USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 737 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 HIS : no HE2:sc= -13.3! C(o=-13!,f=-17!) USER MOD Set 1.2: A 106 HIS : no HD1:sc= -0.0468 X(o=-13,f=-13) USER MOD Set 2.1: A 93 LYS NZ :NH3+ 179:sc= -3.45! (180deg=-3.45!) USER MOD Set 2.2: A 104 LYS NZ :NH3+ -109:sc= -0.11 (180deg=-0.208) USER MOD Set 3.1: A 35 HIS : no HE2:sc= -4.07! C(o=-13!,f=-15!) USER MOD Set 3.2: A 52 HIS : no HE2:sc= -8.88! C(o=-13!,f=-14!) USER MOD Set 4.1: A 30 CYS SG : rot -83:sc= 1.39 USER MOD Set 4.2: A 43 TYR OH : rot 163:sc= 1.31 USER MOD Set 5.1: A 24 THR OG1 : rot 27:sc= 0.074 USER MOD Set 5.2: A 25 HIS : no HD1:sc= -0.404 K(o=-0.1,f=-1.8) USER MOD Set 5.3: A 83 HIS : no HE2:sc= 0.225 K(o=-0.1,f=-1.7) USER MOD Set 6.1: A 22 HIS :FLIP no HE2:sc= -1.31 F(o=-2.9,f=-1.9) USER MOD Set 6.2: A 34 HIS : no HE2:sc= -0.542 K(o=-1.9,f=-3.4) USER MOD Single : A 10 LYS NZ :NH3+ 158:sc= -0.0246 (180deg=-0.194) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -167:sc= -1.29 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -7.5! C(o=-7.5!,f=-9.2!) USER MOD Single : A 21 ASN : amide:sc= -2.23! C(o=-2.2!,f=-5.8!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0643 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -45:sc= 1.03 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -3.2! C(o=-4.8!,f=-3.2!) USER MOD Single : A 40 LYS NZ :NH3+ -155:sc= -0.0164 (180deg=-0.492) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 165:sc= -1.76! USER MOD Single : A 51 CYS SG : rot 180:sc= -0.013 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= -0.0127 (180deg=-0.0127) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 150:sc= -2.05! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -11.8! C(o=-12!,f=-11!) USER MOD Single : A 69 MET CE :methyl -168:sc= -5.31! (180deg=-7.28!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 74 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= -0.117 (180deg=-0.854) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 115:sc= 1.06 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -151:sc= -0.311 (180deg=-1.39!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -13:sc= -0.341! USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 149:sc= -0.405 (180deg=-1.71!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 82:sc= 1.14 USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ALA A 4 -3.540 -9.505 -8.754 1.00 0.00 N ATOM 50 CA ALA A 4 -3.868 -8.100 -8.928 1.00 0.00 C ATOM 51 C ALA A 4 -4.847 -7.949 -10.094 1.00 0.00 C ATOM 52 O ALA A 4 -4.489 -7.548 -11.199 1.00 0.00 O ATOM 53 CB ALA A 4 -2.582 -7.298 -9.140 1.00 0.00 C ATOM 0 HA ALA A 4 -4.355 -7.707 -8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.828 -6.244 -9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.933 -7.414 -8.272 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.068 -7.663 -10.029 1.00 0.00 H new ATOM 59 N PRO A 5 -6.109 -8.284 -9.817 1.00 0.00 N ATOM 60 CA PRO A 5 -7.198 -8.217 -10.768 1.00 0.00 C ATOM 61 C PRO A 5 -7.082 -6.940 -11.588 1.00 0.00 C ATOM 62 O PRO A 5 -6.350 -6.038 -11.183 1.00 0.00 O ATOM 63 CB PRO A 5 -8.464 -8.206 -9.913 1.00 0.00 C ATOM 64 CG PRO A 5 -8.072 -8.945 -8.687 1.00 0.00 C ATOM 65 CD PRO A 5 -6.565 -8.758 -8.528 1.00 0.00 C ATOM 0 HA PRO A 5 -7.198 -9.049 -11.473 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.782 -7.189 -9.682 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.295 -8.692 -10.424 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.604 -8.561 -7.817 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.324 -10.002 -8.774 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.337 -8.040 -7.740 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.077 -9.694 -8.257 1.00 0.00 H new ATOM 73 N ALA A 6 -7.791 -6.886 -12.706 1.00 0.00 N ATOM 74 CA ALA A 6 -7.750 -5.713 -13.562 1.00 0.00 C ATOM 75 C ALA A 6 -8.717 -4.658 -13.021 1.00 0.00 C ATOM 76 O ALA A 6 -9.519 -4.943 -12.133 1.00 0.00 O ATOM 77 CB ALA A 6 -8.075 -6.119 -15.001 1.00 0.00 C ATOM 0 H ALA A 6 -8.397 -7.636 -13.039 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.752 -5.275 -13.565 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.044 -5.239 -15.643 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.342 -6.847 -15.348 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.071 -6.561 -15.038 1.00 0.00 H new ATOM 83 N ASP A 7 -8.611 -3.461 -13.580 1.00 0.00 N ATOM 84 CA ASP A 7 -9.466 -2.362 -13.165 1.00 0.00 C ATOM 85 C ASP A 7 -10.908 -2.861 -13.047 1.00 0.00 C ATOM 86 O ASP A 7 -11.226 -3.961 -13.495 1.00 0.00 O ATOM 87 CB ASP A 7 -9.440 -1.227 -14.190 1.00 0.00 C ATOM 88 CG ASP A 7 -8.185 -1.173 -15.064 1.00 0.00 C ATOM 89 OD1 ASP A 7 -7.222 -0.504 -14.633 1.00 0.00 O ATOM 90 OD2 ASP A 7 -8.218 -1.803 -16.144 1.00 0.00 O ATOM 0 H ASP A 7 -7.946 -3.228 -14.317 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.099 -1.991 -12.208 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.312 -1.323 -14.838 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.538 -0.278 -13.662 1.00 0.00 H new ATOM 95 N GLY A 8 -11.740 -2.026 -12.443 1.00 0.00 N ATOM 96 CA GLY A 8 -13.141 -2.368 -12.260 1.00 0.00 C ATOM 97 C GLY A 8 -13.526 -2.332 -10.780 1.00 0.00 C ATOM 98 O GLY A 8 -14.648 -2.681 -10.418 1.00 0.00 O ATOM 0 H GLY A 8 -11.472 -1.114 -12.074 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.765 -1.671 -12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.332 -3.362 -12.665 1.00 0.00 H new ATOM 102 N LEU A 9 -12.572 -1.908 -9.964 1.00 0.00 N ATOM 103 CA LEU A 9 -12.797 -1.822 -8.531 1.00 0.00 C ATOM 104 C LEU A 9 -13.037 -0.361 -8.143 1.00 0.00 C ATOM 105 O LEU A 9 -12.188 0.495 -8.383 1.00 0.00 O ATOM 106 CB LEU A 9 -11.647 -2.480 -7.767 1.00 0.00 C ATOM 107 CG LEU A 9 -10.887 -1.580 -6.791 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.741 -1.260 -5.562 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.541 -2.197 -6.408 1.00 0.00 C ATOM 0 H LEU A 9 -11.642 -1.620 -10.268 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.693 -2.377 -8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.045 -3.329 -7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.937 -2.878 -8.492 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.676 -0.635 -7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.177 -0.619 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.651 -0.747 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.004 -2.186 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.022 -1.536 -5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.706 -3.164 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.934 -2.331 -7.303 1.00 0.00 H new ATOM 121 N LYS A 10 -14.197 -0.122 -7.550 1.00 0.00 N ATOM 122 CA LYS A 10 -14.559 1.220 -7.126 1.00 0.00 C ATOM 123 C LYS A 10 -15.083 1.173 -5.690 1.00 0.00 C ATOM 124 O LYS A 10 -15.748 0.215 -5.299 1.00 0.00 O ATOM 125 CB LYS A 10 -15.540 1.849 -8.118 1.00 0.00 C ATOM 126 CG LYS A 10 -16.961 1.331 -7.887 1.00 0.00 C ATOM 127 CD LYS A 10 -17.088 -0.132 -8.319 1.00 0.00 C ATOM 128 CE LYS A 10 -18.421 -0.380 -9.028 1.00 0.00 C ATOM 129 NZ LYS A 10 -18.429 0.267 -10.359 1.00 0.00 N ATOM 0 H LYS A 10 -14.899 -0.835 -7.353 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.683 1.868 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.523 2.934 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.228 1.622 -9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.220 1.426 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.670 1.942 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.264 -0.391 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.010 -0.781 -7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.588 -1.452 -9.137 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.239 0.010 -8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.138 -0.194 -10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.665 1.274 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.489 0.176 -10.795 1.00 0.00 H new ATOM 143 N MET A 11 -14.764 2.220 -4.943 1.00 0.00 N ATOM 144 CA MET A 11 -15.194 2.310 -3.558 1.00 0.00 C ATOM 145 C MET A 11 -16.275 3.379 -3.388 1.00 0.00 C ATOM 146 O MET A 11 -15.981 4.574 -3.414 1.00 0.00 O ATOM 147 CB MET A 11 -13.994 2.651 -2.672 1.00 0.00 C ATOM 148 CG MET A 11 -12.752 1.869 -3.105 1.00 0.00 C ATOM 149 SD MET A 11 -11.290 2.862 -2.859 1.00 0.00 S ATOM 150 CE MET A 11 -10.937 2.476 -1.152 1.00 0.00 C ATOM 0 H MET A 11 -14.213 3.013 -5.271 1.00 0.00 H new ATOM 0 HA MET A 11 -15.612 1.347 -3.264 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.791 3.721 -2.725 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.228 2.422 -1.632 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.675 0.945 -2.531 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.837 1.586 -4.154 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.046 3.017 -0.833 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.782 2.771 -0.530 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.767 1.404 -1.049 1.00 0.00 H new ATOM 160 N GLU A 12 -17.503 2.912 -3.218 1.00 0.00 N ATOM 161 CA GLU A 12 -18.629 3.814 -3.045 1.00 0.00 C ATOM 162 C GLU A 12 -19.490 3.366 -1.862 1.00 0.00 C ATOM 163 O GLU A 12 -20.707 3.237 -1.988 1.00 0.00 O ATOM 164 CB GLU A 12 -19.462 3.904 -4.325 1.00 0.00 C ATOM 165 CG GLU A 12 -18.649 3.453 -5.540 1.00 0.00 C ATOM 166 CD GLU A 12 -19.489 3.522 -6.818 1.00 0.00 C ATOM 167 OE1 GLU A 12 -20.552 2.864 -6.834 1.00 0.00 O ATOM 168 OE2 GLU A 12 -19.049 4.231 -7.748 1.00 0.00 O ATOM 0 H GLU A 12 -17.743 1.921 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.242 4.810 -2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.353 3.283 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -19.802 4.929 -4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.766 4.084 -5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.295 2.433 -5.387 1.00 0.00 H new ATOM 175 N ALA A 13 -18.824 3.140 -0.738 1.00 0.00 N ATOM 176 CA ALA A 13 -19.513 2.709 0.466 1.00 0.00 C ATOM 177 C ALA A 13 -20.164 3.920 1.137 1.00 0.00 C ATOM 178 O ALA A 13 -21.133 3.776 1.881 1.00 0.00 O ATOM 179 CB ALA A 13 -18.527 1.991 1.389 1.00 0.00 C ATOM 0 H ALA A 13 -17.815 3.247 -0.637 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.306 2.002 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.044 1.668 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.115 1.122 0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.719 2.671 1.657 1.00 0.00 H new ATOM 185 N THR A 14 -19.605 5.087 0.850 1.00 0.00 N ATOM 186 CA THR A 14 -20.119 6.322 1.417 1.00 0.00 C ATOM 187 C THR A 14 -20.867 7.127 0.352 1.00 0.00 C ATOM 188 O THR A 14 -21.285 6.577 -0.666 1.00 0.00 O ATOM 189 CB THR A 14 -18.945 7.081 2.039 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.353 7.766 0.939 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.840 6.146 2.535 1.00 0.00 C ATOM 0 H THR A 14 -18.802 5.203 0.232 1.00 0.00 H new ATOM 0 HA THR A 14 -20.849 6.123 2.202 1.00 0.00 H new ATOM 0 HB THR A 14 -19.305 7.689 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.476 8.113 1.204 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.031 6.735 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.244 5.475 3.292 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.456 5.561 1.699 1.00 0.00 H new ATOM 199 N LYS A 15 -21.013 8.415 0.624 1.00 0.00 N ATOM 200 CA LYS A 15 -21.704 9.301 -0.298 1.00 0.00 C ATOM 201 C LYS A 15 -20.685 9.936 -1.247 1.00 0.00 C ATOM 202 O LYS A 15 -20.930 11.008 -1.798 1.00 0.00 O ATOM 203 CB LYS A 15 -22.548 10.320 0.469 1.00 0.00 C ATOM 204 CG LYS A 15 -23.496 9.622 1.446 1.00 0.00 C ATOM 205 CD LYS A 15 -24.754 10.461 1.684 1.00 0.00 C ATOM 206 CE LYS A 15 -26.013 9.596 1.597 1.00 0.00 C ATOM 207 NZ LYS A 15 -26.259 8.908 2.884 1.00 0.00 N ATOM 0 H LYS A 15 -20.665 8.867 1.470 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.407 8.739 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.895 11.001 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -23.123 10.923 -0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.775 8.645 1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.985 9.449 2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.700 10.934 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -24.807 11.262 0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -26.871 10.217 1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -25.902 8.861 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -27.117 8.325 2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -25.447 8.300 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -26.386 9.614 3.637 1.00 0.00 H new ATOM 221 N GLN A 16 -19.565 9.247 -1.410 1.00 0.00 N ATOM 222 CA GLN A 16 -18.509 9.730 -2.283 1.00 0.00 C ATOM 223 C GLN A 16 -17.776 8.554 -2.930 1.00 0.00 C ATOM 224 O GLN A 16 -16.770 8.056 -2.430 1.00 0.00 O ATOM 225 CB GLN A 16 -17.535 10.630 -1.519 1.00 0.00 C ATOM 226 CG GLN A 16 -17.985 10.818 -0.068 1.00 0.00 C ATOM 227 CD GLN A 16 -19.116 11.844 0.027 1.00 0.00 C ATOM 228 OE1 GLN A 16 -19.384 12.597 -0.894 1.00 0.00 O ATOM 229 NE2 GLN A 16 -19.761 11.830 1.189 1.00 0.00 N ATOM 0 H GLN A 16 -19.366 8.358 -0.952 1.00 0.00 H new ATOM 0 HA GLN A 16 -18.963 10.329 -3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.537 10.192 -1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.468 11.600 -2.011 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.320 9.864 0.339 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.141 11.145 0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.484 11.172 1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.533 12.477 1.352 1.00 0.00 H new ATOM 238 N PRO A 17 -18.311 8.115 -4.072 1.00 0.00 N ATOM 239 CA PRO A 17 -17.781 7.018 -4.853 1.00 0.00 C ATOM 240 C PRO A 17 -16.417 7.399 -5.409 1.00 0.00 C ATOM 241 O PRO A 17 -16.289 8.482 -5.978 1.00 0.00 O ATOM 242 CB PRO A 17 -18.794 6.813 -5.978 1.00 0.00 C ATOM 243 CG PRO A 17 -20.072 7.545 -5.536 1.00 0.00 C ATOM 244 CD PRO A 17 -19.493 8.677 -4.689 1.00 0.00 C ATOM 0 HA PRO A 17 -17.643 6.109 -4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.419 7.216 -6.919 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -18.988 5.753 -6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.646 7.919 -6.384 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.737 6.900 -4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.244 9.542 -5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.208 9.014 -3.938 1.00 0.00 H new ATOM 252 N VAL A 18 -15.440 6.521 -5.238 1.00 0.00 N ATOM 253 CA VAL A 18 -14.099 6.789 -5.730 1.00 0.00 C ATOM 254 C VAL A 18 -13.519 5.510 -6.337 1.00 0.00 C ATOM 255 O VAL A 18 -13.298 4.528 -5.630 1.00 0.00 O ATOM 256 CB VAL A 18 -13.234 7.363 -4.606 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.814 7.649 -5.098 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.872 8.620 -4.010 1.00 0.00 C ATOM 0 H VAL A 18 -15.550 5.624 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.124 7.541 -6.518 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.170 6.614 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.220 8.056 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.358 6.724 -5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.850 8.371 -5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.237 9.008 -3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.981 9.376 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.853 8.373 -3.604 1.00 0.00 H new ATOM 268 N VAL A 19 -13.288 5.564 -7.641 1.00 0.00 N ATOM 269 CA VAL A 19 -12.737 4.422 -8.351 1.00 0.00 C ATOM 270 C VAL A 19 -11.217 4.407 -8.183 1.00 0.00 C ATOM 271 O VAL A 19 -10.599 5.454 -7.995 1.00 0.00 O ATOM 272 CB VAL A 19 -13.177 4.456 -9.816 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.141 5.174 -10.683 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.446 3.044 -10.340 1.00 0.00 C ATOM 0 H VAL A 19 -13.472 6.380 -8.224 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.119 3.491 -7.932 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.109 5.018 -9.873 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.478 5.184 -11.720 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.019 6.198 -10.331 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.187 4.652 -10.617 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.757 3.096 -11.383 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.537 2.448 -10.262 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.236 2.581 -9.749 1.00 0.00 H new ATOM 284 N PHE A 20 -10.657 3.208 -8.257 1.00 0.00 N ATOM 285 CA PHE A 20 -9.220 3.043 -8.115 1.00 0.00 C ATOM 286 C PHE A 20 -8.730 1.817 -8.887 1.00 0.00 C ATOM 287 O PHE A 20 -9.137 0.693 -8.597 1.00 0.00 O ATOM 288 CB PHE A 20 -8.938 2.840 -6.625 1.00 0.00 C ATOM 289 CG PHE A 20 -7.798 1.861 -6.336 1.00 0.00 C ATOM 290 CD1 PHE A 20 -8.041 0.523 -6.306 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.542 2.329 -6.107 1.00 0.00 C ATOM 292 CE1 PHE A 20 -6.983 -0.385 -6.038 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.484 1.421 -5.839 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.727 0.083 -5.809 1.00 0.00 C ATOM 0 H PHE A 20 -11.172 2.342 -8.413 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.704 3.918 -8.511 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.698 3.804 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.845 2.479 -6.140 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.039 0.151 -6.486 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.349 3.391 -6.129 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.176 -1.447 -6.016 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.486 1.793 -5.659 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.922 -0.608 -5.603 1.00 0.00 H new ATOM 304 N ASN A 21 -7.864 2.074 -9.856 1.00 0.00 N ATOM 305 CA ASN A 21 -7.314 1.005 -10.672 1.00 0.00 C ATOM 306 C ASN A 21 -5.944 0.603 -10.123 1.00 0.00 C ATOM 307 O ASN A 21 -5.113 1.456 -9.817 1.00 0.00 O ATOM 308 CB ASN A 21 -7.129 1.457 -12.121 1.00 0.00 C ATOM 309 CG ASN A 21 -8.340 2.257 -12.605 1.00 0.00 C ATOM 310 OD1 ASN A 21 -8.882 3.097 -11.906 1.00 0.00 O ATOM 311 ND2 ASN A 21 -8.734 1.949 -13.838 1.00 0.00 N ATOM 0 H ASN A 21 -7.529 3.008 -10.095 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.010 0.167 -10.642 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.229 2.067 -12.203 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.984 0.587 -12.761 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.535 2.427 -14.252 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.235 1.235 -14.369 1.00 0.00 H new ATOM 318 N HIS A 22 -5.743 -0.711 -10.012 1.00 0.00 N ATOM 319 CA HIS A 22 -4.499 -1.282 -9.509 1.00 0.00 C ATOM 320 C HIS A 22 -3.346 -0.951 -10.474 1.00 0.00 C ATOM 321 O HIS A 22 -2.204 -0.801 -10.044 1.00 0.00 O ATOM 322 CB HIS A 22 -4.706 -2.784 -9.263 1.00 0.00 C ATOM 323 CG HIS A 22 -5.307 -3.179 -7.934 1.00 0.00 C ATOM 324 ND1 HIS A 22 -4.729 -3.387 -6.704 1.00 0.00 N flip ATOM 325 CD2 HIS A 22 -6.615 -3.398 -7.772 1.00 0.00 C flip ATOM 326 CE1 HIS A 22 -5.714 -3.738 -5.788 1.00 0.00 C flip ATOM 327 NE2 HIS A 22 -6.844 -3.730 -6.492 1.00 0.00 N flip ATOM 0 H HIS A 22 -6.442 -1.408 -10.270 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.217 -0.844 -8.552 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.346 -3.173 -10.055 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.741 -3.281 -9.361 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -3.734 -3.298 -6.496 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.365 -3.321 -8.545 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.590 -3.966 -4.740 1.00 0.00 H new ATOM 335 N SER A 23 -3.688 -0.848 -11.750 1.00 0.00 N ATOM 336 CA SER A 23 -2.697 -0.538 -12.767 1.00 0.00 C ATOM 337 C SER A 23 -2.051 0.817 -12.473 1.00 0.00 C ATOM 338 O SER A 23 -0.843 0.981 -12.633 1.00 0.00 O ATOM 339 CB SER A 23 -3.323 -0.536 -14.163 1.00 0.00 C ATOM 340 OG SER A 23 -3.875 0.735 -14.499 1.00 0.00 O ATOM 0 H SER A 23 -4.637 -0.974 -12.103 1.00 0.00 H new ATOM 0 HA SER A 23 -1.929 -1.312 -12.743 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.567 -0.809 -14.900 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.104 -1.295 -14.211 1.00 0.00 H new ATOM 0 HG SER A 23 -4.263 0.696 -15.398 1.00 0.00 H new ATOM 346 N THR A 24 -2.885 1.755 -12.047 1.00 0.00 N ATOM 347 CA THR A 24 -2.411 3.091 -11.729 1.00 0.00 C ATOM 348 C THR A 24 -1.743 3.105 -10.352 1.00 0.00 C ATOM 349 O THR A 24 -1.258 4.139 -9.898 1.00 0.00 O ATOM 350 CB THR A 24 -3.595 4.052 -11.840 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.619 3.433 -11.066 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.177 4.104 -13.254 1.00 0.00 C ATOM 0 H THR A 24 -3.887 1.616 -11.915 1.00 0.00 H new ATOM 0 HA THR A 24 -1.644 3.417 -12.432 1.00 0.00 H new ATOM 0 HB THR A 24 -3.280 5.051 -11.540 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.212 2.869 -10.376 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.015 4.801 -13.277 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.409 4.437 -13.952 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.523 3.111 -13.542 1.00 0.00 H new ATOM 360 N HIS A 25 -1.738 1.934 -9.716 1.00 0.00 N ATOM 361 CA HIS A 25 -1.147 1.753 -8.395 1.00 0.00 C ATOM 362 C HIS A 25 -0.534 0.345 -8.287 1.00 0.00 C ATOM 363 O HIS A 25 -0.796 -0.371 -7.321 1.00 0.00 O ATOM 364 CB HIS A 25 -2.208 2.064 -7.329 1.00 0.00 C ATOM 365 CG HIS A 25 -2.765 3.469 -7.313 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.789 3.846 -8.085 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.402 4.579 -6.589 1.00 0.00 C ATOM 368 CE1 HIS A 25 -4.054 5.140 -7.851 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.227 5.642 -6.935 1.00 0.00 N ATOM 0 H HIS A 25 -2.145 1.084 -10.105 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.323 2.447 -8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.038 1.371 -7.463 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.776 1.858 -6.350 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.602 4.619 -5.865 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.836 5.702 -8.341 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -3.205 6.594 -6.569 1.00 0.00 H new ATOM 377 N LYS A 26 0.265 -0.004 -9.285 1.00 0.00 N ATOM 378 CA LYS A 26 0.910 -1.306 -9.308 1.00 0.00 C ATOM 379 C LYS A 26 2.381 -1.148 -8.919 1.00 0.00 C ATOM 380 O LYS A 26 3.052 -2.130 -8.604 1.00 0.00 O ATOM 381 CB LYS A 26 0.701 -1.983 -10.663 1.00 0.00 C ATOM 382 CG LYS A 26 1.620 -1.378 -11.726 1.00 0.00 C ATOM 383 CD LYS A 26 1.441 -2.082 -13.072 1.00 0.00 C ATOM 384 CE LYS A 26 2.794 -2.455 -13.681 1.00 0.00 C ATOM 385 NZ LYS A 26 2.625 -2.911 -15.079 1.00 0.00 N ATOM 0 H LYS A 26 0.480 0.593 -10.084 1.00 0.00 H new ATOM 0 HA LYS A 26 0.455 -1.970 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.897 -3.052 -10.574 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.339 -1.874 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.404 -0.315 -11.836 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.658 -1.461 -11.404 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.838 -2.980 -12.939 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.897 -1.432 -13.757 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.463 -1.595 -13.651 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.261 -3.242 -13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.553 -3.160 -15.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.004 -3.745 -15.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.199 -2.149 -15.644 1.00 0.00 H new ATOM 399 N SER A 27 2.839 0.094 -8.953 1.00 0.00 N ATOM 400 CA SER A 27 4.219 0.393 -8.608 1.00 0.00 C ATOM 401 C SER A 27 4.303 0.875 -7.158 1.00 0.00 C ATOM 402 O SER A 27 5.099 1.757 -6.839 1.00 0.00 O ATOM 403 CB SER A 27 4.807 1.443 -9.552 1.00 0.00 C ATOM 404 OG SER A 27 6.155 1.765 -9.218 1.00 0.00 O ATOM 0 H SER A 27 2.279 0.906 -9.214 1.00 0.00 H new ATOM 0 HA SER A 27 4.804 -0.520 -8.715 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.766 1.073 -10.577 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.198 2.346 -9.514 1.00 0.00 H new ATOM 0 HG SER A 27 6.231 1.889 -8.249 1.00 0.00 H new ATOM 410 N VAL A 28 3.470 0.276 -6.319 1.00 0.00 N ATOM 411 CA VAL A 28 3.441 0.634 -4.911 1.00 0.00 C ATOM 412 C VAL A 28 3.487 -0.640 -4.065 1.00 0.00 C ATOM 413 O VAL A 28 2.940 -1.670 -4.457 1.00 0.00 O ATOM 414 CB VAL A 28 2.216 1.503 -4.618 1.00 0.00 C ATOM 415 CG1 VAL A 28 1.982 1.629 -3.111 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.352 2.880 -5.269 1.00 0.00 C ATOM 0 H VAL A 28 2.811 -0.454 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 28 4.316 1.230 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 28 1.345 1.012 -5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.106 2.251 -2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.819 0.639 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.855 2.086 -2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.468 3.477 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.237 3.381 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.448 2.764 -6.349 1.00 0.00 H new ATOM 426 N LYS A 29 4.145 -0.528 -2.920 1.00 0.00 N ATOM 427 CA LYS A 29 4.270 -1.658 -2.015 1.00 0.00 C ATOM 428 C LYS A 29 2.898 -2.308 -1.826 1.00 0.00 C ATOM 429 O LYS A 29 1.958 -1.661 -1.366 1.00 0.00 O ATOM 430 CB LYS A 29 4.930 -1.225 -0.705 1.00 0.00 C ATOM 431 CG LYS A 29 5.971 -2.250 -0.251 1.00 0.00 C ATOM 432 CD LYS A 29 5.828 -2.552 1.242 1.00 0.00 C ATOM 433 CE LYS A 29 7.142 -2.296 1.982 1.00 0.00 C ATOM 434 NZ LYS A 29 6.879 -1.896 3.383 1.00 0.00 N ATOM 0 H LYS A 29 4.597 0.328 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 29 4.927 -2.416 -2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.405 -0.253 -0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.170 -1.106 0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.855 -3.170 -0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.973 -1.871 -0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.040 -1.931 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.526 -3.590 1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.758 -3.195 1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.706 -1.514 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.782 -1.726 3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.310 -1.026 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.360 -2.655 3.869 1.00 0.00 H new ATOM 448 N CYS A 30 2.826 -3.580 -2.191 1.00 0.00 N ATOM 449 CA CYS A 30 1.585 -4.325 -2.067 1.00 0.00 C ATOM 450 C CYS A 30 1.105 -4.222 -0.618 1.00 0.00 C ATOM 451 O CYS A 30 -0.073 -4.431 -0.334 1.00 0.00 O ATOM 452 CB CYS A 30 1.752 -5.780 -2.511 1.00 0.00 C ATOM 453 SG CYS A 30 0.185 -6.667 -2.838 1.00 0.00 S ATOM 0 H CYS A 30 3.607 -4.113 -2.573 1.00 0.00 H new ATOM 0 HA CYS A 30 0.833 -3.896 -2.729 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.361 -5.802 -3.415 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.304 -6.319 -1.741 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.302 -7.115 -1.719 1.00 0.00 H new ATOM 458 N GLY A 31 2.044 -3.901 0.261 1.00 0.00 N ATOM 459 CA GLY A 31 1.732 -3.768 1.674 1.00 0.00 C ATOM 460 C GLY A 31 1.531 -2.300 2.056 1.00 0.00 C ATOM 461 O GLY A 31 1.530 -1.957 3.237 1.00 0.00 O ATOM 0 H GLY A 31 3.021 -3.729 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.830 -4.334 1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.539 -4.195 2.270 1.00 0.00 H new ATOM 465 N ASP A 32 1.367 -1.473 1.033 1.00 0.00 N ATOM 466 CA ASP A 32 1.166 -0.050 1.247 1.00 0.00 C ATOM 467 C ASP A 32 -0.327 0.227 1.433 1.00 0.00 C ATOM 468 O ASP A 32 -0.706 1.124 2.186 1.00 0.00 O ATOM 469 CB ASP A 32 1.651 0.761 0.044 1.00 0.00 C ATOM 470 CG ASP A 32 1.439 2.272 0.155 1.00 0.00 C ATOM 471 OD1 ASP A 32 0.282 2.699 -0.050 1.00 0.00 O ATOM 472 OD2 ASP A 32 2.438 2.966 0.443 1.00 0.00 O ATOM 0 H ASP A 32 1.369 -1.761 0.055 1.00 0.00 H new ATOM 0 HA ASP A 32 1.733 0.242 2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.714 0.568 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.138 0.402 -0.848 1.00 0.00 H new ATOM 477 N CYS A 33 -1.134 -0.558 0.735 1.00 0.00 N ATOM 478 CA CYS A 33 -2.577 -0.408 0.815 1.00 0.00 C ATOM 479 C CYS A 33 -3.126 -1.513 1.719 1.00 0.00 C ATOM 480 O CYS A 33 -3.864 -1.245 2.664 1.00 0.00 O ATOM 481 CB CYS A 33 -3.225 -0.430 -0.571 1.00 0.00 C ATOM 482 SG CYS A 33 -3.429 1.279 -1.194 1.00 0.00 S ATOM 0 H CYS A 33 -0.816 -1.300 0.111 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.821 0.564 1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.608 -1.006 -1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.195 -0.926 -0.520 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.978 1.249 -2.372 1.00 0.00 H new ATOM 487 N HIS A 34 -2.741 -2.749 1.396 1.00 0.00 N ATOM 488 CA HIS A 34 -3.163 -3.929 2.142 1.00 0.00 C ATOM 489 C HIS A 34 -2.177 -4.197 3.294 1.00 0.00 C ATOM 490 O HIS A 34 -1.380 -5.130 3.229 1.00 0.00 O ATOM 491 CB HIS A 34 -3.326 -5.102 1.164 1.00 0.00 C ATOM 492 CG HIS A 34 -4.262 -4.890 -0.003 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.591 -4.935 0.123 1.00 0.00 N ATOM 494 CD2 HIS A 34 -4.012 -4.628 -1.329 1.00 0.00 C ATOM 495 CE1 HIS A 34 -6.149 -4.709 -1.077 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.219 -4.514 -2.010 1.00 0.00 N ATOM 0 H HIS A 34 -2.127 -2.957 0.608 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.134 -3.777 2.614 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.342 -5.354 0.769 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.675 -5.968 1.727 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -6.099 -5.112 0.990 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.032 -4.527 -1.772 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.213 -4.688 -1.262 1.00 0.00 H new ATOM 504 N HIS A 35 -2.264 -3.357 4.326 1.00 0.00 N ATOM 505 CA HIS A 35 -1.411 -3.460 5.504 1.00 0.00 C ATOM 506 C HIS A 35 -1.776 -4.725 6.303 1.00 0.00 C ATOM 507 O HIS A 35 -2.865 -5.279 6.173 1.00 0.00 O ATOM 508 CB HIS A 35 -1.513 -2.155 6.307 1.00 0.00 C ATOM 509 CG HIS A 35 -2.792 -1.930 7.080 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.200 -2.753 8.051 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.744 -0.942 6.991 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.361 -2.297 8.547 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.742 -1.181 7.928 1.00 0.00 N ATOM 0 H HIS A 35 -2.930 -2.586 4.366 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.363 -3.577 5.228 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.681 -2.123 7.010 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.381 -1.321 5.618 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.709 -3.591 8.364 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.720 -0.111 6.302 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.914 -2.773 9.344 1.00 0.00 H new ATOM 521 N PRO A 36 -0.832 -5.166 7.137 1.00 0.00 N ATOM 522 CA PRO A 36 -0.970 -6.333 7.981 1.00 0.00 C ATOM 523 C PRO A 36 -2.091 -6.107 8.986 1.00 0.00 C ATOM 524 O PRO A 36 -2.096 -5.069 9.646 1.00 0.00 O ATOM 525 CB PRO A 36 0.378 -6.469 8.686 1.00 0.00 C ATOM 526 CG PRO A 36 1.345 -5.623 7.923 1.00 0.00 C ATOM 527 CD PRO A 36 0.459 -4.538 7.315 1.00 0.00 C ATOM 0 HA PRO A 36 -1.221 -7.234 7.421 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.308 -6.139 9.723 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.703 -7.509 8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.110 -5.200 8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.863 -6.197 7.155 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.389 -3.671 7.972 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.861 -4.186 6.365 1.00 0.00 H new ATOM 535 N VAL A 37 -3.004 -7.062 9.083 1.00 0.00 N ATOM 536 CA VAL A 37 -4.116 -6.944 10.010 1.00 0.00 C ATOM 537 C VAL A 37 -4.320 -8.280 10.728 1.00 0.00 C ATOM 538 O VAL A 37 -4.569 -9.300 10.088 1.00 0.00 O ATOM 539 CB VAL A 37 -5.366 -6.465 9.270 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.457 -6.041 10.255 1.00 0.00 C ATOM 541 CG2 VAL A 37 -5.029 -5.329 8.302 1.00 0.00 C ATOM 0 H VAL A 37 -2.996 -7.922 8.534 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.900 -6.195 10.772 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.750 -7.301 8.685 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.335 -5.705 9.703 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.727 -6.888 10.885 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.087 -5.228 10.879 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.935 -5.007 7.789 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.609 -4.490 8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.302 -5.679 7.569 1.00 0.00 H new ATOM 551 N ASN A 38 -4.208 -8.230 12.047 1.00 0.00 N ATOM 552 CA ASN A 38 -4.378 -9.424 12.858 1.00 0.00 C ATOM 553 C ASN A 38 -3.238 -10.401 12.563 1.00 0.00 C ATOM 554 O ASN A 38 -3.441 -11.615 12.564 1.00 0.00 O ATOM 555 CB ASN A 38 -5.698 -10.125 12.535 1.00 0.00 C ATOM 556 CG ASN A 38 -6.756 -9.120 12.078 1.00 0.00 C ATOM 557 OD1 ASN A 38 -6.789 -8.003 12.799 1.00 0.00 O flip ATOM 558 ND2 ASN A 38 -7.495 -9.343 11.133 1.00 0.00 N flip ATOM 0 H ASN A 38 -4.002 -7.382 12.574 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.377 -9.124 13.906 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.537 -10.869 11.755 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.055 -10.659 13.416 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.417 -10.222 10.621 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.190 -8.651 10.855 1.00 0.00 H new ATOM 565 N GLY A 39 -2.065 -9.837 12.319 1.00 0.00 N ATOM 566 CA GLY A 39 -0.893 -10.643 12.023 1.00 0.00 C ATOM 567 C GLY A 39 -1.145 -11.556 10.821 1.00 0.00 C ATOM 568 O GLY A 39 -1.044 -12.777 10.933 1.00 0.00 O ATOM 0 H GLY A 39 -1.901 -8.830 12.320 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.042 -9.993 11.818 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.632 -11.245 12.893 1.00 0.00 H new ATOM 572 N LYS A 40 -1.467 -10.929 9.700 1.00 0.00 N ATOM 573 CA LYS A 40 -1.734 -11.670 8.478 1.00 0.00 C ATOM 574 C LYS A 40 -2.304 -10.718 7.425 1.00 0.00 C ATOM 575 O LYS A 40 -3.471 -10.335 7.496 1.00 0.00 O ATOM 576 CB LYS A 40 -2.629 -12.875 8.768 1.00 0.00 C ATOM 577 CG LYS A 40 -3.337 -13.350 7.497 1.00 0.00 C ATOM 578 CD LYS A 40 -4.406 -14.396 7.823 1.00 0.00 C ATOM 579 CE LYS A 40 -4.538 -15.416 6.690 1.00 0.00 C ATOM 580 NZ LYS A 40 -4.571 -14.732 5.378 1.00 0.00 N ATOM 0 H LYS A 40 -1.549 -9.916 9.611 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.810 -12.080 8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.030 -13.687 9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.369 -12.610 9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.797 -12.500 6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.607 -13.773 6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.148 -14.908 8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.364 -13.903 7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.701 -16.114 6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.447 -16.002 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.066 -15.331 4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.072 -13.825 5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.599 -14.559 5.052 1.00 0.00 H new ATOM 594 N GLU A 41 -1.455 -10.365 6.471 1.00 0.00 N ATOM 595 CA GLU A 41 -1.860 -9.465 5.404 1.00 0.00 C ATOM 596 C GLU A 41 -3.352 -9.633 5.106 1.00 0.00 C ATOM 597 O GLU A 41 -3.817 -10.744 4.857 1.00 0.00 O ATOM 598 CB GLU A 41 -1.020 -9.693 4.146 1.00 0.00 C ATOM 599 CG GLU A 41 0.177 -8.741 4.105 1.00 0.00 C ATOM 600 CD GLU A 41 1.227 -9.223 3.102 1.00 0.00 C ATOM 601 OE1 GLU A 41 2.045 -10.078 3.503 1.00 0.00 O ATOM 602 OE2 GLU A 41 1.187 -8.725 1.956 1.00 0.00 O ATOM 0 H GLU A 41 -0.488 -10.686 6.415 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.689 -8.440 5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.669 -10.725 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.638 -9.544 3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.159 -7.740 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.623 -8.669 5.097 1.00 0.00 H new ATOM 609 N ASP A 42 -4.059 -8.513 5.142 1.00 0.00 N ATOM 610 CA ASP A 42 -5.488 -8.523 4.878 1.00 0.00 C ATOM 611 C ASP A 42 -5.758 -7.858 3.527 1.00 0.00 C ATOM 612 O ASP A 42 -5.117 -6.883 3.139 1.00 0.00 O ATOM 613 CB ASP A 42 -6.251 -7.741 5.950 1.00 0.00 C ATOM 614 CG ASP A 42 -7.360 -8.525 6.655 1.00 0.00 C ATOM 615 OD1 ASP A 42 -7.004 -9.419 7.453 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.538 -8.212 6.380 1.00 0.00 O ATOM 0 H ASP A 42 -3.669 -7.593 5.350 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.824 -9.560 4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.540 -7.393 6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.689 -6.855 5.490 1.00 0.00 H new ATOM 621 N TYR A 43 -6.735 -8.415 2.809 1.00 0.00 N ATOM 622 CA TYR A 43 -7.112 -7.904 1.507 1.00 0.00 C ATOM 623 C TYR A 43 -8.614 -7.662 1.461 1.00 0.00 C ATOM 624 O TYR A 43 -9.171 -7.586 0.367 1.00 0.00 O ATOM 625 CB TYR A 43 -6.691 -8.900 0.430 1.00 0.00 C ATOM 626 CG TYR A 43 -5.235 -8.792 0.044 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.239 -8.997 1.006 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.882 -8.486 -1.276 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.889 -8.896 0.648 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.532 -8.385 -1.633 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.536 -8.590 -0.671 1.00 0.00 C ATOM 632 OH TYR A 43 -1.221 -8.491 -1.020 1.00 0.00 O ATOM 0 H TYR A 43 -7.276 -9.223 3.116 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.607 -6.955 1.324 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.891 -9.911 0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.306 -8.746 -0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.512 -9.233 2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.651 -8.328 -2.018 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.120 -9.054 1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.259 -8.149 -2.651 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.136 -8.545 -1.995 1.00 0.00 H new ATOM 642 N ARG A 44 -9.232 -7.548 2.627 1.00 0.00 N ATOM 643 CA ARG A 44 -10.665 -7.316 2.695 1.00 0.00 C ATOM 644 C ARG A 44 -10.962 -5.816 2.665 1.00 0.00 C ATOM 645 O ARG A 44 -10.063 -4.998 2.855 1.00 0.00 O ATOM 646 CB ARG A 44 -11.261 -7.922 3.967 1.00 0.00 C ATOM 647 CG ARG A 44 -11.689 -9.373 3.736 1.00 0.00 C ATOM 648 CD ARG A 44 -12.254 -9.989 5.017 1.00 0.00 C ATOM 649 NE ARG A 44 -11.300 -9.799 6.133 1.00 0.00 N ATOM 650 CZ ARG A 44 -11.648 -9.820 7.437 1.00 0.00 C ATOM 651 NH1 ARG A 44 -12.932 -10.024 7.801 1.00 0.00 N ATOM 652 NH2 ARG A 44 -10.713 -9.639 8.352 1.00 0.00 N ATOM 0 H ARG A 44 -8.767 -7.612 3.532 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.120 -7.797 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.528 -7.879 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.120 -7.332 4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.440 -9.413 2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.835 -9.957 3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.210 -9.526 5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.444 -11.052 4.867 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.319 -9.643 5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.648 -10.164 7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.186 -10.038 8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.745 -9.486 8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.959 -9.652 9.342 1.00 0.00 H new ATOM 665 N LYS A 45 -12.226 -5.500 2.426 1.00 0.00 N ATOM 666 CA LYS A 45 -12.653 -4.112 2.369 1.00 0.00 C ATOM 667 C LYS A 45 -11.894 -3.306 3.425 1.00 0.00 C ATOM 668 O LYS A 45 -11.642 -3.798 4.524 1.00 0.00 O ATOM 669 CB LYS A 45 -14.174 -4.014 2.497 1.00 0.00 C ATOM 670 CG LYS A 45 -14.869 -4.921 1.480 1.00 0.00 C ATOM 671 CD LYS A 45 -16.163 -4.282 0.969 1.00 0.00 C ATOM 672 CE LYS A 45 -17.166 -5.351 0.531 1.00 0.00 C ATOM 673 NZ LYS A 45 -18.532 -4.993 0.976 1.00 0.00 N ATOM 0 H LYS A 45 -12.969 -6.181 2.270 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.409 -3.678 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.476 -4.294 3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.490 -2.982 2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.199 -5.114 0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.091 -5.884 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.602 -3.665 1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.941 -3.622 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.146 -5.454 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.883 -6.317 0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.201 -5.729 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.551 -4.917 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.806 -4.081 0.557 1.00 0.00 H new ATOM 687 N CYS A 46 -11.550 -2.081 3.055 1.00 0.00 N ATOM 688 CA CYS A 46 -10.825 -1.202 3.957 1.00 0.00 C ATOM 689 C CYS A 46 -11.677 -0.991 5.210 1.00 0.00 C ATOM 690 O CYS A 46 -11.159 -1.001 6.326 1.00 0.00 O ATOM 691 CB CYS A 46 -10.460 0.123 3.284 1.00 0.00 C ATOM 692 SG CYS A 46 -9.069 0.025 2.099 1.00 0.00 S ATOM 0 H CYS A 46 -11.760 -1.676 2.143 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.878 -1.664 4.237 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.338 0.503 2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.210 0.850 4.057 1.00 0.00 H new ATOM 0 HG CYS A 46 -8.849 1.201 1.589 1.00 0.00 H new ATOM 697 N GLY A 47 -12.969 -0.805 4.984 1.00 0.00 N ATOM 698 CA GLY A 47 -13.897 -0.591 6.081 1.00 0.00 C ATOM 699 C GLY A 47 -14.234 -1.911 6.779 1.00 0.00 C ATOM 700 O GLY A 47 -13.583 -2.285 7.753 1.00 0.00 O ATOM 0 H GLY A 47 -13.395 -0.798 4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.462 0.104 6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.811 -0.131 5.705 1.00 0.00 H new ATOM 704 N THR A 48 -15.250 -2.579 6.253 1.00 0.00 N ATOM 705 CA THR A 48 -15.680 -3.849 6.813 1.00 0.00 C ATOM 706 C THR A 48 -15.984 -3.698 8.305 1.00 0.00 C ATOM 707 O THR A 48 -15.637 -2.686 8.913 1.00 0.00 O ATOM 708 CB THR A 48 -14.598 -4.889 6.515 1.00 0.00 C ATOM 709 OG1 THR A 48 -13.701 -4.215 5.636 1.00 0.00 O ATOM 710 CG2 THR A 48 -15.125 -6.060 5.684 1.00 0.00 C ATOM 0 H THR A 48 -15.788 -2.265 5.445 1.00 0.00 H new ATOM 0 HA THR A 48 -16.610 -4.188 6.356 1.00 0.00 H new ATOM 0 HB THR A 48 -14.188 -5.265 7.452 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.857 -4.710 5.587 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.317 -6.769 5.501 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.929 -6.558 6.226 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.505 -5.689 4.732 1.00 0.00 H new ATOM 718 N ALA A 49 -16.627 -4.719 8.852 1.00 0.00 N ATOM 719 CA ALA A 49 -16.981 -4.712 10.261 1.00 0.00 C ATOM 720 C ALA A 49 -15.812 -5.266 11.078 1.00 0.00 C ATOM 721 O ALA A 49 -15.342 -6.373 10.823 1.00 0.00 O ATOM 722 CB ALA A 49 -18.268 -5.513 10.468 1.00 0.00 C ATOM 0 H ALA A 49 -16.912 -5.557 8.345 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.171 -3.695 10.604 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.534 -5.508 11.525 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.074 -5.062 9.889 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.114 -6.540 10.138 1.00 0.00 H new ATOM 728 N GLY A 50 -15.378 -4.470 12.045 1.00 0.00 N ATOM 729 CA GLY A 50 -14.274 -4.867 12.901 1.00 0.00 C ATOM 730 C GLY A 50 -13.053 -3.973 12.672 1.00 0.00 C ATOM 731 O GLY A 50 -12.129 -3.958 13.483 1.00 0.00 O ATOM 0 H GLY A 50 -15.771 -3.552 12.254 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.580 -4.810 13.946 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.011 -5.906 12.703 1.00 0.00 H new ATOM 735 N CYS A 51 -13.091 -3.248 11.564 1.00 0.00 N ATOM 736 CA CYS A 51 -12.000 -2.353 11.218 1.00 0.00 C ATOM 737 C CYS A 51 -12.558 -0.932 11.116 1.00 0.00 C ATOM 738 O CYS A 51 -13.396 -0.525 11.918 1.00 0.00 O ATOM 739 CB CYS A 51 -11.301 -2.785 9.927 1.00 0.00 C ATOM 740 SG CYS A 51 -11.148 -4.608 9.878 1.00 0.00 S ATOM 0 H CYS A 51 -13.860 -3.262 10.894 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.237 -2.388 11.996 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.867 -2.436 9.063 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.314 -2.327 9.868 1.00 0.00 H new ATOM 0 HG CYS A 51 -10.555 -4.964 8.777 1.00 0.00 H new ATOM 745 N HIS A 52 -12.067 -0.204 10.112 1.00 0.00 N ATOM 746 CA HIS A 52 -12.479 1.172 9.856 1.00 0.00 C ATOM 747 C HIS A 52 -13.989 1.215 9.557 1.00 0.00 C ATOM 748 O HIS A 52 -14.388 1.241 8.394 1.00 0.00 O ATOM 749 CB HIS A 52 -11.597 1.756 8.743 1.00 0.00 C ATOM 750 CG HIS A 52 -10.105 1.563 8.886 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.347 2.355 9.650 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.253 0.636 8.333 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.073 1.939 9.576 1.00 0.00 C ATOM 754 NE2 HIS A 52 -7.959 0.880 8.777 1.00 0.00 N ATOM 0 H HIS A 52 -11.371 -0.555 9.454 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.333 1.803 10.733 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.908 1.315 7.796 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.797 2.826 8.677 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.682 3.146 10.200 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.544 -0.157 7.660 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.248 2.403 10.097 1.00 0.00 H new ATOM 762 N ASP A 53 -14.777 1.224 10.622 1.00 0.00 N ATOM 763 CA ASP A 53 -16.223 1.265 10.483 1.00 0.00 C ATOM 764 C ASP A 53 -16.742 2.612 10.990 1.00 0.00 C ATOM 765 O ASP A 53 -17.883 2.713 11.438 1.00 0.00 O ATOM 766 CB ASP A 53 -16.888 0.161 11.307 1.00 0.00 C ATOM 767 CG ASP A 53 -18.413 0.103 11.199 1.00 0.00 C ATOM 768 OD1 ASP A 53 -18.894 -0.102 10.064 1.00 0.00 O ATOM 769 OD2 ASP A 53 -19.063 0.264 12.254 1.00 0.00 O ATOM 0 H ASP A 53 -14.442 1.204 11.585 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.464 1.123 9.430 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.480 -0.800 10.995 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.618 0.297 12.354 1.00 0.00 H new ATOM 774 N SER A 54 -15.878 3.614 10.902 1.00 0.00 N ATOM 775 CA SER A 54 -16.235 4.950 11.347 1.00 0.00 C ATOM 776 C SER A 54 -16.357 5.887 10.143 1.00 0.00 C ATOM 777 O SER A 54 -15.377 6.135 9.443 1.00 0.00 O ATOM 778 CB SER A 54 -15.206 5.493 12.340 1.00 0.00 C ATOM 779 OG SER A 54 -15.489 6.837 12.721 1.00 0.00 O ATOM 0 H SER A 54 -14.933 3.527 10.529 1.00 0.00 H new ATOM 0 HA SER A 54 -17.197 4.895 11.856 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.190 4.860 13.227 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.212 5.444 11.895 1.00 0.00 H new ATOM 0 HG SER A 54 -14.810 7.147 13.357 1.00 0.00 H new ATOM 785 N MET A 55 -17.570 6.381 9.939 1.00 0.00 N ATOM 786 CA MET A 55 -17.833 7.285 8.832 1.00 0.00 C ATOM 787 C MET A 55 -18.455 8.592 9.328 1.00 0.00 C ATOM 788 O MET A 55 -19.530 8.982 8.876 1.00 0.00 O ATOM 789 CB MET A 55 -18.781 6.613 7.838 1.00 0.00 C ATOM 790 CG MET A 55 -18.316 5.192 7.511 1.00 0.00 C ATOM 791 SD MET A 55 -18.265 4.958 5.743 1.00 0.00 S ATOM 792 CE MET A 55 -18.020 3.191 5.671 1.00 0.00 C ATOM 0 H MET A 55 -18.381 6.172 10.521 1.00 0.00 H new ATOM 0 HA MET A 55 -16.886 7.517 8.344 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.788 6.583 8.254 1.00 0.00 H new ATOM 0 HB3 MET A 55 -18.831 7.203 6.923 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.329 5.016 7.938 1.00 0.00 H new ATOM 0 HG3 MET A 55 -18.992 4.466 7.963 1.00 0.00 H new ATOM 0 HE1 MET A 55 -17.965 2.873 4.630 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.091 2.931 6.179 1.00 0.00 H new ATOM 0 HE3 MET A 55 -18.854 2.688 6.160 1.00 0.00 H new ATOM 802 N ASP A 56 -17.751 9.233 10.250 1.00 0.00 N ATOM 803 CA ASP A 56 -18.221 10.488 10.811 1.00 0.00 C ATOM 804 C ASP A 56 -17.190 11.584 10.533 1.00 0.00 C ATOM 805 O ASP A 56 -16.252 11.378 9.765 1.00 0.00 O ATOM 806 CB ASP A 56 -18.400 10.380 12.327 1.00 0.00 C ATOM 807 CG ASP A 56 -19.532 11.231 12.906 1.00 0.00 C ATOM 808 OD1 ASP A 56 -19.734 12.344 12.376 1.00 0.00 O ATOM 809 OD2 ASP A 56 -20.170 10.749 13.867 1.00 0.00 O ATOM 0 H ASP A 56 -16.859 8.907 10.622 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.180 10.726 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.583 9.336 12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.466 10.668 12.810 1.00 0.00 H new ATOM 814 N LYS A 57 -17.399 12.725 11.174 1.00 0.00 N ATOM 815 CA LYS A 57 -16.499 13.853 11.005 1.00 0.00 C ATOM 816 C LYS A 57 -16.160 14.439 12.377 1.00 0.00 C ATOM 817 O LYS A 57 -16.892 15.281 12.895 1.00 0.00 O ATOM 818 CB LYS A 57 -17.095 14.872 10.032 1.00 0.00 C ATOM 819 CG LYS A 57 -16.027 15.405 9.074 1.00 0.00 C ATOM 820 CD LYS A 57 -15.339 14.260 8.328 1.00 0.00 C ATOM 821 CE LYS A 57 -14.827 14.723 6.963 1.00 0.00 C ATOM 822 NZ LYS A 57 -15.698 14.211 5.882 1.00 0.00 N ATOM 0 H LYS A 57 -18.178 12.892 11.811 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.561 13.528 10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.901 14.408 9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.534 15.699 10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.484 16.088 8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.286 15.977 9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.508 13.882 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.039 13.435 8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.798 15.812 6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.806 14.372 6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.336 14.534 4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.705 13.171 5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.666 14.567 6.018 1.00 0.00 H new ATOM 836 N LYS A 58 -15.050 13.970 12.927 1.00 0.00 N ATOM 837 CA LYS A 58 -14.604 14.437 14.229 1.00 0.00 C ATOM 838 C LYS A 58 -13.445 13.562 14.711 1.00 0.00 C ATOM 839 O LYS A 58 -12.353 14.063 14.975 1.00 0.00 O ATOM 840 CB LYS A 58 -15.779 14.494 15.208 1.00 0.00 C ATOM 841 CG LYS A 58 -16.271 15.932 15.389 1.00 0.00 C ATOM 842 CD LYS A 58 -15.625 16.582 16.614 1.00 0.00 C ATOM 843 CE LYS A 58 -16.685 17.001 17.635 1.00 0.00 C ATOM 844 NZ LYS A 58 -17.214 18.345 17.311 1.00 0.00 N ATOM 0 H LYS A 58 -14.446 13.271 12.495 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.226 15.457 14.159 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.594 13.870 14.841 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.475 14.086 16.172 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.038 16.515 14.498 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.355 15.938 15.499 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.927 15.883 17.075 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.047 17.453 16.306 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.498 16.276 17.642 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.253 17.005 18.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.932 18.614 18.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.438 19.037 17.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.644 18.330 16.364 1.00 0.00 H new ATOM 858 N ASP A 59 -13.722 12.270 14.809 1.00 0.00 N ATOM 859 CA ASP A 59 -12.715 11.321 15.254 1.00 0.00 C ATOM 860 C ASP A 59 -11.844 10.914 14.065 1.00 0.00 C ATOM 861 O ASP A 59 -12.344 10.370 13.081 1.00 0.00 O ATOM 862 CB ASP A 59 -13.363 10.056 15.821 1.00 0.00 C ATOM 863 CG ASP A 59 -12.390 8.921 16.144 1.00 0.00 C ATOM 864 OD1 ASP A 59 -11.661 8.516 15.213 1.00 0.00 O ATOM 865 OD2 ASP A 59 -12.398 8.483 17.315 1.00 0.00 O ATOM 0 H ASP A 59 -14.629 11.858 14.588 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.119 11.800 16.031 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.905 10.319 16.729 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.099 9.691 15.105 1.00 0.00 H new ATOM 870 N LYS A 60 -10.554 11.192 14.193 1.00 0.00 N ATOM 871 CA LYS A 60 -9.609 10.861 13.141 1.00 0.00 C ATOM 872 C LYS A 60 -8.743 9.682 13.592 1.00 0.00 C ATOM 873 O LYS A 60 -7.635 9.495 13.093 1.00 0.00 O ATOM 874 CB LYS A 60 -8.802 12.097 12.738 1.00 0.00 C ATOM 875 CG LYS A 60 -7.739 12.425 13.789 1.00 0.00 C ATOM 876 CD LYS A 60 -7.445 13.926 13.821 1.00 0.00 C ATOM 877 CE LYS A 60 -6.782 14.327 15.140 1.00 0.00 C ATOM 878 NZ LYS A 60 -6.121 15.645 15.009 1.00 0.00 N ATOM 0 H LYS A 60 -10.142 11.643 15.010 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.136 10.545 12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.324 11.925 11.774 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.471 12.948 12.615 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.080 12.096 14.771 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.823 11.876 13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.794 14.191 12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.372 14.485 13.691 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.529 14.366 15.932 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.049 13.573 15.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.676 15.902 15.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.394 15.596 14.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.828 16.364 14.754 1.00 0.00 H new ATOM 892 N SER A 61 -9.283 8.917 14.529 1.00 0.00 N ATOM 893 CA SER A 61 -8.574 7.762 15.053 1.00 0.00 C ATOM 894 C SER A 61 -8.280 6.773 13.923 1.00 0.00 C ATOM 895 O SER A 61 -8.615 7.028 12.767 1.00 0.00 O ATOM 896 CB SER A 61 -9.377 7.079 16.161 1.00 0.00 C ATOM 897 OG SER A 61 -10.067 8.020 16.979 1.00 0.00 O ATOM 0 H SER A 61 -10.204 9.074 14.939 1.00 0.00 H new ATOM 0 HA SER A 61 -7.632 8.104 15.483 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.095 6.390 15.716 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.706 6.484 16.780 1.00 0.00 H new ATOM 0 HG SER A 61 -10.885 7.611 17.330 1.00 0.00 H new ATOM 903 N ALA A 62 -7.656 5.666 14.297 1.00 0.00 N ATOM 904 CA ALA A 62 -7.313 4.637 13.330 1.00 0.00 C ATOM 905 C ALA A 62 -8.595 3.980 12.813 1.00 0.00 C ATOM 906 O ALA A 62 -8.559 3.210 11.855 1.00 0.00 O ATOM 907 CB ALA A 62 -6.360 3.628 13.974 1.00 0.00 C ATOM 0 H ALA A 62 -7.379 5.459 15.257 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.797 5.072 12.474 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.103 2.856 13.249 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.453 4.139 14.297 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.844 3.169 14.836 1.00 0.00 H new ATOM 913 N LYS A 63 -9.697 4.310 13.471 1.00 0.00 N ATOM 914 CA LYS A 63 -10.988 3.761 13.091 1.00 0.00 C ATOM 915 C LYS A 63 -11.612 4.643 12.008 1.00 0.00 C ATOM 916 O LYS A 63 -12.504 4.205 11.283 1.00 0.00 O ATOM 917 CB LYS A 63 -11.876 3.578 14.323 1.00 0.00 C ATOM 918 CG LYS A 63 -11.658 2.202 14.956 1.00 0.00 C ATOM 919 CD LYS A 63 -12.747 1.219 14.520 1.00 0.00 C ATOM 920 CE LYS A 63 -13.668 0.868 15.689 1.00 0.00 C ATOM 921 NZ LYS A 63 -15.052 0.650 15.211 1.00 0.00 N ATOM 0 H LYS A 63 -9.723 4.950 14.265 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.869 2.766 12.663 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.656 4.357 15.053 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.923 3.691 14.041 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.679 1.817 14.669 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.659 2.293 16.042 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.332 1.654 13.710 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.287 0.311 14.129 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.304 -0.029 16.190 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.654 1.672 16.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.664 0.413 16.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.402 1.516 14.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.063 -0.132 14.526 1.00 0.00 H new ATOM 935 N GLY A 64 -11.119 5.871 11.932 1.00 0.00 N ATOM 936 CA GLY A 64 -11.618 6.818 10.950 1.00 0.00 C ATOM 937 C GLY A 64 -11.391 6.304 9.527 1.00 0.00 C ATOM 938 O GLY A 64 -10.265 6.094 9.080 1.00 0.00 O ATOM 0 H GLY A 64 -10.379 6.231 12.535 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.682 6.989 11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.117 7.778 11.078 1.00 0.00 H new ATOM 942 N TYR A 65 -12.502 6.101 8.816 1.00 0.00 N ATOM 943 CA TYR A 65 -12.458 5.614 7.452 1.00 0.00 C ATOM 944 C TYR A 65 -11.830 6.665 6.548 1.00 0.00 C ATOM 945 O TYR A 65 -10.910 6.366 5.789 1.00 0.00 O ATOM 946 CB TYR A 65 -13.872 5.276 6.988 1.00 0.00 C ATOM 947 CG TYR A 65 -13.909 4.406 5.754 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.878 3.491 5.511 1.00 0.00 C ATOM 949 CD2 TYR A 65 -14.976 4.514 4.854 1.00 0.00 C ATOM 950 CE1 TYR A 65 -12.913 2.684 4.368 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.011 3.707 3.710 1.00 0.00 C ATOM 952 CZ TYR A 65 -13.979 2.792 3.468 1.00 0.00 C ATOM 953 OH TYR A 65 -14.014 2.005 2.354 1.00 0.00 O ATOM 0 H TYR A 65 -13.443 6.270 9.172 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.848 4.712 7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.400 4.769 7.796 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.411 6.202 6.787 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.055 3.408 6.206 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.772 5.219 5.042 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.117 1.978 4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.833 3.790 3.015 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.822 2.206 1.837 1.00 0.00 H new ATOM 963 N TYR A 66 -12.329 7.900 6.632 1.00 0.00 N ATOM 964 CA TYR A 66 -11.816 8.987 5.822 1.00 0.00 C ATOM 965 C TYR A 66 -10.490 9.473 6.389 1.00 0.00 C ATOM 966 O TYR A 66 -9.894 10.382 5.814 1.00 0.00 O ATOM 967 CB TYR A 66 -12.837 10.120 5.788 1.00 0.00 C ATOM 968 CG TYR A 66 -12.252 11.446 5.364 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.522 12.214 6.279 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.441 11.908 4.056 1.00 0.00 C ATOM 971 CE1 TYR A 66 -10.980 13.443 5.887 1.00 0.00 C ATOM 972 CE2 TYR A 66 -11.899 13.138 3.663 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.168 13.906 4.579 1.00 0.00 C ATOM 974 OH TYR A 66 -10.641 15.104 4.196 1.00 0.00 O ATOM 0 H TYR A 66 -13.090 8.164 7.257 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.646 8.637 4.804 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.642 9.852 5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.281 10.228 6.777 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.377 11.858 7.288 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.005 11.316 3.350 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.417 14.035 6.593 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.044 13.495 2.654 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.864 15.274 3.257 1.00 0.00 H new ATOM 984 N HIS A 67 -10.058 8.870 7.487 1.00 0.00 N ATOM 985 CA HIS A 67 -8.803 9.257 8.110 1.00 0.00 C ATOM 986 C HIS A 67 -7.697 8.292 7.679 1.00 0.00 C ATOM 987 O HIS A 67 -6.520 8.538 7.935 1.00 0.00 O ATOM 988 CB HIS A 67 -8.955 9.345 9.630 1.00 0.00 C ATOM 989 CG HIS A 67 -7.667 9.133 10.389 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.797 10.166 10.691 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.112 7.999 10.904 1.00 0.00 C ATOM 992 CE1 HIS A 67 -5.768 9.665 11.357 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.964 8.321 11.488 1.00 0.00 N ATOM 0 H HIS A 67 -10.555 8.116 7.961 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.518 10.254 7.774 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.360 10.323 9.888 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.683 8.602 9.956 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.535 7.007 10.847 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.922 10.222 11.731 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.333 7.671 11.957 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.116 7.214 7.032 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.175 6.210 6.564 1.00 0.00 C ATOM 1003 C VAL A 68 -7.090 6.271 5.037 1.00 0.00 C ATOM 1004 O VAL A 68 -6.586 5.345 4.403 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.579 4.830 7.086 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.385 4.739 8.601 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.021 4.497 6.696 1.00 0.00 C ATOM 0 H VAL A 68 -9.094 7.014 6.821 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.177 6.410 6.954 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.927 4.091 6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.679 3.748 8.947 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.337 4.912 8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.000 5.492 9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.283 3.511 7.079 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.694 5.242 7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.114 4.501 5.610 1.00 0.00 H new ATOM 1017 N MET A 69 -7.590 7.370 4.492 1.00 0.00 N ATOM 1018 CA MET A 69 -7.577 7.563 3.052 1.00 0.00 C ATOM 1019 C MET A 69 -7.510 9.050 2.698 1.00 0.00 C ATOM 1020 O MET A 69 -7.966 9.467 1.636 1.00 0.00 O ATOM 1021 CB MET A 69 -8.840 6.950 2.443 1.00 0.00 C ATOM 1022 CG MET A 69 -9.836 6.551 3.533 1.00 0.00 C ATOM 1023 SD MET A 69 -11.040 5.410 2.873 1.00 0.00 S ATOM 1024 CE MET A 69 -10.334 3.864 3.420 1.00 0.00 C ATOM 0 H MET A 69 -8.007 8.136 5.021 1.00 0.00 H new ATOM 0 HA MET A 69 -6.692 7.072 2.647 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.305 7.665 1.765 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.574 6.075 1.850 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.308 6.092 4.369 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.338 7.438 3.921 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.836 3.037 2.918 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.271 3.843 3.178 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.463 3.766 4.498 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.932 9.822 3.619 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.777 11.264 3.459 1.00 0.00 C ATOM 1036 C HIS A 70 -5.571 11.752 4.283 1.00 0.00 C ATOM 1037 O HIS A 70 -4.511 12.028 3.723 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.104 11.949 3.815 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.286 11.644 2.924 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.095 10.601 3.132 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.770 12.286 1.809 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -11.045 10.593 2.184 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.891 11.612 1.341 1.00 0.00 N ATOM 0 H HIS A 70 -6.558 9.462 4.497 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.556 11.530 2.425 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.367 11.672 4.836 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.943 13.027 3.809 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.005 9.922 3.888 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.345 13.175 1.366 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.832 9.856 2.114 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.775 11.841 5.589 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.721 12.288 6.483 1.00 0.00 C ATOM 1053 C ASP A 71 -3.415 11.578 6.119 1.00 0.00 C ATOM 1054 O ASP A 71 -3.435 10.470 5.584 1.00 0.00 O ATOM 1055 CB ASP A 71 -5.053 11.952 7.938 1.00 0.00 C ATOM 1056 CG ASP A 71 -4.784 13.077 8.939 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -3.593 13.274 9.264 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -5.775 13.714 9.357 1.00 0.00 O ATOM 0 H ASP A 71 -6.655 11.611 6.050 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.624 13.368 6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.105 11.675 8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.475 11.077 8.234 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.312 12.244 6.425 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.999 11.690 6.138 1.00 0.00 C ATOM 1065 C LYS A 72 -0.234 11.497 7.448 1.00 0.00 C ATOM 1066 O LYS A 72 0.864 10.943 7.454 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.262 12.560 5.118 1.00 0.00 C ATOM 1068 CG LYS A 72 0.371 13.778 5.792 1.00 0.00 C ATOM 1069 CD LYS A 72 0.704 14.862 4.765 1.00 0.00 C ATOM 1070 CE LYS A 72 0.256 16.240 5.257 1.00 0.00 C ATOM 1071 NZ LYS A 72 1.249 17.272 4.883 1.00 0.00 N ATOM 0 H LYS A 72 -2.300 13.162 6.869 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.093 10.707 5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.511 11.971 4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.957 12.888 4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.312 14.179 6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.278 13.477 6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.777 14.871 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.215 14.633 3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.715 16.488 4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.131 16.223 6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.930 18.201 5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.167 17.042 5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.349 17.299 3.848 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.844 11.964 8.527 1.00 0.00 N ATOM 1086 CA ASN A 73 -0.234 11.849 9.841 1.00 0.00 C ATOM 1087 C ASN A 73 -0.671 10.534 10.489 1.00 0.00 C ATOM 1088 O ASN A 73 -0.998 10.501 11.674 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.673 12.996 10.754 1.00 0.00 C ATOM 1090 CG ASN A 73 -0.277 14.350 10.163 1.00 0.00 C ATOM 1091 OD1 ASN A 73 -1.083 15.256 10.025 1.00 0.00 O ATOM 1092 ND2 ASN A 73 1.005 14.438 9.823 1.00 0.00 N ATOM 0 H ASN A 73 -1.755 12.423 8.518 1.00 0.00 H new ATOM 0 HA ASN A 73 0.848 11.883 9.714 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.753 12.959 10.896 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.218 12.877 11.737 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.368 15.302 9.420 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.626 13.642 9.965 1.00 0.00 H new ATOM 1099 N THR A 74 -0.664 9.483 9.683 1.00 0.00 N ATOM 1100 CA THR A 74 -1.055 8.169 10.163 1.00 0.00 C ATOM 1101 C THR A 74 0.119 7.193 10.063 1.00 0.00 C ATOM 1102 O THR A 74 1.106 7.472 9.385 1.00 0.00 O ATOM 1103 CB THR A 74 -2.286 7.723 9.370 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.925 7.952 8.011 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.491 8.639 9.596 1.00 0.00 C ATOM 0 H THR A 74 -0.394 9.515 8.700 1.00 0.00 H new ATOM 0 HA THR A 74 -1.323 8.197 11.219 1.00 0.00 H new ATOM 0 HB THR A 74 -2.548 6.703 9.650 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.524 7.139 7.638 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.337 8.278 9.011 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.755 8.639 10.654 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.241 9.653 9.285 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.029 6.068 10.747 1.00 0.00 N ATOM 1114 CA LYS A 75 1.007 5.049 10.743 1.00 0.00 C ATOM 1115 C LYS A 75 1.219 4.548 9.313 1.00 0.00 C ATOM 1116 O LYS A 75 2.352 4.315 8.895 1.00 0.00 O ATOM 1117 CB LYS A 75 0.669 3.938 11.740 1.00 0.00 C ATOM 1118 CG LYS A 75 1.864 3.005 11.947 1.00 0.00 C ATOM 1119 CD LYS A 75 1.410 1.638 12.462 1.00 0.00 C ATOM 1120 CE LYS A 75 2.490 0.579 12.232 1.00 0.00 C ATOM 1121 NZ LYS A 75 2.673 0.330 10.785 1.00 0.00 N ATOM 0 H LYS A 75 -0.850 5.840 11.307 1.00 0.00 H new ATOM 0 HA LYS A 75 1.956 5.469 11.078 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.376 4.377 12.694 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.185 3.366 11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.402 2.883 11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.560 3.452 12.657 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.181 1.704 13.526 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.491 1.342 11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.431 0.909 12.672 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.212 -0.348 12.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.150 -0.584 10.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.745 0.311 10.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.253 1.088 10.373 1.00 0.00 H new ATOM 1135 N PHE A 76 0.111 4.397 8.603 1.00 0.00 N ATOM 1136 CA PHE A 76 0.161 3.928 7.229 1.00 0.00 C ATOM 1137 C PHE A 76 -0.276 5.027 6.258 1.00 0.00 C ATOM 1138 O PHE A 76 -1.012 5.937 6.636 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.813 2.753 7.121 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.500 1.596 8.073 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.621 0.849 7.891 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.344 1.316 9.102 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.911 -0.224 8.774 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.054 0.243 9.986 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.068 -0.504 9.804 1.00 0.00 C ATOM 0 H PHE A 76 -0.827 4.591 8.954 1.00 0.00 H new ATOM 0 HA PHE A 76 1.180 3.637 6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.823 3.112 7.321 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.804 2.380 6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.291 1.072 7.074 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.235 1.910 9.247 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.801 -0.818 8.628 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.724 0.020 10.803 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.289 -1.319 10.477 1.00 0.00 H new ATOM 1155 N LYS A 77 0.196 4.906 5.026 1.00 0.00 N ATOM 1156 CA LYS A 77 -0.136 5.878 3.999 1.00 0.00 C ATOM 1157 C LYS A 77 -1.641 5.830 3.724 1.00 0.00 C ATOM 1158 O LYS A 77 -2.298 4.833 4.022 1.00 0.00 O ATOM 1159 CB LYS A 77 0.723 5.656 2.753 1.00 0.00 C ATOM 1160 CG LYS A 77 2.174 5.354 3.134 1.00 0.00 C ATOM 1161 CD LYS A 77 3.138 6.296 2.410 1.00 0.00 C ATOM 1162 CE LYS A 77 4.284 6.720 3.331 1.00 0.00 C ATOM 1163 NZ LYS A 77 4.247 8.182 3.564 1.00 0.00 N ATOM 0 H LYS A 77 0.806 4.149 4.716 1.00 0.00 H new ATOM 0 HA LYS A 77 0.094 6.887 4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.317 4.830 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.687 6.542 2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.300 5.457 4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.412 4.320 2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.541 5.801 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.599 7.178 2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.209 6.192 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.239 6.441 2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.031 8.454 4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.341 8.681 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.343 8.440 4.009 1.00 0.00 H new ATOM 1177 N SER A 78 -2.143 6.918 3.160 1.00 0.00 N ATOM 1178 CA SER A 78 -3.557 7.012 2.842 1.00 0.00 C ATOM 1179 C SER A 78 -3.751 7.062 1.325 1.00 0.00 C ATOM 1180 O SER A 78 -3.284 6.179 0.607 1.00 0.00 O ATOM 1181 CB SER A 78 -4.189 8.241 3.498 1.00 0.00 C ATOM 1182 OG SER A 78 -4.003 8.248 4.911 1.00 0.00 O ATOM 0 H SER A 78 -1.595 7.743 2.915 1.00 0.00 H new ATOM 0 HA SER A 78 -4.055 6.126 3.237 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.753 9.144 3.071 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.255 8.264 3.273 1.00 0.00 H new ATOM 0 HG SER A 78 -3.433 9.004 5.162 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.439 8.104 0.882 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.700 8.280 -0.536 1.00 0.00 C ATOM 1190 C CYS A 79 -4.243 9.684 -0.937 1.00 0.00 C ATOM 1191 O CYS A 79 -3.574 9.856 -1.955 1.00 0.00 O ATOM 1192 CB CYS A 79 -6.173 8.040 -0.875 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.750 6.323 -0.616 1.00 0.00 S ATOM 0 H CYS A 79 -4.824 8.835 1.480 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.139 7.539 -1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.784 8.709 -0.269 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.340 8.311 -1.917 1.00 0.00 H new ATOM 0 HG CYS A 79 -8.008 6.236 -0.932 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.623 10.652 -0.117 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.261 12.036 -0.373 1.00 0.00 C ATOM 1200 C VAL A 80 -2.803 12.261 0.034 1.00 0.00 C ATOM 1201 O VAL A 80 -2.105 13.074 -0.569 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.234 12.973 0.344 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.782 14.430 0.222 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.658 12.795 -0.185 1.00 0.00 C ATOM 0 H VAL A 80 -5.178 10.506 0.726 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.340 12.261 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.235 12.709 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.491 15.076 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.794 14.543 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.738 14.710 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.329 13.473 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.680 13.018 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.980 11.767 -0.023 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.388 11.526 1.055 1.00 0.00 N ATOM 1215 CA GLY A 81 -1.026 11.635 1.550 1.00 0.00 C ATOM 1216 C GLY A 81 -0.014 11.457 0.416 1.00 0.00 C ATOM 1217 O GLY A 81 0.640 12.415 0.007 1.00 0.00 O ATOM 0 H GLY A 81 -2.970 10.853 1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.883 12.608 2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.853 10.881 2.318 1.00 0.00 H new ATOM 1221 N CYS A 82 0.082 10.224 -0.060 1.00 0.00 N ATOM 1222 CA CYS A 82 1.002 9.908 -1.139 1.00 0.00 C ATOM 1223 C CYS A 82 0.901 11.011 -2.195 1.00 0.00 C ATOM 1224 O CYS A 82 1.911 11.559 -2.632 1.00 0.00 O ATOM 1225 CB CYS A 82 0.727 8.524 -1.730 1.00 0.00 C ATOM 1226 SG CYS A 82 2.226 7.892 -2.568 1.00 0.00 S ATOM 0 H CYS A 82 -0.462 9.432 0.282 1.00 0.00 H new ATOM 0 HA CYS A 82 2.020 9.869 -0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.424 7.836 -0.941 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.100 8.580 -2.438 1.00 0.00 H new ATOM 0 HG CYS A 82 1.982 6.716 -3.064 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.339 11.309 -2.582 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.634 12.332 -3.579 1.00 0.00 C ATOM 1233 C HIS A 83 -0.011 13.672 -3.148 1.00 0.00 C ATOM 1234 O HIS A 83 0.462 14.433 -3.990 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.152 12.384 -3.804 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.752 11.281 -4.646 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.824 11.470 -5.421 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.390 9.965 -4.808 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.119 10.317 -6.042 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.264 9.355 -5.699 1.00 0.00 N ATOM 0 H HIS A 83 -1.168 10.845 -2.211 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.184 12.093 -4.542 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.641 12.373 -2.830 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.394 13.339 -4.271 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.335 12.347 -5.524 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.557 9.481 -4.319 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.942 10.187 -6.729 1.00 0.00 H new ATOM 1248 N VAL A 84 -0.034 13.915 -1.845 1.00 0.00 N ATOM 1249 CA VAL A 84 0.522 15.144 -1.303 1.00 0.00 C ATOM 1250 C VAL A 84 2.046 15.110 -1.433 1.00 0.00 C ATOM 1251 O VAL A 84 2.677 16.145 -1.646 1.00 0.00 O ATOM 1252 CB VAL A 84 0.049 15.340 0.138 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.694 16.579 0.763 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.477 15.423 0.208 1.00 0.00 C ATOM 0 H VAL A 84 -0.429 13.282 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 84 0.167 16.006 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 84 0.364 14.471 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.341 16.695 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.778 16.464 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.423 17.462 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.787 15.562 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.823 16.265 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.910 14.500 -0.179 1.00 0.00 H new ATOM 1264 N GLU A 85 2.593 13.911 -1.300 1.00 0.00 N ATOM 1265 CA GLU A 85 4.031 13.729 -1.400 1.00 0.00 C ATOM 1266 C GLU A 85 4.453 13.631 -2.867 1.00 0.00 C ATOM 1267 O GLU A 85 5.644 13.622 -3.175 1.00 0.00 O ATOM 1268 CB GLU A 85 4.484 12.496 -0.615 1.00 0.00 C ATOM 1269 CG GLU A 85 5.226 12.900 0.660 1.00 0.00 C ATOM 1270 CD GLU A 85 6.415 13.808 0.339 1.00 0.00 C ATOM 1271 OE1 GLU A 85 7.222 13.401 -0.524 1.00 0.00 O ATOM 1272 OE2 GLU A 85 6.490 14.888 0.964 1.00 0.00 O ATOM 0 H GLU A 85 2.066 13.056 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 85 4.519 14.598 -0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.618 11.886 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.133 11.882 -1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.542 13.415 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.575 12.008 1.180 1.00 0.00 H new ATOM 1279 N VAL A 86 3.453 13.560 -3.734 1.00 0.00 N ATOM 1280 CA VAL A 86 3.706 13.463 -5.161 1.00 0.00 C ATOM 1281 C VAL A 86 3.337 14.788 -5.832 1.00 0.00 C ATOM 1282 O VAL A 86 4.177 15.418 -6.473 1.00 0.00 O ATOM 1283 CB VAL A 86 2.952 12.267 -5.746 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.125 12.199 -7.265 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.397 10.961 -5.084 1.00 0.00 C ATOM 0 H VAL A 86 2.466 13.568 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 86 4.765 13.287 -5.350 1.00 0.00 H new ATOM 0 HB VAL A 86 1.891 12.404 -5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.579 11.340 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.736 13.112 -7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.183 12.097 -7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.846 10.127 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.465 10.815 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.198 11.010 -4.013 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.646 20.062 -10.626 1.00 0.00 N ATOM 1355 CA LYS A 93 -2.167 18.753 -10.270 1.00 0.00 C ATOM 1356 C LYS A 93 -2.619 18.769 -8.809 1.00 0.00 C ATOM 1357 O LYS A 93 -3.470 17.975 -8.410 1.00 0.00 O ATOM 1358 CB LYS A 93 -1.139 17.664 -10.584 1.00 0.00 C ATOM 1359 CG LYS A 93 -1.793 16.483 -11.304 1.00 0.00 C ATOM 1360 CD LYS A 93 -2.272 16.889 -12.699 1.00 0.00 C ATOM 1361 CE LYS A 93 -2.725 15.667 -13.500 1.00 0.00 C ATOM 1362 NZ LYS A 93 -2.478 14.425 -12.735 1.00 0.00 N ATOM 0 HA LYS A 93 -3.044 18.515 -10.873 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.344 18.078 -11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.675 17.319 -9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.081 15.662 -11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.636 16.117 -10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.096 17.598 -12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.468 17.398 -13.230 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.786 15.752 -13.735 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.191 15.629 -14.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.807 13.607 -13.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.460 14.330 -12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.994 14.465 -11.833 1.00 0.00 H new ATOM 1376 N LYS A 94 -2.031 19.682 -8.050 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.363 19.812 -6.642 1.00 0.00 C ATOM 1378 C LYS A 94 -3.871 20.030 -6.496 1.00 0.00 C ATOM 1379 O LYS A 94 -4.426 19.846 -5.414 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.517 20.908 -5.990 1.00 0.00 C ATOM 1381 CG LYS A 94 -2.263 22.244 -5.983 1.00 0.00 C ATOM 1382 CD LYS A 94 -3.153 22.368 -4.744 1.00 0.00 C ATOM 1383 CE LYS A 94 -3.258 23.824 -4.287 1.00 0.00 C ATOM 1384 NZ LYS A 94 -1.912 24.388 -4.041 1.00 0.00 N ATOM 0 H LYS A 94 -1.326 20.339 -8.384 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.120 18.894 -6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.268 20.621 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.576 21.015 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.546 23.065 -6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.872 22.329 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.147 21.980 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.746 21.758 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.773 24.413 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.856 23.884 -3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.973 25.126 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.273 23.633 -3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.543 24.802 -4.921 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.490 20.419 -7.601 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.922 20.665 -7.609 1.00 0.00 C ATOM 1400 C LYS A 95 -6.628 19.515 -8.331 1.00 0.00 C ATOM 1401 O LYS A 95 -7.769 19.659 -8.767 1.00 0.00 O ATOM 1402 CB LYS A 95 -6.226 22.042 -8.202 1.00 0.00 C ATOM 1403 CG LYS A 95 -7.677 22.447 -7.932 1.00 0.00 C ATOM 1404 CD LYS A 95 -7.760 23.459 -6.788 1.00 0.00 C ATOM 1405 CE LYS A 95 -9.213 23.711 -6.383 1.00 0.00 C ATOM 1406 NZ LYS A 95 -9.616 25.093 -6.728 1.00 0.00 N ATOM 0 H LYS A 95 -4.026 20.570 -8.497 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.310 20.690 -6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.552 22.783 -7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.042 22.028 -9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.112 22.876 -8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.265 21.563 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.198 23.090 -5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.296 24.397 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.866 22.999 -6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.331 23.548 -5.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -10.605 25.247 -6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.004 25.768 -6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.522 25.236 -7.754 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.919 18.400 -8.436 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.464 17.227 -9.097 1.00 0.00 C ATOM 1422 C ASP A 96 -6.159 15.985 -8.257 1.00 0.00 C ATOM 1423 O ASP A 96 -7.024 15.132 -8.068 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.832 17.030 -10.477 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.622 18.315 -11.281 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -5.128 19.289 -10.675 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -5.961 18.293 -12.484 1.00 0.00 O ATOM 0 H ASP A 96 -4.972 18.285 -8.074 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.539 17.372 -9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.868 16.536 -10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.463 16.356 -11.056 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.926 15.924 -7.775 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.497 14.801 -6.959 1.00 0.00 C ATOM 1434 C LEU A 97 -5.035 14.974 -5.537 1.00 0.00 C ATOM 1435 O LEU A 97 -5.532 14.022 -4.937 1.00 0.00 O ATOM 1436 CB LEU A 97 -2.977 14.640 -7.026 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.359 14.685 -8.425 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -0.890 14.259 -8.389 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.174 13.847 -9.411 1.00 0.00 C ATOM 0 H LEU A 97 -4.211 16.634 -7.934 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.911 13.869 -7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.521 15.426 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.711 13.689 -6.563 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.387 15.716 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.475 14.300 -9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.332 14.932 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.816 13.241 -8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.713 13.896 -10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.200 12.811 -9.074 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.191 14.236 -9.466 1.00 0.00 H new ATOM 1451 N THR A 98 -4.918 16.196 -5.039 1.00 0.00 N ATOM 1452 CA THR A 98 -5.386 16.507 -3.699 1.00 0.00 C ATOM 1453 C THR A 98 -6.642 17.378 -3.761 1.00 0.00 C ATOM 1454 O THR A 98 -7.164 17.797 -2.729 1.00 0.00 O ATOM 1455 CB THR A 98 -4.233 17.157 -2.934 1.00 0.00 C ATOM 1456 OG1 THR A 98 -4.009 18.385 -3.622 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.917 16.394 -3.096 1.00 0.00 C ATOM 0 H THR A 98 -4.506 16.983 -5.540 1.00 0.00 H new ATOM 0 HA THR A 98 -5.681 15.604 -3.164 1.00 0.00 H new ATOM 0 HB THR A 98 -4.489 17.218 -1.876 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.486 18.372 -4.478 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.132 16.899 -2.533 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.037 15.378 -2.721 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.643 16.361 -4.150 1.00 0.00 H new ATOM 1465 N GLY A 99 -7.092 17.625 -4.983 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.277 18.440 -5.194 1.00 0.00 C ATOM 1467 C GLY A 99 -9.476 17.870 -4.432 1.00 0.00 C ATOM 1468 O GLY A 99 -9.498 16.687 -4.097 1.00 0.00 O ATOM 0 H GLY A 99 -6.657 17.275 -5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.084 19.461 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.506 18.486 -6.259 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.444 18.740 -4.181 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.643 18.338 -3.465 1.00 0.00 C ATOM 1474 C CYS A 100 -12.782 18.199 -4.477 1.00 0.00 C ATOM 1475 O CYS A 100 -13.585 17.271 -4.389 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.990 19.323 -2.346 1.00 0.00 C ATOM 1477 SG CYS A 100 -11.026 19.105 -0.806 1.00 0.00 S ATOM 0 H CYS A 100 -10.422 19.721 -4.460 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.474 17.379 -2.976 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.836 20.338 -2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -13.050 19.226 -2.111 1.00 0.00 H new ATOM 0 HG CYS A 100 -11.400 19.991 0.069 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.817 19.136 -5.413 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.845 19.129 -6.440 1.00 0.00 C ATOM 1484 C LYS A 101 -13.183 19.057 -7.818 1.00 0.00 C ATOM 1485 O LYS A 101 -12.271 19.828 -8.113 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.780 20.328 -6.270 1.00 0.00 C ATOM 1487 CG LYS A 101 -15.623 20.549 -7.527 1.00 0.00 C ATOM 1488 CD LYS A 101 -16.322 19.257 -7.953 1.00 0.00 C ATOM 1489 CE LYS A 101 -17.804 19.505 -8.241 1.00 0.00 C ATOM 1490 NZ LYS A 101 -17.985 20.783 -8.965 1.00 0.00 N ATOM 0 H LYS A 101 -12.150 19.905 -5.482 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.475 18.245 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.434 20.165 -5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.195 21.223 -6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.366 21.324 -7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.987 20.907 -8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.838 18.853 -8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -16.221 18.508 -7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -18.208 18.684 -8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -18.363 19.528 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.813 20.714 -9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -18.131 21.552 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -17.138 20.983 -9.534 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.668 18.124 -8.624 1.00 0.00 N ATOM 1505 CA LYS A 102 -13.135 17.941 -9.963 1.00 0.00 C ATOM 1506 C LYS A 102 -11.945 16.981 -9.907 1.00 0.00 C ATOM 1507 O LYS A 102 -11.435 16.558 -10.943 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.804 19.294 -10.597 1.00 0.00 C ATOM 1509 CG LYS A 102 -13.153 19.301 -12.087 1.00 0.00 C ATOM 1510 CD LYS A 102 -12.181 20.183 -12.873 1.00 0.00 C ATOM 1511 CE LYS A 102 -12.627 21.646 -12.851 1.00 0.00 C ATOM 1512 NZ LYS A 102 -11.918 22.421 -13.894 1.00 0.00 N ATOM 0 H LYS A 102 -14.424 17.487 -8.375 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.883 17.485 -10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.356 20.084 -10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.744 19.511 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.122 18.283 -12.476 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.172 19.664 -12.224 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.181 20.098 -12.447 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.119 19.833 -13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.703 21.707 -13.013 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.428 22.078 -11.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.233 23.412 -13.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.893 22.378 -13.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.129 22.018 -14.829 1.00 0.00 H new ATOM 1526 N SER A 103 -11.538 16.665 -8.686 1.00 0.00 N ATOM 1527 CA SER A 103 -10.418 15.762 -8.482 1.00 0.00 C ATOM 1528 C SER A 103 -10.752 14.378 -9.042 1.00 0.00 C ATOM 1529 O SER A 103 -11.920 13.999 -9.115 1.00 0.00 O ATOM 1530 CB SER A 103 -10.056 15.661 -6.999 1.00 0.00 C ATOM 1531 OG SER A 103 -9.100 14.634 -6.751 1.00 0.00 O ATOM 0 H SER A 103 -11.963 17.018 -7.829 1.00 0.00 H new ATOM 0 HA SER A 103 -9.555 16.163 -9.013 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.658 16.617 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.957 15.465 -6.418 1.00 0.00 H new ATOM 0 HG SER A 103 -8.200 14.973 -6.939 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.706 13.660 -9.423 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.873 12.327 -9.975 1.00 0.00 C ATOM 1539 C LYS A 104 -10.658 11.465 -8.983 1.00 0.00 C ATOM 1540 O LYS A 104 -11.519 10.682 -9.382 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.518 11.734 -10.366 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.241 11.938 -11.857 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.754 13.362 -12.135 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.381 13.350 -12.809 1.00 0.00 C ATOM 1545 NZ LYS A 104 -5.365 12.769 -11.904 1.00 0.00 N ATOM 0 H LYS A 104 -8.739 13.977 -9.360 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.455 12.366 -10.896 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.729 12.202 -9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.501 10.670 -10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.491 11.222 -12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.148 11.742 -12.429 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.472 13.878 -12.773 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.699 13.920 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.427 12.772 -13.732 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.095 14.365 -13.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.727 13.520 -11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.837 12.329 -11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.816 12.049 -12.415 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.332 11.637 -7.711 1.00 0.00 N ATOM 1560 CA CYS A 105 -10.995 10.885 -6.659 1.00 0.00 C ATOM 1561 C CYS A 105 -12.431 11.398 -6.534 1.00 0.00 C ATOM 1562 O CYS A 105 -13.381 10.618 -6.529 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.237 10.978 -5.333 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.504 10.439 -5.563 1.00 0.00 S ATOM 0 H CYS A 105 -9.617 12.287 -7.384 1.00 0.00 H new ATOM 0 HA CYS A 105 -11.010 9.827 -6.919 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.261 12.003 -4.962 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.723 10.355 -4.582 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.869 10.524 -4.432 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.549 12.723 -6.434 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.837 13.395 -6.306 1.00 0.00 C ATOM 1571 C HIS A 106 -14.117 14.227 -7.571 1.00 0.00 C ATOM 1572 O HIS A 106 -14.120 15.456 -7.515 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.848 14.205 -5.002 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.695 13.425 -3.716 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.623 12.569 -3.280 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.686 13.403 -2.784 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.209 12.033 -2.121 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -13.018 12.514 -1.769 1.00 0.00 N ATOM 0 H HIS A 106 -11.751 13.359 -6.440 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.656 12.679 -6.235 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.045 14.940 -5.051 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.785 14.760 -4.954 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.778 13.985 -2.833 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.768 11.307 -1.549 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.472 12.282 -0.940 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.345 13.526 -8.672 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.624 14.187 -9.936 1.00 0.00 C ATOM 1588 C GLU A 107 -16.120 14.124 -10.249 1.00 0.00 C ATOM 1589 O GLU A 107 -16.552 14.541 -11.322 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.800 13.573 -11.069 1.00 0.00 C ATOM 1591 CG GLU A 107 -13.058 14.654 -11.856 1.00 0.00 C ATOM 1592 CD GLU A 107 -13.351 14.542 -13.354 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -13.334 13.396 -13.851 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -13.587 15.606 -13.967 1.00 0.00 O ATOM 0 H GLU A 107 -14.342 12.507 -8.715 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.335 15.234 -9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -13.084 12.861 -10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.455 13.016 -11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.355 15.639 -11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.986 14.562 -11.684 1.00 0.00 H new