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= -7.74! C(o=-13!,f=-20!) USER MOD Set 1.2: A 77 THR OG1 : rot 87:sc= -5.28! USER MOD Set 2.1: A 39 ASN : amide:sc= -0.856 K(o=-1.9,f=-1) USER MOD Set 2.2: A 56 SER OG : rot -140:sc= -1.04 USER MOD Set 3.1: A 31 GLN : amide:sc= -4.83! C(o=-5.4!,f=-6.9!) USER MOD Set 3.2: A 32 SER OG : rot 8:sc= -0.53! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.175! (180deg=-2.23!) USER MOD Single : A 4 SER OG : rot 167:sc= 0.0105 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= -3.08! (180deg=-4.45!) USER MOD Single : A 26 SER OG : rot -48:sc= -0.62 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 36 THR OG1 : rot -97:sc= -0.765! USER MOD Single : A 45 GLN : amide:sc= -2.41! X(o=-2.4!,f=-2.4) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0024 USER MOD Single : A 62 THR OG1 : rot -86:sc= 0.707 USER MOD Single : A 66 GLN : amide:sc= -0.0755 X(o=-0.075,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 148:sc= -1.74 (180deg=-4.01!) USER MOD Single : A 69 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.624) USER MOD Single : A 71 ASN : amide:sc= -6.55! C(o=-6.6!,f=-5.4!) USER MOD Single : A 73 THR OG1 : rot -130:sc= -0.0383 USER MOD Single : A 78 THR OG1 : rot -110:sc= 0.286 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -123:sc= -0.794 (180deg=-2.8!) USER MOD Single : A 94 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.024 -1.479 -4.535 1.00 0.00 N ATOM 2 CA MET A 1 19.217 -2.316 -3.318 1.00 0.00 C ATOM 3 C MET A 1 18.166 -1.943 -2.271 1.00 0.00 C ATOM 4 O MET A 1 17.315 -1.106 -2.502 1.00 0.00 O ATOM 5 CB MET A 1 20.617 -2.072 -2.747 1.00 0.00 C ATOM 6 CG MET A 1 20.928 -0.574 -2.766 1.00 0.00 C ATOM 7 SD MET A 1 21.382 -0.072 -4.445 1.00 0.00 S ATOM 8 CE MET A 1 22.639 1.147 -3.991 1.00 0.00 C ATOM 0 H1 MET A 1 19.951 -1.193 -4.910 1.00 0.00 H new ATOM 0 H2 MET A 1 18.513 -2.027 -5.256 1.00 0.00 H new ATOM 0 H3 MET A 1 18.473 -0.632 -4.290 1.00 0.00 H new ATOM 0 HA MET A 1 19.111 -3.369 -3.580 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.676 -2.452 -1.727 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.359 -2.615 -3.333 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.060 -0.007 -2.428 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.742 -0.352 -2.076 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.059 1.590 -4.894 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.185 1.928 -3.381 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.431 0.659 -3.424 1.00 0.00 H new ATOM 18 N GLY A 2 18.217 -2.558 -1.121 1.00 0.00 N ATOM 19 CA GLY A 2 17.221 -2.240 -0.058 1.00 0.00 C ATOM 20 C GLY A 2 17.741 -1.088 0.804 1.00 0.00 C ATOM 21 O GLY A 2 17.239 0.018 0.747 1.00 0.00 O ATOM 0 H GLY A 2 18.906 -3.268 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 2 16.267 -1.968 -0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 2 17.042 -3.119 0.561 1.00 0.00 H new ATOM 25 N ASP A 3 18.744 -1.336 1.602 1.00 0.00 N ATOM 26 CA ASP A 3 19.295 -0.254 2.467 1.00 0.00 C ATOM 27 C ASP A 3 18.158 0.386 3.268 1.00 0.00 C ATOM 28 O ASP A 3 17.005 0.041 3.107 1.00 0.00 O ATOM 29 CB ASP A 3 19.963 0.808 1.592 1.00 0.00 C ATOM 30 CG ASP A 3 20.606 1.873 2.482 1.00 0.00 C ATOM 31 OD1 ASP A 3 20.518 3.040 2.134 1.00 0.00 O ATOM 32 OD2 ASP A 3 21.175 1.505 3.496 1.00 0.00 O ATOM 0 H ASP A 3 19.206 -2.241 1.692 1.00 0.00 H new ATOM 0 HA ASP A 3 20.031 -0.675 3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 3 20.718 0.347 0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 3 19.226 1.267 0.932 1.00 0.00 H new ATOM 37 N SER A 4 18.473 1.312 4.132 1.00 0.00 N ATOM 38 CA SER A 4 17.409 1.967 4.942 1.00 0.00 C ATOM 39 C SER A 4 16.653 0.907 5.743 1.00 0.00 C ATOM 40 O SER A 4 16.721 -0.269 5.452 1.00 0.00 O ATOM 41 CB SER A 4 16.439 2.703 4.017 1.00 0.00 C ATOM 42 OG SER A 4 15.653 3.605 4.783 1.00 0.00 O ATOM 0 H SER A 4 19.421 1.643 4.311 1.00 0.00 H new ATOM 0 HA SER A 4 17.864 2.682 5.628 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.991 3.245 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.796 1.989 3.503 1.00 0.00 H new ATOM 0 HG SER A 4 15.182 4.220 4.182 1.00 0.00 H new ATOM 48 N ARG A 5 15.935 1.316 6.753 1.00 0.00 N ATOM 49 CA ARG A 5 15.168 0.338 7.581 1.00 0.00 C ATOM 50 C ARG A 5 13.701 0.359 7.147 1.00 0.00 C ATOM 51 O ARG A 5 13.081 -0.669 6.960 1.00 0.00 O ATOM 52 CB ARG A 5 15.278 0.722 9.066 1.00 0.00 C ATOM 53 CG ARG A 5 15.833 2.144 9.194 1.00 0.00 C ATOM 54 CD ARG A 5 15.635 2.649 10.626 1.00 0.00 C ATOM 55 NE ARG A 5 16.505 1.868 11.555 1.00 0.00 N ATOM 56 CZ ARG A 5 16.048 0.795 12.144 1.00 0.00 C ATOM 57 NH1 ARG A 5 16.818 0.122 12.957 1.00 0.00 N ATOM 58 NH2 ARG A 5 14.827 0.390 11.922 1.00 0.00 N ATOM 0 H ARG A 5 15.845 2.290 7.043 1.00 0.00 H new ATOM 0 HA ARG A 5 15.576 -0.663 7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.299 0.660 9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.929 0.019 9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.892 2.156 8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.327 2.807 8.491 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.881 3.709 10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.590 2.547 10.918 1.00 0.00 H new ATOM 0 HE ARG A 5 17.462 2.174 11.731 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.773 0.435 13.131 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.464 -0.716 13.418 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.224 0.912 11.286 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.476 -0.448 12.385 1.00 0.00 H new ATOM 72 N ASP A 6 13.144 1.527 6.981 1.00 0.00 N ATOM 73 CA ASP A 6 11.720 1.627 6.554 1.00 0.00 C ATOM 74 C ASP A 6 11.483 0.704 5.355 1.00 0.00 C ATOM 75 O ASP A 6 10.402 0.184 5.161 1.00 0.00 O ATOM 76 CB ASP A 6 11.423 3.079 6.153 1.00 0.00 C ATOM 77 CG ASP A 6 10.196 3.591 6.914 1.00 0.00 C ATOM 78 OD1 ASP A 6 9.289 2.806 7.133 1.00 0.00 O ATOM 79 OD2 ASP A 6 10.187 4.760 7.267 1.00 0.00 O ATOM 0 H ASP A 6 13.616 2.420 7.123 1.00 0.00 H new ATOM 0 HA ASP A 6 11.064 1.329 7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.285 3.709 6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.247 3.140 5.079 1.00 0.00 H new ATOM 84 N LEU A 7 12.483 0.507 4.544 1.00 0.00 N ATOM 85 CA LEU A 7 12.315 -0.370 3.352 1.00 0.00 C ATOM 86 C LEU A 7 11.923 -1.786 3.803 1.00 0.00 C ATOM 87 O LEU A 7 12.181 -2.184 4.921 1.00 0.00 O ATOM 88 CB LEU A 7 13.631 -0.359 2.530 1.00 0.00 C ATOM 89 CG LEU A 7 14.477 -1.637 2.728 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.679 -1.943 4.221 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.814 -2.836 2.023 1.00 0.00 C ATOM 0 H LEU A 7 13.411 0.916 4.655 1.00 0.00 H new ATOM 0 HA LEU A 7 11.514 -0.001 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.391 -0.249 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.224 0.510 2.815 1.00 0.00 H new ATOM 0 HG LEU A 7 15.456 -1.463 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.278 -2.847 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.193 -1.108 4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.709 -2.091 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.423 -3.728 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.821 -3.000 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.729 -2.629 0.956 1.00 0.00 H new ATOM 103 N CYS A 8 11.290 -2.542 2.939 1.00 0.00 N ATOM 104 CA CYS A 8 10.872 -3.934 3.303 1.00 0.00 C ATOM 105 C CYS A 8 11.381 -4.897 2.223 1.00 0.00 C ATOM 106 O CYS A 8 11.672 -4.499 1.114 1.00 0.00 O ATOM 107 CB CYS A 8 9.333 -4.015 3.415 1.00 0.00 C ATOM 108 SG CYS A 8 8.684 -5.285 2.281 1.00 0.00 S ATOM 0 H CYS A 8 11.043 -2.254 1.992 1.00 0.00 H new ATOM 0 HA CYS A 8 11.297 -4.209 4.268 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.048 -4.253 4.440 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.893 -3.047 3.178 1.00 0.00 H new ATOM 113 N PRO A 9 11.494 -6.155 2.546 1.00 0.00 N ATOM 114 CA PRO A 9 11.983 -7.202 1.593 1.00 0.00 C ATOM 115 C PRO A 9 11.156 -7.225 0.306 1.00 0.00 C ATOM 116 O PRO A 9 11.670 -7.083 -0.786 1.00 0.00 O ATOM 117 CB PRO A 9 11.792 -8.516 2.372 1.00 0.00 C ATOM 118 CG PRO A 9 10.836 -8.176 3.464 1.00 0.00 C ATOM 119 CD PRO A 9 11.158 -6.739 3.845 1.00 0.00 C ATOM 0 HA PRO A 9 13.012 -7.026 1.280 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.395 -9.302 1.730 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.738 -8.879 2.773 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.804 -8.272 3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.957 -8.845 4.316 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.309 -6.239 4.311 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.989 -6.678 4.548 1.00 0.00 H new ATOM 127 N HIS A 10 9.874 -7.402 0.441 1.00 0.00 N ATOM 128 CA HIS A 10 8.984 -7.437 -0.759 1.00 0.00 C ATOM 129 C HIS A 10 8.797 -6.015 -1.282 1.00 0.00 C ATOM 130 O HIS A 10 8.109 -5.782 -2.254 1.00 0.00 O ATOM 131 CB HIS A 10 7.620 -8.039 -0.378 1.00 0.00 C ATOM 132 CG HIS A 10 7.819 -9.098 0.668 1.00 0.00 C ATOM 133 ND1 HIS A 10 7.906 -8.805 2.027 1.00 0.00 N ATOM 134 CD2 HIS A 10 7.951 -10.461 0.565 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.084 -9.976 2.672 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.118 -11.007 1.829 1.00 0.00 N ATOM 0 H HIS A 10 9.398 -7.525 1.334 1.00 0.00 H new ATOM 0 HA HIS A 10 9.437 -8.055 -1.535 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.958 -7.259 -0.001 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.140 -8.467 -1.258 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.928 -11.021 -0.358 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.187 -10.067 3.743 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.241 -11.992 2.064 1.00 0.00 H new ATOM 144 N LEU A 11 9.409 -5.063 -0.638 1.00 0.00 N ATOM 145 CA LEU A 11 9.276 -3.651 -1.084 1.00 0.00 C ATOM 146 C LEU A 11 10.056 -3.446 -2.384 1.00 0.00 C ATOM 147 O LEU A 11 9.756 -2.569 -3.168 1.00 0.00 O ATOM 148 CB LEU A 11 9.828 -2.737 0.013 1.00 0.00 C ATOM 149 CG LEU A 11 9.351 -1.288 -0.201 1.00 0.00 C ATOM 150 CD1 LEU A 11 9.036 -0.640 1.153 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.449 -0.484 -0.907 1.00 0.00 C ATOM 0 H LEU A 11 9.999 -5.203 0.182 1.00 0.00 H new ATOM 0 HA LEU A 11 8.228 -3.412 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.501 -3.093 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.917 -2.772 0.009 1.00 0.00 H new ATOM 0 HG LEU A 11 8.451 -1.295 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.699 0.385 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.252 -1.207 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.933 -0.636 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.110 0.541 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.350 -0.482 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.669 -0.939 -1.873 1.00 0.00 H new ATOM 163 N ASP A 12 11.052 -4.254 -2.620 1.00 0.00 N ATOM 164 CA ASP A 12 11.848 -4.114 -3.872 1.00 0.00 C ATOM 165 C ASP A 12 11.195 -4.937 -4.984 1.00 0.00 C ATOM 166 O ASP A 12 11.415 -4.703 -6.157 1.00 0.00 O ATOM 167 CB ASP A 12 13.267 -4.630 -3.628 1.00 0.00 C ATOM 168 CG ASP A 12 14.062 -4.577 -4.934 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.416 -5.633 -5.431 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.304 -3.482 -5.414 1.00 0.00 O ATOM 0 H ASP A 12 11.350 -5.006 -1.999 1.00 0.00 H new ATOM 0 HA ASP A 12 11.884 -3.065 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.759 -4.026 -2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.234 -5.652 -3.252 1.00 0.00 H new ATOM 175 N SER A 13 10.401 -5.907 -4.624 1.00 0.00 N ATOM 176 CA SER A 13 9.741 -6.760 -5.655 1.00 0.00 C ATOM 177 C SER A 13 8.506 -6.047 -6.217 1.00 0.00 C ATOM 178 O SER A 13 8.069 -6.326 -7.317 1.00 0.00 O ATOM 179 CB SER A 13 9.316 -8.082 -5.016 1.00 0.00 C ATOM 180 OG SER A 13 8.978 -9.011 -6.038 1.00 0.00 O ATOM 0 H SER A 13 10.179 -6.147 -3.658 1.00 0.00 H new ATOM 0 HA SER A 13 10.443 -6.948 -6.467 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.124 -8.478 -4.401 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.463 -7.923 -4.357 1.00 0.00 H new ATOM 0 HG SER A 13 8.707 -9.860 -5.631 1.00 0.00 H new ATOM 186 N ILE A 14 7.935 -5.140 -5.475 1.00 0.00 N ATOM 187 CA ILE A 14 6.724 -4.424 -5.972 1.00 0.00 C ATOM 188 C ILE A 14 7.138 -3.262 -6.883 1.00 0.00 C ATOM 189 O ILE A 14 6.325 -2.687 -7.577 1.00 0.00 O ATOM 190 CB ILE A 14 5.952 -3.870 -4.782 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.906 -3.076 -3.887 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.347 -5.028 -3.980 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.105 -2.114 -3.007 1.00 0.00 C ATOM 0 H ILE A 14 8.253 -4.863 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 14 6.102 -5.119 -6.536 1.00 0.00 H new ATOM 0 HB ILE A 14 5.153 -3.218 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.487 -3.756 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.616 -2.519 -4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.795 -4.631 -3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.671 -5.598 -4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.145 -5.679 -3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.787 -1.550 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.544 -1.425 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.413 -2.681 -2.384 1.00 0.00 H new ATOM 205 N GLY A 15 8.394 -2.905 -6.882 1.00 0.00 N ATOM 206 CA GLY A 15 8.848 -1.776 -7.746 1.00 0.00 C ATOM 207 C GLY A 15 8.065 -0.508 -7.392 1.00 0.00 C ATOM 208 O GLY A 15 7.651 -0.319 -6.265 1.00 0.00 O ATOM 0 H GLY A 15 9.124 -3.345 -6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.916 -1.606 -7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.698 -2.026 -8.796 1.00 0.00 H new ATOM 212 N GLU A 16 7.860 0.364 -8.348 1.00 0.00 N ATOM 213 CA GLU A 16 7.103 1.624 -8.073 1.00 0.00 C ATOM 214 C GLU A 16 5.987 1.784 -9.108 1.00 0.00 C ATOM 215 O GLU A 16 6.220 2.205 -10.225 1.00 0.00 O ATOM 216 CB GLU A 16 8.058 2.824 -8.161 1.00 0.00 C ATOM 217 CG GLU A 16 7.274 4.147 -8.087 1.00 0.00 C ATOM 218 CD GLU A 16 6.188 4.054 -7.011 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.540 3.891 -5.855 1.00 0.00 O ATOM 220 OE2 GLU A 16 5.024 4.147 -7.364 1.00 0.00 O ATOM 0 H GLU A 16 8.185 0.257 -9.309 1.00 0.00 H new ATOM 0 HA GLU A 16 6.669 1.577 -7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.783 2.779 -7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.621 2.780 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.953 4.969 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.821 4.365 -9.054 1.00 0.00 H new ATOM 227 N VAL A 17 4.777 1.456 -8.747 1.00 0.00 N ATOM 228 CA VAL A 17 3.650 1.596 -9.710 1.00 0.00 C ATOM 229 C VAL A 17 3.483 3.073 -10.066 1.00 0.00 C ATOM 230 O VAL A 17 4.299 3.898 -9.709 1.00 0.00 O ATOM 231 CB VAL A 17 2.361 1.074 -9.071 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.385 -0.455 -9.049 1.00 0.00 C ATOM 233 CG2 VAL A 17 2.255 1.602 -7.638 1.00 0.00 C ATOM 0 H VAL A 17 4.521 1.097 -7.827 1.00 0.00 H new ATOM 0 HA VAL A 17 3.861 1.020 -10.611 1.00 0.00 H new ATOM 0 HB VAL A 17 1.503 1.415 -9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.467 -0.827 -8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.463 -0.832 -10.069 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.242 -0.797 -8.469 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.338 1.232 -7.181 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.113 1.259 -7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.239 2.692 -7.652 1.00 0.00 H new ATOM 243 N THR A 18 2.436 3.421 -10.762 1.00 0.00 N ATOM 244 CA THR A 18 2.242 4.851 -11.122 1.00 0.00 C ATOM 245 C THR A 18 1.973 5.646 -9.848 1.00 0.00 C ATOM 246 O THR A 18 1.130 5.295 -9.050 1.00 0.00 O ATOM 247 CB THR A 18 1.049 4.978 -12.084 1.00 0.00 C ATOM 248 OG1 THR A 18 0.395 3.720 -12.187 1.00 0.00 O ATOM 249 CG2 THR A 18 1.539 5.408 -13.469 1.00 0.00 C ATOM 0 H THR A 18 1.713 2.783 -11.094 1.00 0.00 H new ATOM 0 HA THR A 18 3.134 5.240 -11.612 1.00 0.00 H new ATOM 0 HB THR A 18 0.356 5.727 -11.701 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.367 3.797 -12.798 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.688 5.496 -14.145 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.043 6.371 -13.394 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.235 4.663 -13.856 1.00 0.00 H new ATOM 257 N LYS A 19 2.671 6.727 -9.661 1.00 0.00 N ATOM 258 CA LYS A 19 2.435 7.555 -8.450 1.00 0.00 C ATOM 259 C LYS A 19 0.972 7.974 -8.464 1.00 0.00 C ATOM 260 O LYS A 19 0.217 7.674 -7.560 1.00 0.00 O ATOM 261 CB LYS A 19 3.339 8.791 -8.484 1.00 0.00 C ATOM 262 CG LYS A 19 3.520 9.277 -9.934 1.00 0.00 C ATOM 263 CD LYS A 19 5.017 9.430 -10.246 1.00 0.00 C ATOM 264 CE LYS A 19 5.684 8.045 -10.335 1.00 0.00 C ATOM 265 NZ LYS A 19 6.256 7.861 -11.699 1.00 0.00 N ATOM 0 H LYS A 19 3.393 7.073 -10.293 1.00 0.00 H new ATOM 0 HA LYS A 19 2.662 6.993 -7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.904 9.586 -7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.309 8.553 -8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.065 8.567 -10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.010 10.230 -10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.147 9.966 -11.186 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.499 10.025 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.469 7.958 -9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.954 7.263 -10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.708 6.926 -11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.496 7.928 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.964 8.601 -11.881 1.00 0.00 H new ATOM 279 N GLU A 20 0.563 8.641 -9.509 1.00 0.00 N ATOM 280 CA GLU A 20 -0.853 9.056 -9.628 1.00 0.00 C ATOM 281 C GLU A 20 -1.731 7.890 -9.187 1.00 0.00 C ATOM 282 O GLU A 20 -2.715 8.061 -8.503 1.00 0.00 O ATOM 283 CB GLU A 20 -1.149 9.421 -11.079 1.00 0.00 C ATOM 284 CG GLU A 20 -2.661 9.459 -11.322 1.00 0.00 C ATOM 285 CD GLU A 20 -2.933 9.651 -12.816 1.00 0.00 C ATOM 286 OE1 GLU A 20 -2.467 10.637 -13.361 1.00 0.00 O ATOM 287 OE2 GLU A 20 -3.603 8.807 -13.389 1.00 0.00 O ATOM 0 H GLU A 20 1.159 8.916 -10.290 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.054 9.925 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.712 10.392 -11.313 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.685 8.694 -11.746 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.119 8.533 -10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.111 10.272 -10.752 1.00 0.00 H new ATOM 294 N ASP A 21 -1.367 6.695 -9.557 1.00 0.00 N ATOM 295 CA ASP A 21 -2.176 5.522 -9.130 1.00 0.00 C ATOM 296 C ASP A 21 -2.404 5.637 -7.626 1.00 0.00 C ATOM 297 O ASP A 21 -3.489 5.426 -7.127 1.00 0.00 O ATOM 298 CB ASP A 21 -1.429 4.222 -9.451 1.00 0.00 C ATOM 299 CG ASP A 21 -2.425 3.061 -9.517 1.00 0.00 C ATOM 300 OD1 ASP A 21 -3.548 3.245 -9.078 1.00 0.00 O ATOM 301 OD2 ASP A 21 -2.047 2.010 -10.008 1.00 0.00 O ATOM 0 H ASP A 21 -0.552 6.481 -10.131 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.129 5.505 -9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.903 4.318 -10.401 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.676 4.025 -8.688 1.00 0.00 H new ATOM 306 N LEU A 22 -1.383 6.008 -6.906 1.00 0.00 N ATOM 307 CA LEU A 22 -1.530 6.178 -5.436 1.00 0.00 C ATOM 308 C LEU A 22 -2.377 7.417 -5.184 1.00 0.00 C ATOM 309 O LEU A 22 -2.972 7.585 -4.139 1.00 0.00 O ATOM 310 CB LEU A 22 -0.150 6.344 -4.795 1.00 0.00 C ATOM 311 CG LEU A 22 0.845 5.399 -5.471 1.00 0.00 C ATOM 312 CD1 LEU A 22 2.180 5.444 -4.725 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.295 3.970 -5.444 1.00 0.00 C ATOM 0 H LEU A 22 -0.451 6.201 -7.274 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.011 5.303 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.187 7.376 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.205 6.128 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 22 0.995 5.711 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.889 4.771 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.574 6.460 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.030 5.133 -3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.005 3.298 -5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.144 3.658 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.656 3.936 -5.976 1.00 0.00 H new ATOM 325 N LEU A 23 -2.434 8.282 -6.152 1.00 0.00 N ATOM 326 CA LEU A 23 -3.237 9.519 -6.014 1.00 0.00 C ATOM 327 C LEU A 23 -4.708 9.190 -6.279 1.00 0.00 C ATOM 328 O LEU A 23 -5.558 9.457 -5.453 1.00 0.00 O ATOM 329 CB LEU A 23 -2.700 10.548 -7.017 1.00 0.00 C ATOM 330 CG LEU A 23 -1.191 10.751 -6.776 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.688 11.935 -7.617 1.00 0.00 C ATOM 332 CD2 LEU A 23 -0.931 11.042 -5.291 1.00 0.00 C ATOM 0 H LEU A 23 -1.951 8.181 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.162 9.933 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.875 10.205 -8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.229 11.494 -6.904 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.662 9.843 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.379 12.076 -7.445 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.861 11.730 -8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.225 12.839 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.138 11.184 -5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.465 11.946 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.280 10.203 -4.689 1.00 0.00 H new ATOM 344 N LEU A 24 -5.034 8.581 -7.394 1.00 0.00 N ATOM 345 CA LEU A 24 -6.461 8.231 -7.613 1.00 0.00 C ATOM 346 C LEU A 24 -6.860 7.250 -6.528 1.00 0.00 C ATOM 347 O LEU A 24 -7.903 7.376 -5.943 1.00 0.00 O ATOM 348 CB LEU A 24 -6.697 7.607 -8.993 1.00 0.00 C ATOM 349 CG LEU A 24 -5.926 6.286 -9.150 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.847 5.098 -8.845 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.433 6.161 -10.595 1.00 0.00 C ATOM 0 H LEU A 24 -4.389 8.319 -8.140 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.063 9.138 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.763 7.427 -9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.385 8.307 -9.769 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.085 6.283 -8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.291 4.168 -8.959 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.216 5.177 -7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.690 5.104 -9.536 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.885 5.226 -10.713 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.287 6.169 -11.273 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.776 6.999 -10.829 1.00 0.00 H new ATOM 363 N LYS A 25 -6.024 6.288 -6.226 1.00 0.00 N ATOM 364 CA LYS A 25 -6.378 5.334 -5.142 1.00 0.00 C ATOM 365 C LYS A 25 -6.840 6.162 -3.943 1.00 0.00 C ATOM 366 O LYS A 25 -7.843 5.879 -3.318 1.00 0.00 O ATOM 367 CB LYS A 25 -5.149 4.493 -4.779 1.00 0.00 C ATOM 368 CG LYS A 25 -4.958 3.389 -5.832 1.00 0.00 C ATOM 369 CD LYS A 25 -3.531 2.832 -5.763 1.00 0.00 C ATOM 370 CE LYS A 25 -3.457 1.514 -6.542 1.00 0.00 C ATOM 371 NZ LYS A 25 -4.457 1.531 -7.646 1.00 0.00 N ATOM 0 H LYS A 25 -5.124 6.126 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.169 4.653 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.262 5.125 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.276 4.051 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.677 2.588 -5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.153 3.788 -6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.828 3.553 -6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.243 2.669 -4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.455 1.375 -6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.651 0.674 -5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.253 0.758 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.411 1.406 -7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.406 2.441 -8.147 1.00 0.00 H new ATOM 385 N SER A 26 -6.125 7.216 -3.652 1.00 0.00 N ATOM 386 CA SER A 26 -6.510 8.118 -2.536 1.00 0.00 C ATOM 387 C SER A 26 -7.797 8.855 -2.930 1.00 0.00 C ATOM 388 O SER A 26 -8.190 9.816 -2.300 1.00 0.00 O ATOM 389 CB SER A 26 -5.389 9.145 -2.318 1.00 0.00 C ATOM 390 OG SER A 26 -5.473 9.663 -0.997 1.00 0.00 O ATOM 0 H SER A 26 -5.278 7.491 -4.150 1.00 0.00 H new ATOM 0 HA SER A 26 -6.669 7.546 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.417 8.678 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.476 9.954 -3.044 1.00 0.00 H new ATOM 0 HG SER A 26 -6.399 9.921 -0.805 1.00 0.00 H new ATOM 396 N LYS A 27 -8.433 8.434 -3.996 1.00 0.00 N ATOM 397 CA LYS A 27 -9.664 9.138 -4.455 1.00 0.00 C ATOM 398 C LYS A 27 -10.625 9.360 -3.283 1.00 0.00 C ATOM 399 O LYS A 27 -11.085 10.464 -3.069 1.00 0.00 O ATOM 400 CB LYS A 27 -10.364 8.344 -5.571 1.00 0.00 C ATOM 401 CG LYS A 27 -10.280 6.830 -5.310 1.00 0.00 C ATOM 402 CD LYS A 27 -11.584 6.159 -5.746 1.00 0.00 C ATOM 403 CE LYS A 27 -11.739 6.306 -7.261 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.991 5.629 -7.703 1.00 0.00 N ATOM 0 H LYS A 27 -8.152 7.635 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.369 10.108 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.409 8.647 -5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.903 8.577 -6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.439 6.403 -5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.100 6.643 -4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.576 5.105 -5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.431 6.616 -5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.768 7.361 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.879 5.870 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.095 5.730 -8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.945 4.620 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.807 6.065 -7.228 1.00 0.00 H new ATOM 418 N GLY A 28 -10.930 8.349 -2.506 1.00 0.00 N ATOM 419 CA GLY A 28 -11.848 8.581 -1.360 1.00 0.00 C ATOM 420 C GLY A 28 -12.754 7.380 -1.134 1.00 0.00 C ATOM 421 O GLY A 28 -13.666 7.441 -0.338 1.00 0.00 O ATOM 0 H GLY A 28 -10.589 7.394 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.267 8.778 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.454 9.467 -1.549 1.00 0.00 H new ATOM 425 N THR A 29 -12.545 6.293 -1.818 1.00 0.00 N ATOM 426 CA THR A 29 -13.445 5.132 -1.591 1.00 0.00 C ATOM 427 C THR A 29 -12.805 3.819 -2.071 1.00 0.00 C ATOM 428 O THR A 29 -12.055 3.787 -3.026 1.00 0.00 O ATOM 429 CB THR A 29 -14.749 5.378 -2.353 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.596 6.519 -3.186 1.00 0.00 O ATOM 431 CG2 THR A 29 -15.903 5.616 -1.372 1.00 0.00 C ATOM 0 H THR A 29 -11.807 6.158 -2.510 1.00 0.00 H new ATOM 0 HA THR A 29 -13.633 5.034 -0.522 1.00 0.00 H new ATOM 0 HB THR A 29 -14.977 4.501 -2.959 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.429 6.679 -3.677 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.824 5.790 -1.929 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.024 4.741 -0.734 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.682 6.487 -0.755 1.00 0.00 H new ATOM 439 N CYS A 30 -13.146 2.729 -1.428 1.00 0.00 N ATOM 440 CA CYS A 30 -12.621 1.394 -1.850 1.00 0.00 C ATOM 441 C CYS A 30 -13.119 1.128 -3.271 1.00 0.00 C ATOM 442 O CYS A 30 -14.216 1.512 -3.624 1.00 0.00 O ATOM 443 CB CYS A 30 -13.165 0.306 -0.909 1.00 0.00 C ATOM 444 SG CYS A 30 -12.494 -1.310 -1.393 1.00 0.00 S ATOM 0 H CYS A 30 -13.771 2.708 -0.622 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.532 1.382 -1.813 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.890 0.531 0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.254 0.286 -0.951 1.00 0.00 H new ATOM 449 N GLN A 31 -12.338 0.493 -4.099 1.00 0.00 N ATOM 450 CA GLN A 31 -12.812 0.242 -5.491 1.00 0.00 C ATOM 451 C GLN A 31 -13.760 -0.957 -5.520 1.00 0.00 C ATOM 452 O GLN A 31 -14.487 -1.155 -6.473 1.00 0.00 O ATOM 453 CB GLN A 31 -11.628 -0.023 -6.423 1.00 0.00 C ATOM 454 CG GLN A 31 -10.697 -1.085 -5.827 1.00 0.00 C ATOM 455 CD GLN A 31 -11.381 -2.453 -5.865 1.00 0.00 C ATOM 456 OE1 GLN A 31 -12.184 -2.721 -6.736 1.00 0.00 O ATOM 457 NE2 GLN A 31 -11.092 -3.337 -4.949 1.00 0.00 N ATOM 0 H GLN A 31 -11.406 0.141 -3.879 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.343 1.130 -5.834 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.991 -0.355 -7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.075 0.901 -6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.763 -1.119 -6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.442 -0.824 -4.800 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.418 -3.112 -4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.541 -4.253 -4.965 1.00 0.00 H new ATOM 466 N SER A 32 -13.760 -1.762 -4.490 1.00 0.00 N ATOM 467 CA SER A 32 -14.663 -2.950 -4.472 1.00 0.00 C ATOM 468 C SER A 32 -15.726 -2.782 -3.383 1.00 0.00 C ATOM 469 O SER A 32 -16.680 -3.532 -3.321 1.00 0.00 O ATOM 470 CB SER A 32 -13.841 -4.207 -4.193 1.00 0.00 C ATOM 471 OG SER A 32 -13.118 -4.564 -5.363 1.00 0.00 O ATOM 0 H SER A 32 -13.175 -1.648 -3.662 1.00 0.00 H new ATOM 0 HA SER A 32 -15.156 -3.041 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.153 -4.030 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.496 -5.025 -3.893 1.00 0.00 H new ATOM 0 HG SER A 32 -13.216 -3.858 -6.036 1.00 0.00 H new ATOM 477 N CYS A 33 -15.574 -1.807 -2.521 1.00 0.00 N ATOM 478 CA CYS A 33 -16.585 -1.603 -1.438 1.00 0.00 C ATOM 479 C CYS A 33 -17.090 -0.159 -1.448 1.00 0.00 C ATOM 480 O CYS A 33 -18.152 0.132 -0.936 1.00 0.00 O ATOM 481 CB CYS A 33 -15.953 -1.904 -0.076 1.00 0.00 C ATOM 482 SG CYS A 33 -15.193 -3.540 -0.108 1.00 0.00 S ATOM 0 H CYS A 33 -14.797 -1.146 -2.520 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.423 -2.278 -1.613 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.204 -1.149 0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.711 -1.860 0.706 1.00 0.00 H new ATOM 487 N GLY A 34 -16.344 0.757 -2.007 1.00 0.00 N ATOM 488 CA GLY A 34 -16.813 2.172 -2.009 1.00 0.00 C ATOM 489 C GLY A 34 -17.166 2.564 -0.574 1.00 0.00 C ATOM 490 O GLY A 34 -18.316 2.766 -0.237 1.00 0.00 O ATOM 0 H GLY A 34 -15.443 0.590 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.037 2.829 -2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.682 2.283 -2.657 1.00 0.00 H new ATOM 494 N VAL A 35 -16.181 2.631 0.280 1.00 0.00 N ATOM 495 CA VAL A 35 -16.438 2.961 1.714 1.00 0.00 C ATOM 496 C VAL A 35 -16.060 4.412 2.043 1.00 0.00 C ATOM 497 O VAL A 35 -16.835 5.123 2.649 1.00 0.00 O ATOM 498 CB VAL A 35 -15.617 2.008 2.588 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.952 0.561 2.207 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.124 2.269 2.364 1.00 0.00 C ATOM 0 H VAL A 35 -15.201 2.470 0.045 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.504 2.847 1.910 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.856 2.172 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.370 -0.122 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.015 0.380 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.709 0.396 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.539 1.591 2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.879 2.102 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.891 3.300 2.632 1.00 0.00 H new ATOM 510 N THR A 36 -14.884 4.862 1.676 1.00 0.00 N ATOM 511 CA THR A 36 -14.490 6.265 2.010 1.00 0.00 C ATOM 512 C THR A 36 -12.982 6.425 1.794 1.00 0.00 C ATOM 513 O THR A 36 -12.316 5.517 1.349 1.00 0.00 O ATOM 514 CB THR A 36 -14.828 6.573 3.485 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.157 5.368 4.162 1.00 0.00 O ATOM 516 CG2 THR A 36 -16.009 7.549 3.570 1.00 0.00 C ATOM 0 H THR A 36 -14.186 4.323 1.164 1.00 0.00 H new ATOM 0 HA THR A 36 -15.036 6.955 1.367 1.00 0.00 H new ATOM 0 HB THR A 36 -13.958 7.031 3.956 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.131 5.267 4.195 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.235 7.756 4.616 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.750 8.479 3.064 1.00 0.00 H new ATOM 0 HG23 THR A 36 -16.882 7.106 3.091 1.00 0.00 H new ATOM 524 N GLY A 37 -12.448 7.580 2.100 1.00 0.00 N ATOM 525 CA GLY A 37 -10.989 7.818 1.906 1.00 0.00 C ATOM 526 C GLY A 37 -10.225 7.489 3.183 1.00 0.00 C ATOM 527 O GLY A 37 -9.337 6.662 3.189 1.00 0.00 O ATOM 0 H GLY A 37 -12.966 8.373 2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.620 7.204 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.817 8.858 1.629 1.00 0.00 H new ATOM 531 N PRO A 38 -10.553 8.141 4.261 1.00 0.00 N ATOM 532 CA PRO A 38 -9.865 7.900 5.545 1.00 0.00 C ATOM 533 C PRO A 38 -9.808 6.410 5.874 1.00 0.00 C ATOM 534 O PRO A 38 -10.798 5.707 5.831 1.00 0.00 O ATOM 535 CB PRO A 38 -10.695 8.644 6.586 1.00 0.00 C ATOM 536 CG PRO A 38 -11.529 9.636 5.829 1.00 0.00 C ATOM 537 CD PRO A 38 -11.598 9.167 4.368 1.00 0.00 C ATOM 0 HA PRO A 38 -8.831 8.245 5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.325 7.954 7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.052 9.147 7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.529 9.701 6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.090 10.632 5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.580 8.760 4.128 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.417 9.991 3.678 1.00 0.00 H new ATOM 545 N ASN A 39 -8.652 5.938 6.204 1.00 0.00 N ATOM 546 CA ASN A 39 -8.483 4.500 6.547 1.00 0.00 C ATOM 547 C ASN A 39 -8.532 3.634 5.283 1.00 0.00 C ATOM 548 O ASN A 39 -8.871 2.469 5.345 1.00 0.00 O ATOM 549 CB ASN A 39 -9.595 4.060 7.514 1.00 0.00 C ATOM 550 CG ASN A 39 -9.009 3.153 8.599 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.390 3.625 9.532 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.178 1.862 8.516 1.00 0.00 N ATOM 0 H ASN A 39 -7.797 6.492 6.254 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.511 4.371 7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.060 4.934 7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.376 3.531 6.968 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.791 1.250 9.234 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.698 1.465 7.733 1.00 0.00 H new ATOM 559 N LEU A 40 -8.182 4.167 4.143 1.00 0.00 N ATOM 560 CA LEU A 40 -8.205 3.322 2.911 1.00 0.00 C ATOM 561 C LEU A 40 -6.889 2.542 2.837 1.00 0.00 C ATOM 562 O LEU A 40 -5.959 2.800 3.573 1.00 0.00 O ATOM 563 CB LEU A 40 -8.347 4.192 1.648 1.00 0.00 C ATOM 564 CG LEU A 40 -9.820 4.474 1.300 1.00 0.00 C ATOM 565 CD1 LEU A 40 -9.875 5.109 -0.092 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.639 3.174 1.280 1.00 0.00 C ATOM 0 H LEU A 40 -7.886 5.134 4.010 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.058 2.645 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.824 5.136 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.866 3.691 0.808 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.240 5.140 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.912 5.316 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.308 6.040 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.444 4.423 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.676 3.401 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.227 2.496 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.596 2.702 2.261 1.00 0.00 H new ATOM 578 N TRP A 41 -6.810 1.588 1.957 1.00 0.00 N ATOM 579 CA TRP A 41 -5.557 0.777 1.830 1.00 0.00 C ATOM 580 C TRP A 41 -5.496 0.167 0.432 1.00 0.00 C ATOM 581 O TRP A 41 -6.073 -0.870 0.172 1.00 0.00 O ATOM 582 CB TRP A 41 -5.550 -0.358 2.862 1.00 0.00 C ATOM 583 CG TRP A 41 -5.678 0.197 4.244 1.00 0.00 C ATOM 584 CD1 TRP A 41 -6.824 0.655 4.788 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.652 0.346 5.271 1.00 0.00 C ATOM 586 NE1 TRP A 41 -6.570 1.087 6.076 1.00 0.00 N ATOM 587 CE2 TRP A 41 -5.247 0.915 6.421 1.00 0.00 C ATOM 588 CE3 TRP A 41 -3.277 0.049 5.315 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -4.507 1.179 7.575 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -2.530 0.314 6.475 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.144 0.878 7.602 1.00 0.00 C ATOM 0 H TRP A 41 -7.559 1.329 1.315 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.698 1.426 2.002 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.371 -1.046 2.662 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.626 -0.931 2.777 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.785 0.680 4.296 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.276 1.485 6.696 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.793 -0.385 4.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.985 1.613 8.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.476 0.082 6.499 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.563 1.079 8.490 1.00 0.00 H new ATOM 602 N ALA A 42 -4.814 0.804 -0.476 1.00 0.00 N ATOM 603 CA ALA A 42 -4.732 0.265 -1.858 1.00 0.00 C ATOM 604 C ALA A 42 -3.511 -0.637 -2.019 1.00 0.00 C ATOM 605 O ALA A 42 -2.455 -0.382 -1.476 1.00 0.00 O ATOM 606 CB ALA A 42 -4.625 1.430 -2.837 1.00 0.00 C ATOM 0 H ALA A 42 -4.309 1.676 -0.320 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.627 -0.323 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.564 1.045 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.504 2.067 -2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.730 2.011 -2.615 1.00 0.00 H new ATOM 612 N CYS A 43 -3.652 -1.683 -2.786 1.00 0.00 N ATOM 613 CA CYS A 43 -2.509 -2.605 -3.017 1.00 0.00 C ATOM 614 C CYS A 43 -1.360 -1.815 -3.642 1.00 0.00 C ATOM 615 O CYS A 43 -1.573 -0.824 -4.310 1.00 0.00 O ATOM 616 CB CYS A 43 -2.943 -3.724 -3.962 1.00 0.00 C ATOM 617 SG CYS A 43 -1.972 -5.211 -3.620 1.00 0.00 S ATOM 0 H CYS A 43 -4.516 -1.938 -3.265 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.183 -3.043 -2.073 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.005 -3.932 -3.833 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.802 -3.415 -4.998 1.00 0.00 H new ATOM 622 N LEU A 44 -0.145 -2.233 -3.420 1.00 0.00 N ATOM 623 CA LEU A 44 1.011 -1.486 -3.993 1.00 0.00 C ATOM 624 C LEU A 44 1.993 -2.450 -4.662 1.00 0.00 C ATOM 625 O LEU A 44 3.191 -2.305 -4.535 1.00 0.00 O ATOM 626 CB LEU A 44 1.716 -0.728 -2.863 1.00 0.00 C ATOM 627 CG LEU A 44 2.721 0.280 -3.447 1.00 0.00 C ATOM 628 CD1 LEU A 44 2.014 1.606 -3.744 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.844 0.530 -2.438 1.00 0.00 C ATOM 0 H LEU A 44 0.098 -3.056 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 44 0.652 -0.785 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.980 -0.206 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.233 -1.431 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 44 3.136 -0.128 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.731 2.316 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.213 1.438 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.594 2.009 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.555 1.244 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.423 0.932 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.356 -0.408 -2.224 1.00 0.00 H new ATOM 641 N GLN A 45 1.510 -3.430 -5.382 1.00 0.00 N ATOM 642 CA GLN A 45 2.452 -4.371 -6.054 1.00 0.00 C ATOM 643 C GLN A 45 2.778 -3.853 -7.456 1.00 0.00 C ATOM 644 O GLN A 45 1.968 -3.221 -8.105 1.00 0.00 O ATOM 645 CB GLN A 45 1.843 -5.772 -6.155 1.00 0.00 C ATOM 646 CG GLN A 45 0.901 -6.020 -4.977 1.00 0.00 C ATOM 647 CD GLN A 45 1.711 -6.498 -3.770 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.475 -7.437 -3.871 1.00 0.00 O ATOM 649 NE2 GLN A 45 1.574 -5.888 -2.625 1.00 0.00 N ATOM 0 H GLN A 45 0.519 -3.617 -5.532 1.00 0.00 H new ATOM 0 HA GLN A 45 3.364 -4.432 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.299 -5.874 -7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.634 -6.522 -6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.363 -5.105 -4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.153 -6.766 -5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.932 -5.100 -2.541 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.109 -6.199 -1.814 1.00 0.00 H new ATOM 658 N VAL A 46 3.969 -4.112 -7.911 1.00 0.00 N ATOM 659 CA VAL A 46 4.397 -3.643 -9.262 1.00 0.00 C ATOM 660 C VAL A 46 3.264 -3.784 -10.289 1.00 0.00 C ATOM 661 O VAL A 46 3.304 -3.171 -11.337 1.00 0.00 O ATOM 662 CB VAL A 46 5.595 -4.477 -9.730 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.129 -5.885 -10.111 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.236 -3.805 -10.947 1.00 0.00 C ATOM 0 H VAL A 46 4.678 -4.637 -7.398 1.00 0.00 H new ATOM 0 HA VAL A 46 4.666 -2.590 -9.185 1.00 0.00 H new ATOM 0 HB VAL A 46 6.324 -4.546 -8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.984 -6.474 -10.443 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.673 -6.364 -9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.398 -5.821 -10.917 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.088 -4.396 -11.282 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.504 -3.735 -11.752 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.573 -2.805 -10.675 1.00 0.00 H new ATOM 674 N ALA A 47 2.266 -4.589 -10.028 1.00 0.00 N ATOM 675 CA ALA A 47 1.176 -4.743 -11.039 1.00 0.00 C ATOM 676 C ALA A 47 -0.169 -5.044 -10.370 1.00 0.00 C ATOM 677 O ALA A 47 -0.853 -5.978 -10.741 1.00 0.00 O ATOM 678 CB ALA A 47 1.531 -5.889 -11.988 1.00 0.00 C ATOM 0 H ALA A 47 2.158 -5.138 -9.175 1.00 0.00 H new ATOM 0 HA ALA A 47 1.083 -3.805 -11.587 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.740 -6.007 -12.728 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.470 -5.665 -12.493 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.636 -6.813 -11.419 1.00 0.00 H new ATOM 684 N CYS A 48 -0.571 -4.258 -9.407 1.00 0.00 N ATOM 685 CA CYS A 48 -1.888 -4.506 -8.750 1.00 0.00 C ATOM 686 C CYS A 48 -2.562 -3.173 -8.417 1.00 0.00 C ATOM 687 O CYS A 48 -2.498 -2.702 -7.298 1.00 0.00 O ATOM 688 CB CYS A 48 -1.687 -5.299 -7.461 1.00 0.00 C ATOM 689 SG CYS A 48 -3.266 -6.038 -6.976 1.00 0.00 S ATOM 0 H CYS A 48 -0.048 -3.459 -9.048 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.518 -5.075 -9.433 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.937 -6.076 -7.609 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.318 -4.646 -6.670 1.00 0.00 H new ATOM 694 N PRO A 49 -3.208 -2.570 -9.379 1.00 0.00 N ATOM 695 CA PRO A 49 -3.909 -1.277 -9.182 1.00 0.00 C ATOM 696 C PRO A 49 -5.335 -1.467 -8.653 1.00 0.00 C ATOM 697 O PRO A 49 -6.245 -1.783 -9.392 1.00 0.00 O ATOM 698 CB PRO A 49 -3.930 -0.686 -10.591 1.00 0.00 C ATOM 699 CG PRO A 49 -3.982 -1.869 -11.510 1.00 0.00 C ATOM 700 CD PRO A 49 -3.340 -3.049 -10.763 1.00 0.00 C ATOM 0 HA PRO A 49 -3.418 -0.644 -8.443 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.795 -0.038 -10.734 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.043 -0.080 -10.778 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.012 -2.100 -11.783 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.446 -1.661 -12.436 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.963 -3.942 -10.818 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.371 -3.310 -11.188 1.00 0.00 H new ATOM 708 N TYR A 50 -5.532 -1.263 -7.379 1.00 0.00 N ATOM 709 CA TYR A 50 -6.889 -1.419 -6.781 1.00 0.00 C ATOM 710 C TYR A 50 -6.874 -0.795 -5.385 1.00 0.00 C ATOM 711 O TYR A 50 -5.966 -1.023 -4.612 1.00 0.00 O ATOM 712 CB TYR A 50 -7.239 -2.907 -6.665 1.00 0.00 C ATOM 713 CG TYR A 50 -7.503 -3.477 -8.039 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.573 -4.343 -8.628 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.676 -3.139 -8.726 1.00 0.00 C ATOM 716 CE1 TYR A 50 -6.816 -4.871 -9.901 1.00 0.00 C ATOM 717 CE2 TYR A 50 -8.918 -3.666 -9.999 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.988 -4.533 -10.587 1.00 0.00 C ATOM 719 OH TYR A 50 -8.227 -5.052 -11.842 1.00 0.00 O ATOM 0 H TYR A 50 -4.802 -0.992 -6.720 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.631 -0.928 -7.411 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.421 -3.447 -6.188 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.117 -3.036 -6.033 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.668 -4.603 -8.099 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.394 -2.471 -8.273 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.099 -5.539 -10.354 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.822 -3.404 -10.529 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.085 -4.717 -12.176 1.00 0.00 H new ATOM 729 N VAL A 51 -7.861 -0.004 -5.052 1.00 0.00 N ATOM 730 CA VAL A 51 -7.875 0.630 -3.702 1.00 0.00 C ATOM 731 C VAL A 51 -8.850 -0.112 -2.786 1.00 0.00 C ATOM 732 O VAL A 51 -10.051 0.032 -2.880 1.00 0.00 O ATOM 733 CB VAL A 51 -8.256 2.107 -3.834 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.428 2.259 -4.807 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.639 2.676 -2.464 1.00 0.00 C ATOM 0 H VAL A 51 -8.652 0.229 -5.652 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.882 0.568 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.399 2.659 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.693 3.313 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.141 1.874 -5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.286 1.699 -4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.908 3.727 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.488 2.122 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.793 2.584 -1.783 1.00 0.00 H new ATOM 745 N GLY A 52 -8.328 -0.923 -1.905 1.00 0.00 N ATOM 746 CA GLY A 52 -9.201 -1.705 -0.985 1.00 0.00 C ATOM 747 C GLY A 52 -9.545 -0.896 0.269 1.00 0.00 C ATOM 748 O GLY A 52 -9.220 0.269 0.384 1.00 0.00 O ATOM 0 H GLY A 52 -7.327 -1.078 -1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.118 -1.988 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.698 -2.629 -0.699 1.00 0.00 H new ATOM 752 N CYS A 53 -10.215 -1.519 1.204 1.00 0.00 N ATOM 753 CA CYS A 53 -10.613 -0.823 2.463 1.00 0.00 C ATOM 754 C CYS A 53 -9.666 -1.174 3.593 1.00 0.00 C ATOM 755 O CYS A 53 -8.846 -2.066 3.506 1.00 0.00 O ATOM 756 CB CYS A 53 -11.992 -1.313 2.936 1.00 0.00 C ATOM 757 SG CYS A 53 -12.364 -2.920 2.189 1.00 0.00 S ATOM 0 H CYS A 53 -10.507 -2.495 1.147 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.608 0.245 2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.005 -1.395 4.023 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.759 -0.588 2.662 1.00 0.00 H new ATOM 762 N GLY A 54 -9.874 -0.513 4.684 1.00 0.00 N ATOM 763 CA GLY A 54 -9.124 -0.799 5.922 1.00 0.00 C ATOM 764 C GLY A 54 -10.189 -1.263 6.896 1.00 0.00 C ATOM 765 O GLY A 54 -11.352 -1.000 6.675 1.00 0.00 O ATOM 0 H GLY A 54 -10.557 0.240 4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.367 -1.567 5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.606 0.087 6.289 1.00 0.00 H new ATOM 769 N GLU A 55 -9.848 -1.953 7.941 1.00 0.00 N ATOM 770 CA GLU A 55 -10.913 -2.412 8.887 1.00 0.00 C ATOM 771 C GLU A 55 -12.104 -1.474 8.794 1.00 0.00 C ATOM 772 O GLU A 55 -13.245 -1.888 8.843 1.00 0.00 O ATOM 773 CB GLU A 55 -10.383 -2.393 10.309 1.00 0.00 C ATOM 774 CG GLU A 55 -10.151 -0.947 10.758 1.00 0.00 C ATOM 775 CD GLU A 55 -9.270 -0.933 12.009 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.080 -0.700 11.868 1.00 0.00 O ATOM 777 OE2 GLU A 55 -9.799 -1.158 13.085 1.00 0.00 O ATOM 0 H GLU A 55 -8.895 -2.220 8.186 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.213 -3.426 8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.092 -2.882 10.977 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.451 -2.955 10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.674 -0.379 9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.105 -0.463 10.967 1.00 0.00 H new ATOM 784 N SER A 56 -11.826 -0.214 8.630 1.00 0.00 N ATOM 785 CA SER A 56 -12.911 0.792 8.485 1.00 0.00 C ATOM 786 C SER A 56 -14.129 0.106 7.867 1.00 0.00 C ATOM 787 O SER A 56 -15.250 0.294 8.298 1.00 0.00 O ATOM 788 CB SER A 56 -12.417 1.905 7.561 1.00 0.00 C ATOM 789 OG SER A 56 -12.160 3.074 8.329 1.00 0.00 O ATOM 0 H SER A 56 -10.881 0.167 8.590 1.00 0.00 H new ATOM 0 HA SER A 56 -13.183 1.214 9.453 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.511 1.589 7.044 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.164 2.116 6.795 1.00 0.00 H new ATOM 0 HG SER A 56 -12.462 3.864 7.834 1.00 0.00 H new ATOM 795 N PHE A 57 -13.905 -0.711 6.868 1.00 0.00 N ATOM 796 CA PHE A 57 -15.038 -1.442 6.225 1.00 0.00 C ATOM 797 C PHE A 57 -14.828 -2.944 6.386 1.00 0.00 C ATOM 798 O PHE A 57 -15.226 -3.543 7.365 1.00 0.00 O ATOM 799 CB PHE A 57 -15.100 -1.120 4.738 1.00 0.00 C ATOM 800 CG PHE A 57 -16.230 -1.903 4.109 1.00 0.00 C ATOM 801 CD1 PHE A 57 -17.555 -1.624 4.465 1.00 0.00 C ATOM 802 CD2 PHE A 57 -15.954 -2.908 3.174 1.00 0.00 C ATOM 803 CE1 PHE A 57 -18.603 -2.349 3.887 1.00 0.00 C ATOM 804 CE2 PHE A 57 -17.003 -3.632 2.596 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.327 -3.354 2.952 1.00 0.00 C ATOM 0 H PHE A 57 -12.986 -0.903 6.470 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.967 -1.133 6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.256 -0.051 4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.154 -1.373 4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.768 -0.849 5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.932 -3.124 2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.625 -2.133 4.162 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.790 -4.406 1.874 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.136 -3.914 2.506 1.00 0.00 H new ATOM 815 N ALA A 58 -14.195 -3.545 5.421 1.00 0.00 N ATOM 816 CA ALA A 58 -13.931 -5.015 5.478 1.00 0.00 C ATOM 817 C ALA A 58 -12.424 -5.242 5.413 1.00 0.00 C ATOM 818 O ALA A 58 -11.945 -6.357 5.452 1.00 0.00 O ATOM 819 CB ALA A 58 -14.603 -5.702 4.287 1.00 0.00 C ATOM 0 H ALA A 58 -13.844 -3.079 4.584 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.332 -5.430 6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.410 -6.774 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.678 -5.525 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.200 -5.297 3.359 1.00 0.00 H new ATOM 825 N ASP A 59 -11.677 -4.180 5.314 1.00 0.00 N ATOM 826 CA ASP A 59 -10.196 -4.297 5.245 1.00 0.00 C ATOM 827 C ASP A 59 -9.787 -5.232 4.108 1.00 0.00 C ATOM 828 O ASP A 59 -9.157 -6.245 4.333 1.00 0.00 O ATOM 829 CB ASP A 59 -9.651 -4.842 6.571 1.00 0.00 C ATOM 830 CG ASP A 59 -8.150 -5.105 6.445 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.783 -6.244 6.210 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.391 -4.160 6.589 1.00 0.00 O ATOM 0 H ASP A 59 -12.034 -3.225 5.278 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.781 -3.307 5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.838 -4.128 7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.170 -5.763 6.837 1.00 0.00 H new ATOM 837 N HIS A 60 -10.104 -4.900 2.880 1.00 0.00 N ATOM 838 CA HIS A 60 -9.675 -5.787 1.761 1.00 0.00 C ATOM 839 C HIS A 60 -8.191 -6.069 1.976 1.00 0.00 C ATOM 840 O HIS A 60 -7.654 -7.057 1.539 1.00 0.00 O ATOM 841 CB HIS A 60 -9.866 -5.079 0.410 1.00 0.00 C ATOM 842 CG HIS A 60 -11.056 -5.645 -0.324 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.169 -4.873 -0.666 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.311 -6.906 -0.803 1.00 0.00 C ATOM 845 CE1 HIS A 60 -13.024 -5.683 -1.320 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.550 -6.924 -1.427 1.00 0.00 N ATOM 0 H HIS A 60 -10.631 -4.069 2.610 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.265 -6.703 1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.006 -4.010 0.570 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.968 -5.195 -0.197 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.649 -7.754 -0.709 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.979 -5.365 -1.711 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.003 -7.721 -1.874 1.00 0.00 H new ATOM 854 N SER A 61 -7.539 -5.182 2.669 1.00 0.00 N ATOM 855 CA SER A 61 -6.088 -5.349 2.951 1.00 0.00 C ATOM 856 C SER A 61 -5.796 -6.784 3.393 1.00 0.00 C ATOM 857 O SER A 61 -4.739 -7.319 3.123 1.00 0.00 O ATOM 858 CB SER A 61 -5.698 -4.383 4.074 1.00 0.00 C ATOM 859 OG SER A 61 -4.337 -4.003 3.917 1.00 0.00 O ATOM 0 H SER A 61 -7.955 -4.336 3.058 1.00 0.00 H new ATOM 0 HA SER A 61 -5.514 -5.137 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.339 -3.501 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.845 -4.857 5.044 1.00 0.00 H new ATOM 0 HG SER A 61 -4.086 -3.383 4.634 1.00 0.00 H new ATOM 865 N THR A 62 -6.712 -7.409 4.080 1.00 0.00 N ATOM 866 CA THR A 62 -6.459 -8.797 4.542 1.00 0.00 C ATOM 867 C THR A 62 -6.908 -9.803 3.490 1.00 0.00 C ATOM 868 O THR A 62 -6.110 -10.534 2.939 1.00 0.00 O ATOM 869 CB THR A 62 -7.233 -9.064 5.827 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.500 -8.424 5.760 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.449 -8.535 7.032 1.00 0.00 C ATOM 0 H THR A 62 -7.618 -7.019 4.339 1.00 0.00 H new ATOM 0 HA THR A 62 -5.389 -8.906 4.716 1.00 0.00 H new ATOM 0 HB THR A 62 -7.375 -10.139 5.942 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.416 -7.498 6.070 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.010 -8.731 7.946 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.483 -9.036 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.295 -7.461 6.923 1.00 0.00 H new ATOM 879 N ILE A 63 -8.184 -9.873 3.225 1.00 0.00 N ATOM 880 CA ILE A 63 -8.655 -10.864 2.230 1.00 0.00 C ATOM 881 C ILE A 63 -7.922 -10.634 0.908 1.00 0.00 C ATOM 882 O ILE A 63 -7.636 -11.556 0.175 1.00 0.00 O ATOM 883 CB ILE A 63 -10.157 -10.750 2.006 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.521 -9.289 1.800 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.903 -11.302 3.222 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.929 -9.188 1.210 1.00 0.00 C ATOM 0 H ILE A 63 -8.908 -9.294 3.650 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.444 -11.864 2.610 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.440 -11.325 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.475 -8.755 2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.801 -8.815 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.977 -11.219 3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.638 -12.349 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.626 -10.732 4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.188 -8.139 1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.960 -9.707 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.644 -9.646 1.894 1.00 0.00 H new ATOM 898 N HIS A 64 -7.619 -9.407 0.605 1.00 0.00 N ATOM 899 CA HIS A 64 -6.900 -9.108 -0.668 1.00 0.00 C ATOM 900 C HIS A 64 -5.460 -9.614 -0.569 1.00 0.00 C ATOM 901 O HIS A 64 -4.937 -10.201 -1.496 1.00 0.00 O ATOM 902 CB HIS A 64 -6.881 -7.602 -0.930 1.00 0.00 C ATOM 903 CG HIS A 64 -6.200 -7.357 -2.245 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.891 -6.957 -3.379 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.890 -7.483 -2.627 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.999 -6.863 -4.383 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.766 -7.175 -3.976 1.00 0.00 N ATOM 0 H HIS A 64 -7.837 -8.594 1.182 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.418 -9.606 -1.487 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.897 -7.208 -0.950 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.354 -7.084 -0.128 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.892 -6.769 -3.441 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.078 -7.777 -1.978 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.250 -6.571 -5.392 1.00 0.00 H new ATOM 915 N ALA A 65 -4.820 -9.416 0.552 1.00 0.00 N ATOM 916 CA ALA A 65 -3.424 -9.917 0.698 1.00 0.00 C ATOM 917 C ALA A 65 -3.515 -11.418 0.919 1.00 0.00 C ATOM 918 O ALA A 65 -2.572 -12.162 0.759 1.00 0.00 O ATOM 919 CB ALA A 65 -2.755 -9.253 1.904 1.00 0.00 C ATOM 0 H ALA A 65 -5.200 -8.933 1.366 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.831 -9.686 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.735 -9.624 2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.736 -8.173 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.317 -9.489 2.808 1.00 0.00 H new ATOM 925 N GLN A 66 -4.672 -11.836 1.313 1.00 0.00 N ATOM 926 CA GLN A 66 -4.952 -13.262 1.599 1.00 0.00 C ATOM 927 C GLN A 66 -5.286 -14.019 0.307 1.00 0.00 C ATOM 928 O GLN A 66 -4.947 -15.176 0.148 1.00 0.00 O ATOM 929 CB GLN A 66 -6.172 -13.251 2.514 1.00 0.00 C ATOM 930 CG GLN A 66 -6.802 -14.641 2.661 1.00 0.00 C ATOM 931 CD GLN A 66 -6.377 -15.267 3.993 1.00 0.00 C ATOM 932 OE1 GLN A 66 -7.209 -15.617 4.806 1.00 0.00 O ATOM 933 NE2 GLN A 66 -5.108 -15.425 4.251 1.00 0.00 N ATOM 0 H GLN A 66 -5.473 -11.221 1.456 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.092 -13.757 2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.883 -12.880 3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.914 -12.558 2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.888 -14.564 2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.492 -15.280 1.834 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.409 -15.132 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.815 -15.842 5.135 1.00 0.00 H new ATOM 942 N ALA A 67 -5.973 -13.386 -0.604 1.00 0.00 N ATOM 943 CA ALA A 67 -6.363 -14.077 -1.866 1.00 0.00 C ATOM 944 C ALA A 67 -5.265 -13.908 -2.914 1.00 0.00 C ATOM 945 O ALA A 67 -4.907 -14.835 -3.614 1.00 0.00 O ATOM 946 CB ALA A 67 -7.675 -13.477 -2.395 1.00 0.00 C ATOM 0 H ALA A 67 -6.282 -12.417 -0.529 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.503 -15.139 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.960 -13.982 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.461 -13.609 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.536 -12.414 -2.592 1.00 0.00 H new ATOM 952 N LYS A 68 -4.749 -12.721 -3.037 1.00 0.00 N ATOM 953 CA LYS A 68 -3.691 -12.463 -4.051 1.00 0.00 C ATOM 954 C LYS A 68 -2.318 -12.568 -3.396 1.00 0.00 C ATOM 955 O LYS A 68 -1.297 -12.360 -4.019 1.00 0.00 O ATOM 956 CB LYS A 68 -3.895 -11.065 -4.624 1.00 0.00 C ATOM 957 CG LYS A 68 -5.318 -10.957 -5.196 1.00 0.00 C ATOM 958 CD LYS A 68 -6.263 -10.365 -4.147 1.00 0.00 C ATOM 959 CE LYS A 68 -7.644 -10.139 -4.769 1.00 0.00 C ATOM 960 NZ LYS A 68 -7.619 -8.904 -5.601 1.00 0.00 N ATOM 0 H LYS A 68 -5.015 -11.912 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.752 -13.199 -4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.744 -10.315 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.160 -10.868 -5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.313 -10.330 -6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.672 -11.942 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.343 -11.038 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.863 -9.423 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.924 -10.997 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.397 -10.047 -3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.273 -9.012 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.910 -8.090 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.656 -8.747 -5.960 1.00 0.00 H new ATOM 974 N LYS A 69 -2.296 -12.905 -2.141 1.00 0.00 N ATOM 975 CA LYS A 69 -1.004 -13.050 -1.419 1.00 0.00 C ATOM 976 C LYS A 69 -0.192 -11.752 -1.506 1.00 0.00 C ATOM 977 O LYS A 69 0.990 -11.736 -1.221 1.00 0.00 O ATOM 978 CB LYS A 69 -0.202 -14.208 -2.032 1.00 0.00 C ATOM 979 CG LYS A 69 -0.550 -15.524 -1.320 1.00 0.00 C ATOM 980 CD LYS A 69 -2.074 -15.681 -1.213 1.00 0.00 C ATOM 981 CE LYS A 69 -2.438 -17.169 -1.199 1.00 0.00 C ATOM 982 NZ LYS A 69 -1.544 -17.889 -0.248 1.00 0.00 N ATOM 0 H LYS A 69 -3.126 -13.088 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.208 -13.262 -0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.423 -14.291 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.866 -14.008 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.128 -16.366 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.105 -15.537 -0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.436 -15.199 -0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.561 -15.185 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.479 -17.297 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.336 -17.589 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.011 -18.760 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.652 -18.131 -0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.344 -17.279 0.570 1.00 0.00 H new ATOM 996 N HIS A 70 -0.810 -10.657 -1.863 1.00 0.00 N ATOM 997 CA HIS A 70 -0.048 -9.372 -1.920 1.00 0.00 C ATOM 998 C HIS A 70 0.139 -8.885 -0.482 1.00 0.00 C ATOM 999 O HIS A 70 -0.819 -8.663 0.231 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.824 -8.339 -2.742 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.849 -8.779 -4.181 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.921 -8.512 -5.020 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.060 -9.474 -4.944 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.632 -9.040 -6.226 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.440 -9.635 -6.229 1.00 0.00 N ATOM 0 H HIS A 70 -1.796 -10.595 -2.115 1.00 0.00 H new ATOM 0 HA HIS A 70 0.921 -9.517 -2.398 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.840 -8.240 -2.360 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.355 -7.359 -2.656 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.016 -9.838 -4.597 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.286 -8.987 -7.084 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.011 -10.109 -7.011 1.00 0.00 H new ATOM 1013 N ASN A 71 1.358 -8.754 -0.028 1.00 0.00 N ATOM 1014 CA ASN A 71 1.577 -8.327 1.382 1.00 0.00 C ATOM 1015 C ASN A 71 1.651 -6.806 1.489 1.00 0.00 C ATOM 1016 O ASN A 71 1.130 -6.217 2.415 1.00 0.00 O ATOM 1017 CB ASN A 71 2.884 -8.939 1.887 1.00 0.00 C ATOM 1018 CG ASN A 71 3.915 -8.953 0.758 1.00 0.00 C ATOM 1019 OD1 ASN A 71 4.875 -8.208 0.784 1.00 0.00 O ATOM 1020 ND2 ASN A 71 3.759 -9.779 -0.241 1.00 0.00 N ATOM 0 H ASN A 71 2.205 -8.923 -0.570 1.00 0.00 H new ATOM 0 HA ASN A 71 0.738 -8.670 1.988 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.263 -8.365 2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.708 -9.954 2.245 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.442 -9.798 -0.998 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.954 -10.405 -0.264 1.00 0.00 H new ATOM 1027 N LEU A 72 2.325 -6.167 0.580 1.00 0.00 N ATOM 1028 CA LEU A 72 2.473 -4.688 0.671 1.00 0.00 C ATOM 1029 C LEU A 72 1.256 -3.939 0.131 1.00 0.00 C ATOM 1030 O LEU A 72 0.738 -4.221 -0.932 1.00 0.00 O ATOM 1031 CB LEU A 72 3.705 -4.264 -0.116 1.00 0.00 C ATOM 1032 CG LEU A 72 4.954 -4.814 0.570 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.139 -4.707 -0.384 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.250 -4.010 1.844 1.00 0.00 C ATOM 0 H LEU A 72 2.780 -6.602 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 72 2.571 -4.434 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.644 -4.636 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.757 -3.177 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 72 4.788 -5.857 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.033 -5.098 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.933 -5.284 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.299 -3.662 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.142 -4.409 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.415 -2.964 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.404 -4.085 2.527 1.00 0.00 H new ATOM 1046 N THR A 73 0.841 -2.949 0.868 1.00 0.00 N ATOM 1047 CA THR A 73 -0.302 -2.090 0.460 1.00 0.00 C ATOM 1048 C THR A 73 -0.047 -0.716 1.080 1.00 0.00 C ATOM 1049 O THR A 73 0.719 -0.605 2.012 1.00 0.00 O ATOM 1050 CB THR A 73 -1.624 -2.671 0.985 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.407 -1.632 1.556 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.338 -3.735 2.046 1.00 0.00 C ATOM 0 H THR A 73 1.260 -2.693 1.762 1.00 0.00 H new ATOM 0 HA THR A 73 -0.382 -2.029 -0.625 1.00 0.00 H new ATOM 0 HB THR A 73 -2.169 -3.125 0.157 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.713 -1.904 2.446 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.279 -4.143 2.415 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.742 -4.535 1.607 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.789 -3.285 2.873 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.645 0.335 0.584 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.363 1.678 1.182 1.00 0.00 C ATOM 1062 C VAL A 74 -1.644 2.332 1.688 1.00 0.00 C ATOM 1063 O VAL A 74 -2.673 2.318 1.042 1.00 0.00 O ATOM 1064 CB VAL A 74 0.302 2.571 0.132 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.455 2.452 -1.192 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.277 4.031 0.597 1.00 0.00 C ATOM 0 H VAL A 74 -1.304 0.327 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 74 0.307 1.548 2.032 1.00 0.00 H new ATOM 0 HB VAL A 74 1.336 2.252 -0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.018 3.088 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.435 1.416 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.489 2.767 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.752 4.661 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.756 4.350 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.817 4.122 1.540 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.570 2.907 2.859 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.755 3.576 3.458 1.00 0.00 C ATOM 1078 C ASN A 75 -2.793 5.036 3.014 1.00 0.00 C ATOM 1079 O ASN A 75 -2.069 5.869 3.521 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.648 3.517 4.982 1.00 0.00 C ATOM 1081 CG ASN A 75 -3.996 3.882 5.602 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -4.896 4.315 4.914 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.173 3.725 6.886 1.00 0.00 N ATOM 0 H ASN A 75 -0.726 2.940 3.431 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.664 3.071 3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.349 2.517 5.298 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.877 4.205 5.330 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.068 3.967 7.311 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.416 3.361 7.464 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.637 5.352 2.079 1.00 0.00 N ATOM 1091 CA LEU A 76 -3.732 6.757 1.606 1.00 0.00 C ATOM 1092 C LEU A 76 -4.330 7.606 2.727 1.00 0.00 C ATOM 1093 O LEU A 76 -4.628 8.771 2.555 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.616 6.794 0.360 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.184 5.658 -0.596 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.394 4.806 -0.978 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.544 6.234 -1.866 1.00 0.00 C ATOM 0 H LEU A 76 -4.268 4.696 1.619 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.750 7.154 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.663 6.675 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.526 7.760 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.450 5.038 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.080 4.009 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.831 4.371 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.136 5.430 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.247 5.419 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.264 6.872 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.666 6.821 -1.597 1.00 0.00 H new ATOM 1109 N THR A 77 -4.484 7.020 3.884 1.00 0.00 N ATOM 1110 CA THR A 77 -5.036 7.767 5.045 1.00 0.00 C ATOM 1111 C THR A 77 -3.878 8.400 5.808 1.00 0.00 C ATOM 1112 O THR A 77 -3.958 9.520 6.273 1.00 0.00 O ATOM 1113 CB THR A 77 -5.769 6.797 5.968 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.768 6.117 5.226 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.404 7.576 7.123 1.00 0.00 C ATOM 0 H THR A 77 -4.248 6.046 4.074 1.00 0.00 H new ATOM 0 HA THR A 77 -5.728 8.535 4.700 1.00 0.00 H new ATOM 0 HB THR A 77 -5.069 6.069 6.377 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.376 5.328 4.796 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.928 6.885 7.783 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.626 8.094 7.684 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.111 8.304 6.725 1.00 0.00 H new ATOM 1123 N THR A 78 -2.803 7.671 5.948 1.00 0.00 N ATOM 1124 CA THR A 78 -1.619 8.201 6.692 1.00 0.00 C ATOM 1125 C THR A 78 -0.385 8.249 5.784 1.00 0.00 C ATOM 1126 O THR A 78 0.592 8.899 6.098 1.00 0.00 O ATOM 1127 CB THR A 78 -1.327 7.289 7.885 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.543 6.973 8.549 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.381 8.000 8.855 1.00 0.00 C ATOM 0 H THR A 78 -2.692 6.727 5.578 1.00 0.00 H new ATOM 0 HA THR A 78 -1.843 9.212 7.033 1.00 0.00 H new ATOM 0 HB THR A 78 -0.858 6.370 7.533 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.566 7.421 9.421 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.174 7.349 9.704 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.552 8.238 8.344 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.846 8.920 9.208 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.421 7.575 4.668 1.00 0.00 N ATOM 1138 CA PHE A 79 0.751 7.585 3.736 1.00 0.00 C ATOM 1139 C PHE A 79 1.854 6.652 4.253 1.00 0.00 C ATOM 1140 O PHE A 79 2.992 7.044 4.412 1.00 0.00 O ATOM 1141 CB PHE A 79 1.305 9.010 3.596 1.00 0.00 C ATOM 1142 CG PHE A 79 0.169 10.005 3.644 1.00 0.00 C ATOM 1143 CD1 PHE A 79 -0.952 9.827 2.823 1.00 0.00 C ATOM 1144 CD2 PHE A 79 0.235 11.105 4.508 1.00 0.00 C ATOM 1145 CE1 PHE A 79 -2.004 10.748 2.867 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -0.818 12.026 4.552 1.00 0.00 C ATOM 1147 CZ PHE A 79 -1.938 11.848 3.730 1.00 0.00 C ATOM 0 H PHE A 79 -1.214 7.014 4.357 1.00 0.00 H new ATOM 0 HA PHE A 79 0.417 7.233 2.760 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.015 9.215 4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.848 9.109 2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.004 8.979 2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.099 11.243 5.141 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.868 10.610 2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.767 12.874 5.219 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.750 12.559 3.762 1.00 0.00 H new ATOM 1157 N ARG A 80 1.522 5.411 4.482 1.00 0.00 N ATOM 1158 CA ARG A 80 2.533 4.420 4.949 1.00 0.00 C ATOM 1159 C ARG A 80 2.203 3.093 4.275 1.00 0.00 C ATOM 1160 O ARG A 80 1.260 3.004 3.516 1.00 0.00 O ATOM 1161 CB ARG A 80 2.488 4.253 6.477 1.00 0.00 C ATOM 1162 CG ARG A 80 1.197 4.851 7.052 1.00 0.00 C ATOM 1163 CD ARG A 80 0.877 4.166 8.385 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.400 4.696 8.944 1.00 0.00 N ATOM 1165 CZ ARG A 80 -0.575 4.770 10.238 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -1.696 5.238 10.715 1.00 0.00 N ATOM 1167 NH2 ARG A 80 0.362 4.371 11.053 1.00 0.00 N ATOM 0 H ARG A 80 0.581 5.037 4.364 1.00 0.00 H new ATOM 0 HA ARG A 80 3.535 4.761 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.550 3.196 6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.352 4.742 6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.313 5.925 7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.374 4.713 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.799 3.089 8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.689 4.334 9.092 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.141 5.002 8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.432 5.545 10.079 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.836 5.297 11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.236 3.999 10.682 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.220 4.431 12.061 1.00 0.00 H new ATOM 1181 N LEU A 81 2.959 2.068 4.530 1.00 0.00 N ATOM 1182 CA LEU A 81 2.669 0.760 3.877 1.00 0.00 C ATOM 1183 C LEU A 81 2.313 -0.284 4.927 1.00 0.00 C ATOM 1184 O LEU A 81 2.343 -0.034 6.115 1.00 0.00 O ATOM 1185 CB LEU A 81 3.902 0.304 3.088 1.00 0.00 C ATOM 1186 CG LEU A 81 3.795 0.758 1.627 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.196 1.045 1.077 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.118 -0.331 0.772 1.00 0.00 C ATOM 0 H LEU A 81 3.762 2.075 5.159 1.00 0.00 H new ATOM 0 HA LEU A 81 1.823 0.876 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.804 0.717 3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.991 -0.781 3.133 1.00 0.00 H new ATOM 0 HG LEU A 81 3.190 1.664 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.120 1.368 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.665 1.832 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.801 0.140 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.050 0.008 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.707 -1.247 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.117 -0.525 1.156 1.00 0.00 H new ATOM 1200 N TRP A 82 1.976 -1.454 4.478 1.00 0.00 N ATOM 1201 CA TRP A 82 1.612 -2.554 5.407 1.00 0.00 C ATOM 1202 C TRP A 82 1.920 -3.872 4.713 1.00 0.00 C ATOM 1203 O TRP A 82 1.289 -4.235 3.740 1.00 0.00 O ATOM 1204 CB TRP A 82 0.121 -2.481 5.741 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.297 -3.727 6.456 1.00 0.00 C ATOM 1206 CD1 TRP A 82 -0.767 -4.845 5.856 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -0.291 -4.000 7.887 1.00 0.00 C ATOM 1208 NE1 TRP A 82 -1.051 -5.786 6.828 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.774 -5.313 8.097 1.00 0.00 C ATOM 1210 CE3 TRP A 82 0.083 -3.243 9.013 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -0.883 -5.857 9.377 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -0.025 -3.788 10.303 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -0.507 -5.092 10.484 1.00 0.00 C ATOM 0 H TRP A 82 1.936 -1.700 3.489 1.00 0.00 H new ATOM 0 HA TRP A 82 2.178 -2.470 6.335 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.080 -1.609 6.363 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.461 -2.362 4.827 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.899 -4.980 4.793 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -1.420 -6.717 6.633 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.455 -2.237 8.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.255 -6.862 9.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 0.265 -3.199 11.161 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.588 -5.505 11.479 1.00 0.00 H new ATOM 1224 N CYS A 83 2.898 -4.582 5.187 1.00 0.00 N ATOM 1225 CA CYS A 83 3.260 -5.862 4.537 1.00 0.00 C ATOM 1226 C CYS A 83 2.564 -7.019 5.241 1.00 0.00 C ATOM 1227 O CYS A 83 2.930 -7.381 6.330 1.00 0.00 O ATOM 1228 CB CYS A 83 4.772 -6.059 4.643 1.00 0.00 C ATOM 1229 SG CYS A 83 5.380 -6.848 3.139 1.00 0.00 S ATOM 0 H CYS A 83 3.463 -4.330 5.998 1.00 0.00 H new ATOM 0 HA CYS A 83 2.950 -5.836 3.492 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.266 -5.098 4.788 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.010 -6.674 5.511 1.00 0.00 H new ATOM 1234 N TYR A 84 1.590 -7.629 4.629 1.00 0.00 N ATOM 1235 CA TYR A 84 0.946 -8.787 5.302 1.00 0.00 C ATOM 1236 C TYR A 84 1.976 -9.912 5.326 1.00 0.00 C ATOM 1237 O TYR A 84 1.729 -11.000 5.806 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.307 -9.230 4.534 1.00 0.00 C ATOM 1239 CG TYR A 84 -1.193 -10.050 5.442 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -2.026 -9.415 6.371 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.179 -11.448 5.355 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -2.845 -10.178 7.213 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -1.998 -12.209 6.196 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.831 -11.575 7.125 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.640 -12.326 7.954 1.00 0.00 O ATOM 0 H TYR A 84 1.218 -7.383 3.712 1.00 0.00 H new ATOM 0 HA TYR A 84 0.631 -8.521 6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.850 -8.358 4.170 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.022 -9.816 3.660 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.037 -8.337 6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.536 -11.938 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.487 -9.689 7.930 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.987 -13.287 6.128 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.510 -13.278 7.763 1.00 0.00 H new ATOM 1255 N ALA A 85 3.156 -9.625 4.831 1.00 0.00 N ATOM 1256 CA ALA A 85 4.249 -10.629 4.837 1.00 0.00 C ATOM 1257 C ALA A 85 5.150 -10.286 6.018 1.00 0.00 C ATOM 1258 O ALA A 85 5.140 -10.956 7.032 1.00 0.00 O ATOM 1259 CB ALA A 85 5.051 -10.556 3.536 1.00 0.00 C ATOM 0 H ALA A 85 3.404 -8.725 4.420 1.00 0.00 H new ATOM 0 HA ALA A 85 3.846 -11.638 4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.848 -11.299 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.392 -10.755 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.485 -9.562 3.431 1.00 0.00 H new ATOM 1265 N CYS A 86 5.887 -9.206 5.927 1.00 0.00 N ATOM 1266 CA CYS A 86 6.716 -8.799 7.079 1.00 0.00 C ATOM 1267 C CYS A 86 5.730 -8.493 8.194 1.00 0.00 C ATOM 1268 O CYS A 86 6.079 -8.341 9.348 1.00 0.00 O ATOM 1269 CB CYS A 86 7.522 -7.542 6.728 1.00 0.00 C ATOM 1270 SG CYS A 86 8.485 -7.833 5.223 1.00 0.00 S ATOM 0 H CYS A 86 5.944 -8.600 5.108 1.00 0.00 H new ATOM 0 HA CYS A 86 7.428 -9.573 7.365 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.850 -6.696 6.583 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.187 -7.283 7.552 1.00 0.00 H new ATOM 1275 N GLU A 87 4.480 -8.413 7.823 1.00 0.00 N ATOM 1276 CA GLU A 87 3.401 -8.130 8.799 1.00 0.00 C ATOM 1277 C GLU A 87 3.795 -6.926 9.659 1.00 0.00 C ATOM 1278 O GLU A 87 3.953 -7.017 10.860 1.00 0.00 O ATOM 1279 CB GLU A 87 3.174 -9.383 9.648 1.00 0.00 C ATOM 1280 CG GLU A 87 1.742 -9.892 9.459 1.00 0.00 C ATOM 1281 CD GLU A 87 0.768 -8.963 10.185 1.00 0.00 C ATOM 1282 OE1 GLU A 87 1.194 -7.897 10.597 1.00 0.00 O ATOM 1283 OE2 GLU A 87 -0.387 -9.334 10.316 1.00 0.00 O ATOM 0 H GLU A 87 4.160 -8.535 6.862 1.00 0.00 H new ATOM 0 HA GLU A 87 2.470 -7.882 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.885 -10.159 9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.353 -9.157 10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.497 -9.934 8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.651 -10.906 9.848 1.00 0.00 H new ATOM 1290 N LYS A 88 3.947 -5.789 9.035 1.00 0.00 N ATOM 1291 CA LYS A 88 4.322 -4.559 9.786 1.00 0.00 C ATOM 1292 C LYS A 88 3.994 -3.337 8.927 1.00 0.00 C ATOM 1293 O LYS A 88 3.462 -3.460 7.844 1.00 0.00 O ATOM 1294 CB LYS A 88 5.821 -4.579 10.087 1.00 0.00 C ATOM 1295 CG LYS A 88 6.575 -5.048 8.845 1.00 0.00 C ATOM 1296 CD LYS A 88 8.079 -4.831 9.041 1.00 0.00 C ATOM 1297 CE LYS A 88 8.593 -5.738 10.164 1.00 0.00 C ATOM 1298 NZ LYS A 88 8.460 -5.035 11.471 1.00 0.00 N ATOM 0 H LYS A 88 3.826 -5.660 8.030 1.00 0.00 H new ATOM 0 HA LYS A 88 3.768 -4.516 10.723 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.159 -3.585 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.027 -5.244 10.925 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.371 -6.103 8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.230 -4.499 7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.611 -5.047 8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.276 -3.787 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.027 -6.670 10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.636 -6.001 9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.390 -4.982 11.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.097 -4.073 11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.800 -5.558 12.081 1.00 0.00 H new ATOM 1312 N GLU A 89 4.315 -2.163 9.398 1.00 0.00 N ATOM 1313 CA GLU A 89 4.029 -0.925 8.610 1.00 0.00 C ATOM 1314 C GLU A 89 5.355 -0.335 8.125 1.00 0.00 C ATOM 1315 O GLU A 89 6.357 -0.410 8.809 1.00 0.00 O ATOM 1316 CB GLU A 89 3.301 0.088 9.509 1.00 0.00 C ATOM 1317 CG GLU A 89 2.022 0.583 8.821 1.00 0.00 C ATOM 1318 CD GLU A 89 1.069 1.160 9.872 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -0.021 0.631 10.008 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.447 2.121 10.521 1.00 0.00 O ATOM 0 H GLU A 89 4.766 -2.005 10.299 1.00 0.00 H new ATOM 0 HA GLU A 89 3.398 -1.158 7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.053 -0.375 10.464 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.957 0.932 9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.266 1.343 8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.541 -0.238 8.290 1.00 0.00 H new ATOM 1327 N VAL A 90 5.388 0.243 6.950 1.00 0.00 N ATOM 1328 CA VAL A 90 6.674 0.813 6.460 1.00 0.00 C ATOM 1329 C VAL A 90 6.400 2.008 5.540 1.00 0.00 C ATOM 1330 O VAL A 90 5.429 2.047 4.822 1.00 0.00 O ATOM 1331 CB VAL A 90 7.459 -0.277 5.701 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.492 -0.915 6.636 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.492 -1.361 5.212 1.00 0.00 C ATOM 0 H VAL A 90 4.592 0.343 6.320 1.00 0.00 H new ATOM 0 HA VAL A 90 7.266 1.157 7.308 1.00 0.00 H new ATOM 0 HB VAL A 90 7.966 0.177 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.045 -1.684 6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.184 -0.151 6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.983 -1.364 7.488 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.048 -2.130 4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.985 -1.809 6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.754 -0.916 4.545 1.00 0.00 H new ATOM 1343 N PHE A 91 7.259 2.984 5.567 1.00 0.00 N ATOM 1344 CA PHE A 91 7.076 4.184 4.705 1.00 0.00 C ATOM 1345 C PHE A 91 8.030 4.096 3.529 1.00 0.00 C ATOM 1346 O PHE A 91 8.932 3.281 3.513 1.00 0.00 O ATOM 1347 CB PHE A 91 7.432 5.450 5.479 1.00 0.00 C ATOM 1348 CG PHE A 91 6.502 5.615 6.658 1.00 0.00 C ATOM 1349 CD1 PHE A 91 6.598 4.748 7.753 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.546 6.639 6.658 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.738 4.904 8.847 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.687 6.795 7.753 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.782 5.927 8.847 1.00 0.00 C ATOM 0 H PHE A 91 8.091 3.003 6.157 1.00 0.00 H new ATOM 0 HA PHE A 91 6.037 4.220 4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.464 5.396 5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.360 6.319 4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.335 3.959 7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.471 7.308 5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.812 4.235 9.691 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.951 7.585 7.753 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.118 6.046 9.691 1.00 0.00 H new ATOM 1363 N LEU A 92 7.867 4.946 2.559 1.00 0.00 N ATOM 1364 CA LEU A 92 8.801 4.918 1.414 1.00 0.00 C ATOM 1365 C LEU A 92 10.218 4.873 1.982 1.00 0.00 C ATOM 1366 O LEU A 92 10.494 5.427 3.028 1.00 0.00 O ATOM 1367 CB LEU A 92 8.624 6.182 0.565 1.00 0.00 C ATOM 1368 CG LEU A 92 7.397 6.039 -0.346 1.00 0.00 C ATOM 1369 CD1 LEU A 92 7.643 4.953 -1.402 1.00 0.00 C ATOM 1370 CD2 LEU A 92 6.175 5.666 0.499 1.00 0.00 C ATOM 0 H LEU A 92 7.133 5.652 2.512 1.00 0.00 H new ATOM 0 HA LEU A 92 8.609 4.051 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.506 7.051 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.516 6.352 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 92 7.218 6.988 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.765 4.862 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.507 5.224 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.832 4.000 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.303 5.564 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.360 4.721 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.991 6.447 1.237 1.00 0.00 H new ATOM 1382 N GLU A 93 11.104 4.205 1.317 1.00 0.00 N ATOM 1383 CA GLU A 93 12.506 4.100 1.813 1.00 0.00 C ATOM 1384 C GLU A 93 13.049 5.485 2.198 1.00 0.00 C ATOM 1385 O GLU A 93 14.186 5.620 2.602 1.00 0.00 O ATOM 1386 CB GLU A 93 13.381 3.490 0.715 1.00 0.00 C ATOM 1387 CG GLU A 93 13.101 4.194 -0.625 1.00 0.00 C ATOM 1388 CD GLU A 93 12.711 3.159 -1.685 1.00 0.00 C ATOM 1389 OE1 GLU A 93 11.825 2.366 -1.411 1.00 0.00 O ATOM 1390 OE2 GLU A 93 13.304 3.179 -2.751 1.00 0.00 O ATOM 0 H GLU A 93 10.921 3.719 0.439 1.00 0.00 H new ATOM 0 HA GLU A 93 12.523 3.465 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.434 3.593 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.177 2.423 0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.299 4.922 -0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.985 4.744 -0.949 1.00 0.00 H new ATOM 1397 N GLN A 94 12.244 6.510 2.088 1.00 0.00 N ATOM 1398 CA GLN A 94 12.705 7.882 2.460 1.00 0.00 C ATOM 1399 C GLN A 94 13.848 8.334 1.546 1.00 0.00 C ATOM 1400 O GLN A 94 14.088 9.514 1.388 1.00 0.00 O ATOM 1401 CB GLN A 94 13.183 7.888 3.914 1.00 0.00 C ATOM 1402 CG GLN A 94 12.195 7.105 4.782 1.00 0.00 C ATOM 1403 CD GLN A 94 12.470 7.397 6.258 1.00 0.00 C ATOM 1404 OE1 GLN A 94 12.674 6.491 7.041 1.00 0.00 O ATOM 1405 NE2 GLN A 94 12.483 8.634 6.675 1.00 0.00 N ATOM 0 H GLN A 94 11.282 6.456 1.755 1.00 0.00 H new ATOM 0 HA GLN A 94 11.869 8.572 2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.176 7.443 3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.268 8.913 4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.172 7.384 4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.291 6.037 4.588 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.312 9.395 6.018 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.664 8.839 7.658 1.00 0.00 H new ATOM 1414 N ARG A 95 14.561 7.418 0.946 1.00 0.00 N ATOM 1415 CA ARG A 95 15.684 7.824 0.053 1.00 0.00 C ATOM 1416 C ARG A 95 15.205 8.940 -0.877 1.00 0.00 C ATOM 1417 O ARG A 95 15.959 9.812 -1.260 1.00 0.00 O ATOM 1418 CB ARG A 95 16.159 6.606 -0.763 1.00 0.00 C ATOM 1419 CG ARG A 95 15.421 6.521 -2.111 1.00 0.00 C ATOM 1420 CD ARG A 95 16.051 7.479 -3.135 1.00 0.00 C ATOM 1421 NE ARG A 95 16.710 6.687 -4.211 1.00 0.00 N ATOM 1422 CZ ARG A 95 17.042 7.263 -5.335 1.00 0.00 C ATOM 1423 NH1 ARG A 95 17.620 6.571 -6.277 1.00 0.00 N ATOM 1424 NH2 ARG A 95 16.795 8.532 -5.514 1.00 0.00 N ATOM 0 H ARG A 95 14.415 6.412 1.035 1.00 0.00 H new ATOM 0 HA ARG A 95 16.521 8.192 0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 95 17.233 6.677 -0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.988 5.693 -0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.460 5.499 -2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.369 6.770 -1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.286 8.128 -3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.780 8.125 -2.645 1.00 0.00 H new ATOM 0 HE ARG A 95 16.902 5.695 -4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.813 5.579 -6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 95 17.879 7.021 -7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 95 16.343 9.073 -4.776 1.00 0.00 H new ATOM 0 HH22 ARG A 95 17.054 8.983 -6.391 1.00 0.00 H new ATOM 1438 N LEU A 96 13.954 8.912 -1.242 1.00 0.00 N ATOM 1439 CA LEU A 96 13.412 9.965 -2.150 1.00 0.00 C ATOM 1440 C LEU A 96 12.672 11.019 -1.328 1.00 0.00 C ATOM 1441 O LEU A 96 12.555 10.915 -0.124 1.00 0.00 O ATOM 1442 CB LEU A 96 12.445 9.329 -3.155 1.00 0.00 C ATOM 1443 CG LEU A 96 11.338 8.553 -2.413 1.00 0.00 C ATOM 1444 CD1 LEU A 96 10.066 9.402 -2.334 1.00 0.00 C ATOM 1445 CD2 LEU A 96 11.028 7.256 -3.168 1.00 0.00 C ATOM 0 H LEU A 96 13.280 8.204 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 96 14.235 10.436 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.000 10.102 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.989 8.656 -3.818 1.00 0.00 H new ATOM 0 HG LEU A 96 11.682 8.322 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.290 8.846 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.278 10.326 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.724 9.639 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.246 6.708 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.690 7.494 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.927 6.642 -3.222 1.00 0.00 H new ATOM 1457 N ALA A 97 12.173 12.035 -1.974 1.00 0.00 N ATOM 1458 CA ALA A 97 11.439 13.101 -1.236 1.00 0.00 C ATOM 1459 C ALA A 97 10.830 14.086 -2.235 1.00 0.00 C ATOM 1460 O ALA A 97 11.394 14.356 -3.277 1.00 0.00 O ATOM 1461 CB ALA A 97 12.408 13.843 -0.314 1.00 0.00 C ATOM 0 H ALA A 97 12.242 12.174 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 97 10.645 12.650 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.871 14.623 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.842 13.141 0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.202 14.294 -0.908 1.00 0.00 H new ATOM 1467 N ALA A 98 9.682 14.625 -1.928 1.00 0.00 N ATOM 1468 CA ALA A 98 9.038 15.592 -2.862 1.00 0.00 C ATOM 1469 C ALA A 98 8.068 16.483 -2.084 1.00 0.00 C ATOM 1470 O ALA A 98 6.868 16.410 -2.261 1.00 0.00 O ATOM 1471 CB ALA A 98 8.272 14.824 -3.942 1.00 0.00 C ATOM 0 H ALA A 98 9.162 14.438 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 98 9.803 16.211 -3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.801 15.530 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.963 14.189 -4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.506 14.205 -3.474 1.00 0.00 H new ATOM 1477 N PRO A 99 8.590 17.320 -1.228 1.00 0.00 N ATOM 1478 CA PRO A 99 7.766 18.248 -0.400 1.00 0.00 C ATOM 1479 C PRO A 99 6.711 18.984 -1.231 1.00 0.00 C ATOM 1480 O PRO A 99 5.616 19.173 -0.729 1.00 0.00 O ATOM 1481 CB PRO A 99 8.793 19.232 0.166 1.00 0.00 C ATOM 1482 CG PRO A 99 10.083 18.477 0.199 1.00 0.00 C ATOM 1483 CD PRO A 99 10.028 17.471 -0.954 1.00 0.00 C ATOM 1484 OXT PRO A 99 7.018 19.347 -2.355 1.00 0.00 O ATOM 0 HA PRO A 99 7.202 17.719 0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 99 8.873 20.121 -0.460 1.00 0.00 H new ATOM 0 HB3 PRO A 99 8.508 19.568 1.163 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.931 19.152 0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.209 17.966 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.565 17.838 -1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.483 16.520 -0.676 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 7.648 -7.163 3.169 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -12.936 -3.129 -0.028 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -3.005 -6.845 -4.849 1.00 0.00 ZN