USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 601 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 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 170:sc= -0.052 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-0.76) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= -0.358 (180deg=-0.392) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.25 X(o=-1.3,f=-1.7) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.507 K(o=-0.51,f=-0.00047) USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0627) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 170:sc=-0.00462 (180deg=-0.246) USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= 1.16 (180deg=0.883) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.55 K(o=0.55,f=-0.01) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 62 THR OG1 : rot 174:sc= -0.747 USER MOD Single : A 63 MET CE :methyl -173:sc= 0 (180deg=-0.0543) USER MOD Single : A 66 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-0.69) USER MOD Single : A 69 ASN : amide:sc= -0.0695 X(o=-0.07,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.159 K(o=-0.16,f=0.4) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.170 -11.731 -14.468 1.00 0.00 N ATOM 2 CA GLY A 1 -9.912 -12.213 -13.124 1.00 0.00 C ATOM 3 C GLY A 1 -9.769 -13.721 -13.067 1.00 0.00 C ATOM 4 O GLY A 1 -9.096 -14.320 -13.906 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.260 -10.695 -14.454 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.383 -12.002 -15.091 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.053 -12.150 -14.824 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.001 -11.750 -12.744 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.725 -11.903 -12.468 1.00 0.00 H new ATOM 8 N SER A 2 -10.402 -14.337 -12.074 1.00 0.00 N ATOM 9 CA SER A 2 -10.338 -15.784 -11.907 1.00 0.00 C ATOM 10 C SER A 2 -11.578 -16.304 -11.186 1.00 0.00 C ATOM 11 O SER A 2 -12.214 -15.579 -10.421 1.00 0.00 O ATOM 12 CB SER A 2 -9.080 -16.174 -11.127 1.00 0.00 C ATOM 13 OG SER A 2 -7.909 -15.756 -11.808 1.00 0.00 O ATOM 0 H SER A 2 -10.965 -13.856 -11.373 1.00 0.00 H new ATOM 0 HA SER A 2 -10.298 -16.237 -12.898 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.109 -15.723 -10.135 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.056 -17.254 -10.985 1.00 0.00 H new ATOM 0 HG SER A 2 -7.132 -15.869 -11.222 1.00 0.00 H new ATOM 19 N SER A 3 -11.915 -17.565 -11.435 1.00 0.00 N ATOM 20 CA SER A 3 -13.081 -18.182 -10.814 1.00 0.00 C ATOM 21 C SER A 3 -12.865 -18.364 -9.314 1.00 0.00 C ATOM 22 O SER A 3 -12.396 -19.409 -8.865 1.00 0.00 O ATOM 23 CB SER A 3 -13.377 -19.534 -11.465 1.00 0.00 C ATOM 24 OG SER A 3 -13.837 -19.370 -12.796 1.00 0.00 O ATOM 0 H SER A 3 -11.397 -18.180 -12.063 1.00 0.00 H new ATOM 0 HA SER A 3 -13.934 -17.520 -10.964 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.476 -20.148 -11.461 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.128 -20.066 -10.880 1.00 0.00 H new ATOM 0 HG SER A 3 -14.017 -20.249 -13.190 1.00 0.00 H new ATOM 30 N GLY A 4 -13.211 -17.337 -8.544 1.00 0.00 N ATOM 31 CA GLY A 4 -13.047 -17.401 -7.104 1.00 0.00 C ATOM 32 C GLY A 4 -14.201 -18.108 -6.421 1.00 0.00 C ATOM 33 O GLY A 4 -14.985 -18.801 -7.069 1.00 0.00 O ATOM 0 H GLY A 4 -13.602 -16.462 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.117 -17.919 -6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.957 -16.390 -6.706 1.00 0.00 H new ATOM 37 N SER A 5 -14.305 -17.935 -5.107 1.00 0.00 N ATOM 38 CA SER A 5 -15.368 -18.567 -4.334 1.00 0.00 C ATOM 39 C SER A 5 -16.518 -17.592 -4.094 1.00 0.00 C ATOM 40 O SER A 5 -16.302 -16.446 -3.702 1.00 0.00 O ATOM 41 CB SER A 5 -14.825 -19.072 -2.996 1.00 0.00 C ATOM 42 OG SER A 5 -14.561 -17.995 -2.114 1.00 0.00 O ATOM 0 H SER A 5 -13.666 -17.362 -4.555 1.00 0.00 H new ATOM 0 HA SER A 5 -15.745 -19.414 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.546 -19.751 -2.540 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.911 -19.642 -3.163 1.00 0.00 H new ATOM 0 HG SER A 5 -14.217 -18.344 -1.265 1.00 0.00 H new ATOM 48 N SER A 6 -17.740 -18.058 -4.333 1.00 0.00 N ATOM 49 CA SER A 6 -18.924 -17.228 -4.148 1.00 0.00 C ATOM 50 C SER A 6 -18.859 -16.478 -2.820 1.00 0.00 C ATOM 51 O SER A 6 -19.122 -17.045 -1.761 1.00 0.00 O ATOM 52 CB SER A 6 -20.188 -18.087 -4.199 1.00 0.00 C ATOM 53 OG SER A 6 -20.499 -18.458 -5.532 1.00 0.00 O ATOM 0 H SER A 6 -17.936 -19.006 -4.655 1.00 0.00 H new ATOM 0 HA SER A 6 -18.956 -16.498 -4.957 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.048 -18.982 -3.592 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.024 -17.536 -3.767 1.00 0.00 H new ATOM 0 HG SER A 6 -21.310 -19.008 -5.538 1.00 0.00 H new ATOM 59 N GLY A 7 -18.506 -15.198 -2.887 1.00 0.00 N ATOM 60 CA GLY A 7 -18.412 -14.390 -1.685 1.00 0.00 C ATOM 61 C GLY A 7 -19.734 -14.287 -0.952 1.00 0.00 C ATOM 62 O GLY A 7 -20.711 -13.764 -1.489 1.00 0.00 O ATOM 0 H GLY A 7 -18.283 -14.706 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.663 -14.820 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.067 -13.390 -1.949 1.00 0.00 H new ATOM 66 N ARG A 8 -19.768 -14.788 0.279 1.00 0.00 N ATOM 67 CA ARG A 8 -20.981 -14.752 1.086 1.00 0.00 C ATOM 68 C ARG A 8 -21.440 -13.314 1.314 1.00 0.00 C ATOM 69 O ARG A 8 -20.849 -12.580 2.106 1.00 0.00 O ATOM 70 CB ARG A 8 -20.745 -15.442 2.431 1.00 0.00 C ATOM 71 CG ARG A 8 -21.943 -15.381 3.365 1.00 0.00 C ATOM 72 CD ARG A 8 -21.858 -16.445 4.449 1.00 0.00 C ATOM 73 NE ARG A 8 -22.035 -17.791 3.910 1.00 0.00 N ATOM 74 CZ ARG A 8 -21.600 -18.888 4.518 1.00 0.00 C ATOM 75 NH1 ARG A 8 -20.966 -18.800 5.679 1.00 0.00 N ATOM 76 NH2 ARG A 8 -21.800 -20.078 3.965 1.00 0.00 N ATOM 0 H ARG A 8 -18.969 -15.224 0.739 1.00 0.00 H new ATOM 0 HA ARG A 8 -21.763 -15.284 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.486 -16.486 2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.888 -14.980 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -21.997 -14.394 3.825 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -22.860 -15.516 2.792 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.891 -16.378 4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -22.620 -16.254 5.205 1.00 0.00 H new ATOM 0 HE ARG A 8 -22.519 -17.894 3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.811 -17.887 6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.633 -19.645 6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -22.288 -20.150 3.072 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -21.465 -20.920 4.433 1.00 0.00 H new ATOM 90 N THR A 9 -22.499 -12.919 0.613 1.00 0.00 N ATOM 91 CA THR A 9 -23.036 -11.570 0.737 1.00 0.00 C ATOM 92 C THR A 9 -23.915 -11.440 1.976 1.00 0.00 C ATOM 93 O THR A 9 -25.005 -12.010 2.039 1.00 0.00 O ATOM 94 CB THR A 9 -23.858 -11.177 -0.505 1.00 0.00 C ATOM 95 OG1 THR A 9 -24.487 -9.907 -0.295 1.00 0.00 O ATOM 96 CG2 THR A 9 -24.916 -12.227 -0.809 1.00 0.00 C ATOM 0 H THR A 9 -23.001 -13.514 -0.046 1.00 0.00 H new ATOM 0 HA THR A 9 -22.183 -10.897 0.828 1.00 0.00 H new ATOM 0 HB THR A 9 -23.179 -11.110 -1.355 1.00 0.00 H new ATOM 0 HG1 THR A 9 -25.006 -9.664 -1.090 1.00 0.00 H new ATOM 0 HG21 THR A 9 -25.483 -11.927 -1.690 1.00 0.00 H new ATOM 0 HG22 THR A 9 -24.433 -13.186 -0.997 1.00 0.00 H new ATOM 0 HG23 THR A 9 -25.590 -12.321 0.042 1.00 0.00 H new ATOM 104 N HIS A 10 -23.435 -10.685 2.959 1.00 0.00 N ATOM 105 CA HIS A 10 -24.178 -10.479 4.197 1.00 0.00 C ATOM 106 C HIS A 10 -24.333 -8.991 4.497 1.00 0.00 C ATOM 107 O HIS A 10 -23.623 -8.156 3.934 1.00 0.00 O ATOM 108 CB HIS A 10 -23.473 -11.175 5.362 1.00 0.00 C ATOM 109 CG HIS A 10 -22.294 -10.416 5.888 1.00 0.00 C ATOM 110 ND1 HIS A 10 -22.328 -9.693 7.062 1.00 0.00 N ATOM 111 CD2 HIS A 10 -21.042 -10.272 5.395 1.00 0.00 C ATOM 112 CE1 HIS A 10 -21.148 -9.135 7.267 1.00 0.00 C ATOM 113 NE2 HIS A 10 -20.349 -9.472 6.270 1.00 0.00 N ATOM 0 H HIS A 10 -22.535 -10.206 2.922 1.00 0.00 H new ATOM 0 HA HIS A 10 -25.171 -10.912 4.072 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -24.188 -11.326 6.171 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -23.144 -12.163 5.039 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -20.659 -10.706 4.483 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -20.882 -8.510 8.107 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -19.376 -9.185 6.167 1.00 0.00 H new ATOM 121 N THR A 11 -25.265 -8.665 5.386 1.00 0.00 N ATOM 122 CA THR A 11 -25.514 -7.278 5.759 1.00 0.00 C ATOM 123 C THR A 11 -24.208 -6.518 5.952 1.00 0.00 C ATOM 124 O THR A 11 -23.220 -7.073 6.432 1.00 0.00 O ATOM 125 CB THR A 11 -26.346 -7.185 7.052 1.00 0.00 C ATOM 126 OG1 THR A 11 -26.625 -5.814 7.357 1.00 0.00 O ATOM 127 CG2 THR A 11 -25.609 -7.828 8.217 1.00 0.00 C ATOM 0 H THR A 11 -25.860 -9.343 5.862 1.00 0.00 H new ATOM 0 HA THR A 11 -26.076 -6.826 4.941 1.00 0.00 H new ATOM 0 HB THR A 11 -27.282 -7.720 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 11 -27.156 -5.763 8.179 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.216 -7.750 9.119 1.00 0.00 H new ATOM 0 HG22 THR A 11 -25.423 -8.879 7.994 1.00 0.00 H new ATOM 0 HG23 THR A 11 -24.659 -7.317 8.374 1.00 0.00 H new ATOM 135 N GLY A 12 -24.209 -5.242 5.577 1.00 0.00 N ATOM 136 CA GLY A 12 -23.017 -4.426 5.718 1.00 0.00 C ATOM 137 C GLY A 12 -23.001 -3.254 4.757 1.00 0.00 C ATOM 138 O GLY A 12 -23.018 -3.440 3.540 1.00 0.00 O ATOM 0 H GLY A 12 -25.014 -4.759 5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -22.953 -4.054 6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -22.135 -5.044 5.548 1.00 0.00 H new ATOM 142 N GLU A 13 -22.968 -2.043 5.303 1.00 0.00 N ATOM 143 CA GLU A 13 -22.952 -0.836 4.485 1.00 0.00 C ATOM 144 C GLU A 13 -21.545 -0.250 4.407 1.00 0.00 C ATOM 145 O GLU A 13 -20.684 -0.562 5.230 1.00 0.00 O ATOM 146 CB GLU A 13 -23.919 0.205 5.053 1.00 0.00 C ATOM 147 CG GLU A 13 -23.592 0.628 6.475 1.00 0.00 C ATOM 148 CD GLU A 13 -24.805 1.144 7.224 1.00 0.00 C ATOM 149 OE1 GLU A 13 -25.202 2.304 6.982 1.00 0.00 O ATOM 150 OE2 GLU A 13 -25.358 0.390 8.051 1.00 0.00 O ATOM 0 H GLU A 13 -22.952 -1.871 6.308 1.00 0.00 H new ATOM 0 HA GLU A 13 -23.271 -1.106 3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -23.911 1.085 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -24.931 -0.199 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -23.170 -0.220 7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -22.827 1.404 6.452 1.00 0.00 H new ATOM 157 N LYS A 14 -21.319 0.599 3.411 1.00 0.00 N ATOM 158 CA LYS A 14 -20.018 1.230 3.223 1.00 0.00 C ATOM 159 C LYS A 14 -20.144 2.750 3.230 1.00 0.00 C ATOM 160 O LYS A 14 -20.650 3.359 2.287 1.00 0.00 O ATOM 161 CB LYS A 14 -19.387 0.766 1.908 1.00 0.00 C ATOM 162 CG LYS A 14 -18.973 -0.695 1.915 1.00 0.00 C ATOM 163 CD LYS A 14 -18.861 -1.250 0.505 1.00 0.00 C ATOM 164 CE LYS A 14 -18.385 -2.694 0.510 1.00 0.00 C ATOM 165 NZ LYS A 14 -16.922 -2.795 0.769 1.00 0.00 N ATOM 0 H LYS A 14 -22.021 0.866 2.721 1.00 0.00 H new ATOM 0 HA LYS A 14 -19.376 0.932 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -20.096 0.930 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -18.513 1.382 1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -18.016 -0.800 2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -19.701 -1.278 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -19.830 -1.187 0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.168 -0.639 -0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.928 -3.253 1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.617 -3.156 -0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.658 -3.794 0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.399 -2.387 -0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.686 -2.274 1.638 1.00 0.00 H new ATOM 179 N PRO A 15 -19.673 3.380 4.317 1.00 0.00 N ATOM 180 CA PRO A 15 -19.720 4.837 4.471 1.00 0.00 C ATOM 181 C PRO A 15 -18.764 5.551 3.522 1.00 0.00 C ATOM 182 O PRO A 15 -19.064 6.637 3.024 1.00 0.00 O ATOM 183 CB PRO A 15 -19.293 5.054 5.924 1.00 0.00 C ATOM 184 CG PRO A 15 -18.467 3.859 6.259 1.00 0.00 C ATOM 185 CD PRO A 15 -19.056 2.717 5.479 1.00 0.00 C ATOM 0 HA PRO A 15 -20.705 5.240 4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -18.720 5.975 6.035 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -20.158 5.135 6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -17.423 4.018 5.989 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -18.492 3.655 7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -18.292 2.002 5.175 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -19.792 2.167 6.065 1.00 0.00 H new ATOM 193 N TYR A 16 -17.613 4.936 3.275 1.00 0.00 N ATOM 194 CA TYR A 16 -16.612 5.515 2.387 1.00 0.00 C ATOM 195 C TYR A 16 -17.009 5.331 0.926 1.00 0.00 C ATOM 196 O TYR A 16 -16.820 4.261 0.349 1.00 0.00 O ATOM 197 CB TYR A 16 -15.245 4.876 2.640 1.00 0.00 C ATOM 198 CG TYR A 16 -14.825 4.899 4.092 1.00 0.00 C ATOM 199 CD1 TYR A 16 -15.317 3.962 4.993 1.00 0.00 C ATOM 200 CD2 TYR A 16 -13.936 5.857 4.563 1.00 0.00 C ATOM 201 CE1 TYR A 16 -14.937 3.980 6.321 1.00 0.00 C ATOM 202 CE2 TYR A 16 -13.549 5.881 5.889 1.00 0.00 C ATOM 203 CZ TYR A 16 -14.052 4.941 6.764 1.00 0.00 C ATOM 204 OH TYR A 16 -13.670 4.961 8.086 1.00 0.00 O ATOM 0 H TYR A 16 -17.350 4.036 3.677 1.00 0.00 H new ATOM 0 HA TYR A 16 -16.551 6.583 2.597 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -15.267 3.843 2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -14.494 5.396 2.045 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -16.008 3.207 4.649 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.541 6.595 3.881 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -15.331 3.246 7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.856 6.632 6.239 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.042 5.699 8.234 1.00 0.00 H new ATOM 214 N ALA A 17 -17.561 6.385 0.332 1.00 0.00 N ATOM 215 CA ALA A 17 -17.982 6.343 -1.062 1.00 0.00 C ATOM 216 C ALA A 17 -17.072 7.197 -1.937 1.00 0.00 C ATOM 217 O ALA A 17 -16.937 8.402 -1.720 1.00 0.00 O ATOM 218 CB ALA A 17 -19.426 6.805 -1.191 1.00 0.00 C ATOM 0 H ALA A 17 -17.727 7.278 0.796 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.909 5.311 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -19.728 6.769 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -20.071 6.151 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -19.515 7.827 -0.823 1.00 0.00 H new ATOM 224 N CYS A 18 -16.448 6.567 -2.927 1.00 0.00 N ATOM 225 CA CYS A 18 -15.549 7.269 -3.835 1.00 0.00 C ATOM 226 C CYS A 18 -16.264 8.432 -4.518 1.00 0.00 C ATOM 227 O CYS A 18 -17.462 8.363 -4.790 1.00 0.00 O ATOM 228 CB CYS A 18 -14.999 6.305 -4.888 1.00 0.00 C ATOM 229 SG CYS A 18 -13.467 6.876 -5.691 1.00 0.00 S ATOM 0 H CYS A 18 -16.549 5.571 -3.121 1.00 0.00 H new ATOM 0 HA CYS A 18 -14.721 7.668 -3.250 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -14.812 5.339 -4.419 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.760 6.146 -5.652 1.00 0.00 H new ATOM 234 N SER A 19 -15.519 9.498 -4.791 1.00 0.00 N ATOM 235 CA SER A 19 -16.082 10.678 -5.438 1.00 0.00 C ATOM 236 C SER A 19 -15.935 10.587 -6.954 1.00 0.00 C ATOM 237 O SER A 19 -16.824 10.996 -7.701 1.00 0.00 O ATOM 238 CB SER A 19 -15.396 11.944 -4.922 1.00 0.00 C ATOM 239 OG SER A 19 -15.864 12.287 -3.629 1.00 0.00 O ATOM 0 H SER A 19 -14.525 9.569 -4.575 1.00 0.00 H new ATOM 0 HA SER A 19 -17.144 10.725 -5.195 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.317 11.791 -4.893 1.00 0.00 H new ATOM 0 HB3 SER A 19 -15.582 12.769 -5.610 1.00 0.00 H new ATOM 0 HG SER A 19 -15.409 13.098 -3.321 1.00 0.00 H new ATOM 245 N HIS A 20 -14.805 10.049 -7.402 1.00 0.00 N ATOM 246 CA HIS A 20 -14.540 9.903 -8.829 1.00 0.00 C ATOM 247 C HIS A 20 -15.576 8.994 -9.483 1.00 0.00 C ATOM 248 O HIS A 20 -16.090 9.297 -10.561 1.00 0.00 O ATOM 249 CB HIS A 20 -13.136 9.341 -9.053 1.00 0.00 C ATOM 250 CG HIS A 20 -12.066 10.389 -9.065 1.00 0.00 C ATOM 251 ND1 HIS A 20 -11.927 11.334 -8.071 1.00 0.00 N ATOM 252 CD2 HIS A 20 -11.079 10.637 -9.958 1.00 0.00 C ATOM 253 CE1 HIS A 20 -10.902 12.119 -8.352 1.00 0.00 C ATOM 254 NE2 HIS A 20 -10.370 11.716 -9.492 1.00 0.00 N ATOM 0 H HIS A 20 -14.058 9.707 -6.797 1.00 0.00 H new ATOM 0 HA HIS A 20 -14.606 10.889 -9.289 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -12.914 8.616 -8.270 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -13.116 8.802 -10.000 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.886 10.088 -10.868 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.558 12.949 -7.752 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -9.563 12.138 -9.951 1.00 0.00 H new ATOM 262 N CYS A 21 -15.877 7.879 -8.827 1.00 0.00 N ATOM 263 CA CYS A 21 -16.850 6.925 -9.345 1.00 0.00 C ATOM 264 C CYS A 21 -17.936 6.640 -8.311 1.00 0.00 C ATOM 265 O CYS A 21 -17.962 7.245 -7.239 1.00 0.00 O ATOM 266 CB CYS A 21 -16.155 5.622 -9.743 1.00 0.00 C ATOM 267 SG CYS A 21 -15.468 4.686 -8.339 1.00 0.00 S ATOM 0 H CYS A 21 -15.461 7.613 -7.935 1.00 0.00 H new ATOM 0 HA CYS A 21 -17.318 7.363 -10.226 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -16.868 4.990 -10.273 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -15.350 5.851 -10.442 1.00 0.00 H new ATOM 272 N ASP A 22 -18.830 5.714 -8.641 1.00 0.00 N ATOM 273 CA ASP A 22 -19.918 5.347 -7.741 1.00 0.00 C ATOM 274 C ASP A 22 -19.583 4.070 -6.976 1.00 0.00 C ATOM 275 O ASP A 22 -20.377 3.130 -6.939 1.00 0.00 O ATOM 276 CB ASP A 22 -21.217 5.161 -8.526 1.00 0.00 C ATOM 277 CG ASP A 22 -22.448 5.416 -7.679 1.00 0.00 C ATOM 278 OD1 ASP A 22 -22.423 6.365 -6.867 1.00 0.00 O ATOM 279 OD2 ASP A 22 -23.436 4.668 -7.828 1.00 0.00 O ATOM 0 H ASP A 22 -18.823 5.204 -9.524 1.00 0.00 H new ATOM 0 HA ASP A 22 -20.050 6.155 -7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -21.221 5.837 -9.381 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.256 4.146 -8.922 1.00 0.00 H new ATOM 284 N LYS A 23 -18.402 4.043 -6.368 1.00 0.00 N ATOM 285 CA LYS A 23 -17.961 2.883 -5.604 1.00 0.00 C ATOM 286 C LYS A 23 -17.925 3.195 -4.112 1.00 0.00 C ATOM 287 O LYS A 23 -17.685 4.335 -3.711 1.00 0.00 O ATOM 288 CB LYS A 23 -16.576 2.433 -6.075 1.00 0.00 C ATOM 289 CG LYS A 23 -16.596 1.685 -7.397 1.00 0.00 C ATOM 290 CD LYS A 23 -16.730 0.186 -7.188 1.00 0.00 C ATOM 291 CE LYS A 23 -16.467 -0.582 -8.474 1.00 0.00 C ATOM 292 NZ LYS A 23 -16.394 -2.051 -8.239 1.00 0.00 N ATOM 0 H LYS A 23 -17.733 4.812 -6.390 1.00 0.00 H new ATOM 0 HA LYS A 23 -18.675 2.077 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.933 3.308 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -16.132 1.793 -5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.425 2.044 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.680 1.896 -7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.029 -0.139 -6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.732 -0.044 -6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.258 -0.368 -9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.532 -0.238 -8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.214 -2.538 -9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.623 -2.258 -7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.295 -2.384 -7.840 1.00 0.00 H new ATOM 306 N THR A 24 -18.164 2.176 -3.292 1.00 0.00 N ATOM 307 CA THR A 24 -18.159 2.342 -1.844 1.00 0.00 C ATOM 308 C THR A 24 -17.276 1.296 -1.174 1.00 0.00 C ATOM 309 O THR A 24 -17.028 0.227 -1.733 1.00 0.00 O ATOM 310 CB THR A 24 -19.582 2.245 -1.262 1.00 0.00 C ATOM 311 OG1 THR A 24 -20.172 0.990 -1.618 1.00 0.00 O ATOM 312 CG2 THR A 24 -20.453 3.384 -1.771 1.00 0.00 C ATOM 0 H THR A 24 -18.364 1.226 -3.607 1.00 0.00 H new ATOM 0 HA THR A 24 -17.759 3.335 -1.641 1.00 0.00 H new ATOM 0 HB THR A 24 -19.513 2.318 -0.177 1.00 0.00 H new ATOM 0 HG1 THR A 24 -21.076 0.935 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.453 3.295 -1.347 1.00 0.00 H new ATOM 0 HG22 THR A 24 -20.016 4.337 -1.473 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.515 3.337 -2.858 1.00 0.00 H new ATOM 320 N PHE A 25 -16.803 1.609 0.028 1.00 0.00 N ATOM 321 CA PHE A 25 -15.947 0.696 0.775 1.00 0.00 C ATOM 322 C PHE A 25 -16.150 0.866 2.278 1.00 0.00 C ATOM 323 O PHE A 25 -16.487 1.951 2.750 1.00 0.00 O ATOM 324 CB PHE A 25 -14.478 0.932 0.417 1.00 0.00 C ATOM 325 CG PHE A 25 -14.241 1.109 -1.055 1.00 0.00 C ATOM 326 CD1 PHE A 25 -14.572 2.298 -1.686 1.00 0.00 C ATOM 327 CD2 PHE A 25 -13.687 0.087 -1.809 1.00 0.00 C ATOM 328 CE1 PHE A 25 -14.354 2.464 -3.041 1.00 0.00 C ATOM 329 CE2 PHE A 25 -13.467 0.248 -3.164 1.00 0.00 C ATOM 330 CZ PHE A 25 -13.802 1.437 -3.781 1.00 0.00 C ATOM 0 H PHE A 25 -16.999 2.489 0.505 1.00 0.00 H new ATOM 0 HA PHE A 25 -16.221 -0.323 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -14.122 1.818 0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -13.886 0.089 0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -15.005 3.104 -1.112 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.424 -0.846 -1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -14.615 3.396 -3.520 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -13.033 -0.556 -3.740 1.00 0.00 H new ATOM 0 HZ PHE A 25 -13.633 1.564 -4.840 1.00 0.00 H new ATOM 340 N ARG A 26 -15.942 -0.215 3.023 1.00 0.00 N ATOM 341 CA ARG A 26 -16.104 -0.187 4.471 1.00 0.00 C ATOM 342 C ARG A 26 -14.886 0.443 5.142 1.00 0.00 C ATOM 343 O ARG A 26 -15.021 1.312 6.004 1.00 0.00 O ATOM 344 CB ARG A 26 -16.320 -1.602 5.009 1.00 0.00 C ATOM 345 CG ARG A 26 -15.205 -2.569 4.648 1.00 0.00 C ATOM 346 CD ARG A 26 -15.696 -4.008 4.637 1.00 0.00 C ATOM 347 NE ARG A 26 -15.480 -4.669 5.921 1.00 0.00 N ATOM 348 CZ ARG A 26 -16.226 -5.675 6.364 1.00 0.00 C ATOM 349 NH1 ARG A 26 -17.230 -6.134 5.630 1.00 0.00 N ATOM 350 NH2 ARG A 26 -15.967 -6.225 7.544 1.00 0.00 N ATOM 0 H ARG A 26 -15.661 -1.121 2.647 1.00 0.00 H new ATOM 0 HA ARG A 26 -16.980 0.420 4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -16.414 -1.558 6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.263 -1.988 4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.804 -2.313 3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.389 -2.468 5.363 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.758 -4.027 4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.179 -4.561 3.853 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.715 -4.340 6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -17.432 -5.715 4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.801 -6.907 5.973 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.195 -5.875 8.111 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.540 -6.997 7.884 1.00 0.00 H new ATOM 364 N GLN A 27 -13.700 -0.001 4.741 1.00 0.00 N ATOM 365 CA GLN A 27 -12.460 0.518 5.304 1.00 0.00 C ATOM 366 C GLN A 27 -11.816 1.531 4.363 1.00 0.00 C ATOM 367 O GLN A 27 -11.585 1.243 3.188 1.00 0.00 O ATOM 368 CB GLN A 27 -11.484 -0.626 5.586 1.00 0.00 C ATOM 369 CG GLN A 27 -11.896 -1.502 6.758 1.00 0.00 C ATOM 370 CD GLN A 27 -11.472 -0.926 8.094 1.00 0.00 C ATOM 371 OE1 GLN A 27 -10.489 -1.367 8.690 1.00 0.00 O ATOM 372 NE2 GLN A 27 -12.214 0.065 8.574 1.00 0.00 N ATOM 0 H GLN A 27 -13.572 -0.719 4.028 1.00 0.00 H new ATOM 0 HA GLN A 27 -12.699 1.021 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.396 -1.245 4.694 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.496 -0.209 5.784 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.978 -1.629 6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.457 -2.493 6.638 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.020 0.400 8.047 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.977 0.491 9.470 1.00 0.00 H new ATOM 381 N LYS A 28 -11.529 2.718 4.885 1.00 0.00 N ATOM 382 CA LYS A 28 -10.911 3.775 4.093 1.00 0.00 C ATOM 383 C LYS A 28 -9.784 3.218 3.229 1.00 0.00 C ATOM 384 O LYS A 28 -9.678 3.544 2.047 1.00 0.00 O ATOM 385 CB LYS A 28 -10.371 4.877 5.007 1.00 0.00 C ATOM 386 CG LYS A 28 -9.565 5.934 4.273 1.00 0.00 C ATOM 387 CD LYS A 28 -9.170 7.075 5.197 1.00 0.00 C ATOM 388 CE LYS A 28 -9.039 8.386 4.438 1.00 0.00 C ATOM 389 NZ LYS A 28 -10.368 8.949 4.071 1.00 0.00 N ATOM 0 H LYS A 28 -11.715 2.973 5.855 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.673 4.197 3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.207 5.357 5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.746 4.425 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.669 5.481 3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.149 6.325 3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.916 7.182 5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.224 6.839 5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.495 9.107 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.450 8.226 3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.253 9.934 3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.783 8.386 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.997 8.921 4.898 1.00 0.00 H new ATOM 403 N GLN A 29 -8.947 2.376 3.827 1.00 0.00 N ATOM 404 CA GLN A 29 -7.829 1.774 3.110 1.00 0.00 C ATOM 405 C GLN A 29 -8.270 1.265 1.742 1.00 0.00 C ATOM 406 O GLN A 29 -7.613 1.519 0.732 1.00 0.00 O ATOM 407 CB GLN A 29 -7.231 0.627 3.927 1.00 0.00 C ATOM 408 CG GLN A 29 -6.194 -0.185 3.167 1.00 0.00 C ATOM 409 CD GLN A 29 -4.794 0.379 3.307 1.00 0.00 C ATOM 410 OE1 GLN A 29 -4.428 1.339 2.627 1.00 0.00 O ATOM 411 NE2 GLN A 29 -4.002 -0.215 4.191 1.00 0.00 N ATOM 0 H GLN A 29 -9.022 2.096 4.805 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.069 2.541 2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.772 1.034 4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.034 -0.036 4.250 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.206 -1.213 3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.465 -0.217 2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.347 -1.007 4.733 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.049 0.121 4.328 1.00 0.00 H new ATOM 420 N LEU A 30 -9.385 0.544 1.716 1.00 0.00 N ATOM 421 CA LEU A 30 -9.915 -0.003 0.471 1.00 0.00 C ATOM 422 C LEU A 30 -10.146 1.103 -0.554 1.00 0.00 C ATOM 423 O LEU A 30 -9.583 1.077 -1.649 1.00 0.00 O ATOM 424 CB LEU A 30 -11.222 -0.751 0.735 1.00 0.00 C ATOM 425 CG LEU A 30 -11.091 -2.242 1.050 1.00 0.00 C ATOM 426 CD1 LEU A 30 -10.252 -2.451 2.302 1.00 0.00 C ATOM 427 CD2 LEU A 30 -12.465 -2.875 1.214 1.00 0.00 C ATOM 0 H LEU A 30 -9.940 0.324 2.543 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.181 -0.700 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.732 -0.268 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.864 -0.640 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.587 -2.728 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.170 -3.518 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.257 -2.034 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.728 -1.952 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.353 -3.936 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.996 -2.386 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.032 -2.757 0.291 1.00 0.00 H new ATOM 439 N LEU A 31 -10.976 2.074 -0.191 1.00 0.00 N ATOM 440 CA LEU A 31 -11.281 3.192 -1.078 1.00 0.00 C ATOM 441 C LEU A 31 -10.008 3.926 -1.486 1.00 0.00 C ATOM 442 O LEU A 31 -9.949 4.545 -2.548 1.00 0.00 O ATOM 443 CB LEU A 31 -12.247 4.162 -0.396 1.00 0.00 C ATOM 444 CG LEU A 31 -12.395 5.535 -1.053 1.00 0.00 C ATOM 445 CD1 LEU A 31 -12.798 5.387 -2.512 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.413 6.379 -0.300 1.00 0.00 C ATOM 0 H LEU A 31 -11.450 2.110 0.711 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.752 2.793 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.230 3.694 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.918 4.307 0.633 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.431 6.042 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.899 6.374 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.034 4.820 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.750 4.860 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.506 7.353 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.380 5.876 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.083 6.513 0.730 1.00 0.00 H new ATOM 458 N ASP A 32 -8.990 3.851 -0.635 1.00 0.00 N ATOM 459 CA ASP A 32 -7.716 4.506 -0.908 1.00 0.00 C ATOM 460 C ASP A 32 -6.944 3.762 -1.994 1.00 0.00 C ATOM 461 O ASP A 32 -6.494 4.362 -2.970 1.00 0.00 O ATOM 462 CB ASP A 32 -6.876 4.586 0.367 1.00 0.00 C ATOM 463 CG ASP A 32 -5.778 5.628 0.273 1.00 0.00 C ATOM 464 OD1 ASP A 32 -6.084 6.778 -0.104 1.00 0.00 O ATOM 465 OD2 ASP A 32 -4.614 5.293 0.577 1.00 0.00 O ATOM 0 H ASP A 32 -9.022 3.343 0.249 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.923 5.516 -1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.524 4.821 1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.432 3.611 0.568 1.00 0.00 H new ATOM 470 N MET A 33 -6.795 2.454 -1.816 1.00 0.00 N ATOM 471 CA MET A 33 -6.077 1.629 -2.782 1.00 0.00 C ATOM 472 C MET A 33 -6.867 1.501 -4.080 1.00 0.00 C ATOM 473 O MET A 33 -6.289 1.363 -5.159 1.00 0.00 O ATOM 474 CB MET A 33 -5.807 0.241 -2.197 1.00 0.00 C ATOM 475 CG MET A 33 -7.062 -0.597 -2.014 1.00 0.00 C ATOM 476 SD MET A 33 -6.733 -2.367 -2.100 1.00 0.00 S ATOM 477 CE MET A 33 -8.217 -3.024 -1.340 1.00 0.00 C ATOM 0 H MET A 33 -7.161 1.942 -1.013 1.00 0.00 H new ATOM 0 HA MET A 33 -5.126 2.114 -3.002 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.117 -0.292 -2.851 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.311 0.352 -1.233 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.514 -0.362 -1.050 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.789 -0.329 -2.781 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.248 -4.105 -1.477 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.213 -2.793 -0.275 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.094 -2.574 -1.805 1.00 0.00 H new ATOM 487 N HIS A 34 -8.191 1.548 -3.970 1.00 0.00 N ATOM 488 CA HIS A 34 -9.059 1.437 -5.137 1.00 0.00 C ATOM 489 C HIS A 34 -8.786 2.566 -6.126 1.00 0.00 C ATOM 490 O HIS A 34 -8.733 2.345 -7.336 1.00 0.00 O ATOM 491 CB HIS A 34 -10.527 1.462 -4.710 1.00 0.00 C ATOM 492 CG HIS A 34 -11.441 2.053 -5.740 1.00 0.00 C ATOM 493 ND1 HIS A 34 -11.991 1.318 -6.768 1.00 0.00 N ATOM 494 CD2 HIS A 34 -11.901 3.317 -5.895 1.00 0.00 C ATOM 495 CE1 HIS A 34 -12.749 2.104 -7.512 1.00 0.00 C ATOM 496 NE2 HIS A 34 -12.711 3.322 -7.003 1.00 0.00 N ATOM 0 H HIS A 34 -8.686 1.662 -3.085 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.847 0.488 -5.629 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -10.850 0.444 -4.490 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -10.618 2.032 -3.785 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -11.837 0.323 -6.929 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -11.673 4.164 -5.264 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -13.305 1.802 -8.387 1.00 0.00 H new ATOM 504 N PHE A 35 -8.614 3.776 -5.604 1.00 0.00 N ATOM 505 CA PHE A 35 -8.348 4.939 -6.442 1.00 0.00 C ATOM 506 C PHE A 35 -7.002 4.804 -7.149 1.00 0.00 C ATOM 507 O PHE A 35 -6.925 4.845 -8.377 1.00 0.00 O ATOM 508 CB PHE A 35 -8.368 6.216 -5.600 1.00 0.00 C ATOM 509 CG PHE A 35 -8.253 7.473 -6.414 1.00 0.00 C ATOM 510 CD1 PHE A 35 -7.065 7.796 -7.049 1.00 0.00 C ATOM 511 CD2 PHE A 35 -9.332 8.332 -6.544 1.00 0.00 C ATOM 512 CE1 PHE A 35 -6.955 8.952 -7.798 1.00 0.00 C ATOM 513 CE2 PHE A 35 -9.229 9.490 -7.292 1.00 0.00 C ATOM 514 CZ PHE A 35 -8.039 9.800 -7.921 1.00 0.00 C ATOM 0 H PHE A 35 -8.654 3.976 -4.605 1.00 0.00 H new ATOM 0 HA PHE A 35 -9.131 4.998 -7.198 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.294 6.248 -5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.548 6.181 -4.882 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.215 7.136 -6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.265 8.094 -6.055 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.023 9.193 -8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -10.078 10.151 -7.384 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.956 10.703 -8.508 1.00 0.00 H new ATOM 524 N LYS A 36 -5.942 4.644 -6.364 1.00 0.00 N ATOM 525 CA LYS A 36 -4.598 4.502 -6.911 1.00 0.00 C ATOM 526 C LYS A 36 -4.490 3.246 -7.770 1.00 0.00 C ATOM 527 O LYS A 36 -3.482 3.026 -8.441 1.00 0.00 O ATOM 528 CB LYS A 36 -3.567 4.450 -5.781 1.00 0.00 C ATOM 529 CG LYS A 36 -3.114 5.820 -5.308 1.00 0.00 C ATOM 530 CD LYS A 36 -2.468 5.750 -3.935 1.00 0.00 C ATOM 531 CE LYS A 36 -3.507 5.566 -2.839 1.00 0.00 C ATOM 532 NZ LYS A 36 -2.963 4.805 -1.681 1.00 0.00 N ATOM 0 H LYS A 36 -5.988 4.609 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.395 5.369 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.992 3.906 -4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.698 3.886 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.405 6.237 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.969 6.496 -5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.758 4.923 -3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.901 6.663 -3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.855 6.542 -2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.373 5.042 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.560 4.970 -0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.955 3.790 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.993 5.123 -1.482 1.00 0.00 H new ATOM 546 N ARG A 37 -5.536 2.425 -7.745 1.00 0.00 N ATOM 547 CA ARG A 37 -5.558 1.192 -8.521 1.00 0.00 C ATOM 548 C ARG A 37 -6.243 1.409 -9.867 1.00 0.00 C ATOM 549 O ARG A 37 -5.633 1.232 -10.922 1.00 0.00 O ATOM 550 CB ARG A 37 -6.276 0.087 -7.743 1.00 0.00 C ATOM 551 CG ARG A 37 -6.339 -1.238 -8.485 1.00 0.00 C ATOM 552 CD ARG A 37 -6.622 -2.393 -7.538 1.00 0.00 C ATOM 553 NE ARG A 37 -8.009 -2.399 -7.081 1.00 0.00 N ATOM 554 CZ ARG A 37 -8.583 -3.440 -6.487 1.00 0.00 C ATOM 555 NH1 ARG A 37 -7.892 -4.553 -6.280 1.00 0.00 N ATOM 556 NH2 ARG A 37 -9.849 -3.368 -6.099 1.00 0.00 N ATOM 0 H ARG A 37 -6.379 2.592 -7.195 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.527 0.888 -8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.768 -0.064 -6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.290 0.415 -7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.116 -1.193 -9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.395 -1.412 -9.002 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.402 -3.335 -8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.957 -2.327 -6.677 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.568 -1.558 -7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.918 -4.611 -6.577 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.335 -5.351 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.383 -2.513 -6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.289 -4.167 -5.643 1.00 0.00 H new ATOM 570 N TYR A 38 -7.515 1.792 -9.823 1.00 0.00 N ATOM 571 CA TYR A 38 -8.284 2.030 -11.038 1.00 0.00 C ATOM 572 C TYR A 38 -7.976 3.408 -11.616 1.00 0.00 C ATOM 573 O TYR A 38 -7.399 3.525 -12.698 1.00 0.00 O ATOM 574 CB TYR A 38 -9.782 1.908 -10.751 1.00 0.00 C ATOM 575 CG TYR A 38 -10.249 0.481 -10.569 1.00 0.00 C ATOM 576 CD1 TYR A 38 -9.836 -0.272 -9.477 1.00 0.00 C ATOM 577 CD2 TYR A 38 -11.102 -0.114 -11.491 1.00 0.00 C ATOM 578 CE1 TYR A 38 -10.260 -1.576 -9.307 1.00 0.00 C ATOM 579 CE2 TYR A 38 -11.532 -1.417 -11.328 1.00 0.00 C ATOM 580 CZ TYR A 38 -11.108 -2.144 -10.235 1.00 0.00 C ATOM 581 OH TYR A 38 -11.533 -3.442 -10.070 1.00 0.00 O ATOM 0 H TYR A 38 -8.035 1.944 -8.959 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.999 1.276 -11.772 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.019 2.476 -9.852 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.339 2.362 -11.571 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.172 0.169 -8.748 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -11.434 0.451 -12.349 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.929 -2.147 -8.452 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -12.197 -1.864 -12.053 1.00 0.00 H new ATOM 0 HH TYR A 38 -12.126 -3.689 -10.810 1.00 0.00 H new ATOM 591 N HIS A 39 -8.366 4.449 -10.887 1.00 0.00 N ATOM 592 CA HIS A 39 -8.132 5.820 -11.326 1.00 0.00 C ATOM 593 C HIS A 39 -6.647 6.062 -11.581 1.00 0.00 C ATOM 594 O HIS A 39 -6.270 7.040 -12.228 1.00 0.00 O ATOM 595 CB HIS A 39 -8.649 6.808 -10.280 1.00 0.00 C ATOM 596 CG HIS A 39 -10.126 6.720 -10.052 1.00 0.00 C ATOM 597 ND1 HIS A 39 -11.052 6.808 -11.071 1.00 0.00 N ATOM 598 CD2 HIS A 39 -10.838 6.549 -8.913 1.00 0.00 C ATOM 599 CE1 HIS A 39 -12.268 6.697 -10.568 1.00 0.00 C ATOM 600 NE2 HIS A 39 -12.166 6.538 -9.261 1.00 0.00 N ATOM 0 H HIS A 39 -8.845 4.369 -9.990 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.673 5.974 -12.259 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.133 6.629 -9.337 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.398 7.821 -10.594 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -10.832 6.938 -12.058 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.436 6.441 -7.916 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.190 6.731 -11.130 1.00 0.00 H new ATOM 608 N ASP A 40 -5.810 5.167 -11.069 1.00 0.00 N ATOM 609 CA ASP A 40 -4.366 5.283 -11.243 1.00 0.00 C ATOM 610 C ASP A 40 -3.748 3.928 -11.572 1.00 0.00 C ATOM 611 O ASP A 40 -3.835 2.974 -10.799 1.00 0.00 O ATOM 612 CB ASP A 40 -3.724 5.857 -9.979 1.00 0.00 C ATOM 613 CG ASP A 40 -2.500 6.697 -10.282 1.00 0.00 C ATOM 614 OD1 ASP A 40 -2.455 7.310 -11.369 1.00 0.00 O ATOM 615 OD2 ASP A 40 -1.587 6.743 -9.431 1.00 0.00 O ATOM 0 H ASP A 40 -6.106 4.353 -10.530 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.178 5.960 -12.077 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.456 6.465 -9.447 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.445 5.040 -9.314 1.00 0.00 H new ATOM 620 N PRO A 41 -3.109 3.839 -12.748 1.00 0.00 N ATOM 621 CA PRO A 41 -2.464 2.606 -13.207 1.00 0.00 C ATOM 622 C PRO A 41 -1.220 2.265 -12.394 1.00 0.00 C ATOM 623 O PRO A 41 -0.571 1.247 -12.632 1.00 0.00 O ATOM 624 CB PRO A 41 -2.085 2.922 -14.656 1.00 0.00 C ATOM 625 CG PRO A 41 -1.957 4.405 -14.700 1.00 0.00 C ATOM 626 CD PRO A 41 -2.966 4.937 -13.720 1.00 0.00 C ATOM 0 HA PRO A 41 -3.118 1.741 -13.102 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.150 2.436 -14.936 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.848 2.570 -15.350 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.948 4.718 -14.430 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.150 4.784 -15.704 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.618 5.853 -13.243 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.914 5.170 -14.205 1.00 0.00 H new ATOM 634 N ASN A 42 -0.893 3.123 -11.433 1.00 0.00 N ATOM 635 CA ASN A 42 0.274 2.911 -10.584 1.00 0.00 C ATOM 636 C ASN A 42 0.088 1.684 -9.698 1.00 0.00 C ATOM 637 O ASN A 42 0.764 0.670 -9.873 1.00 0.00 O ATOM 638 CB ASN A 42 0.530 4.146 -9.717 1.00 0.00 C ATOM 639 CG ASN A 42 1.460 5.140 -10.386 1.00 0.00 C ATOM 640 OD1 ASN A 42 2.639 4.856 -10.599 1.00 0.00 O ATOM 641 ND2 ASN A 42 0.932 6.311 -10.720 1.00 0.00 N ATOM 0 H ASN A 42 -1.419 3.971 -11.223 1.00 0.00 H new ATOM 0 HA ASN A 42 1.136 2.742 -11.230 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.419 4.634 -9.495 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.959 3.835 -8.765 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.509 7.020 -11.173 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.051 6.502 -10.524 1.00 0.00 H new ATOM 648 N PHE A 43 -0.836 1.782 -8.747 1.00 0.00 N ATOM 649 CA PHE A 43 -1.112 0.680 -7.833 1.00 0.00 C ATOM 650 C PHE A 43 -1.570 -0.559 -8.598 1.00 0.00 C ATOM 651 O PHE A 43 -2.489 -0.494 -9.414 1.00 0.00 O ATOM 652 CB PHE A 43 -2.179 1.088 -6.816 1.00 0.00 C ATOM 653 CG PHE A 43 -2.338 0.109 -5.688 1.00 0.00 C ATOM 654 CD1 PHE A 43 -2.795 -1.177 -5.929 1.00 0.00 C ATOM 655 CD2 PHE A 43 -2.031 0.474 -4.387 1.00 0.00 C ATOM 656 CE1 PHE A 43 -2.943 -2.081 -4.894 1.00 0.00 C ATOM 657 CE2 PHE A 43 -2.177 -0.426 -3.348 1.00 0.00 C ATOM 658 CZ PHE A 43 -2.634 -1.704 -3.602 1.00 0.00 C ATOM 0 H PHE A 43 -1.406 2.613 -8.590 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.190 0.439 -7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.923 2.065 -6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.135 1.198 -7.328 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.038 -1.476 -6.938 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.674 1.472 -4.183 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.300 -3.080 -5.095 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.934 -0.130 -2.338 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.750 -2.408 -2.791 1.00 0.00 H new ATOM 668 N VAL A 44 -0.921 -1.688 -8.327 1.00 0.00 N ATOM 669 CA VAL A 44 -1.261 -2.942 -8.988 1.00 0.00 C ATOM 670 C VAL A 44 -1.355 -4.085 -7.983 1.00 0.00 C ATOM 671 O VAL A 44 -0.393 -4.417 -7.291 1.00 0.00 O ATOM 672 CB VAL A 44 -0.225 -3.306 -10.067 1.00 0.00 C ATOM 673 CG1 VAL A 44 1.168 -3.397 -9.462 1.00 0.00 C ATOM 674 CG2 VAL A 44 -0.604 -4.612 -10.750 1.00 0.00 C ATOM 0 H VAL A 44 -0.157 -1.759 -7.655 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.232 -2.797 -9.461 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.218 -2.517 -10.819 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.886 -3.655 -10.240 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.438 -2.436 -9.023 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.179 -4.165 -8.688 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.139 -4.854 -11.510 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.641 -5.412 -10.011 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.582 -4.507 -11.220 1.00 0.00 H new ATOM 684 N PRO A 45 -2.543 -4.703 -7.899 1.00 0.00 N ATOM 685 CA PRO A 45 -2.791 -5.819 -6.982 1.00 0.00 C ATOM 686 C PRO A 45 -2.051 -7.086 -7.397 1.00 0.00 C ATOM 687 O PRO A 45 -2.108 -7.498 -8.555 1.00 0.00 O ATOM 688 CB PRO A 45 -4.305 -6.028 -7.080 1.00 0.00 C ATOM 689 CG PRO A 45 -4.674 -5.502 -8.424 1.00 0.00 C ATOM 690 CD PRO A 45 -3.734 -4.359 -8.694 1.00 0.00 C ATOM 0 HA PRO A 45 -2.440 -5.603 -5.973 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.566 -7.082 -6.982 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.830 -5.494 -6.288 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.577 -6.275 -9.186 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.711 -5.167 -8.441 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.498 -4.274 -9.755 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.162 -3.405 -8.385 1.00 0.00 H new ATOM 698 N ALA A 46 -1.358 -7.699 -6.444 1.00 0.00 N ATOM 699 CA ALA A 46 -0.608 -8.921 -6.711 1.00 0.00 C ATOM 700 C ALA A 46 -1.543 -10.117 -6.858 1.00 0.00 C ATOM 701 O ALA A 46 -2.162 -10.556 -5.890 1.00 0.00 O ATOM 702 CB ALA A 46 0.403 -9.173 -5.602 1.00 0.00 C ATOM 0 H ALA A 46 -1.300 -7.370 -5.480 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.074 -8.792 -7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.956 -10.088 -5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.097 -8.335 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.119 -9.277 -4.651 1.00 0.00 H new ATOM 708 N ALA A 47 -1.639 -10.640 -8.076 1.00 0.00 N ATOM 709 CA ALA A 47 -2.497 -11.786 -8.350 1.00 0.00 C ATOM 710 C ALA A 47 -1.691 -12.955 -8.906 1.00 0.00 C ATOM 711 O ALA A 47 -1.279 -12.942 -10.066 1.00 0.00 O ATOM 712 CB ALA A 47 -3.604 -11.397 -9.319 1.00 0.00 C ATOM 0 H ALA A 47 -1.133 -10.288 -8.889 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.947 -12.104 -7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.237 -12.262 -9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.205 -10.599 -8.883 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.164 -11.051 -10.254 1.00 0.00 H new ATOM 718 N PHE A 48 -1.468 -13.964 -8.071 1.00 0.00 N ATOM 719 CA PHE A 48 -0.710 -15.141 -8.478 1.00 0.00 C ATOM 720 C PHE A 48 -1.506 -16.417 -8.224 1.00 0.00 C ATOM 721 O PHE A 48 -1.762 -16.785 -7.077 1.00 0.00 O ATOM 722 CB PHE A 48 0.623 -15.200 -7.728 1.00 0.00 C ATOM 723 CG PHE A 48 1.496 -14.001 -7.962 1.00 0.00 C ATOM 724 CD1 PHE A 48 1.294 -12.830 -7.248 1.00 0.00 C ATOM 725 CD2 PHE A 48 2.519 -14.044 -8.895 1.00 0.00 C ATOM 726 CE1 PHE A 48 2.096 -11.725 -7.462 1.00 0.00 C ATOM 727 CE2 PHE A 48 3.325 -12.942 -9.113 1.00 0.00 C ATOM 728 CZ PHE A 48 3.113 -11.781 -8.395 1.00 0.00 C ATOM 0 H PHE A 48 -1.802 -13.990 -7.108 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.515 -15.063 -9.548 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.426 -15.293 -6.660 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.162 -16.097 -8.032 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.501 -12.781 -6.516 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.689 -14.949 -9.459 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.928 -10.818 -6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.119 -12.989 -9.843 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.741 -10.919 -8.563 1.00 0.00 H new ATOM 738 N VAL A 49 -1.897 -17.089 -9.303 1.00 0.00 N ATOM 739 CA VAL A 49 -2.664 -18.324 -9.198 1.00 0.00 C ATOM 740 C VAL A 49 -1.793 -19.539 -9.498 1.00 0.00 C ATOM 741 O VAL A 49 -0.918 -19.491 -10.363 1.00 0.00 O ATOM 742 CB VAL A 49 -3.869 -18.320 -10.158 1.00 0.00 C ATOM 743 CG1 VAL A 49 -4.380 -19.735 -10.380 1.00 0.00 C ATOM 744 CG2 VAL A 49 -4.974 -17.423 -9.620 1.00 0.00 C ATOM 0 H VAL A 49 -1.695 -16.798 -10.260 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.027 -18.385 -8.172 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.545 -17.922 -11.120 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.231 -19.712 -11.061 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.586 -20.345 -10.812 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.689 -20.164 -9.427 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.818 -17.431 -10.310 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.298 -17.789 -8.646 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.599 -16.405 -9.518 1.00 0.00 H new ATOM 754 N CYS A 50 -2.039 -20.629 -8.779 1.00 0.00 N ATOM 755 CA CYS A 50 -1.278 -21.858 -8.967 1.00 0.00 C ATOM 756 C CYS A 50 -1.650 -22.531 -10.285 1.00 0.00 C ATOM 757 O CYS A 50 -2.822 -22.581 -10.660 1.00 0.00 O ATOM 758 CB CYS A 50 -1.526 -22.819 -7.803 1.00 0.00 C ATOM 759 SG CYS A 50 -0.237 -24.091 -7.601 1.00 0.00 S ATOM 0 H CYS A 50 -2.760 -20.686 -8.060 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.219 -21.600 -8.997 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.601 -22.243 -6.880 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.487 -23.311 -7.951 1.00 0.00 H new ATOM 764 N SER A 51 -0.644 -23.048 -10.983 1.00 0.00 N ATOM 765 CA SER A 51 -0.864 -23.716 -12.261 1.00 0.00 C ATOM 766 C SER A 51 -0.990 -25.225 -12.071 1.00 0.00 C ATOM 767 O SER A 51 -1.182 -25.969 -13.032 1.00 0.00 O ATOM 768 CB SER A 51 0.281 -23.405 -13.227 1.00 0.00 C ATOM 769 OG SER A 51 0.014 -22.230 -13.973 1.00 0.00 O ATOM 0 H SER A 51 0.331 -23.017 -10.685 1.00 0.00 H new ATOM 0 HA SER A 51 -1.797 -23.342 -12.683 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.209 -23.282 -12.668 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.427 -24.245 -13.906 1.00 0.00 H new ATOM 0 HG SER A 51 0.761 -22.052 -14.582 1.00 0.00 H new ATOM 775 N LYS A 52 -0.878 -25.669 -10.824 1.00 0.00 N ATOM 776 CA LYS A 52 -0.980 -27.088 -10.505 1.00 0.00 C ATOM 777 C LYS A 52 -2.395 -27.447 -10.064 1.00 0.00 C ATOM 778 O LYS A 52 -3.039 -28.315 -10.653 1.00 0.00 O ATOM 779 CB LYS A 52 0.018 -27.457 -9.405 1.00 0.00 C ATOM 780 CG LYS A 52 1.470 -27.335 -9.834 1.00 0.00 C ATOM 781 CD LYS A 52 2.416 -27.815 -8.746 1.00 0.00 C ATOM 782 CE LYS A 52 3.800 -28.112 -9.302 1.00 0.00 C ATOM 783 NZ LYS A 52 3.889 -29.490 -9.860 1.00 0.00 N ATOM 0 H LYS A 52 -0.716 -25.066 -10.017 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.745 -27.655 -11.406 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.152 -26.814 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.172 -28.481 -9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.632 -27.917 -10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.692 -26.296 -10.078 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.491 -27.056 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.010 -28.712 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.042 -27.388 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.542 -27.991 -8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.847 -29.654 -10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.683 -30.182 -9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.198 -29.598 -10.630 1.00 0.00 H new ATOM 797 N CYS A 53 -2.875 -26.772 -9.024 1.00 0.00 N ATOM 798 CA CYS A 53 -4.214 -27.018 -8.504 1.00 0.00 C ATOM 799 C CYS A 53 -5.180 -25.925 -8.950 1.00 0.00 C ATOM 800 O CYS A 53 -6.314 -26.204 -9.338 1.00 0.00 O ATOM 801 CB CYS A 53 -4.184 -27.095 -6.977 1.00 0.00 C ATOM 802 SG CYS A 53 -3.627 -25.563 -6.165 1.00 0.00 S ATOM 0 H CYS A 53 -2.355 -26.050 -8.525 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.562 -27.971 -8.903 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.183 -27.342 -6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.527 -27.911 -6.678 1.00 0.00 H new ATOM 807 N GLY A 54 -4.722 -24.678 -8.893 1.00 0.00 N ATOM 808 CA GLY A 54 -5.558 -23.561 -9.294 1.00 0.00 C ATOM 809 C GLY A 54 -5.991 -22.709 -8.118 1.00 0.00 C ATOM 810 O GLY A 54 -7.111 -22.201 -8.088 1.00 0.00 O ATOM 0 H GLY A 54 -3.787 -24.421 -8.576 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.014 -22.941 -10.007 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.441 -23.939 -9.809 1.00 0.00 H new ATOM 814 N LYS A 55 -5.101 -22.553 -7.143 1.00 0.00 N ATOM 815 CA LYS A 55 -5.396 -21.757 -5.957 1.00 0.00 C ATOM 816 C LYS A 55 -4.998 -20.300 -6.167 1.00 0.00 C ATOM 817 O LYS A 55 -4.476 -19.933 -7.221 1.00 0.00 O ATOM 818 CB LYS A 55 -4.663 -22.327 -4.741 1.00 0.00 C ATOM 819 CG LYS A 55 -5.408 -23.460 -4.057 1.00 0.00 C ATOM 820 CD LYS A 55 -4.497 -24.249 -3.132 1.00 0.00 C ATOM 821 CE LYS A 55 -5.209 -25.458 -2.545 1.00 0.00 C ATOM 822 NZ LYS A 55 -5.889 -25.131 -1.261 1.00 0.00 N ATOM 0 H LYS A 55 -4.169 -22.968 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.471 -21.799 -5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.682 -22.685 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.495 -21.527 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.244 -23.055 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.829 -24.126 -4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.615 -24.577 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.149 -23.604 -2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.943 -25.830 -3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.489 -26.260 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.363 -25.981 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.186 -24.800 -0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.594 -24.384 -1.422 1.00 0.00 H new ATOM 836 N THR A 56 -5.247 -19.472 -5.158 1.00 0.00 N ATOM 837 CA THR A 56 -4.915 -18.055 -5.232 1.00 0.00 C ATOM 838 C THR A 56 -3.959 -17.655 -4.114 1.00 0.00 C ATOM 839 O THR A 56 -4.091 -18.110 -2.978 1.00 0.00 O ATOM 840 CB THR A 56 -6.178 -17.176 -5.150 1.00 0.00 C ATOM 841 OG1 THR A 56 -7.026 -17.636 -4.092 1.00 0.00 O ATOM 842 CG2 THR A 56 -6.941 -17.202 -6.466 1.00 0.00 C ATOM 0 H THR A 56 -5.678 -19.759 -4.279 1.00 0.00 H new ATOM 0 HA THR A 56 -4.431 -17.894 -6.196 1.00 0.00 H new ATOM 0 HB THR A 56 -5.869 -16.151 -4.948 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.826 -17.072 -4.045 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.829 -16.575 -6.384 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.302 -16.825 -7.265 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.240 -18.225 -6.693 1.00 0.00 H new ATOM 850 N PHE A 57 -2.995 -16.801 -4.443 1.00 0.00 N ATOM 851 CA PHE A 57 -2.016 -16.340 -3.467 1.00 0.00 C ATOM 852 C PHE A 57 -1.799 -14.834 -3.582 1.00 0.00 C ATOM 853 O PHE A 57 -2.219 -14.207 -4.556 1.00 0.00 O ATOM 854 CB PHE A 57 -0.687 -17.074 -3.660 1.00 0.00 C ATOM 855 CG PHE A 57 -0.754 -18.535 -3.320 1.00 0.00 C ATOM 856 CD1 PHE A 57 -1.285 -19.446 -4.219 1.00 0.00 C ATOM 857 CD2 PHE A 57 -0.287 -18.998 -2.100 1.00 0.00 C ATOM 858 CE1 PHE A 57 -1.348 -20.791 -3.909 1.00 0.00 C ATOM 859 CE2 PHE A 57 -0.347 -20.343 -1.785 1.00 0.00 C ATOM 860 CZ PHE A 57 -0.879 -21.240 -2.690 1.00 0.00 C ATOM 0 H PHE A 57 -2.871 -16.414 -5.379 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.403 -16.558 -2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.368 -16.965 -4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.074 -16.600 -3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.654 -19.101 -5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.128 -18.301 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.764 -21.491 -4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.022 -20.692 -0.832 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.928 -22.291 -2.445 1.00 0.00 H new ATOM 870 N THR A 58 -1.142 -14.258 -2.581 1.00 0.00 N ATOM 871 CA THR A 58 -0.871 -12.826 -2.568 1.00 0.00 C ATOM 872 C THR A 58 0.580 -12.538 -2.939 1.00 0.00 C ATOM 873 O THR A 58 0.872 -11.555 -3.621 1.00 0.00 O ATOM 874 CB THR A 58 -1.168 -12.210 -1.187 1.00 0.00 C ATOM 875 OG1 THR A 58 -2.554 -12.373 -0.867 1.00 0.00 O ATOM 876 CG2 THR A 58 -0.807 -10.733 -1.165 1.00 0.00 C ATOM 0 H THR A 58 -0.787 -14.762 -1.768 1.00 0.00 H new ATOM 0 HA THR A 58 -1.530 -12.373 -3.309 1.00 0.00 H new ATOM 0 HB THR A 58 -0.561 -12.727 -0.444 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.735 -11.981 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.025 -10.320 -0.180 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.255 -10.615 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.391 -10.204 -1.918 1.00 0.00 H new ATOM 884 N ARG A 59 1.484 -13.400 -2.486 1.00 0.00 N ATOM 885 CA ARG A 59 2.904 -13.237 -2.770 1.00 0.00 C ATOM 886 C ARG A 59 3.394 -14.315 -3.733 1.00 0.00 C ATOM 887 O ARG A 59 3.058 -15.490 -3.587 1.00 0.00 O ATOM 888 CB ARG A 59 3.715 -13.289 -1.474 1.00 0.00 C ATOM 889 CG ARG A 59 5.107 -12.692 -1.601 1.00 0.00 C ATOM 890 CD ARG A 59 5.850 -12.722 -0.275 1.00 0.00 C ATOM 891 NE ARG A 59 6.889 -11.698 -0.206 1.00 0.00 N ATOM 892 CZ ARG A 59 7.393 -11.238 0.934 1.00 0.00 C ATOM 893 NH1 ARG A 59 6.956 -11.709 2.094 1.00 0.00 N ATOM 894 NH2 ARG A 59 8.337 -10.306 0.915 1.00 0.00 N ATOM 0 H ARG A 59 1.258 -14.218 -1.921 1.00 0.00 H new ATOM 0 HA ARG A 59 3.045 -12.264 -3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.171 -12.757 -0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.802 -14.327 -1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.674 -13.245 -2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.032 -11.663 -1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.142 -12.575 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.300 -13.705 -0.134 1.00 0.00 H new ATOM 0 HE ARG A 59 7.247 -11.315 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.231 -12.426 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.345 -11.354 2.968 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.676 -9.942 0.025 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.723 -9.953 1.791 1.00 0.00 H new ATOM 908 N ARG A 60 4.188 -13.906 -4.717 1.00 0.00 N ATOM 909 CA ARG A 60 4.722 -14.836 -5.704 1.00 0.00 C ATOM 910 C ARG A 60 5.628 -15.871 -5.043 1.00 0.00 C ATOM 911 O ARG A 60 5.371 -17.072 -5.116 1.00 0.00 O ATOM 912 CB ARG A 60 5.498 -14.078 -6.783 1.00 0.00 C ATOM 913 CG ARG A 60 5.882 -14.939 -7.975 1.00 0.00 C ATOM 914 CD ARG A 60 7.166 -14.450 -8.625 1.00 0.00 C ATOM 915 NE ARG A 60 6.954 -13.239 -9.415 1.00 0.00 N ATOM 916 CZ ARG A 60 6.529 -13.248 -10.673 1.00 0.00 C ATOM 917 NH1 ARG A 60 6.272 -14.397 -11.282 1.00 0.00 N ATOM 918 NH2 ARG A 60 6.359 -12.105 -11.325 1.00 0.00 N ATOM 0 H ARG A 60 4.476 -12.937 -4.852 1.00 0.00 H new ATOM 0 HA ARG A 60 3.883 -15.356 -6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.895 -13.239 -7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.402 -13.659 -6.342 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.007 -15.973 -7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.075 -14.928 -8.708 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.911 -14.254 -7.854 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.570 -15.234 -9.265 1.00 0.00 H new ATOM 0 HE ARG A 60 7.143 -12.338 -8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.401 -15.278 -10.784 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.946 -14.400 -12.248 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.555 -11.219 -10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.033 -12.113 -12.291 1.00 0.00 H new ATOM 932 N ASN A 61 6.688 -15.395 -4.398 1.00 0.00 N ATOM 933 CA ASN A 61 7.633 -16.279 -3.724 1.00 0.00 C ATOM 934 C ASN A 61 6.899 -17.340 -2.909 1.00 0.00 C ATOM 935 O ASN A 61 7.283 -18.510 -2.901 1.00 0.00 O ATOM 936 CB ASN A 61 8.559 -15.471 -2.813 1.00 0.00 C ATOM 937 CG ASN A 61 9.079 -14.215 -3.486 1.00 0.00 C ATOM 938 OD1 ASN A 61 9.677 -14.275 -4.560 1.00 0.00 O ATOM 939 ND2 ASN A 61 8.853 -13.069 -2.855 1.00 0.00 N ATOM 0 H ASN A 61 6.914 -14.403 -4.328 1.00 0.00 H new ATOM 0 HA ASN A 61 8.230 -16.780 -4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.023 -15.198 -1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.401 -16.094 -2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.180 -12.191 -3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.353 -13.066 -1.966 1.00 0.00 H new ATOM 946 N THR A 62 5.839 -16.923 -2.223 1.00 0.00 N ATOM 947 CA THR A 62 5.051 -17.836 -1.404 1.00 0.00 C ATOM 948 C THR A 62 4.395 -18.914 -2.259 1.00 0.00 C ATOM 949 O THR A 62 4.494 -20.103 -1.959 1.00 0.00 O ATOM 950 CB THR A 62 3.960 -17.086 -0.618 1.00 0.00 C ATOM 951 OG1 THR A 62 4.549 -16.036 0.158 1.00 0.00 O ATOM 952 CG2 THR A 62 3.202 -18.036 0.297 1.00 0.00 C ATOM 0 H THR A 62 5.507 -15.959 -2.218 1.00 0.00 H new ATOM 0 HA THR A 62 5.739 -18.303 -0.700 1.00 0.00 H new ATOM 0 HB THR A 62 3.257 -16.658 -1.333 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.842 -15.503 0.578 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.437 -17.483 0.842 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.730 -18.817 -0.300 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.895 -18.490 1.005 1.00 0.00 H new ATOM 960 N MET A 63 3.724 -18.491 -3.326 1.00 0.00 N ATOM 961 CA MET A 63 3.053 -19.422 -4.225 1.00 0.00 C ATOM 962 C MET A 63 4.059 -20.358 -4.887 1.00 0.00 C ATOM 963 O MET A 63 3.927 -21.580 -4.810 1.00 0.00 O ATOM 964 CB MET A 63 2.271 -18.657 -5.294 1.00 0.00 C ATOM 965 CG MET A 63 1.604 -19.558 -6.321 1.00 0.00 C ATOM 966 SD MET A 63 2.726 -20.054 -7.642 1.00 0.00 S ATOM 967 CE MET A 63 2.322 -18.845 -8.901 1.00 0.00 C ATOM 0 H MET A 63 3.631 -17.510 -3.589 1.00 0.00 H new ATOM 0 HA MET A 63 2.359 -20.021 -3.636 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.509 -18.047 -4.808 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.947 -17.973 -5.807 1.00 0.00 H new ATOM 0 HG2 MET A 63 1.220 -20.448 -5.823 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.748 -19.039 -6.752 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.843 -19.095 -9.825 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.246 -18.849 -9.078 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.631 -17.855 -8.567 1.00 0.00 H new ATOM 977 N ALA A 64 5.062 -19.778 -5.537 1.00 0.00 N ATOM 978 CA ALA A 64 6.090 -20.562 -6.211 1.00 0.00 C ATOM 979 C ALA A 64 6.466 -21.793 -5.393 1.00 0.00 C ATOM 980 O ALA A 64 6.458 -22.914 -5.903 1.00 0.00 O ATOM 981 CB ALA A 64 7.320 -19.705 -6.473 1.00 0.00 C ATOM 0 H ALA A 64 5.185 -18.768 -5.611 1.00 0.00 H new ATOM 0 HA ALA A 64 5.686 -20.901 -7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.080 -20.303 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.047 -18.859 -7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.716 -19.338 -5.526 1.00 0.00 H new ATOM 987 N ARG A 65 6.795 -21.577 -4.124 1.00 0.00 N ATOM 988 CA ARG A 65 7.176 -22.669 -3.237 1.00 0.00 C ATOM 989 C ARG A 65 6.026 -23.659 -3.068 1.00 0.00 C ATOM 990 O ARG A 65 6.221 -24.872 -3.147 1.00 0.00 O ATOM 991 CB ARG A 65 7.597 -22.123 -1.872 1.00 0.00 C ATOM 992 CG ARG A 65 8.820 -21.222 -1.927 1.00 0.00 C ATOM 993 CD ARG A 65 9.453 -21.057 -0.554 1.00 0.00 C ATOM 994 NE ARG A 65 10.662 -20.239 -0.604 1.00 0.00 N ATOM 995 CZ ARG A 65 11.615 -20.280 0.320 1.00 0.00 C ATOM 996 NH1 ARG A 65 11.502 -21.096 1.359 1.00 0.00 N ATOM 997 NH2 ARG A 65 12.686 -19.504 0.205 1.00 0.00 N ATOM 0 H ARG A 65 6.805 -20.655 -3.687 1.00 0.00 H new ATOM 0 HA ARG A 65 8.020 -23.192 -3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.765 -21.566 -1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.802 -22.959 -1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.551 -21.641 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.536 -20.245 -2.318 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.733 -20.599 0.124 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.696 -22.038 -0.146 1.00 0.00 H new ATOM 0 HE ARG A 65 10.781 -19.602 -1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.681 -21.695 1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.236 -21.125 2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.777 -18.876 -0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.418 -19.536 0.915 1.00 0.00 H new ATOM 1011 N HIS A 66 4.828 -23.132 -2.836 1.00 0.00 N ATOM 1012 CA HIS A 66 3.647 -23.968 -2.656 1.00 0.00 C ATOM 1013 C HIS A 66 3.508 -24.965 -3.802 1.00 0.00 C ATOM 1014 O HIS A 66 3.157 -26.126 -3.589 1.00 0.00 O ATOM 1015 CB HIS A 66 2.391 -23.101 -2.564 1.00 0.00 C ATOM 1016 CG HIS A 66 1.135 -23.824 -2.940 1.00 0.00 C ATOM 1017 ND1 HIS A 66 0.488 -24.699 -2.094 1.00 0.00 N ATOM 1018 CD2 HIS A 66 0.406 -23.797 -4.080 1.00 0.00 C ATOM 1019 CE1 HIS A 66 -0.585 -25.180 -2.697 1.00 0.00 C ATOM 1020 NE2 HIS A 66 -0.657 -24.648 -3.904 1.00 0.00 N ATOM 0 H HIS A 66 4.650 -22.130 -2.768 1.00 0.00 H new ATOM 0 HA HIS A 66 3.764 -24.524 -1.726 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.293 -22.725 -1.546 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.510 -22.234 -3.214 1.00 0.00 H new ATOM 0 HD1 HIS A 66 0.790 -24.938 -1.150 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.621 -23.214 -4.964 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.284 -25.887 -2.275 1.00 0.00 H new ATOM 1028 N ALA A 67 3.784 -24.505 -5.018 1.00 0.00 N ATOM 1029 CA ALA A 67 3.691 -25.356 -6.197 1.00 0.00 C ATOM 1030 C ALA A 67 4.499 -26.637 -6.014 1.00 0.00 C ATOM 1031 O ALA A 67 4.002 -27.736 -6.261 1.00 0.00 O ATOM 1032 CB ALA A 67 4.165 -24.603 -7.431 1.00 0.00 C ATOM 0 H ALA A 67 4.074 -23.547 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 67 2.645 -25.632 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.090 -25.251 -8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.543 -23.720 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.202 -24.297 -7.294 1.00 0.00 H new ATOM 1038 N ASP A 68 5.746 -26.487 -5.582 1.00 0.00 N ATOM 1039 CA ASP A 68 6.623 -27.633 -5.366 1.00 0.00 C ATOM 1040 C ASP A 68 5.888 -28.749 -4.632 1.00 0.00 C ATOM 1041 O ASP A 68 5.791 -29.872 -5.127 1.00 0.00 O ATOM 1042 CB ASP A 68 7.860 -27.212 -4.572 1.00 0.00 C ATOM 1043 CG ASP A 68 8.877 -26.482 -5.428 1.00 0.00 C ATOM 1044 OD1 ASP A 68 9.613 -27.155 -6.178 1.00 0.00 O ATOM 1045 OD2 ASP A 68 8.937 -25.237 -5.346 1.00 0.00 O ATOM 0 H ASP A 68 6.173 -25.584 -5.374 1.00 0.00 H new ATOM 0 HA ASP A 68 6.936 -28.009 -6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.556 -26.569 -3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.325 -28.095 -4.134 1.00 0.00 H new ATOM 1050 N ASN A 69 5.372 -28.433 -3.449 1.00 0.00 N ATOM 1051 CA ASN A 69 4.647 -29.411 -2.645 1.00 0.00 C ATOM 1052 C ASN A 69 3.286 -29.719 -3.262 1.00 0.00 C ATOM 1053 O ASN A 69 2.648 -30.715 -2.919 1.00 0.00 O ATOM 1054 CB ASN A 69 4.466 -28.894 -1.216 1.00 0.00 C ATOM 1055 CG ASN A 69 5.752 -28.950 -0.415 1.00 0.00 C ATOM 1056 OD1 ASN A 69 5.918 -29.805 0.455 1.00 0.00 O ATOM 1057 ND2 ASN A 69 6.670 -28.035 -0.705 1.00 0.00 N ATOM 0 H ASN A 69 5.442 -27.508 -3.026 1.00 0.00 H new ATOM 0 HA ASN A 69 5.232 -30.330 -2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.105 -27.866 -1.247 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.701 -29.485 -0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.555 -28.022 -0.199 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.490 -27.345 -1.434 1.00 0.00 H new ATOM 1064 N CYS A 70 2.847 -28.859 -4.174 1.00 0.00 N ATOM 1065 CA CYS A 70 1.562 -29.038 -4.840 1.00 0.00 C ATOM 1066 C CYS A 70 1.673 -30.057 -5.971 1.00 0.00 C ATOM 1067 O CYS A 70 2.750 -30.266 -6.528 1.00 0.00 O ATOM 1068 CB CYS A 70 1.058 -27.702 -5.390 1.00 0.00 C ATOM 1069 SG CYS A 70 -0.626 -27.770 -6.080 1.00 0.00 S ATOM 0 H CYS A 70 3.363 -28.030 -4.469 1.00 0.00 H new ATOM 0 HA CYS A 70 0.849 -29.413 -4.105 1.00 0.00 H new ATOM 0 HB2 CYS A 70 1.082 -26.960 -4.592 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.743 -27.359 -6.165 1.00 0.00 H new ATOM 1074 N ALA A 71 0.552 -30.688 -6.303 1.00 0.00 N ATOM 1075 CA ALA A 71 0.522 -31.683 -7.368 1.00 0.00 C ATOM 1076 C ALA A 71 -0.646 -31.435 -8.318 1.00 0.00 C ATOM 1077 O ALA A 71 -0.507 -31.564 -9.533 1.00 0.00 O ATOM 1078 CB ALA A 71 0.438 -33.083 -6.779 1.00 0.00 C ATOM 0 H ALA A 71 -0.348 -30.528 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 71 1.446 -31.596 -7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.416 -33.816 -7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.307 -33.264 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.470 -33.173 -6.182 1.00 0.00 H new ATOM 1084 N GLY A 72 -1.796 -31.080 -7.754 1.00 0.00 N ATOM 1085 CA GLY A 72 -2.971 -30.821 -8.566 1.00 0.00 C ATOM 1086 C GLY A 72 -4.197 -30.514 -7.730 1.00 0.00 C ATOM 1087 O GLY A 72 -4.145 -30.485 -6.500 1.00 0.00 O ATOM 0 H GLY A 72 -1.935 -30.967 -6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.770 -29.982 -9.233 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.172 -31.688 -9.196 1.00 0.00 H new ATOM 1091 N PRO A 73 -5.333 -30.275 -8.403 1.00 0.00 N ATOM 1092 CA PRO A 73 -6.599 -29.963 -7.733 1.00 0.00 C ATOM 1093 C PRO A 73 -7.175 -31.165 -6.993 1.00 0.00 C ATOM 1094 O PRO A 73 -7.113 -32.294 -7.479 1.00 0.00 O ATOM 1095 CB PRO A 73 -7.519 -29.555 -8.887 1.00 0.00 C ATOM 1096 CG PRO A 73 -6.956 -30.244 -10.082 1.00 0.00 C ATOM 1097 CD PRO A 73 -5.468 -30.293 -9.869 1.00 0.00 C ATOM 0 HA PRO A 73 -6.478 -29.192 -6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.548 -29.863 -8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.529 -28.473 -9.022 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.369 -31.248 -10.184 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.202 -29.703 -10.996 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.029 -31.192 -10.302 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.968 -29.441 -10.329 1.00 0.00 H new ATOM 1105 N ASP A 74 -7.735 -30.915 -5.814 1.00 0.00 N ATOM 1106 CA ASP A 74 -8.324 -31.977 -5.006 1.00 0.00 C ATOM 1107 C ASP A 74 -9.018 -31.402 -3.776 1.00 0.00 C ATOM 1108 O ASP A 74 -8.427 -30.632 -3.020 1.00 0.00 O ATOM 1109 CB ASP A 74 -7.249 -32.978 -4.580 1.00 0.00 C ATOM 1110 CG ASP A 74 -6.548 -32.565 -3.301 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -7.201 -32.577 -2.237 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -5.347 -32.230 -3.364 1.00 0.00 O ATOM 0 H ASP A 74 -7.793 -29.986 -5.397 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.069 -32.492 -5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.704 -33.959 -4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.513 -33.078 -5.378 1.00 0.00 H new ATOM 1117 N GLY A 75 -10.277 -31.782 -3.581 1.00 0.00 N ATOM 1118 CA GLY A 75 -11.032 -31.294 -2.442 1.00 0.00 C ATOM 1119 C GLY A 75 -10.712 -32.051 -1.168 1.00 0.00 C ATOM 1120 O GLY A 75 -9.574 -32.467 -0.953 1.00 0.00 O ATOM 0 H GLY A 75 -10.788 -32.419 -4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.819 -30.235 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.098 -31.378 -2.653 1.00 0.00 H new ATOM 1124 N VAL A 76 -11.719 -32.228 -0.318 1.00 0.00 N ATOM 1125 CA VAL A 76 -11.539 -32.938 0.943 1.00 0.00 C ATOM 1126 C VAL A 76 -11.986 -34.391 0.823 1.00 0.00 C ATOM 1127 O VAL A 76 -12.549 -34.795 -0.194 1.00 0.00 O ATOM 1128 CB VAL A 76 -12.323 -32.264 2.084 1.00 0.00 C ATOM 1129 CG1 VAL A 76 -11.858 -30.829 2.276 1.00 0.00 C ATOM 1130 CG2 VAL A 76 -13.818 -32.316 1.806 1.00 0.00 C ATOM 0 H VAL A 76 -12.668 -31.890 -0.480 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.475 -32.906 1.176 1.00 0.00 H new ATOM 0 HB VAL A 76 -12.129 -32.810 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -12.423 -30.369 3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.796 -30.821 2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.021 -30.268 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.357 -31.835 2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.033 -31.795 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.137 -33.355 1.723 1.00 0.00 H new ATOM 1140 N GLU A 77 -11.731 -35.171 1.869 1.00 0.00 N ATOM 1141 CA GLU A 77 -12.107 -36.580 1.880 1.00 0.00 C ATOM 1142 C GLU A 77 -12.556 -37.012 3.273 1.00 0.00 C ATOM 1143 O GLU A 77 -11.928 -36.668 4.274 1.00 0.00 O ATOM 1144 CB GLU A 77 -10.934 -37.447 1.418 1.00 0.00 C ATOM 1145 CG GLU A 77 -9.697 -37.312 2.289 1.00 0.00 C ATOM 1146 CD GLU A 77 -8.728 -38.465 2.110 1.00 0.00 C ATOM 1147 OE1 GLU A 77 -9.054 -39.587 2.551 1.00 0.00 O ATOM 1148 OE2 GLU A 77 -7.645 -38.246 1.528 1.00 0.00 O ATOM 0 H GLU A 77 -11.266 -34.851 2.719 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.941 -36.713 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.247 -38.491 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.677 -37.180 0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.190 -36.377 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.998 -37.255 3.335 1.00 0.00 H new ATOM 1155 N GLY A 78 -13.648 -37.769 3.328 1.00 0.00 N ATOM 1156 CA GLY A 78 -14.163 -38.235 4.602 1.00 0.00 C ATOM 1157 C GLY A 78 -14.739 -37.112 5.441 1.00 0.00 C ATOM 1158 O GLY A 78 -14.859 -35.980 4.974 1.00 0.00 O ATOM 0 H GLY A 78 -14.185 -38.067 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.934 -38.985 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.363 -38.725 5.157 1.00 0.00 H new ATOM 1162 N GLU A 79 -15.099 -37.426 6.681 1.00 0.00 N ATOM 1163 CA GLU A 79 -15.669 -36.434 7.586 1.00 0.00 C ATOM 1164 C GLU A 79 -14.663 -35.325 7.879 1.00 0.00 C ATOM 1165 O GLU A 79 -13.752 -35.496 8.688 1.00 0.00 O ATOM 1166 CB GLU A 79 -16.110 -37.096 8.892 1.00 0.00 C ATOM 1167 CG GLU A 79 -16.957 -36.195 9.776 1.00 0.00 C ATOM 1168 CD GLU A 79 -18.344 -35.961 9.210 1.00 0.00 C ATOM 1169 OE1 GLU A 79 -19.182 -36.883 9.292 1.00 0.00 O ATOM 1170 OE2 GLU A 79 -18.591 -34.855 8.686 1.00 0.00 O ATOM 0 H GLU A 79 -15.006 -38.359 7.082 1.00 0.00 H new ATOM 0 HA GLU A 79 -16.539 -35.993 7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -16.676 -37.998 8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.226 -37.409 9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -17.043 -36.641 10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.453 -35.237 9.901 1.00 0.00 H new ATOM 1177 N ASN A 80 -14.835 -34.187 7.214 1.00 0.00 N ATOM 1178 CA ASN A 80 -13.942 -33.049 7.402 1.00 0.00 C ATOM 1179 C ASN A 80 -14.235 -32.340 8.721 1.00 0.00 C ATOM 1180 O ASN A 80 -15.335 -32.445 9.263 1.00 0.00 O ATOM 1181 CB ASN A 80 -14.084 -32.065 6.239 1.00 0.00 C ATOM 1182 CG ASN A 80 -15.466 -31.444 6.172 1.00 0.00 C ATOM 1183 OD1 ASN A 80 -15.738 -30.437 6.826 1.00 0.00 O ATOM 1184 ND2 ASN A 80 -16.346 -32.044 5.379 1.00 0.00 N ATOM 0 H ASN A 80 -15.584 -34.028 6.540 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.918 -33.423 7.430 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -13.339 -31.276 6.341 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -13.875 -32.581 5.302 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -17.292 -31.672 5.293 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.076 -32.877 4.856 1.00 0.00 H new ATOM 1191 N SER A 81 -13.243 -31.618 9.231 1.00 0.00 N ATOM 1192 CA SER A 81 -13.392 -30.894 10.488 1.00 0.00 C ATOM 1193 C SER A 81 -14.426 -29.779 10.353 1.00 0.00 C ATOM 1194 O SER A 81 -14.725 -29.325 9.250 1.00 0.00 O ATOM 1195 CB SER A 81 -12.049 -30.308 10.927 1.00 0.00 C ATOM 1196 OG SER A 81 -11.967 -30.222 12.339 1.00 0.00 O ATOM 0 H SER A 81 -12.327 -31.519 8.793 1.00 0.00 H new ATOM 0 HA SER A 81 -13.738 -31.598 11.245 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.237 -30.929 10.550 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.921 -29.317 10.491 1.00 0.00 H new ATOM 0 HG SER A 81 -11.099 -29.846 12.594 1.00 0.00 H new ATOM 1202 N GLY A 82 -14.968 -29.344 11.486 1.00 0.00 N ATOM 1203 CA GLY A 82 -15.962 -28.286 11.474 1.00 0.00 C ATOM 1204 C GLY A 82 -15.486 -27.034 12.183 1.00 0.00 C ATOM 1205 O GLY A 82 -14.288 -26.815 12.364 1.00 0.00 O ATOM 0 H GLY A 82 -14.737 -29.705 12.412 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.215 -28.041 10.442 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -16.875 -28.644 11.950 1.00 0.00 H new ATOM 1209 N PRO A 83 -16.438 -26.184 12.596 1.00 0.00 N ATOM 1210 CA PRO A 83 -16.132 -24.932 13.294 1.00 0.00 C ATOM 1211 C PRO A 83 -15.596 -25.169 14.701 1.00 0.00 C ATOM 1212 O PRO A 83 -15.527 -26.306 15.166 1.00 0.00 O ATOM 1213 CB PRO A 83 -17.485 -24.218 13.350 1.00 0.00 C ATOM 1214 CG PRO A 83 -18.494 -25.312 13.279 1.00 0.00 C ATOM 1215 CD PRO A 83 -17.886 -26.381 12.413 1.00 0.00 C ATOM 0 HA PRO A 83 -15.354 -24.362 12.786 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -17.590 -23.641 14.269 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -17.599 -23.520 12.521 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.722 -25.698 14.273 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.431 -24.952 12.854 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -18.199 -27.377 12.725 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -18.178 -26.267 11.369 1.00 0.00 H new ATOM 1223 N SER A 84 -15.217 -24.087 15.375 1.00 0.00 N ATOM 1224 CA SER A 84 -14.684 -24.178 16.729 1.00 0.00 C ATOM 1225 C SER A 84 -15.073 -22.952 17.550 1.00 0.00 C ATOM 1226 O SER A 84 -15.650 -21.999 17.027 1.00 0.00 O ATOM 1227 CB SER A 84 -13.161 -24.317 16.691 1.00 0.00 C ATOM 1228 OG SER A 84 -12.689 -25.056 17.805 1.00 0.00 O ATOM 0 H SER A 84 -15.269 -23.138 15.005 1.00 0.00 H new ATOM 0 HA SER A 84 -15.112 -25.062 17.203 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.861 -24.813 15.768 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.702 -23.328 16.686 1.00 0.00 H new ATOM 0 HG SER A 84 -11.713 -25.133 17.757 1.00 0.00 H new ATOM 1234 N SER A 85 -14.754 -22.986 18.840 1.00 0.00 N ATOM 1235 CA SER A 85 -15.074 -21.880 19.735 1.00 0.00 C ATOM 1236 C SER A 85 -13.820 -21.086 20.086 1.00 0.00 C ATOM 1237 O SER A 85 -12.705 -21.485 19.753 1.00 0.00 O ATOM 1238 CB SER A 85 -15.733 -22.405 21.013 1.00 0.00 C ATOM 1239 OG SER A 85 -17.139 -22.498 20.860 1.00 0.00 O ATOM 0 H SER A 85 -14.275 -23.767 19.288 1.00 0.00 H new ATOM 0 HA SER A 85 -15.771 -21.218 19.221 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.325 -23.385 21.260 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.498 -21.743 21.846 1.00 0.00 H new ATOM 0 HG SER A 85 -17.537 -22.837 21.689 1.00 0.00 H new ATOM 1245 N GLY A 86 -14.012 -19.956 20.761 1.00 0.00 N ATOM 1246 CA GLY A 86 -12.889 -19.122 21.146 1.00 0.00 C ATOM 1247 C GLY A 86 -12.971 -18.668 22.590 1.00 0.00 C ATOM 1248 O GLY A 86 -13.354 -19.464 23.447 1.00 0.00 O ATOM 0 H GLY A 86 -14.925 -19.604 21.048 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.962 -19.674 20.994 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.850 -18.248 20.496 1.00 0.00 H new TER 1252 GLY A 86 HETATM 1253 ZN ZN A 201 -13.398 5.470 -7.596 1.00 0.00 ZN HETATM 1254 ZN ZN A 401 -1.268 -25.524 -6.018 1.00 0.00 ZN