USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1101 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: C 38 ASN : amide:sc= 0.071! C(o=1.1!,f=-6.5!) USER MOD Set 1.2: C 40 LYS NZ :NH3+ 179:sc= 0.993 (180deg=0) USER MOD Set 2.1: C 15 LYS NZ :NH3+ -146:sc= 1.22 (180deg=-0.175) USER MOD Set 2.2: C 36 GLN : amide:sc= 0.268 K(o=1.5,f=-12!) USER MOD Set 3.1: C 23 THR OG1 : rot -129:sc= 0.677 USER MOD Set 3.2: C 27 GLN : amide:sc= 0.711 K(o=1.4,f=-1.7) USER MOD Set 4.1: A 14 HIS : no HD1:sc= -8.29! K(o=-15!,f=-7.1) USER MOD Set 4.2: C 83 HIS : no HE2:sc= -6.27! C(o=-15!,f=-7.1!) USER MOD Set 5.1: A 5 SER OG : rot 180:sc= -0.0125 USER MOD Set 5.2: A 7 HIS : no HD1:sc= -0.012 X(o=-0.024,f=0.081) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -155:sc= 0 (180deg=-1.04) USER MOD Single : A -1 GLY N :NH3+ -108:sc= 0.0296 (180deg=0) USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -41:sc= 0.386 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : C 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 4 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=-0.025) USER MOD Single : C 5 HIS : no HD1:sc= -0.232 X(o=-0.23,f=0.047) USER MOD Single : C 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 7 HIS : no HD1:sc= -0.0421 X(o=-0.042,f=0) USER MOD Single : C 8 HIS : no HD1:sc= 0 X(o=0,f=-0.00073) USER MOD Single : C 9 HIS : no HD1:sc= -0.0467 X(o=-0.047,f=-0.52) USER MOD Single : C 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot -41:sc= 0.6 USER MOD Single : C 28 THR OG1 : rot 180:sc= -0.906 USER MOD Single : C 30 THR OG1 : rot 180:sc= -1.64! USER MOD Single : C 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 175:sc= -3.06 (180deg=-3.1) USER MOD Single : C 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 49 SER OG : rot 180:sc= 0.142 USER MOD Single : C 51 SER OG : rot -3:sc= 0.959 USER MOD Single : C 54 SER OG : rot 180:sc=-0.000965 USER MOD Single : C 56 LYS NZ :NH3+ -168:sc= -0.0364 (180deg=-0.231) USER MOD Single : C 57 GLN : amide:sc= -6.74! C(o=-6.7!,f=-14!) USER MOD Single : C 61 TYR OH : rot 180:sc= -0.465 USER MOD Single : C 62 GLN : amide:sc= 0 X(o=0,f=0.048) USER MOD Single : C 67 GLN : amide:sc= 0.0387 X(o=0.039,f=0) USER MOD Single : C 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 71 LYS NZ :NH3+ 167:sc= -0.0251 (180deg=-0.223) USER MOD Single : C 73 GLN : amide:sc= -1.08 K(o=-1.1,f=0) USER MOD Single : C 75 TYR OH : rot -143:sc= 0.177 USER MOD Single : C 76 ASN : amide:sc= -0.342 K(o=-0.34,f=-1) USER MOD Single : C 80 LYS NZ :NH3+ -167:sc= -0.0449 (180deg=-0.275) USER MOD Single : C 91 GLN : amide:sc= -0.059 X(o=-0.059,f=-0.018) USER MOD Single : C 92 THR OG1 : rot -39:sc= 0.887 USER MOD Single : C 93 HIS : no HD1:sc= -0.0849 X(o=-0.085,f=-0.19) USER MOD Single : C 96 SER OG : rot 180:sc= 0.00731 USER MOD Single : C 99 SER OG : rot 180:sc= 0 USER MOD Single : C 100 SER OG : rot 180:sc= 0.0451 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -18.282 1.688 17.583 1.00 0.00 N ATOM 2 CA GLY A -1 -19.280 1.178 18.549 1.00 0.00 C ATOM 3 C GLY A -1 -18.723 0.057 19.396 1.00 0.00 C ATOM 4 O GLY A -1 -17.863 -0.699 18.945 1.00 0.00 O ATOM 0 H1 GLY A -1 -17.958 2.629 17.883 1.00 0.00 H new ATOM 0 H2 GLY A -1 -17.471 1.038 17.546 1.00 0.00 H new ATOM 0 H3 GLY A -1 -18.715 1.756 16.640 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -19.609 1.992 19.195 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -20.159 0.824 18.010 1.00 0.00 H new ATOM 10 N SER A 0 -19.203 -0.044 20.626 1.00 0.00 N ATOM 11 CA SER A 0 -18.785 -1.104 21.529 1.00 0.00 C ATOM 12 C SER A 0 -19.486 -2.407 21.159 1.00 0.00 C ATOM 13 O SER A 0 -20.705 -2.431 20.982 1.00 0.00 O ATOM 14 CB SER A 0 -19.116 -0.713 22.969 1.00 0.00 C ATOM 15 OG SER A 0 -18.587 0.567 23.278 1.00 0.00 O ATOM 0 H SER A 0 -19.887 0.600 21.023 1.00 0.00 H new ATOM 0 HA SER A 0 -17.708 -1.250 21.441 1.00 0.00 H new ATOM 0 HB2 SER A 0 -20.197 -0.708 23.110 1.00 0.00 H new ATOM 0 HB3 SER A 0 -18.708 -1.455 23.655 1.00 0.00 H new ATOM 0 HG SER A 0 -18.811 0.799 24.203 1.00 0.00 H new ATOM 21 N MET A 1 -18.725 -3.483 21.030 1.00 0.00 N ATOM 22 CA MET A 1 -19.288 -4.757 20.609 1.00 0.00 C ATOM 23 C MET A 1 -18.512 -5.919 21.208 1.00 0.00 C ATOM 24 O MET A 1 -17.370 -5.761 21.645 1.00 0.00 O ATOM 25 CB MET A 1 -19.277 -4.864 19.080 1.00 0.00 C ATOM 26 CG MET A 1 -17.883 -4.930 18.476 1.00 0.00 C ATOM 27 SD MET A 1 -17.918 -5.137 16.685 1.00 0.00 S ATOM 28 CE MET A 1 -16.169 -5.249 16.322 1.00 0.00 C ATOM 0 H MET A 1 -17.721 -3.500 21.210 1.00 0.00 H new ATOM 0 HA MET A 1 -20.317 -4.804 20.966 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.833 -5.754 18.784 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.803 -4.006 18.662 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.340 -4.018 18.723 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.335 -5.759 18.924 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.990 -4.938 15.293 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.615 -4.599 16.999 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.835 -6.278 16.453 1.00 0.00 H new ATOM 38 N ALA A 2 -19.144 -7.084 21.225 1.00 0.00 N ATOM 39 CA ALA A 2 -18.504 -8.295 21.704 1.00 0.00 C ATOM 40 C ALA A 2 -17.628 -8.882 20.610 1.00 0.00 C ATOM 41 O ALA A 2 -18.115 -9.579 19.714 1.00 0.00 O ATOM 42 CB ALA A 2 -19.547 -9.305 22.156 1.00 0.00 C ATOM 0 H ALA A 2 -20.105 -7.213 20.910 1.00 0.00 H new ATOM 0 HA ALA A 2 -17.877 -8.049 22.561 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.050 -10.207 22.512 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.143 -8.877 22.962 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.197 -9.556 21.318 1.00 0.00 H new ATOM 48 N GLU A 3 -16.336 -8.590 20.683 1.00 0.00 N ATOM 49 CA GLU A 3 -15.379 -9.026 19.675 1.00 0.00 C ATOM 50 C GLU A 3 -15.031 -10.500 19.848 1.00 0.00 C ATOM 51 O GLU A 3 -13.865 -10.865 20.007 1.00 0.00 O ATOM 52 CB GLU A 3 -14.110 -8.178 19.754 1.00 0.00 C ATOM 53 CG GLU A 3 -14.345 -6.703 19.485 1.00 0.00 C ATOM 54 CD GLU A 3 -13.097 -5.875 19.686 1.00 0.00 C ATOM 55 OE1 GLU A 3 -12.260 -5.815 18.763 1.00 0.00 O ATOM 56 OE2 GLU A 3 -12.938 -5.289 20.778 1.00 0.00 O ATOM 0 H GLU A 3 -15.923 -8.046 21.440 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.838 -8.897 18.695 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.668 -8.292 20.744 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.384 -8.558 19.035 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.702 -6.575 18.463 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.131 -6.337 20.145 1.00 0.00 H new ATOM 63 N ALA A 4 -16.050 -11.342 19.822 1.00 0.00 N ATOM 64 CA ALA A 4 -15.859 -12.778 19.915 1.00 0.00 C ATOM 65 C ALA A 4 -15.794 -13.386 18.524 1.00 0.00 C ATOM 66 O ALA A 4 -15.528 -14.576 18.361 1.00 0.00 O ATOM 67 CB ALA A 4 -16.979 -13.411 20.722 1.00 0.00 C ATOM 0 H ALA A 4 -17.024 -11.052 19.737 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.917 -12.974 20.426 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -16.821 -14.488 20.782 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.987 -12.989 21.727 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -17.935 -13.211 20.237 1.00 0.00 H new ATOM 73 N SER A 5 -16.038 -12.555 17.521 1.00 0.00 N ATOM 74 CA SER A 5 -15.995 -12.988 16.137 1.00 0.00 C ATOM 75 C SER A 5 -15.018 -12.116 15.349 1.00 0.00 C ATOM 76 O SER A 5 -15.424 -11.188 14.643 1.00 0.00 O ATOM 77 CB SER A 5 -17.395 -12.915 15.522 1.00 0.00 C ATOM 78 OG SER A 5 -17.443 -13.563 14.265 1.00 0.00 O ATOM 0 H SER A 5 -16.269 -11.569 17.645 1.00 0.00 H new ATOM 0 HA SER A 5 -15.651 -14.022 16.096 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.115 -13.376 16.198 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.689 -11.872 15.406 1.00 0.00 H new ATOM 0 HG SER A 5 -18.350 -13.500 13.899 1.00 0.00 H new ATOM 84 N PRO A 6 -13.710 -12.387 15.474 1.00 0.00 N ATOM 85 CA PRO A 6 -12.680 -11.613 14.795 1.00 0.00 C ATOM 86 C PRO A 6 -12.651 -11.888 13.297 1.00 0.00 C ATOM 87 O PRO A 6 -13.156 -11.087 12.508 1.00 0.00 O ATOM 88 CB PRO A 6 -11.368 -12.062 15.451 1.00 0.00 C ATOM 89 CG PRO A 6 -11.761 -12.936 16.599 1.00 0.00 C ATOM 90 CD PRO A 6 -13.128 -13.464 16.283 1.00 0.00 C ATOM 0 HA PRO A 6 -12.858 -10.542 14.890 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.743 -12.606 14.742 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.789 -11.204 15.794 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.050 -13.752 16.727 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.769 -12.372 17.531 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.082 -14.404 15.733 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.709 -13.651 17.186 1.00 0.00 H new ATOM 98 N HIS A 7 -12.096 -13.045 12.926 1.00 0.00 N ATOM 99 CA HIS A 7 -11.919 -13.435 11.523 1.00 0.00 C ATOM 100 C HIS A 7 -10.878 -12.555 10.835 1.00 0.00 C ATOM 101 O HIS A 7 -10.938 -11.327 10.900 1.00 0.00 O ATOM 102 CB HIS A 7 -13.236 -13.376 10.739 1.00 0.00 C ATOM 103 CG HIS A 7 -14.303 -14.294 11.245 1.00 0.00 C ATOM 104 ND1 HIS A 7 -14.439 -15.599 10.824 1.00 0.00 N ATOM 105 CD2 HIS A 7 -15.300 -14.081 12.132 1.00 0.00 C ATOM 106 CE1 HIS A 7 -15.475 -16.147 11.432 1.00 0.00 C ATOM 107 NE2 HIS A 7 -16.012 -15.246 12.229 1.00 0.00 N ATOM 0 H HIS A 7 -11.756 -13.740 13.591 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.570 -14.468 11.529 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.613 -12.354 10.764 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.033 -13.616 9.695 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -15.498 -13.163 12.665 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.823 -17.161 11.299 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -16.828 -15.393 12.823 1.00 0.00 H new ATOM 116 N PRO A 8 -9.910 -13.174 10.149 1.00 0.00 N ATOM 117 CA PRO A 8 -8.887 -12.455 9.385 1.00 0.00 C ATOM 118 C PRO A 8 -9.402 -11.979 8.029 1.00 0.00 C ATOM 119 O PRO A 8 -8.631 -11.570 7.162 1.00 0.00 O ATOM 120 CB PRO A 8 -7.822 -13.507 9.205 1.00 0.00 C ATOM 121 CG PRO A 8 -8.592 -14.768 9.069 1.00 0.00 C ATOM 122 CD PRO A 8 -9.721 -14.637 10.056 1.00 0.00 C ATOM 0 HA PRO A 8 -8.547 -11.549 9.887 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.213 -13.313 8.322 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.145 -13.541 10.059 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.967 -14.895 8.053 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.972 -15.636 9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.623 -15.140 9.707 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.466 -15.074 11.022 1.00 0.00 H new ATOM 130 N GLY A 9 -10.718 -12.028 7.864 1.00 0.00 N ATOM 131 CA GLY A 9 -11.338 -11.661 6.608 1.00 0.00 C ATOM 132 C GLY A 9 -11.844 -10.242 6.612 1.00 0.00 C ATOM 133 O GLY A 9 -12.515 -9.804 5.679 1.00 0.00 O ATOM 0 H GLY A 9 -11.373 -12.320 8.589 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.617 -11.785 5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.166 -12.339 6.403 1.00 0.00 H new ATOM 137 N ARG A 10 -11.517 -9.534 7.670 1.00 0.00 N ATOM 138 CA ARG A 10 -11.924 -8.142 7.839 1.00 0.00 C ATOM 139 C ARG A 10 -11.182 -7.250 6.866 1.00 0.00 C ATOM 140 O ARG A 10 -10.044 -6.845 7.108 1.00 0.00 O ATOM 141 CB ARG A 10 -11.651 -7.668 9.268 1.00 0.00 C ATOM 142 CG ARG A 10 -12.370 -8.469 10.337 1.00 0.00 C ATOM 143 CD ARG A 10 -13.876 -8.337 10.213 1.00 0.00 C ATOM 144 NE ARG A 10 -14.575 -9.086 11.253 1.00 0.00 N ATOM 145 CZ ARG A 10 -15.853 -8.898 11.562 1.00 0.00 C ATOM 146 NH1 ARG A 10 -16.563 -7.976 10.924 1.00 0.00 N ATOM 147 NH2 ARG A 10 -16.423 -9.624 12.517 1.00 0.00 N ATOM 0 H ARG A 10 -10.961 -9.900 8.443 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.994 -8.080 7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.578 -7.714 9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.945 -6.622 9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.088 -9.519 10.257 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.054 -8.128 11.323 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.155 -7.285 10.274 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.192 -8.694 9.233 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.053 -9.793 11.771 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.127 -7.411 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.544 -7.833 11.162 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.879 -10.328 13.015 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.405 -9.477 12.752 1.00 0.00 H new ATOM 161 N TYR A 11 -11.831 -6.977 5.752 1.00 0.00 N ATOM 162 CA TYR A 11 -11.342 -6.000 4.808 1.00 0.00 C ATOM 163 C TYR A 11 -12.321 -4.875 4.722 1.00 0.00 C ATOM 164 O TYR A 11 -13.463 -4.988 5.154 1.00 0.00 O ATOM 165 CB TYR A 11 -11.175 -6.573 3.402 1.00 0.00 C ATOM 166 CG TYR A 11 -9.996 -7.452 3.213 1.00 0.00 C ATOM 167 CD1 TYR A 11 -9.827 -8.578 3.988 1.00 0.00 C ATOM 168 CD2 TYR A 11 -9.058 -7.151 2.248 1.00 0.00 C ATOM 169 CE1 TYR A 11 -8.743 -9.394 3.813 1.00 0.00 C ATOM 170 CE2 TYR A 11 -7.962 -7.959 2.062 1.00 0.00 C ATOM 171 CZ TYR A 11 -7.803 -9.084 2.849 1.00 0.00 C ATOM 172 OH TYR A 11 -6.708 -9.899 2.670 1.00 0.00 O ATOM 0 H TYR A 11 -12.706 -7.424 5.479 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.366 -5.671 5.166 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.073 -7.137 3.148 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.108 -5.746 2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.560 -8.820 4.744 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.186 -6.272 1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.623 -10.276 4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.230 -7.717 1.306 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.945 -10.821 2.903 1.00 0.00 H new ATOM 182 N PHE A 12 -11.883 -3.815 4.130 1.00 0.00 N ATOM 183 CA PHE A 12 -12.730 -2.683 3.913 1.00 0.00 C ATOM 184 C PHE A 12 -12.449 -2.133 2.534 1.00 0.00 C ATOM 185 O PHE A 12 -11.307 -1.857 2.198 1.00 0.00 O ATOM 186 CB PHE A 12 -12.514 -1.614 4.984 1.00 0.00 C ATOM 187 CG PHE A 12 -13.523 -0.509 4.925 1.00 0.00 C ATOM 188 CD1 PHE A 12 -14.815 -0.722 5.375 1.00 0.00 C ATOM 189 CD2 PHE A 12 -13.182 0.732 4.416 1.00 0.00 C ATOM 190 CE1 PHE A 12 -15.753 0.291 5.310 1.00 0.00 C ATOM 191 CE2 PHE A 12 -14.112 1.749 4.352 1.00 0.00 C ATOM 192 CZ PHE A 12 -15.400 1.531 4.799 1.00 0.00 C ATOM 0 H PHE A 12 -10.930 -3.705 3.782 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.773 -2.992 3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.553 -2.081 5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.515 -1.192 4.871 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.091 -1.685 5.779 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.176 0.906 4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.761 0.117 5.657 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.833 2.713 3.953 1.00 0.00 H new ATOM 0 HZ PHE A 12 -16.131 2.324 4.751 1.00 0.00 H new ATOM 202 N CYS A 13 -13.469 -2.037 1.714 1.00 0.00 N ATOM 203 CA CYS A 13 -13.305 -1.440 0.414 1.00 0.00 C ATOM 204 C CYS A 13 -13.756 0.000 0.464 1.00 0.00 C ATOM 205 O CYS A 13 -14.950 0.291 0.480 1.00 0.00 O ATOM 206 CB CYS A 13 -14.041 -2.257 -0.647 1.00 0.00 C ATOM 207 SG CYS A 13 -14.655 -1.348 -2.088 1.00 0.00 S ATOM 0 H CYS A 13 -14.413 -2.362 1.923 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.253 -1.445 0.130 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.371 -3.041 -0.999 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.887 -2.751 -0.170 1.00 0.00 H new ATOM 212 N HIS A 14 -12.777 0.889 0.550 1.00 0.00 N ATOM 213 CA HIS A 14 -13.011 2.327 0.611 1.00 0.00 C ATOM 214 C HIS A 14 -13.897 2.819 -0.534 1.00 0.00 C ATOM 215 O HIS A 14 -14.576 3.832 -0.400 1.00 0.00 O ATOM 216 CB HIS A 14 -11.674 3.074 0.613 1.00 0.00 C ATOM 217 CG HIS A 14 -10.697 2.569 -0.400 1.00 0.00 C ATOM 218 ND1 HIS A 14 -10.775 2.873 -1.738 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.646 1.735 -0.268 1.00 0.00 C ATOM 220 CE1 HIS A 14 -9.818 2.238 -2.382 1.00 0.00 C ATOM 221 NE2 HIS A 14 -9.112 1.538 -1.513 1.00 0.00 N ATOM 0 H HIS A 14 -11.790 0.632 0.580 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.545 2.535 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.860 4.132 0.428 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.227 2.997 1.604 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.289 1.300 0.654 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.640 2.282 -3.446 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -8.307 0.951 -1.732 1.00 0.00 H new ATOM 230 N CYS A 15 -13.907 2.086 -1.643 1.00 0.00 N ATOM 231 CA CYS A 15 -14.738 2.446 -2.778 1.00 0.00 C ATOM 232 C CYS A 15 -16.222 2.284 -2.428 1.00 0.00 C ATOM 233 O CYS A 15 -17.030 3.175 -2.685 1.00 0.00 O ATOM 234 CB CYS A 15 -14.373 1.615 -3.982 1.00 0.00 C ATOM 235 SG CYS A 15 -14.831 2.354 -5.566 1.00 0.00 S ATOM 0 H CYS A 15 -13.350 1.242 -1.776 1.00 0.00 H new ATOM 0 HA CYS A 15 -14.560 3.493 -3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -13.297 1.439 -3.974 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -14.856 0.641 -3.896 1.00 0.00 H new ATOM 0 HG CYS A 15 -14.472 1.563 -6.534 1.00 0.00 H new ATOM 241 N CYS A 16 -16.568 1.146 -1.818 1.00 0.00 N ATOM 242 CA CYS A 16 -17.921 0.927 -1.303 1.00 0.00 C ATOM 243 C CYS A 16 -18.126 1.735 -0.024 1.00 0.00 C ATOM 244 O CYS A 16 -19.238 2.141 0.308 1.00 0.00 O ATOM 245 CB CYS A 16 -18.180 -0.565 -0.988 1.00 0.00 C ATOM 246 SG CYS A 16 -18.388 -1.654 -2.422 1.00 0.00 S ATOM 0 H CYS A 16 -15.930 0.364 -1.669 1.00 0.00 H new ATOM 0 HA CYS A 16 -18.619 1.248 -2.076 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -17.349 -0.939 -0.390 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -19.075 -0.636 -0.370 1.00 0.00 H new ATOM 251 N SER A 17 -17.011 1.957 0.672 1.00 0.00 N ATOM 252 CA SER A 17 -16.987 2.529 2.016 1.00 0.00 C ATOM 253 C SER A 17 -17.817 1.671 2.963 1.00 0.00 C ATOM 254 O SER A 17 -18.378 2.158 3.948 1.00 0.00 O ATOM 255 CB SER A 17 -17.480 3.970 2.046 1.00 0.00 C ATOM 256 OG SER A 17 -17.244 4.632 0.809 1.00 0.00 O ATOM 0 H SER A 17 -16.083 1.740 0.310 1.00 0.00 H new ATOM 0 HA SER A 17 -15.947 2.539 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.547 3.985 2.269 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.978 4.510 2.849 1.00 0.00 H new ATOM 0 HG SER A 17 -16.356 4.390 0.472 1.00 0.00 H new ATOM 262 N VAL A 18 -17.869 0.384 2.657 1.00 0.00 N ATOM 263 CA VAL A 18 -18.538 -0.593 3.496 1.00 0.00 C ATOM 264 C VAL A 18 -17.613 -1.791 3.666 1.00 0.00 C ATOM 265 O VAL A 18 -16.871 -2.137 2.741 1.00 0.00 O ATOM 266 CB VAL A 18 -19.875 -1.055 2.876 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.635 -1.942 3.845 1.00 0.00 C ATOM 268 CG2 VAL A 18 -20.733 0.132 2.464 1.00 0.00 C ATOM 0 H VAL A 18 -17.447 -0.012 1.817 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.763 -0.135 4.459 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.643 -1.631 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.574 -2.257 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -20.034 -2.820 4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.843 -1.387 4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.667 -0.227 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.950 0.745 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -20.197 0.730 1.726 1.00 0.00 H new ATOM 278 N GLU A 19 -17.632 -2.404 4.842 1.00 0.00 N ATOM 279 CA GLU A 19 -16.717 -3.493 5.141 1.00 0.00 C ATOM 280 C GLU A 19 -17.126 -4.762 4.405 1.00 0.00 C ATOM 281 O GLU A 19 -18.307 -4.997 4.150 1.00 0.00 O ATOM 282 CB GLU A 19 -16.638 -3.733 6.645 1.00 0.00 C ATOM 283 CG GLU A 19 -15.681 -4.821 7.014 1.00 0.00 C ATOM 284 CD GLU A 19 -15.587 -5.059 8.505 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.132 -4.153 9.232 1.00 0.00 O ATOM 286 OE2 GLU A 19 -15.970 -6.158 8.958 1.00 0.00 O ATOM 0 H GLU A 19 -18.270 -2.165 5.601 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.724 -3.210 4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.337 -2.809 7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.630 -3.987 7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.987 -5.746 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.692 -4.570 6.631 1.00 0.00 H new ATOM 293 N ILE A 20 -16.135 -5.570 4.057 1.00 0.00 N ATOM 294 CA ILE A 20 -16.339 -6.732 3.206 1.00 0.00 C ATOM 295 C ILE A 20 -15.522 -7.916 3.722 1.00 0.00 C ATOM 296 O ILE A 20 -14.664 -7.760 4.596 1.00 0.00 O ATOM 297 CB ILE A 20 -15.856 -6.457 1.761 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.341 -6.568 1.744 1.00 0.00 C ATOM 299 CG2 ILE A 20 -16.281 -5.080 1.299 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.736 -6.736 0.390 1.00 0.00 C ATOM 0 H ILE A 20 -15.169 -5.438 4.356 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.407 -6.950 3.218 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.302 -7.183 1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.921 -5.674 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -14.047 -7.414 2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.929 -4.913 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.368 -5.008 1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.852 -4.326 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.652 -6.806 0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -14.121 -7.646 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.993 -5.879 -0.232 1.00 0.00 H new ATOM 312 N VAL A 21 -15.806 -9.087 3.179 1.00 0.00 N ATOM 313 CA VAL A 21 -14.882 -10.199 3.226 1.00 0.00 C ATOM 314 C VAL A 21 -14.604 -10.628 1.797 1.00 0.00 C ATOM 315 O VAL A 21 -15.425 -11.273 1.146 1.00 0.00 O ATOM 316 CB VAL A 21 -15.408 -11.396 4.041 1.00 0.00 C ATOM 317 CG1 VAL A 21 -14.359 -12.497 4.115 1.00 0.00 C ATOM 318 CG2 VAL A 21 -15.824 -10.961 5.436 1.00 0.00 C ATOM 0 H VAL A 21 -16.681 -9.290 2.696 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.975 -9.868 3.732 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.287 -11.791 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -14.750 -13.333 4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.115 -12.836 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.460 -12.111 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -16.192 -11.824 5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -14.966 -10.534 5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -16.613 -10.213 5.364 1.00 0.00 H new ATOM 328 N PRO A 22 -13.448 -10.202 1.300 1.00 0.00 N ATOM 329 CA PRO A 22 -13.023 -10.326 -0.097 1.00 0.00 C ATOM 330 C PRO A 22 -13.054 -11.728 -0.687 1.00 0.00 C ATOM 331 O PRO A 22 -13.283 -12.734 -0.014 1.00 0.00 O ATOM 332 CB PRO A 22 -11.571 -9.848 -0.052 1.00 0.00 C ATOM 333 CG PRO A 22 -11.227 -9.843 1.389 1.00 0.00 C ATOM 334 CD PRO A 22 -12.434 -9.493 2.074 1.00 0.00 C ATOM 0 HA PRO A 22 -13.707 -9.765 -0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.916 -10.514 -0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.466 -8.855 -0.489 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.865 -10.820 1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.435 -9.125 1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.419 -9.815 3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.603 -8.416 2.076 1.00 0.00 H new ATOM 342 N ARG A 23 -12.753 -11.744 -1.973 1.00 0.00 N ATOM 343 CA ARG A 23 -12.659 -12.926 -2.777 1.00 0.00 C ATOM 344 C ARG A 23 -11.181 -13.239 -2.940 1.00 0.00 C ATOM 345 O ARG A 23 -10.657 -13.422 -4.033 1.00 0.00 O ATOM 346 CB ARG A 23 -13.384 -12.667 -4.081 1.00 0.00 C ATOM 347 CG ARG A 23 -14.897 -12.785 -3.938 1.00 0.00 C ATOM 348 CD ARG A 23 -15.625 -11.849 -4.865 1.00 0.00 C ATOM 349 NE ARG A 23 -17.077 -11.966 -4.754 1.00 0.00 N ATOM 350 CZ ARG A 23 -17.927 -11.565 -5.698 1.00 0.00 C ATOM 351 NH1 ARG A 23 -17.468 -11.106 -6.857 1.00 0.00 N ATOM 352 NH2 ARG A 23 -19.232 -11.647 -5.494 1.00 0.00 N ATOM 0 H ARG A 23 -12.561 -10.891 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.132 -13.799 -2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.133 -11.670 -4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.037 -13.375 -4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.202 -13.811 -4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.182 -12.570 -2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.329 -10.823 -4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.325 -12.055 -5.893 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.462 -12.379 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.463 -11.060 -7.025 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.121 -10.799 -7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.588 -12.018 -4.613 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.882 -11.340 -6.218 1.00 0.00 H new ATOM 366 N LEU A 24 -10.555 -13.141 -1.772 1.00 0.00 N ATOM 367 CA LEU A 24 -9.143 -13.440 -1.462 1.00 0.00 C ATOM 368 C LEU A 24 -8.265 -13.972 -2.595 1.00 0.00 C ATOM 369 O LEU A 24 -7.226 -13.362 -2.846 1.00 0.00 O ATOM 370 CB LEU A 24 -9.059 -14.381 -0.250 1.00 0.00 C ATOM 371 CG LEU A 24 -8.462 -13.785 1.027 1.00 0.00 C ATOM 372 CD1 LEU A 24 -7.007 -13.416 0.811 1.00 0.00 C ATOM 373 CD2 LEU A 24 -9.262 -12.577 1.480 1.00 0.00 C ATOM 0 H LEU A 24 -11.056 -12.825 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.719 -12.458 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.063 -14.739 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.466 -15.251 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.511 -14.538 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.599 -12.994 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.442 -14.308 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.933 -12.681 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.821 -12.169 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.249 -11.818 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.291 -12.876 1.679 1.00 0.00 H new ATOM 385 N PRO A 25 -8.578 -15.120 -3.245 1.00 0.00 N ATOM 386 CA PRO A 25 -7.815 -15.597 -4.404 1.00 0.00 C ATOM 387 C PRO A 25 -7.869 -14.629 -5.592 1.00 0.00 C ATOM 388 O PRO A 25 -8.051 -15.038 -6.741 1.00 0.00 O ATOM 389 CB PRO A 25 -8.483 -16.925 -4.757 1.00 0.00 C ATOM 390 CG PRO A 25 -9.196 -17.325 -3.520 1.00 0.00 C ATOM 391 CD PRO A 25 -9.635 -16.072 -2.895 1.00 0.00 C ATOM 0 HA PRO A 25 -6.754 -15.690 -4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.173 -16.812 -5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.747 -17.674 -5.050 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.046 -17.968 -3.748 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.541 -17.887 -2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.604 -15.752 -3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.737 -16.178 -1.815 1.00 0.00 H new ATOM 399 N ASP A 26 -7.702 -13.348 -5.289 1.00 0.00 N ATOM 400 CA ASP A 26 -7.836 -12.271 -6.240 1.00 0.00 C ATOM 401 C ASP A 26 -7.634 -10.943 -5.538 1.00 0.00 C ATOM 402 O ASP A 26 -6.979 -10.036 -6.054 1.00 0.00 O ATOM 403 CB ASP A 26 -9.220 -12.278 -6.786 1.00 0.00 C ATOM 404 CG ASP A 26 -9.322 -11.649 -8.164 1.00 0.00 C ATOM 405 OD1 ASP A 26 -9.210 -10.412 -8.277 1.00 0.00 O ATOM 406 OD2 ASP A 26 -9.512 -12.395 -9.146 1.00 0.00 O ATOM 0 H ASP A 26 -7.464 -13.030 -4.350 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.098 -12.402 -7.031 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.579 -13.306 -6.835 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.877 -11.743 -6.100 1.00 0.00 H new ATOM 411 N TYR A 27 -8.224 -10.864 -4.346 1.00 0.00 N ATOM 412 CA TYR A 27 -8.282 -9.636 -3.551 1.00 0.00 C ATOM 413 C TYR A 27 -9.218 -8.640 -4.192 1.00 0.00 C ATOM 414 O TYR A 27 -8.849 -7.518 -4.544 1.00 0.00 O ATOM 415 CB TYR A 27 -6.911 -9.025 -3.312 1.00 0.00 C ATOM 416 CG TYR A 27 -6.028 -9.910 -2.480 1.00 0.00 C ATOM 417 CD1 TYR A 27 -6.189 -9.970 -1.105 1.00 0.00 C ATOM 418 CD2 TYR A 27 -5.046 -10.690 -3.064 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.388 -10.786 -0.334 1.00 0.00 C ATOM 420 CE2 TYR A 27 -4.240 -11.508 -2.302 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.413 -11.552 -0.937 1.00 0.00 C ATOM 422 OH TYR A 27 -3.611 -12.365 -0.171 1.00 0.00 O ATOM 0 H TYR A 27 -8.681 -11.659 -3.899 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.672 -9.906 -2.569 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.429 -8.834 -4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.027 -8.062 -2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.952 -9.370 -0.631 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.909 -10.657 -4.135 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.524 -10.825 0.737 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.477 -12.111 -2.773 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.977 -12.838 -0.750 1.00 0.00 H new ATOM 432 N ILE A 28 -10.439 -9.097 -4.342 1.00 0.00 N ATOM 433 CA ILE A 28 -11.529 -8.290 -4.841 1.00 0.00 C ATOM 434 C ILE A 28 -12.550 -8.121 -3.746 1.00 0.00 C ATOM 435 O ILE A 28 -12.572 -8.881 -2.777 1.00 0.00 O ATOM 436 CB ILE A 28 -12.230 -8.918 -6.067 1.00 0.00 C ATOM 437 CG1 ILE A 28 -11.817 -10.383 -6.206 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.863 -8.145 -7.319 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.802 -11.260 -6.942 1.00 0.00 C ATOM 0 H ILE A 28 -10.708 -10.055 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.107 -7.335 -5.153 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.310 -8.871 -5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.859 -10.426 -6.723 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.660 -10.796 -5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.359 -8.591 -8.181 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.182 -7.108 -7.213 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.783 -8.179 -7.464 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.418 -12.279 -6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.757 -11.255 -6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.943 -10.880 -7.954 1.00 0.00 H new ATOM 451 N CYS A 29 -13.411 -7.161 -3.925 1.00 0.00 N ATOM 452 CA CYS A 29 -14.454 -6.886 -2.973 1.00 0.00 C ATOM 453 C CYS A 29 -15.707 -7.601 -3.451 1.00 0.00 C ATOM 454 O CYS A 29 -15.934 -7.732 -4.638 1.00 0.00 O ATOM 455 CB CYS A 29 -14.628 -5.363 -2.905 1.00 0.00 C ATOM 456 SG CYS A 29 -16.175 -4.731 -2.209 1.00 0.00 S ATOM 0 H CYS A 29 -13.411 -6.544 -4.737 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.225 -7.243 -1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.804 -4.956 -2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -14.527 -4.967 -3.915 1.00 0.00 H new ATOM 461 N PRO A 30 -16.511 -8.111 -2.532 1.00 0.00 N ATOM 462 CA PRO A 30 -17.682 -8.901 -2.863 1.00 0.00 C ATOM 463 C PRO A 30 -18.797 -7.960 -3.218 1.00 0.00 C ATOM 464 O PRO A 30 -19.752 -8.296 -3.916 1.00 0.00 O ATOM 465 CB PRO A 30 -17.982 -9.618 -1.546 1.00 0.00 C ATOM 466 CG PRO A 30 -17.566 -8.626 -0.510 1.00 0.00 C ATOM 467 CD PRO A 30 -16.392 -7.889 -1.097 1.00 0.00 C ATOM 0 HA PRO A 30 -17.553 -9.589 -3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -19.038 -9.872 -1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.422 -10.549 -1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.380 -7.941 -0.275 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.290 -9.124 0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.427 -6.827 -0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.448 -8.273 -0.712 1.00 0.00 H new ATOM 475 N ARG A 31 -18.634 -6.756 -2.704 1.00 0.00 N ATOM 476 CA ARG A 31 -19.630 -5.726 -2.855 1.00 0.00 C ATOM 477 C ARG A 31 -19.469 -4.870 -4.106 1.00 0.00 C ATOM 478 O ARG A 31 -20.322 -4.039 -4.403 1.00 0.00 O ATOM 479 CB ARG A 31 -19.699 -4.915 -1.608 1.00 0.00 C ATOM 480 CG ARG A 31 -20.288 -5.782 -0.546 1.00 0.00 C ATOM 481 CD ARG A 31 -20.658 -5.047 0.730 1.00 0.00 C ATOM 482 NE ARG A 31 -21.695 -5.769 1.475 1.00 0.00 N ATOM 483 CZ ARG A 31 -21.855 -5.717 2.798 1.00 0.00 C ATOM 484 NH1 ARG A 31 -20.989 -5.062 3.555 1.00 0.00 N ATOM 485 NH2 ARG A 31 -22.874 -6.348 3.366 1.00 0.00 N ATOM 0 H ARG A 31 -17.811 -6.471 -2.174 1.00 0.00 H new ATOM 0 HA ARG A 31 -20.587 -6.225 -3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.706 -4.572 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -20.311 -4.026 -1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -21.180 -6.267 -0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -19.577 -6.572 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -19.773 -4.929 1.355 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -21.012 -4.045 0.486 1.00 0.00 H new ATOM 0 HE ARG A 31 -22.340 -6.353 0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -20.191 -4.592 3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -21.119 -5.028 4.566 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -23.534 -6.872 2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.998 -6.309 4.378 1.00 0.00 H new ATOM 499 N CYS A 32 -18.383 -5.068 -4.841 1.00 0.00 N ATOM 500 CA CYS A 32 -18.243 -4.422 -6.148 1.00 0.00 C ATOM 501 C CYS A 32 -17.284 -5.171 -7.076 1.00 0.00 C ATOM 502 O CYS A 32 -17.264 -4.919 -8.282 1.00 0.00 O ATOM 503 CB CYS A 32 -17.796 -2.961 -6.002 1.00 0.00 C ATOM 504 SG CYS A 32 -16.153 -2.739 -5.279 1.00 0.00 S ATOM 0 H CYS A 32 -17.598 -5.658 -4.566 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.232 -4.448 -6.606 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -17.811 -2.491 -6.985 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -18.523 -2.433 -5.385 1.00 0.00 H new ATOM 509 N GLU A 33 -16.493 -6.097 -6.515 1.00 0.00 N ATOM 510 CA GLU A 33 -15.487 -6.841 -7.278 1.00 0.00 C ATOM 511 C GLU A 33 -14.432 -5.911 -7.881 1.00 0.00 C ATOM 512 O GLU A 33 -13.770 -6.245 -8.861 1.00 0.00 O ATOM 513 CB GLU A 33 -16.129 -7.705 -8.358 1.00 0.00 C ATOM 514 CG GLU A 33 -15.251 -8.869 -8.774 1.00 0.00 C ATOM 515 CD GLU A 33 -15.765 -9.588 -9.999 1.00 0.00 C ATOM 516 OE1 GLU A 33 -15.392 -9.195 -11.121 1.00 0.00 O ATOM 517 OE2 GLU A 33 -16.540 -10.554 -9.843 1.00 0.00 O ATOM 0 H GLU A 33 -16.534 -6.348 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.982 -7.504 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.083 -8.087 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.345 -7.088 -9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.243 -8.504 -8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.179 -9.576 -7.948 1.00 0.00 H new ATOM 524 N SER A 34 -14.284 -4.738 -7.295 1.00 0.00 N ATOM 525 CA SER A 34 -13.145 -3.898 -7.585 1.00 0.00 C ATOM 526 C SER A 34 -12.083 -4.129 -6.525 1.00 0.00 C ATOM 527 O SER A 34 -12.413 -4.316 -5.350 1.00 0.00 O ATOM 528 CB SER A 34 -13.547 -2.450 -7.636 1.00 0.00 C ATOM 529 OG SER A 34 -14.432 -2.189 -8.713 1.00 0.00 O ATOM 0 H SER A 34 -14.939 -4.349 -6.617 1.00 0.00 H new ATOM 0 HA SER A 34 -12.742 -4.158 -8.564 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.025 -2.172 -6.697 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.657 -1.829 -7.737 1.00 0.00 H new ATOM 0 HG SER A 34 -14.674 -1.239 -8.715 1.00 0.00 H new ATOM 535 N GLY A 35 -10.821 -4.141 -6.926 1.00 0.00 N ATOM 536 CA GLY A 35 -9.753 -4.406 -5.979 1.00 0.00 C ATOM 537 C GLY A 35 -9.376 -3.171 -5.189 1.00 0.00 C ATOM 538 O GLY A 35 -8.207 -2.795 -5.111 1.00 0.00 O ATOM 0 H GLY A 35 -10.516 -3.973 -7.885 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.064 -5.194 -5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.878 -4.776 -6.514 1.00 0.00 H new ATOM 542 N PHE A 36 -10.377 -2.540 -4.601 1.00 0.00 N ATOM 543 CA PHE A 36 -10.176 -1.337 -3.817 1.00 0.00 C ATOM 544 C PHE A 36 -10.355 -1.636 -2.334 1.00 0.00 C ATOM 545 O PHE A 36 -11.013 -0.887 -1.614 1.00 0.00 O ATOM 546 CB PHE A 36 -11.151 -0.242 -4.261 1.00 0.00 C ATOM 547 CG PHE A 36 -10.847 0.327 -5.620 1.00 0.00 C ATOM 548 CD1 PHE A 36 -9.613 0.899 -5.878 1.00 0.00 C ATOM 549 CD2 PHE A 36 -11.794 0.312 -6.629 1.00 0.00 C ATOM 550 CE1 PHE A 36 -9.324 1.442 -7.115 1.00 0.00 C ATOM 551 CE2 PHE A 36 -11.512 0.850 -7.872 1.00 0.00 C ATOM 552 CZ PHE A 36 -10.275 1.417 -8.114 1.00 0.00 C ATOM 0 H PHE A 36 -11.348 -2.847 -4.654 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.158 -0.982 -3.980 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.162 -0.649 -4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.135 0.564 -3.528 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.864 0.921 -5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -12.764 -0.125 -6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.356 1.885 -7.299 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -12.258 0.827 -8.653 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.053 1.839 -9.083 1.00 0.00 H new ATOM 562 N ILE A 37 -9.752 -2.729 -1.891 1.00 0.00 N ATOM 563 CA ILE A 37 -9.869 -3.170 -0.508 1.00 0.00 C ATOM 564 C ILE A 37 -8.547 -3.086 0.226 1.00 0.00 C ATOM 565 O ILE A 37 -7.495 -3.334 -0.360 1.00 0.00 O ATOM 566 CB ILE A 37 -10.350 -4.621 -0.415 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.586 -5.557 -1.357 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.809 -4.683 -0.700 1.00 0.00 C ATOM 569 CD1 ILE A 37 -10.132 -6.974 -1.365 1.00 0.00 C ATOM 0 H ILE A 37 -9.172 -3.332 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.596 -2.500 -0.048 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.154 -4.966 0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.625 -5.154 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.537 -5.581 -1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.149 -5.716 -0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.348 -4.076 0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.000 -4.302 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.547 -7.585 -2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.068 -7.394 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.173 -6.961 -1.688 1.00 0.00 H new ATOM 581 N GLU A 38 -8.603 -2.734 1.498 1.00 0.00 N ATOM 582 CA GLU A 38 -7.469 -2.920 2.386 1.00 0.00 C ATOM 583 C GLU A 38 -7.871 -3.823 3.540 1.00 0.00 C ATOM 584 O GLU A 38 -9.039 -3.867 3.932 1.00 0.00 O ATOM 585 CB GLU A 38 -6.917 -1.591 2.924 1.00 0.00 C ATOM 586 CG GLU A 38 -7.941 -0.694 3.591 1.00 0.00 C ATOM 587 CD GLU A 38 -8.496 0.369 2.665 1.00 0.00 C ATOM 588 OE1 GLU A 38 -9.507 0.107 1.992 1.00 0.00 O ATOM 589 OE2 GLU A 38 -7.921 1.480 2.622 1.00 0.00 O ATOM 0 H GLU A 38 -9.422 -2.317 1.940 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.671 -3.384 1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.125 -1.808 3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.460 -1.044 2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.762 -1.306 3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.484 -0.212 4.455 1.00 0.00 H new ATOM 596 N GLU A 39 -6.909 -4.573 4.050 1.00 0.00 N ATOM 597 CA GLU A 39 -7.145 -5.442 5.188 1.00 0.00 C ATOM 598 C GLU A 39 -7.080 -4.630 6.473 1.00 0.00 C ATOM 599 O GLU A 39 -6.167 -3.826 6.666 1.00 0.00 O ATOM 600 CB GLU A 39 -6.108 -6.563 5.219 1.00 0.00 C ATOM 601 CG GLU A 39 -6.275 -7.523 6.359 1.00 0.00 C ATOM 602 CD GLU A 39 -5.046 -8.370 6.581 1.00 0.00 C ATOM 603 OE1 GLU A 39 -4.147 -7.930 7.327 1.00 0.00 O ATOM 604 OE2 GLU A 39 -4.962 -9.472 6.002 1.00 0.00 O ATOM 0 H GLU A 39 -5.954 -4.597 3.692 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.135 -5.888 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.160 -7.117 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.113 -6.121 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.499 -6.967 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.129 -8.171 6.163 1.00 0.00 H new ATOM 611 N LEU A 40 -8.050 -4.845 7.342 1.00 0.00 N ATOM 612 CA LEU A 40 -8.162 -4.087 8.578 1.00 0.00 C ATOM 613 C LEU A 40 -7.195 -4.627 9.621 1.00 0.00 C ATOM 614 O LEU A 40 -6.222 -3.919 9.952 1.00 0.00 O ATOM 615 CB LEU A 40 -9.606 -4.129 9.093 1.00 0.00 C ATOM 616 CG LEU A 40 -10.602 -3.175 8.400 1.00 0.00 C ATOM 617 CD1 LEU A 40 -10.138 -2.785 7.005 1.00 0.00 C ATOM 618 CD2 LEU A 40 -11.975 -3.822 8.315 1.00 0.00 C ATOM 619 OXT LEU A 40 -7.390 -5.775 10.075 1.00 0.00 O ATOM 0 H LEU A 40 -8.780 -5.546 7.214 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.899 -3.048 8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.978 -5.148 8.989 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.597 -3.901 10.159 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.656 -2.269 9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.868 -2.113 6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.173 -2.282 7.070 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.040 -3.680 6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.669 -3.140 7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.907 -4.746 7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.335 -4.045 9.319 1.00 0.00 H new TER 631 LEU A 40 ATOM 632 N MET C 2 13.956 -17.815 -2.278 1.00 0.00 N ATOM 633 CA MET C 2 13.839 -18.323 -0.895 1.00 0.00 C ATOM 634 C MET C 2 14.964 -19.313 -0.621 1.00 0.00 C ATOM 635 O MET C 2 14.795 -20.523 -0.774 1.00 0.00 O ATOM 636 CB MET C 2 12.470 -18.990 -0.695 1.00 0.00 C ATOM 637 CG MET C 2 12.017 -19.097 0.759 1.00 0.00 C ATOM 638 SD MET C 2 13.057 -20.177 1.764 1.00 0.00 S ATOM 639 CE MET C 2 12.163 -20.160 3.316 1.00 0.00 C ATOM 0 HA MET C 2 13.922 -17.493 -0.193 1.00 0.00 H new ATOM 0 HB2 MET C 2 11.722 -18.427 -1.253 1.00 0.00 H new ATOM 0 HB3 MET C 2 12.503 -19.991 -1.125 1.00 0.00 H new ATOM 0 HG2 MET C 2 12.008 -18.101 1.202 1.00 0.00 H new ATOM 0 HG3 MET C 2 10.992 -19.467 0.785 1.00 0.00 H new ATOM 0 HE1 MET C 2 12.683 -20.785 4.042 1.00 0.00 H new ATOM 0 HE2 MET C 2 12.105 -19.138 3.691 1.00 0.00 H new ATOM 0 HE3 MET C 2 11.156 -20.547 3.160 1.00 0.00 H new ATOM 651 N ALA C 3 16.121 -18.786 -0.239 1.00 0.00 N ATOM 652 CA ALA C 3 17.282 -19.611 0.060 1.00 0.00 C ATOM 653 C ALA C 3 18.234 -18.872 0.987 1.00 0.00 C ATOM 654 O ALA C 3 18.527 -19.336 2.090 1.00 0.00 O ATOM 655 CB ALA C 3 17.997 -20.017 -1.222 1.00 0.00 C ATOM 0 H ALA C 3 16.279 -17.784 -0.129 1.00 0.00 H new ATOM 0 HA ALA C 3 16.940 -20.515 0.563 1.00 0.00 H new ATOM 0 HB1 ALA C 3 18.862 -20.633 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA C 3 17.315 -20.585 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA C 3 18.327 -19.124 -1.753 1.00 0.00 H new ATOM 661 N HIS C 4 18.701 -17.710 0.543 1.00 0.00 N ATOM 662 CA HIS C 4 19.633 -16.920 1.337 1.00 0.00 C ATOM 663 C HIS C 4 18.898 -16.183 2.447 1.00 0.00 C ATOM 664 O HIS C 4 17.913 -15.486 2.207 1.00 0.00 O ATOM 665 CB HIS C 4 20.429 -15.929 0.467 1.00 0.00 C ATOM 666 CG HIS C 4 19.616 -14.841 -0.174 1.00 0.00 C ATOM 667 ND1 HIS C 4 19.497 -13.575 0.358 1.00 0.00 N ATOM 668 CD2 HIS C 4 18.902 -14.830 -1.322 1.00 0.00 C ATOM 669 CE1 HIS C 4 18.747 -12.835 -0.437 1.00 0.00 C ATOM 670 NE2 HIS C 4 18.373 -13.572 -1.463 1.00 0.00 N ATOM 0 H HIS C 4 18.451 -17.297 -0.356 1.00 0.00 H new ATOM 0 HA HIS C 4 20.347 -17.610 1.785 1.00 0.00 H new ATOM 0 HB2 HIS C 4 21.200 -15.468 1.084 1.00 0.00 H new ATOM 0 HB3 HIS C 4 20.940 -16.488 -0.317 1.00 0.00 H new ATOM 0 HD2 HIS C 4 18.772 -15.659 -2.002 1.00 0.00 H new ATOM 0 HE1 HIS C 4 18.484 -11.800 -0.274 1.00 0.00 H new ATOM 0 HE2 HIS C 4 17.786 -13.258 -2.236 1.00 0.00 H new ATOM 679 N HIS C 5 19.366 -16.372 3.665 1.00 0.00 N ATOM 680 CA HIS C 5 18.810 -15.686 4.817 1.00 0.00 C ATOM 681 C HIS C 5 19.948 -15.177 5.680 1.00 0.00 C ATOM 682 O HIS C 5 20.536 -15.940 6.447 1.00 0.00 O ATOM 683 CB HIS C 5 17.895 -16.612 5.626 1.00 0.00 C ATOM 684 CG HIS C 5 16.707 -17.099 4.855 1.00 0.00 C ATOM 685 ND1 HIS C 5 16.588 -18.389 4.392 1.00 0.00 N ATOM 686 CD2 HIS C 5 15.589 -16.454 4.452 1.00 0.00 C ATOM 687 CE1 HIS C 5 15.450 -18.517 3.738 1.00 0.00 C ATOM 688 NE2 HIS C 5 14.823 -17.356 3.756 1.00 0.00 N ATOM 0 H HIS C 5 20.138 -17.001 3.885 1.00 0.00 H new ATOM 0 HA HIS C 5 18.203 -14.848 4.474 1.00 0.00 H new ATOM 0 HB2 HIS C 5 18.472 -17.470 5.970 1.00 0.00 H new ATOM 0 HB3 HIS C 5 17.550 -16.083 6.515 1.00 0.00 H new ATOM 0 HD2 HIS C 5 15.344 -15.420 4.643 1.00 0.00 H new ATOM 0 HE1 HIS C 5 15.091 -19.420 3.267 1.00 0.00 H new ATOM 0 HE2 HIS C 5 13.920 -17.161 3.325 1.00 0.00 H new ATOM 697 N HIS C 6 20.266 -13.893 5.512 1.00 0.00 N ATOM 698 CA HIS C 6 21.426 -13.261 6.147 1.00 0.00 C ATOM 699 C HIS C 6 22.722 -13.724 5.488 1.00 0.00 C ATOM 700 O HIS C 6 23.520 -12.909 5.033 1.00 0.00 O ATOM 701 CB HIS C 6 21.465 -13.513 7.661 1.00 0.00 C ATOM 702 CG HIS C 6 20.471 -12.695 8.427 1.00 0.00 C ATOM 703 ND1 HIS C 6 20.835 -11.708 9.313 1.00 0.00 N ATOM 704 CD2 HIS C 6 19.117 -12.714 8.424 1.00 0.00 C ATOM 705 CE1 HIS C 6 19.753 -11.153 9.820 1.00 0.00 C ATOM 706 NE2 HIS C 6 18.694 -11.744 9.299 1.00 0.00 N ATOM 0 H HIS C 6 19.723 -13.257 4.928 1.00 0.00 H new ATOM 0 HA HIS C 6 21.326 -12.185 6.002 1.00 0.00 H new ATOM 0 HB2 HIS C 6 21.278 -14.570 7.851 1.00 0.00 H new ATOM 0 HB3 HIS C 6 22.466 -13.295 8.032 1.00 0.00 H new ATOM 0 HD2 HIS C 6 18.487 -13.370 7.842 1.00 0.00 H new ATOM 0 HE1 HIS C 6 19.735 -10.349 10.541 1.00 0.00 H new ATOM 0 HE2 HIS C 6 17.722 -11.518 9.511 1.00 0.00 H new ATOM 715 N HIS C 7 22.921 -15.032 5.424 1.00 0.00 N ATOM 716 CA HIS C 7 24.078 -15.597 4.747 1.00 0.00 C ATOM 717 C HIS C 7 23.860 -15.512 3.237 1.00 0.00 C ATOM 718 O HIS C 7 22.734 -15.688 2.769 1.00 0.00 O ATOM 719 CB HIS C 7 24.288 -17.048 5.195 1.00 0.00 C ATOM 720 CG HIS C 7 25.654 -17.595 4.903 1.00 0.00 C ATOM 721 ND1 HIS C 7 25.866 -18.851 4.380 1.00 0.00 N ATOM 722 CD2 HIS C 7 26.884 -17.062 5.105 1.00 0.00 C ATOM 723 CE1 HIS C 7 27.163 -19.068 4.272 1.00 0.00 C ATOM 724 NE2 HIS C 7 27.802 -18.001 4.706 1.00 0.00 N ATOM 0 H HIS C 7 22.294 -15.724 5.834 1.00 0.00 H new ATOM 0 HA HIS C 7 24.975 -15.034 5.005 1.00 0.00 H new ATOM 0 HB2 HIS C 7 24.105 -17.114 6.267 1.00 0.00 H new ATOM 0 HB3 HIS C 7 23.545 -17.678 4.705 1.00 0.00 H new ATOM 0 HD2 HIS C 7 27.101 -16.082 5.505 1.00 0.00 H new ATOM 0 HE1 HIS C 7 27.623 -19.968 3.892 1.00 0.00 H new ATOM 0 HE2 HIS C 7 28.815 -17.890 4.740 1.00 0.00 H new ATOM 733 N HIS C 8 24.936 -15.236 2.495 1.00 0.00 N ATOM 734 CA HIS C 8 24.871 -14.989 1.050 1.00 0.00 C ATOM 735 C HIS C 8 24.264 -13.619 0.768 1.00 0.00 C ATOM 736 O HIS C 8 23.106 -13.507 0.354 1.00 0.00 O ATOM 737 CB HIS C 8 24.083 -16.073 0.298 1.00 0.00 C ATOM 738 CG HIS C 8 24.814 -17.368 0.126 1.00 0.00 C ATOM 739 ND1 HIS C 8 24.385 -18.550 0.686 1.00 0.00 N ATOM 740 CD2 HIS C 8 25.929 -17.673 -0.581 1.00 0.00 C ATOM 741 CE1 HIS C 8 25.202 -19.523 0.332 1.00 0.00 C ATOM 742 NE2 HIS C 8 26.147 -19.019 -0.437 1.00 0.00 N ATOM 0 H HIS C 8 25.879 -15.177 2.879 1.00 0.00 H new ATOM 0 HA HIS C 8 25.897 -15.018 0.683 1.00 0.00 H new ATOM 0 HB2 HIS C 8 23.153 -16.264 0.833 1.00 0.00 H new ATOM 0 HB3 HIS C 8 23.812 -15.690 -0.686 1.00 0.00 H new ATOM 0 HD2 HIS C 8 26.534 -16.984 -1.152 1.00 0.00 H new ATOM 0 HE1 HIS C 8 25.112 -20.559 0.623 1.00 0.00 H new ATOM 0 HE2 HIS C 8 26.914 -19.544 -0.856 1.00 0.00 H new ATOM 751 N HIS C 9 25.057 -12.576 0.993 1.00 0.00 N ATOM 752 CA HIS C 9 24.625 -11.204 0.733 1.00 0.00 C ATOM 753 C HIS C 9 24.691 -10.897 -0.761 1.00 0.00 C ATOM 754 O HIS C 9 25.461 -10.038 -1.200 1.00 0.00 O ATOM 755 CB HIS C 9 25.493 -10.200 1.503 1.00 0.00 C ATOM 756 CG HIS C 9 25.379 -10.303 2.992 1.00 0.00 C ATOM 757 ND1 HIS C 9 26.442 -10.617 3.808 1.00 0.00 N ATOM 758 CD2 HIS C 9 24.323 -10.110 3.814 1.00 0.00 C ATOM 759 CE1 HIS C 9 26.046 -10.615 5.064 1.00 0.00 C ATOM 760 NE2 HIS C 9 24.762 -10.309 5.099 1.00 0.00 N ATOM 0 H HIS C 9 26.007 -12.654 1.357 1.00 0.00 H new ATOM 0 HA HIS C 9 23.594 -11.109 1.074 1.00 0.00 H new ATOM 0 HB2 HIS C 9 26.535 -10.346 1.219 1.00 0.00 H new ATOM 0 HB3 HIS C 9 25.218 -9.190 1.198 1.00 0.00 H new ATOM 0 HD2 HIS C 9 23.319 -9.848 3.515 1.00 0.00 H new ATOM 0 HE1 HIS C 9 26.667 -10.828 5.921 1.00 0.00 H new ATOM 0 HE2 HIS C 9 24.191 -10.233 5.941 1.00 0.00 H new ATOM 769 N VAL C 10 23.887 -11.605 -1.536 1.00 0.00 N ATOM 770 CA VAL C 10 23.864 -11.432 -2.978 1.00 0.00 C ATOM 771 C VAL C 10 22.797 -10.429 -3.386 1.00 0.00 C ATOM 772 O VAL C 10 21.834 -10.181 -2.655 1.00 0.00 O ATOM 773 CB VAL C 10 23.635 -12.779 -3.704 1.00 0.00 C ATOM 774 CG1 VAL C 10 22.347 -13.441 -3.238 1.00 0.00 C ATOM 775 CG2 VAL C 10 23.639 -12.626 -5.221 1.00 0.00 C ATOM 0 H VAL C 10 23.237 -12.310 -1.187 1.00 0.00 H new ATOM 0 HA VAL C 10 24.839 -11.046 -3.276 1.00 0.00 H new ATOM 0 HB VAL C 10 24.473 -13.424 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL C 10 22.212 -14.386 -3.765 1.00 0.00 H new ATOM 0 HG12 VAL C 10 22.402 -13.628 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL C 10 21.503 -12.784 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL C 10 23.475 -13.598 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL C 10 22.844 -11.942 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL C 10 24.601 -12.228 -5.544 1.00 0.00 H new ATOM 785 N ASP C 11 22.998 -9.857 -4.551 1.00 0.00 N ATOM 786 CA ASP C 11 22.073 -8.887 -5.116 1.00 0.00 C ATOM 787 C ASP C 11 21.781 -9.251 -6.567 1.00 0.00 C ATOM 788 O ASP C 11 22.169 -8.550 -7.502 1.00 0.00 O ATOM 789 CB ASP C 11 22.639 -7.465 -5.005 1.00 0.00 C ATOM 790 CG ASP C 11 21.730 -6.417 -5.625 1.00 0.00 C ATOM 791 OD1 ASP C 11 20.529 -6.382 -5.289 1.00 0.00 O ATOM 792 OD2 ASP C 11 22.222 -5.620 -6.453 1.00 0.00 O ATOM 0 H ASP C 11 23.809 -10.048 -5.140 1.00 0.00 H new ATOM 0 HA ASP C 11 21.140 -8.911 -4.553 1.00 0.00 H new ATOM 0 HB2 ASP C 11 22.799 -7.224 -3.954 1.00 0.00 H new ATOM 0 HB3 ASP C 11 23.613 -7.428 -5.492 1.00 0.00 H new ATOM 797 N ASP C 12 21.123 -10.383 -6.745 1.00 0.00 N ATOM 798 CA ASP C 12 20.726 -10.851 -8.066 1.00 0.00 C ATOM 799 C ASP C 12 19.461 -10.130 -8.518 1.00 0.00 C ATOM 800 O ASP C 12 18.403 -10.739 -8.691 1.00 0.00 O ATOM 801 CB ASP C 12 20.513 -12.372 -8.045 1.00 0.00 C ATOM 802 CG ASP C 12 19.524 -12.819 -6.982 1.00 0.00 C ATOM 803 OD1 ASP C 12 19.854 -12.731 -5.777 1.00 0.00 O ATOM 804 OD2 ASP C 12 18.414 -13.256 -7.342 1.00 0.00 O ATOM 0 H ASP C 12 20.849 -11.003 -5.983 1.00 0.00 H new ATOM 0 HA ASP C 12 21.520 -10.627 -8.778 1.00 0.00 H new ATOM 0 HB2 ASP C 12 20.158 -12.697 -9.023 1.00 0.00 H new ATOM 0 HB3 ASP C 12 21.470 -12.865 -7.873 1.00 0.00 H new ATOM 809 N ASP C 13 19.585 -8.818 -8.716 1.00 0.00 N ATOM 810 CA ASP C 13 18.440 -7.955 -8.988 1.00 0.00 C ATOM 811 C ASP C 13 17.472 -8.011 -7.816 1.00 0.00 C ATOM 812 O ASP C 13 16.255 -8.097 -7.991 1.00 0.00 O ATOM 813 CB ASP C 13 17.732 -8.330 -10.299 1.00 0.00 C ATOM 814 CG ASP C 13 18.520 -7.924 -11.530 1.00 0.00 C ATOM 815 OD1 ASP C 13 18.399 -6.757 -11.966 1.00 0.00 O ATOM 816 OD2 ASP C 13 19.264 -8.766 -12.073 1.00 0.00 O ATOM 0 H ASP C 13 20.479 -8.327 -8.692 1.00 0.00 H new ATOM 0 HA ASP C 13 18.805 -6.935 -9.109 1.00 0.00 H new ATOM 0 HB2 ASP C 13 17.563 -9.407 -10.320 1.00 0.00 H new ATOM 0 HB3 ASP C 13 16.752 -7.853 -10.327 1.00 0.00 H new ATOM 821 N ASP C 14 18.040 -7.993 -6.615 1.00 0.00 N ATOM 822 CA ASP C 14 17.263 -7.989 -5.387 1.00 0.00 C ATOM 823 C ASP C 14 16.705 -6.601 -5.147 1.00 0.00 C ATOM 824 O ASP C 14 15.491 -6.409 -5.036 1.00 0.00 O ATOM 825 CB ASP C 14 18.154 -8.411 -4.216 1.00 0.00 C ATOM 826 CG ASP C 14 17.485 -8.243 -2.861 1.00 0.00 C ATOM 827 OD1 ASP C 14 16.637 -9.087 -2.506 1.00 0.00 O ATOM 828 OD2 ASP C 14 17.817 -7.277 -2.138 1.00 0.00 O ATOM 0 H ASP C 14 19.049 -7.981 -6.469 1.00 0.00 H new ATOM 0 HA ASP C 14 16.436 -8.694 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP C 14 18.441 -9.454 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP C 14 19.071 -7.823 -4.236 1.00 0.00 H new ATOM 833 N LYS C 15 17.606 -5.634 -5.095 1.00 0.00 N ATOM 834 CA LYS C 15 17.234 -4.249 -4.904 1.00 0.00 C ATOM 835 C LYS C 15 16.669 -3.657 -6.190 1.00 0.00 C ATOM 836 O LYS C 15 16.585 -4.346 -7.208 1.00 0.00 O ATOM 837 CB LYS C 15 18.450 -3.471 -4.442 1.00 0.00 C ATOM 838 CG LYS C 15 19.110 -4.160 -3.278 1.00 0.00 C ATOM 839 CD LYS C 15 20.480 -3.590 -2.972 1.00 0.00 C ATOM 840 CE LYS C 15 21.271 -4.517 -2.065 1.00 0.00 C ATOM 841 NZ LYS C 15 20.492 -4.929 -0.868 1.00 0.00 N ATOM 0 H LYS C 15 18.610 -5.789 -5.184 1.00 0.00 H new ATOM 0 HA LYS C 15 16.455 -4.186 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS C 15 19.160 -3.374 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS C 15 18.155 -2.462 -4.154 1.00 0.00 H new ATOM 0 HG2 LYS C 15 18.475 -4.067 -2.397 1.00 0.00 H new ATOM 0 HG3 LYS C 15 19.202 -5.224 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS C 15 21.027 -3.433 -3.902 1.00 0.00 H new ATOM 0 HD3 LYS C 15 20.373 -2.615 -2.496 1.00 0.00 H new ATOM 0 HE2 LYS C 15 21.569 -5.403 -2.625 1.00 0.00 H new ATOM 0 HE3 LYS C 15 22.186 -4.018 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS C 15 21.133 -5.036 -0.056 1.00 0.00 H new ATOM 0 HZ2 LYS C 15 19.778 -4.204 -0.652 1.00 0.00 H new ATOM 0 HZ3 LYS C 15 20.019 -5.836 -1.057 1.00 0.00 H new ATOM 855 N MET C 16 16.310 -2.377 -6.137 1.00 0.00 N ATOM 856 CA MET C 16 15.710 -1.680 -7.278 1.00 0.00 C ATOM 857 C MET C 16 14.414 -2.357 -7.702 1.00 0.00 C ATOM 858 O MET C 16 14.396 -3.182 -8.614 1.00 0.00 O ATOM 859 CB MET C 16 16.685 -1.597 -8.458 1.00 0.00 C ATOM 860 CG MET C 16 17.978 -0.868 -8.128 1.00 0.00 C ATOM 861 SD MET C 16 17.692 0.776 -7.441 1.00 0.00 S ATOM 862 CE MET C 16 19.376 1.313 -7.146 1.00 0.00 C ATOM 0 H MET C 16 16.425 -1.794 -5.308 1.00 0.00 H new ATOM 0 HA MET C 16 15.482 -0.662 -6.961 1.00 0.00 H new ATOM 0 HB2 MET C 16 16.922 -2.606 -8.794 1.00 0.00 H new ATOM 0 HB3 MET C 16 16.194 -1.091 -9.289 1.00 0.00 H new ATOM 0 HG2 MET C 16 18.553 -1.460 -7.416 1.00 0.00 H new ATOM 0 HG3 MET C 16 18.582 -0.780 -9.031 1.00 0.00 H new ATOM 0 HE1 MET C 16 19.369 2.316 -6.720 1.00 0.00 H new ATOM 0 HE2 MET C 16 19.860 0.627 -6.451 1.00 0.00 H new ATOM 0 HE3 MET C 16 19.925 1.323 -8.088 1.00 0.00 H new ATOM 872 N LEU C 17 13.333 -2.008 -7.024 1.00 0.00 N ATOM 873 CA LEU C 17 12.025 -2.554 -7.339 1.00 0.00 C ATOM 874 C LEU C 17 11.223 -1.537 -8.120 1.00 0.00 C ATOM 875 O LEU C 17 11.227 -0.350 -7.788 1.00 0.00 O ATOM 876 CB LEU C 17 11.245 -2.879 -6.090 1.00 0.00 C ATOM 877 CG LEU C 17 12.044 -3.176 -4.832 1.00 0.00 C ATOM 878 CD1 LEU C 17 11.161 -2.966 -3.630 1.00 0.00 C ATOM 879 CD2 LEU C 17 12.572 -4.594 -4.830 1.00 0.00 C ATOM 0 H LEU C 17 13.337 -1.346 -6.248 1.00 0.00 H new ATOM 0 HA LEU C 17 12.185 -3.464 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.581 -2.041 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU C 17 10.613 -3.742 -6.301 1.00 0.00 H new ATOM 0 HG LEU C 17 12.899 -2.501 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU C 17 11.726 -3.177 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU C 17 10.814 -1.933 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU C 17 10.303 -3.636 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU C 17 13.138 -4.770 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.737 -5.293 -4.880 1.00 0.00 H new ATOM 0 HD23 LEU C 17 13.221 -4.742 -5.693 1.00 0.00 H new ATOM 891 N GLU C 18 10.522 -1.989 -9.137 1.00 0.00 N ATOM 892 CA GLU C 18 9.608 -1.133 -9.836 1.00 0.00 C ATOM 893 C GLU C 18 8.284 -1.128 -9.119 1.00 0.00 C ATOM 894 O GLU C 18 7.466 -2.034 -9.271 1.00 0.00 O ATOM 895 CB GLU C 18 9.447 -1.595 -11.264 1.00 0.00 C ATOM 896 CG GLU C 18 10.337 -0.875 -12.257 1.00 0.00 C ATOM 897 CD GLU C 18 10.033 -1.240 -13.691 1.00 0.00 C ATOM 898 OE1 GLU C 18 10.485 -2.309 -14.153 1.00 0.00 O ATOM 899 OE2 GLU C 18 9.359 -0.445 -14.376 1.00 0.00 O ATOM 0 H GLU C 18 10.572 -2.944 -9.493 1.00 0.00 H new ATOM 0 HA GLU C 18 10.002 -0.117 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU C 18 9.657 -2.663 -11.314 1.00 0.00 H new ATOM 0 HB3 GLU C 18 8.407 -1.461 -11.562 1.00 0.00 H new ATOM 0 HG2 GLU C 18 10.220 0.201 -12.129 1.00 0.00 H new ATOM 0 HG3 GLU C 18 11.379 -1.110 -12.041 1.00 0.00 H new ATOM 906 N VAL C 19 8.093 -0.102 -8.327 1.00 0.00 N ATOM 907 CA VAL C 19 6.931 -0.001 -7.487 1.00 0.00 C ATOM 908 C VAL C 19 5.732 0.470 -8.279 1.00 0.00 C ATOM 909 O VAL C 19 5.407 1.643 -8.339 1.00 0.00 O ATOM 910 CB VAL C 19 7.229 0.923 -6.307 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.967 1.423 -5.629 1.00 0.00 C ATOM 912 CG2 VAL C 19 8.044 0.178 -5.304 1.00 0.00 C ATOM 0 H VAL C 19 8.739 0.684 -8.248 1.00 0.00 H new ATOM 0 HA VAL C 19 6.685 -0.988 -7.095 1.00 0.00 H new ATOM 0 HB VAL C 19 7.766 1.789 -6.695 1.00 0.00 H new ATOM 0 HG11 VAL C 19 6.235 2.075 -4.798 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.364 1.979 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.394 0.574 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL C 19 8.262 0.829 -4.457 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.488 -0.693 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.978 -0.146 -5.763 1.00 0.00 H new ATOM 922 N LEU C 20 5.094 -0.457 -8.920 1.00 0.00 N ATOM 923 CA LEU C 20 3.899 -0.136 -9.664 1.00 0.00 C ATOM 924 C LEU C 20 2.780 0.055 -8.664 1.00 0.00 C ATOM 925 O LEU C 20 2.726 -0.646 -7.662 1.00 0.00 O ATOM 926 CB LEU C 20 3.539 -1.246 -10.634 1.00 0.00 C ATOM 927 CG LEU C 20 4.518 -1.496 -11.778 1.00 0.00 C ATOM 928 CD1 LEU C 20 4.455 -2.942 -12.229 1.00 0.00 C ATOM 929 CD2 LEU C 20 4.183 -0.586 -12.945 1.00 0.00 C ATOM 0 H LEU C 20 5.371 -1.438 -8.949 1.00 0.00 H new ATOM 0 HA LEU C 20 4.062 0.768 -10.251 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.432 -2.172 -10.068 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.563 -1.020 -11.064 1.00 0.00 H new ATOM 0 HG LEU C 20 5.527 -1.284 -11.424 1.00 0.00 H new ATOM 0 HD11 LEU C 20 5.160 -3.100 -13.045 1.00 0.00 H new ATOM 0 HD12 LEU C 20 4.713 -3.595 -11.395 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.446 -3.173 -12.572 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.884 -0.767 -13.760 1.00 0.00 H new ATOM 0 HD22 LEU C 20 3.168 -0.791 -13.286 1.00 0.00 H new ATOM 0 HD23 LEU C 20 4.256 0.454 -12.628 1.00 0.00 H new ATOM 941 N VAL C 21 1.908 0.999 -8.918 1.00 0.00 N ATOM 942 CA VAL C 21 0.893 1.400 -7.941 1.00 0.00 C ATOM 943 C VAL C 21 -0.318 2.048 -8.641 1.00 0.00 C ATOM 944 O VAL C 21 -0.157 3.011 -9.385 1.00 0.00 O ATOM 945 CB VAL C 21 1.489 2.427 -6.936 1.00 0.00 C ATOM 946 CG1 VAL C 21 0.453 2.972 -5.985 1.00 0.00 C ATOM 947 CG2 VAL C 21 2.629 1.841 -6.130 1.00 0.00 C ATOM 0 H VAL C 21 1.871 1.515 -9.797 1.00 0.00 H new ATOM 0 HA VAL C 21 0.570 0.503 -7.413 1.00 0.00 H new ATOM 0 HB VAL C 21 1.867 3.244 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL C 21 0.922 3.684 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL C 21 -0.332 3.473 -6.551 1.00 0.00 H new ATOM 0 HG13 VAL C 21 0.020 2.153 -5.410 1.00 0.00 H new ATOM 0 HG21 VAL C 21 3.013 2.594 -5.442 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.270 0.982 -5.563 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.426 1.524 -6.803 1.00 0.00 H new ATOM 957 N LYS C 22 -1.522 1.537 -8.401 1.00 0.00 N ATOM 958 CA LYS C 22 -2.721 2.067 -9.042 1.00 0.00 C ATOM 959 C LYS C 22 -3.625 2.752 -8.023 1.00 0.00 C ATOM 960 O LYS C 22 -3.503 2.536 -6.815 1.00 0.00 O ATOM 961 CB LYS C 22 -3.545 0.965 -9.714 1.00 0.00 C ATOM 962 CG LYS C 22 -2.830 -0.354 -9.938 1.00 0.00 C ATOM 963 CD LYS C 22 -3.796 -1.517 -9.784 1.00 0.00 C ATOM 964 CE LYS C 22 -4.732 -1.644 -10.972 1.00 0.00 C ATOM 965 NZ LYS C 22 -5.721 -2.732 -10.766 1.00 0.00 N ATOM 0 H LYS C 22 -1.693 0.756 -7.767 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.374 2.778 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.430 0.778 -9.106 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -3.894 1.335 -10.678 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.388 -0.370 -10.934 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.012 -0.456 -9.225 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -3.232 -2.443 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -4.382 -1.383 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -5.254 -0.700 -11.129 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -4.153 -1.842 -11.874 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -6.346 -2.794 -11.595 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -5.222 -3.636 -10.640 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -6.289 -2.529 -9.918 1.00 0.00 H new ATOM 979 N THR C 23 -4.544 3.563 -8.524 1.00 0.00 N ATOM 980 CA THR C 23 -5.538 4.230 -7.684 1.00 0.00 C ATOM 981 C THR C 23 -6.950 4.092 -8.255 1.00 0.00 C ATOM 982 O THR C 23 -7.146 3.392 -9.248 1.00 0.00 O ATOM 983 CB THR C 23 -5.204 5.715 -7.538 1.00 0.00 C ATOM 984 OG1 THR C 23 -4.847 6.252 -8.817 1.00 0.00 O ATOM 985 CG2 THR C 23 -4.075 5.899 -6.551 1.00 0.00 C ATOM 0 H THR C 23 -4.625 3.779 -9.517 1.00 0.00 H new ATOM 0 HA THR C 23 -5.509 3.744 -6.709 1.00 0.00 H new ATOM 0 HB THR C 23 -6.077 6.248 -7.162 1.00 0.00 H new ATOM 0 HG1 THR C 23 -3.998 6.735 -8.743 1.00 0.00 H new ATOM 0 HG21 THR C 23 -3.845 6.960 -6.455 1.00 0.00 H new ATOM 0 HG22 THR C 23 -4.372 5.502 -5.580 1.00 0.00 H new ATOM 0 HG23 THR C 23 -3.192 5.367 -6.905 1.00 0.00 H new ATOM 993 N LEU C 24 -7.931 4.763 -7.636 1.00 0.00 N ATOM 994 CA LEU C 24 -9.309 4.726 -8.130 1.00 0.00 C ATOM 995 C LEU C 24 -9.397 5.401 -9.491 1.00 0.00 C ATOM 996 O LEU C 24 -10.223 5.039 -10.329 1.00 0.00 O ATOM 997 CB LEU C 24 -10.285 5.403 -7.157 1.00 0.00 C ATOM 998 CG LEU C 24 -10.760 4.553 -5.973 1.00 0.00 C ATOM 999 CD1 LEU C 24 -9.898 4.758 -4.736 1.00 0.00 C ATOM 1000 CD2 LEU C 24 -12.204 4.875 -5.651 1.00 0.00 C ATOM 0 H LEU C 24 -7.796 5.332 -6.800 1.00 0.00 H new ATOM 0 HA LEU C 24 -9.594 3.678 -8.218 1.00 0.00 H new ATOM 0 HB2 LEU C 24 -9.809 6.302 -6.764 1.00 0.00 H new ATOM 0 HB3 LEU C 24 -11.161 5.726 -7.720 1.00 0.00 H new ATOM 0 HG LEU C 24 -10.670 3.507 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU C 24 -10.273 4.135 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU C 24 -8.868 4.480 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU C 24 -9.934 5.805 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU C 24 -12.533 4.267 -4.809 1.00 0.00 H new ATOM 0 HD22 LEU C 24 -12.293 5.930 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU C 24 -12.827 4.660 -6.519 1.00 0.00 H new ATOM 1012 N ASP C 25 -8.520 6.372 -9.705 1.00 0.00 N ATOM 1013 CA ASP C 25 -8.443 7.081 -10.979 1.00 0.00 C ATOM 1014 C ASP C 25 -7.814 6.205 -12.062 1.00 0.00 C ATOM 1015 O ASP C 25 -7.560 6.674 -13.171 1.00 0.00 O ATOM 1016 CB ASP C 25 -7.643 8.375 -10.825 1.00 0.00 C ATOM 1017 CG ASP C 25 -8.405 9.448 -10.074 1.00 0.00 C ATOM 1018 OD1 ASP C 25 -9.186 10.184 -10.712 1.00 0.00 O ATOM 1019 OD2 ASP C 25 -8.225 9.563 -8.844 1.00 0.00 O ATOM 0 H ASP C 25 -7.846 6.690 -9.008 1.00 0.00 H new ATOM 0 HA ASP C 25 -9.460 7.326 -11.284 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -6.712 8.161 -10.300 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -7.373 8.750 -11.812 1.00 0.00 H new ATOM 1024 N SER C 26 -7.549 4.937 -11.725 1.00 0.00 N ATOM 1025 CA SER C 26 -7.050 3.949 -12.691 1.00 0.00 C ATOM 1026 C SER C 26 -5.673 4.338 -13.229 1.00 0.00 C ATOM 1027 O SER C 26 -5.231 3.839 -14.266 1.00 0.00 O ATOM 1028 CB SER C 26 -8.049 3.809 -13.839 1.00 0.00 C ATOM 1029 OG SER C 26 -7.717 2.732 -14.702 1.00 0.00 O ATOM 0 H SER C 26 -7.673 4.568 -10.782 1.00 0.00 H new ATOM 0 HA SER C 26 -6.944 2.992 -12.180 1.00 0.00 H new ATOM 0 HB2 SER C 26 -9.049 3.654 -13.433 1.00 0.00 H new ATOM 0 HB3 SER C 26 -8.077 4.737 -14.411 1.00 0.00 H new ATOM 0 HG SER C 26 -6.748 2.717 -14.849 1.00 0.00 H new ATOM 1035 N GLN C 27 -5.012 5.224 -12.503 1.00 0.00 N ATOM 1036 CA GLN C 27 -3.693 5.740 -12.878 1.00 0.00 C ATOM 1037 C GLN C 27 -2.707 4.626 -13.223 1.00 0.00 C ATOM 1038 O GLN C 27 -2.292 4.489 -14.376 1.00 0.00 O ATOM 1039 CB GLN C 27 -3.115 6.572 -11.732 1.00 0.00 C ATOM 1040 CG GLN C 27 -3.897 7.835 -11.422 1.00 0.00 C ATOM 1041 CD GLN C 27 -3.344 8.580 -10.237 1.00 0.00 C ATOM 1042 OE1 GLN C 27 -2.749 7.990 -9.335 1.00 0.00 O ATOM 1043 NE2 GLN C 27 -3.571 9.874 -10.211 1.00 0.00 N ATOM 0 H GLN C 27 -5.372 5.612 -11.631 1.00 0.00 H new ATOM 0 HA GLN C 27 -3.834 6.354 -13.768 1.00 0.00 H new ATOM 0 HB2 GLN C 27 -3.074 5.954 -10.835 1.00 0.00 H new ATOM 0 HB3 GLN C 27 -2.089 6.845 -11.978 1.00 0.00 H new ATOM 0 HG2 GLN C 27 -3.887 8.488 -12.295 1.00 0.00 H new ATOM 0 HG3 GLN C 27 -4.938 7.576 -11.230 1.00 0.00 H new ATOM 0 HE21 GLN C 27 -4.069 10.320 -10.982 1.00 0.00 H new ATOM 0 HE22 GLN C 27 -3.250 10.432 -9.420 1.00 0.00 H new ATOM 1052 N THR C 28 -2.368 3.828 -12.215 1.00 0.00 N ATOM 1053 CA THR C 28 -1.277 2.868 -12.304 1.00 0.00 C ATOM 1054 C THR C 28 0.024 3.566 -12.682 1.00 0.00 C ATOM 1055 O THR C 28 0.347 3.752 -13.860 1.00 0.00 O ATOM 1056 CB THR C 28 -1.562 1.711 -13.282 1.00 0.00 C ATOM 1057 OG1 THR C 28 -2.631 0.898 -12.787 1.00 0.00 O ATOM 1058 CG2 THR C 28 -0.313 0.865 -13.477 1.00 0.00 C ATOM 0 H THR C 28 -2.844 3.830 -11.313 1.00 0.00 H new ATOM 0 HA THR C 28 -1.180 2.425 -11.313 1.00 0.00 H new ATOM 0 HB THR C 28 -1.854 2.133 -14.244 1.00 0.00 H new ATOM 0 HG1 THR C 28 -2.805 0.167 -13.417 1.00 0.00 H new ATOM 0 HG21 THR C 28 -0.529 0.052 -14.170 1.00 0.00 H new ATOM 0 HG22 THR C 28 0.487 1.485 -13.883 1.00 0.00 H new ATOM 0 HG23 THR C 28 -0.000 0.451 -12.518 1.00 0.00 H new ATOM 1066 N ARG C 29 0.753 3.982 -11.669 1.00 0.00 N ATOM 1067 CA ARG C 29 2.060 4.575 -11.876 1.00 0.00 C ATOM 1068 C ARG C 29 3.108 3.851 -11.041 1.00 0.00 C ATOM 1069 O ARG C 29 2.800 3.308 -9.988 1.00 0.00 O ATOM 1070 CB ARG C 29 2.051 6.056 -11.514 1.00 0.00 C ATOM 1071 CG ARG C 29 1.107 6.893 -12.339 1.00 0.00 C ATOM 1072 CD ARG C 29 1.079 8.324 -11.836 1.00 0.00 C ATOM 1073 NE ARG C 29 0.131 9.166 -12.561 1.00 0.00 N ATOM 1074 CZ ARG C 29 0.244 10.489 -12.652 1.00 0.00 C ATOM 1075 NH1 ARG C 29 1.309 11.102 -12.145 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -0.693 11.197 -13.263 1.00 0.00 N ATOM 0 H ARG C 29 0.464 3.921 -10.693 1.00 0.00 H new ATOM 0 HA ARG C 29 2.309 4.476 -12.932 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.784 6.159 -10.462 1.00 0.00 H new ATOM 0 HB3 ARG C 29 3.061 6.451 -11.627 1.00 0.00 H new ATOM 0 HG2 ARG C 29 1.417 6.876 -13.384 1.00 0.00 H new ATOM 0 HG3 ARG C 29 0.104 6.468 -12.296 1.00 0.00 H new ATOM 0 HD2 ARG C 29 0.822 8.326 -10.777 1.00 0.00 H new ATOM 0 HD3 ARG C 29 2.077 8.753 -11.922 1.00 0.00 H new ATOM 0 HE ARG C 29 -0.660 8.716 -13.022 1.00 0.00 H new ATOM 0 HH11 ARG C 29 2.040 10.558 -11.686 1.00 0.00 H new ATOM 0 HH12 ARG C 29 1.395 12.116 -12.215 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -1.505 10.729 -13.666 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -0.603 12.211 -13.331 1.00 0.00 H new ATOM 1090 N THR C 30 4.339 3.842 -11.517 1.00 0.00 N ATOM 1091 CA THR C 30 5.412 3.166 -10.839 1.00 0.00 C ATOM 1092 C THR C 30 6.270 4.150 -10.034 1.00 0.00 C ATOM 1093 O THR C 30 6.504 5.285 -10.456 1.00 0.00 O ATOM 1094 CB THR C 30 6.280 2.444 -11.865 1.00 0.00 C ATOM 1095 OG1 THR C 30 5.515 2.126 -13.034 1.00 0.00 O ATOM 1096 CG2 THR C 30 6.856 1.180 -11.293 1.00 0.00 C ATOM 0 H THR C 30 4.616 4.304 -12.383 1.00 0.00 H new ATOM 0 HA THR C 30 4.982 2.447 -10.142 1.00 0.00 H new ATOM 0 HB THR C 30 7.097 3.114 -12.134 1.00 0.00 H new ATOM 0 HG1 THR C 30 6.086 1.665 -13.683 1.00 0.00 H new ATOM 0 HG21 THR C 30 7.470 0.686 -12.046 1.00 0.00 H new ATOM 0 HG22 THR C 30 7.470 1.420 -10.425 1.00 0.00 H new ATOM 0 HG23 THR C 30 6.047 0.515 -10.992 1.00 0.00 H new ATOM 1104 N PHE C 31 6.730 3.695 -8.876 1.00 0.00 N ATOM 1105 CA PHE C 31 7.486 4.507 -7.936 1.00 0.00 C ATOM 1106 C PHE C 31 8.780 3.818 -7.594 1.00 0.00 C ATOM 1107 O PHE C 31 9.021 3.431 -6.452 1.00 0.00 O ATOM 1108 CB PHE C 31 6.675 4.710 -6.676 1.00 0.00 C ATOM 1109 CG PHE C 31 5.378 5.356 -6.943 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.364 6.521 -7.662 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.193 4.828 -6.469 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.187 7.173 -7.917 1.00 0.00 C ATOM 1113 CE2 PHE C 31 3.004 5.472 -6.723 1.00 0.00 C ATOM 1114 CZ PHE C 31 2.998 6.650 -7.448 1.00 0.00 C ATOM 0 H PHE C 31 6.585 2.736 -8.560 1.00 0.00 H new ATOM 0 HA PHE C 31 7.702 5.474 -8.390 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.506 3.746 -6.196 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.244 5.320 -5.975 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.292 6.931 -8.032 1.00 0.00 H new ATOM 0 HD2 PHE C 31 4.200 3.910 -5.899 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.189 8.093 -8.483 1.00 0.00 H new ATOM 0 HE2 PHE C 31 2.076 5.058 -6.357 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.066 7.159 -7.647 1.00 0.00 H new ATOM 1124 N ILE C 32 9.588 3.650 -8.604 1.00 0.00 N ATOM 1125 CA ILE C 32 10.797 2.878 -8.497 1.00 0.00 C ATOM 1126 C ILE C 32 11.743 3.342 -7.440 1.00 0.00 C ATOM 1127 O ILE C 32 12.225 4.478 -7.418 1.00 0.00 O ATOM 1128 CB ILE C 32 11.519 2.786 -9.815 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.641 2.057 -10.708 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.762 1.970 -9.675 1.00 0.00 C ATOM 1131 CD1 ILE C 32 9.992 2.855 -11.808 1.00 0.00 C ATOM 0 H ILE C 32 9.426 4.046 -9.530 1.00 0.00 H new ATOM 0 HA ILE C 32 10.454 1.889 -8.193 1.00 0.00 H new ATOM 0 HB ILE C 32 11.775 3.784 -10.171 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.212 1.248 -11.164 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.854 1.595 -10.112 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.271 1.914 -10.637 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.422 2.435 -8.942 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.502 0.965 -9.343 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.360 2.200 -12.408 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.383 3.647 -11.372 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.762 3.296 -12.441 1.00 0.00 H new ATOM 1143 N VAL C 33 11.992 2.397 -6.582 1.00 0.00 N ATOM 1144 CA VAL C 33 12.936 2.539 -5.492 1.00 0.00 C ATOM 1145 C VAL C 33 13.719 1.286 -5.244 1.00 0.00 C ATOM 1146 O VAL C 33 13.367 0.208 -5.698 1.00 0.00 O ATOM 1147 CB VAL C 33 12.254 2.953 -4.200 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.790 4.346 -4.396 1.00 0.00 C ATOM 1149 CG2 VAL C 33 11.091 2.033 -3.873 1.00 0.00 C ATOM 0 H VAL C 33 11.539 1.483 -6.614 1.00 0.00 H new ATOM 0 HA VAL C 33 13.623 3.325 -5.806 1.00 0.00 H new ATOM 0 HB VAL C 33 12.944 2.885 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL C 33 11.290 4.694 -3.492 1.00 0.00 H new ATOM 0 HG12 VAL C 33 12.645 4.988 -4.608 1.00 0.00 H new ATOM 0 HG13 VAL C 33 11.093 4.383 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.623 2.355 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.359 2.071 -4.680 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.455 1.012 -3.762 1.00 0.00 H new ATOM 1159 N GLY C 34 14.755 1.439 -4.463 1.00 0.00 N ATOM 1160 CA GLY C 34 15.735 0.385 -4.328 1.00 0.00 C ATOM 1161 C GLY C 34 15.535 -0.510 -3.126 1.00 0.00 C ATOM 1162 O GLY C 34 16.467 -0.718 -2.354 1.00 0.00 O ATOM 0 H GLY C 34 14.945 2.276 -3.912 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.716 -0.229 -5.229 1.00 0.00 H new ATOM 0 HA3 GLY C 34 16.726 0.834 -4.269 1.00 0.00 H new ATOM 1166 N ALA C 35 14.319 -1.042 -2.984 1.00 0.00 N ATOM 1167 CA ALA C 35 13.996 -2.076 -1.990 1.00 0.00 C ATOM 1168 C ALA C 35 14.038 -1.584 -0.543 1.00 0.00 C ATOM 1169 O ALA C 35 13.148 -1.886 0.247 1.00 0.00 O ATOM 1170 CB ALA C 35 14.903 -3.280 -2.168 1.00 0.00 C ATOM 0 H ALA C 35 13.522 -0.767 -3.559 1.00 0.00 H new ATOM 0 HA ALA C 35 12.961 -2.360 -2.178 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.652 -4.037 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA C 35 14.767 -3.693 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.942 -2.975 -2.039 1.00 0.00 H new ATOM 1176 N GLN C 36 15.061 -0.836 -0.199 1.00 0.00 N ATOM 1177 CA GLN C 36 15.258 -0.375 1.160 1.00 0.00 C ATOM 1178 C GLN C 36 15.560 1.107 1.140 1.00 0.00 C ATOM 1179 O GLN C 36 16.222 1.642 2.028 1.00 0.00 O ATOM 1180 CB GLN C 36 16.395 -1.168 1.811 1.00 0.00 C ATOM 1181 CG GLN C 36 17.676 -1.174 0.990 1.00 0.00 C ATOM 1182 CD GLN C 36 18.428 -2.486 1.087 1.00 0.00 C ATOM 1183 OE1 GLN C 36 19.138 -2.875 0.162 1.00 0.00 O ATOM 1184 NE2 GLN C 36 18.263 -3.186 2.193 1.00 0.00 N ATOM 0 H GLN C 36 15.782 -0.529 -0.852 1.00 0.00 H new ATOM 0 HA GLN C 36 14.355 -0.536 1.749 1.00 0.00 H new ATOM 0 HB2 GLN C 36 16.605 -0.747 2.794 1.00 0.00 H new ATOM 0 HB3 GLN C 36 16.068 -2.196 1.967 1.00 0.00 H new ATOM 0 HG2 GLN C 36 17.434 -0.975 -0.054 1.00 0.00 H new ATOM 0 HG3 GLN C 36 18.322 -0.364 1.327 1.00 0.00 H new ATOM 0 HE21 GLN C 36 17.665 -2.829 2.938 1.00 0.00 H new ATOM 0 HE22 GLN C 36 18.733 -4.084 2.303 1.00 0.00 H new ATOM 1193 N MET C 37 15.059 1.749 0.096 1.00 0.00 N ATOM 1194 CA MET C 37 15.244 3.169 -0.108 1.00 0.00 C ATOM 1195 C MET C 37 14.625 3.970 1.040 1.00 0.00 C ATOM 1196 O MET C 37 15.336 4.475 1.905 1.00 0.00 O ATOM 1197 CB MET C 37 14.636 3.542 -1.437 1.00 0.00 C ATOM 1198 CG MET C 37 15.209 4.792 -2.065 1.00 0.00 C ATOM 1199 SD MET C 37 14.538 6.308 -1.355 1.00 0.00 S ATOM 1200 CE MET C 37 15.379 7.543 -2.345 1.00 0.00 C ATOM 0 H MET C 37 14.511 1.294 -0.634 1.00 0.00 H new ATOM 0 HA MET C 37 16.307 3.409 -0.119 1.00 0.00 H new ATOM 0 HB2 MET C 37 14.770 2.710 -2.129 1.00 0.00 H new ATOM 0 HB3 MET C 37 13.563 3.677 -1.305 1.00 0.00 H new ATOM 0 HG2 MET C 37 16.292 4.789 -1.944 1.00 0.00 H new ATOM 0 HG3 MET C 37 15.008 4.779 -3.136 1.00 0.00 H new ATOM 0 HE1 MET C 37 15.069 8.538 -2.026 1.00 0.00 H new ATOM 0 HE2 MET C 37 16.457 7.440 -2.216 1.00 0.00 H new ATOM 0 HE3 MET C 37 15.124 7.403 -3.395 1.00 0.00 H new ATOM 1210 N ASN C 38 13.301 4.074 1.047 1.00 0.00 N ATOM 1211 CA ASN C 38 12.586 4.745 2.120 1.00 0.00 C ATOM 1212 C ASN C 38 11.256 4.119 2.389 1.00 0.00 C ATOM 1213 O ASN C 38 11.104 3.336 3.318 1.00 0.00 O ATOM 1214 CB ASN C 38 12.368 6.213 1.789 1.00 0.00 C ATOM 1215 CG ASN C 38 13.471 7.086 2.318 1.00 0.00 C ATOM 1216 OD1 ASN C 38 13.421 7.535 3.461 1.00 0.00 O ATOM 1217 ND2 ASN C 38 14.464 7.335 1.495 1.00 0.00 N ATOM 0 H ASN C 38 12.699 3.698 0.314 1.00 0.00 H new ATOM 0 HA ASN C 38 13.207 4.648 3.010 1.00 0.00 H new ATOM 0 HB2 ASN C 38 12.299 6.333 0.708 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.416 6.540 2.207 1.00 0.00 H new ATOM 0 HD21 ASN C 38 15.240 7.925 1.796 1.00 0.00 H new ATOM 0 HD22 ASN C 38 14.459 6.938 0.555 1.00 0.00 H new ATOM 1224 N VAL C 39 10.324 4.475 1.534 1.00 0.00 N ATOM 1225 CA VAL C 39 8.910 4.221 1.709 1.00 0.00 C ATOM 1226 C VAL C 39 8.227 5.365 2.430 1.00 0.00 C ATOM 1227 O VAL C 39 7.058 5.628 2.215 1.00 0.00 O ATOM 1228 CB VAL C 39 8.565 2.892 2.374 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.217 3.132 3.798 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.399 2.282 1.659 1.00 0.00 C ATOM 0 H VAL C 39 10.537 4.967 0.666 1.00 0.00 H new ATOM 0 HA VAL C 39 8.524 4.144 0.692 1.00 0.00 H new ATOM 0 HB VAL C 39 9.417 2.214 2.325 1.00 0.00 H new ATOM 0 HG11 VAL C 39 7.970 2.185 4.277 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.066 3.586 4.309 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.359 3.802 3.855 1.00 0.00 H new ATOM 0 HG21 VAL C 39 7.143 1.331 2.126 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.544 2.956 1.716 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.660 2.115 0.614 1.00 0.00 H new ATOM 1240 N LYS C 40 8.971 6.038 3.267 1.00 0.00 N ATOM 1241 CA LYS C 40 8.486 7.176 3.991 1.00 0.00 C ATOM 1242 C LYS C 40 8.609 8.401 3.125 1.00 0.00 C ATOM 1243 O LYS C 40 7.630 8.955 2.632 1.00 0.00 O ATOM 1244 CB LYS C 40 9.321 7.338 5.254 1.00 0.00 C ATOM 1245 CG LYS C 40 9.854 6.038 5.799 1.00 0.00 C ATOM 1246 CD LYS C 40 11.354 5.913 5.573 1.00 0.00 C ATOM 1247 CE LYS C 40 12.145 6.854 6.474 1.00 0.00 C ATOM 1248 NZ LYS C 40 13.604 6.792 6.199 1.00 0.00 N ATOM 0 H LYS C 40 9.944 5.806 3.466 1.00 0.00 H new ATOM 0 HA LYS C 40 7.439 7.040 4.262 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.158 8.003 5.043 1.00 0.00 H new ATOM 0 HB3 LYS C 40 8.715 7.822 6.020 1.00 0.00 H new ATOM 0 HG2 LYS C 40 9.639 5.974 6.866 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.342 5.204 5.320 1.00 0.00 H new ATOM 0 HD2 LYS C 40 11.665 4.885 5.760 1.00 0.00 H new ATOM 0 HD3 LYS C 40 11.583 6.131 4.530 1.00 0.00 H new ATOM 0 HE2 LYS C 40 11.792 7.875 6.331 1.00 0.00 H new ATOM 0 HE3 LYS C 40 11.961 6.597 7.517 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 14.103 7.459 6.821 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 13.950 5.828 6.377 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 13.781 7.046 5.206 1.00 0.00 H new ATOM 1262 N GLU C 41 9.843 8.786 2.934 1.00 0.00 N ATOM 1263 CA GLU C 41 10.203 9.829 2.029 1.00 0.00 C ATOM 1264 C GLU C 41 9.791 9.469 0.600 1.00 0.00 C ATOM 1265 O GLU C 41 9.548 10.340 -0.233 1.00 0.00 O ATOM 1266 CB GLU C 41 11.696 10.055 2.149 1.00 0.00 C ATOM 1267 CG GLU C 41 12.103 10.654 3.486 1.00 0.00 C ATOM 1268 CD GLU C 41 13.596 10.883 3.602 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.126 11.751 2.875 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.247 10.202 4.420 1.00 0.00 O ATOM 0 H GLU C 41 10.639 8.370 3.417 1.00 0.00 H new ATOM 0 HA GLU C 41 9.679 10.752 2.278 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.213 9.106 2.010 1.00 0.00 H new ATOM 0 HB3 GLU C 41 12.023 10.716 1.347 1.00 0.00 H new ATOM 0 HG2 GLU C 41 11.584 11.602 3.626 1.00 0.00 H new ATOM 0 HG3 GLU C 41 11.779 9.991 4.288 1.00 0.00 H new ATOM 1277 N PHE C 42 9.718 8.167 0.344 1.00 0.00 N ATOM 1278 CA PHE C 42 9.171 7.634 -0.895 1.00 0.00 C ATOM 1279 C PHE C 42 7.754 8.160 -1.083 1.00 0.00 C ATOM 1280 O PHE C 42 7.414 8.704 -2.128 1.00 0.00 O ATOM 1281 CB PHE C 42 9.205 6.098 -0.810 1.00 0.00 C ATOM 1282 CG PHE C 42 8.209 5.333 -1.658 1.00 0.00 C ATOM 1283 CD1 PHE C 42 6.854 5.373 -1.372 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.631 4.556 -2.723 1.00 0.00 C ATOM 1285 CE1 PHE C 42 5.943 4.670 -2.123 1.00 0.00 C ATOM 1286 CE2 PHE C 42 7.721 3.845 -3.481 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.374 3.906 -3.180 1.00 0.00 C ATOM 0 H PHE C 42 10.039 7.450 0.994 1.00 0.00 H new ATOM 0 HA PHE C 42 9.758 7.950 -1.758 1.00 0.00 H new ATOM 0 HB2 PHE C 42 10.206 5.767 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE C 42 9.050 5.814 0.231 1.00 0.00 H new ATOM 0 HD1 PHE C 42 6.506 5.969 -0.541 1.00 0.00 H new ATOM 0 HD2 PHE C 42 9.683 4.505 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE C 42 4.891 4.718 -1.883 1.00 0.00 H new ATOM 0 HE2 PHE C 42 8.063 3.241 -4.309 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.661 3.354 -3.775 1.00 0.00 H new ATOM 1297 N LYS C 43 6.949 8.021 -0.035 1.00 0.00 N ATOM 1298 CA LYS C 43 5.560 8.448 -0.070 1.00 0.00 C ATOM 1299 C LYS C 43 5.452 9.951 -0.238 1.00 0.00 C ATOM 1300 O LYS C 43 4.618 10.444 -0.994 1.00 0.00 O ATOM 1301 CB LYS C 43 4.857 8.039 1.210 1.00 0.00 C ATOM 1302 CG LYS C 43 4.516 6.570 1.288 1.00 0.00 C ATOM 1303 CD LYS C 43 4.154 6.172 2.702 1.00 0.00 C ATOM 1304 CE LYS C 43 3.463 4.828 2.733 1.00 0.00 C ATOM 1305 NZ LYS C 43 4.310 3.754 2.147 1.00 0.00 N ATOM 0 H LYS C 43 7.240 7.613 0.853 1.00 0.00 H new ATOM 0 HA LYS C 43 5.085 7.965 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.491 8.299 2.058 1.00 0.00 H new ATOM 0 HB3 LYS C 43 3.939 8.619 1.308 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.683 6.350 0.620 1.00 0.00 H new ATOM 0 HG3 LYS C 43 5.364 5.977 0.945 1.00 0.00 H new ATOM 0 HD2 LYS C 43 5.055 6.134 3.314 1.00 0.00 H new ATOM 0 HD3 LYS C 43 3.503 6.929 3.140 1.00 0.00 H new ATOM 0 HE2 LYS C 43 3.213 4.572 3.763 1.00 0.00 H new ATOM 0 HE3 LYS C 43 2.524 4.890 2.183 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 3.836 2.836 2.264 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 4.457 3.941 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 5.229 3.733 2.632 1.00 0.00 H new ATOM 1319 N GLU C 44 6.299 10.670 0.482 1.00 0.00 N ATOM 1320 CA GLU C 44 6.340 12.113 0.418 1.00 0.00 C ATOM 1321 C GLU C 44 6.560 12.580 -1.018 1.00 0.00 C ATOM 1322 O GLU C 44 6.006 13.588 -1.451 1.00 0.00 O ATOM 1323 CB GLU C 44 7.463 12.606 1.309 1.00 0.00 C ATOM 1324 CG GLU C 44 7.233 13.993 1.852 1.00 0.00 C ATOM 1325 CD GLU C 44 8.324 14.429 2.805 1.00 0.00 C ATOM 1326 OE1 GLU C 44 8.237 14.096 4.002 1.00 0.00 O ATOM 1327 OE2 GLU C 44 9.278 15.108 2.362 1.00 0.00 O ATOM 0 H GLU C 44 6.977 10.263 1.127 1.00 0.00 H new ATOM 0 HA GLU C 44 5.389 12.521 0.761 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.586 11.914 2.142 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.396 12.595 0.745 1.00 0.00 H new ATOM 0 HG2 GLU C 44 7.175 14.699 1.024 1.00 0.00 H new ATOM 0 HG3 GLU C 44 6.272 14.024 2.366 1.00 0.00 H new ATOM 1334 N HIS C 45 7.373 11.828 -1.748 1.00 0.00 N ATOM 1335 CA HIS C 45 7.666 12.121 -3.134 1.00 0.00 C ATOM 1336 C HIS C 45 6.458 11.870 -4.033 1.00 0.00 C ATOM 1337 O HIS C 45 6.114 12.701 -4.870 1.00 0.00 O ATOM 1338 CB HIS C 45 8.845 11.271 -3.598 1.00 0.00 C ATOM 1339 CG HIS C 45 10.170 11.709 -3.048 1.00 0.00 C ATOM 1340 ND1 HIS C 45 11.352 11.051 -3.314 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.496 12.744 -2.237 1.00 0.00 C ATOM 1342 CE1 HIS C 45 12.344 11.661 -2.691 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.851 12.690 -2.031 1.00 0.00 N ATOM 0 H HIS C 45 7.846 10.998 -1.390 1.00 0.00 H new ATOM 0 HA HIS C 45 7.919 13.179 -3.208 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.668 10.235 -3.309 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.890 11.295 -4.687 1.00 0.00 H new ATOM 0 HD2 HIS C 45 9.815 13.476 -1.828 1.00 0.00 H new ATOM 0 HE1 HIS C 45 13.383 11.367 -2.718 1.00 0.00 H new ATOM 0 HE2 HIS C 45 12.390 13.341 -1.460 1.00 0.00 H new ATOM 1352 N ILE C 46 5.812 10.724 -3.851 1.00 0.00 N ATOM 1353 CA ILE C 46 4.720 10.311 -4.724 1.00 0.00 C ATOM 1354 C ILE C 46 3.420 11.039 -4.389 1.00 0.00 C ATOM 1355 O ILE C 46 2.471 11.010 -5.173 1.00 0.00 O ATOM 1356 CB ILE C 46 4.473 8.795 -4.621 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.696 8.458 -3.351 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.787 8.036 -4.630 1.00 0.00 C ATOM 1359 CD1 ILE C 46 3.378 6.991 -3.222 1.00 0.00 C ATOM 0 H ILE C 46 6.027 10.063 -3.105 1.00 0.00 H new ATOM 0 HA ILE C 46 5.021 10.569 -5.739 1.00 0.00 H new ATOM 0 HB ILE C 46 3.883 8.494 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.275 8.775 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.766 9.027 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.590 6.966 -4.556 1.00 0.00 H new ATOM 0 HG22 ILE C 46 6.321 8.244 -5.557 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.396 8.352 -3.783 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.825 6.818 -2.299 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.773 6.674 -4.072 1.00 0.00 H new ATOM 0 HD13 ILE C 46 4.305 6.418 -3.202 1.00 0.00 H new ATOM 1371 N ALA C 47 3.403 11.685 -3.223 1.00 0.00 N ATOM 1372 CA ALA C 47 2.219 12.348 -2.687 1.00 0.00 C ATOM 1373 C ALA C 47 1.412 13.106 -3.739 1.00 0.00 C ATOM 1374 O ALA C 47 0.208 12.910 -3.849 1.00 0.00 O ATOM 1375 CB ALA C 47 2.630 13.296 -1.574 1.00 0.00 C ATOM 0 H ALA C 47 4.221 11.762 -2.619 1.00 0.00 H new ATOM 0 HA ALA C 47 1.566 11.563 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.746 13.792 -1.173 1.00 0.00 H new ATOM 0 HB2 ALA C 47 3.122 12.734 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.318 14.044 -1.969 1.00 0.00 H new ATOM 1381 N ALA C 48 2.061 13.957 -4.516 1.00 0.00 N ATOM 1382 CA ALA C 48 1.345 14.780 -5.486 1.00 0.00 C ATOM 1383 C ALA C 48 0.778 13.958 -6.635 1.00 0.00 C ATOM 1384 O ALA C 48 -0.373 14.147 -7.026 1.00 0.00 O ATOM 1385 CB ALA C 48 2.241 15.856 -6.037 1.00 0.00 C ATOM 0 H ALA C 48 3.071 14.098 -4.498 1.00 0.00 H new ATOM 0 HA ALA C 48 0.510 15.235 -4.952 1.00 0.00 H new ATOM 0 HB1 ALA C 48 1.687 16.457 -6.758 1.00 0.00 H new ATOM 0 HB2 ALA C 48 2.587 16.493 -5.223 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.099 15.398 -6.530 1.00 0.00 H new ATOM 1391 N SER C 49 1.587 13.059 -7.177 1.00 0.00 N ATOM 1392 CA SER C 49 1.206 12.241 -8.279 1.00 0.00 C ATOM 1393 C SER C 49 -0.029 11.401 -7.972 1.00 0.00 C ATOM 1394 O SER C 49 -0.801 11.058 -8.867 1.00 0.00 O ATOM 1395 CB SER C 49 2.383 11.384 -8.582 1.00 0.00 C ATOM 1396 OG SER C 49 3.590 12.045 -8.231 1.00 0.00 O ATOM 0 H SER C 49 2.537 12.888 -6.846 1.00 0.00 H new ATOM 0 HA SER C 49 0.929 12.855 -9.136 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.305 10.444 -8.035 1.00 0.00 H new ATOM 0 HB3 SER C 49 2.394 11.135 -9.643 1.00 0.00 H new ATOM 0 HG SER C 49 4.352 11.465 -8.436 1.00 0.00 H new ATOM 1402 N VAL C 50 -0.214 11.086 -6.702 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.369 10.323 -6.270 1.00 0.00 C ATOM 1404 C VAL C 50 -2.372 11.208 -5.541 1.00 0.00 C ATOM 1405 O VAL C 50 -3.439 10.736 -5.144 1.00 0.00 O ATOM 1406 CB VAL C 50 -0.944 9.143 -5.376 1.00 0.00 C ATOM 1407 CG1 VAL C 50 -0.103 8.171 -6.185 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.177 9.636 -4.159 1.00 0.00 C ATOM 0 H VAL C 50 0.424 11.348 -5.951 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.854 9.924 -7.161 1.00 0.00 H new ATOM 0 HB VAL C 50 -1.837 8.629 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL C 50 0.198 7.336 -5.552 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -0.687 7.797 -7.026 1.00 0.00 H new ATOM 0 HG13 VAL C 50 0.785 8.681 -6.558 1.00 0.00 H new ATOM 0 HG21 VAL C 50 0.113 8.785 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.716 10.170 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -0.809 10.307 -3.578 1.00 0.00 H new ATOM 1418 N SER C 51 -2.001 12.486 -5.351 1.00 0.00 N ATOM 1419 CA SER C 51 -2.853 13.500 -4.738 1.00 0.00 C ATOM 1420 C SER C 51 -3.150 13.113 -3.306 1.00 0.00 C ATOM 1421 O SER C 51 -4.140 13.536 -2.706 1.00 0.00 O ATOM 1422 CB SER C 51 -4.140 13.748 -5.548 1.00 0.00 C ATOM 1423 OG SER C 51 -5.037 12.651 -5.500 1.00 0.00 O ATOM 0 H SER C 51 -1.085 12.841 -5.626 1.00 0.00 H new ATOM 0 HA SER C 51 -2.315 14.448 -4.739 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.640 14.638 -5.165 1.00 0.00 H new ATOM 0 HB3 SER C 51 -3.877 13.952 -6.586 1.00 0.00 H new ATOM 0 HG SER C 51 -4.632 11.920 -4.988 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.256 12.301 -2.765 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.368 11.834 -1.412 1.00 0.00 C ATOM 1431 C ILE C 52 -1.044 12.012 -0.682 1.00 0.00 C ATOM 1432 O ILE C 52 -0.034 11.446 -1.092 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.745 10.342 -1.331 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -4.010 10.028 -2.135 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -2.938 9.959 0.128 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.291 10.381 -1.412 1.00 0.00 C ATOM 0 H ILE C 52 -1.435 11.953 -3.260 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.159 12.426 -0.951 1.00 0.00 H new ATOM 0 HB ILE C 52 -1.935 9.757 -1.768 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.974 10.571 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -4.021 8.966 -2.379 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.205 8.904 0.195 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -2.012 10.134 0.676 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -3.735 10.563 0.560 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -6.145 10.131 -2.042 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.350 9.818 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.302 11.449 -1.192 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.025 12.781 0.411 1.00 0.00 N ATOM 1449 CA PRO C 53 0.185 12.971 1.202 1.00 0.00 C ATOM 1450 C PRO C 53 0.623 11.698 1.917 1.00 0.00 C ATOM 1451 O PRO C 53 -0.203 10.840 2.223 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.180 14.035 2.212 1.00 0.00 C ATOM 1453 CG PRO C 53 -1.525 14.559 1.823 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.169 13.508 0.970 1.00 0.00 C ATOM 0 HA PRO C 53 1.024 13.251 0.565 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.204 13.619 3.219 1.00 0.00 H new ATOM 0 HB3 PRO C 53 0.560 14.835 2.215 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -2.130 14.764 2.706 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -1.431 15.497 1.276 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -2.814 12.854 1.556 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -2.787 13.948 0.188 1.00 0.00 H new ATOM 1462 N SER C 54 1.920 11.592 2.175 1.00 0.00 N ATOM 1463 CA SER C 54 2.498 10.439 2.870 1.00 0.00 C ATOM 1464 C SER C 54 1.739 10.128 4.157 1.00 0.00 C ATOM 1465 O SER C 54 1.463 8.965 4.463 1.00 0.00 O ATOM 1466 CB SER C 54 3.983 10.696 3.176 1.00 0.00 C ATOM 1467 OG SER C 54 4.530 9.673 3.991 1.00 0.00 O ATOM 0 H SER C 54 2.605 12.300 1.910 1.00 0.00 H new ATOM 0 HA SER C 54 2.413 9.573 2.214 1.00 0.00 H new ATOM 0 HB2 SER C 54 4.543 10.757 2.243 1.00 0.00 H new ATOM 0 HB3 SER C 54 4.091 11.658 3.676 1.00 0.00 H new ATOM 0 HG SER C 54 5.475 9.865 4.166 1.00 0.00 H new ATOM 1473 N GLU C 55 1.366 11.176 4.884 1.00 0.00 N ATOM 1474 CA GLU C 55 0.675 11.029 6.157 1.00 0.00 C ATOM 1475 C GLU C 55 -0.728 10.444 5.979 1.00 0.00 C ATOM 1476 O GLU C 55 -1.323 9.943 6.933 1.00 0.00 O ATOM 1477 CB GLU C 55 0.576 12.382 6.856 1.00 0.00 C ATOM 1478 CG GLU C 55 -0.199 13.383 6.065 1.00 0.00 C ATOM 1479 CD GLU C 55 -0.382 14.705 6.778 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -0.893 14.705 7.919 1.00 0.00 O ATOM 1481 OE2 GLU C 55 -0.043 15.752 6.192 1.00 0.00 O ATOM 0 H GLU C 55 1.533 12.144 4.609 1.00 0.00 H new ATOM 0 HA GLU C 55 1.255 10.336 6.767 1.00 0.00 H new ATOM 0 HB2 GLU C 55 0.104 12.250 7.830 1.00 0.00 H new ATOM 0 HB3 GLU C 55 1.579 12.767 7.038 1.00 0.00 H new ATOM 0 HG2 GLU C 55 0.310 13.558 5.117 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -1.179 12.968 5.829 1.00 0.00 H new ATOM 1488 N LYS C 56 -1.252 10.499 4.761 1.00 0.00 N ATOM 1489 CA LYS C 56 -2.628 10.097 4.512 1.00 0.00 C ATOM 1490 C LYS C 56 -2.744 8.964 3.499 1.00 0.00 C ATOM 1491 O LYS C 56 -3.849 8.526 3.212 1.00 0.00 O ATOM 1492 CB LYS C 56 -3.457 11.280 4.007 1.00 0.00 C ATOM 1493 CG LYS C 56 -3.813 12.308 5.067 1.00 0.00 C ATOM 1494 CD LYS C 56 -4.704 13.396 4.488 1.00 0.00 C ATOM 1495 CE LYS C 56 -5.068 14.447 5.525 1.00 0.00 C ATOM 1496 NZ LYS C 56 -5.765 13.856 6.699 1.00 0.00 N ATOM 0 H LYS C 56 -0.746 10.817 3.934 1.00 0.00 H new ATOM 0 HA LYS C 56 -3.009 9.741 5.469 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -2.905 11.778 3.209 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -4.378 10.898 3.567 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -4.322 11.819 5.898 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -2.903 12.753 5.469 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -4.195 13.874 3.651 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -5.615 12.946 4.093 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -4.163 14.955 5.859 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -5.707 15.202 5.067 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -6.173 14.616 7.280 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -6.524 13.226 6.371 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -5.086 13.312 7.268 1.00 0.00 H new ATOM 1510 N GLN C 57 -1.641 8.481 2.947 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.741 7.467 1.909 1.00 0.00 C ATOM 1512 C GLN C 57 -1.585 6.051 2.448 1.00 0.00 C ATOM 1513 O GLN C 57 -0.805 5.792 3.369 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.738 7.709 0.780 1.00 0.00 C ATOM 1515 CG GLN C 57 0.696 7.902 1.216 1.00 0.00 C ATOM 1516 CD GLN C 57 1.638 7.908 0.028 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.111 6.856 -0.388 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.927 9.082 -0.527 1.00 0.00 N ATOM 0 H GLN C 57 -0.692 8.765 3.191 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.750 7.558 1.507 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -0.780 6.864 0.092 1.00 0.00 H new ATOM 0 HB3 GLN C 57 -1.052 8.591 0.221 1.00 0.00 H new ATOM 0 HG2 GLN C 57 0.789 8.841 1.761 1.00 0.00 H new ATOM 0 HG3 GLN C 57 0.980 7.105 1.903 1.00 0.00 H new ATOM 0 HE21 GLN C 57 1.515 9.937 -0.154 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.561 9.127 -1.325 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.371 5.154 1.869 1.00 0.00 N ATOM 1528 CA ARG C 58 -2.280 3.719 2.138 1.00 0.00 C ATOM 1529 C ARG C 58 -1.843 2.974 0.884 1.00 0.00 C ATOM 1530 O ARG C 58 -2.511 3.062 -0.148 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.636 3.144 2.558 1.00 0.00 C ATOM 1532 CG ARG C 58 -4.135 3.581 3.920 1.00 0.00 C ATOM 1533 CD ARG C 58 -5.441 2.877 4.254 1.00 0.00 C ATOM 1534 NE ARG C 58 -5.884 3.133 5.623 1.00 0.00 N ATOM 1535 CZ ARG C 58 -7.112 2.868 6.063 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -8.025 2.365 5.238 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -7.428 3.100 7.333 1.00 0.00 N ATOM 0 H ARG C 58 -3.096 5.399 1.194 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.555 3.591 2.942 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.378 3.426 1.811 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -3.569 2.056 2.546 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -3.387 3.353 4.679 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -4.283 4.661 3.932 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -6.214 3.205 3.559 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -5.318 1.804 4.111 1.00 0.00 H new ATOM 0 HE ARG C 58 -5.215 3.537 6.278 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -7.786 2.181 4.264 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -8.965 2.163 5.579 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -6.729 3.481 7.971 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -8.369 2.897 7.670 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.734 2.248 0.960 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.335 1.366 -0.123 1.00 0.00 C ATOM 1553 C LEU C 59 -0.892 -0.019 0.122 1.00 0.00 C ATOM 1554 O LEU C 59 -0.430 -0.731 0.980 1.00 0.00 O ATOM 1555 CB LEU C 59 1.167 1.267 -0.199 1.00 0.00 C ATOM 1556 CG LEU C 59 1.907 2.428 -0.833 1.00 0.00 C ATOM 1557 CD1 LEU C 59 1.855 3.602 0.087 1.00 0.00 C ATOM 1558 CD2 LEU C 59 3.347 2.039 -1.124 1.00 0.00 C ATOM 0 H LEU C 59 -0.099 2.254 1.758 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.721 1.774 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.548 1.136 0.814 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.418 0.363 -0.754 1.00 0.00 H new ATOM 0 HG LEU C 59 1.431 2.692 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU C 59 2.386 4.441 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU C 59 0.816 3.882 0.262 1.00 0.00 H new ATOM 0 HD13 LEU C 59 2.325 3.342 1.035 1.00 0.00 H new ATOM 0 HD21 LEU C 59 3.867 2.882 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU C 59 3.845 1.765 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU C 59 3.364 1.190 -1.808 1.00 0.00 H new ATOM 1570 N ILE C 60 -1.873 -0.396 -0.627 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.508 -1.687 -0.434 1.00 0.00 C ATOM 1572 C ILE C 60 -2.095 -2.665 -1.514 1.00 0.00 C ATOM 1573 O ILE C 60 -2.533 -2.565 -2.661 1.00 0.00 O ATOM 1574 CB ILE C 60 -4.029 -1.574 -0.442 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.464 -0.258 0.177 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.636 -2.738 0.321 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -5.901 0.058 -0.100 1.00 0.00 C ATOM 0 H ILE C 60 -2.265 0.163 -1.385 1.00 0.00 H new ATOM 0 HA ILE C 60 -2.180 -2.050 0.540 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.379 -1.604 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.305 -0.297 1.255 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.837 0.546 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.723 -2.652 0.312 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.342 -3.675 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -4.279 -2.723 1.351 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.161 1.009 0.365 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.058 0.126 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.532 -0.730 0.310 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.253 -3.607 -1.146 1.00 0.00 N ATOM 1590 CA TYR C 61 -0.817 -4.634 -2.066 1.00 0.00 C ATOM 1591 C TYR C 61 -1.259 -5.995 -1.562 1.00 0.00 C ATOM 1592 O TYR C 61 -0.823 -6.444 -0.502 1.00 0.00 O ATOM 1593 CB TYR C 61 0.695 -4.604 -2.242 1.00 0.00 C ATOM 1594 CG TYR C 61 1.162 -5.647 -3.210 1.00 0.00 C ATOM 1595 CD1 TYR C 61 0.730 -5.609 -4.521 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.998 -6.680 -2.817 1.00 0.00 C ATOM 1597 CE1 TYR C 61 1.117 -6.562 -5.423 1.00 0.00 C ATOM 1598 CE2 TYR C 61 2.393 -7.649 -3.715 1.00 0.00 C ATOM 1599 CZ TYR C 61 1.950 -7.587 -5.018 1.00 0.00 C ATOM 1600 OH TYR C 61 2.338 -8.554 -5.916 1.00 0.00 O ATOM 0 H TYR C 61 -0.855 -3.682 -0.210 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.273 -4.444 -3.038 1.00 0.00 H new ATOM 0 HB2 TYR C 61 1.001 -3.619 -2.594 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.177 -4.762 -1.277 1.00 0.00 H new ATOM 0 HD1 TYR C 61 0.075 -4.812 -4.840 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.344 -6.727 -1.795 1.00 0.00 H new ATOM 0 HE1 TYR C 61 0.773 -6.513 -6.446 1.00 0.00 H new ATOM 0 HE2 TYR C 61 3.045 -8.450 -3.399 1.00 0.00 H new ATOM 0 HH TYR C 61 2.924 -9.200 -5.469 1.00 0.00 H new ATOM 1610 N GLN C 62 -2.148 -6.627 -2.322 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.728 -7.911 -1.950 1.00 0.00 C ATOM 1612 C GLN C 62 -3.406 -7.803 -0.590 1.00 0.00 C ATOM 1613 O GLN C 62 -3.286 -8.683 0.262 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.668 -9.020 -1.949 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.941 -9.158 -3.277 1.00 0.00 C ATOM 1616 CD GLN C 62 -0.224 -10.476 -3.419 1.00 0.00 C ATOM 1617 OE1 GLN C 62 0.935 -10.613 -3.037 1.00 0.00 O ATOM 1618 NE2 GLN C 62 -0.899 -11.450 -3.991 1.00 0.00 N ATOM 0 H GLN C 62 -2.486 -6.263 -3.213 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.479 -8.178 -2.694 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -0.940 -8.817 -1.164 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -2.145 -9.969 -1.703 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -1.658 -9.051 -4.091 1.00 0.00 H new ATOM 0 HG3 GLN C 62 -0.221 -8.346 -3.377 1.00 0.00 H new ATOM 0 HE21 GLN C 62 -1.860 -11.295 -4.294 1.00 0.00 H new ATOM 0 HE22 GLN C 62 -0.461 -12.360 -4.131 1.00 0.00 H new ATOM 1627 N GLY C 63 -4.098 -6.688 -0.390 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.835 -6.467 0.836 1.00 0.00 C ATOM 1629 C GLY C 63 -3.976 -5.920 1.959 1.00 0.00 C ATOM 1630 O GLY C 63 -4.493 -5.398 2.942 1.00 0.00 O ATOM 0 H GLY C 63 -4.161 -5.926 -1.065 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.652 -5.772 0.641 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.285 -7.407 1.156 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.665 -6.010 1.809 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.754 -5.580 2.853 1.00 0.00 C ATOM 1636 C ARG C 64 -1.571 -4.069 2.802 1.00 0.00 C ATOM 1637 O ARG C 64 -1.251 -3.516 1.751 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.404 -6.277 2.687 1.00 0.00 C ATOM 1639 CG ARG C 64 0.536 -6.091 3.866 1.00 0.00 C ATOM 1640 CD ARG C 64 0.212 -7.041 5.014 1.00 0.00 C ATOM 1641 NE ARG C 64 -1.097 -6.789 5.627 1.00 0.00 N ATOM 1642 CZ ARG C 64 -1.344 -5.808 6.499 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -0.409 -4.908 6.783 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -2.533 -5.726 7.083 1.00 0.00 N ATOM 0 H ARG C 64 -2.209 -6.377 0.974 1.00 0.00 H new ATOM 0 HA ARG C 64 -2.176 -5.849 3.821 1.00 0.00 H new ATOM 0 HB2 ARG C 64 -0.573 -7.343 2.535 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.080 -5.899 1.786 1.00 0.00 H new ATOM 0 HG2 ARG C 64 1.563 -6.255 3.539 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.474 -5.062 4.219 1.00 0.00 H new ATOM 0 HD2 ARG C 64 0.241 -8.067 4.646 1.00 0.00 H new ATOM 0 HD3 ARG C 64 0.985 -6.954 5.777 1.00 0.00 H new ATOM 0 HE ARG C 64 -1.869 -7.404 5.370 1.00 0.00 H new ATOM 0 HH11 ARG C 64 0.505 -4.963 6.334 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -0.605 -4.162 7.450 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -3.256 -6.412 6.866 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -2.723 -4.977 7.749 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.787 -3.409 3.930 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.635 -1.963 4.008 1.00 0.00 C ATOM 1660 C VAL C 65 -0.164 -1.604 4.237 1.00 0.00 C ATOM 1661 O VAL C 65 0.299 -1.521 5.377 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.479 -1.365 5.153 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.508 0.154 5.064 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.888 -1.934 5.133 1.00 0.00 C ATOM 0 H VAL C 65 -2.068 -3.852 4.805 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.983 -1.545 3.064 1.00 0.00 H new ATOM 0 HB VAL C 65 -2.014 -1.640 6.100 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.108 0.555 5.881 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -1.492 0.542 5.136 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -2.944 0.454 4.111 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -4.467 -1.500 5.948 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -4.364 -1.694 4.182 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -3.845 -3.016 5.255 1.00 0.00 H new ATOM 1674 N LEU C 66 0.560 -1.418 3.147 1.00 0.00 N ATOM 1675 CA LEU C 66 1.958 -1.017 3.191 1.00 0.00 C ATOM 1676 C LEU C 66 2.035 0.460 3.537 1.00 0.00 C ATOM 1677 O LEU C 66 1.319 1.285 2.961 1.00 0.00 O ATOM 1678 CB LEU C 66 2.649 -1.255 1.842 1.00 0.00 C ATOM 1679 CG LEU C 66 2.033 -2.329 0.939 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.756 -2.352 -0.391 1.00 0.00 C ATOM 1681 CD2 LEU C 66 2.078 -3.703 1.589 1.00 0.00 C ATOM 0 H LEU C 66 0.195 -1.541 2.203 1.00 0.00 H new ATOM 0 HA LEU C 66 2.467 -1.617 3.946 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.660 -0.313 1.293 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.688 -1.525 2.033 1.00 0.00 H new ATOM 0 HG LEU C 66 0.984 -2.078 0.780 1.00 0.00 H new ATOM 0 HD11 LEU C 66 2.316 -3.117 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.663 -1.378 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.810 -2.578 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.632 -4.438 0.918 1.00 0.00 H new ATOM 0 HD22 LEU C 66 3.114 -3.977 1.790 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.520 -3.681 2.525 1.00 0.00 H new ATOM 1693 N GLN C 67 2.909 0.809 4.452 1.00 0.00 N ATOM 1694 CA GLN C 67 2.933 2.157 4.975 1.00 0.00 C ATOM 1695 C GLN C 67 4.367 2.693 5.058 1.00 0.00 C ATOM 1696 O GLN C 67 5.280 2.123 4.469 1.00 0.00 O ATOM 1697 CB GLN C 67 2.250 2.177 6.342 1.00 0.00 C ATOM 1698 CG GLN C 67 2.816 1.154 7.300 1.00 0.00 C ATOM 1699 CD GLN C 67 1.884 0.841 8.448 1.00 0.00 C ATOM 1700 OE1 GLN C 67 1.928 1.482 9.495 1.00 0.00 O ATOM 1701 NE2 GLN C 67 1.035 -0.155 8.258 1.00 0.00 N ATOM 0 H GLN C 67 3.610 0.183 4.849 1.00 0.00 H new ATOM 0 HA GLN C 67 2.388 2.814 4.297 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.352 3.171 6.778 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.183 1.994 6.212 1.00 0.00 H new ATOM 0 HG2 GLN C 67 3.034 0.235 6.755 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.762 1.521 7.697 1.00 0.00 H new ATOM 0 HE21 GLN C 67 1.032 -0.661 7.372 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.383 -0.417 8.997 1.00 0.00 H new ATOM 1710 N ASP C 68 4.539 3.823 5.737 1.00 0.00 N ATOM 1711 CA ASP C 68 5.838 4.457 5.930 1.00 0.00 C ATOM 1712 C ASP C 68 6.737 3.665 6.900 1.00 0.00 C ATOM 1713 O ASP C 68 7.843 4.092 7.220 1.00 0.00 O ATOM 1714 CB ASP C 68 5.672 5.923 6.366 1.00 0.00 C ATOM 1715 CG ASP C 68 4.700 6.106 7.512 1.00 0.00 C ATOM 1716 OD1 ASP C 68 3.503 5.785 7.339 1.00 0.00 O ATOM 1717 OD2 ASP C 68 5.118 6.608 8.574 1.00 0.00 O ATOM 0 H ASP C 68 3.770 4.330 6.174 1.00 0.00 H new ATOM 0 HA ASP C 68 6.350 4.452 4.968 1.00 0.00 H new ATOM 0 HB2 ASP C 68 6.645 6.319 6.658 1.00 0.00 H new ATOM 0 HB3 ASP C 68 5.331 6.511 5.514 1.00 0.00 H new ATOM 1722 N ASP C 69 6.227 2.524 7.366 1.00 0.00 N ATOM 1723 CA ASP C 69 6.920 1.622 8.320 1.00 0.00 C ATOM 1724 C ASP C 69 8.244 1.065 7.772 1.00 0.00 C ATOM 1725 O ASP C 69 8.914 0.262 8.425 1.00 0.00 O ATOM 1726 CB ASP C 69 5.987 0.466 8.656 1.00 0.00 C ATOM 1727 CG ASP C 69 6.410 -0.337 9.873 1.00 0.00 C ATOM 1728 OD1 ASP C 69 6.346 0.198 11.001 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.774 -1.520 9.712 1.00 0.00 O ATOM 0 H ASP C 69 5.305 2.184 7.093 1.00 0.00 H new ATOM 0 HA ASP C 69 7.168 2.207 9.206 1.00 0.00 H new ATOM 0 HB2 ASP C 69 4.984 0.859 8.824 1.00 0.00 H new ATOM 0 HB3 ASP C 69 5.928 -0.201 7.796 1.00 0.00 H new ATOM 1734 N LYS C 70 8.581 1.490 6.563 1.00 0.00 N ATOM 1735 CA LYS C 70 9.904 1.282 5.954 1.00 0.00 C ATOM 1736 C LYS C 70 10.071 -0.081 5.285 1.00 0.00 C ATOM 1737 O LYS C 70 9.342 -1.031 5.569 1.00 0.00 O ATOM 1738 CB LYS C 70 11.010 1.517 6.986 1.00 0.00 C ATOM 1739 CG LYS C 70 10.884 2.864 7.676 1.00 0.00 C ATOM 1740 CD LYS C 70 11.974 3.081 8.713 1.00 0.00 C ATOM 1741 CE LYS C 70 11.743 2.212 9.942 1.00 0.00 C ATOM 1742 NZ LYS C 70 12.785 2.421 10.982 1.00 0.00 N ATOM 0 H LYS C 70 7.936 2.000 5.959 1.00 0.00 H new ATOM 0 HA LYS C 70 9.987 2.017 5.154 1.00 0.00 H new ATOM 0 HB2 LYS C 70 10.979 0.725 7.734 1.00 0.00 H new ATOM 0 HB3 LYS C 70 11.981 1.453 6.494 1.00 0.00 H new ATOM 0 HG2 LYS C 70 10.930 3.658 6.931 1.00 0.00 H new ATOM 0 HG3 LYS C 70 9.908 2.935 8.157 1.00 0.00 H new ATOM 0 HD2 LYS C 70 12.946 2.849 8.277 1.00 0.00 H new ATOM 0 HD3 LYS C 70 11.998 4.131 9.005 1.00 0.00 H new ATOM 0 HE2 LYS C 70 10.762 2.434 10.363 1.00 0.00 H new ATOM 0 HE3 LYS C 70 11.733 1.163 9.646 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 12.587 1.809 11.799 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 13.719 2.184 10.590 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 12.779 3.416 11.285 1.00 0.00 H new ATOM 1756 N LYS C 71 11.044 -0.126 4.363 1.00 0.00 N ATOM 1757 CA LYS C 71 11.469 -1.347 3.667 1.00 0.00 C ATOM 1758 C LYS C 71 10.444 -1.830 2.642 1.00 0.00 C ATOM 1759 O LYS C 71 9.512 -2.564 2.967 1.00 0.00 O ATOM 1760 CB LYS C 71 11.798 -2.469 4.653 1.00 0.00 C ATOM 1761 CG LYS C 71 12.876 -2.105 5.662 1.00 0.00 C ATOM 1762 CD LYS C 71 14.191 -1.758 4.987 1.00 0.00 C ATOM 1763 CE LYS C 71 15.247 -1.364 6.005 1.00 0.00 C ATOM 1764 NZ LYS C 71 15.553 -2.472 6.946 1.00 0.00 N ATOM 0 H LYS C 71 11.567 0.701 4.076 1.00 0.00 H new ATOM 0 HA LYS C 71 12.375 -1.082 3.122 1.00 0.00 H new ATOM 0 HB2 LYS C 71 10.890 -2.746 5.189 1.00 0.00 H new ATOM 0 HB3 LYS C 71 12.119 -3.348 4.094 1.00 0.00 H new ATOM 0 HG2 LYS C 71 12.541 -1.258 6.261 1.00 0.00 H new ATOM 0 HG3 LYS C 71 13.029 -2.939 6.347 1.00 0.00 H new ATOM 0 HD2 LYS C 71 14.542 -2.613 4.408 1.00 0.00 H new ATOM 0 HD3 LYS C 71 14.037 -0.939 4.285 1.00 0.00 H new ATOM 0 HE2 LYS C 71 16.158 -1.067 5.486 1.00 0.00 H new ATOM 0 HE3 LYS C 71 14.903 -0.496 6.567 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 16.419 -2.248 7.476 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 14.762 -2.592 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 15.692 -3.353 6.411 1.00 0.00 H new ATOM 1778 N LEU C 72 10.652 -1.431 1.390 1.00 0.00 N ATOM 1779 CA LEU C 72 9.814 -1.848 0.280 1.00 0.00 C ATOM 1780 C LEU C 72 9.870 -3.359 0.063 1.00 0.00 C ATOM 1781 O LEU C 72 8.871 -3.985 -0.285 1.00 0.00 O ATOM 1782 CB LEU C 72 10.283 -1.153 -0.983 1.00 0.00 C ATOM 1783 CG LEU C 72 9.926 0.323 -1.116 1.00 0.00 C ATOM 1784 CD1 LEU C 72 8.422 0.514 -1.217 1.00 0.00 C ATOM 1785 CD2 LEU C 72 10.504 1.163 0.014 1.00 0.00 C ATOM 0 H LEU C 72 11.412 -0.806 1.120 1.00 0.00 H new ATOM 0 HA LEU C 72 8.785 -1.577 0.515 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.367 -1.249 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU C 72 9.867 -1.684 -1.840 1.00 0.00 H new ATOM 0 HG LEU C 72 10.382 0.675 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU C 72 8.196 1.576 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU C 72 8.046 -0.016 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU C 72 7.944 0.119 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU C 72 10.221 2.206 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU C 72 10.115 0.807 0.968 1.00 0.00 H new ATOM 0 HD23 LEU C 72 11.591 1.078 0.011 1.00 0.00 H new ATOM 1797 N GLN C 73 11.051 -3.941 0.264 1.00 0.00 N ATOM 1798 CA GLN C 73 11.279 -5.340 -0.003 1.00 0.00 C ATOM 1799 C GLN C 73 10.539 -6.248 0.968 1.00 0.00 C ATOM 1800 O GLN C 73 10.336 -7.426 0.685 1.00 0.00 O ATOM 1801 CB GLN C 73 12.770 -5.612 0.048 1.00 0.00 C ATOM 1802 CG GLN C 73 13.485 -4.986 1.240 1.00 0.00 C ATOM 1803 CD GLN C 73 14.929 -5.445 1.385 1.00 0.00 C ATOM 1804 OE1 GLN C 73 15.463 -5.493 2.493 1.00 0.00 O ATOM 1805 NE2 GLN C 73 15.572 -5.791 0.277 1.00 0.00 N ATOM 0 H GLN C 73 11.870 -3.446 0.617 1.00 0.00 H new ATOM 0 HA GLN C 73 10.887 -5.564 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.930 -6.690 0.070 1.00 0.00 H new ATOM 0 HB3 GLN C 73 13.226 -5.241 -0.870 1.00 0.00 H new ATOM 0 HG2 GLN C 73 13.464 -3.901 1.138 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.940 -5.231 2.152 1.00 0.00 H new ATOM 0 HE21 GLN C 73 15.098 -5.739 -0.625 1.00 0.00 H new ATOM 0 HE22 GLN C 73 16.540 -6.109 0.327 1.00 0.00 H new ATOM 1814 N GLU C 74 10.136 -5.708 2.109 1.00 0.00 N ATOM 1815 CA GLU C 74 9.322 -6.466 3.044 1.00 0.00 C ATOM 1816 C GLU C 74 7.923 -6.635 2.478 1.00 0.00 C ATOM 1817 O GLU C 74 7.228 -7.605 2.780 1.00 0.00 O ATOM 1818 CB GLU C 74 9.272 -5.797 4.414 1.00 0.00 C ATOM 1819 CG GLU C 74 10.621 -5.743 5.105 1.00 0.00 C ATOM 1820 CD GLU C 74 10.503 -5.539 6.599 1.00 0.00 C ATOM 1821 OE1 GLU C 74 10.229 -4.403 7.035 1.00 0.00 O ATOM 1822 OE2 GLU C 74 10.682 -6.522 7.349 1.00 0.00 O ATOM 0 H GLU C 74 10.357 -4.758 2.406 1.00 0.00 H new ATOM 0 HA GLU C 74 9.777 -7.447 3.180 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.888 -4.783 4.302 1.00 0.00 H new ATOM 0 HB3 GLU C 74 8.568 -6.336 5.048 1.00 0.00 H new ATOM 0 HG2 GLU C 74 11.162 -6.669 4.910 1.00 0.00 H new ATOM 0 HG3 GLU C 74 11.212 -4.933 4.677 1.00 0.00 H new ATOM 1829 N TYR C 75 7.519 -5.681 1.651 1.00 0.00 N ATOM 1830 CA TYR C 75 6.229 -5.744 0.998 1.00 0.00 C ATOM 1831 C TYR C 75 6.351 -6.517 -0.307 1.00 0.00 C ATOM 1832 O TYR C 75 5.371 -7.044 -0.833 1.00 0.00 O ATOM 1833 CB TYR C 75 5.696 -4.340 0.727 1.00 0.00 C ATOM 1834 CG TYR C 75 5.702 -3.434 1.939 1.00 0.00 C ATOM 1835 CD1 TYR C 75 5.055 -3.800 3.113 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.339 -2.203 1.899 1.00 0.00 C ATOM 1837 CE1 TYR C 75 5.044 -2.963 4.211 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.336 -1.362 2.996 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.685 -1.745 4.148 1.00 0.00 C ATOM 1840 OH TYR C 75 5.666 -0.905 5.238 1.00 0.00 O ATOM 0 H TYR C 75 8.071 -4.855 1.419 1.00 0.00 H new ATOM 0 HA TYR C 75 5.528 -6.257 1.656 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.295 -3.881 -0.060 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.677 -4.416 0.348 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.553 -4.755 3.167 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.846 -1.896 0.996 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.535 -3.262 5.116 1.00 0.00 H new ATOM 0 HE2 TYR C 75 6.842 -0.409 2.950 1.00 0.00 H new ATOM 0 HH TYR C 75 5.593 0.024 4.934 1.00 0.00 H new ATOM 1850 N ASN C 76 7.591 -6.560 -0.818 1.00 0.00 N ATOM 1851 CA ASN C 76 7.941 -7.340 -2.003 1.00 0.00 C ATOM 1852 C ASN C 76 7.153 -6.859 -3.221 1.00 0.00 C ATOM 1853 O ASN C 76 6.694 -7.647 -4.046 1.00 0.00 O ATOM 1854 CB ASN C 76 7.691 -8.829 -1.740 1.00 0.00 C ATOM 1855 CG ASN C 76 8.215 -9.726 -2.848 1.00 0.00 C ATOM 1856 OD1 ASN C 76 9.219 -9.420 -3.492 1.00 0.00 O ATOM 1857 ND2 ASN C 76 7.538 -10.837 -3.075 1.00 0.00 N ATOM 0 H ASN C 76 8.378 -6.051 -0.416 1.00 0.00 H new ATOM 0 HA ASN C 76 9.000 -7.198 -2.217 1.00 0.00 H new ATOM 0 HB2 ASN C 76 8.164 -9.110 -0.799 1.00 0.00 H new ATOM 0 HB3 ASN C 76 6.620 -8.996 -1.621 1.00 0.00 H new ATOM 0 HD21 ASN C 76 7.842 -11.479 -3.807 1.00 0.00 H new ATOM 0 HD22 ASN C 76 6.711 -11.053 -2.518 1.00 0.00 H new ATOM 1864 N VAL C 77 7.013 -5.549 -3.334 1.00 0.00 N ATOM 1865 CA VAL C 77 6.203 -4.956 -4.394 1.00 0.00 C ATOM 1866 C VAL C 77 7.021 -4.612 -5.642 1.00 0.00 C ATOM 1867 O VAL C 77 6.664 -3.713 -6.402 1.00 0.00 O ATOM 1868 CB VAL C 77 5.479 -3.696 -3.891 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.457 -4.074 -2.836 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.471 -2.684 -3.333 1.00 0.00 C ATOM 0 H VAL C 77 7.448 -4.873 -2.707 1.00 0.00 H new ATOM 0 HA VAL C 77 5.470 -5.712 -4.676 1.00 0.00 H new ATOM 0 HB VAL C 77 4.965 -3.233 -4.733 1.00 0.00 H new ATOM 0 HG11 VAL C 77 3.948 -3.177 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL C 77 3.727 -4.760 -3.266 1.00 0.00 H new ATOM 0 HG13 VAL C 77 4.960 -4.557 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL C 77 5.934 -1.802 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL C 77 7.016 -3.130 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL C 77 7.174 -2.395 -4.114 1.00 0.00 H new ATOM 1880 N GLY C 78 8.109 -5.335 -5.858 1.00 0.00 N ATOM 1881 CA GLY C 78 8.919 -5.115 -7.019 1.00 0.00 C ATOM 1882 C GLY C 78 8.323 -5.698 -8.257 1.00 0.00 C ATOM 1883 O GLY C 78 8.357 -6.903 -8.509 1.00 0.00 O ATOM 0 H GLY C 78 8.441 -6.075 -5.239 1.00 0.00 H new ATOM 0 HA2 GLY C 78 9.062 -4.044 -7.159 1.00 0.00 H new ATOM 0 HA3 GLY C 78 9.905 -5.549 -6.856 1.00 0.00 H new ATOM 1887 N GLY C 79 7.758 -4.808 -8.989 1.00 0.00 N ATOM 1888 CA GLY C 79 7.254 -5.104 -10.316 1.00 0.00 C ATOM 1889 C GLY C 79 5.777 -5.443 -10.356 1.00 0.00 C ATOM 1890 O GLY C 79 5.280 -5.959 -11.356 1.00 0.00 O ATOM 0 H GLY C 79 7.622 -3.840 -8.698 1.00 0.00 H new ATOM 0 HA2 GLY C 79 7.436 -4.245 -10.962 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.819 -5.940 -10.729 1.00 0.00 H new ATOM 1894 N LYS C 80 5.073 -5.165 -9.275 1.00 0.00 N ATOM 1895 CA LYS C 80 3.632 -5.420 -9.211 1.00 0.00 C ATOM 1896 C LYS C 80 2.902 -4.152 -8.785 1.00 0.00 C ATOM 1897 O LYS C 80 3.450 -3.361 -8.018 1.00 0.00 O ATOM 1898 CB LYS C 80 3.332 -6.539 -8.213 1.00 0.00 C ATOM 1899 CG LYS C 80 4.135 -7.816 -8.435 1.00 0.00 C ATOM 1900 CD LYS C 80 3.798 -8.486 -9.758 1.00 0.00 C ATOM 1901 CE LYS C 80 4.598 -9.768 -9.952 1.00 0.00 C ATOM 1902 NZ LYS C 80 6.066 -9.525 -9.932 1.00 0.00 N ATOM 0 H LYS C 80 5.468 -4.762 -8.425 1.00 0.00 H new ATOM 0 HA LYS C 80 3.289 -5.725 -10.199 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.528 -6.172 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS C 80 2.270 -6.779 -8.264 1.00 0.00 H new ATOM 0 HG2 LYS C 80 5.199 -7.583 -8.409 1.00 0.00 H new ATOM 0 HG3 LYS C 80 3.941 -8.511 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS C 80 2.732 -8.712 -9.792 1.00 0.00 H new ATOM 0 HD3 LYS C 80 4.005 -7.799 -10.579 1.00 0.00 H new ATOM 0 HE2 LYS C 80 4.339 -10.478 -9.167 1.00 0.00 H new ATOM 0 HE3 LYS C 80 4.321 -10.227 -10.901 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 6.562 -10.369 -10.282 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 6.292 -8.713 -10.541 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 6.371 -9.323 -8.959 1.00 0.00 H new ATOM 1916 N VAL C 81 1.673 -3.948 -9.274 1.00 0.00 N ATOM 1917 CA VAL C 81 0.926 -2.745 -8.914 1.00 0.00 C ATOM 1918 C VAL C 81 0.291 -2.841 -7.536 1.00 0.00 C ATOM 1919 O VAL C 81 -0.419 -3.797 -7.217 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.172 -2.327 -9.909 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.376 -1.628 -11.130 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.008 -3.484 -10.328 1.00 0.00 C ATOM 0 H VAL C 81 1.187 -4.585 -9.905 1.00 0.00 H new ATOM 0 HA VAL C 81 1.700 -1.977 -8.931 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.797 -1.615 -9.370 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.445 -1.358 -11.794 1.00 0.00 H new ATOM 0 HG12 VAL C 81 0.908 -0.727 -10.825 1.00 0.00 H new ATOM 0 HG13 VAL C 81 1.062 -2.294 -11.654 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -1.771 -3.147 -11.030 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -0.378 -4.233 -10.809 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -1.488 -3.922 -9.453 1.00 0.00 H new ATOM 1932 N ILE C 82 0.570 -1.834 -6.729 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.077 -1.653 -5.443 1.00 0.00 C ATOM 1934 C ILE C 82 -1.353 -0.825 -5.630 1.00 0.00 C ATOM 1935 O ILE C 82 -1.633 -0.377 -6.731 1.00 0.00 O ATOM 1936 CB ILE C 82 0.870 -0.920 -4.467 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.233 -1.540 -4.475 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.326 -0.898 -3.049 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.226 -0.793 -3.618 1.00 0.00 C ATOM 0 H ILE C 82 1.257 -1.113 -6.949 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.326 -2.630 -5.029 1.00 0.00 H new ATOM 0 HB ILE C 82 0.942 0.110 -4.816 1.00 0.00 H new ATOM 0 HG12 ILE C 82 2.160 -2.569 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.603 -1.579 -5.500 1.00 0.00 H new ATOM 0 HG21 ILE C 82 1.026 -0.372 -2.399 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.636 -0.386 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE C 82 0.198 -1.920 -2.693 1.00 0.00 H new ATOM 0 HD11 ILE C 82 4.194 -1.291 -3.665 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.325 0.229 -3.983 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.876 -0.777 -2.586 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.148 -0.653 -4.582 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.207 0.346 -4.604 1.00 0.00 C ATOM 1953 C HIS C 83 -2.864 1.490 -3.668 1.00 0.00 C ATOM 1954 O HIS C 83 -2.476 1.263 -2.533 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.574 -0.207 -4.180 1.00 0.00 C ATOM 1956 CG HIS C 83 -5.623 0.858 -4.246 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -6.125 1.330 -5.431 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -6.173 1.624 -3.278 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -6.925 2.346 -5.192 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -6.977 2.551 -3.892 1.00 0.00 N ATOM 0 H HIS C 83 -2.081 -1.186 -3.715 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.278 0.680 -5.639 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.852 -1.038 -4.828 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -4.513 -0.601 -3.166 1.00 0.00 H new ATOM 0 HD1 HIS C 83 -5.911 0.952 -6.354 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -6.010 1.525 -2.215 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -7.453 2.919 -5.940 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.024 2.712 -4.133 1.00 0.00 N ATOM 1970 CA LEU C 84 -2.918 3.858 -3.250 1.00 0.00 C ATOM 1971 C LEU C 84 -4.263 4.514 -2.996 1.00 0.00 C ATOM 1972 O LEU C 84 -5.099 4.649 -3.891 1.00 0.00 O ATOM 1973 CB LEU C 84 -1.939 4.876 -3.795 1.00 0.00 C ATOM 1974 CG LEU C 84 -0.572 4.829 -3.134 1.00 0.00 C ATOM 1975 CD1 LEU C 84 0.375 5.793 -3.801 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -0.709 5.160 -1.666 1.00 0.00 C ATOM 0 H LEU C 84 -3.226 2.937 -5.107 1.00 0.00 H new ATOM 0 HA LEU C 84 -2.546 3.484 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -1.820 4.714 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -2.359 5.874 -3.668 1.00 0.00 H new ATOM 0 HG LEU C 84 -0.163 3.824 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU C 84 1.348 5.744 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU C 84 0.483 5.528 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -0.020 6.806 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU C 84 0.272 5.126 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -1.131 6.159 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -1.367 4.434 -1.189 1.00 0.00 H new ATOM 1988 N VAL C 85 -4.465 4.881 -1.750 1.00 0.00 N ATOM 1989 CA VAL C 85 -5.669 5.569 -1.316 1.00 0.00 C ATOM 1990 C VAL C 85 -5.375 6.345 -0.049 1.00 0.00 C ATOM 1991 O VAL C 85 -4.229 6.435 0.387 1.00 0.00 O ATOM 1992 CB VAL C 85 -6.849 4.600 -1.093 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -6.765 3.929 0.256 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -8.206 5.271 -1.312 1.00 0.00 C ATOM 0 H VAL C 85 -3.795 4.711 -1.000 1.00 0.00 H new ATOM 0 HA VAL C 85 -5.969 6.254 -2.109 1.00 0.00 H new ATOM 0 HB VAL C 85 -6.765 3.822 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -7.611 3.254 0.380 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -5.836 3.363 0.324 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -6.787 4.685 1.041 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -9.002 4.546 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -8.318 6.102 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -8.267 5.644 -2.334 1.00 0.00 H new ATOM 2004 N GLU C 86 -6.415 6.882 0.528 1.00 0.00 N ATOM 2005 CA GLU C 86 -6.328 7.677 1.717 1.00 0.00 C ATOM 2006 C GLU C 86 -6.637 6.846 2.962 1.00 0.00 C ATOM 2007 O GLU C 86 -7.448 5.922 2.921 1.00 0.00 O ATOM 2008 CB GLU C 86 -7.311 8.824 1.597 1.00 0.00 C ATOM 2009 CG GLU C 86 -8.688 8.416 1.106 1.00 0.00 C ATOM 2010 CD GLU C 86 -9.667 9.570 1.129 1.00 0.00 C ATOM 2011 OE1 GLU C 86 -10.104 9.962 2.235 1.00 0.00 O ATOM 2012 OE2 GLU C 86 -9.998 10.099 0.048 1.00 0.00 O ATOM 0 H GLU C 86 -7.366 6.775 0.175 1.00 0.00 H new ATOM 0 HA GLU C 86 -5.312 8.058 1.822 1.00 0.00 H new ATOM 0 HB2 GLU C 86 -7.412 9.304 2.570 1.00 0.00 H new ATOM 0 HB3 GLU C 86 -6.901 9.569 0.915 1.00 0.00 H new ATOM 0 HG2 GLU C 86 -8.610 8.028 0.090 1.00 0.00 H new ATOM 0 HG3 GLU C 86 -9.069 7.606 1.728 1.00 0.00 H new ATOM 2019 N ARG C 87 -5.963 7.175 4.057 1.00 0.00 N ATOM 2020 CA ARG C 87 -6.194 6.542 5.341 1.00 0.00 C ATOM 2021 C ARG C 87 -7.508 7.015 5.942 1.00 0.00 C ATOM 2022 O ARG C 87 -8.197 7.871 5.376 1.00 0.00 O ATOM 2023 CB ARG C 87 -5.050 6.856 6.308 1.00 0.00 C ATOM 2024 CG ARG C 87 -3.672 6.598 5.726 1.00 0.00 C ATOM 2025 CD ARG C 87 -2.574 6.796 6.756 1.00 0.00 C ATOM 2026 NE ARG C 87 -1.242 6.625 6.174 1.00 0.00 N ATOM 2027 CZ ARG C 87 -0.115 6.615 6.884 1.00 0.00 C ATOM 2028 NH1 ARG C 87 -0.162 6.732 8.205 1.00 0.00 N ATOM 2029 NH2 ARG C 87 1.056 6.488 6.274 1.00 0.00 N ATOM 0 H ARG C 87 -5.238 7.892 4.075 1.00 0.00 H new ATOM 0 HA ARG C 87 -6.242 5.465 5.181 1.00 0.00 H new ATOM 0 HB2 ARG C 87 -5.118 7.901 6.610 1.00 0.00 H new ATOM 0 HB3 ARG C 87 -5.172 6.255 7.209 1.00 0.00 H new ATOM 0 HG2 ARG C 87 -3.627 5.580 5.339 1.00 0.00 H new ATOM 0 HG3 ARG C 87 -3.503 7.268 4.883 1.00 0.00 H new ATOM 0 HD2 ARG C 87 -2.656 7.794 7.187 1.00 0.00 H new ATOM 0 HD3 ARG C 87 -2.708 6.085 7.571 1.00 0.00 H new ATOM 0 HE ARG C 87 -1.172 6.506 5.163 1.00 0.00 H new ATOM 0 HH11 ARG C 87 -1.061 6.830 8.677 1.00 0.00 H new ATOM 0 HH12 ARG C 87 0.701 6.724 8.749 1.00 0.00 H new ATOM 0 HH21 ARG C 87 1.095 6.398 5.259 1.00 0.00 H new ATOM 0 HH22 ARG C 87 1.917 6.481 6.820 1.00 0.00 H new ATOM 2043 N ALA C 88 -7.844 6.457 7.089 1.00 0.00 N ATOM 2044 CA ALA C 88 -9.070 6.798 7.775 1.00 0.00 C ATOM 2045 C ALA C 88 -9.053 8.241 8.265 1.00 0.00 C ATOM 2046 O ALA C 88 -7.996 8.793 8.584 1.00 0.00 O ATOM 2047 CB ALA C 88 -9.304 5.860 8.945 1.00 0.00 C ATOM 0 H ALA C 88 -7.276 5.758 7.568 1.00 0.00 H new ATOM 0 HA ALA C 88 -9.886 6.690 7.060 1.00 0.00 H new ATOM 0 HB1 ALA C 88 -10.231 6.132 9.449 1.00 0.00 H new ATOM 0 HB2 ALA C 88 -9.376 4.835 8.581 1.00 0.00 H new ATOM 0 HB3 ALA C 88 -8.473 5.938 9.646 1.00 0.00 H new ATOM 2053 N PRO C 89 -10.228 8.873 8.287 1.00 0.00 N ATOM 2054 CA PRO C 89 -10.410 10.203 8.857 1.00 0.00 C ATOM 2055 C PRO C 89 -10.220 10.200 10.368 1.00 0.00 C ATOM 2056 O PRO C 89 -10.567 9.226 11.043 1.00 0.00 O ATOM 2057 CB PRO C 89 -11.856 10.565 8.516 1.00 0.00 C ATOM 2058 CG PRO C 89 -12.253 9.602 7.462 1.00 0.00 C ATOM 2059 CD PRO C 89 -11.475 8.351 7.734 1.00 0.00 C ATOM 0 HA PRO C 89 -9.682 10.911 8.461 1.00 0.00 H new ATOM 0 HB2 PRO C 89 -12.501 10.481 9.391 1.00 0.00 H new ATOM 0 HB3 PRO C 89 -11.933 11.593 8.161 1.00 0.00 H new ATOM 0 HG2 PRO C 89 -13.325 9.409 7.493 1.00 0.00 H new ATOM 0 HG3 PRO C 89 -12.028 9.994 6.470 1.00 0.00 H new ATOM 0 HD2 PRO C 89 -11.990 7.697 8.438 1.00 0.00 H new ATOM 0 HD3 PRO C 89 -11.306 7.772 6.826 1.00 0.00 H new ATOM 2067 N PRO C 90 -9.661 11.281 10.915 1.00 0.00 N ATOM 2068 CA PRO C 90 -9.499 11.438 12.356 1.00 0.00 C ATOM 2069 C PRO C 90 -10.828 11.764 13.040 1.00 0.00 C ATOM 2070 O PRO C 90 -11.099 12.911 13.396 1.00 0.00 O ATOM 2071 CB PRO C 90 -8.521 12.607 12.476 1.00 0.00 C ATOM 2072 CG PRO C 90 -8.705 13.399 11.227 1.00 0.00 C ATOM 2073 CD PRO C 90 -9.132 12.429 10.160 1.00 0.00 C ATOM 0 HA PRO C 90 -9.143 10.528 12.840 1.00 0.00 H new ATOM 0 HB2 PRO C 90 -8.734 13.209 13.359 1.00 0.00 H new ATOM 0 HB3 PRO C 90 -7.494 12.254 12.571 1.00 0.00 H new ATOM 0 HG2 PRO C 90 -9.457 14.175 11.368 1.00 0.00 H new ATOM 0 HG3 PRO C 90 -7.779 13.900 10.946 1.00 0.00 H new ATOM 0 HD2 PRO C 90 -9.890 12.862 9.507 1.00 0.00 H new ATOM 0 HD3 PRO C 90 -8.294 12.138 9.526 1.00 0.00 H new ATOM 2081 N GLN C 91 -11.651 10.738 13.224 1.00 0.00 N ATOM 2082 CA GLN C 91 -12.984 10.910 13.795 1.00 0.00 C ATOM 2083 C GLN C 91 -12.896 11.236 15.289 1.00 0.00 C ATOM 2084 O GLN C 91 -13.850 11.710 15.897 1.00 0.00 O ATOM 2085 CB GLN C 91 -13.828 9.652 13.551 1.00 0.00 C ATOM 2086 CG GLN C 91 -13.869 8.691 14.718 1.00 0.00 C ATOM 2087 CD GLN C 91 -14.493 7.400 14.377 1.00 0.00 C ATOM 2088 OE1 GLN C 91 -15.507 7.312 13.689 1.00 0.00 O ATOM 2089 NE2 GLN C 91 -13.792 6.381 14.790 1.00 0.00 N ATOM 0 H GLN C 91 -11.418 9.774 12.985 1.00 0.00 H new ATOM 0 HA GLN C 91 -13.471 11.751 13.302 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -14.847 9.954 13.309 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -13.435 9.129 12.679 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -12.854 8.515 15.073 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -14.419 9.149 15.540 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -12.959 6.532 15.359 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -14.076 5.433 14.544 1.00 0.00 H new ATOM 2098 N THR C 92 -11.731 10.981 15.865 1.00 0.00 N ATOM 2099 CA THR C 92 -11.470 11.319 17.252 1.00 0.00 C ATOM 2100 C THR C 92 -10.334 12.342 17.322 1.00 0.00 C ATOM 2101 O THR C 92 -9.678 12.503 18.355 1.00 0.00 O ATOM 2102 CB THR C 92 -11.120 10.053 18.070 1.00 0.00 C ATOM 2103 OG1 THR C 92 -10.901 10.384 19.447 1.00 0.00 O ATOM 2104 CG2 THR C 92 -9.887 9.355 17.511 1.00 0.00 C ATOM 0 H THR C 92 -10.947 10.537 15.387 1.00 0.00 H new ATOM 0 HA THR C 92 -12.369 11.755 17.687 1.00 0.00 H new ATOM 0 HB THR C 92 -11.968 9.372 17.995 1.00 0.00 H new ATOM 0 HG1 THR C 92 -10.418 11.235 19.506 1.00 0.00 H new ATOM 0 HG21 THR C 92 -9.668 8.470 18.108 1.00 0.00 H new ATOM 0 HG22 THR C 92 -10.073 9.059 16.478 1.00 0.00 H new ATOM 0 HG23 THR C 92 -9.036 10.036 17.546 1.00 0.00 H new ATOM 2112 N HIS C 93 -10.125 13.032 16.197 1.00 0.00 N ATOM 2113 CA HIS C 93 -9.049 14.017 16.028 1.00 0.00 C ATOM 2114 C HIS C 93 -7.670 13.350 16.007 1.00 0.00 C ATOM 2115 O HIS C 93 -6.915 13.516 15.054 1.00 0.00 O ATOM 2116 CB HIS C 93 -9.108 15.110 17.093 1.00 0.00 C ATOM 2117 CG HIS C 93 -8.203 16.269 16.801 1.00 0.00 C ATOM 2118 ND1 HIS C 93 -7.615 17.037 17.781 1.00 0.00 N ATOM 2119 CD2 HIS C 93 -7.788 16.788 15.622 1.00 0.00 C ATOM 2120 CE1 HIS C 93 -6.877 17.975 17.217 1.00 0.00 C ATOM 2121 NE2 HIS C 93 -6.963 17.844 15.909 1.00 0.00 N ATOM 0 H HIS C 93 -10.706 12.922 15.366 1.00 0.00 H new ATOM 0 HA HIS C 93 -9.205 14.491 15.059 1.00 0.00 H new ATOM 0 HB2 HIS C 93 -10.133 15.470 17.178 1.00 0.00 H new ATOM 0 HB3 HIS C 93 -8.839 14.682 18.059 1.00 0.00 H new ATOM 0 HD2 HIS C 93 -8.057 16.435 14.637 1.00 0.00 H new ATOM 0 HE1 HIS C 93 -6.300 18.724 17.740 1.00 0.00 H new ATOM 0 HE2 HIS C 93 -6.492 18.433 15.222 1.00 0.00 H new ATOM 2130 N LEU C 94 -7.340 12.611 17.055 1.00 0.00 N ATOM 2131 CA LEU C 94 -6.098 11.850 17.099 1.00 0.00 C ATOM 2132 C LEU C 94 -6.399 10.368 16.915 1.00 0.00 C ATOM 2133 O LEU C 94 -6.774 9.686 17.868 1.00 0.00 O ATOM 2134 CB LEU C 94 -5.357 12.063 18.421 1.00 0.00 C ATOM 2135 CG LEU C 94 -4.631 13.405 18.596 1.00 0.00 C ATOM 2136 CD1 LEU C 94 -3.722 13.688 17.411 1.00 0.00 C ATOM 2137 CD2 LEU C 94 -5.617 14.542 18.801 1.00 0.00 C ATOM 0 H LEU C 94 -7.917 12.521 17.891 1.00 0.00 H new ATOM 0 HA LEU C 94 -5.457 12.203 16.291 1.00 0.00 H new ATOM 0 HB2 LEU C 94 -6.075 11.956 19.234 1.00 0.00 H new ATOM 0 HB3 LEU C 94 -4.625 11.263 18.534 1.00 0.00 H new ATOM 0 HG LEU C 94 -4.013 13.333 19.491 1.00 0.00 H new ATOM 0 HD11 LEU C 94 -3.219 14.644 17.558 1.00 0.00 H new ATOM 0 HD12 LEU C 94 -2.978 12.896 17.326 1.00 0.00 H new ATOM 0 HD13 LEU C 94 -4.316 13.728 16.498 1.00 0.00 H new ATOM 0 HD21 LEU C 94 -5.072 15.478 18.922 1.00 0.00 H new ATOM 0 HD22 LEU C 94 -6.275 14.614 17.935 1.00 0.00 H new ATOM 0 HD23 LEU C 94 -6.212 14.351 19.694 1.00 0.00 H new ATOM 2149 N PRO C 95 -6.244 9.853 15.683 1.00 0.00 N ATOM 2150 CA PRO C 95 -6.553 8.455 15.362 1.00 0.00 C ATOM 2151 C PRO C 95 -5.712 7.482 16.176 1.00 0.00 C ATOM 2152 O PRO C 95 -6.236 6.544 16.778 1.00 0.00 O ATOM 2153 CB PRO C 95 -6.212 8.330 13.874 1.00 0.00 C ATOM 2154 CG PRO C 95 -6.157 9.726 13.356 1.00 0.00 C ATOM 2155 CD PRO C 95 -5.744 10.588 14.512 1.00 0.00 C ATOM 0 HA PRO C 95 -7.590 8.211 15.591 1.00 0.00 H new ATOM 0 HB2 PRO C 95 -5.258 7.822 13.732 1.00 0.00 H new ATOM 0 HB3 PRO C 95 -6.966 7.746 13.347 1.00 0.00 H new ATOM 0 HG2 PRO C 95 -5.444 9.808 12.535 1.00 0.00 H new ATOM 0 HG3 PRO C 95 -7.127 10.035 12.968 1.00 0.00 H new ATOM 0 HD2 PRO C 95 -4.662 10.717 14.551 1.00 0.00 H new ATOM 0 HD3 PRO C 95 -6.181 11.584 14.446 1.00 0.00 H new ATOM 2163 N SER C 96 -4.410 7.731 16.200 1.00 0.00 N ATOM 2164 CA SER C 96 -3.467 6.888 16.910 1.00 0.00 C ATOM 2165 C SER C 96 -2.069 7.479 16.757 1.00 0.00 C ATOM 2166 O SER C 96 -1.911 8.557 16.176 1.00 0.00 O ATOM 2167 CB SER C 96 -3.512 5.454 16.360 1.00 0.00 C ATOM 2168 OG SER C 96 -2.784 4.554 17.182 1.00 0.00 O ATOM 0 H SER C 96 -3.980 8.525 15.726 1.00 0.00 H new ATOM 0 HA SER C 96 -3.731 6.849 17.967 1.00 0.00 H new ATOM 0 HB2 SER C 96 -4.548 5.124 16.288 1.00 0.00 H new ATOM 0 HB3 SER C 96 -3.101 5.438 15.350 1.00 0.00 H new ATOM 0 HG SER C 96 -2.835 3.651 16.804 1.00 0.00 H new ATOM 2174 N GLY C 97 -1.066 6.789 17.273 1.00 0.00 N ATOM 2175 CA GLY C 97 0.294 7.257 17.136 1.00 0.00 C ATOM 2176 C GLY C 97 0.965 7.489 18.471 1.00 0.00 C ATOM 2177 O GLY C 97 0.297 7.710 19.486 1.00 0.00 O ATOM 0 H GLY C 97 -1.170 5.913 17.785 1.00 0.00 H new ATOM 0 HA2 GLY C 97 0.870 6.528 16.566 1.00 0.00 H new ATOM 0 HA3 GLY C 97 0.299 8.185 16.564 1.00 0.00 H new ATOM 2181 N ALA C 98 2.285 7.434 18.470 1.00 0.00 N ATOM 2182 CA ALA C 98 3.061 7.689 19.667 1.00 0.00 C ATOM 2183 C ALA C 98 3.655 9.086 19.609 1.00 0.00 C ATOM 2184 O ALA C 98 4.747 9.291 19.074 1.00 0.00 O ATOM 2185 CB ALA C 98 4.157 6.646 19.826 1.00 0.00 C ATOM 0 H ALA C 98 2.844 7.213 17.646 1.00 0.00 H new ATOM 0 HA ALA C 98 2.404 7.623 20.534 1.00 0.00 H new ATOM 0 HB1 ALA C 98 4.729 6.854 20.730 1.00 0.00 H new ATOM 0 HB2 ALA C 98 3.708 5.655 19.900 1.00 0.00 H new ATOM 0 HB3 ALA C 98 4.820 6.680 18.961 1.00 0.00 H new ATOM 2191 N SER C 99 2.921 10.050 20.141 1.00 0.00 N ATOM 2192 CA SER C 99 3.369 11.429 20.155 1.00 0.00 C ATOM 2193 C SER C 99 4.418 11.640 21.244 1.00 0.00 C ATOM 2194 O SER C 99 4.172 12.304 22.249 1.00 0.00 O ATOM 2195 CB SER C 99 2.178 12.358 20.364 1.00 0.00 C ATOM 2196 OG SER C 99 1.164 12.101 19.402 1.00 0.00 O ATOM 0 H SER C 99 2.008 9.899 20.570 1.00 0.00 H new ATOM 0 HA SER C 99 3.829 11.662 19.195 1.00 0.00 H new ATOM 0 HB2 SER C 99 1.776 12.222 21.368 1.00 0.00 H new ATOM 0 HB3 SER C 99 2.503 13.396 20.289 1.00 0.00 H new ATOM 0 HG SER C 99 0.408 12.706 19.554 1.00 0.00 H new ATOM 2202 N SER C 100 5.581 11.047 21.039 1.00 0.00 N ATOM 2203 CA SER C 100 6.681 11.164 21.973 1.00 0.00 C ATOM 2204 C SER C 100 7.532 12.390 21.654 1.00 0.00 C ATOM 2205 O SER C 100 7.198 13.175 20.761 1.00 0.00 O ATOM 2206 CB SER C 100 7.522 9.887 21.916 1.00 0.00 C ATOM 2207 OG SER C 100 7.742 9.487 20.571 1.00 0.00 O ATOM 0 H SER C 100 5.787 10.473 20.222 1.00 0.00 H new ATOM 0 HA SER C 100 6.288 11.291 22.982 1.00 0.00 H new ATOM 0 HB2 SER C 100 8.478 10.054 22.412 1.00 0.00 H new ATOM 0 HB3 SER C 100 7.016 9.089 22.459 1.00 0.00 H new ATOM 0 HG SER C 100 8.283 8.670 20.557 1.00 0.00 H new ATOM 2213 N GLY C 101 8.617 12.557 22.389 1.00 0.00 N ATOM 2214 CA GLY C 101 9.523 13.655 22.145 1.00 0.00 C ATOM 2215 C GLY C 101 10.737 13.571 23.037 1.00 0.00 C ATOM 2216 O GLY C 101 10.604 13.064 24.170 1.00 0.00 O ATOM 2217 OXT GLY C 101 11.830 13.983 22.606 1.00 0.00 O ATOM 0 H GLY C 101 8.888 11.945 23.158 1.00 0.00 H new ATOM 0 HA2 GLY C 101 9.835 13.647 21.101 1.00 0.00 H new ATOM 0 HA3 GLY C 101 9.007 14.600 22.316 1.00 0.00 H new TER 2221 GLY C 101 HETATM 2222 ZN ZN A 101 -16.367 -2.582 -3.001 1.00 0.00 ZN