5.781 -2.035 1.00 0.00 H new ATOM 0 HA ILE A 71 2.027 -7.697 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 71 2.386 -4.750 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.150 -6.289 -0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.694 -6.016 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.071 -4.523 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.113 -5.412 -4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.053 -6.294 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.080 -4.228 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.441 -3.555 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.127 -3.832 -1.139 1.00 0.00 H new ATOM 1187 N THR A 72 1.488 -7.740 -4.348 1.00 0.00 N ATOM 1188 CA THR A 72 1.463 -8.105 -5.789 1.00 0.00 C ATOM 1189 C THR A 72 0.100 -7.733 -6.368 1.00 0.00 C ATOM 1190 O THR A 72 -0.887 -8.401 -6.138 1.00 0.00 O ATOM 1191 CB THR A 72 1.690 -9.608 -5.953 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.814 -10.006 -5.180 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.942 -9.918 -7.428 1.00 0.00 C ATOM 0 H THR A 72 0.614 -7.899 -3.846 1.00 0.00 H new ATOM 0 HA THR A 72 2.253 -7.568 -6.314 1.00 0.00 H new ATOM 0 HB THR A 72 0.810 -10.153 -5.611 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.958 -10.970 -5.284 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.105 -10.989 -7.552 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.078 -9.612 -8.017 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.824 -9.375 -7.768 1.00 0.00 H new ATOM 1201 N THR A 73 0.037 -6.665 -7.106 1.00 0.00 N ATOM 1202 CA THR A 73 -1.272 -6.244 -7.685 1.00 0.00 C ATOM 1203 C THR A 73 -1.894 -7.410 -8.454 1.00 0.00 C ATOM 1204 O THR A 73 -1.453 -7.781 -9.524 1.00 0.00 O ATOM 1205 CB THR A 73 -1.096 -5.040 -8.623 1.00 0.00 C ATOM 1206 OG1 THR A 73 -1.035 -5.494 -9.967 1.00 0.00 O ATOM 1207 CG2 THR A 73 0.183 -4.271 -8.284 1.00 0.00 C ATOM 0 H THR A 73 0.829 -6.065 -7.335 1.00 0.00 H new ATOM 0 HA THR A 73 -1.931 -5.950 -6.868 1.00 0.00 H new ATOM 0 HB THR A 73 -1.947 -4.371 -8.496 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.624 -6.383 -9.994 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.288 -3.423 -8.960 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.130 -3.911 -7.256 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.044 -4.931 -8.393 1.00 0.00 H new ATOM 1215 N THR A 74 -2.933 -7.977 -7.908 1.00 0.00 N ATOM 1216 CA THR A 74 -3.634 -9.116 -8.570 1.00 0.00 C ATOM 1217 C THR A 74 -2.619 -10.115 -9.143 1.00 0.00 C ATOM 1218 O THR A 74 -2.898 -10.830 -10.085 1.00 0.00 O ATOM 1219 CB THR A 74 -4.565 -8.579 -9.673 1.00 0.00 C ATOM 1220 OG1 THR A 74 -4.513 -9.423 -10.814 1.00 0.00 O ATOM 1221 CG2 THR A 74 -4.158 -7.160 -10.072 1.00 0.00 C ATOM 0 H THR A 74 -3.334 -7.695 -7.014 1.00 0.00 H new ATOM 0 HA THR A 74 -4.237 -9.644 -7.831 1.00 0.00 H new ATOM 0 HB THR A 74 -5.583 -8.562 -9.283 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.360 -10.348 -10.530 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.826 -6.796 -10.852 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.223 -6.505 -9.203 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.134 -7.167 -10.445 1.00 0.00 H new ATOM 1229 N LYS A 75 -1.447 -10.185 -8.566 1.00 0.00 N ATOM 1230 CA LYS A 75 -0.421 -11.149 -9.055 1.00 0.00 C ATOM 1231 C LYS A 75 0.279 -10.567 -10.278 1.00 0.00 C ATOM 1232 O LYS A 75 0.519 -11.255 -11.250 1.00 0.00 O ATOM 1233 CB LYS A 75 -1.085 -12.475 -9.429 1.00 0.00 C ATOM 1234 CG LYS A 75 -0.087 -13.618 -9.238 1.00 0.00 C ATOM 1235 CD LYS A 75 -0.805 -14.829 -8.639 1.00 0.00 C ATOM 1236 CE LYS A 75 -1.049 -15.869 -9.733 1.00 0.00 C ATOM 1237 NZ LYS A 75 0.247 -16.228 -10.376 1.00 0.00 N ATOM 0 H LYS A 75 -1.157 -9.612 -7.773 1.00 0.00 H new ATOM 0 HA LYS A 75 0.309 -11.327 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.966 -12.640 -8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.425 -12.444 -10.464 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.363 -13.885 -10.194 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.723 -13.301 -8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.205 -15.262 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.753 -14.521 -8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.514 -16.758 -9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.739 -15.474 -10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.195 -17.200 -10.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.439 -15.572 -11.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.012 -16.163 -9.675 1.00 0.00 H new ATOM 1251 N GLN A 76 0.605 -9.305 -10.246 1.00 0.00 N ATOM 1252 CA GLN A 76 1.280 -8.702 -11.420 1.00 0.00 C ATOM 1253 C GLN A 76 2.500 -7.895 -10.981 1.00 0.00 C ATOM 1254 O GLN A 76 3.627 -8.335 -11.098 1.00 0.00 O ATOM 1255 CB GLN A 76 0.300 -7.795 -12.166 1.00 0.00 C ATOM 1256 CG GLN A 76 0.277 -8.182 -13.647 1.00 0.00 C ATOM 1257 CD GLN A 76 -0.456 -7.104 -14.448 1.00 0.00 C ATOM 1258 OE1 GLN A 76 0.131 -6.451 -15.287 1.00 0.00 O ATOM 1259 NE2 GLN A 76 -1.723 -6.890 -14.223 1.00 0.00 N ATOM 0 H GLN A 76 0.434 -8.673 -9.464 1.00 0.00 H new ATOM 0 HA GLN A 76 1.613 -9.502 -12.082 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.698 -7.890 -11.738 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.596 -6.752 -12.056 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.295 -8.297 -14.019 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.219 -9.144 -13.774 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.216 -7.439 -13.518 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.221 -6.174 -14.752 1.00 0.00 H new ATOM 1268 N GLN A 77 2.281 -6.714 -10.498 1.00 0.00 N ATOM 1269 CA GLN A 77 3.422 -5.855 -10.068 1.00 0.00 C ATOM 1270 C GLN A 77 3.748 -6.106 -8.594 1.00 0.00 C ATOM 1271 O GLN A 77 2.874 -6.147 -7.752 1.00 0.00 O ATOM 1272 CB GLN A 77 3.047 -4.382 -10.257 1.00 0.00 C ATOM 1273 CG GLN A 77 3.967 -3.748 -11.301 1.00 0.00 C ATOM 1274 CD GLN A 77 3.594 -2.276 -11.484 1.00 0.00 C ATOM 1275 OE1 GLN A 77 4.417 -1.402 -11.299 1.00 0.00 O ATOM 1276 NE2 GLN A 77 2.379 -1.964 -11.841 1.00 0.00 N ATOM 0 H GLN A 77 1.357 -6.298 -10.379 1.00 0.00 H new ATOM 0 HA GLN A 77 4.296 -6.098 -10.673 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.008 -4.299 -10.575 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.134 -3.850 -9.310 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.007 -3.834 -10.985 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.877 -4.277 -12.250 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.689 -2.699 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.119 -0.985 -11.965 1.00 0.00 H new ATOM 1285 N ASP A 78 5.004 -6.262 -8.277 1.00 0.00 N ATOM 1286 CA ASP A 78 5.392 -6.494 -6.859 1.00 0.00 C ATOM 1287 C ASP A 78 5.773 -5.154 -6.228 1.00 0.00 C ATOM 1288 O ASP A 78 6.208 -4.245 -6.907 1.00 0.00 O ATOM 1289 CB ASP A 78 6.587 -7.448 -6.803 1.00 0.00 C ATOM 1290 CG ASP A 78 7.670 -6.967 -7.770 1.00 0.00 C ATOM 1291 OD1 ASP A 78 7.995 -5.791 -7.728 1.00 0.00 O ATOM 1292 OD2 ASP A 78 8.156 -7.782 -8.536 1.00 0.00 O ATOM 0 H ASP A 78 5.779 -6.239 -8.940 1.00 0.00 H new ATOM 0 HA ASP A 78 4.559 -6.937 -6.314 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.984 -7.492 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.272 -8.458 -7.066 1.00 0.00 H new ATOM 1297 N HIS A 79 5.610 -5.013 -4.942 1.00 0.00 N ATOM 1298 CA HIS A 79 5.962 -3.719 -4.294 1.00 0.00 C ATOM 1299 C HIS A 79 6.596 -3.969 -2.924 1.00 0.00 C ATOM 1300 O HIS A 79 5.920 -4.287 -1.965 1.00 0.00 O ATOM 1301 CB HIS A 79 4.695 -2.877 -4.120 1.00 0.00 C ATOM 1302 CG HIS A 79 4.338 -2.232 -5.432 1.00 0.00 C ATOM 1303 ND1 HIS A 79 4.756 -0.954 -5.765 1.00 0.00 N ATOM 1304 CD2 HIS A 79 3.602 -2.676 -6.503 1.00 0.00 C ATOM 1305 CE1 HIS A 79 4.274 -0.675 -6.990 1.00 0.00 C ATOM 1306 NE2 HIS A 79 3.563 -1.691 -7.486 1.00 0.00 N ATOM 0 H HIS A 79 5.251 -5.733 -4.315 1.00 0.00 H new ATOM 0 HA HIS A 79 6.676 -3.189 -4.925 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.873 -3.504 -3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.854 -2.114 -3.359 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.126 -3.643 -6.572 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.442 0.257 -7.509 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.093 -1.736 -8.390 1.00 0.00 H new ATOM 1314 N PHE A 80 7.888 -3.815 -2.820 1.00 0.00 N ATOM 1315 CA PHE A 80 8.563 -4.027 -1.509 1.00 0.00 C ATOM 1316 C PHE A 80 8.672 -2.683 -0.788 1.00 0.00 C ATOM 1317 O PHE A 80 9.425 -1.816 -1.183 1.00 0.00 O ATOM 1318 CB PHE A 80 9.962 -4.601 -1.738 1.00 0.00 C ATOM 1319 CG PHE A 80 9.926 -5.562 -2.902 1.00 0.00 C ATOM 1320 CD1 PHE A 80 10.107 -5.089 -4.209 1.00 0.00 C ATOM 1321 CD2 PHE A 80 9.714 -6.928 -2.675 1.00 0.00 C ATOM 1322 CE1 PHE A 80 10.073 -5.982 -5.288 1.00 0.00 C ATOM 1323 CE2 PHE A 80 9.681 -7.821 -3.754 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.861 -7.348 -5.060 1.00 0.00 C ATOM 0 H PHE A 80 8.506 -3.551 -3.588 1.00 0.00 H new ATOM 0 HA PHE A 80 7.986 -4.727 -0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.669 -3.796 -1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.308 -5.113 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.273 -4.036 -4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.576 -7.293 -1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.210 -5.617 -6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.517 -8.874 -3.579 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.836 -8.037 -5.892 1.00 0.00 H new ATOM 1334 N PHE A 81 7.916 -2.494 0.258 1.00 0.00 N ATOM 1335 CA PHE A 81 7.970 -1.198 0.988 1.00 0.00 C ATOM 1336 C PHE A 81 8.435 -1.444 2.432 1.00 0.00 C ATOM 1337 O PHE A 81 8.139 -2.459 3.026 1.00 0.00 O ATOM 1338 CB PHE A 81 6.569 -0.540 0.910 1.00 0.00 C ATOM 1339 CG PHE A 81 5.896 -0.414 2.262 1.00 0.00 C ATOM 1340 CD1 PHE A 81 5.752 -1.526 3.108 1.00 0.00 C ATOM 1341 CD2 PHE A 81 5.401 0.832 2.660 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.121 -1.381 4.351 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.767 0.972 3.897 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.626 -0.129 4.744 1.00 0.00 C ATOM 0 H PHE A 81 7.264 -3.180 0.638 1.00 0.00 H new ATOM 0 HA PHE A 81 8.690 -0.514 0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.663 0.450 0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.934 -1.129 0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.127 -2.491 2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.509 1.688 2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.016 -2.233 5.006 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.384 1.936 4.199 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.137 -0.017 5.700 1.00 0.00 H new ATOM 1354 N GLN A 82 9.186 -0.535 2.993 1.00 0.00 N ATOM 1355 CA GLN A 82 9.681 -0.737 4.385 1.00 0.00 C ATOM 1356 C GLN A 82 9.154 0.378 5.290 1.00 0.00 C ATOM 1357 O GLN A 82 9.203 1.541 4.947 1.00 0.00 O ATOM 1358 CB GLN A 82 11.210 -0.715 4.389 1.00 0.00 C ATOM 1359 CG GLN A 82 11.725 -1.096 5.778 1.00 0.00 C ATOM 1360 CD GLN A 82 12.508 0.075 6.373 1.00 0.00 C ATOM 1361 OE1 GLN A 82 12.822 1.024 5.682 1.00 0.00 O ATOM 1362 NE2 GLN A 82 12.837 0.050 7.635 1.00 0.00 N ATOM 0 H GLN A 82 9.477 0.336 2.549 1.00 0.00 H new ATOM 0 HA GLN A 82 9.327 -1.699 4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.596 -1.411 3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.570 0.277 4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.890 -1.356 6.428 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.363 -1.977 5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.573 -0.747 8.215 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.358 0.827 8.042 1.00 0.00 H new ATOM 1371 N ALA A 83 8.656 0.031 6.446 1.00 0.00 N ATOM 1372 CA ALA A 83 8.129 1.070 7.374 1.00 0.00 C ATOM 1373 C ALA A 83 9.258 1.561 8.283 1.00 0.00 C ATOM 1374 O ALA A 83 10.400 1.644 7.876 1.00 0.00 O ATOM 1375 CB ALA A 83 7.007 0.469 8.224 1.00 0.00 C ATOM 0 H ALA A 83 8.592 -0.928 6.787 1.00 0.00 H new ATOM 0 HA ALA A 83 7.738 1.910 6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.620 1.228 8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.205 0.121 7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.397 -0.370 8.800 1.00 0.00 H new ATOM 1381 N ALA A 84 8.954 1.892 9.510 1.00 0.00 N ATOM 1382 CA ALA A 84 10.018 2.382 10.431 1.00 0.00 C ATOM 1383 C ALA A 84 10.414 1.270 11.403 1.00 0.00 C ATOM 1384 O ALA A 84 11.387 1.378 12.121 1.00 0.00 O ATOM 1385 CB ALA A 84 9.497 3.586 11.218 1.00 0.00 C ATOM 0 H ALA A 84 8.018 1.844 9.912 1.00 0.00 H new ATOM 0 HA ALA A 84 10.890 2.677 9.848 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.275 3.945 11.892 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.221 4.382 10.526 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.623 3.291 11.798 1.00 0.00 H new ATOM 1391 N PHE A 85 9.671 0.202 11.428 1.00 0.00 N ATOM 1392 CA PHE A 85 10.011 -0.916 12.354 1.00 0.00 C ATOM 1393 C PHE A 85 8.882 -1.948 12.358 1.00 0.00 C ATOM 1394 O PHE A 85 7.846 -1.757 11.753 1.00 0.00 O ATOM 1395 CB PHE A 85 10.214 -0.370 13.771 1.00 0.00 C ATOM 1396 CG PHE A 85 9.328 0.831 13.990 1.00 0.00 C ATOM 1397 CD1 PHE A 85 7.942 0.667 14.105 1.00 0.00 C ATOM 1398 CD2 PHE A 85 9.890 2.112 14.079 1.00 0.00 C ATOM 1399 CE1 PHE A 85 7.117 1.780 14.310 1.00 0.00 C ATOM 1400 CE2 PHE A 85 9.066 3.227 14.283 1.00 0.00 C ATOM 1401 CZ PHE A 85 7.679 3.061 14.399 1.00 0.00 C ATOM 0 H PHE A 85 8.844 0.053 10.850 1.00 0.00 H new ATOM 0 HA PHE A 85 10.931 -1.392 12.016 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.982 -1.142 14.504 1.00 0.00 H new ATOM 0 HB3 PHE A 85 11.258 -0.094 13.918 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.508 -0.320 14.035 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.959 2.240 13.990 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.048 1.651 14.399 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.499 4.214 14.351 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.044 3.920 14.557 1.00 0.00 H new ATOM 1411 N LEU A 86 9.084 -3.046 13.031 1.00 0.00 N ATOM 1412 CA LEU A 86 8.040 -4.110 13.082 1.00 0.00 C ATOM 1413 C LEU A 86 6.672 -3.493 13.397 1.00 0.00 C ATOM 1414 O LEU A 86 5.692 -3.770 12.735 1.00 0.00 O ATOM 1415 CB LEU A 86 8.417 -5.128 14.172 1.00 0.00 C ATOM 1416 CG LEU A 86 7.159 -5.822 14.715 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.507 -7.239 15.164 1.00 0.00 C ATOM 1418 CD2 LEU A 86 6.618 -5.030 15.908 1.00 0.00 C ATOM 0 H LEU A 86 9.935 -3.255 13.553 1.00 0.00 H new ATOM 0 HA LEU A 86 7.982 -4.609 12.115 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.102 -5.871 13.763 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.941 -4.624 14.984 1.00 0.00 H new ATOM 0 HG LEU A 86 6.403 -5.867 13.931 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.612 -7.729 15.549 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.894 -7.804 14.316 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.263 -7.197 15.948 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.725 -5.520 16.295 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.376 -4.987 16.690 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.367 -4.018 15.589 1.00 0.00 H new ATOM 1430 N GLU A 87 6.591 -2.685 14.414 1.00 0.00 N ATOM 1431 CA GLU A 87 5.280 -2.081 14.781 1.00 0.00 C ATOM 1432 C GLU A 87 4.565 -1.567 13.528 1.00 0.00 C ATOM 1433 O GLU A 87 3.596 -2.143 13.074 1.00 0.00 O ATOM 1434 CB GLU A 87 5.505 -0.920 15.752 1.00 0.00 C ATOM 1435 CG GLU A 87 4.154 -0.335 16.169 1.00 0.00 C ATOM 1436 CD GLU A 87 4.192 0.028 17.655 1.00 0.00 C ATOM 1437 OE1 GLU A 87 5.018 -0.529 18.359 1.00 0.00 O ATOM 1438 OE2 GLU A 87 3.392 0.853 18.064 1.00 0.00 O ATOM 0 H GLU A 87 7.375 -2.416 15.008 1.00 0.00 H new ATOM 0 HA GLU A 87 4.661 -2.842 15.256 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.050 -1.267 16.630 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.117 -0.151 15.280 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.929 0.550 15.573 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.359 -1.057 15.980 1.00 0.00 H new ATOM 1445 N GLU A 88 5.028 -0.481 12.974 1.00 0.00 N ATOM 1446 CA GLU A 88 4.367 0.078 11.759 1.00 0.00 C ATOM 1447 C GLU A 88 4.414 -0.944 10.621 1.00 0.00 C ATOM 1448 O GLU A 88 3.722 -0.815 9.632 1.00 0.00 O ATOM 1449 CB GLU A 88 5.092 1.355 11.327 1.00 0.00 C ATOM 1450 CG GLU A 88 4.134 2.544 11.425 1.00 0.00 C ATOM 1451 CD GLU A 88 4.930 3.823 11.696 1.00 0.00 C ATOM 1452 OE1 GLU A 88 6.056 3.711 12.151 1.00 0.00 O ATOM 1453 OE2 GLU A 88 4.400 4.892 11.441 1.00 0.00 O ATOM 0 H GLU A 88 5.835 0.044 13.309 1.00 0.00 H new ATOM 0 HA GLU A 88 3.327 0.307 11.991 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.963 1.523 11.960 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.456 1.251 10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.568 2.645 10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.411 2.377 12.224 1.00 0.00 H new ATOM 1460 N ARG A 89 5.224 -1.958 10.747 1.00 0.00 N ATOM 1461 CA ARG A 89 5.311 -2.982 9.667 1.00 0.00 C ATOM 1462 C ARG A 89 4.037 -3.831 9.651 1.00 0.00 C ATOM 1463 O ARG A 89 3.537 -4.195 8.606 1.00 0.00 O ATOM 1464 CB ARG A 89 6.519 -3.888 9.913 1.00 0.00 C ATOM 1465 CG ARG A 89 6.669 -4.860 8.741 1.00 0.00 C ATOM 1466 CD ARG A 89 6.837 -6.283 9.276 1.00 0.00 C ATOM 1467 NE ARG A 89 6.182 -7.243 8.343 1.00 0.00 N ATOM 1468 CZ ARG A 89 6.107 -8.508 8.654 1.00 0.00 C ATOM 1469 NH1 ARG A 89 7.178 -9.252 8.622 1.00 0.00 N ATOM 1470 NH2 ARG A 89 4.961 -9.029 8.996 1.00 0.00 N ATOM 0 H ARG A 89 5.830 -2.123 11.551 1.00 0.00 H new ATOM 0 HA ARG A 89 5.422 -2.477 8.707 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.422 -3.288 10.020 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.390 -4.440 10.844 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.793 -4.804 8.094 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.531 -4.584 8.134 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.895 -6.522 9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.395 -6.365 10.269 1.00 0.00 H new ATOM 0 HE ARG A 89 5.792 -6.911 7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.074 -8.845 8.354 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.119 -10.241 8.865 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.123 -8.447 9.020 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.903 -10.018 9.239 1.00 0.00 H new ATOM 1484 N ASP A 90 3.511 -4.154 10.800 1.00 0.00 N ATOM 1485 CA ASP A 90 2.274 -4.983 10.845 1.00 0.00 C ATOM 1486 C ASP A 90 1.049 -4.079 10.706 1.00 0.00 C ATOM 1487 O ASP A 90 0.012 -4.491 10.225 1.00 0.00 O ATOM 1488 CB ASP A 90 2.209 -5.731 12.178 1.00 0.00 C ATOM 1489 CG ASP A 90 2.944 -7.067 12.050 1.00 0.00 C ATOM 1490 OD1 ASP A 90 4.143 -7.041 11.827 1.00 0.00 O ATOM 1491 OD2 ASP A 90 2.295 -8.092 12.177 1.00 0.00 O ATOM 0 H ASP A 90 3.884 -3.880 11.709 1.00 0.00 H new ATOM 0 HA ASP A 90 2.289 -5.702 10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.661 -5.130 12.967 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.170 -5.901 12.462 1.00 0.00 H new ATOM 1496 N ALA A 91 1.158 -2.849 11.124 1.00 0.00 N ATOM 1497 CA ALA A 91 0.000 -1.920 11.015 1.00 0.00 C ATOM 1498 C ALA A 91 -0.144 -1.451 9.566 1.00 0.00 C ATOM 1499 O ALA A 91 -1.227 -1.152 9.104 1.00 0.00 O ATOM 1500 CB ALA A 91 0.230 -0.712 11.924 1.00 0.00 C ATOM 0 H ALA A 91 2.000 -2.447 11.537 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.911 -2.436 11.320 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.617 -0.031 11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.331 -1.047 12.956 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.140 -0.196 11.619 1.00 0.00 H new ATOM 1506 N TRP A 92 0.942 -1.385 8.843 1.00 0.00 N ATOM 1507 CA TRP A 92 0.875 -0.938 7.430 1.00 0.00 C ATOM 1508 C TRP A 92 0.513 -2.127 6.536 1.00 0.00 C ATOM 1509 O TRP A 92 -0.290 -2.016 5.633 1.00 0.00 O ATOM 1510 CB TRP A 92 2.242 -0.400 7.021 1.00 0.00 C ATOM 1511 CG TRP A 92 2.253 1.089 7.138 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.660 1.778 8.230 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.850 2.082 6.153 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.534 3.131 7.976 1.00 0.00 N ATOM 1515 CE2 TRP A 92 2.038 3.369 6.711 1.00 0.00 C ATOM 1516 CE3 TRP A 92 1.344 1.992 4.843 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.733 4.527 5.991 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 1.037 3.156 4.118 1.00 0.00 C ATOM 1519 CH2 TRP A 92 1.232 4.420 4.692 1.00 0.00 C ATOM 0 H TRP A 92 1.876 -1.624 9.177 1.00 0.00 H new ATOM 0 HA TRP A 92 0.119 -0.160 7.322 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.017 -0.830 7.655 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.468 -0.696 5.996 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.023 1.342 9.149 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.778 3.864 8.642 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.191 1.023 4.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.884 5.499 6.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.649 3.076 3.113 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.995 5.311 4.130 1.00 0.00 H new ATOM 1530 N VAL A 93 1.104 -3.265 6.781 1.00 0.00 N ATOM 1531 CA VAL A 93 0.799 -4.463 5.948 1.00 0.00 C ATOM 1532 C VAL A 93 -0.604 -4.972 6.286 1.00 0.00 C ATOM 1533 O VAL A 93 -1.284 -5.549 5.460 1.00 0.00 O ATOM 1534 CB VAL A 93 1.835 -5.556 6.233 1.00 0.00 C ATOM 1535 CG1 VAL A 93 1.526 -6.233 7.571 1.00 0.00 C ATOM 1536 CG2 VAL A 93 1.796 -6.601 5.116 1.00 0.00 C ATOM 0 H VAL A 93 1.786 -3.417 7.524 1.00 0.00 H new ATOM 0 HA VAL A 93 0.839 -4.198 4.891 1.00 0.00 H new ATOM 0 HB VAL A 93 2.826 -5.104 6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.267 -7.008 7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.558 -5.492 8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.533 -6.681 7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.533 -7.378 5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.802 -7.046 5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.025 -6.124 4.163 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.042 -4.763 7.498 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.398 -5.236 7.892 1.00 0.00 C ATOM 1548 C ARG A 94 -3.459 -4.267 7.365 1.00 0.00 C ATOM 1549 O ARG A 94 -4.544 -4.668 6.993 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.488 -5.313 9.419 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.567 -3.900 10.000 1.00 0.00 C ATOM 1552 CD ARG A 94 -2.641 -3.977 11.526 1.00 0.00 C ATOM 1553 NE ARG A 94 -3.912 -4.638 11.933 1.00 0.00 N ATOM 1554 CZ ARG A 94 -4.254 -4.674 13.192 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -3.351 -4.910 14.106 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -5.495 -4.472 13.538 1.00 0.00 N ATOM 0 H ARG A 94 -0.519 -4.285 8.232 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.572 -6.224 7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.366 -5.888 9.713 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.618 -5.833 9.819 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.694 -3.322 9.697 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -3.443 -3.383 9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.789 -4.535 11.914 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.587 -2.976 11.954 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.515 -5.062 11.228 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.380 -5.066 13.835 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.617 -4.938 15.090 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.200 -4.286 12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.761 -4.500 14.522 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.162 -2.995 7.330 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.167 -2.016 6.827 1.00 0.00 C ATOM 1572 C ASP A 95 -4.242 -2.101 5.301 1.00 0.00 C ATOM 1573 O ASP A 95 -5.299 -2.295 4.736 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.770 -0.599 7.241 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.998 0.310 7.173 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.919 0.086 7.940 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -4.996 1.215 6.355 1.00 0.00 O ATOM 0 H ASP A 95 -2.272 -2.594 7.626 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.141 -2.252 7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.362 -0.604 8.252 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.987 -0.222 6.583 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.134 -1.963 4.626 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.164 -2.045 3.141 1.00 0.00 C ATOM 1584 C ILE A 96 -3.804 -3.374 2.735 1.00 0.00 C ATOM 1585 O ILE A 96 -4.529 -3.455 1.763 1.00 0.00 O ATOM 1586 CB ILE A 96 -1.739 -1.960 2.582 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.204 -0.536 2.784 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -1.759 -2.298 1.090 1.00 0.00 C ATOM 1589 CD1 ILE A 96 0.048 -0.313 1.927 1.00 0.00 C ATOM 0 H ILE A 96 -2.215 -1.798 5.037 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.745 -1.216 2.738 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.094 -2.668 3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.971 0.190 2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.967 -0.375 3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.747 -2.238 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.145 -3.308 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.399 -1.589 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.417 0.701 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.819 -1.027 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.201 -0.454 0.875 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.556 -4.413 3.486 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.165 -5.732 3.157 1.00 0.00 C ATOM 1603 C ASN A 97 -5.610 -5.748 3.654 1.00 0.00 C ATOM 1604 O ASN A 97 -6.444 -6.473 3.147 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.374 -6.849 3.841 1.00 0.00 C ATOM 1606 CG ASN A 97 -4.149 -8.164 3.731 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.940 -8.343 2.826 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -3.954 -9.098 4.621 1.00 0.00 N ATOM 0 H ASN A 97 -2.958 -4.405 4.312 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.144 -5.889 2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.394 -6.952 3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.205 -6.601 4.889 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.465 -9.978 4.557 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.290 -8.948 5.381 1.00 0.00 H new ATOM 1615 N LYS A 98 -5.915 -4.947 4.639 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.307 -4.907 5.165 1.00 0.00 C ATOM 1617 C LYS A 98 -8.224 -4.313 4.095 1.00 0.00 C ATOM 1618 O LYS A 98 -9.116 -4.968 3.595 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.356 -4.037 6.423 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.810 -3.853 6.858 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.024 -4.518 8.219 1.00 0.00 C ATOM 1622 CE LYS A 98 -8.941 -6.037 8.064 1.00 0.00 C ATOM 1623 NZ LYS A 98 -7.765 -6.552 8.823 1.00 0.00 N ATOM 0 H LYS A 98 -5.258 -4.318 5.102 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.636 -5.916 5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.782 -4.504 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.899 -3.067 6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.051 -2.792 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.480 -4.291 6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.271 -4.172 8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.996 -4.236 8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.856 -6.501 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.851 -6.301 7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.872 -7.575 8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.896 -6.373 8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.706 -6.068 9.742 1.00 0.00 H new ATOM 1637 N ALA A 99 -8.004 -3.078 3.731 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.856 -2.452 2.683 1.00 0.00 C ATOM 1639 C ALA A 99 -8.791 -3.312 1.422 1.00 0.00 C ATOM 1640 O ALA A 99 -9.759 -3.457 0.706 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.340 -1.045 2.373 1.00 0.00 C ATOM 0 H ALA A 99 -7.273 -2.478 4.114 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.886 -2.383 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.965 -0.589 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.374 -0.437 3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.312 -1.105 2.015 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.652 -3.892 1.152 1.00 0.00 N ATOM 1648 CA ILE A 100 -7.520 -4.756 -0.053 1.00 0.00 C ATOM 1649 C ILE A 100 -8.475 -5.944 0.085 1.00 0.00 C ATOM 1650 O ILE A 100 -9.052 -6.408 -0.879 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.071 -5.256 -0.159 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.188 -4.144 -0.727 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.003 -6.475 -1.083 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -3.716 -4.528 -0.563 1.00 0.00 C ATOM 0 H ILE A 100 -6.807 -3.803 1.716 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.769 -4.192 -0.952 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.719 -5.537 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.418 -3.984 -1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.390 -3.205 -0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.972 -6.822 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.628 -7.272 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.360 -6.200 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.086 -3.736 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.492 -4.665 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.520 -5.457 -1.099 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.648 -6.438 1.281 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.567 -7.592 1.486 1.00 0.00 C ATOM 1668 C LYS A 101 -11.004 -7.084 1.625 1.00 0.00 C ATOM 1669 O LYS A 101 -11.947 -7.851 1.647 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.166 -8.344 2.756 1.00 0.00 C ATOM 1671 CG LYS A 101 -7.916 -9.182 2.480 1.00 0.00 C ATOM 1672 CD LYS A 101 -8.105 -10.587 3.052 1.00 0.00 C ATOM 1673 CE LYS A 101 -7.366 -10.697 4.387 1.00 0.00 C ATOM 1674 NZ LYS A 101 -8.121 -9.955 5.435 1.00 0.00 N ATOM 0 H LYS A 101 -8.192 -6.091 2.125 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.502 -8.264 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.972 -7.638 3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.983 -8.987 3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.732 -9.237 1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.042 -8.710 2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.166 -10.794 3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.725 -11.331 2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.261 -11.744 4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.359 -10.290 4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.646 -10.072 6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.155 -8.945 5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.089 -10.329 5.496 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.177 -5.795 1.716 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.551 -5.232 1.848 1.00 0.00 C ATOM 1690 C CYS A 102 -13.083 -4.871 0.461 1.00 0.00 C ATOM 1691 O CYS A 102 -14.273 -4.888 0.216 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.506 -3.976 2.722 1.00 0.00 C ATOM 1693 SG CYS A 102 -14.177 -3.579 3.293 1.00 0.00 S ATOM 0 H CYS A 102 -10.425 -5.105 1.705 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.207 -5.970 2.310 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.847 -4.137 3.575 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.095 -3.140 2.156 1.00 0.00 H new ATOM 0 HG CYS A 102 -14.140 -2.514 4.037 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.206 -4.555 -0.452 1.00 0.00 N ATOM 1700 CA ILE A 103 -12.651 -4.203 -1.829 1.00 0.00 C ATOM 1701 C ILE A 103 -12.975 -5.499 -2.583 1.00 0.00 C ATOM 1702 O ILE A 103 -14.123 -5.877 -2.711 1.00 0.00 O ATOM 1703 CB ILE A 103 -11.523 -3.420 -2.534 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -11.762 -1.917 -2.358 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -11.480 -3.743 -4.031 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.003 -1.499 -3.148 1.00 0.00 C ATOM 0 H ILE A 103 -11.197 -4.526 -0.303 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.543 -3.577 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.573 -3.711 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.894 -1.681 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -10.893 -1.357 -2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.676 -3.177 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.302 -4.810 -4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -12.431 -3.472 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.172 -0.430 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.853 -1.720 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.870 -2.049 -2.781 1.00 0.00 H new ATOM 1718 N GLU A 104 -11.969 -6.185 -3.067 1.00 0.00 N ATOM 1719 CA GLU A 104 -12.203 -7.460 -3.805 1.00 0.00 C ATOM 1720 C GLU A 104 -13.467 -7.341 -4.654 1.00 0.00 C ATOM 1721 O GLU A 104 -14.363 -8.159 -4.574 1.00 0.00 O ATOM 1722 CB GLU A 104 -12.366 -8.595 -2.797 1.00 0.00 C ATOM 1723 CG GLU A 104 -11.056 -8.785 -2.035 1.00 0.00 C ATOM 1724 CD GLU A 104 -11.171 -10.002 -1.116 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -12.201 -10.142 -0.477 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -10.229 -10.776 -1.068 1.00 0.00 O ATOM 0 H GLU A 104 -10.990 -5.913 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.355 -7.666 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.174 -8.367 -2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.638 -9.517 -3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.232 -8.922 -2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.831 -7.894 -1.449 1.00 0.00 H new ATOM 1733 N GLY A 105 -13.551 -6.320 -5.458 1.00 0.00 N ATOM 1734 CA GLY A 105 -14.762 -6.135 -6.301 1.00 0.00 C ATOM 1735 C GLY A 105 -15.906 -5.640 -5.424 1.00 0.00 C ATOM 1736 O GLY A 105 -16.624 -6.412 -4.821 1.00 0.00 O ATOM 0 H GLY A 105 -12.832 -5.605 -5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -14.561 -5.418 -7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -15.035 -7.075 -6.780 1.00 0.00 H new ATOM 1740 N LEU A 106 -16.070 -4.357 -5.344 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.160 -3.791 -4.502 1.00 0.00 C ATOM 1742 C LEU A 106 -17.558 -2.420 -5.042 1.00 0.00 C ATOM 1743 O LEU A 106 -17.387 -1.407 -4.392 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.668 -3.648 -3.063 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.695 -4.254 -2.103 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -19.084 -3.694 -2.415 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -17.710 -5.776 -2.269 1.00 0.00 C ATOM 0 H LEU A 106 -15.494 -3.667 -5.827 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.023 -4.456 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.707 -4.149 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.510 -2.596 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 106 -17.426 -4.001 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -19.813 -4.127 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -19.074 -2.610 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -19.356 -3.945 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -18.441 -6.209 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -17.978 -6.027 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -16.721 -6.176 -2.044 1.00 0.00 H new ATOM 1759 N GLU A 107 -18.089 -2.383 -6.229 1.00 0.00 N ATOM 1760 CA GLU A 107 -18.504 -1.084 -6.825 1.00 0.00 C ATOM 1761 C GLU A 107 -20.025 -0.949 -6.748 1.00 0.00 C ATOM 1762 O GLU A 107 -20.703 -0.862 -7.752 1.00 0.00 O ATOM 1763 CB GLU A 107 -18.062 -1.030 -8.289 1.00 0.00 C ATOM 1764 CG GLU A 107 -16.572 -1.366 -8.386 1.00 0.00 C ATOM 1765 CD GLU A 107 -16.333 -2.287 -9.584 1.00 0.00 C ATOM 1766 OE1 GLU A 107 -16.664 -3.456 -9.483 1.00 0.00 O ATOM 1767 OE2 GLU A 107 -15.820 -1.805 -10.581 1.00 0.00 O ATOM 0 H GLU A 107 -18.255 -3.200 -6.816 1.00 0.00 H new ATOM 0 HA GLU A 107 -18.038 -0.267 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -18.644 -1.736 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -18.249 -0.038 -8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -15.989 -0.452 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -16.237 -1.851 -7.469 1.00 0.00 H new ATOM 1774 N HIS A 108 -20.568 -0.932 -5.562 1.00 0.00 N ATOM 1775 CA HIS A 108 -22.045 -0.804 -5.423 1.00 0.00 C ATOM 1776 C HIS A 108 -22.727 -1.958 -6.160 1.00 0.00 C ATOM 1777 O HIS A 108 -22.093 -2.720 -6.862 1.00 0.00 O ATOM 1778 CB HIS A 108 -22.498 0.526 -6.029 1.00 0.00 C ATOM 1779 CG HIS A 108 -22.979 1.438 -4.934 1.00 0.00 C ATOM 1780 ND1 HIS A 108 -22.141 2.352 -4.312 1.00 0.00 N ATOM 1781 CD2 HIS A 108 -24.206 1.589 -4.339 1.00 0.00 C ATOM 1782 CE1 HIS A 108 -22.869 3.006 -3.390 1.00 0.00 C ATOM 1783 NE2 HIS A 108 -24.136 2.580 -3.363 1.00 0.00 N ATOM 0 H HIS A 108 -20.053 -1.001 -4.684 1.00 0.00 H new ATOM 0 HA HIS A 108 -22.317 -0.835 -4.368 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -21.673 0.992 -6.569 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -23.296 0.356 -6.752 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -25.092 1.025 -4.590 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -22.478 3.782 -2.749 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -24.889 2.910 -2.758 1.00 0.00 H new ATOM 1791 N HIS A 109 -24.016 -2.093 -6.007 1.00 0.00 N ATOM 1792 CA HIS A 109 -24.737 -3.198 -6.699 1.00 0.00 C ATOM 1793 C HIS A 109 -24.213 -4.544 -6.192 1.00 0.00 C ATOM 1794 O HIS A 109 -23.473 -5.228 -6.871 1.00 0.00 O ATOM 1795 CB HIS A 109 -24.503 -3.093 -8.207 1.00 0.00 C ATOM 1796 CG HIS A 109 -25.813 -2.849 -8.904 1.00 0.00 C ATOM 1797 ND1 HIS A 109 -26.019 -1.757 -9.731 1.00 0.00 N ATOM 1798 CD2 HIS A 109 -26.995 -3.549 -8.906 1.00 0.00 C ATOM 1799 CE1 HIS A 109 -27.280 -1.830 -10.193 1.00 0.00 C ATOM 1800 NE2 HIS A 109 -27.920 -2.903 -9.721 1.00 0.00 N ATOM 0 H HIS A 109 -24.601 -1.486 -5.433 1.00 0.00 H new ATOM 0 HA HIS A 109 -25.804 -3.123 -6.492 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -23.808 -2.281 -8.422 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -24.047 -4.010 -8.579 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -27.179 -4.462 -8.359 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -27.722 -1.108 -10.864 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -28.880 -3.188 -9.916 1.00 0.00 H new ATOM 1808 N HIS A 110 -24.590 -4.928 -5.003 1.00 0.00 N ATOM 1809 CA HIS A 110 -24.113 -6.228 -4.454 1.00 0.00 C ATOM 1810 C HIS A 110 -24.321 -7.330 -5.494 1.00 0.00 C ATOM 1811 O HIS A 110 -25.427 -7.588 -5.926 1.00 0.00 O ATOM 1812 CB HIS A 110 -24.902 -6.567 -3.187 1.00 0.00 C ATOM 1813 CG HIS A 110 -26.316 -6.925 -3.555 1.00 0.00 C ATOM 1814 ND1 HIS A 110 -26.682 -8.211 -3.922 1.00 0.00 N ATOM 1815 CD2 HIS A 110 -27.466 -6.176 -3.618 1.00 0.00 C ATOM 1816 CE1 HIS A 110 -28.001 -8.197 -4.187 1.00 0.00 C ATOM 1817 NE2 HIS A 110 -28.528 -6.981 -4.017 1.00 0.00 N ATOM 0 H HIS A 110 -25.208 -4.398 -4.389 1.00 0.00 H new ATOM 0 HA HIS A 110 -23.053 -6.152 -4.213 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -24.430 -7.399 -2.664 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -24.897 -5.717 -2.505 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -27.535 -5.122 -3.392 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -28.565 -9.063 -4.499 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -29.500 -6.703 -4.151 1.00 0.00 H new ATOM 1825 N HIS A 111 -23.266 -7.982 -5.901 1.00 0.00 N ATOM 1826 CA HIS A 111 -23.404 -9.067 -6.913 1.00 0.00 C ATOM 1827 C HIS A 111 -24.171 -8.537 -8.126 1.00 0.00 C ATOM 1828 O HIS A 111 -24.443 -7.356 -8.233 1.00 0.00 O ATOM 1829 CB HIS A 111 -24.170 -10.241 -6.300 1.00 0.00 C ATOM 1830 CG HIS A 111 -23.260 -11.006 -5.378 1.00 0.00 C ATOM 1831 ND1 HIS A 111 -23.628 -11.336 -4.083 1.00 0.00 N ATOM 1832 CD2 HIS A 111 -21.996 -11.512 -5.549 1.00 0.00 C ATOM 1833 CE1 HIS A 111 -22.604 -12.011 -3.530 1.00 0.00 C ATOM 1834 NE2 HIS A 111 -21.584 -12.147 -4.381 1.00 0.00 N ATOM 0 H HIS A 111 -22.315 -7.810 -5.576 1.00 0.00 H new ATOM 0 HA HIS A 111 -22.415 -9.401 -7.225 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -25.038 -9.876 -5.751 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -24.543 -10.897 -7.087 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -21.410 -11.430 -6.452 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -22.607 -12.396 -2.521 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -20.694 -12.616 -4.211 1.00 0.00 H new ATOM 1842 N HIS A 112 -24.522 -9.399 -9.041 1.00 0.00 N ATOM 1843 CA HIS A 112 -25.271 -8.943 -10.245 1.00 0.00 C ATOM 1844 C HIS A 112 -24.628 -7.667 -10.793 1.00 0.00 C ATOM 1845 O HIS A 112 -25.084 -6.571 -10.533 1.00 0.00 O ATOM 1846 CB HIS A 112 -26.725 -8.657 -9.864 1.00 0.00 C ATOM 1847 CG HIS A 112 -27.480 -9.954 -9.765 1.00 0.00 C ATOM 1848 ND1 HIS A 112 -27.581 -10.833 -10.832 1.00 0.00 N ATOM 1849 CD2 HIS A 112 -28.178 -10.533 -8.734 1.00 0.00 C ATOM 1850 CE1 HIS A 112 -28.314 -11.884 -10.422 1.00 0.00 C ATOM 1851 NE2 HIS A 112 -28.702 -11.753 -9.151 1.00 0.00 N ATOM 0 H HIS A 112 -24.322 -10.399 -9.006 1.00 0.00 H new ATOM 0 HA HIS A 112 -25.241 -9.722 -11.007 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -26.766 -8.126 -8.913 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -27.187 -8.010 -10.610 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -28.302 -10.107 -7.749 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -28.559 -12.731 -11.045 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -29.262 -12.407 -8.604 1.00 0.00 H new ATOM 1859 N HIS A 113 -23.573 -7.800 -11.548 1.00 0.00 N ATOM 1860 CA HIS A 113 -22.904 -6.593 -12.111 1.00 0.00 C ATOM 1861 C HIS A 113 -23.235 -6.472 -13.599 1.00 0.00 C ATOM 1862 O HIS A 113 -22.582 -7.136 -14.388 1.00 0.00 O ATOM 1863 CB HIS A 113 -21.389 -6.721 -11.935 1.00 0.00 C ATOM 1864 CG HIS A 113 -20.771 -5.350 -11.914 1.00 0.00 C ATOM 1865 ND1 HIS A 113 -21.335 -4.275 -12.582 1.00 0.00 N ATOM 1866 CD2 HIS A 113 -19.637 -4.864 -11.311 1.00 0.00 C ATOM 1867 CE1 HIS A 113 -20.547 -3.205 -12.367 1.00 0.00 C ATOM 1868 NE2 HIS A 113 -19.498 -3.509 -11.597 1.00 0.00 N ATOM 1869 OXT HIS A 113 -24.136 -5.717 -13.926 1.00 0.00 O ATOM 0 H HIS A 113 -23.145 -8.691 -11.800 1.00 0.00 H new ATOM 0 HA HIS A 113 -23.258 -5.705 -11.587 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -21.163 -7.248 -11.008 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -20.966 -7.310 -12.748 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -18.956 -5.445 -10.707 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -20.739 -2.221 -12.768 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -18.755 -2.883 -11.286 1.00 0.00 H new TER 1877 HIS A 113