USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 738 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 91 HIS HD1 : A 91 HIS ND1 : A 601 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 0.642 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -0.352 X(o=-0.35,f=-0.18) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= -0.0937 (180deg=-0.982) USER MOD Single : A 26 ASN : amide:sc= -0.148 K(o=-0.15,f=-2!) USER MOD Single : A 30 HIS : no HE2:sc= -1.74! C(o=-1.7!,f=-4.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00164 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -3.16 K(o=-3.2,f=-0.75) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00663 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.277 K(o=-0.28,f=-2.3) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0066 K(o=-0.0066,f=-0.59) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 177:sc= -1.21 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.866) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 164:sc= -0.0168 (180deg=-0.258) USER MOD Single : A 81 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.8!) USER MOD Single : A 82 ASN : amide:sc= -7.54! C(o=-7.5!,f=-9.6!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.995 30.076 -22.815 1.00 0.00 N ATOM 2 CA GLY A 1 -3.768 29.747 -22.113 1.00 0.00 C ATOM 3 C GLY A 1 -3.844 28.406 -21.411 1.00 0.00 C ATOM 4 O GLY A 1 -3.242 27.429 -21.858 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.892 31.001 -23.278 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.190 29.349 -23.533 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.783 30.113 -22.138 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.939 29.737 -22.821 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.552 30.525 -21.381 1.00 0.00 H new ATOM 8 N SER A 2 -4.584 28.357 -20.308 1.00 0.00 N ATOM 9 CA SER A 2 -4.731 27.126 -19.541 1.00 0.00 C ATOM 10 C SER A 2 -5.733 26.187 -20.206 1.00 0.00 C ATOM 11 O SER A 2 -6.936 26.267 -19.956 1.00 0.00 O ATOM 12 CB SER A 2 -5.181 27.441 -18.113 1.00 0.00 C ATOM 13 OG SER A 2 -6.381 28.195 -18.111 1.00 0.00 O ATOM 0 H SER A 2 -5.091 29.155 -19.926 1.00 0.00 H new ATOM 0 HA SER A 2 -3.761 26.630 -19.508 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.330 26.512 -17.562 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.398 27.996 -17.596 1.00 0.00 H new ATOM 0 HG SER A 2 -7.013 27.805 -18.750 1.00 0.00 H new ATOM 19 N SER A 3 -5.228 25.298 -21.054 1.00 0.00 N ATOM 20 CA SER A 3 -6.077 24.345 -21.759 1.00 0.00 C ATOM 21 C SER A 3 -6.114 23.006 -21.030 1.00 0.00 C ATOM 22 O SER A 3 -5.202 22.191 -21.159 1.00 0.00 O ATOM 23 CB SER A 3 -5.577 24.145 -23.191 1.00 0.00 C ATOM 24 OG SER A 3 -6.238 23.059 -23.816 1.00 0.00 O ATOM 0 H SER A 3 -4.234 25.217 -21.270 1.00 0.00 H new ATOM 0 HA SER A 3 -7.088 24.751 -21.788 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.742 25.055 -23.767 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.502 23.964 -23.182 1.00 0.00 H new ATOM 0 HG SER A 3 -5.901 22.954 -24.730 1.00 0.00 H new ATOM 30 N GLY A 4 -7.177 22.786 -20.262 1.00 0.00 N ATOM 31 CA GLY A 4 -7.314 21.545 -19.522 1.00 0.00 C ATOM 32 C GLY A 4 -6.549 21.562 -18.214 1.00 0.00 C ATOM 33 O GLY A 4 -5.604 22.335 -18.049 1.00 0.00 O ATOM 0 H GLY A 4 -7.946 23.445 -20.139 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.369 21.361 -19.320 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.958 20.718 -20.137 1.00 0.00 H new ATOM 37 N SER A 5 -6.957 20.709 -17.280 1.00 0.00 N ATOM 38 CA SER A 5 -6.306 20.634 -15.977 1.00 0.00 C ATOM 39 C SER A 5 -5.362 19.437 -15.910 1.00 0.00 C ATOM 40 O SER A 5 -5.410 18.546 -16.758 1.00 0.00 O ATOM 41 CB SER A 5 -7.353 20.534 -14.866 1.00 0.00 C ATOM 42 OG SER A 5 -7.844 19.210 -14.744 1.00 0.00 O ATOM 0 H SER A 5 -7.735 20.060 -17.401 1.00 0.00 H new ATOM 0 HA SER A 5 -5.722 21.544 -15.837 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.915 20.851 -13.920 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.179 21.213 -15.078 1.00 0.00 H new ATOM 0 HG SER A 5 -8.510 19.173 -14.026 1.00 0.00 H new ATOM 48 N SER A 6 -4.504 19.425 -14.895 1.00 0.00 N ATOM 49 CA SER A 6 -3.545 18.340 -14.719 1.00 0.00 C ATOM 50 C SER A 6 -3.588 17.805 -13.291 1.00 0.00 C ATOM 51 O SER A 6 -2.551 17.607 -12.659 1.00 0.00 O ATOM 52 CB SER A 6 -2.131 18.822 -15.053 1.00 0.00 C ATOM 53 OG SER A 6 -2.039 19.231 -16.406 1.00 0.00 O ATOM 0 H SER A 6 -4.453 20.153 -14.183 1.00 0.00 H new ATOM 0 HA SER A 6 -3.816 17.533 -15.400 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.862 19.652 -14.400 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.416 18.022 -14.862 1.00 0.00 H new ATOM 0 HG SER A 6 -1.127 19.536 -16.594 1.00 0.00 H new ATOM 59 N GLY A 7 -4.797 17.572 -12.789 1.00 0.00 N ATOM 60 CA GLY A 7 -4.954 17.061 -11.439 1.00 0.00 C ATOM 61 C GLY A 7 -4.811 15.554 -11.369 1.00 0.00 C ATOM 62 O GLY A 7 -4.472 14.908 -12.362 1.00 0.00 O ATOM 0 H GLY A 7 -5.670 17.728 -13.293 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.211 17.524 -10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.934 17.348 -11.057 1.00 0.00 H new ATOM 66 N CYS A 8 -5.070 14.991 -10.194 1.00 0.00 N ATOM 67 CA CYS A 8 -4.967 13.550 -9.997 1.00 0.00 C ATOM 68 C CYS A 8 -6.287 12.860 -10.327 1.00 0.00 C ATOM 69 O CYS A 8 -7.363 13.424 -10.125 1.00 0.00 O ATOM 70 CB CYS A 8 -4.563 13.239 -8.554 1.00 0.00 C ATOM 71 SG CYS A 8 -4.137 11.492 -8.261 1.00 0.00 S ATOM 0 H CYS A 8 -5.353 15.511 -9.363 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.200 13.170 -10.672 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.709 13.860 -8.285 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.381 13.518 -7.891 1.00 0.00 H new ATOM 76 N VAL A 9 -6.198 11.635 -10.836 1.00 0.00 N ATOM 77 CA VAL A 9 -7.384 10.867 -11.193 1.00 0.00 C ATOM 78 C VAL A 9 -7.752 9.880 -10.091 1.00 0.00 C ATOM 79 O VAL A 9 -8.901 9.451 -9.987 1.00 0.00 O ATOM 80 CB VAL A 9 -7.178 10.095 -12.510 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.715 11.035 -13.613 1.00 0.00 C ATOM 82 CG2 VAL A 9 -6.182 8.961 -12.312 1.00 0.00 C ATOM 0 H VAL A 9 -5.316 11.153 -11.010 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.196 11.582 -11.323 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.132 9.662 -12.811 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.575 10.472 -14.536 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.466 11.809 -13.771 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.772 11.499 -13.324 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.048 8.426 -13.252 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.225 9.370 -11.988 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.559 8.274 -11.554 1.00 0.00 H new ATOM 92 N GLU A 10 -6.770 9.525 -9.269 1.00 0.00 N ATOM 93 CA GLU A 10 -6.991 8.588 -8.174 1.00 0.00 C ATOM 94 C GLU A 10 -7.787 9.245 -7.049 1.00 0.00 C ATOM 95 O GLU A 10 -8.834 8.743 -6.639 1.00 0.00 O ATOM 96 CB GLU A 10 -5.655 8.074 -7.635 1.00 0.00 C ATOM 97 CG GLU A 10 -5.723 6.657 -7.090 1.00 0.00 C ATOM 98 CD GLU A 10 -4.352 6.068 -6.822 1.00 0.00 C ATOM 99 OE1 GLU A 10 -3.445 6.277 -7.655 1.00 0.00 O ATOM 100 OE2 GLU A 10 -4.186 5.400 -5.781 1.00 0.00 O ATOM 0 H GLU A 10 -5.814 9.872 -9.341 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.566 7.746 -8.560 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.912 8.112 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.310 8.742 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.302 6.654 -6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.254 6.024 -7.801 1.00 0.00 H new ATOM 107 N CYS A 11 -7.282 10.370 -6.554 1.00 0.00 N ATOM 108 CA CYS A 11 -7.943 11.096 -5.476 1.00 0.00 C ATOM 109 C CYS A 11 -8.778 12.248 -6.029 1.00 0.00 C ATOM 110 O CYS A 11 -9.453 12.953 -5.279 1.00 0.00 O ATOM 111 CB CYS A 11 -6.909 11.631 -4.484 1.00 0.00 C ATOM 112 SG CYS A 11 -5.602 12.645 -5.248 1.00 0.00 S ATOM 0 H CYS A 11 -6.417 10.799 -6.882 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.608 10.404 -4.959 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.421 12.226 -3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.447 10.789 -3.968 1.00 0.00 H new ATOM 117 N ARG A 12 -8.727 12.431 -7.344 1.00 0.00 N ATOM 118 CA ARG A 12 -9.477 13.497 -7.997 1.00 0.00 C ATOM 119 C ARG A 12 -9.166 14.849 -7.361 1.00 0.00 C ATOM 120 O ARG A 12 -10.015 15.740 -7.322 1.00 0.00 O ATOM 121 CB ARG A 12 -10.979 13.217 -7.915 1.00 0.00 C ATOM 122 CG ARG A 12 -11.460 12.181 -8.917 1.00 0.00 C ATOM 123 CD ARG A 12 -11.282 10.767 -8.385 1.00 0.00 C ATOM 124 NE ARG A 12 -12.361 10.382 -7.479 1.00 0.00 N ATOM 125 CZ ARG A 12 -12.532 9.146 -7.024 1.00 0.00 C ATOM 126 NH1 ARG A 12 -11.700 8.181 -7.387 1.00 0.00 N ATOM 127 NH2 ARG A 12 -13.538 8.875 -6.202 1.00 0.00 N ATOM 0 H ARG A 12 -8.174 11.855 -7.978 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.177 13.529 -9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.222 12.877 -6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.523 14.147 -8.077 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.511 12.355 -9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.908 12.292 -9.850 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.244 10.068 -9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.328 10.694 -7.864 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.019 11.102 -7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.925 8.386 -8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.834 7.233 -7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.180 9.616 -5.920 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.669 7.926 -5.852 1.00 0.00 H new ATOM 141 N LYS A 13 -7.942 14.995 -6.863 1.00 0.00 N ATOM 142 CA LYS A 13 -7.517 16.237 -6.230 1.00 0.00 C ATOM 143 C LYS A 13 -6.532 16.991 -7.117 1.00 0.00 C ATOM 144 O LYS A 13 -5.864 16.413 -7.975 1.00 0.00 O ATOM 145 CB LYS A 13 -6.876 15.948 -4.870 1.00 0.00 C ATOM 146 CG LYS A 13 -7.875 15.532 -3.804 1.00 0.00 C ATOM 147 CD LYS A 13 -7.287 15.661 -2.409 1.00 0.00 C ATOM 148 CE LYS A 13 -7.869 14.624 -1.460 1.00 0.00 C ATOM 149 NZ LYS A 13 -9.220 15.015 -0.971 1.00 0.00 N ATOM 0 H LYS A 13 -7.227 14.268 -6.886 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.399 16.861 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.133 15.159 -4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.345 16.838 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.770 16.150 -3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.184 14.501 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.204 15.544 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.483 16.661 -2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.931 13.662 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.199 14.493 -0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.582 14.283 -0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.157 15.921 -0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.866 15.115 -1.780 1.00 0.00 H new ATOM 163 N PRO A 14 -6.436 18.313 -6.907 1.00 0.00 N ATOM 164 CA PRO A 14 -5.533 19.173 -7.677 1.00 0.00 C ATOM 165 C PRO A 14 -4.066 18.916 -7.349 1.00 0.00 C ATOM 166 O PRO A 14 -3.711 18.682 -6.193 1.00 0.00 O ATOM 167 CB PRO A 14 -5.937 20.586 -7.248 1.00 0.00 C ATOM 168 CG PRO A 14 -6.531 20.414 -5.893 1.00 0.00 C ATOM 169 CD PRO A 14 -7.201 19.068 -5.902 1.00 0.00 C ATOM 0 HA PRO A 14 -5.619 18.997 -8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.076 21.253 -7.221 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.655 21.021 -7.943 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.763 20.462 -5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.249 21.206 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.158 18.591 -4.923 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.254 19.145 -6.173 1.00 0.00 H new ATOM 177 N ILE A 15 -3.219 18.961 -8.371 1.00 0.00 N ATOM 178 CA ILE A 15 -1.791 18.734 -8.190 1.00 0.00 C ATOM 179 C ILE A 15 -1.002 20.028 -8.361 1.00 0.00 C ATOM 180 O ILE A 15 -1.322 20.853 -9.216 1.00 0.00 O ATOM 181 CB ILE A 15 -1.257 17.685 -9.183 1.00 0.00 C ATOM 182 CG1 ILE A 15 -1.970 16.347 -8.978 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.247 17.519 -9.021 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.706 15.346 -10.081 1.00 0.00 C ATOM 0 H ILE A 15 -3.497 19.153 -9.333 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.657 18.362 -7.174 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.458 18.031 -10.197 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.655 15.919 -8.027 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.043 16.524 -8.908 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.609 16.774 -9.730 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.741 18.472 -9.212 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.470 17.192 -8.005 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.243 14.421 -9.869 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.047 15.754 -11.032 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.637 15.140 -10.137 1.00 0.00 H new ATOM 196 N GLY A 16 0.032 20.197 -7.543 1.00 0.00 N ATOM 197 CA GLY A 16 0.852 21.392 -7.621 1.00 0.00 C ATOM 198 C GLY A 16 2.151 21.156 -8.366 1.00 0.00 C ATOM 199 O GLY A 16 2.552 20.013 -8.580 1.00 0.00 O ATOM 0 H GLY A 16 0.317 19.528 -6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.290 22.183 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.073 21.743 -6.613 1.00 0.00 H new ATOM 203 N ALA A 17 2.809 22.240 -8.763 1.00 0.00 N ATOM 204 CA ALA A 17 4.070 22.146 -9.487 1.00 0.00 C ATOM 205 C ALA A 17 5.170 21.569 -8.602 1.00 0.00 C ATOM 206 O ALA A 17 5.887 20.653 -9.004 1.00 0.00 O ATOM 207 CB ALA A 17 4.478 23.513 -10.016 1.00 0.00 C ATOM 0 H ALA A 17 2.489 23.194 -8.595 1.00 0.00 H new ATOM 0 HA ALA A 17 3.927 21.470 -10.330 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.422 23.428 -10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.708 23.887 -10.690 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.597 24.205 -9.182 1.00 0.00 H new ATOM 213 N ASP A 18 5.298 22.112 -7.396 1.00 0.00 N ATOM 214 CA ASP A 18 6.311 21.651 -6.454 1.00 0.00 C ATOM 215 C ASP A 18 6.135 20.166 -6.151 1.00 0.00 C ATOM 216 O ASP A 18 7.113 19.438 -5.980 1.00 0.00 O ATOM 217 CB ASP A 18 6.238 22.460 -5.158 1.00 0.00 C ATOM 218 CG ASP A 18 6.163 23.953 -5.411 1.00 0.00 C ATOM 219 OD1 ASP A 18 7.005 24.469 -6.176 1.00 0.00 O ATOM 220 OD2 ASP A 18 5.260 24.605 -4.846 1.00 0.00 O ATOM 0 H ASP A 18 4.713 22.872 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 18 7.290 21.797 -6.910 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.364 22.147 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.114 22.242 -4.547 1.00 0.00 H new ATOM 225 N SER A 19 4.883 19.724 -6.085 1.00 0.00 N ATOM 226 CA SER A 19 4.580 18.328 -5.798 1.00 0.00 C ATOM 227 C SER A 19 4.989 17.432 -6.964 1.00 0.00 C ATOM 228 O SER A 19 4.642 17.695 -8.116 1.00 0.00 O ATOM 229 CB SER A 19 3.087 18.157 -5.509 1.00 0.00 C ATOM 230 OG SER A 19 2.814 18.318 -4.127 1.00 0.00 O ATOM 0 H SER A 19 4.062 20.313 -6.227 1.00 0.00 H new ATOM 0 HA SER A 19 5.150 18.032 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.516 18.887 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.761 17.169 -5.835 1.00 0.00 H new ATOM 0 HG SER A 19 1.853 18.206 -3.968 1.00 0.00 H new ATOM 236 N LYS A 20 5.728 16.372 -6.656 1.00 0.00 N ATOM 237 CA LYS A 20 6.185 15.435 -7.675 1.00 0.00 C ATOM 238 C LYS A 20 5.012 14.657 -8.264 1.00 0.00 C ATOM 239 O LYS A 20 4.474 13.752 -7.627 1.00 0.00 O ATOM 240 CB LYS A 20 7.209 14.464 -7.083 1.00 0.00 C ATOM 241 CG LYS A 20 8.632 14.995 -7.102 1.00 0.00 C ATOM 242 CD LYS A 20 9.641 13.896 -6.810 1.00 0.00 C ATOM 243 CE LYS A 20 10.910 14.456 -6.186 1.00 0.00 C ATOM 244 NZ LYS A 20 11.673 15.302 -7.145 1.00 0.00 N ATOM 0 H LYS A 20 6.024 16.140 -5.708 1.00 0.00 H new ATOM 0 HA LYS A 20 6.656 16.008 -8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.929 14.236 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.172 13.527 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.844 15.435 -8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.735 15.790 -6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.197 13.162 -6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.889 13.373 -7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.652 15.046 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.540 13.635 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.531 15.665 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.941 14.733 -7.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.081 16.100 -7.451 1.00 0.00 H new ATOM 258 N GLU A 21 4.623 15.015 -9.484 1.00 0.00 N ATOM 259 CA GLU A 21 3.514 14.349 -10.157 1.00 0.00 C ATOM 260 C GLU A 21 4.025 13.391 -11.229 1.00 0.00 C ATOM 261 O GLU A 21 5.107 13.583 -11.785 1.00 0.00 O ATOM 262 CB GLU A 21 2.576 15.381 -10.786 1.00 0.00 C ATOM 263 CG GLU A 21 3.134 16.023 -12.045 1.00 0.00 C ATOM 264 CD GLU A 21 3.920 17.287 -11.756 1.00 0.00 C ATOM 265 OE1 GLU A 21 4.811 17.246 -10.882 1.00 0.00 O ATOM 266 OE2 GLU A 21 3.645 18.318 -12.406 1.00 0.00 O ATOM 0 H GLU A 21 5.059 15.761 -10.026 1.00 0.00 H new ATOM 0 HA GLU A 21 2.963 13.774 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.627 14.900 -11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.364 16.160 -10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.778 15.309 -12.558 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.314 16.257 -12.723 1.00 0.00 H new ATOM 273 N VAL A 22 3.240 12.357 -11.513 1.00 0.00 N ATOM 274 CA VAL A 22 3.611 11.368 -12.518 1.00 0.00 C ATOM 275 C VAL A 22 2.652 11.401 -13.702 1.00 0.00 C ATOM 276 O VAL A 22 1.527 10.907 -13.618 1.00 0.00 O ATOM 277 CB VAL A 22 3.631 9.946 -11.926 1.00 0.00 C ATOM 278 CG1 VAL A 22 4.080 8.938 -12.973 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.530 9.892 -10.701 1.00 0.00 C ATOM 0 H VAL A 22 2.342 12.182 -11.061 1.00 0.00 H new ATOM 0 HA VAL A 22 4.614 11.625 -12.860 1.00 0.00 H new ATOM 0 HB VAL A 22 2.619 9.685 -11.617 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.088 7.939 -12.537 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.391 8.959 -13.818 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.083 9.192 -13.316 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.532 8.880 -10.296 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.545 10.173 -10.982 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.158 10.584 -9.946 1.00 0.00 H new ATOM 289 N HIS A 23 3.104 11.985 -14.807 1.00 0.00 N ATOM 290 CA HIS A 23 2.286 12.082 -16.011 1.00 0.00 C ATOM 291 C HIS A 23 2.475 10.854 -16.896 1.00 0.00 C ATOM 292 O HIS A 23 3.574 10.592 -17.387 1.00 0.00 O ATOM 293 CB HIS A 23 2.639 13.347 -16.793 1.00 0.00 C ATOM 294 CG HIS A 23 2.065 13.377 -18.176 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.840 13.495 -19.310 1.00 0.00 N ATOM 296 CD2 HIS A 23 0.784 13.300 -18.604 1.00 0.00 C ATOM 297 CE1 HIS A 23 2.060 13.492 -20.376 1.00 0.00 C ATOM 298 NE2 HIS A 23 0.807 13.374 -19.975 1.00 0.00 N ATOM 0 H HIS A 23 4.032 12.398 -14.894 1.00 0.00 H new ATOM 0 HA HIS A 23 1.241 12.132 -15.707 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.282 14.217 -16.241 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.724 13.434 -16.857 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.857 13.573 -19.324 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.094 13.199 -17.983 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.391 13.572 -21.401 1.00 0.00 H new ATOM 307 N TYR A 24 1.397 10.103 -17.095 1.00 0.00 N ATOM 308 CA TYR A 24 1.445 8.900 -17.919 1.00 0.00 C ATOM 309 C TYR A 24 0.079 8.605 -18.531 1.00 0.00 C ATOM 310 O TYR A 24 -0.924 8.508 -17.824 1.00 0.00 O ATOM 311 CB TYR A 24 1.913 7.705 -17.086 1.00 0.00 C ATOM 312 CG TYR A 24 2.372 6.530 -17.919 1.00 0.00 C ATOM 313 CD1 TYR A 24 3.497 6.624 -18.729 1.00 0.00 C ATOM 314 CD2 TYR A 24 1.680 5.325 -17.897 1.00 0.00 C ATOM 315 CE1 TYR A 24 3.920 5.553 -19.492 1.00 0.00 C ATOM 316 CE2 TYR A 24 2.096 4.249 -18.656 1.00 0.00 C ATOM 317 CZ TYR A 24 3.216 4.367 -19.452 1.00 0.00 C ATOM 318 OH TYR A 24 3.633 3.298 -20.210 1.00 0.00 O ATOM 0 H TYR A 24 0.480 10.306 -16.697 1.00 0.00 H new ATOM 0 HA TYR A 24 2.156 9.071 -18.728 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.730 8.022 -16.438 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.098 7.384 -16.437 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.050 7.551 -18.763 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.802 5.228 -17.276 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.797 5.643 -20.116 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.547 3.319 -18.626 1.00 0.00 H new ATOM 0 HH TYR A 24 3.029 2.540 -20.067 1.00 0.00 H new ATOM 328 N LYS A 25 0.049 8.461 -19.851 1.00 0.00 N ATOM 329 CA LYS A 25 -1.192 8.174 -20.562 1.00 0.00 C ATOM 330 C LYS A 25 -2.192 9.314 -20.392 1.00 0.00 C ATOM 331 O LYS A 25 -3.378 9.081 -20.159 1.00 0.00 O ATOM 332 CB LYS A 25 -1.803 6.866 -20.056 1.00 0.00 C ATOM 333 CG LYS A 25 -0.973 5.638 -20.390 1.00 0.00 C ATOM 334 CD LYS A 25 -1.150 5.224 -21.841 1.00 0.00 C ATOM 335 CE LYS A 25 -2.296 4.237 -22.003 1.00 0.00 C ATOM 336 NZ LYS A 25 -3.601 4.929 -22.190 1.00 0.00 N ATOM 0 H LYS A 25 0.870 8.538 -20.451 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.959 8.073 -21.622 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.927 6.927 -18.975 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.798 6.749 -20.485 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.079 5.845 -20.195 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.262 4.814 -19.738 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.339 6.107 -22.452 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.227 4.775 -22.208 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.101 3.592 -22.859 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.348 3.594 -21.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.245 4.316 -22.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.020 5.137 -21.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.451 5.818 -22.709 1.00 0.00 H new ATOM 350 N ASN A 26 -1.706 10.545 -20.511 1.00 0.00 N ATOM 351 CA ASN A 26 -2.558 11.720 -20.372 1.00 0.00 C ATOM 352 C ASN A 26 -3.208 11.760 -18.992 1.00 0.00 C ATOM 353 O ASN A 26 -4.326 12.251 -18.835 1.00 0.00 O ATOM 354 CB ASN A 26 -3.637 11.725 -21.456 1.00 0.00 C ATOM 355 CG ASN A 26 -3.143 12.320 -22.761 1.00 0.00 C ATOM 356 OD1 ASN A 26 -2.025 12.829 -22.840 1.00 0.00 O ATOM 357 ND2 ASN A 26 -3.977 12.259 -23.792 1.00 0.00 N ATOM 0 H ASN A 26 -0.727 10.755 -20.703 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.934 12.606 -20.486 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.977 10.704 -21.631 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.499 12.292 -21.104 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.700 12.643 -24.695 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.895 11.828 -23.681 1.00 0.00 H new ATOM 364 N ARG A 27 -2.500 11.240 -17.995 1.00 0.00 N ATOM 365 CA ARG A 27 -3.007 11.216 -16.629 1.00 0.00 C ATOM 366 C ARG A 27 -1.970 11.765 -15.653 1.00 0.00 C ATOM 367 O ARG A 27 -0.887 12.188 -16.056 1.00 0.00 O ATOM 368 CB ARG A 27 -3.392 9.790 -16.230 1.00 0.00 C ATOM 369 CG ARG A 27 -4.713 9.327 -16.823 1.00 0.00 C ATOM 370 CD ARG A 27 -5.230 8.079 -16.125 1.00 0.00 C ATOM 371 NE ARG A 27 -6.675 7.928 -16.273 1.00 0.00 N ATOM 372 CZ ARG A 27 -7.259 7.491 -17.383 1.00 0.00 C ATOM 373 NH1 ARG A 27 -6.525 7.163 -18.437 1.00 0.00 N ATOM 374 NH2 ARG A 27 -8.580 7.381 -17.440 1.00 0.00 N ATOM 0 H ARG A 27 -1.573 10.830 -18.108 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.892 11.850 -16.587 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.603 9.108 -16.546 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.450 9.729 -15.143 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.451 10.125 -16.738 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.584 9.124 -17.886 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.730 7.201 -16.534 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.977 8.125 -15.066 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.269 8.172 -15.480 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.509 7.246 -18.397 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.976 6.828 -19.288 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.148 7.632 -16.631 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.027 7.045 -18.293 1.00 0.00 H new ATOM 388 N PHE A 28 -2.311 11.757 -14.369 1.00 0.00 N ATOM 389 CA PHE A 28 -1.411 12.256 -13.336 1.00 0.00 C ATOM 390 C PHE A 28 -1.742 11.638 -11.981 1.00 0.00 C ATOM 391 O PHE A 28 -2.891 11.661 -11.540 1.00 0.00 O ATOM 392 CB PHE A 28 -1.496 13.781 -13.248 1.00 0.00 C ATOM 393 CG PHE A 28 -1.358 14.466 -14.578 1.00 0.00 C ATOM 394 CD1 PHE A 28 -2.473 14.712 -15.364 1.00 0.00 C ATOM 395 CD2 PHE A 28 -0.115 14.865 -15.041 1.00 0.00 C ATOM 396 CE1 PHE A 28 -2.348 15.342 -16.588 1.00 0.00 C ATOM 397 CE2 PHE A 28 0.015 15.496 -16.264 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.103 15.735 -17.038 1.00 0.00 C ATOM 0 H PHE A 28 -3.204 11.410 -14.019 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.394 11.971 -13.607 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.451 14.059 -12.802 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.715 14.143 -12.579 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.449 14.408 -15.016 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.763 14.681 -14.439 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.224 15.527 -17.192 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.990 15.802 -16.614 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.004 16.228 -17.994 1.00 0.00 H new ATOM 408 N TRP A 29 -0.728 11.086 -11.325 1.00 0.00 N ATOM 409 CA TRP A 29 -0.911 10.460 -10.020 1.00 0.00 C ATOM 410 C TRP A 29 0.062 11.039 -8.998 1.00 0.00 C ATOM 411 O TRP A 29 1.223 11.302 -9.312 1.00 0.00 O ATOM 412 CB TRP A 29 -0.719 8.947 -10.126 1.00 0.00 C ATOM 413 CG TRP A 29 -1.762 8.273 -10.965 1.00 0.00 C ATOM 414 CD1 TRP A 29 -2.941 7.736 -10.532 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.718 8.062 -12.380 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.633 7.205 -11.594 1.00 0.00 N ATOM 417 CE2 TRP A 29 -2.905 7.393 -12.739 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.794 8.376 -13.380 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -3.187 7.032 -14.053 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -1.076 8.017 -14.684 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.265 7.351 -15.012 1.00 0.00 C ATOM 0 H TRP A 29 0.230 11.059 -11.675 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.927 10.667 -9.684 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.265 8.742 -10.548 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.733 8.515 -9.125 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.279 7.730 -9.506 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.542 6.745 -11.539 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.124 8.890 -13.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -4.102 6.518 -14.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.368 8.254 -15.464 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.457 7.085 -16.041 1.00 0.00 H new ATOM 432 N HIS A 30 -0.418 11.233 -7.774 1.00 0.00 N ATOM 433 CA HIS A 30 0.411 11.780 -6.706 1.00 0.00 C ATOM 434 C HIS A 30 1.538 10.817 -6.346 1.00 0.00 C ATOM 435 O HIS A 30 1.442 9.615 -6.593 1.00 0.00 O ATOM 436 CB HIS A 30 -0.441 12.072 -5.470 1.00 0.00 C ATOM 437 CG HIS A 30 -1.181 13.372 -5.546 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.522 13.493 -5.249 1.00 0.00 N ATOM 439 CD2 HIS A 30 -0.759 14.612 -5.887 1.00 0.00 C ATOM 440 CE1 HIS A 30 -2.893 14.752 -5.405 1.00 0.00 C ATOM 441 NE2 HIS A 30 -1.842 15.451 -5.791 1.00 0.00 N ATOM 0 H HIS A 30 -1.376 11.020 -7.497 1.00 0.00 H new ATOM 0 HA HIS A 30 0.852 12.711 -7.062 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.158 11.263 -5.334 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.202 12.080 -4.590 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.132 12.730 -4.955 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.243 14.890 -6.180 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.887 15.142 -5.244 1.00 0.00 H new ATOM 449 N ASP A 31 2.604 11.353 -5.762 1.00 0.00 N ATOM 450 CA ASP A 31 3.749 10.541 -5.367 1.00 0.00 C ATOM 451 C ASP A 31 3.314 9.389 -4.467 1.00 0.00 C ATOM 452 O ASP A 31 4.006 8.376 -4.358 1.00 0.00 O ATOM 453 CB ASP A 31 4.788 11.402 -4.647 1.00 0.00 C ATOM 454 CG ASP A 31 4.153 12.444 -3.747 1.00 0.00 C ATOM 455 OD1 ASP A 31 3.431 12.054 -2.806 1.00 0.00 O ATOM 456 OD2 ASP A 31 4.380 13.649 -3.983 1.00 0.00 O ATOM 0 H ASP A 31 2.699 12.347 -5.552 1.00 0.00 H new ATOM 0 HA ASP A 31 4.196 10.124 -6.270 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.438 10.760 -4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.418 11.899 -5.385 1.00 0.00 H new ATOM 461 N THR A 32 2.162 9.550 -3.822 1.00 0.00 N ATOM 462 CA THR A 32 1.636 8.525 -2.930 1.00 0.00 C ATOM 463 C THR A 32 0.526 7.727 -3.604 1.00 0.00 C ATOM 464 O THR A 32 0.155 6.647 -3.143 1.00 0.00 O ATOM 465 CB THR A 32 1.092 9.140 -1.627 1.00 0.00 C ATOM 466 OG1 THR A 32 0.244 10.254 -1.928 1.00 0.00 O ATOM 467 CG2 THR A 32 2.230 9.591 -0.725 1.00 0.00 C ATOM 0 H THR A 32 1.576 10.381 -3.901 1.00 0.00 H new ATOM 0 HA THR A 32 2.465 7.859 -2.690 1.00 0.00 H new ATOM 0 HB THR A 32 0.516 8.377 -1.104 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.099 10.638 -1.094 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.821 10.022 0.189 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.856 8.735 -0.474 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.830 10.340 -1.243 1.00 0.00 H new ATOM 475 N CYS A 33 -0.001 8.264 -4.699 1.00 0.00 N ATOM 476 CA CYS A 33 -1.070 7.602 -5.438 1.00 0.00 C ATOM 477 C CYS A 33 -0.498 6.636 -6.473 1.00 0.00 C ATOM 478 O CYS A 33 -0.917 5.482 -6.560 1.00 0.00 O ATOM 479 CB CYS A 33 -1.959 8.638 -6.128 1.00 0.00 C ATOM 480 SG CYS A 33 -3.068 9.537 -4.996 1.00 0.00 S ATOM 0 H CYS A 33 0.295 9.156 -5.095 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.671 7.033 -4.728 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.325 9.358 -6.646 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.560 8.138 -6.887 1.00 0.00 H new ATOM 485 N PHE A 34 0.462 7.118 -7.256 1.00 0.00 N ATOM 486 CA PHE A 34 1.091 6.299 -8.285 1.00 0.00 C ATOM 487 C PHE A 34 1.729 5.054 -7.676 1.00 0.00 C ATOM 488 O PHE A 34 2.852 5.101 -7.174 1.00 0.00 O ATOM 489 CB PHE A 34 2.148 7.110 -9.038 1.00 0.00 C ATOM 490 CG PHE A 34 2.737 6.384 -10.213 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.923 5.900 -11.224 1.00 0.00 C ATOM 492 CD2 PHE A 34 4.105 6.185 -10.306 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.462 5.231 -12.307 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.650 5.518 -11.387 1.00 0.00 C ATOM 495 CZ PHE A 34 3.827 5.039 -12.388 1.00 0.00 C ATOM 0 H PHE A 34 0.821 8.071 -7.197 1.00 0.00 H new ATOM 0 HA PHE A 34 0.317 5.984 -8.985 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.701 8.042 -9.384 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.948 7.378 -8.348 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.855 6.047 -11.165 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.753 6.555 -9.525 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.816 4.859 -13.089 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.718 5.371 -11.449 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.251 4.515 -13.232 1.00 0.00 H new ATOM 505 N ARG A 35 1.003 3.941 -7.723 1.00 0.00 N ATOM 506 CA ARG A 35 1.496 2.684 -7.174 1.00 0.00 C ATOM 507 C ARG A 35 0.843 1.493 -7.870 1.00 0.00 C ATOM 508 O ARG A 35 -0.033 1.661 -8.720 1.00 0.00 O ATOM 509 CB ARG A 35 1.226 2.619 -5.669 1.00 0.00 C ATOM 510 CG ARG A 35 -0.239 2.412 -5.321 1.00 0.00 C ATOM 511 CD ARG A 35 -0.412 1.982 -3.873 1.00 0.00 C ATOM 512 NE ARG A 35 -0.163 3.080 -2.943 1.00 0.00 N ATOM 513 CZ ARG A 35 -1.127 3.792 -2.371 1.00 0.00 C ATOM 514 NH1 ARG A 35 -2.399 3.524 -2.633 1.00 0.00 N ATOM 515 NH2 ARG A 35 -0.821 4.776 -1.535 1.00 0.00 N ATOM 0 H ARG A 35 0.072 3.885 -8.136 1.00 0.00 H new ATOM 0 HA ARG A 35 2.571 2.639 -7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.811 1.807 -5.238 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.574 3.542 -5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.790 3.336 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.667 1.657 -5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.424 1.604 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.270 1.160 -3.655 1.00 0.00 H new ATOM 0 HE ARG A 35 0.805 3.313 -2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.639 2.769 -3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.137 4.073 -2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.156 4.987 -1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.563 5.322 -1.097 1.00 0.00 H new ATOM 529 N CYS A 36 1.275 0.291 -7.505 1.00 0.00 N ATOM 530 CA CYS A 36 0.734 -0.928 -8.094 1.00 0.00 C ATOM 531 C CYS A 36 -0.696 -1.173 -7.621 1.00 0.00 C ATOM 532 O CYS A 36 -1.174 -0.521 -6.693 1.00 0.00 O ATOM 533 CB CYS A 36 1.614 -2.127 -7.735 1.00 0.00 C ATOM 534 SG CYS A 36 1.375 -3.574 -8.815 1.00 0.00 S ATOM 0 H CYS A 36 1.999 0.135 -6.804 1.00 0.00 H new ATOM 0 HA CYS A 36 0.724 -0.805 -9.177 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.660 -1.823 -7.779 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.410 -2.418 -6.705 1.00 0.00 H new ATOM 539 N ALA A 37 -1.374 -2.116 -8.267 1.00 0.00 N ATOM 540 CA ALA A 37 -2.748 -2.449 -7.912 1.00 0.00 C ATOM 541 C ALA A 37 -2.828 -3.825 -7.260 1.00 0.00 C ATOM 542 O ALA A 37 -3.845 -4.184 -6.666 1.00 0.00 O ATOM 543 CB ALA A 37 -3.640 -2.392 -9.143 1.00 0.00 C ATOM 0 H ALA A 37 -0.994 -2.663 -9.039 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.099 -1.713 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.663 -2.643 -8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.615 -1.387 -9.564 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.282 -3.105 -9.885 1.00 0.00 H new ATOM 549 N LYS A 38 -1.750 -4.593 -7.376 1.00 0.00 N ATOM 550 CA LYS A 38 -1.698 -5.931 -6.798 1.00 0.00 C ATOM 551 C LYS A 38 -0.939 -5.923 -5.475 1.00 0.00 C ATOM 552 O LYS A 38 -1.416 -6.453 -4.471 1.00 0.00 O ATOM 553 CB LYS A 38 -1.033 -6.905 -7.774 1.00 0.00 C ATOM 554 CG LYS A 38 -1.571 -8.322 -7.681 1.00 0.00 C ATOM 555 CD LYS A 38 -1.160 -9.155 -8.883 1.00 0.00 C ATOM 556 CE LYS A 38 -2.196 -9.079 -9.994 1.00 0.00 C ATOM 557 NZ LYS A 38 -1.757 -9.814 -11.213 1.00 0.00 N ATOM 0 H LYS A 38 -0.900 -4.312 -7.865 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.720 -6.258 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.172 -6.539 -8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.040 -6.920 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.204 -8.792 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.658 -8.295 -7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.198 -8.806 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.026 -10.193 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.140 -9.494 -9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.382 -8.035 -10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.490 -9.738 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.870 -9.402 -11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.604 -10.816 -10.978 1.00 0.00 H new ATOM 571 N CYS A 39 0.244 -5.318 -5.480 1.00 0.00 N ATOM 572 CA CYS A 39 1.068 -5.239 -4.281 1.00 0.00 C ATOM 573 C CYS A 39 0.946 -3.867 -3.625 1.00 0.00 C ATOM 574 O CYS A 39 1.384 -3.667 -2.492 1.00 0.00 O ATOM 575 CB CYS A 39 2.532 -5.524 -4.624 1.00 0.00 C ATOM 576 SG CYS A 39 3.261 -4.347 -5.807 1.00 0.00 S ATOM 0 H CYS A 39 0.653 -4.875 -6.302 1.00 0.00 H new ATOM 0 HA CYS A 39 0.713 -5.991 -3.577 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.119 -5.510 -3.705 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.608 -6.530 -5.035 1.00 0.00 H new ATOM 581 N LEU A 40 0.347 -2.925 -4.346 1.00 0.00 N ATOM 582 CA LEU A 40 0.166 -1.570 -3.835 1.00 0.00 C ATOM 583 C LEU A 40 1.511 -0.919 -3.530 1.00 0.00 C ATOM 584 O LEU A 40 1.713 -0.362 -2.451 1.00 0.00 O ATOM 585 CB LEU A 40 -0.700 -1.591 -2.574 1.00 0.00 C ATOM 586 CG LEU A 40 -2.195 -1.830 -2.791 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.823 -0.655 -3.524 1.00 0.00 C ATOM 588 CD2 LEU A 40 -2.422 -3.123 -3.561 1.00 0.00 C ATOM 0 H LEU A 40 -0.021 -3.074 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.336 -0.982 -4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.321 -2.368 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.576 -0.640 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.674 -1.921 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.887 -0.843 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.692 0.253 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.341 -0.531 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.491 -3.277 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.929 -3.060 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.008 -3.959 -2.998 1.00 0.00 H new ATOM 600 N HIS A 41 2.428 -0.990 -4.490 1.00 0.00 N ATOM 601 CA HIS A 41 3.754 -0.404 -4.325 1.00 0.00 C ATOM 602 C HIS A 41 3.928 0.809 -5.234 1.00 0.00 C ATOM 603 O HIS A 41 3.607 0.777 -6.422 1.00 0.00 O ATOM 604 CB HIS A 41 4.834 -1.442 -4.629 1.00 0.00 C ATOM 605 CG HIS A 41 6.223 -0.964 -4.337 1.00 0.00 C ATOM 606 ND1 HIS A 41 7.070 -1.602 -3.455 1.00 0.00 N ATOM 607 CD2 HIS A 41 6.914 0.097 -4.818 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.220 -0.954 -3.405 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.151 0.081 -4.223 1.00 0.00 N ATOM 0 H HIS A 41 2.278 -1.447 -5.389 1.00 0.00 H new ATOM 0 HA HIS A 41 3.855 -0.078 -3.290 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.637 -2.341 -4.044 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.769 -1.725 -5.680 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.558 0.821 -5.536 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.072 -1.224 -2.799 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.896 0.758 -4.386 1.00 0.00 H new ATOM 618 N PRO A 42 4.447 1.907 -4.663 1.00 0.00 N ATOM 619 CA PRO A 42 4.676 3.151 -5.403 1.00 0.00 C ATOM 620 C PRO A 42 5.807 3.024 -6.417 1.00 0.00 C ATOM 621 O PRO A 42 6.974 2.883 -6.047 1.00 0.00 O ATOM 622 CB PRO A 42 5.050 4.152 -4.307 1.00 0.00 C ATOM 623 CG PRO A 42 5.606 3.317 -3.206 1.00 0.00 C ATOM 624 CD PRO A 42 4.853 2.016 -3.252 1.00 0.00 C ATOM 0 HA PRO A 42 3.803 3.443 -5.987 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.783 4.875 -4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.180 4.718 -3.974 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.675 3.154 -3.342 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.478 3.808 -2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.480 1.178 -2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.991 2.027 -2.585 1.00 0.00 H new ATOM 632 N LEU A 43 5.456 3.074 -7.698 1.00 0.00 N ATOM 633 CA LEU A 43 6.443 2.965 -8.766 1.00 0.00 C ATOM 634 C LEU A 43 7.041 4.328 -9.097 1.00 0.00 C ATOM 635 O LEU A 43 7.505 4.559 -10.213 1.00 0.00 O ATOM 636 CB LEU A 43 5.805 2.358 -10.017 1.00 0.00 C ATOM 637 CG LEU A 43 5.372 0.896 -9.908 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.399 0.092 -9.125 1.00 0.00 C ATOM 639 CD2 LEU A 43 4.001 0.792 -9.255 1.00 0.00 C ATOM 0 H LEU A 43 4.496 3.189 -8.022 1.00 0.00 H new ATOM 0 HA LEU A 43 7.244 2.312 -8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.933 2.956 -10.282 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.513 2.446 -10.841 1.00 0.00 H new ATOM 0 HG LEU A 43 5.306 0.481 -10.914 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.074 -0.946 -9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.362 0.138 -9.634 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.498 0.507 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.709 -0.256 -9.186 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.040 1.224 -8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.270 1.333 -9.856 1.00 0.00 H new ATOM 651 N ALA A 44 7.029 5.227 -8.118 1.00 0.00 N ATOM 652 CA ALA A 44 7.573 6.566 -8.304 1.00 0.00 C ATOM 653 C ALA A 44 9.037 6.510 -8.729 1.00 0.00 C ATOM 654 O ALA A 44 9.443 7.176 -9.680 1.00 0.00 O ATOM 655 CB ALA A 44 7.424 7.379 -7.026 1.00 0.00 C ATOM 0 H ALA A 44 6.648 5.052 -7.188 1.00 0.00 H new ATOM 0 HA ALA A 44 7.009 7.053 -9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.835 8.377 -7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.368 7.457 -6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.962 6.886 -6.216 1.00 0.00 H new ATOM 661 N ASN A 45 9.824 5.710 -8.017 1.00 0.00 N ATOM 662 CA ASN A 45 11.244 5.568 -8.320 1.00 0.00 C ATOM 663 C ASN A 45 11.546 4.177 -8.870 1.00 0.00 C ATOM 664 O ASN A 45 12.701 3.838 -9.126 1.00 0.00 O ATOM 665 CB ASN A 45 12.083 5.826 -7.067 1.00 0.00 C ATOM 666 CG ASN A 45 11.624 7.055 -6.307 1.00 0.00 C ATOM 667 OD1 ASN A 45 11.263 6.974 -5.133 1.00 0.00 O ATOM 668 ND2 ASN A 45 11.634 8.203 -6.976 1.00 0.00 N ATOM 0 H ASN A 45 9.503 5.150 -7.227 1.00 0.00 H new ATOM 0 HA ASN A 45 11.503 6.305 -9.080 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.030 4.956 -6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.128 5.947 -7.352 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.334 9.063 -6.517 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.941 8.224 -7.948 1.00 0.00 H new ATOM 675 N GLU A 46 10.499 3.377 -9.050 1.00 0.00 N ATOM 676 CA GLU A 46 10.653 2.024 -9.569 1.00 0.00 C ATOM 677 C GLU A 46 9.988 1.886 -10.936 1.00 0.00 C ATOM 678 O GLU A 46 9.278 2.786 -11.387 1.00 0.00 O ATOM 679 CB GLU A 46 10.053 1.008 -8.594 1.00 0.00 C ATOM 680 CG GLU A 46 11.011 0.583 -7.493 1.00 0.00 C ATOM 681 CD GLU A 46 12.258 -0.090 -8.033 1.00 0.00 C ATOM 682 OE1 GLU A 46 12.231 -1.325 -8.219 1.00 0.00 O ATOM 683 OE2 GLU A 46 13.260 0.617 -8.269 1.00 0.00 O ATOM 0 H GLU A 46 9.536 3.643 -8.844 1.00 0.00 H new ATOM 0 HA GLU A 46 11.719 1.825 -9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.159 1.436 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.737 0.125 -9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.298 1.457 -6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.499 -0.099 -6.814 1.00 0.00 H new ATOM 690 N THR A 47 10.224 0.754 -11.591 1.00 0.00 N ATOM 691 CA THR A 47 9.651 0.498 -12.907 1.00 0.00 C ATOM 692 C THR A 47 8.174 0.137 -12.802 1.00 0.00 C ATOM 693 O THR A 47 7.705 -0.301 -11.751 1.00 0.00 O ATOM 694 CB THR A 47 10.396 -0.637 -13.633 1.00 0.00 C ATOM 695 OG1 THR A 47 10.543 -1.763 -12.761 1.00 0.00 O ATOM 696 CG2 THR A 47 11.765 -0.172 -14.104 1.00 0.00 C ATOM 0 H THR A 47 10.808 -0.001 -11.232 1.00 0.00 H new ATOM 0 HA THR A 47 9.757 1.417 -13.483 1.00 0.00 H new ATOM 0 HB THR A 47 9.809 -0.927 -14.505 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.016 -2.481 -13.231 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.272 -0.991 -14.614 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.648 0.666 -14.791 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.358 0.143 -13.245 1.00 0.00 H new ATOM 704 N PHE A 48 7.445 0.321 -13.898 1.00 0.00 N ATOM 705 CA PHE A 48 6.020 0.014 -13.928 1.00 0.00 C ATOM 706 C PHE A 48 5.592 -0.442 -15.320 1.00 0.00 C ATOM 707 O PHE A 48 6.294 -0.211 -16.305 1.00 0.00 O ATOM 708 CB PHE A 48 5.204 1.237 -13.507 1.00 0.00 C ATOM 709 CG PHE A 48 5.310 2.388 -14.466 1.00 0.00 C ATOM 710 CD1 PHE A 48 4.459 2.480 -15.556 1.00 0.00 C ATOM 711 CD2 PHE A 48 6.259 3.379 -14.277 1.00 0.00 C ATOM 712 CE1 PHE A 48 4.555 3.537 -16.440 1.00 0.00 C ATOM 713 CE2 PHE A 48 6.360 4.440 -15.158 1.00 0.00 C ATOM 714 CZ PHE A 48 5.506 4.519 -16.241 1.00 0.00 C ATOM 0 H PHE A 48 7.818 0.681 -14.777 1.00 0.00 H new ATOM 0 HA PHE A 48 5.834 -0.798 -13.225 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.157 0.950 -13.411 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.536 1.564 -12.522 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.712 1.716 -15.716 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.928 3.322 -13.431 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.887 3.596 -17.286 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.105 5.206 -15.000 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.582 5.347 -16.931 1.00 0.00 H new ATOM 724 N VAL A 49 4.434 -1.091 -15.394 1.00 0.00 N ATOM 725 CA VAL A 49 3.911 -1.580 -16.664 1.00 0.00 C ATOM 726 C VAL A 49 2.404 -1.370 -16.755 1.00 0.00 C ATOM 727 O VAL A 49 1.675 -1.609 -15.793 1.00 0.00 O ATOM 728 CB VAL A 49 4.223 -3.075 -16.862 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.636 -3.574 -18.173 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.724 -3.317 -16.814 1.00 0.00 C ATOM 0 H VAL A 49 3.840 -1.290 -14.589 1.00 0.00 H new ATOM 0 HA VAL A 49 4.403 -1.007 -17.450 1.00 0.00 H new ATOM 0 HB VAL A 49 3.762 -3.635 -16.049 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.867 -4.632 -18.296 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.555 -3.437 -18.163 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.065 -3.011 -19.002 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.926 -4.379 -16.956 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.210 -2.746 -17.605 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.113 -3.000 -15.846 1.00 0.00 H new ATOM 740 N ALA A 50 1.943 -0.922 -17.918 1.00 0.00 N ATOM 741 CA ALA A 50 0.522 -0.682 -18.136 1.00 0.00 C ATOM 742 C ALA A 50 -0.086 -1.759 -19.028 1.00 0.00 C ATOM 743 O ALA A 50 0.180 -1.809 -20.229 1.00 0.00 O ATOM 744 CB ALA A 50 0.307 0.695 -18.747 1.00 0.00 C ATOM 0 H ALA A 50 2.534 -0.718 -18.724 1.00 0.00 H new ATOM 0 HA ALA A 50 0.020 -0.721 -17.169 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.759 0.861 -18.904 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.697 1.457 -18.073 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.828 0.755 -19.702 1.00 0.00 H new ATOM 750 N LYS A 51 -0.904 -2.621 -18.432 1.00 0.00 N ATOM 751 CA LYS A 51 -1.551 -3.698 -19.172 1.00 0.00 C ATOM 752 C LYS A 51 -2.982 -3.908 -18.686 1.00 0.00 C ATOM 753 O LYS A 51 -3.248 -3.893 -17.485 1.00 0.00 O ATOM 754 CB LYS A 51 -0.755 -4.996 -19.024 1.00 0.00 C ATOM 755 CG LYS A 51 0.458 -5.073 -19.934 1.00 0.00 C ATOM 756 CD LYS A 51 1.187 -6.398 -19.782 1.00 0.00 C ATOM 757 CE LYS A 51 2.623 -6.304 -20.275 1.00 0.00 C ATOM 758 NZ LYS A 51 3.421 -7.500 -19.887 1.00 0.00 N ATOM 0 H LYS A 51 -1.134 -2.594 -17.439 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.581 -3.416 -20.224 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.429 -5.096 -17.989 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.411 -5.841 -19.235 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.145 -4.946 -20.970 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.139 -4.254 -19.704 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.180 -6.700 -18.735 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.659 -7.171 -20.341 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.629 -6.200 -21.360 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.090 -5.408 -19.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.394 -7.398 -20.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.437 -7.585 -18.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.990 -8.353 -20.298 1.00 0.00 H new ATOM 772 N ASP A 52 -3.898 -4.104 -19.628 1.00 0.00 N ATOM 773 CA ASP A 52 -5.302 -4.320 -19.295 1.00 0.00 C ATOM 774 C ASP A 52 -5.883 -3.107 -18.575 1.00 0.00 C ATOM 775 O ASP A 52 -6.626 -3.247 -17.605 1.00 0.00 O ATOM 776 CB ASP A 52 -5.455 -5.568 -18.424 1.00 0.00 C ATOM 777 CG ASP A 52 -6.788 -6.260 -18.634 1.00 0.00 C ATOM 778 OD1 ASP A 52 -6.947 -6.938 -19.671 1.00 0.00 O ATOM 779 OD2 ASP A 52 -7.672 -6.123 -17.762 1.00 0.00 O ATOM 0 H ASP A 52 -3.694 -4.118 -20.627 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.852 -4.465 -20.225 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.648 -6.265 -18.648 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.354 -5.290 -17.375 1.00 0.00 H new ATOM 784 N ASN A 53 -5.536 -1.918 -19.057 1.00 0.00 N ATOM 785 CA ASN A 53 -6.022 -0.680 -18.458 1.00 0.00 C ATOM 786 C ASN A 53 -5.828 -0.695 -16.944 1.00 0.00 C ATOM 787 O ASN A 53 -6.662 -0.187 -16.195 1.00 0.00 O ATOM 788 CB ASN A 53 -7.501 -0.473 -18.792 1.00 0.00 C ATOM 789 CG ASN A 53 -7.784 -0.619 -20.274 1.00 0.00 C ATOM 790 OD1 ASN A 53 -6.865 -0.698 -21.089 1.00 0.00 O ATOM 791 ND2 ASN A 53 -9.063 -0.656 -20.631 1.00 0.00 N ATOM 0 H ASN A 53 -4.921 -1.786 -19.860 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.444 0.146 -18.872 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.101 -1.195 -18.237 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.810 0.519 -18.462 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.315 -0.753 -21.614 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.793 -0.587 -19.922 1.00 0.00 H new ATOM 798 N LYS A 54 -4.722 -1.282 -16.501 1.00 0.00 N ATOM 799 CA LYS A 54 -4.415 -1.363 -15.078 1.00 0.00 C ATOM 800 C LYS A 54 -2.921 -1.184 -14.832 1.00 0.00 C ATOM 801 O LYS A 54 -2.093 -1.700 -15.584 1.00 0.00 O ATOM 802 CB LYS A 54 -4.879 -2.706 -14.511 1.00 0.00 C ATOM 803 CG LYS A 54 -6.380 -2.788 -14.292 1.00 0.00 C ATOM 804 CD LYS A 54 -6.775 -4.093 -13.621 1.00 0.00 C ATOM 805 CE LYS A 54 -6.922 -5.219 -14.633 1.00 0.00 C ATOM 806 NZ LYS A 54 -6.797 -6.558 -13.995 1.00 0.00 N ATOM 0 H LYS A 54 -4.022 -1.709 -17.108 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.947 -0.558 -14.571 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.575 -3.502 -15.191 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.372 -2.885 -13.563 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.705 -1.949 -13.677 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.894 -2.700 -15.249 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.023 -4.364 -12.880 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.715 -3.958 -13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.891 -5.140 -15.125 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.162 -5.113 -15.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.903 -7.298 -14.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.862 -6.643 -13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.538 -6.670 -13.274 1.00 0.00 H new ATOM 820 N ILE A 55 -2.583 -0.453 -13.775 1.00 0.00 N ATOM 821 CA ILE A 55 -1.188 -0.210 -13.430 1.00 0.00 C ATOM 822 C ILE A 55 -0.612 -1.367 -12.619 1.00 0.00 C ATOM 823 O ILE A 55 -1.232 -1.841 -11.666 1.00 0.00 O ATOM 824 CB ILE A 55 -1.026 1.095 -12.627 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.576 2.280 -13.423 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.437 1.321 -12.274 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.843 2.528 -14.723 1.00 0.00 C ATOM 0 H ILE A 55 -3.256 -0.019 -13.143 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.642 -0.120 -14.369 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.594 1.008 -11.701 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.630 2.105 -13.638 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.521 3.178 -12.807 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.536 2.247 -11.707 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.799 0.487 -11.673 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.025 1.392 -13.189 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.287 3.382 -15.234 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.207 2.735 -14.515 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.920 1.646 -15.358 1.00 0.00 H new ATOM 839 N LEU A 56 0.578 -1.816 -13.003 1.00 0.00 N ATOM 840 CA LEU A 56 1.239 -2.917 -12.311 1.00 0.00 C ATOM 841 C LEU A 56 2.749 -2.705 -12.271 1.00 0.00 C ATOM 842 O LEU A 56 3.291 -1.880 -13.007 1.00 0.00 O ATOM 843 CB LEU A 56 0.916 -4.245 -12.998 1.00 0.00 C ATOM 844 CG LEU A 56 -0.536 -4.713 -12.905 1.00 0.00 C ATOM 845 CD1 LEU A 56 -0.770 -5.912 -13.811 1.00 0.00 C ATOM 846 CD2 LEU A 56 -0.896 -5.051 -11.466 1.00 0.00 C ATOM 0 H LEU A 56 1.104 -1.435 -13.789 1.00 0.00 H new ATOM 0 HA LEU A 56 0.867 -2.946 -11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.183 -4.160 -14.051 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.554 -5.018 -12.569 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.181 -3.901 -13.239 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.809 -6.231 -13.731 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.553 -5.636 -14.843 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.115 -6.730 -13.509 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.933 -5.382 -11.419 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.244 -5.847 -11.105 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.769 -4.167 -10.842 1.00 0.00 H new ATOM 858 N CYS A 57 3.424 -3.458 -11.408 1.00 0.00 N ATOM 859 CA CYS A 57 4.872 -3.356 -11.273 1.00 0.00 C ATOM 860 C CYS A 57 5.563 -4.569 -11.888 1.00 0.00 C ATOM 861 O CYS A 57 4.914 -5.551 -12.246 1.00 0.00 O ATOM 862 CB CYS A 57 5.260 -3.227 -9.799 1.00 0.00 C ATOM 863 SG CYS A 57 5.082 -4.769 -8.846 1.00 0.00 S ATOM 0 H CYS A 57 2.991 -4.146 -10.792 1.00 0.00 H new ATOM 0 HA CYS A 57 5.199 -2.464 -11.807 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.295 -2.890 -9.735 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.644 -2.455 -9.338 1.00 0.00 H new ATOM 868 N ASN A 58 6.885 -4.494 -12.006 1.00 0.00 N ATOM 869 CA ASN A 58 7.665 -5.586 -12.577 1.00 0.00 C ATOM 870 C ASN A 58 7.559 -6.840 -11.714 1.00 0.00 C ATOM 871 O ASN A 58 7.372 -7.944 -12.224 1.00 0.00 O ATOM 872 CB ASN A 58 9.131 -5.173 -12.720 1.00 0.00 C ATOM 873 CG ASN A 58 9.849 -5.955 -13.803 1.00 0.00 C ATOM 874 OD1 ASN A 58 9.630 -7.155 -13.966 1.00 0.00 O ATOM 875 ND2 ASN A 58 10.712 -5.275 -14.550 1.00 0.00 N ATOM 0 H ASN A 58 7.438 -3.688 -11.714 1.00 0.00 H new ATOM 0 HA ASN A 58 7.260 -5.811 -13.564 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.185 -4.108 -12.948 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.642 -5.322 -11.769 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.225 -5.747 -15.295 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.862 -4.281 -14.379 1.00 0.00 H new ATOM 882 N LYS A 59 7.680 -6.660 -10.403 1.00 0.00 N ATOM 883 CA LYS A 59 7.597 -7.775 -9.467 1.00 0.00 C ATOM 884 C LYS A 59 6.343 -8.607 -9.721 1.00 0.00 C ATOM 885 O LYS A 59 6.366 -9.833 -9.611 1.00 0.00 O ATOM 886 CB LYS A 59 7.595 -7.259 -8.026 1.00 0.00 C ATOM 887 CG LYS A 59 7.245 -8.322 -7.000 1.00 0.00 C ATOM 888 CD LYS A 59 8.455 -9.168 -6.638 1.00 0.00 C ATOM 889 CE LYS A 59 8.130 -10.162 -5.533 1.00 0.00 C ATOM 890 NZ LYS A 59 8.956 -11.396 -5.637 1.00 0.00 N ATOM 0 H LYS A 59 7.836 -5.752 -9.965 1.00 0.00 H new ATOM 0 HA LYS A 59 8.470 -8.410 -9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.579 -6.852 -7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.883 -6.438 -7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.851 -7.846 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.456 -8.963 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.802 -9.705 -7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.271 -8.520 -6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.297 -9.694 -4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.074 -10.427 -5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.705 -12.048 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.778 -11.857 -6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.963 -11.147 -5.565 1.00 0.00 H new ATOM 904 N CYS A 60 5.251 -7.932 -10.064 1.00 0.00 N ATOM 905 CA CYS A 60 3.988 -8.608 -10.336 1.00 0.00 C ATOM 906 C CYS A 60 3.937 -9.107 -11.777 1.00 0.00 C ATOM 907 O CYS A 60 3.853 -10.310 -12.027 1.00 0.00 O ATOM 908 CB CYS A 60 2.813 -7.665 -10.069 1.00 0.00 C ATOM 909 SG CYS A 60 2.478 -7.377 -8.301 1.00 0.00 S ATOM 0 H CYS A 60 5.215 -6.917 -10.160 1.00 0.00 H new ATOM 0 HA CYS A 60 3.914 -9.468 -9.670 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.012 -6.708 -10.551 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.918 -8.076 -10.535 1.00 0.00 H new ATOM 914 N THR A 61 3.988 -8.174 -12.722 1.00 0.00 N ATOM 915 CA THR A 61 3.947 -8.517 -14.138 1.00 0.00 C ATOM 916 C THR A 61 4.730 -9.795 -14.417 1.00 0.00 C ATOM 917 O THR A 61 4.242 -10.700 -15.095 1.00 0.00 O ATOM 918 CB THR A 61 4.515 -7.380 -15.009 1.00 0.00 C ATOM 919 OG1 THR A 61 5.890 -7.153 -14.681 1.00 0.00 O ATOM 920 CG2 THR A 61 3.721 -6.098 -14.809 1.00 0.00 C ATOM 0 H THR A 61 4.058 -7.174 -12.532 1.00 0.00 H new ATOM 0 HA THR A 61 2.899 -8.672 -14.395 1.00 0.00 H new ATOM 0 HB THR A 61 4.436 -7.677 -16.055 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.258 -6.463 -15.272 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.140 -5.309 -15.434 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.681 -6.267 -15.087 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.772 -5.798 -13.762 1.00 0.00 H new ATOM 928 N THR A 62 5.949 -9.864 -13.890 1.00 0.00 N ATOM 929 CA THR A 62 6.800 -11.031 -14.083 1.00 0.00 C ATOM 930 C THR A 62 6.020 -12.322 -13.865 1.00 0.00 C ATOM 931 O THR A 62 5.224 -12.428 -12.932 1.00 0.00 O ATOM 932 CB THR A 62 8.009 -11.008 -13.129 1.00 0.00 C ATOM 933 OG1 THR A 62 8.905 -12.078 -13.448 1.00 0.00 O ATOM 934 CG2 THR A 62 7.559 -11.131 -11.681 1.00 0.00 C ATOM 0 H THR A 62 6.369 -9.125 -13.326 1.00 0.00 H new ATOM 0 HA THR A 62 7.157 -10.995 -15.112 1.00 0.00 H new ATOM 0 HB THR A 62 8.523 -10.055 -13.253 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.672 -12.055 -12.838 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.430 -11.112 -11.026 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.901 -10.299 -11.433 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.023 -12.070 -11.545 1.00 0.00 H new ATOM 942 N ARG A 63 6.254 -13.302 -14.732 1.00 0.00 N ATOM 943 CA ARG A 63 5.572 -14.587 -14.634 1.00 0.00 C ATOM 944 C ARG A 63 5.487 -15.049 -13.182 1.00 0.00 C ATOM 945 O ARG A 63 6.499 -15.123 -12.485 1.00 0.00 O ATOM 946 CB ARG A 63 6.299 -15.640 -15.473 1.00 0.00 C ATOM 947 CG ARG A 63 5.840 -15.686 -16.922 1.00 0.00 C ATOM 948 CD ARG A 63 6.735 -14.843 -17.817 1.00 0.00 C ATOM 949 NE ARG A 63 6.028 -14.360 -19.000 1.00 0.00 N ATOM 950 CZ ARG A 63 6.513 -13.434 -19.819 1.00 0.00 C ATOM 951 NH1 ARG A 63 7.701 -12.893 -19.585 1.00 0.00 N ATOM 952 NH2 ARG A 63 5.809 -13.047 -20.875 1.00 0.00 N ATOM 0 H ARG A 63 6.910 -13.231 -15.510 1.00 0.00 H new ATOM 0 HA ARG A 63 4.559 -14.462 -15.017 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.370 -15.438 -15.446 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.148 -16.620 -15.021 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.841 -16.718 -17.273 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.813 -15.327 -16.991 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.117 -13.993 -17.251 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.598 -15.433 -18.126 1.00 0.00 H new ATOM 0 HE ARG A 63 5.111 -14.756 -19.209 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.245 -13.188 -18.774 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.071 -12.182 -20.216 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.895 -13.461 -21.058 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.182 -12.336 -21.504 1.00 0.00 H new ATOM 966 N GLU A 64 4.275 -15.358 -12.734 1.00 0.00 N ATOM 967 CA GLU A 64 4.059 -15.811 -11.365 1.00 0.00 C ATOM 968 C GLU A 64 3.453 -17.211 -11.344 1.00 0.00 C ATOM 969 O GLU A 64 3.920 -18.090 -10.619 1.00 0.00 O ATOM 970 CB GLU A 64 3.145 -14.836 -10.620 1.00 0.00 C ATOM 971 CG GLU A 64 3.815 -13.518 -10.270 1.00 0.00 C ATOM 972 CD GLU A 64 5.155 -13.709 -9.587 1.00 0.00 C ATOM 973 OE1 GLU A 64 5.264 -14.615 -8.735 1.00 0.00 O ATOM 974 OE2 GLU A 64 6.096 -12.950 -9.904 1.00 0.00 O ATOM 0 H GLU A 64 3.427 -15.303 -13.299 1.00 0.00 H new ATOM 0 HA GLU A 64 5.026 -15.846 -10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.266 -14.635 -11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.793 -15.310 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.955 -12.933 -11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.158 -12.942 -9.618 1.00 0.00 H new ATOM 981 N ASP A 65 2.411 -17.410 -12.143 1.00 0.00 N ATOM 982 CA ASP A 65 1.740 -18.703 -12.217 1.00 0.00 C ATOM 983 C ASP A 65 2.720 -19.801 -12.620 1.00 0.00 C ATOM 984 O ASP A 65 2.865 -20.114 -13.802 1.00 0.00 O ATOM 985 CB ASP A 65 0.582 -18.644 -13.215 1.00 0.00 C ATOM 986 CG ASP A 65 1.018 -18.144 -14.578 1.00 0.00 C ATOM 987 OD1 ASP A 65 1.240 -16.923 -14.718 1.00 0.00 O ATOM 988 OD2 ASP A 65 1.135 -18.973 -15.505 1.00 0.00 O ATOM 0 H ASP A 65 2.012 -16.693 -12.749 1.00 0.00 H new ATOM 0 HA ASP A 65 1.346 -18.938 -11.228 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.144 -19.637 -13.318 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.198 -17.991 -12.824 1.00 0.00 H new ATOM 993 N SER A 66 3.390 -20.381 -11.630 1.00 0.00 N ATOM 994 CA SER A 66 4.360 -21.441 -11.881 1.00 0.00 C ATOM 995 C SER A 66 3.886 -22.355 -13.006 1.00 0.00 C ATOM 996 O SER A 66 2.695 -22.448 -13.306 1.00 0.00 O ATOM 997 CB SER A 66 4.596 -22.258 -10.609 1.00 0.00 C ATOM 998 OG SER A 66 5.532 -21.619 -9.759 1.00 0.00 O ATOM 0 H SER A 66 3.279 -20.135 -10.646 1.00 0.00 H new ATOM 0 HA SER A 66 5.298 -20.977 -12.184 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.653 -22.393 -10.080 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.959 -23.251 -10.873 1.00 0.00 H new ATOM 0 HG SER A 66 5.664 -22.160 -8.953 1.00 0.00 H new ATOM 1004 N PRO A 67 4.839 -23.049 -13.646 1.00 0.00 N ATOM 1005 CA PRO A 67 4.544 -23.969 -14.748 1.00 0.00 C ATOM 1006 C PRO A 67 3.812 -25.221 -14.277 1.00 0.00 C ATOM 1007 O PRO A 67 3.465 -25.346 -13.102 1.00 0.00 O ATOM 1008 CB PRO A 67 5.930 -24.331 -15.288 1.00 0.00 C ATOM 1009 CG PRO A 67 6.851 -24.130 -14.135 1.00 0.00 C ATOM 1010 CD PRO A 67 6.279 -22.988 -13.342 1.00 0.00 C ATOM 0 HA PRO A 67 3.886 -23.518 -15.491 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.960 -25.361 -15.643 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.205 -23.695 -16.130 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.918 -25.032 -13.527 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.860 -23.901 -14.477 1.00 0.00 H new ATOM 0 HD2 PRO A 67 6.470 -23.104 -12.275 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.713 -22.034 -13.641 1.00 0.00 H new ATOM 1018 N LYS A 68 3.581 -26.149 -15.201 1.00 0.00 N ATOM 1019 CA LYS A 68 2.892 -27.393 -14.880 1.00 0.00 C ATOM 1020 C LYS A 68 3.300 -28.504 -15.843 1.00 0.00 C ATOM 1021 O LYS A 68 3.714 -28.239 -16.972 1.00 0.00 O ATOM 1022 CB LYS A 68 1.377 -27.189 -14.933 1.00 0.00 C ATOM 1023 CG LYS A 68 0.829 -27.057 -16.343 1.00 0.00 C ATOM 1024 CD LYS A 68 -0.690 -27.001 -16.349 1.00 0.00 C ATOM 1025 CE LYS A 68 -1.297 -28.385 -16.518 1.00 0.00 C ATOM 1026 NZ LYS A 68 -1.508 -29.063 -15.209 1.00 0.00 N ATOM 0 H LYS A 68 3.861 -26.062 -16.178 1.00 0.00 H new ATOM 0 HA LYS A 68 3.177 -27.688 -13.870 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.888 -28.029 -14.440 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.120 -26.294 -14.367 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.229 -26.155 -16.807 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.165 -27.901 -16.945 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.043 -26.559 -15.417 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.028 -26.353 -17.157 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.249 -28.302 -17.041 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.643 -28.995 -17.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.910 -29.912 -15.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.255 -28.414 -14.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.507 -29.337 -15.117 1.00 0.00 H new ATOM 1040 N CYS A 69 3.178 -29.747 -15.391 1.00 0.00 N ATOM 1041 CA CYS A 69 3.532 -30.898 -16.212 1.00 0.00 C ATOM 1042 C CYS A 69 2.315 -31.422 -16.968 1.00 0.00 C ATOM 1043 O CYS A 69 1.175 -31.103 -16.630 1.00 0.00 O ATOM 1044 CB CYS A 69 4.122 -32.010 -15.342 1.00 0.00 C ATOM 1045 SG CYS A 69 4.578 -33.513 -16.263 1.00 0.00 S ATOM 0 H CYS A 69 2.836 -29.983 -14.459 1.00 0.00 H new ATOM 0 HA CYS A 69 4.279 -30.578 -16.938 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.006 -31.627 -14.832 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.399 -32.275 -14.571 1.00 0.00 H new ATOM 1050 N LYS A 70 2.564 -32.229 -17.994 1.00 0.00 N ATOM 1051 CA LYS A 70 1.491 -32.800 -18.798 1.00 0.00 C ATOM 1052 C LYS A 70 1.391 -34.307 -18.582 1.00 0.00 C ATOM 1053 O LYS A 70 0.310 -34.887 -18.679 1.00 0.00 O ATOM 1054 CB LYS A 70 1.722 -32.501 -20.281 1.00 0.00 C ATOM 1055 CG LYS A 70 0.449 -32.511 -21.110 1.00 0.00 C ATOM 1056 CD LYS A 70 -0.173 -33.896 -21.160 1.00 0.00 C ATOM 1057 CE LYS A 70 -0.953 -34.111 -22.448 1.00 0.00 C ATOM 1058 NZ LYS A 70 -0.992 -35.547 -22.840 1.00 0.00 N ATOM 0 H LYS A 70 3.502 -32.502 -18.288 1.00 0.00 H new ATOM 0 HA LYS A 70 0.553 -32.343 -18.483 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.200 -31.526 -20.376 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.416 -33.237 -20.687 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.266 -31.805 -20.688 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.671 -32.174 -22.123 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.609 -34.650 -21.077 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.836 -34.029 -20.305 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.971 -33.741 -22.322 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.499 -33.528 -23.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.533 -35.651 -23.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.022 -35.894 -22.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.448 -36.100 -22.087 1.00 0.00 H new ATOM 1072 N GLY A 71 2.525 -34.935 -18.288 1.00 0.00 N ATOM 1073 CA GLY A 71 2.543 -36.368 -18.062 1.00 0.00 C ATOM 1074 C GLY A 71 1.711 -36.776 -16.862 1.00 0.00 C ATOM 1075 O GLY A 71 0.903 -37.701 -16.943 1.00 0.00 O ATOM 0 H GLY A 71 3.432 -34.477 -18.202 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.169 -36.878 -18.950 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.572 -36.697 -17.916 1.00 0.00 H new ATOM 1079 N CYS A 72 1.911 -36.085 -15.744 1.00 0.00 N ATOM 1080 CA CYS A 72 1.175 -36.381 -14.520 1.00 0.00 C ATOM 1081 C CYS A 72 0.224 -35.241 -14.168 1.00 0.00 C ATOM 1082 O CYS A 72 -0.664 -35.395 -13.329 1.00 0.00 O ATOM 1083 CB CYS A 72 2.146 -36.626 -13.363 1.00 0.00 C ATOM 1084 SG CYS A 72 3.182 -35.187 -12.945 1.00 0.00 S ATOM 0 H CYS A 72 2.576 -35.316 -15.661 1.00 0.00 H new ATOM 0 HA CYS A 72 0.586 -37.283 -14.689 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.577 -36.919 -12.481 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.794 -37.465 -13.618 1.00 0.00 H new ATOM 1089 N PHE A 73 0.416 -34.096 -14.816 1.00 0.00 N ATOM 1090 CA PHE A 73 -0.423 -32.929 -14.571 1.00 0.00 C ATOM 1091 C PHE A 73 -0.264 -32.436 -13.136 1.00 0.00 C ATOM 1092 O PHE A 73 -1.248 -32.232 -12.424 1.00 0.00 O ATOM 1093 CB PHE A 73 -1.891 -33.264 -14.848 1.00 0.00 C ATOM 1094 CG PHE A 73 -2.252 -33.215 -16.305 1.00 0.00 C ATOM 1095 CD1 PHE A 73 -2.049 -34.316 -17.120 1.00 0.00 C ATOM 1096 CD2 PHE A 73 -2.796 -32.067 -16.859 1.00 0.00 C ATOM 1097 CE1 PHE A 73 -2.380 -34.274 -18.461 1.00 0.00 C ATOM 1098 CE2 PHE A 73 -3.130 -32.019 -18.200 1.00 0.00 C ATOM 1099 CZ PHE A 73 -2.922 -33.124 -19.001 1.00 0.00 C ATOM 0 H PHE A 73 1.145 -33.952 -15.515 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.104 -32.135 -15.246 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.107 -34.260 -14.462 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.524 -32.565 -14.301 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.627 -35.218 -16.703 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.961 -31.200 -16.236 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.215 -35.139 -19.086 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.553 -31.118 -18.620 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.183 -33.089 -20.048 1.00 0.00 H new ATOM 1109 N LYS A 74 0.982 -32.247 -12.717 1.00 0.00 N ATOM 1110 CA LYS A 74 1.273 -31.777 -11.367 1.00 0.00 C ATOM 1111 C LYS A 74 2.113 -30.504 -11.404 1.00 0.00 C ATOM 1112 O LYS A 74 2.985 -30.349 -12.258 1.00 0.00 O ATOM 1113 CB LYS A 74 2.006 -32.862 -10.574 1.00 0.00 C ATOM 1114 CG LYS A 74 1.259 -34.183 -10.518 1.00 0.00 C ATOM 1115 CD LYS A 74 2.047 -35.236 -9.756 1.00 0.00 C ATOM 1116 CE LYS A 74 2.063 -34.948 -8.263 1.00 0.00 C ATOM 1117 NZ LYS A 74 0.713 -35.100 -7.654 1.00 0.00 N ATOM 0 H LYS A 74 1.808 -32.412 -13.293 1.00 0.00 H new ATOM 0 HA LYS A 74 0.327 -31.553 -10.875 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.986 -33.027 -11.021 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.175 -32.506 -9.558 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.291 -34.035 -10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.064 -34.535 -11.531 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.610 -36.218 -9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.070 -35.270 -10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.762 -35.624 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.426 -33.935 -8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.804 -35.165 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.127 -34.277 -7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.264 -35.965 -8.017 1.00 0.00 H new ATOM 1131 N ALA A 75 1.844 -29.597 -10.470 1.00 0.00 N ATOM 1132 CA ALA A 75 2.577 -28.339 -10.394 1.00 0.00 C ATOM 1133 C ALA A 75 4.080 -28.585 -10.309 1.00 0.00 C ATOM 1134 O ALA A 75 4.554 -29.288 -9.416 1.00 0.00 O ATOM 1135 CB ALA A 75 2.105 -27.525 -9.199 1.00 0.00 C ATOM 0 H ALA A 75 1.124 -29.710 -9.756 1.00 0.00 H new ATOM 0 HA ALA A 75 2.378 -27.775 -11.305 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.661 -26.588 -9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.041 -27.311 -9.302 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.274 -28.091 -8.283 1.00 0.00 H new ATOM 1141 N ILE A 76 4.824 -28.001 -11.243 1.00 0.00 N ATOM 1142 CA ILE A 76 6.273 -28.157 -11.272 1.00 0.00 C ATOM 1143 C ILE A 76 6.948 -27.201 -10.294 1.00 0.00 C ATOM 1144 O ILE A 76 6.448 -26.107 -10.033 1.00 0.00 O ATOM 1145 CB ILE A 76 6.837 -27.912 -12.684 1.00 0.00 C ATOM 1146 CG1 ILE A 76 6.267 -28.935 -13.669 1.00 0.00 C ATOM 1147 CG2 ILE A 76 8.357 -27.976 -12.665 1.00 0.00 C ATOM 1148 CD1 ILE A 76 6.641 -28.660 -15.109 1.00 0.00 C ATOM 0 H ILE A 76 4.447 -27.416 -11.989 1.00 0.00 H new ATOM 0 HA ILE A 76 6.486 -29.185 -10.978 1.00 0.00 H new ATOM 0 HB ILE A 76 6.539 -26.916 -13.011 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.620 -29.929 -13.394 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.181 -28.947 -13.580 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.741 -27.801 -13.670 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.745 -27.213 -11.990 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.675 -28.960 -12.321 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.203 -29.424 -15.751 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.264 -27.680 -15.402 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.726 -28.677 -15.213 1.00 0.00 H new ATOM 1160 N VAL A 77 8.089 -27.622 -9.757 1.00 0.00 N ATOM 1161 CA VAL A 77 8.836 -26.802 -8.810 1.00 0.00 C ATOM 1162 C VAL A 77 10.051 -26.165 -9.473 1.00 0.00 C ATOM 1163 O VAL A 77 10.689 -26.769 -10.334 1.00 0.00 O ATOM 1164 CB VAL A 77 9.302 -27.629 -7.597 1.00 0.00 C ATOM 1165 CG1 VAL A 77 10.061 -26.753 -6.613 1.00 0.00 C ATOM 1166 CG2 VAL A 77 8.114 -28.299 -6.921 1.00 0.00 C ATOM 0 H VAL A 77 8.516 -28.525 -9.961 1.00 0.00 H new ATOM 0 HA VAL A 77 8.160 -26.018 -8.468 1.00 0.00 H new ATOM 0 HB VAL A 77 9.978 -28.408 -7.949 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.382 -27.355 -5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.934 -26.325 -7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.411 -25.950 -6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.461 -28.879 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.412 -27.538 -6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.617 -28.961 -7.631 1.00 0.00 H new ATOM 1176 N ALA A 78 10.366 -24.939 -9.067 1.00 0.00 N ATOM 1177 CA ALA A 78 11.506 -24.220 -9.620 1.00 0.00 C ATOM 1178 C ALA A 78 12.781 -25.051 -9.520 1.00 0.00 C ATOM 1179 O ALA A 78 13.447 -25.308 -10.522 1.00 0.00 O ATOM 1180 CB ALA A 78 11.686 -22.887 -8.907 1.00 0.00 C ATOM 0 H ALA A 78 9.847 -24.423 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 78 11.308 -24.032 -10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.541 -22.360 -9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.788 -22.282 -9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.857 -23.063 -7.845 1.00 0.00 H new ATOM 1186 N GLY A 79 13.115 -25.470 -8.303 1.00 0.00 N ATOM 1187 CA GLY A 79 14.309 -26.268 -8.095 1.00 0.00 C ATOM 1188 C GLY A 79 14.265 -27.584 -8.845 1.00 0.00 C ATOM 1189 O GLY A 79 15.287 -28.056 -9.345 1.00 0.00 O ATOM 0 H GLY A 79 12.580 -25.271 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.182 -25.700 -8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.430 -26.464 -7.030 1.00 0.00 H new ATOM 1193 N ASP A 80 13.080 -28.180 -8.923 1.00 0.00 N ATOM 1194 CA ASP A 80 12.907 -29.450 -9.617 1.00 0.00 C ATOM 1195 C ASP A 80 13.218 -29.304 -11.103 1.00 0.00 C ATOM 1196 O ASP A 80 12.887 -28.291 -11.719 1.00 0.00 O ATOM 1197 CB ASP A 80 11.480 -29.968 -9.429 1.00 0.00 C ATOM 1198 CG ASP A 80 11.217 -30.439 -8.013 1.00 0.00 C ATOM 1199 OD1 ASP A 80 11.616 -29.728 -7.067 1.00 0.00 O ATOM 1200 OD2 ASP A 80 10.610 -31.518 -7.850 1.00 0.00 O ATOM 0 H ASP A 80 12.225 -27.803 -8.514 1.00 0.00 H new ATOM 0 HA ASP A 80 13.605 -30.169 -9.188 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.773 -29.178 -9.683 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.301 -30.790 -10.121 1.00 0.00 H new ATOM 1205 N GLN A 81 13.855 -30.322 -11.672 1.00 0.00 N ATOM 1206 CA GLN A 81 14.211 -30.305 -13.086 1.00 0.00 C ATOM 1207 C GLN A 81 12.971 -30.448 -13.962 1.00 0.00 C ATOM 1208 O GLN A 81 12.076 -31.237 -13.663 1.00 0.00 O ATOM 1209 CB GLN A 81 15.202 -31.429 -13.398 1.00 0.00 C ATOM 1210 CG GLN A 81 16.652 -31.047 -13.149 1.00 0.00 C ATOM 1211 CD GLN A 81 17.157 -30.004 -14.126 1.00 0.00 C ATOM 1212 OE1 GLN A 81 16.670 -28.873 -14.151 1.00 0.00 O ATOM 1213 NE2 GLN A 81 18.138 -30.378 -14.938 1.00 0.00 N ATOM 0 H GLN A 81 14.135 -31.168 -11.176 1.00 0.00 H new ATOM 0 HA GLN A 81 14.679 -29.345 -13.305 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.955 -32.299 -12.790 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.087 -31.725 -14.441 1.00 0.00 H new ATOM 0 HG2 GLN A 81 16.754 -30.667 -12.133 1.00 0.00 H new ATOM 0 HG3 GLN A 81 17.276 -31.938 -13.220 1.00 0.00 H new ATOM 0 HE21 GLN A 81 18.512 -31.325 -14.883 1.00 0.00 H new ATOM 0 HE22 GLN A 81 18.518 -29.718 -15.617 1.00 0.00 H new ATOM 1222 N ASN A 82 12.925 -29.678 -15.044 1.00 0.00 N ATOM 1223 CA ASN A 82 11.793 -29.718 -15.963 1.00 0.00 C ATOM 1224 C ASN A 82 12.269 -29.721 -17.413 1.00 0.00 C ATOM 1225 O ASN A 82 13.331 -29.186 -17.730 1.00 0.00 O ATOM 1226 CB ASN A 82 10.870 -28.522 -15.721 1.00 0.00 C ATOM 1227 CG ASN A 82 10.978 -27.985 -14.306 1.00 0.00 C ATOM 1228 OD1 ASN A 82 11.151 -28.746 -13.354 1.00 0.00 O ATOM 1229 ND2 ASN A 82 10.876 -26.669 -14.163 1.00 0.00 N ATOM 0 H ASN A 82 13.658 -29.019 -15.306 1.00 0.00 H new ATOM 0 HA ASN A 82 11.240 -30.639 -15.778 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.115 -27.729 -16.427 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.839 -28.817 -15.917 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.941 -26.250 -13.235 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.733 -26.077 -14.981 1.00 0.00 H new ATOM 1236 N VAL A 83 11.475 -30.328 -18.289 1.00 0.00 N ATOM 1237 CA VAL A 83 11.814 -30.400 -19.705 1.00 0.00 C ATOM 1238 C VAL A 83 10.722 -29.771 -20.564 1.00 0.00 C ATOM 1239 O VAL A 83 9.634 -30.328 -20.707 1.00 0.00 O ATOM 1240 CB VAL A 83 12.032 -31.856 -20.157 1.00 0.00 C ATOM 1241 CG1 VAL A 83 12.614 -31.899 -21.562 1.00 0.00 C ATOM 1242 CG2 VAL A 83 12.934 -32.589 -19.175 1.00 0.00 C ATOM 0 H VAL A 83 10.593 -30.777 -18.043 1.00 0.00 H new ATOM 0 HA VAL A 83 12.742 -29.844 -19.837 1.00 0.00 H new ATOM 0 HB VAL A 83 11.066 -32.360 -20.175 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.761 -32.936 -21.863 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.927 -31.413 -22.255 1.00 0.00 H new ATOM 0 HG13 VAL A 83 13.572 -31.378 -21.575 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.077 -33.616 -19.510 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.900 -32.086 -19.123 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.472 -32.590 -18.188 1.00 0.00 H new ATOM 1252 N GLU A 84 11.022 -28.608 -21.134 1.00 0.00 N ATOM 1253 CA GLU A 84 10.065 -27.904 -21.979 1.00 0.00 C ATOM 1254 C GLU A 84 10.156 -28.386 -23.424 1.00 0.00 C ATOM 1255 O GLU A 84 11.198 -28.258 -24.067 1.00 0.00 O ATOM 1256 CB GLU A 84 10.310 -26.395 -21.917 1.00 0.00 C ATOM 1257 CG GLU A 84 9.622 -25.620 -23.028 1.00 0.00 C ATOM 1258 CD GLU A 84 9.944 -24.138 -22.992 1.00 0.00 C ATOM 1259 OE1 GLU A 84 9.973 -23.565 -21.883 1.00 0.00 O ATOM 1260 OE2 GLU A 84 10.166 -23.552 -24.072 1.00 0.00 O ATOM 0 H GLU A 84 11.919 -28.134 -21.026 1.00 0.00 H new ATOM 0 HA GLU A 84 9.064 -28.118 -21.606 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.963 -26.019 -20.955 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.383 -26.207 -21.965 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.923 -26.030 -23.992 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.544 -25.756 -22.947 1.00 0.00 H new ATOM 1267 N TYR A 85 9.059 -28.940 -23.927 1.00 0.00 N ATOM 1268 CA TYR A 85 9.016 -29.445 -25.294 1.00 0.00 C ATOM 1269 C TYR A 85 8.338 -28.442 -26.223 1.00 0.00 C ATOM 1270 O TYR A 85 7.295 -28.728 -26.811 1.00 0.00 O ATOM 1271 CB TYR A 85 8.276 -30.783 -25.343 1.00 0.00 C ATOM 1272 CG TYR A 85 8.593 -31.605 -26.571 1.00 0.00 C ATOM 1273 CD1 TYR A 85 8.894 -30.994 -27.782 1.00 0.00 C ATOM 1274 CD2 TYR A 85 8.592 -32.994 -26.522 1.00 0.00 C ATOM 1275 CE1 TYR A 85 9.184 -31.741 -28.908 1.00 0.00 C ATOM 1276 CE2 TYR A 85 8.882 -33.749 -27.641 1.00 0.00 C ATOM 1277 CZ TYR A 85 9.177 -33.118 -28.832 1.00 0.00 C ATOM 1278 OH TYR A 85 9.465 -33.867 -29.950 1.00 0.00 O ATOM 0 H TYR A 85 8.187 -29.051 -23.409 1.00 0.00 H new ATOM 0 HA TYR A 85 10.042 -29.592 -25.633 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.528 -31.361 -24.454 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.203 -30.597 -25.308 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.901 -29.916 -27.845 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.360 -33.492 -25.592 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.415 -31.249 -29.842 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.878 -34.828 -27.584 1.00 0.00 H new ATOM 0 HH TYR A 85 9.418 -34.820 -29.726 1.00 0.00 H new ATOM 1288 N LYS A 86 8.940 -27.264 -26.351 1.00 0.00 N ATOM 1289 CA LYS A 86 8.398 -26.217 -27.210 1.00 0.00 C ATOM 1290 C LYS A 86 7.068 -25.704 -26.669 1.00 0.00 C ATOM 1291 O LYS A 86 6.155 -25.392 -27.432 1.00 0.00 O ATOM 1292 CB LYS A 86 8.213 -26.743 -28.635 1.00 0.00 C ATOM 1293 CG LYS A 86 9.447 -27.426 -29.197 1.00 0.00 C ATOM 1294 CD LYS A 86 9.078 -28.593 -30.097 1.00 0.00 C ATOM 1295 CE LYS A 86 8.532 -28.115 -31.434 1.00 0.00 C ATOM 1296 NZ LYS A 86 7.596 -29.104 -32.037 1.00 0.00 N ATOM 0 H LYS A 86 9.803 -27.010 -25.871 1.00 0.00 H new ATOM 0 HA LYS A 86 9.107 -25.390 -27.224 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.381 -27.447 -28.648 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.939 -25.913 -29.287 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.039 -26.704 -29.760 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.072 -27.781 -28.378 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.956 -29.217 -30.264 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.334 -29.216 -29.600 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.017 -27.164 -31.297 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.359 -27.933 -32.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.246 -28.741 -32.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.094 -30.004 -32.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.793 -29.259 -31.394 1.00 0.00 H new ATOM 1310 N GLY A 87 6.965 -25.618 -25.346 1.00 0.00 N ATOM 1311 CA GLY A 87 5.743 -25.140 -24.726 1.00 0.00 C ATOM 1312 C GLY A 87 5.517 -25.740 -23.352 1.00 0.00 C ATOM 1313 O GLY A 87 5.745 -25.085 -22.334 1.00 0.00 O ATOM 0 H GLY A 87 7.706 -25.871 -24.693 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.782 -24.054 -24.643 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.895 -25.380 -25.368 1.00 0.00 H new ATOM 1317 N THR A 88 5.066 -26.990 -23.321 1.00 0.00 N ATOM 1318 CA THR A 88 4.806 -27.678 -22.062 1.00 0.00 C ATOM 1319 C THR A 88 6.096 -28.215 -21.453 1.00 0.00 C ATOM 1320 O THR A 88 7.030 -28.576 -22.169 1.00 0.00 O ATOM 1321 CB THR A 88 3.817 -28.843 -22.253 1.00 0.00 C ATOM 1322 OG1 THR A 88 2.786 -28.466 -23.172 1.00 0.00 O ATOM 1323 CG2 THR A 88 3.196 -29.248 -20.924 1.00 0.00 C ATOM 0 H THR A 88 4.873 -27.547 -24.153 1.00 0.00 H new ATOM 0 HA THR A 88 4.366 -26.945 -21.386 1.00 0.00 H new ATOM 0 HB THR A 88 4.366 -29.695 -22.655 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.163 -29.213 -23.289 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.501 -30.072 -21.083 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.981 -29.563 -20.237 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.661 -28.399 -20.499 1.00 0.00 H new ATOM 1331 N VAL A 89 6.141 -28.267 -20.125 1.00 0.00 N ATOM 1332 CA VAL A 89 7.316 -28.762 -19.419 1.00 0.00 C ATOM 1333 C VAL A 89 7.010 -30.066 -18.689 1.00 0.00 C ATOM 1334 O VAL A 89 6.226 -30.088 -17.741 1.00 0.00 O ATOM 1335 CB VAL A 89 7.838 -27.729 -18.403 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.973 -26.914 -19.005 1.00 0.00 C ATOM 1337 CG2 VAL A 89 6.708 -26.822 -17.939 1.00 0.00 C ATOM 0 H VAL A 89 5.377 -27.972 -19.517 1.00 0.00 H new ATOM 0 HA VAL A 89 8.084 -28.941 -20.171 1.00 0.00 H new ATOM 0 HB VAL A 89 8.226 -28.262 -17.535 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.329 -26.189 -18.273 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.790 -27.579 -19.284 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.614 -26.389 -19.890 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.094 -26.098 -17.221 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.289 -26.295 -18.796 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.930 -27.422 -17.466 1.00 0.00 H new ATOM 1347 N TRP A 90 7.634 -31.149 -19.138 1.00 0.00 N ATOM 1348 CA TRP A 90 7.429 -32.457 -18.527 1.00 0.00 C ATOM 1349 C TRP A 90 8.488 -32.735 -17.466 1.00 0.00 C ATOM 1350 O TRP A 90 9.677 -32.496 -17.684 1.00 0.00 O ATOM 1351 CB TRP A 90 7.459 -33.552 -19.594 1.00 0.00 C ATOM 1352 CG TRP A 90 6.584 -33.256 -20.774 1.00 0.00 C ATOM 1353 CD1 TRP A 90 6.797 -32.311 -21.737 1.00 0.00 C ATOM 1354 CD2 TRP A 90 5.354 -33.906 -21.113 1.00 0.00 C ATOM 1355 NE1 TRP A 90 5.775 -32.336 -22.655 1.00 0.00 N ATOM 1356 CE2 TRP A 90 4.878 -33.306 -22.295 1.00 0.00 C ATOM 1357 CE3 TRP A 90 4.611 -34.939 -20.535 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 3.692 -33.705 -22.906 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 3.434 -35.333 -21.143 1.00 0.00 C ATOM 1360 CH2 TRP A 90 2.984 -34.718 -22.318 1.00 0.00 C ATOM 0 H TRP A 90 8.286 -31.147 -19.923 1.00 0.00 H new ATOM 0 HA TRP A 90 6.451 -32.455 -18.046 1.00 0.00 H new ATOM 0 HB2 TRP A 90 8.485 -33.687 -19.936 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.145 -34.495 -19.146 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.644 -31.642 -21.772 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.697 -31.730 -23.472 1.00 0.00 H new ATOM 0 HE3 TRP A 90 4.950 -35.421 -19.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.343 -33.232 -23.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 2.851 -36.129 -20.704 1.00 0.00 H new ATOM 0 HH2 TRP A 90 2.060 -35.050 -22.769 1.00 0.00 H new ATOM 1371 N HIS A 91 8.051 -33.240 -16.317 1.00 0.00 N ATOM 1372 CA HIS A 91 8.963 -33.551 -15.222 1.00 0.00 C ATOM 1373 C HIS A 91 10.120 -34.419 -15.708 1.00 0.00 C ATOM 1374 O HIS A 91 9.910 -35.459 -16.332 1.00 0.00 O ATOM 1375 CB HIS A 91 8.216 -34.263 -14.094 1.00 0.00 C ATOM 1376 CG HIS A 91 7.328 -33.356 -13.298 1.00 0.00 C ATOM 1377 ND1 HIS A 91 5.952 -33.386 -13.382 1.00 0.00 N ATOM 1378 CD2 HIS A 91 7.627 -32.391 -12.398 1.00 0.00 C ATOM 1379 CE1 HIS A 91 5.443 -32.477 -12.569 1.00 0.00 C ATOM 1380 NE2 HIS A 91 6.439 -31.860 -11.959 1.00 0.00 N ATOM 0 H HIS A 91 7.071 -33.443 -16.120 1.00 0.00 H new ATOM 0 HA HIS A 91 9.369 -32.613 -14.844 1.00 0.00 H new ATOM 0 HB2 HIS A 91 7.614 -35.067 -14.518 1.00 0.00 H new ATOM 0 HB3 HIS A 91 8.941 -34.727 -13.425 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.616 -32.094 -12.083 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.392 -32.273 -12.427 1.00 0.00 H new ATOM 0 HE2 HIS A 91 6.342 -31.111 -11.273 1.00 0.00 H new ATOM 1388 N LYS A 92 11.342 -33.984 -15.419 1.00 0.00 N ATOM 1389 CA LYS A 92 12.532 -34.720 -15.826 1.00 0.00 C ATOM 1390 C LYS A 92 12.284 -36.224 -15.781 1.00 0.00 C ATOM 1391 O LYS A 92 12.853 -36.981 -16.568 1.00 0.00 O ATOM 1392 CB LYS A 92 13.713 -34.360 -14.922 1.00 0.00 C ATOM 1393 CG LYS A 92 15.048 -34.876 -15.431 1.00 0.00 C ATOM 1394 CD LYS A 92 15.647 -33.942 -16.469 1.00 0.00 C ATOM 1395 CE LYS A 92 17.116 -34.252 -16.716 1.00 0.00 C ATOM 1396 NZ LYS A 92 17.710 -33.345 -17.737 1.00 0.00 N ATOM 0 H LYS A 92 11.534 -33.125 -14.904 1.00 0.00 H new ATOM 0 HA LYS A 92 12.769 -34.439 -16.852 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.766 -33.276 -14.822 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.533 -34.763 -13.925 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.740 -34.985 -14.596 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.915 -35.867 -15.865 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.093 -34.032 -17.403 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.543 -32.910 -16.134 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.669 -34.158 -15.781 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.219 -35.286 -17.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.711 -33.588 -17.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.199 -33.452 -18.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.635 -32.360 -17.412 1.00 0.00 H new ATOM 1410 N ASP A 93 11.430 -36.651 -14.857 1.00 0.00 N ATOM 1411 CA ASP A 93 11.105 -38.065 -14.712 1.00 0.00 C ATOM 1412 C ASP A 93 10.101 -38.503 -15.774 1.00 0.00 C ATOM 1413 O ASP A 93 10.380 -39.393 -16.577 1.00 0.00 O ATOM 1414 CB ASP A 93 10.542 -38.340 -13.316 1.00 0.00 C ATOM 1415 CG ASP A 93 11.418 -37.771 -12.217 1.00 0.00 C ATOM 1416 OD1 ASP A 93 12.512 -38.326 -11.983 1.00 0.00 O ATOM 1417 OD2 ASP A 93 11.008 -36.772 -11.589 1.00 0.00 O ATOM 0 H ASP A 93 10.951 -36.038 -14.197 1.00 0.00 H new ATOM 0 HA ASP A 93 12.022 -38.639 -14.845 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.543 -37.911 -13.239 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.439 -39.416 -13.174 1.00 0.00 H new ATOM 1422 N CYS A 94 8.931 -37.873 -15.770 1.00 0.00 N ATOM 1423 CA CYS A 94 7.884 -38.198 -16.732 1.00 0.00 C ATOM 1424 C CYS A 94 8.443 -38.237 -18.151 1.00 0.00 C ATOM 1425 O CYS A 94 7.988 -39.018 -18.988 1.00 0.00 O ATOM 1426 CB CYS A 94 6.749 -37.176 -16.646 1.00 0.00 C ATOM 1427 SG CYS A 94 5.990 -37.044 -14.995 1.00 0.00 S ATOM 0 H CYS A 94 8.684 -37.134 -15.111 1.00 0.00 H new ATOM 0 HA CYS A 94 7.493 -39.186 -16.487 1.00 0.00 H new ATOM 0 HB2 CYS A 94 7.132 -36.198 -16.937 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.978 -37.444 -17.368 1.00 0.00 H new ATOM 1432 N PHE A 95 9.430 -37.388 -18.416 1.00 0.00 N ATOM 1433 CA PHE A 95 10.051 -37.325 -19.734 1.00 0.00 C ATOM 1434 C PHE A 95 11.034 -38.475 -19.929 1.00 0.00 C ATOM 1435 O PHE A 95 12.237 -38.319 -19.719 1.00 0.00 O ATOM 1436 CB PHE A 95 10.770 -35.987 -19.918 1.00 0.00 C ATOM 1437 CG PHE A 95 11.016 -35.631 -21.357 1.00 0.00 C ATOM 1438 CD1 PHE A 95 12.182 -36.026 -21.992 1.00 0.00 C ATOM 1439 CD2 PHE A 95 10.081 -34.902 -22.074 1.00 0.00 C ATOM 1440 CE1 PHE A 95 12.412 -35.701 -23.316 1.00 0.00 C ATOM 1441 CE2 PHE A 95 10.304 -34.575 -23.398 1.00 0.00 C ATOM 1442 CZ PHE A 95 11.472 -34.973 -24.019 1.00 0.00 C ATOM 0 H PHE A 95 9.817 -36.734 -17.736 1.00 0.00 H new ATOM 0 HA PHE A 95 9.264 -37.413 -20.483 1.00 0.00 H new ATOM 0 HB2 PHE A 95 10.178 -35.199 -19.453 1.00 0.00 H new ATOM 0 HB3 PHE A 95 11.724 -36.021 -19.392 1.00 0.00 H new ATOM 0 HD1 PHE A 95 12.920 -36.595 -21.446 1.00 0.00 H new ATOM 0 HD2 PHE A 95 9.167 -34.586 -21.593 1.00 0.00 H new ATOM 0 HE1 PHE A 95 13.325 -36.016 -23.800 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.566 -34.009 -23.947 1.00 0.00 H new ATOM 0 HZ PHE A 95 11.650 -34.715 -25.053 1.00 0.00 H new ATOM 1452 N SER A 96 10.513 -39.629 -20.331 1.00 0.00 N ATOM 1453 CA SER A 96 11.344 -40.808 -20.550 1.00 0.00 C ATOM 1454 C SER A 96 11.893 -40.829 -21.973 1.00 0.00 C ATOM 1455 O SER A 96 11.406 -41.569 -22.827 1.00 0.00 O ATOM 1456 CB SER A 96 10.540 -42.082 -20.282 1.00 0.00 C ATOM 1457 OG SER A 96 11.396 -43.191 -20.073 1.00 0.00 O ATOM 0 H SER A 96 9.520 -39.774 -20.512 1.00 0.00 H new ATOM 0 HA SER A 96 12.183 -40.764 -19.856 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.906 -41.938 -19.407 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.879 -42.283 -21.125 1.00 0.00 H new ATOM 0 HG SER A 96 10.858 -43.992 -19.902 1.00 0.00 H new ATOM 1463 N GLY A 97 12.910 -40.010 -22.221 1.00 0.00 N ATOM 1464 CA GLY A 97 13.509 -39.949 -23.541 1.00 0.00 C ATOM 1465 C GLY A 97 14.801 -40.737 -23.629 1.00 0.00 C ATOM 1466 O GLY A 97 14.824 -41.955 -23.446 1.00 0.00 O ATOM 0 H GLY A 97 13.330 -39.387 -21.531 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.802 -40.334 -24.276 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.703 -38.908 -23.801 1.00 0.00 H new ATOM 1470 N PRO A 98 15.908 -40.037 -23.917 1.00 0.00 N ATOM 1471 CA PRO A 98 17.230 -40.659 -24.036 1.00 0.00 C ATOM 1472 C PRO A 98 17.767 -41.142 -22.693 1.00 0.00 C ATOM 1473 O PRO A 98 17.977 -40.348 -21.776 1.00 0.00 O ATOM 1474 CB PRO A 98 18.105 -39.530 -24.587 1.00 0.00 C ATOM 1475 CG PRO A 98 17.427 -38.277 -24.150 1.00 0.00 C ATOM 1476 CD PRO A 98 15.954 -38.583 -24.147 1.00 0.00 C ATOM 0 HA PRO A 98 17.207 -41.547 -24.668 1.00 0.00 H new ATOM 0 HB2 PRO A 98 19.120 -39.588 -24.194 1.00 0.00 H new ATOM 0 HB3 PRO A 98 18.180 -39.581 -25.673 1.00 0.00 H new ATOM 0 HG2 PRO A 98 17.765 -37.976 -23.159 1.00 0.00 H new ATOM 0 HG3 PRO A 98 17.653 -37.454 -24.828 1.00 0.00 H new ATOM 0 HD2 PRO A 98 15.431 -38.035 -23.363 1.00 0.00 H new ATOM 0 HD3 PRO A 98 15.485 -38.311 -25.093 1.00 0.00 H new ATOM 1484 N SER A 99 17.986 -42.448 -22.584 1.00 0.00 N ATOM 1485 CA SER A 99 18.496 -43.037 -21.352 1.00 0.00 C ATOM 1486 C SER A 99 19.506 -44.141 -21.654 1.00 0.00 C ATOM 1487 O SER A 99 19.541 -44.679 -22.760 1.00 0.00 O ATOM 1488 CB SER A 99 17.344 -43.599 -20.516 1.00 0.00 C ATOM 1489 OG SER A 99 16.688 -44.655 -21.197 1.00 0.00 O ATOM 0 H SER A 99 17.818 -43.118 -23.334 1.00 0.00 H new ATOM 0 HA SER A 99 18.999 -42.254 -20.785 1.00 0.00 H new ATOM 0 HB2 SER A 99 17.726 -43.960 -19.561 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.630 -42.806 -20.295 1.00 0.00 H new ATOM 0 HG SER A 99 15.957 -44.998 -20.642 1.00 0.00 H new ATOM 1495 N SER A 100 20.325 -44.472 -20.661 1.00 0.00 N ATOM 1496 CA SER A 100 21.339 -45.508 -20.820 1.00 0.00 C ATOM 1497 C SER A 100 21.100 -46.656 -19.844 1.00 0.00 C ATOM 1498 O SER A 100 21.132 -47.826 -20.223 1.00 0.00 O ATOM 1499 CB SER A 100 22.735 -44.922 -20.605 1.00 0.00 C ATOM 1500 OG SER A 100 23.171 -44.208 -21.749 1.00 0.00 O ATOM 0 H SER A 100 20.306 -44.038 -19.738 1.00 0.00 H new ATOM 0 HA SER A 100 21.269 -45.898 -21.836 1.00 0.00 H new ATOM 0 HB2 SER A 100 22.725 -44.258 -19.740 1.00 0.00 H new ATOM 0 HB3 SER A 100 23.439 -45.724 -20.383 1.00 0.00 H new ATOM 0 HG SER A 100 24.065 -43.842 -21.585 1.00 0.00 H new ATOM 1506 N GLY A 101 20.862 -46.311 -18.582 1.00 0.00 N ATOM 1507 CA GLY A 101 20.622 -47.323 -17.569 1.00 0.00 C ATOM 1508 C GLY A 101 21.656 -47.292 -16.462 1.00 0.00 C ATOM 1509 O GLY A 101 22.517 -46.412 -16.470 1.00 0.00 O ATOM 0 H GLY A 101 20.831 -45.349 -18.243 1.00 0.00 H new ATOM 0 HA2 GLY A 101 19.631 -47.175 -17.140 1.00 0.00 H new ATOM 0 HA3 GLY A 101 20.624 -48.308 -18.036 1.00 0.00 H new TER 1513 GLY A 101 HETATM 1514 ZN ZN A 201 -3.688 11.561 -5.930 1.00 0.00 ZN HETATM 1515 ZN ZN A 401 2.938 -5.098 -7.997 1.00 0.00 ZN HETATM 1516 ZN ZN A 601 4.855 -35.073 -14.558 1.00 0.00 ZN