USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 NoAdj-H: A 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 75 ASN : amide:sc= -4.41! C(o=-9.3!,f=-17!) USER MOD Set 1.2: A 77 THR OG1 : rot 78:sc= -4.88! USER MOD Set 2.1: A 61 SER OG : rot -144:sc= 0.791 USER MOD Set 2.2: A 73 THR OG1 : rot 130:sc= 0.506 USER MOD Set 3.1: A 39 ASN : amide:sc= -0.144 K(o=-2.1,f=-6.8!) USER MOD Set 3.2: A 56 SER OG : rot -148:sc= -1.98! USER MOD Set 4.1: A 31 GLN : amide:sc= -6.92! C(o=-9.8!,f=-7.6!) USER MOD Set 4.2: A 32 SER OG : rot -171:sc= -2.88! USER MOD Single : A 1 MET CE :methyl -140:sc= 0 (180deg=-0.0621) USER MOD Single : A 1 MET N :NH3+ -145:sc= -0.586! (180deg=-1.48) USER MOD Single : A 4 SER OG : rot 75:sc= 0.876 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -133:sc= 0.686 (180deg=-0.573!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.827 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 36 THR OG1 : rot -100:sc= -0.73! USER MOD Single : A 45 GLN : amide:sc= -3.2! C(o=-3.2!,f=-5.8!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -95:sc= 0.545 USER MOD Single : A 66 GLN : amide:sc= -0.187 K(o=-0.19,f=-0.77) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= 0.0269 (180deg=-0.196) USER MOD Single : A 69 LYS NZ :NH3+ -131:sc= 1.15 (180deg=-0.0228) USER MOD Single : A 71 ASN : amide:sc= -9.35! C(o=-9.4!,f=-3.6!) USER MOD Single : A 78 THR OG1 : rot -110:sc= -2.45! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -2.99! C(o=-3!,f=-0.26!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.014 0.951 -3.032 1.00 0.00 N ATOM 2 CA MET A 1 18.269 0.194 -3.299 1.00 0.00 C ATOM 3 C MET A 1 18.393 -0.956 -2.298 1.00 0.00 C ATOM 4 O MET A 1 19.376 -1.670 -2.278 1.00 0.00 O ATOM 5 CB MET A 1 19.474 1.129 -3.153 1.00 0.00 C ATOM 6 CG MET A 1 19.186 2.463 -3.851 1.00 0.00 C ATOM 7 SD MET A 1 18.399 3.600 -2.682 1.00 0.00 S ATOM 8 CE MET A 1 19.909 4.165 -1.859 1.00 0.00 C ATOM 0 H1 MET A 1 16.613 1.286 -3.931 1.00 0.00 H new ATOM 0 H2 MET A 1 16.328 0.330 -2.557 1.00 0.00 H new ATOM 0 H3 MET A 1 17.224 1.766 -2.421 1.00 0.00 H new ATOM 0 HA MET A 1 18.242 -0.206 -4.313 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.688 1.299 -2.098 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.360 0.665 -3.587 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.113 2.896 -4.228 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.537 2.302 -4.712 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.728 4.255 -0.788 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.709 3.445 -2.032 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.201 5.135 -2.260 1.00 0.00 H new ATOM 18 N GLY A 2 17.404 -1.140 -1.466 1.00 0.00 N ATOM 19 CA GLY A 2 17.468 -2.244 -0.466 1.00 0.00 C ATOM 20 C GLY A 2 18.332 -1.808 0.719 1.00 0.00 C ATOM 21 O GLY A 2 18.789 -0.685 0.786 1.00 0.00 O ATOM 0 H GLY A 2 16.556 -0.575 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 2 16.465 -2.498 -0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 2 17.886 -3.141 -0.924 1.00 0.00 H new ATOM 25 N ASP A 3 18.559 -2.689 1.655 1.00 0.00 N ATOM 26 CA ASP A 3 19.393 -2.324 2.835 1.00 0.00 C ATOM 27 C ASP A 3 18.811 -1.076 3.503 1.00 0.00 C ATOM 28 O ASP A 3 18.982 0.030 3.031 1.00 0.00 O ATOM 29 CB ASP A 3 20.826 -2.038 2.379 1.00 0.00 C ATOM 30 CG ASP A 3 21.763 -2.063 3.588 1.00 0.00 C ATOM 31 OD1 ASP A 3 22.964 -2.002 3.384 1.00 0.00 O ATOM 32 OD2 ASP A 3 21.263 -2.142 4.698 1.00 0.00 O ATOM 0 H ASP A 3 18.203 -3.645 1.654 1.00 0.00 H new ATOM 0 HA ASP A 3 19.397 -3.149 3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 3 21.141 -2.781 1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 3 20.875 -1.066 1.888 1.00 0.00 H new ATOM 37 N SER A 4 18.121 -1.245 4.598 1.00 0.00 N ATOM 38 CA SER A 4 17.525 -0.071 5.294 1.00 0.00 C ATOM 39 C SER A 4 16.542 -0.561 6.360 1.00 0.00 C ATOM 40 O SER A 4 16.384 -1.745 6.576 1.00 0.00 O ATOM 41 CB SER A 4 16.791 0.806 4.276 1.00 0.00 C ATOM 42 OG SER A 4 17.667 1.827 3.818 1.00 0.00 O ATOM 0 H SER A 4 17.945 -2.147 5.041 1.00 0.00 H new ATOM 0 HA SER A 4 18.312 0.514 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.449 0.200 3.437 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.905 1.248 4.732 1.00 0.00 H new ATOM 0 HG SER A 4 18.316 1.444 3.191 1.00 0.00 H new ATOM 48 N ARG A 5 15.879 0.346 7.025 1.00 0.00 N ATOM 49 CA ARG A 5 14.895 -0.051 8.076 1.00 0.00 C ATOM 50 C ARG A 5 13.484 0.248 7.567 1.00 0.00 C ATOM 51 O ARG A 5 12.586 -0.563 7.678 1.00 0.00 O ATOM 52 CB ARG A 5 15.165 0.747 9.363 1.00 0.00 C ATOM 53 CG ARG A 5 16.049 1.958 9.048 1.00 0.00 C ATOM 54 CD ARG A 5 15.978 2.959 10.202 1.00 0.00 C ATOM 55 NE ARG A 5 16.125 2.237 11.497 1.00 0.00 N ATOM 56 CZ ARG A 5 15.784 2.824 12.613 1.00 0.00 C ATOM 57 NH1 ARG A 5 15.914 2.193 13.748 1.00 0.00 N ATOM 58 NH2 ARG A 5 15.313 4.041 12.593 1.00 0.00 N ATOM 0 H ARG A 5 15.977 1.352 6.885 1.00 0.00 H new ATOM 0 HA ARG A 5 14.991 -1.115 8.293 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.223 1.077 9.801 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.654 0.110 10.100 1.00 0.00 H new ATOM 0 HG2 ARG A 5 17.080 1.638 8.893 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.720 2.431 8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.765 3.706 10.099 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.028 3.492 10.177 1.00 0.00 H new ATOM 0 HE ARG A 5 16.492 1.285 11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.282 1.242 13.763 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.648 2.651 14.620 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.211 4.534 11.706 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.047 4.499 13.465 1.00 0.00 H new ATOM 72 N ASP A 6 13.287 1.408 7.005 1.00 0.00 N ATOM 73 CA ASP A 6 11.942 1.771 6.480 1.00 0.00 C ATOM 74 C ASP A 6 11.626 0.904 5.260 1.00 0.00 C ATOM 75 O ASP A 6 10.480 0.640 4.951 1.00 0.00 O ATOM 76 CB ASP A 6 11.949 3.250 6.071 1.00 0.00 C ATOM 77 CG ASP A 6 10.599 3.888 6.407 1.00 0.00 C ATOM 78 OD1 ASP A 6 10.597 4.912 7.071 1.00 0.00 O ATOM 79 OD2 ASP A 6 9.591 3.342 5.995 1.00 0.00 O ATOM 0 H ASP A 6 14.004 2.124 6.886 1.00 0.00 H new ATOM 0 HA ASP A 6 11.186 1.606 7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.750 3.777 6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 6 12.148 3.340 5.003 1.00 0.00 H new ATOM 84 N LEU A 7 12.634 0.464 4.561 1.00 0.00 N ATOM 85 CA LEU A 7 12.395 -0.379 3.356 1.00 0.00 C ATOM 86 C LEU A 7 11.998 -1.797 3.791 1.00 0.00 C ATOM 87 O LEU A 7 12.299 -2.226 4.888 1.00 0.00 O ATOM 88 CB LEU A 7 13.671 -0.374 2.477 1.00 0.00 C ATOM 89 CG LEU A 7 14.531 -1.647 2.655 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.790 -1.936 4.143 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.850 -2.855 1.987 1.00 0.00 C ATOM 0 H LEU A 7 13.614 0.652 4.772 1.00 0.00 H new ATOM 0 HA LEU A 7 11.574 0.022 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.384 -0.279 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.272 0.501 2.723 1.00 0.00 H new ATOM 0 HG LEU A 7 15.492 -1.474 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.397 -2.836 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.317 -1.094 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.840 -2.083 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.469 -3.742 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.874 -3.021 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.724 -2.659 0.922 1.00 0.00 H new ATOM 103 N CYS A 8 11.312 -2.522 2.942 1.00 0.00 N ATOM 104 CA CYS A 8 10.885 -3.914 3.296 1.00 0.00 C ATOM 105 C CYS A 8 11.410 -4.881 2.225 1.00 0.00 C ATOM 106 O CYS A 8 11.720 -4.488 1.121 1.00 0.00 O ATOM 107 CB CYS A 8 9.342 -3.989 3.384 1.00 0.00 C ATOM 108 SG CYS A 8 8.702 -5.274 2.261 1.00 0.00 S ATOM 0 H CYS A 8 11.027 -2.209 2.014 1.00 0.00 H new ATOM 0 HA CYS A 8 11.295 -4.192 4.267 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.040 -4.209 4.408 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.909 -3.023 3.125 1.00 0.00 H new ATOM 113 N PRO A 9 11.516 -6.137 2.557 1.00 0.00 N ATOM 114 CA PRO A 9 12.021 -7.193 1.621 1.00 0.00 C ATOM 115 C PRO A 9 11.205 -7.241 0.327 1.00 0.00 C ATOM 116 O PRO A 9 11.725 -7.095 -0.761 1.00 0.00 O ATOM 117 CB PRO A 9 11.832 -8.497 2.415 1.00 0.00 C ATOM 118 CG PRO A 9 10.848 -8.152 3.480 1.00 0.00 C ATOM 119 CD PRO A 9 11.158 -6.712 3.855 1.00 0.00 C ATOM 0 HA PRO A 9 13.051 -7.012 1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.460 -9.299 1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.774 -8.841 2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.825 -8.254 3.119 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.950 -8.814 4.340 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.299 -6.211 4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.975 -6.643 4.573 1.00 0.00 H new ATOM 127 N HIS A 10 9.927 -7.447 0.453 1.00 0.00 N ATOM 128 CA HIS A 10 9.047 -7.511 -0.752 1.00 0.00 C ATOM 129 C HIS A 10 8.840 -6.099 -1.297 1.00 0.00 C ATOM 130 O HIS A 10 8.185 -5.895 -2.298 1.00 0.00 O ATOM 131 CB HIS A 10 7.690 -8.125 -0.367 1.00 0.00 C ATOM 132 CG HIS A 10 7.890 -9.142 0.720 1.00 0.00 C ATOM 133 ND1 HIS A 10 7.896 -8.805 2.074 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.092 -10.499 0.667 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.098 -9.950 2.761 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.221 -11.001 1.951 1.00 0.00 N ATOM 0 H HIS A 10 9.447 -7.575 1.344 1.00 0.00 H new ATOM 0 HA HIS A 10 9.515 -8.131 -1.517 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.009 -7.344 -0.028 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.231 -8.593 -1.238 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.143 -11.086 -0.238 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.153 -10.007 3.838 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.377 -11.972 2.221 1.00 0.00 H new ATOM 144 N LEU A 11 9.394 -5.123 -0.636 1.00 0.00 N ATOM 145 CA LEU A 11 9.235 -3.717 -1.097 1.00 0.00 C ATOM 146 C LEU A 11 9.958 -3.527 -2.432 1.00 0.00 C ATOM 147 O LEU A 11 9.585 -2.699 -3.239 1.00 0.00 O ATOM 148 CB LEU A 11 9.831 -2.781 -0.043 1.00 0.00 C ATOM 149 CG LEU A 11 9.390 -1.329 -0.302 1.00 0.00 C ATOM 150 CD1 LEU A 11 9.103 -0.625 1.028 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.501 -0.578 -1.045 1.00 0.00 C ATOM 0 H LEU A 11 9.953 -5.239 0.209 1.00 0.00 H new ATOM 0 HA LEU A 11 8.178 -3.489 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.511 -3.093 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.919 -2.846 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 11 8.484 -1.336 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.792 0.402 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.308 -1.153 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.005 -0.622 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.187 0.450 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.408 -0.578 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.700 -1.071 -1.997 1.00 0.00 H new ATOM 163 N ASP A 12 10.987 -4.290 -2.674 1.00 0.00 N ATOM 164 CA ASP A 12 11.730 -4.156 -3.958 1.00 0.00 C ATOM 165 C ASP A 12 11.031 -4.984 -5.038 1.00 0.00 C ATOM 166 O ASP A 12 11.208 -4.760 -6.219 1.00 0.00 O ATOM 167 CB ASP A 12 13.157 -4.671 -3.772 1.00 0.00 C ATOM 168 CG ASP A 12 13.927 -4.532 -5.087 1.00 0.00 C ATOM 169 OD1 ASP A 12 13.916 -5.476 -5.860 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.514 -3.484 -5.299 1.00 0.00 O ATOM 0 H ASP A 12 11.346 -5.001 -2.037 1.00 0.00 H new ATOM 0 HA ASP A 12 11.754 -3.109 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.658 -4.108 -2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.140 -5.714 -3.457 1.00 0.00 H new ATOM 175 N SER A 13 10.243 -5.944 -4.640 1.00 0.00 N ATOM 176 CA SER A 13 9.537 -6.796 -5.640 1.00 0.00 C ATOM 177 C SER A 13 8.300 -6.065 -6.173 1.00 0.00 C ATOM 178 O SER A 13 7.764 -6.412 -7.207 1.00 0.00 O ATOM 179 CB SER A 13 9.107 -8.103 -4.974 1.00 0.00 C ATOM 180 OG SER A 13 8.646 -9.008 -5.968 1.00 0.00 O ATOM 0 H SER A 13 10.057 -6.176 -3.664 1.00 0.00 H new ATOM 0 HA SER A 13 10.211 -7.008 -6.470 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.944 -8.539 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.318 -7.911 -4.247 1.00 0.00 H new ATOM 0 HG SER A 13 8.371 -9.848 -5.544 1.00 0.00 H new ATOM 186 N ILE A 14 7.837 -5.061 -5.477 1.00 0.00 N ATOM 187 CA ILE A 14 6.629 -4.319 -5.948 1.00 0.00 C ATOM 188 C ILE A 14 7.049 -3.149 -6.845 1.00 0.00 C ATOM 189 O ILE A 14 6.237 -2.564 -7.533 1.00 0.00 O ATOM 190 CB ILE A 14 5.877 -3.774 -4.740 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.848 -2.993 -3.851 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.279 -4.937 -3.942 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.067 -2.057 -2.925 1.00 0.00 C ATOM 0 H ILE A 14 8.242 -4.722 -4.604 1.00 0.00 H new ATOM 0 HA ILE A 14 5.990 -4.996 -6.515 1.00 0.00 H new ATOM 0 HB ILE A 14 5.076 -3.115 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.450 -3.684 -3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.537 -2.417 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.741 -4.547 -3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.591 -5.497 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.079 -5.596 -3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.764 -1.504 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.484 -1.357 -3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.396 -2.643 -2.297 1.00 0.00 H new ATOM 205 N GLY A 15 8.304 -2.794 -6.836 1.00 0.00 N ATOM 206 CA GLY A 15 8.759 -1.654 -7.686 1.00 0.00 C ATOM 207 C GLY A 15 7.868 -0.436 -7.430 1.00 0.00 C ATOM 208 O GLY A 15 6.966 -0.477 -6.617 1.00 0.00 O ATOM 0 H GLY A 15 9.033 -3.241 -6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.798 -1.411 -7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.718 -1.933 -8.739 1.00 0.00 H new ATOM 212 N GLU A 16 8.112 0.651 -8.117 1.00 0.00 N ATOM 213 CA GLU A 16 7.279 1.874 -7.912 1.00 0.00 C ATOM 214 C GLU A 16 6.190 1.940 -8.987 1.00 0.00 C ATOM 215 O GLU A 16 6.470 2.034 -10.166 1.00 0.00 O ATOM 216 CB GLU A 16 8.172 3.123 -7.995 1.00 0.00 C ATOM 217 CG GLU A 16 7.314 4.375 -8.259 1.00 0.00 C ATOM 218 CD GLU A 16 7.141 4.587 -9.768 1.00 0.00 C ATOM 219 OE1 GLU A 16 7.814 3.909 -10.527 1.00 0.00 O ATOM 220 OE2 GLU A 16 6.342 5.431 -10.138 1.00 0.00 O ATOM 0 H GLU A 16 8.853 0.744 -8.812 1.00 0.00 H new ATOM 0 HA GLU A 16 6.809 1.834 -6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.728 3.244 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.906 3.002 -8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.339 4.263 -7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.787 5.250 -7.813 1.00 0.00 H new ATOM 227 N VAL A 17 4.949 1.902 -8.586 1.00 0.00 N ATOM 228 CA VAL A 17 3.836 1.976 -9.577 1.00 0.00 C ATOM 229 C VAL A 17 3.598 3.442 -9.942 1.00 0.00 C ATOM 230 O VAL A 17 4.364 4.310 -9.575 1.00 0.00 O ATOM 231 CB VAL A 17 2.565 1.387 -8.963 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.694 -0.135 -8.882 1.00 0.00 C ATOM 233 CG2 VAL A 17 2.369 1.959 -7.556 1.00 0.00 C ATOM 0 H VAL A 17 4.656 1.823 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 17 4.096 1.410 -10.471 1.00 0.00 H new ATOM 0 HB VAL A 17 1.707 1.645 -9.584 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.788 -0.554 -8.444 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.835 -0.542 -9.883 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.551 -0.395 -8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.464 1.541 -7.116 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.227 1.700 -6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.277 3.044 -7.614 1.00 0.00 H new ATOM 243 N THR A 18 2.544 3.734 -10.654 1.00 0.00 N ATOM 244 CA THR A 18 2.279 5.154 -11.021 1.00 0.00 C ATOM 245 C THR A 18 1.999 5.944 -9.745 1.00 0.00 C ATOM 246 O THR A 18 1.206 5.546 -8.917 1.00 0.00 O ATOM 247 CB THR A 18 1.065 5.220 -11.963 1.00 0.00 C ATOM 248 OG1 THR A 18 0.480 3.930 -12.066 1.00 0.00 O ATOM 249 CG2 THR A 18 1.510 5.686 -13.352 1.00 0.00 C ATOM 0 H THR A 18 1.861 3.058 -10.995 1.00 0.00 H new ATOM 0 HA THR A 18 3.143 5.580 -11.531 1.00 0.00 H new ATOM 0 HB THR A 18 0.337 5.925 -11.563 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.295 3.969 -12.664 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.646 5.731 -14.015 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.961 6.675 -13.277 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.240 4.984 -13.755 1.00 0.00 H new ATOM 257 N LYS A 19 2.634 7.068 -9.583 1.00 0.00 N ATOM 258 CA LYS A 19 2.386 7.883 -8.362 1.00 0.00 C ATOM 259 C LYS A 19 0.905 8.225 -8.358 1.00 0.00 C ATOM 260 O LYS A 19 0.184 7.919 -7.429 1.00 0.00 O ATOM 261 CB LYS A 19 3.237 9.165 -8.400 1.00 0.00 C ATOM 262 CG LYS A 19 4.211 9.108 -9.585 1.00 0.00 C ATOM 263 CD LYS A 19 5.462 9.944 -9.279 1.00 0.00 C ATOM 264 CE LYS A 19 6.527 9.055 -8.626 1.00 0.00 C ATOM 265 NZ LYS A 19 7.583 9.912 -8.016 1.00 0.00 N ATOM 0 H LYS A 19 3.311 7.458 -10.239 1.00 0.00 H new ATOM 0 HA LYS A 19 2.659 7.336 -7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.591 10.038 -8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.791 9.273 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.494 8.074 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.724 9.484 -10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.853 10.382 -10.197 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.206 10.770 -8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.071 8.423 -7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.967 8.391 -9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.306 9.310 -7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.025 10.497 -8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.156 10.528 -7.295 1.00 0.00 H new ATOM 279 N GLU A 20 0.443 8.828 -9.416 1.00 0.00 N ATOM 280 CA GLU A 20 -0.994 9.155 -9.519 1.00 0.00 C ATOM 281 C GLU A 20 -1.786 7.932 -9.074 1.00 0.00 C ATOM 282 O GLU A 20 -2.833 8.040 -8.480 1.00 0.00 O ATOM 283 CB GLU A 20 -1.329 9.506 -10.965 1.00 0.00 C ATOM 284 CG GLU A 20 -2.845 9.456 -11.185 1.00 0.00 C ATOM 285 CD GLU A 20 -3.150 9.615 -12.675 1.00 0.00 C ATOM 286 OE1 GLU A 20 -3.511 8.627 -13.295 1.00 0.00 O ATOM 287 OE2 GLU A 20 -3.018 10.722 -13.172 1.00 0.00 O ATOM 0 H GLU A 20 1.008 9.108 -10.217 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.245 10.008 -8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.953 10.501 -11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.833 8.809 -11.640 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.245 8.510 -10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.332 10.248 -10.617 1.00 0.00 H new ATOM 294 N ASP A 21 -1.279 6.760 -9.340 1.00 0.00 N ATOM 295 CA ASP A 21 -2.008 5.538 -8.902 1.00 0.00 C ATOM 296 C ASP A 21 -2.269 5.665 -7.406 1.00 0.00 C ATOM 297 O ASP A 21 -3.329 5.340 -6.915 1.00 0.00 O ATOM 298 CB ASP A 21 -1.163 4.289 -9.188 1.00 0.00 C ATOM 299 CG ASP A 21 -2.076 3.067 -9.309 1.00 0.00 C ATOM 300 OD1 ASP A 21 -3.252 3.197 -9.012 1.00 0.00 O ATOM 301 OD2 ASP A 21 -1.584 2.020 -9.696 1.00 0.00 O ATOM 0 H ASP A 21 -0.403 6.597 -9.835 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.948 5.440 -9.444 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.596 4.424 -10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.439 4.137 -8.388 1.00 0.00 H new ATOM 306 N LEU A 22 -1.309 6.173 -6.685 1.00 0.00 N ATOM 307 CA LEU A 22 -1.494 6.359 -5.222 1.00 0.00 C ATOM 308 C LEU A 22 -2.427 7.540 -5.009 1.00 0.00 C ATOM 309 O LEU A 22 -3.060 7.682 -3.981 1.00 0.00 O ATOM 310 CB LEU A 22 -0.145 6.642 -4.556 1.00 0.00 C ATOM 311 CG LEU A 22 0.649 5.342 -4.435 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.757 4.679 -5.810 1.00 0.00 C ATOM 313 CD2 LEU A 22 2.053 5.651 -3.908 1.00 0.00 C ATOM 0 H LEU A 22 -0.403 6.468 -7.048 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.917 5.456 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.416 7.370 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.300 7.079 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 22 0.140 4.668 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.323 3.752 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.242 4.460 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.266 5.352 -6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.621 4.725 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.561 6.325 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.978 6.124 -2.929 1.00 0.00 H new ATOM 325 N LEU A 23 -2.514 8.384 -5.990 1.00 0.00 N ATOM 326 CA LEU A 23 -3.400 9.567 -5.891 1.00 0.00 C ATOM 327 C LEU A 23 -4.839 9.129 -6.167 1.00 0.00 C ATOM 328 O LEU A 23 -5.713 9.331 -5.348 1.00 0.00 O ATOM 329 CB LEU A 23 -2.922 10.601 -6.917 1.00 0.00 C ATOM 330 CG LEU A 23 -1.424 10.880 -6.694 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.991 12.083 -7.548 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.162 11.194 -5.215 1.00 0.00 C ATOM 0 H LEU A 23 -2.002 8.303 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.366 10.012 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.089 10.231 -7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.495 11.523 -6.816 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.854 9.997 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.069 12.279 -7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.165 11.863 -8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.570 12.961 -7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.100 11.390 -5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.737 12.072 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.462 10.343 -4.604 1.00 0.00 H new ATOM 344 N LEU A 24 -5.104 8.501 -7.283 1.00 0.00 N ATOM 345 CA LEU A 24 -6.496 8.046 -7.520 1.00 0.00 C ATOM 346 C LEU A 24 -6.848 7.064 -6.421 1.00 0.00 C ATOM 347 O LEU A 24 -7.903 7.140 -5.847 1.00 0.00 O ATOM 348 CB LEU A 24 -6.654 7.375 -8.891 1.00 0.00 C ATOM 349 CG LEU A 24 -5.826 6.082 -8.984 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.706 4.868 -8.662 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.292 5.930 -10.412 1.00 0.00 C ATOM 0 H LEU A 24 -4.432 8.290 -8.021 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.163 8.908 -7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.706 7.149 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.341 8.066 -9.674 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.003 6.136 -8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.110 3.958 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.105 4.965 -7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.530 4.817 -9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.704 5.015 -10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.128 5.881 -11.110 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.664 6.786 -10.659 1.00 0.00 H new ATOM 363 N LYS A 25 -5.963 6.156 -6.093 1.00 0.00 N ATOM 364 CA LYS A 25 -6.274 5.205 -4.994 1.00 0.00 C ATOM 365 C LYS A 25 -6.802 6.027 -3.819 1.00 0.00 C ATOM 366 O LYS A 25 -7.810 5.714 -3.219 1.00 0.00 O ATOM 367 CB LYS A 25 -5.001 4.451 -4.589 1.00 0.00 C ATOM 368 CG LYS A 25 -4.743 3.308 -5.582 1.00 0.00 C ATOM 369 CD LYS A 25 -3.302 2.807 -5.439 1.00 0.00 C ATOM 370 CE LYS A 25 -3.147 1.479 -6.184 1.00 0.00 C ATOM 371 NZ LYS A 25 -1.792 0.916 -5.921 1.00 0.00 N ATOM 0 H LYS A 25 -5.051 6.036 -6.535 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.016 4.471 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.151 5.133 -4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.107 4.053 -3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.441 2.491 -5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.917 3.654 -6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.608 3.545 -5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.054 2.676 -4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.914 0.776 -5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.288 1.632 -7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.364 0.609 -6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.193 1.644 -5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.873 0.102 -5.279 1.00 0.00 H new ATOM 385 N SER A 26 -6.129 7.104 -3.518 1.00 0.00 N ATOM 386 CA SER A 26 -6.567 8.002 -2.421 1.00 0.00 C ATOM 387 C SER A 26 -7.858 8.712 -2.852 1.00 0.00 C ATOM 388 O SER A 26 -8.279 9.674 -2.241 1.00 0.00 O ATOM 389 CB SER A 26 -5.475 9.051 -2.171 1.00 0.00 C ATOM 390 OG SER A 26 -5.560 9.510 -0.829 1.00 0.00 O ATOM 0 H SER A 26 -5.279 7.401 -3.997 1.00 0.00 H new ATOM 0 HA SER A 26 -6.743 7.428 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.491 8.620 -2.358 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.593 9.887 -2.861 1.00 0.00 H new ATOM 0 HG SER A 26 -4.862 10.179 -0.667 1.00 0.00 H new ATOM 396 N LYS A 27 -8.468 8.272 -3.927 1.00 0.00 N ATOM 397 CA LYS A 27 -9.701 8.960 -4.413 1.00 0.00 C ATOM 398 C LYS A 27 -10.666 9.197 -3.250 1.00 0.00 C ATOM 399 O LYS A 27 -11.139 10.300 -3.061 1.00 0.00 O ATOM 400 CB LYS A 27 -10.394 8.138 -5.516 1.00 0.00 C ATOM 401 CG LYS A 27 -10.279 6.629 -5.238 1.00 0.00 C ATOM 402 CD LYS A 27 -11.588 5.932 -5.614 1.00 0.00 C ATOM 403 CE LYS A 27 -11.794 6.040 -7.126 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.051 5.337 -7.509 1.00 0.00 N ATOM 0 H LYS A 27 -8.167 7.472 -4.484 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.409 9.921 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.445 8.420 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.945 8.368 -6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.454 6.206 -5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.056 6.460 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.557 4.885 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.424 6.391 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.846 7.088 -7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.945 5.602 -7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.191 5.411 -8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.984 4.335 -7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.857 5.774 -7.018 1.00 0.00 H new ATOM 418 N GLY A 28 -10.958 8.201 -2.452 1.00 0.00 N ATOM 419 CA GLY A 28 -11.880 8.440 -1.310 1.00 0.00 C ATOM 420 C GLY A 28 -12.797 7.246 -1.094 1.00 0.00 C ATOM 421 O GLY A 28 -13.722 7.314 -0.315 1.00 0.00 O ATOM 0 H GLY A 28 -10.603 7.249 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.303 8.629 -0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.477 9.332 -1.500 1.00 0.00 H new ATOM 425 N THR A 29 -12.580 6.157 -1.773 1.00 0.00 N ATOM 426 CA THR A 29 -13.483 4.998 -1.563 1.00 0.00 C ATOM 427 C THR A 29 -12.831 3.690 -2.036 1.00 0.00 C ATOM 428 O THR A 29 -12.068 3.664 -2.982 1.00 0.00 O ATOM 429 CB THR A 29 -14.772 5.243 -2.349 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.600 6.376 -3.189 1.00 0.00 O ATOM 431 CG2 THR A 29 -15.943 5.493 -1.391 1.00 0.00 C ATOM 0 H THR A 29 -11.831 6.021 -2.452 1.00 0.00 H new ATOM 0 HA THR A 29 -13.693 4.899 -0.498 1.00 0.00 H new ATOM 0 HB THR A 29 -14.992 4.362 -2.952 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.424 6.536 -3.696 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.853 5.666 -1.966 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.079 4.623 -0.748 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.730 6.368 -0.777 1.00 0.00 H new ATOM 439 N CYS A 30 -13.172 2.598 -1.402 1.00 0.00 N ATOM 440 CA CYS A 30 -12.632 1.268 -1.821 1.00 0.00 C ATOM 441 C CYS A 30 -13.146 0.987 -3.233 1.00 0.00 C ATOM 442 O CYS A 30 -14.279 1.290 -3.551 1.00 0.00 O ATOM 443 CB CYS A 30 -13.150 0.179 -0.867 1.00 0.00 C ATOM 444 SG CYS A 30 -12.527 -1.443 -1.392 1.00 0.00 S ATOM 0 H CYS A 30 -13.807 2.570 -0.604 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.542 1.271 -1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.826 0.391 0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.240 0.176 -0.861 1.00 0.00 H new ATOM 449 N GLN A 31 -12.342 0.427 -4.093 1.00 0.00 N ATOM 450 CA GLN A 31 -12.838 0.166 -5.473 1.00 0.00 C ATOM 451 C GLN A 31 -13.713 -1.088 -5.486 1.00 0.00 C ATOM 452 O GLN A 31 -14.393 -1.366 -6.454 1.00 0.00 O ATOM 453 CB GLN A 31 -11.666 -0.010 -6.441 1.00 0.00 C ATOM 454 CG GLN A 31 -10.738 -1.138 -5.973 1.00 0.00 C ATOM 455 CD GLN A 31 -11.329 -2.494 -6.363 1.00 0.00 C ATOM 456 OE1 GLN A 31 -12.309 -2.562 -7.079 1.00 0.00 O ATOM 457 NE2 GLN A 31 -10.767 -3.586 -5.923 1.00 0.00 N ATOM 0 H GLN A 31 -11.380 0.143 -3.906 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.431 1.022 -5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.043 -0.234 -7.439 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.105 0.922 -6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.752 -1.019 -6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.605 -1.087 -4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.945 -3.530 -5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.150 -4.496 -6.180 1.00 0.00 H new ATOM 466 N SER A 32 -13.708 -1.844 -4.421 1.00 0.00 N ATOM 467 CA SER A 32 -14.547 -3.077 -4.375 1.00 0.00 C ATOM 468 C SER A 32 -15.647 -2.914 -3.322 1.00 0.00 C ATOM 469 O SER A 32 -16.595 -3.673 -3.285 1.00 0.00 O ATOM 470 CB SER A 32 -13.671 -4.276 -4.015 1.00 0.00 C ATOM 471 OG SER A 32 -12.788 -4.552 -5.093 1.00 0.00 O ATOM 0 H SER A 32 -13.159 -1.661 -3.581 1.00 0.00 H new ATOM 0 HA SER A 32 -15.004 -3.239 -5.351 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.103 -4.067 -3.109 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.293 -5.146 -3.807 1.00 0.00 H new ATOM 0 HG SER A 32 -12.326 -5.400 -4.928 1.00 0.00 H new ATOM 477 N CYS A 33 -15.528 -1.934 -2.461 1.00 0.00 N ATOM 478 CA CYS A 33 -16.569 -1.732 -1.407 1.00 0.00 C ATOM 479 C CYS A 33 -17.084 -0.292 -1.439 1.00 0.00 C ATOM 480 O CYS A 33 -18.163 -0.007 -0.958 1.00 0.00 O ATOM 481 CB CYS A 33 -15.967 -2.015 -0.028 1.00 0.00 C ATOM 482 SG CYS A 33 -15.213 -3.652 -0.023 1.00 0.00 S ATOM 0 H CYS A 33 -14.757 -1.267 -2.442 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.396 -2.415 -1.599 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.221 -1.259 0.217 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.741 -1.958 0.737 1.00 0.00 H new ATOM 487 N GLY A 34 -16.329 0.628 -1.979 1.00 0.00 N ATOM 488 CA GLY A 34 -16.809 2.039 -2.000 1.00 0.00 C ATOM 489 C GLY A 34 -17.195 2.435 -0.574 1.00 0.00 C ATOM 490 O GLY A 34 -18.354 2.626 -0.260 1.00 0.00 O ATOM 0 H GLY A 34 -15.414 0.467 -2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.030 2.700 -2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.665 2.139 -2.667 1.00 0.00 H new ATOM 494 N VAL A 35 -16.227 2.518 0.299 1.00 0.00 N ATOM 495 CA VAL A 35 -16.514 2.853 1.726 1.00 0.00 C ATOM 496 C VAL A 35 -16.146 4.307 2.056 1.00 0.00 C ATOM 497 O VAL A 35 -16.927 5.016 2.654 1.00 0.00 O ATOM 498 CB VAL A 35 -15.706 1.905 2.618 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.022 0.455 2.229 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.211 2.177 2.427 1.00 0.00 C ATOM 0 H VAL A 35 -15.241 2.367 0.084 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.583 2.737 1.902 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.970 2.067 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.450 -0.224 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.087 0.266 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.754 0.292 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.635 1.503 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.942 2.013 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.991 3.209 2.700 1.00 0.00 H new ATOM 510 N THR A 36 -14.968 4.759 1.697 1.00 0.00 N ATOM 511 CA THR A 36 -14.577 6.163 2.027 1.00 0.00 C ATOM 512 C THR A 36 -13.067 6.316 1.841 1.00 0.00 C ATOM 513 O THR A 36 -12.394 5.405 1.410 1.00 0.00 O ATOM 514 CB THR A 36 -14.945 6.491 3.490 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.235 5.290 4.190 1.00 0.00 O ATOM 516 CG2 THR A 36 -16.166 7.423 3.541 1.00 0.00 C ATOM 0 H THR A 36 -14.265 4.219 1.193 1.00 0.00 H new ATOM 0 HA THR A 36 -15.109 6.847 1.366 1.00 0.00 H new ATOM 0 HB THR A 36 -14.099 6.994 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.206 5.171 4.248 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.412 7.644 4.580 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.938 8.351 3.017 1.00 0.00 H new ATOM 0 HG23 THR A 36 -17.016 6.936 3.063 1.00 0.00 H new ATOM 524 N GLY A 37 -12.537 7.469 2.153 1.00 0.00 N ATOM 525 CA GLY A 37 -11.073 7.701 1.986 1.00 0.00 C ATOM 526 C GLY A 37 -10.323 7.375 3.275 1.00 0.00 C ATOM 527 O GLY A 37 -9.524 6.463 3.322 1.00 0.00 O ATOM 0 H GLY A 37 -13.059 8.265 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.693 7.083 1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.894 8.740 1.708 1.00 0.00 H new ATOM 531 N PRO A 38 -10.553 8.126 4.314 1.00 0.00 N ATOM 532 CA PRO A 38 -9.865 7.903 5.602 1.00 0.00 C ATOM 533 C PRO A 38 -9.832 6.426 5.985 1.00 0.00 C ATOM 534 O PRO A 38 -10.836 5.742 5.993 1.00 0.00 O ATOM 535 CB PRO A 38 -10.661 8.712 6.628 1.00 0.00 C ATOM 536 CG PRO A 38 -11.781 9.384 5.881 1.00 0.00 C ATOM 537 CD PRO A 38 -11.479 9.257 4.384 1.00 0.00 C ATOM 0 HA PRO A 38 -8.822 8.215 5.548 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.054 8.063 7.411 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.024 9.450 7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.736 8.916 6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.859 10.432 6.169 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.385 9.070 3.807 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.030 10.168 3.987 1.00 0.00 H new ATOM 545 N ASN A 39 -8.674 5.944 6.305 1.00 0.00 N ATOM 546 CA ASN A 39 -8.523 4.517 6.700 1.00 0.00 C ATOM 547 C ASN A 39 -8.577 3.619 5.464 1.00 0.00 C ATOM 548 O ASN A 39 -8.888 2.449 5.558 1.00 0.00 O ATOM 549 CB ASN A 39 -9.646 4.118 7.668 1.00 0.00 C ATOM 550 CG ASN A 39 -9.090 3.198 8.757 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.513 2.066 8.887 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.152 3.637 9.551 1.00 0.00 N ATOM 0 H ASN A 39 -7.808 6.483 6.311 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.559 4.393 7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.083 5.009 8.120 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.444 3.612 7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.775 3.030 10.279 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.796 4.587 9.443 1.00 0.00 H new ATOM 559 N LEU A 40 -8.269 4.138 4.309 1.00 0.00 N ATOM 560 CA LEU A 40 -8.301 3.272 3.097 1.00 0.00 C ATOM 561 C LEU A 40 -7.004 2.464 3.046 1.00 0.00 C ATOM 562 O LEU A 40 -6.110 2.652 3.845 1.00 0.00 O ATOM 563 CB LEU A 40 -8.408 4.126 1.819 1.00 0.00 C ATOM 564 CG LEU A 40 -9.872 4.363 1.407 1.00 0.00 C ATOM 565 CD1 LEU A 40 -9.886 4.982 0.006 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.654 3.040 1.368 1.00 0.00 C ATOM 0 H LEU A 40 -8.000 5.109 4.151 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.168 2.614 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.917 5.085 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.878 3.630 1.006 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.341 5.024 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.916 5.158 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.345 5.928 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.407 4.301 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.685 3.235 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.193 2.366 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.639 2.579 2.356 1.00 0.00 H new ATOM 578 N TRP A 41 -6.896 1.575 2.106 1.00 0.00 N ATOM 579 CA TRP A 41 -5.657 0.758 1.989 1.00 0.00 C ATOM 580 C TRP A 41 -5.600 0.150 0.587 1.00 0.00 C ATOM 581 O TRP A 41 -6.165 -0.893 0.324 1.00 0.00 O ATOM 582 CB TRP A 41 -5.662 -0.351 3.051 1.00 0.00 C ATOM 583 CG TRP A 41 -4.440 -0.237 3.910 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.172 -0.148 3.447 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.348 -0.197 5.364 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.307 -0.055 4.524 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.985 -0.080 5.727 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.304 -0.248 6.393 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.587 -0.017 7.063 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.907 -0.186 7.739 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.551 -0.070 8.072 1.00 0.00 C ATOM 0 H TRP A 41 -7.614 1.376 1.409 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.780 1.385 2.150 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.559 -0.274 3.666 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.689 -1.328 2.569 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.882 -0.149 2.407 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.293 0.022 4.439 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.352 -0.336 6.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.541 0.072 7.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.651 -0.228 8.521 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.251 -0.022 9.108 1.00 0.00 H new ATOM 602 N ALA A 42 -4.940 0.809 -0.320 1.00 0.00 N ATOM 603 CA ALA A 42 -4.863 0.288 -1.708 1.00 0.00 C ATOM 604 C ALA A 42 -3.644 -0.615 -1.878 1.00 0.00 C ATOM 605 O ALA A 42 -2.584 -0.364 -1.337 1.00 0.00 O ATOM 606 CB ALA A 42 -4.754 1.466 -2.672 1.00 0.00 C ATOM 0 H ALA A 42 -4.449 1.689 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.760 -0.295 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.697 1.095 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.631 2.105 -2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.856 2.041 -2.444 1.00 0.00 H new ATOM 612 N CYS A 43 -3.791 -1.656 -2.648 1.00 0.00 N ATOM 613 CA CYS A 43 -2.652 -2.580 -2.890 1.00 0.00 C ATOM 614 C CYS A 43 -1.522 -1.796 -3.557 1.00 0.00 C ATOM 615 O CYS A 43 -1.760 -0.816 -4.233 1.00 0.00 O ATOM 616 CB CYS A 43 -3.111 -3.709 -3.808 1.00 0.00 C ATOM 617 SG CYS A 43 -2.064 -5.160 -3.549 1.00 0.00 S ATOM 0 H CYS A 43 -4.658 -1.907 -3.123 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.300 -3.004 -1.950 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.152 -3.958 -3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.058 -3.390 -4.849 1.00 0.00 H new ATOM 622 N LEU A 44 -0.295 -2.200 -3.362 1.00 0.00 N ATOM 623 CA LEU A 44 0.833 -1.446 -3.982 1.00 0.00 C ATOM 624 C LEU A 44 1.838 -2.400 -4.634 1.00 0.00 C ATOM 625 O LEU A 44 3.032 -2.255 -4.465 1.00 0.00 O ATOM 626 CB LEU A 44 1.537 -0.624 -2.899 1.00 0.00 C ATOM 627 CG LEU A 44 2.518 0.365 -3.552 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.805 1.685 -3.846 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.689 0.631 -2.602 1.00 0.00 C ATOM 0 H LEU A 44 -0.026 -3.012 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 44 0.434 -0.790 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.801 -0.082 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.072 -1.285 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 44 2.888 -0.065 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.505 2.381 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.971 1.505 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.430 2.111 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.383 1.332 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.313 1.056 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.206 -0.305 -2.391 1.00 0.00 H new ATOM 641 N GLN A 45 1.383 -3.365 -5.389 1.00 0.00 N ATOM 642 CA GLN A 45 2.349 -4.290 -6.049 1.00 0.00 C ATOM 643 C GLN A 45 2.685 -3.763 -7.446 1.00 0.00 C ATOM 644 O GLN A 45 1.877 -3.136 -8.103 1.00 0.00 O ATOM 645 CB GLN A 45 1.764 -5.699 -6.157 1.00 0.00 C ATOM 646 CG GLN A 45 0.768 -5.926 -5.026 1.00 0.00 C ATOM 647 CD GLN A 45 1.529 -6.066 -3.707 1.00 0.00 C ATOM 648 OE1 GLN A 45 1.528 -5.164 -2.893 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.183 -7.168 -3.459 1.00 0.00 N ATOM 0 H GLN A 45 0.398 -3.551 -5.575 1.00 0.00 H new ATOM 0 HA GLN A 45 3.255 -4.338 -5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.271 -5.826 -7.121 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.562 -6.440 -6.107 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.068 -5.093 -4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.180 -6.824 -5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.184 -7.925 -4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.693 -7.272 -2.582 1.00 0.00 H new ATOM 658 N VAL A 46 3.884 -4.009 -7.887 1.00 0.00 N ATOM 659 CA VAL A 46 4.325 -3.529 -9.231 1.00 0.00 C ATOM 660 C VAL A 46 3.207 -3.667 -10.275 1.00 0.00 C ATOM 661 O VAL A 46 3.246 -3.024 -11.305 1.00 0.00 O ATOM 662 CB VAL A 46 5.536 -4.354 -9.685 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.078 -5.746 -10.126 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.223 -3.648 -10.856 1.00 0.00 C ATOM 0 H VAL A 46 4.591 -4.530 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 46 4.585 -2.474 -9.147 1.00 0.00 H new ATOM 0 HB VAL A 46 6.236 -4.452 -8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.942 -6.328 -10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.591 -6.250 -9.291 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.375 -5.652 -10.954 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.084 -4.233 -11.179 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.520 -3.548 -11.683 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.555 -2.659 -10.540 1.00 0.00 H new ATOM 674 N ALA A 47 2.225 -4.501 -10.049 1.00 0.00 N ATOM 675 CA ALA A 47 1.152 -4.651 -11.080 1.00 0.00 C ATOM 676 C ALA A 47 -0.204 -4.959 -10.437 1.00 0.00 C ATOM 677 O ALA A 47 -0.911 -5.845 -10.874 1.00 0.00 O ATOM 678 CB ALA A 47 1.527 -5.789 -12.030 1.00 0.00 C ATOM 0 H ALA A 47 2.119 -5.075 -9.213 1.00 0.00 H new ATOM 0 HA ALA A 47 1.066 -3.710 -11.623 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.749 -5.904 -12.785 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.474 -5.559 -12.518 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.625 -6.716 -11.466 1.00 0.00 H new ATOM 684 N CYS A 48 -0.588 -4.233 -9.419 1.00 0.00 N ATOM 685 CA CYS A 48 -1.914 -4.492 -8.783 1.00 0.00 C ATOM 686 C CYS A 48 -2.610 -3.165 -8.479 1.00 0.00 C ATOM 687 O CYS A 48 -2.570 -2.679 -7.366 1.00 0.00 O ATOM 688 CB CYS A 48 -1.720 -5.258 -7.479 1.00 0.00 C ATOM 689 SG CYS A 48 -3.310 -5.947 -6.962 1.00 0.00 S ATOM 0 H CYS A 48 -0.045 -3.477 -9.003 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.525 -5.080 -9.468 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.990 -6.056 -7.616 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.328 -4.596 -6.708 1.00 0.00 H new ATOM 694 N PRO A 49 -3.251 -2.582 -9.457 1.00 0.00 N ATOM 695 CA PRO A 49 -3.972 -1.296 -9.285 1.00 0.00 C ATOM 696 C PRO A 49 -5.403 -1.496 -8.770 1.00 0.00 C ATOM 697 O PRO A 49 -6.301 -1.822 -9.520 1.00 0.00 O ATOM 698 CB PRO A 49 -3.983 -0.723 -10.700 1.00 0.00 C ATOM 699 CG PRO A 49 -4.006 -1.917 -11.606 1.00 0.00 C ATOM 700 CD PRO A 49 -3.357 -3.081 -10.837 1.00 0.00 C ATOM 0 HA PRO A 49 -3.498 -0.648 -8.548 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.855 -0.089 -10.862 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.103 -0.107 -10.882 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.029 -2.166 -11.890 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.460 -1.712 -12.527 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.967 -3.983 -10.889 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.379 -3.333 -11.246 1.00 0.00 H new ATOM 708 N TYR A 50 -5.615 -1.287 -7.499 1.00 0.00 N ATOM 709 CA TYR A 50 -6.975 -1.446 -6.912 1.00 0.00 C ATOM 710 C TYR A 50 -6.944 -0.872 -5.496 1.00 0.00 C ATOM 711 O TYR A 50 -6.042 -1.155 -4.733 1.00 0.00 O ATOM 712 CB TYR A 50 -7.346 -2.932 -6.848 1.00 0.00 C ATOM 713 CG TYR A 50 -7.700 -3.433 -8.230 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.897 -4.397 -8.854 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.831 -2.935 -8.888 1.00 0.00 C ATOM 716 CE1 TYR A 50 -7.224 -4.859 -10.134 1.00 0.00 C ATOM 717 CE2 TYR A 50 -9.158 -3.398 -10.168 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.356 -4.360 -10.790 1.00 0.00 C ATOM 719 OH TYR A 50 -8.678 -4.816 -12.053 1.00 0.00 O ATOM 0 H TYR A 50 -4.893 -1.009 -6.834 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.712 -0.927 -7.524 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.512 -3.507 -6.446 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.189 -3.077 -6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.025 -4.784 -8.347 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.452 -2.193 -8.408 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.603 -5.600 -10.616 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.030 -3.012 -10.675 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.493 -4.369 -12.364 1.00 0.00 H new ATOM 729 N VAL A 51 -7.904 -0.062 -5.132 1.00 0.00 N ATOM 730 CA VAL A 51 -7.885 0.523 -3.760 1.00 0.00 C ATOM 731 C VAL A 51 -8.865 -0.227 -2.859 1.00 0.00 C ATOM 732 O VAL A 51 -10.066 -0.104 -2.977 1.00 0.00 O ATOM 733 CB VAL A 51 -8.235 2.013 -3.825 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.412 2.230 -4.778 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.593 2.534 -2.427 1.00 0.00 C ATOM 0 H VAL A 51 -8.691 0.217 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.885 0.422 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.369 2.562 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.656 3.292 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.142 1.880 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.278 1.673 -4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.840 3.594 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.451 1.983 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.743 2.396 -1.759 1.00 0.00 H new ATOM 745 N GLY A 52 -8.345 -1.017 -1.959 1.00 0.00 N ATOM 746 CA GLY A 52 -9.216 -1.801 -1.045 1.00 0.00 C ATOM 747 C GLY A 52 -9.570 -0.974 0.192 1.00 0.00 C ATOM 748 O GLY A 52 -9.260 0.197 0.284 1.00 0.00 O ATOM 0 H GLY A 52 -7.344 -1.152 -1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.127 -2.097 -1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.708 -2.717 -0.745 1.00 0.00 H new ATOM 752 N CYS A 53 -10.227 -1.582 1.144 1.00 0.00 N ATOM 753 CA CYS A 53 -10.621 -0.855 2.383 1.00 0.00 C ATOM 754 C CYS A 53 -9.643 -1.157 3.495 1.00 0.00 C ATOM 755 O CYS A 53 -8.816 -2.043 3.418 1.00 0.00 O ATOM 756 CB CYS A 53 -11.978 -1.359 2.902 1.00 0.00 C ATOM 757 SG CYS A 53 -12.339 -2.989 2.200 1.00 0.00 S ATOM 0 H CYS A 53 -10.510 -2.562 1.114 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.651 0.205 2.131 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.962 -1.417 3.990 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.765 -0.655 2.632 1.00 0.00 H new ATOM 762 N GLY A 54 -9.826 -0.460 4.564 1.00 0.00 N ATOM 763 CA GLY A 54 -9.037 -0.697 5.785 1.00 0.00 C ATOM 764 C GLY A 54 -10.076 -1.145 6.797 1.00 0.00 C ATOM 765 O GLY A 54 -11.246 -0.884 6.607 1.00 0.00 O ATOM 0 H GLY A 54 -10.513 0.290 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.274 -1.460 5.628 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.522 0.206 6.112 1.00 0.00 H new ATOM 769 N GLU A 55 -9.707 -1.829 7.837 1.00 0.00 N ATOM 770 CA GLU A 55 -10.743 -2.287 8.817 1.00 0.00 C ATOM 771 C GLU A 55 -11.959 -1.381 8.745 1.00 0.00 C ATOM 772 O GLU A 55 -13.086 -1.824 8.840 1.00 0.00 O ATOM 773 CB GLU A 55 -10.176 -2.234 10.225 1.00 0.00 C ATOM 774 CG GLU A 55 -9.989 -0.776 10.655 1.00 0.00 C ATOM 775 CD GLU A 55 -9.074 -0.718 11.880 1.00 0.00 C ATOM 776 OE1 GLU A 55 -7.985 -1.264 11.809 1.00 0.00 O ATOM 777 OE2 GLU A 55 -9.477 -0.128 12.869 1.00 0.00 O ATOM 0 H GLU A 55 -8.746 -2.093 8.057 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.031 -3.309 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.847 -2.743 10.916 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.221 -2.759 10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.558 -0.197 9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.955 -0.328 10.888 1.00 0.00 H new ATOM 784 N SER A 56 -11.727 -0.118 8.549 1.00 0.00 N ATOM 785 CA SER A 56 -12.850 0.848 8.426 1.00 0.00 C ATOM 786 C SER A 56 -14.064 0.119 7.851 1.00 0.00 C ATOM 787 O SER A 56 -15.179 0.288 8.305 1.00 0.00 O ATOM 788 CB SER A 56 -12.430 1.967 7.475 1.00 0.00 C ATOM 789 OG SER A 56 -12.214 3.156 8.224 1.00 0.00 O ATOM 0 H SER A 56 -10.797 0.292 8.468 1.00 0.00 H new ATOM 0 HA SER A 56 -13.101 1.267 9.400 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.521 1.687 6.943 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.202 2.131 6.723 1.00 0.00 H new ATOM 0 HG SER A 56 -12.445 3.935 7.676 1.00 0.00 H new ATOM 795 N PHE A 57 -13.841 -0.706 6.860 1.00 0.00 N ATOM 796 CA PHE A 57 -14.972 -1.473 6.255 1.00 0.00 C ATOM 797 C PHE A 57 -14.739 -2.965 6.447 1.00 0.00 C ATOM 798 O PHE A 57 -15.099 -3.545 7.453 1.00 0.00 O ATOM 799 CB PHE A 57 -15.061 -1.186 4.761 1.00 0.00 C ATOM 800 CG PHE A 57 -16.182 -2.006 4.164 1.00 0.00 C ATOM 801 CD1 PHE A 57 -17.509 -1.744 4.529 1.00 0.00 C ATOM 802 CD2 PHE A 57 -15.898 -3.028 3.251 1.00 0.00 C ATOM 803 CE1 PHE A 57 -18.549 -2.503 3.980 1.00 0.00 C ATOM 804 CE2 PHE A 57 -16.938 -3.788 2.703 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.264 -3.524 3.067 1.00 0.00 C ATOM 0 H PHE A 57 -12.926 -0.882 6.444 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.898 -1.170 6.744 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.241 -0.124 4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.117 -1.430 4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.730 -0.956 5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.875 -3.231 2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.572 -2.300 4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.718 -4.578 2.000 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.067 -4.109 2.643 1.00 0.00 H new ATOM 815 N ALA A 58 -14.131 -3.584 5.478 1.00 0.00 N ATOM 816 CA ALA A 58 -13.847 -5.047 5.563 1.00 0.00 C ATOM 817 C ALA A 58 -12.340 -5.255 5.456 1.00 0.00 C ATOM 818 O ALA A 58 -11.843 -6.362 5.510 1.00 0.00 O ATOM 819 CB ALA A 58 -14.547 -5.771 4.411 1.00 0.00 C ATOM 0 H ALA A 58 -13.813 -3.136 4.618 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.213 -5.445 6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.340 -6.839 4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.622 -5.606 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.178 -5.384 3.461 1.00 0.00 H new ATOM 825 N ASP A 59 -11.613 -4.185 5.307 1.00 0.00 N ATOM 826 CA ASP A 59 -10.134 -4.281 5.199 1.00 0.00 C ATOM 827 C ASP A 59 -9.744 -5.242 4.076 1.00 0.00 C ATOM 828 O ASP A 59 -9.112 -6.252 4.315 1.00 0.00 O ATOM 829 CB ASP A 59 -9.547 -4.780 6.524 1.00 0.00 C ATOM 830 CG ASP A 59 -8.051 -5.049 6.359 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.292 -4.100 6.435 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.692 -6.198 6.165 1.00 0.00 O ATOM 0 H ASP A 59 -11.986 -3.237 5.255 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.737 -3.291 4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.708 -4.038 7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.057 -5.691 6.838 1.00 0.00 H new ATOM 837 N HIS A 60 -10.079 -4.936 2.846 1.00 0.00 N ATOM 838 CA HIS A 60 -9.668 -5.847 1.741 1.00 0.00 C ATOM 839 C HIS A 60 -8.181 -6.123 1.934 1.00 0.00 C ATOM 840 O HIS A 60 -7.655 -7.129 1.526 1.00 0.00 O ATOM 841 CB HIS A 60 -9.884 -5.167 0.378 1.00 0.00 C ATOM 842 CG HIS A 60 -11.082 -5.753 -0.322 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.220 -5.004 -0.622 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.327 -7.018 -0.797 1.00 0.00 C ATOM 845 CE1 HIS A 60 -13.083 -5.830 -1.247 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.588 -7.059 -1.376 1.00 0.00 N ATOM 0 H HIS A 60 -10.609 -4.111 2.566 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.256 -6.765 1.760 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.026 -4.095 0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.996 -5.292 -0.242 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.644 -7.852 -0.730 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -14.059 -5.531 -1.601 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.041 -7.863 -1.810 1.00 0.00 H new ATOM 854 N SER A 61 -7.513 -5.211 2.577 1.00 0.00 N ATOM 855 CA SER A 61 -6.058 -5.372 2.834 1.00 0.00 C ATOM 856 C SER A 61 -5.761 -6.796 3.307 1.00 0.00 C ATOM 857 O SER A 61 -4.697 -7.331 3.060 1.00 0.00 O ATOM 858 CB SER A 61 -5.645 -4.378 3.922 1.00 0.00 C ATOM 859 OG SER A 61 -4.291 -3.994 3.722 1.00 0.00 O ATOM 0 H SER A 61 -7.919 -4.349 2.941 1.00 0.00 H new ATOM 0 HA SER A 61 -5.500 -5.184 1.916 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.291 -3.501 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.765 -4.829 4.907 1.00 0.00 H new ATOM 0 HG SER A 61 -3.856 -3.865 4.591 1.00 0.00 H new ATOM 865 N THR A 62 -6.682 -7.413 3.995 1.00 0.00 N ATOM 866 CA THR A 62 -6.432 -8.790 4.490 1.00 0.00 C ATOM 867 C THR A 62 -6.875 -9.820 3.457 1.00 0.00 C ATOM 868 O THR A 62 -6.073 -10.563 2.927 1.00 0.00 O ATOM 869 CB THR A 62 -7.216 -9.027 5.776 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.467 -8.360 5.696 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.426 -8.503 6.978 1.00 0.00 C ATOM 0 H THR A 62 -7.593 -7.022 4.234 1.00 0.00 H new ATOM 0 HA THR A 62 -5.363 -8.896 4.674 1.00 0.00 H new ATOM 0 HB THR A 62 -7.381 -10.097 5.903 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.398 -7.482 6.127 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.995 -8.677 7.891 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.471 -9.024 7.041 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.249 -7.434 6.859 1.00 0.00 H new ATOM 879 N ILE A 63 -8.150 -9.896 3.186 1.00 0.00 N ATOM 880 CA ILE A 63 -8.618 -10.911 2.210 1.00 0.00 C ATOM 881 C ILE A 63 -7.904 -10.692 0.877 1.00 0.00 C ATOM 882 O ILE A 63 -7.621 -11.620 0.149 1.00 0.00 O ATOM 883 CB ILE A 63 -10.123 -10.819 2.003 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.511 -9.364 1.796 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.851 -11.376 3.229 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.920 -9.284 1.207 1.00 0.00 C ATOM 0 H ILE A 63 -8.876 -9.307 3.593 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.388 -11.902 2.601 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.405 -11.402 1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.472 -8.829 2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.799 -8.880 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.928 -11.307 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.571 -12.419 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.573 -10.798 4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.194 -8.239 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.944 -9.804 0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.628 -9.752 1.891 1.00 0.00 H new ATOM 898 N HIS A 64 -7.610 -9.466 0.560 1.00 0.00 N ATOM 899 CA HIS A 64 -6.906 -9.173 -0.720 1.00 0.00 C ATOM 900 C HIS A 64 -5.458 -9.646 -0.616 1.00 0.00 C ATOM 901 O HIS A 64 -4.921 -10.234 -1.534 1.00 0.00 O ATOM 902 CB HIS A 64 -6.920 -7.671 -1.006 1.00 0.00 C ATOM 903 CG HIS A 64 -6.224 -7.428 -2.313 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.907 -7.083 -3.470 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.902 -7.513 -2.669 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.999 -6.977 -4.458 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.763 -7.232 -4.021 1.00 0.00 N ATOM 0 H HIS A 64 -7.826 -8.650 1.132 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.417 -9.694 -1.530 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.945 -7.303 -1.049 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.420 -7.128 -0.204 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.913 -6.937 -3.556 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.092 -7.761 -1.999 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.240 -6.718 -5.478 1.00 0.00 H new ATOM 915 N ALA A 65 -4.824 -9.421 0.505 1.00 0.00 N ATOM 916 CA ALA A 65 -3.420 -9.892 0.660 1.00 0.00 C ATOM 917 C ALA A 65 -3.485 -11.393 0.887 1.00 0.00 C ATOM 918 O ALA A 65 -2.533 -12.123 0.722 1.00 0.00 O ATOM 919 CB ALA A 65 -2.773 -9.211 1.869 1.00 0.00 C ATOM 0 H ALA A 65 -5.215 -8.936 1.312 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.825 -9.653 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.746 -9.560 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.776 -8.131 1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.336 -9.457 2.769 1.00 0.00 H new ATOM 925 N GLN A 66 -4.634 -11.827 1.288 1.00 0.00 N ATOM 926 CA GLN A 66 -4.892 -13.257 1.576 1.00 0.00 C ATOM 927 C GLN A 66 -5.221 -14.012 0.280 1.00 0.00 C ATOM 928 O GLN A 66 -4.885 -15.168 0.119 1.00 0.00 O ATOM 929 CB GLN A 66 -6.107 -13.268 2.496 1.00 0.00 C ATOM 930 CG GLN A 66 -6.718 -14.665 2.641 1.00 0.00 C ATOM 931 CD GLN A 66 -6.197 -15.330 3.919 1.00 0.00 C ATOM 932 OE1 GLN A 66 -6.130 -14.705 4.959 1.00 0.00 O ATOM 933 NE2 GLN A 66 -5.824 -16.581 3.884 1.00 0.00 N ATOM 0 H GLN A 66 -5.443 -11.223 1.435 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.025 -13.740 2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.818 -12.897 3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.861 -12.584 2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.805 -14.595 2.674 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.464 -15.275 1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.880 -17.106 3.011 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.476 -17.033 4.730 1.00 0.00 H new ATOM 942 N ALA A 67 -5.899 -13.369 -0.630 1.00 0.00 N ATOM 943 CA ALA A 67 -6.285 -14.044 -1.900 1.00 0.00 C ATOM 944 C ALA A 67 -5.183 -13.864 -2.941 1.00 0.00 C ATOM 945 O ALA A 67 -4.825 -14.782 -3.651 1.00 0.00 O ATOM 946 CB ALA A 67 -7.592 -13.430 -2.420 1.00 0.00 C ATOM 0 H ALA A 67 -6.204 -12.399 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.427 -15.109 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.880 -13.920 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.379 -13.568 -1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.447 -12.365 -2.601 1.00 0.00 H new ATOM 952 N LYS A 68 -4.656 -12.678 -3.042 1.00 0.00 N ATOM 953 CA LYS A 68 -3.586 -12.411 -4.042 1.00 0.00 C ATOM 954 C LYS A 68 -2.225 -12.461 -3.357 1.00 0.00 C ATOM 955 O LYS A 68 -1.214 -12.078 -3.913 1.00 0.00 O ATOM 956 CB LYS A 68 -3.820 -11.034 -4.655 1.00 0.00 C ATOM 957 CG LYS A 68 -5.239 -10.977 -5.242 1.00 0.00 C ATOM 958 CD LYS A 68 -6.219 -10.416 -4.207 1.00 0.00 C ATOM 959 CE LYS A 68 -7.520 -10.010 -4.904 1.00 0.00 C ATOM 960 NZ LYS A 68 -8.588 -9.813 -3.884 1.00 0.00 N ATOM 0 H LYS A 68 -4.922 -11.876 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.609 -13.166 -4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.695 -10.260 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.083 -10.840 -5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.246 -10.353 -6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.554 -11.975 -5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.423 -11.164 -3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.780 -9.555 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.370 -9.091 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.819 -10.779 -5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.518 -9.823 -4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.543 -10.579 -3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.449 -8.899 -3.408 1.00 0.00 H new ATOM 974 N LYS A 69 -2.201 -12.945 -2.153 1.00 0.00 N ATOM 975 CA LYS A 69 -0.924 -13.054 -1.399 1.00 0.00 C ATOM 976 C LYS A 69 -0.131 -11.743 -1.478 1.00 0.00 C ATOM 977 O LYS A 69 1.043 -11.705 -1.165 1.00 0.00 O ATOM 978 CB LYS A 69 -0.082 -14.206 -1.971 1.00 0.00 C ATOM 979 CG LYS A 69 -0.987 -15.249 -2.647 1.00 0.00 C ATOM 980 CD LYS A 69 -2.181 -15.607 -1.741 1.00 0.00 C ATOM 981 CE LYS A 69 -2.406 -17.121 -1.756 1.00 0.00 C ATOM 982 NZ LYS A 69 -3.737 -17.433 -1.161 1.00 0.00 N ATOM 0 H LYS A 69 -3.024 -13.276 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.155 -13.255 -0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.636 -13.816 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.492 -14.676 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.350 -14.860 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.411 -16.147 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.991 -15.268 -0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.078 -15.093 -2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.356 -17.496 -2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.618 -17.622 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.632 -18.186 -0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.123 -16.580 -0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.386 -17.751 -1.909 1.00 0.00 H new ATOM 996 N HIS A 70 -0.755 -10.659 -1.860 1.00 0.00 N ATOM 997 CA HIS A 70 -0.010 -9.363 -1.910 1.00 0.00 C ATOM 998 C HIS A 70 0.149 -8.866 -0.470 1.00 0.00 C ATOM 999 O HIS A 70 -0.822 -8.643 0.222 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.792 -8.344 -2.744 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.853 -8.818 -4.170 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.834 -8.391 -5.052 1.00 0.00 N ATOM 1003 CD2 HIS A 70 -0.053 -9.677 -4.888 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.602 -8.985 -6.237 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.531 -9.777 -6.188 1.00 0.00 N ATOM 0 H HIS A 70 -1.736 -10.613 -2.137 1.00 0.00 H new ATOM 0 HA HIS A 70 0.968 -9.496 -2.373 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.799 -8.224 -2.344 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.311 -7.367 -2.693 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.813 -10.194 -4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.208 -8.838 -7.119 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.144 -10.339 -6.946 1.00 0.00 H new ATOM 1013 N ASN A 71 1.359 -8.725 0.005 1.00 0.00 N ATOM 1014 CA ASN A 71 1.550 -8.286 1.417 1.00 0.00 C ATOM 1015 C ASN A 71 1.642 -6.761 1.512 1.00 0.00 C ATOM 1016 O ASN A 71 1.153 -6.164 2.449 1.00 0.00 O ATOM 1017 CB ASN A 71 2.839 -8.909 1.963 1.00 0.00 C ATOM 1018 CG ASN A 71 3.854 -9.073 0.829 1.00 0.00 C ATOM 1019 OD1 ASN A 71 4.340 -10.160 0.587 1.00 0.00 O ATOM 1020 ND2 ASN A 71 4.196 -8.033 0.118 1.00 0.00 N ATOM 0 H ASN A 71 2.217 -8.894 -0.520 1.00 0.00 H new ATOM 0 HA ASN A 71 0.692 -8.614 2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.255 -8.278 2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.623 -9.878 2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.871 -8.133 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.788 -7.120 0.321 1.00 0.00 H new ATOM 1027 N LEU A 72 2.293 -6.130 0.578 1.00 0.00 N ATOM 1028 CA LEU A 72 2.452 -4.649 0.658 1.00 0.00 C ATOM 1029 C LEU A 72 1.221 -3.901 0.154 1.00 0.00 C ATOM 1030 O LEU A 72 0.680 -4.175 -0.899 1.00 0.00 O ATOM 1031 CB LEU A 72 3.660 -4.229 -0.170 1.00 0.00 C ATOM 1032 CG LEU A 72 4.929 -4.790 0.474 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.003 -4.976 -0.594 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.443 -3.820 1.547 1.00 0.00 C ATOM 0 H LEU A 72 2.721 -6.571 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 72 2.588 -4.392 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.562 -4.598 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.717 -3.142 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 72 4.700 -5.750 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.907 -5.376 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.644 -5.670 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.226 -4.015 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.347 -4.226 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.668 -2.857 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.679 -3.688 2.314 1.00 0.00 H new ATOM 1046 N THR A 73 0.819 -2.917 0.907 1.00 0.00 N ATOM 1047 CA THR A 73 -0.336 -2.061 0.531 1.00 0.00 C ATOM 1048 C THR A 73 -0.070 -0.686 1.140 1.00 0.00 C ATOM 1049 O THR A 73 0.715 -0.569 2.057 1.00 0.00 O ATOM 1050 CB THR A 73 -1.636 -2.641 1.100 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.776 -2.239 2.455 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.601 -4.168 1.022 1.00 0.00 C ATOM 0 H THR A 73 1.257 -2.665 1.793 1.00 0.00 H new ATOM 0 HA THR A 73 -0.446 -2.004 -0.552 1.00 0.00 H new ATOM 0 HB THR A 73 -2.481 -2.272 0.518 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.670 -1.862 2.594 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.527 -4.574 1.428 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.494 -4.477 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.756 -4.543 1.600 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.683 0.358 0.650 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.397 1.707 1.232 1.00 0.00 C ATOM 1062 C VAL A 74 -1.676 2.356 1.757 1.00 0.00 C ATOM 1063 O VAL A 74 -2.674 2.457 1.072 1.00 0.00 O ATOM 1064 CB VAL A 74 0.241 2.594 0.157 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.586 2.514 -1.128 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.283 4.046 0.639 1.00 0.00 C ATOM 0 H VAL A 74 -1.358 0.341 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 74 0.290 1.592 2.070 1.00 0.00 H new ATOM 0 HB VAL A 74 1.256 2.247 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.132 3.145 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.614 1.482 -1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.601 2.858 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.738 4.671 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.731 4.393 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.873 4.109 1.554 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.635 2.802 2.986 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.821 3.457 3.597 1.00 0.00 C ATOM 1078 C ASN A 75 -2.868 4.918 3.160 1.00 0.00 C ATOM 1079 O ASN A 75 -2.133 5.749 3.656 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.715 3.386 5.123 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.080 3.685 5.744 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -4.945 4.244 5.099 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.312 3.335 6.980 1.00 0.00 N ATOM 0 H ASN A 75 -0.820 2.738 3.596 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.728 2.947 3.273 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.373 2.397 5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.976 4.103 5.481 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.219 3.531 7.404 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.586 2.866 7.522 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.724 5.239 2.236 1.00 0.00 N ATOM 1091 CA LEU A 76 -3.816 6.648 1.768 1.00 0.00 C ATOM 1092 C LEU A 76 -4.446 7.494 2.870 1.00 0.00 C ATOM 1093 O LEU A 76 -4.878 8.609 2.652 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.666 6.693 0.499 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.205 5.569 -0.454 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.394 4.682 -0.831 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.585 6.160 -1.727 1.00 0.00 C ATOM 0 H LEU A 76 -4.365 4.587 1.783 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.826 7.044 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.720 6.568 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.566 7.663 0.013 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.453 4.971 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.060 3.892 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.816 4.237 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.154 5.284 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.266 5.352 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.324 6.776 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.723 6.773 -1.462 1.00 0.00 H new ATOM 1109 N THR A 77 -4.478 6.969 4.064 1.00 0.00 N ATOM 1110 CA THR A 77 -5.052 7.722 5.210 1.00 0.00 C ATOM 1111 C THR A 77 -3.911 8.386 5.973 1.00 0.00 C ATOM 1112 O THR A 77 -4.025 9.499 6.445 1.00 0.00 O ATOM 1113 CB THR A 77 -5.781 6.751 6.135 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.755 6.045 5.387 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.448 7.531 7.272 1.00 0.00 C ATOM 0 H THR A 77 -4.126 6.040 4.295 1.00 0.00 H new ATOM 0 HA THR A 77 -5.753 8.476 4.852 1.00 0.00 H new ATOM 0 HB THR A 77 -5.073 6.042 6.564 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.319 5.340 4.865 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.969 6.838 7.932 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.688 8.070 7.838 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.162 8.241 6.856 1.00 0.00 H new ATOM 1123 N THR A 78 -2.813 7.692 6.102 1.00 0.00 N ATOM 1124 CA THR A 78 -1.643 8.257 6.844 1.00 0.00 C ATOM 1125 C THR A 78 -0.412 8.341 5.936 1.00 0.00 C ATOM 1126 O THR A 78 0.553 9.008 6.256 1.00 0.00 O ATOM 1127 CB THR A 78 -1.322 7.363 8.042 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.523 7.052 8.733 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.362 8.092 8.984 1.00 0.00 C ATOM 0 H THR A 78 -2.673 6.755 5.725 1.00 0.00 H new ATOM 0 HA THR A 78 -1.899 9.261 7.182 1.00 0.00 H new ATOM 0 HB THR A 78 -0.854 6.442 7.694 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.531 7.511 9.599 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.134 7.453 9.837 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.559 8.329 8.452 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.826 9.014 9.335 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.432 7.680 4.812 1.00 0.00 N ATOM 1138 CA PHE A 79 0.739 7.732 3.884 1.00 0.00 C ATOM 1139 C PHE A 79 1.849 6.788 4.363 1.00 0.00 C ATOM 1140 O PHE A 79 3.005 7.154 4.435 1.00 0.00 O ATOM 1141 CB PHE A 79 1.279 9.168 3.804 1.00 0.00 C ATOM 1142 CG PHE A 79 1.854 9.421 2.428 1.00 0.00 C ATOM 1143 CD1 PHE A 79 3.227 9.653 2.271 1.00 0.00 C ATOM 1144 CD2 PHE A 79 1.013 9.424 1.309 1.00 0.00 C ATOM 1145 CE1 PHE A 79 3.757 9.888 0.998 1.00 0.00 C ATOM 1146 CE2 PHE A 79 1.543 9.658 0.034 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.915 9.891 -0.121 1.00 0.00 C ATOM 0 H PHE A 79 -1.210 7.103 4.493 1.00 0.00 H new ATOM 0 HA PHE A 79 0.411 7.413 2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.480 9.879 4.011 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.046 9.321 4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.877 9.650 3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.045 9.246 1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.815 10.067 0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.894 9.659 -0.829 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.324 10.073 -1.104 1.00 0.00 H new ATOM 1157 N ARG A 80 1.506 5.563 4.652 1.00 0.00 N ATOM 1158 CA ARG A 80 2.524 4.565 5.085 1.00 0.00 C ATOM 1159 C ARG A 80 2.171 3.242 4.414 1.00 0.00 C ATOM 1160 O ARG A 80 1.210 3.157 3.677 1.00 0.00 O ATOM 1161 CB ARG A 80 2.524 4.388 6.610 1.00 0.00 C ATOM 1162 CG ARG A 80 1.265 5.006 7.230 1.00 0.00 C ATOM 1163 CD ARG A 80 1.026 4.373 8.604 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.210 4.932 9.225 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.363 4.337 9.054 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.434 4.819 9.622 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -1.447 3.266 8.311 1.00 0.00 N ATOM 0 H ARG A 80 0.551 5.207 4.606 1.00 0.00 H new ATOM 0 HA ARG A 80 3.519 4.906 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.574 3.328 6.858 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.412 4.857 7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.384 6.085 7.328 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.404 4.837 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.933 3.292 8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.883 4.560 9.252 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.156 5.782 9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.372 5.658 10.198 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.333 4.357 9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.612 2.890 7.862 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.348 2.805 8.180 1.00 0.00 H new ATOM 1181 N LEU A 81 2.932 2.212 4.644 1.00 0.00 N ATOM 1182 CA LEU A 81 2.621 0.910 3.991 1.00 0.00 C ATOM 1183 C LEU A 81 2.259 -0.140 5.032 1.00 0.00 C ATOM 1184 O LEU A 81 2.249 0.111 6.219 1.00 0.00 O ATOM 1185 CB LEU A 81 3.840 0.436 3.191 1.00 0.00 C ATOM 1186 CG LEU A 81 3.607 0.668 1.708 1.00 0.00 C ATOM 1187 CD1 LEU A 81 3.524 2.170 1.427 1.00 0.00 C ATOM 1188 CD2 LEU A 81 4.761 0.063 0.908 1.00 0.00 C ATOM 0 H LEU A 81 3.751 2.213 5.252 1.00 0.00 H new ATOM 0 HA LEU A 81 1.770 1.049 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.731 0.973 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.020 -0.623 3.379 1.00 0.00 H new ATOM 0 HG LEU A 81 2.671 0.193 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.357 2.332 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.699 2.601 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.457 2.648 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.593 0.230 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.697 0.535 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.817 -1.008 1.103 1.00 0.00 H new ATOM 1200 N TRP A 82 1.969 -1.321 4.573 1.00 0.00 N ATOM 1201 CA TRP A 82 1.610 -2.432 5.489 1.00 0.00 C ATOM 1202 C TRP A 82 1.922 -3.743 4.777 1.00 0.00 C ATOM 1203 O TRP A 82 1.275 -4.108 3.814 1.00 0.00 O ATOM 1204 CB TRP A 82 0.118 -2.365 5.826 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.284 -3.547 6.658 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.565 -4.413 7.265 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -1.629 -4.004 6.986 1.00 0.00 C ATOM 1208 NE1 TRP A 82 -0.174 -5.367 7.940 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -1.530 -5.158 7.798 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -2.912 -3.532 6.659 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -2.663 -5.821 8.269 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -4.055 -4.196 7.131 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -3.931 -5.338 7.935 1.00 0.00 C ATOM 0 H TRP A 82 1.966 -1.567 3.583 1.00 0.00 H new ATOM 0 HA TRP A 82 2.177 -2.359 6.417 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.099 -1.443 6.365 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.468 -2.343 4.907 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.643 -4.365 7.227 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.234 -6.132 8.477 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -3.019 -2.653 6.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -2.561 -6.701 8.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -5.036 -3.825 6.873 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -4.814 -5.844 8.296 1.00 0.00 H new ATOM 1224 N CYS A 83 2.918 -4.448 5.229 1.00 0.00 N ATOM 1225 CA CYS A 83 3.283 -5.723 4.568 1.00 0.00 C ATOM 1226 C CYS A 83 2.588 -6.881 5.268 1.00 0.00 C ATOM 1227 O CYS A 83 2.961 -7.254 6.352 1.00 0.00 O ATOM 1228 CB CYS A 83 4.795 -5.921 4.670 1.00 0.00 C ATOM 1229 SG CYS A 83 5.387 -6.771 3.190 1.00 0.00 S ATOM 0 H CYS A 83 3.495 -4.193 6.030 1.00 0.00 H new ATOM 0 HA CYS A 83 2.976 -5.690 3.523 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.293 -4.957 4.774 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.038 -6.503 5.559 1.00 0.00 H new ATOM 1234 N TYR A 84 1.605 -7.479 4.659 1.00 0.00 N ATOM 1235 CA TYR A 84 0.953 -8.635 5.326 1.00 0.00 C ATOM 1236 C TYR A 84 1.975 -9.767 5.354 1.00 0.00 C ATOM 1237 O TYR A 84 1.716 -10.854 5.833 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.302 -9.062 4.549 1.00 0.00 C ATOM 1239 CG TYR A 84 -1.314 -9.653 5.504 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.548 -11.034 5.511 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -2.018 -8.820 6.381 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -2.485 -11.580 6.395 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.956 -9.366 7.265 1.00 0.00 C ATOM 1244 CZ TYR A 84 -3.189 -10.746 7.272 1.00 0.00 C ATOM 1245 OH TYR A 84 -4.114 -11.286 8.144 1.00 0.00 O ATOM 0 H TYR A 84 1.231 -7.223 3.745 1.00 0.00 H new ATOM 0 HA TYR A 84 0.638 -8.374 6.336 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.732 -8.204 4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.038 -9.793 3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.005 -11.677 4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.837 -7.755 6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.665 -12.645 6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.500 -8.723 7.941 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.512 -10.571 8.683 1.00 0.00 H new ATOM 1255 N ALA A 85 3.160 -9.491 4.866 1.00 0.00 N ATOM 1256 CA ALA A 85 4.243 -10.505 4.876 1.00 0.00 C ATOM 1257 C ALA A 85 5.152 -10.162 6.054 1.00 0.00 C ATOM 1258 O ALA A 85 5.147 -10.833 7.067 1.00 0.00 O ATOM 1259 CB ALA A 85 5.041 -10.453 3.573 1.00 0.00 C ATOM 0 H ALA A 85 3.419 -8.593 4.458 1.00 0.00 H new ATOM 0 HA ALA A 85 3.830 -11.509 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.831 -11.204 3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.378 -10.654 2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.485 -9.464 3.457 1.00 0.00 H new ATOM 1265 N CYS A 86 5.889 -9.080 5.959 1.00 0.00 N ATOM 1266 CA CYS A 86 6.726 -8.674 7.106 1.00 0.00 C ATOM 1267 C CYS A 86 5.746 -8.342 8.220 1.00 0.00 C ATOM 1268 O CYS A 86 6.102 -8.144 9.365 1.00 0.00 O ATOM 1269 CB CYS A 86 7.550 -7.434 6.739 1.00 0.00 C ATOM 1270 SG CYS A 86 8.507 -7.760 5.238 1.00 0.00 S ATOM 0 H CYS A 86 5.940 -8.473 5.141 1.00 0.00 H new ATOM 0 HA CYS A 86 7.426 -9.456 7.400 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.890 -6.580 6.583 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.219 -7.174 7.559 1.00 0.00 H new ATOM 1275 N GLU A 87 4.493 -8.292 7.855 1.00 0.00 N ATOM 1276 CA GLU A 87 3.414 -7.989 8.827 1.00 0.00 C ATOM 1277 C GLU A 87 3.819 -6.784 9.679 1.00 0.00 C ATOM 1278 O GLU A 87 3.942 -6.862 10.887 1.00 0.00 O ATOM 1279 CB GLU A 87 3.169 -9.232 9.683 1.00 0.00 C ATOM 1280 CG GLU A 87 1.729 -9.724 9.496 1.00 0.00 C ATOM 1281 CD GLU A 87 0.768 -8.775 10.214 1.00 0.00 C ATOM 1282 OE1 GLU A 87 -0.079 -8.203 9.546 1.00 0.00 O ATOM 1283 OE2 GLU A 87 0.895 -8.636 11.420 1.00 0.00 O ATOM 0 H GLU A 87 4.170 -8.453 6.901 1.00 0.00 H new ATOM 0 HA GLU A 87 2.487 -7.733 8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.870 -10.019 9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.350 -9.002 10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.485 -9.772 8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.624 -10.734 9.893 1.00 0.00 H new ATOM 1290 N LYS A 88 4.016 -5.660 9.045 1.00 0.00 N ATOM 1291 CA LYS A 88 4.402 -4.429 9.789 1.00 0.00 C ATOM 1292 C LYS A 88 4.076 -3.208 8.928 1.00 0.00 C ATOM 1293 O LYS A 88 3.591 -3.333 7.824 1.00 0.00 O ATOM 1294 CB LYS A 88 5.900 -4.454 10.086 1.00 0.00 C ATOM 1295 CG LYS A 88 6.653 -4.882 8.827 1.00 0.00 C ATOM 1296 CD LYS A 88 8.152 -4.605 8.992 1.00 0.00 C ATOM 1297 CE LYS A 88 8.779 -5.623 9.958 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.406 -4.899 11.100 1.00 0.00 N ATOM 0 H LYS A 88 3.925 -5.542 8.036 1.00 0.00 H new ATOM 0 HA LYS A 88 3.852 -4.381 10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.236 -3.468 10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.110 -5.145 10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.490 -5.943 8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.268 -4.342 7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.648 -4.660 8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.303 -3.594 9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.017 -6.311 10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.527 -6.222 9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.831 -5.586 11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.144 -4.259 10.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.681 -4.346 11.600 1.00 0.00 H new ATOM 1312 N GLU A 89 4.339 -2.032 9.424 1.00 0.00 N ATOM 1313 CA GLU A 89 4.044 -0.795 8.639 1.00 0.00 C ATOM 1314 C GLU A 89 5.357 -0.197 8.133 1.00 0.00 C ATOM 1315 O GLU A 89 6.342 -0.170 8.845 1.00 0.00 O ATOM 1316 CB GLU A 89 3.328 0.215 9.551 1.00 0.00 C ATOM 1317 CG GLU A 89 2.027 0.689 8.894 1.00 0.00 C ATOM 1318 CD GLU A 89 1.078 1.226 9.969 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.561 1.594 11.027 1.00 0.00 O ATOM 1320 OE2 GLU A 89 -0.114 1.262 9.714 1.00 0.00 O ATOM 0 H GLU A 89 4.748 -1.871 10.344 1.00 0.00 H new ATOM 0 HA GLU A 89 3.406 -1.033 7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.111 -0.244 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.979 1.068 9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.240 1.467 8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.557 -0.135 8.358 1.00 0.00 H new ATOM 1327 N VAL A 90 5.396 0.279 6.912 1.00 0.00 N ATOM 1328 CA VAL A 90 6.675 0.860 6.405 1.00 0.00 C ATOM 1329 C VAL A 90 6.388 2.060 5.496 1.00 0.00 C ATOM 1330 O VAL A 90 5.406 2.109 4.794 1.00 0.00 O ATOM 1331 CB VAL A 90 7.463 -0.220 5.634 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.586 -0.771 6.520 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.524 -1.367 5.251 1.00 0.00 C ATOM 0 H VAL A 90 4.614 0.291 6.257 1.00 0.00 H new ATOM 0 HA VAL A 90 7.273 1.203 7.250 1.00 0.00 H new ATOM 0 HB VAL A 90 7.888 0.225 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.140 -1.533 5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.261 0.039 6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.157 -1.211 7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.083 -2.128 4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.098 -1.805 6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.722 -0.985 4.620 1.00 0.00 H new ATOM 1343 N PHE A 91 7.256 3.028 5.513 1.00 0.00 N ATOM 1344 CA PHE A 91 7.074 4.238 4.659 1.00 0.00 C ATOM 1345 C PHE A 91 8.013 4.143 3.471 1.00 0.00 C ATOM 1346 O PHE A 91 8.906 3.318 3.442 1.00 0.00 O ATOM 1347 CB PHE A 91 7.464 5.495 5.431 1.00 0.00 C ATOM 1348 CG PHE A 91 6.558 5.677 6.627 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.635 6.730 6.653 1.00 0.00 C ATOM 1350 CD2 PHE A 91 6.647 4.797 7.713 1.00 0.00 C ATOM 1351 CE1 PHE A 91 4.800 6.902 7.764 1.00 0.00 C ATOM 1352 CE2 PHE A 91 5.810 4.969 8.823 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.888 6.021 8.848 1.00 0.00 C ATOM 0 H PHE A 91 8.097 3.035 6.090 1.00 0.00 H new ATOM 0 HA PHE A 91 6.030 4.290 4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.501 5.422 5.759 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.397 6.366 4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.567 7.409 5.816 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.360 3.986 7.695 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.088 7.714 7.784 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.876 4.289 9.660 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.244 6.153 9.705 1.00 0.00 H new ATOM 1363 N LEU A 92 7.850 4.998 2.505 1.00 0.00 N ATOM 1364 CA LEU A 92 8.772 4.967 1.351 1.00 0.00 C ATOM 1365 C LEU A 92 10.195 4.901 1.902 1.00 0.00 C ATOM 1366 O LEU A 92 10.491 5.446 2.947 1.00 0.00 O ATOM 1367 CB LEU A 92 8.594 6.237 0.513 1.00 0.00 C ATOM 1368 CG LEU A 92 7.136 6.344 0.041 1.00 0.00 C ATOM 1369 CD1 LEU A 92 6.805 7.804 -0.278 1.00 0.00 C ATOM 1370 CD2 LEU A 92 6.938 5.495 -1.218 1.00 0.00 C ATOM 0 H LEU A 92 7.122 5.711 2.468 1.00 0.00 H new ATOM 0 HA LEU A 92 8.568 4.105 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.861 7.114 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.264 6.214 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 92 6.477 5.984 0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.770 7.878 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.941 8.412 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.467 8.164 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.903 5.573 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.600 5.853 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.170 4.454 -0.995 1.00 0.00 H new ATOM 1382 N GLU A 93 11.062 4.224 1.224 1.00 0.00 N ATOM 1383 CA GLU A 93 12.469 4.094 1.701 1.00 0.00 C ATOM 1384 C GLU A 93 13.045 5.469 2.065 1.00 0.00 C ATOM 1385 O GLU A 93 14.195 5.584 2.440 1.00 0.00 O ATOM 1386 CB GLU A 93 13.315 3.461 0.596 1.00 0.00 C ATOM 1387 CG GLU A 93 13.028 4.169 -0.731 1.00 0.00 C ATOM 1388 CD GLU A 93 13.619 3.352 -1.882 1.00 0.00 C ATOM 1389 OE1 GLU A 93 13.260 3.621 -3.017 1.00 0.00 O ATOM 1390 OE2 GLU A 93 14.419 2.472 -1.610 1.00 0.00 O ATOM 0 H GLU A 93 10.861 3.745 0.346 1.00 0.00 H new ATOM 0 HA GLU A 93 12.485 3.465 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.374 3.541 0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.087 2.399 0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.953 4.286 -0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.459 5.170 -0.722 1.00 0.00 H new ATOM 1397 N GLN A 94 12.262 6.511 1.964 1.00 0.00 N ATOM 1398 CA GLN A 94 12.770 7.872 2.311 1.00 0.00 C ATOM 1399 C GLN A 94 13.945 8.247 1.401 1.00 0.00 C ATOM 1400 O GLN A 94 14.279 9.407 1.257 1.00 0.00 O ATOM 1401 CB GLN A 94 13.232 7.890 3.769 1.00 0.00 C ATOM 1402 CG GLN A 94 12.219 7.144 4.638 1.00 0.00 C ATOM 1403 CD GLN A 94 12.482 7.454 6.113 1.00 0.00 C ATOM 1404 OE1 GLN A 94 11.753 7.014 6.978 1.00 0.00 O ATOM 1405 NE2 GLN A 94 13.503 8.200 6.437 1.00 0.00 N ATOM 0 H GLN A 94 11.290 6.478 1.655 1.00 0.00 H new ATOM 0 HA GLN A 94 11.966 8.595 2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.213 7.424 3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.336 8.918 4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.205 7.441 4.369 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.294 6.071 4.462 1.00 0.00 H new ATOM 0 HE21 GLN A 94 14.116 8.570 5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.688 8.413 7.417 1.00 0.00 H new ATOM 1414 N ARG A 95 14.578 7.284 0.785 1.00 0.00 N ATOM 1415 CA ARG A 95 15.729 7.607 -0.108 1.00 0.00 C ATOM 1416 C ARG A 95 15.332 8.750 -1.041 1.00 0.00 C ATOM 1417 O ARG A 95 16.147 9.560 -1.436 1.00 0.00 O ATOM 1418 CB ARG A 95 16.115 6.353 -0.915 1.00 0.00 C ATOM 1419 CG ARG A 95 15.378 6.313 -2.267 1.00 0.00 C ATOM 1420 CD ARG A 95 16.121 7.166 -3.308 1.00 0.00 C ATOM 1421 NE ARG A 95 16.827 6.270 -4.265 1.00 0.00 N ATOM 1422 CZ ARG A 95 17.221 6.731 -5.421 1.00 0.00 C ATOM 1423 NH1 ARG A 95 17.845 5.947 -6.258 1.00 0.00 N ATOM 1424 NH2 ARG A 95 16.989 7.974 -5.741 1.00 0.00 N ATOM 0 H ARG A 95 14.349 6.293 0.861 1.00 0.00 H new ATOM 0 HA ARG A 95 16.590 7.919 0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 95 17.192 6.343 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.875 5.459 -0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.303 5.284 -2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.360 6.683 -2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.417 7.804 -3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.836 7.824 -2.813 1.00 0.00 H new ATOM 0 HE ARG A 95 17.003 5.296 -4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 95 18.025 4.974 -6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 95 18.153 6.307 -7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 95 16.500 8.586 -5.088 1.00 0.00 H new ATOM 0 HH22 ARG A 95 17.297 8.334 -6.644 1.00 0.00 H new ATOM 1438 N LEU A 96 14.078 8.819 -1.392 1.00 0.00 N ATOM 1439 CA LEU A 96 13.608 9.906 -2.299 1.00 0.00 C ATOM 1440 C LEU A 96 12.962 11.017 -1.472 1.00 0.00 C ATOM 1441 O LEU A 96 12.822 10.910 -0.270 1.00 0.00 O ATOM 1442 CB LEU A 96 12.587 9.343 -3.296 1.00 0.00 C ATOM 1443 CG LEU A 96 11.458 8.603 -2.551 1.00 0.00 C ATOM 1444 CD1 LEU A 96 10.244 9.524 -2.393 1.00 0.00 C ATOM 1445 CD2 LEU A 96 11.043 7.365 -3.352 1.00 0.00 C ATOM 0 H LEU A 96 13.355 8.167 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 96 14.458 10.311 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.167 10.153 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.082 8.661 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 96 11.819 8.305 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.451 8.994 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.530 10.408 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.886 9.826 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.245 6.842 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.689 7.671 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.900 6.701 -3.465 1.00 0.00 H new ATOM 1457 N ALA A 97 12.569 12.085 -2.109 1.00 0.00 N ATOM 1458 CA ALA A 97 11.933 13.207 -1.363 1.00 0.00 C ATOM 1459 C ALA A 97 11.037 14.007 -2.311 1.00 0.00 C ATOM 1460 O ALA A 97 11.503 14.819 -3.084 1.00 0.00 O ATOM 1461 CB ALA A 97 13.019 14.122 -0.794 1.00 0.00 C ATOM 0 H ALA A 97 12.661 12.229 -3.115 1.00 0.00 H new ATOM 0 HA ALA A 97 11.332 12.806 -0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.554 14.943 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.657 13.553 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.621 14.523 -1.609 1.00 0.00 H new ATOM 1467 N ALA A 98 9.752 13.783 -2.258 1.00 0.00 N ATOM 1468 CA ALA A 98 8.828 14.530 -3.157 1.00 0.00 C ATOM 1469 C ALA A 98 7.424 14.547 -2.548 1.00 0.00 C ATOM 1470 O ALA A 98 6.475 14.075 -3.143 1.00 0.00 O ATOM 1471 CB ALA A 98 8.782 13.843 -4.524 1.00 0.00 C ATOM 0 H ALA A 98 9.303 13.115 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 98 9.185 15.553 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.106 14.388 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.781 13.831 -4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.425 12.820 -4.405 1.00 0.00 H new ATOM 1477 N PRO A 99 7.296 15.088 -1.366 1.00 0.00 N ATOM 1478 CA PRO A 99 5.986 15.173 -0.656 1.00 0.00 C ATOM 1479 C PRO A 99 5.050 16.206 -1.293 1.00 0.00 C ATOM 1480 O PRO A 99 3.899 15.871 -1.522 1.00 0.00 O ATOM 1481 CB PRO A 99 6.371 15.597 0.766 1.00 0.00 C ATOM 1482 CG PRO A 99 7.674 16.313 0.622 1.00 0.00 C ATOM 1483 CD PRO A 99 8.387 15.681 -0.576 1.00 0.00 C ATOM 1484 OXT PRO A 99 5.502 17.311 -1.542 1.00 0.00 O ATOM 0 HA PRO A 99 5.440 14.231 -0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.612 16.246 1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.467 14.732 1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.515 17.379 0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.273 16.214 1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 99 8.938 16.425 -1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.107 14.926 -0.260 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 7.652 -7.131 3.178 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -12.957 -3.244 0.001 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -3.008 -6.788 -4.854 1.00 0.00 ZN