USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 588 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 1.32 K(o=1.3,f=-4.6!) USER MOD Single : A 26 TYR OH : rot 129:sc= 0.599 USER MOD Single : A 29 ASN : amide:sc= -0.894 K(o=-0.89,f=-0.16) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.0105 (180deg=-0.14) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00174) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 81:sc= 0.263 USER MOD Single : A 44 THR OG1 : rot -47:sc= 0.246 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 86:sc= 0.64 USER MOD Single : A 56 GLN : amide:sc= -0.0674 K(o=-0.067,f=-1.3) USER MOD Single : A 57 ASN : amide:sc= 0.181 X(o=0.18,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.112 (180deg=-0.636) USER MOD Single : A 64 LYS NZ :NH3+ -138:sc= -0.163 (180deg=-0.84) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.079 18.250 18.175 1.00 0.00 N ATOM 2 CA GLY A 1 -10.893 17.317 17.416 1.00 0.00 C ATOM 3 C GLY A 1 -10.438 15.881 17.585 1.00 0.00 C ATOM 4 O GLY A 1 -10.445 15.347 18.694 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.430 19.218 18.026 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.132 18.014 19.186 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.091 18.187 17.856 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.932 17.405 17.733 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.858 17.584 16.360 1.00 0.00 H new ATOM 8 N SER A 2 -10.042 15.254 16.482 1.00 0.00 N ATOM 9 CA SER A 2 -9.587 13.869 16.511 1.00 0.00 C ATOM 10 C SER A 2 -10.614 12.974 17.198 1.00 0.00 C ATOM 11 O SER A 2 -10.276 12.185 18.080 1.00 0.00 O ATOM 12 CB SER A 2 -8.242 13.767 17.233 1.00 0.00 C ATOM 13 OG SER A 2 -7.495 12.657 16.765 1.00 0.00 O ATOM 0 H SER A 2 -10.027 15.683 15.557 1.00 0.00 H new ATOM 0 HA SER A 2 -9.466 13.531 15.482 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.673 14.684 17.079 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.408 13.671 18.306 1.00 0.00 H new ATOM 0 HG SER A 2 -6.639 12.615 17.241 1.00 0.00 H new ATOM 19 N SER A 3 -11.872 13.103 16.786 1.00 0.00 N ATOM 20 CA SER A 3 -12.950 12.310 17.363 1.00 0.00 C ATOM 21 C SER A 3 -13.811 11.686 16.269 1.00 0.00 C ATOM 22 O SER A 3 -14.350 12.387 15.413 1.00 0.00 O ATOM 23 CB SER A 3 -13.817 13.178 18.277 1.00 0.00 C ATOM 24 OG SER A 3 -13.938 14.494 17.767 1.00 0.00 O ATOM 0 H SER A 3 -12.169 13.749 16.055 1.00 0.00 H new ATOM 0 HA SER A 3 -12.503 11.508 17.951 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.806 12.731 18.377 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.380 13.210 19.275 1.00 0.00 H new ATOM 0 HG SER A 3 -14.498 15.028 18.369 1.00 0.00 H new ATOM 30 N GLY A 4 -13.936 10.363 16.304 1.00 0.00 N ATOM 31 CA GLY A 4 -14.732 9.666 15.311 1.00 0.00 C ATOM 32 C GLY A 4 -15.688 8.666 15.932 1.00 0.00 C ATOM 33 O GLY A 4 -16.273 8.927 16.983 1.00 0.00 O ATOM 0 H GLY A 4 -13.500 9.761 17.003 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.299 10.393 14.729 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.070 9.148 14.617 1.00 0.00 H new ATOM 37 N SER A 5 -15.847 7.519 15.279 1.00 0.00 N ATOM 38 CA SER A 5 -16.744 6.479 15.771 1.00 0.00 C ATOM 39 C SER A 5 -16.041 5.125 15.797 1.00 0.00 C ATOM 40 O SER A 5 -15.461 4.695 14.801 1.00 0.00 O ATOM 41 CB SER A 5 -17.996 6.400 14.896 1.00 0.00 C ATOM 42 OG SER A 5 -18.911 5.443 15.400 1.00 0.00 O ATOM 0 H SER A 5 -15.367 7.286 14.409 1.00 0.00 H new ATOM 0 HA SER A 5 -17.037 6.737 16.789 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.475 7.378 14.852 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.715 6.137 13.876 1.00 0.00 H new ATOM 0 HG SER A 5 -19.703 5.413 14.824 1.00 0.00 H new ATOM 48 N SER A 6 -16.099 4.458 16.945 1.00 0.00 N ATOM 49 CA SER A 6 -15.465 3.154 17.104 1.00 0.00 C ATOM 50 C SER A 6 -16.500 2.086 17.446 1.00 0.00 C ATOM 51 O SER A 6 -16.444 1.469 18.509 1.00 0.00 O ATOM 52 CB SER A 6 -14.396 3.213 18.197 1.00 0.00 C ATOM 53 OG SER A 6 -13.201 3.797 17.710 1.00 0.00 O ATOM 0 H SER A 6 -16.578 4.799 17.779 1.00 0.00 H new ATOM 0 HA SER A 6 -14.993 2.889 16.158 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.768 3.790 19.043 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.190 2.207 18.563 1.00 0.00 H new ATOM 0 HG SER A 6 -12.534 3.825 18.428 1.00 0.00 H new ATOM 59 N GLY A 7 -17.444 1.872 16.535 1.00 0.00 N ATOM 60 CA GLY A 7 -18.478 0.879 16.757 1.00 0.00 C ATOM 61 C GLY A 7 -18.163 -0.446 16.090 1.00 0.00 C ATOM 62 O GLY A 7 -16.996 -0.806 15.931 1.00 0.00 O ATOM 0 H GLY A 7 -17.511 2.369 15.647 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.603 0.722 17.828 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.427 1.257 16.377 1.00 0.00 H new ATOM 66 N ARG A 8 -19.204 -1.174 15.702 1.00 0.00 N ATOM 67 CA ARG A 8 -19.032 -2.468 15.052 1.00 0.00 C ATOM 68 C ARG A 8 -18.982 -2.312 13.535 1.00 0.00 C ATOM 69 O ARG A 8 -19.241 -1.232 13.002 1.00 0.00 O ATOM 70 CB ARG A 8 -20.170 -3.413 15.441 1.00 0.00 C ATOM 71 CG ARG A 8 -19.918 -4.171 16.734 1.00 0.00 C ATOM 72 CD ARG A 8 -18.833 -5.222 16.561 1.00 0.00 C ATOM 73 NE ARG A 8 -18.214 -5.585 17.833 1.00 0.00 N ATOM 74 CZ ARG A 8 -17.051 -6.219 17.931 1.00 0.00 C ATOM 75 NH1 ARG A 8 -16.383 -6.557 16.836 1.00 0.00 N ATOM 76 NH2 ARG A 8 -16.553 -6.515 19.124 1.00 0.00 N ATOM 0 H ARG A 8 -20.176 -0.890 15.826 1.00 0.00 H new ATOM 0 HA ARG A 8 -18.086 -2.892 15.388 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -21.090 -2.838 15.541 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.328 -4.129 14.635 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -19.626 -3.471 17.517 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -20.841 -4.650 17.062 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.261 -6.112 16.099 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -18.069 -4.846 15.881 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.702 -5.338 18.694 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.762 -6.330 15.917 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.490 -7.044 16.913 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.063 -6.256 19.968 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.660 -7.002 19.197 1.00 0.00 H new ATOM 90 N LYS A 9 -18.648 -3.396 12.844 1.00 0.00 N ATOM 91 CA LYS A 9 -18.565 -3.382 11.389 1.00 0.00 C ATOM 92 C LYS A 9 -17.623 -2.282 10.909 1.00 0.00 C ATOM 93 O LYS A 9 -17.929 -1.557 9.962 1.00 0.00 O ATOM 94 CB LYS A 9 -19.954 -3.180 10.780 1.00 0.00 C ATOM 95 CG LYS A 9 -20.980 -4.195 11.254 1.00 0.00 C ATOM 96 CD LYS A 9 -22.188 -4.239 10.334 1.00 0.00 C ATOM 97 CE LYS A 9 -23.370 -4.928 10.999 1.00 0.00 C ATOM 98 NZ LYS A 9 -24.350 -5.435 9.999 1.00 0.00 N ATOM 0 H LYS A 9 -18.430 -4.297 13.269 1.00 0.00 H new ATOM 0 HA LYS A 9 -18.169 -4.344 11.063 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -20.307 -2.178 11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -19.877 -3.234 9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -20.521 -5.183 11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -21.301 -3.944 12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -22.469 -3.224 10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -21.928 -4.765 9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -23.011 -5.757 11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -23.866 -4.229 11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -25.141 -5.898 10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -24.712 -4.641 9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -23.883 -6.121 9.372 1.00 0.00 H new ATOM 112 N LYS A 10 -16.475 -2.164 11.567 1.00 0.00 N ATOM 113 CA LYS A 10 -15.486 -1.155 11.206 1.00 0.00 C ATOM 114 C LYS A 10 -15.149 -1.230 9.720 1.00 0.00 C ATOM 115 O LYS A 10 -14.786 -2.289 9.209 1.00 0.00 O ATOM 116 CB LYS A 10 -14.214 -1.337 12.038 1.00 0.00 C ATOM 117 CG LYS A 10 -14.372 -0.921 13.490 1.00 0.00 C ATOM 118 CD LYS A 10 -13.072 -0.378 14.059 1.00 0.00 C ATOM 119 CE LYS A 10 -12.287 -1.461 14.784 1.00 0.00 C ATOM 120 NZ LYS A 10 -11.286 -2.111 13.894 1.00 0.00 N ATOM 0 H LYS A 10 -16.206 -2.755 12.354 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.912 -0.174 11.415 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.911 -2.383 12.000 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.409 -0.756 11.588 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.150 -0.162 13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.700 -1.776 14.081 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.465 0.035 13.253 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.288 0.439 14.747 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.779 -1.027 15.645 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.976 -2.214 15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.772 -2.843 14.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.772 -2.548 13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.613 -1.397 13.549 1.00 0.00 H new ATOM 134 N ARG A 11 -15.271 -0.099 9.033 1.00 0.00 N ATOM 135 CA ARG A 11 -14.979 -0.037 7.606 1.00 0.00 C ATOM 136 C ARG A 11 -13.480 -0.165 7.352 1.00 0.00 C ATOM 137 O ARG A 11 -12.678 -0.145 8.286 1.00 0.00 O ATOM 138 CB ARG A 11 -15.496 1.276 7.014 1.00 0.00 C ATOM 139 CG ARG A 11 -15.872 1.175 5.545 1.00 0.00 C ATOM 140 CD ARG A 11 -16.881 2.243 5.154 1.00 0.00 C ATOM 141 NE ARG A 11 -17.342 2.082 3.777 1.00 0.00 N ATOM 142 CZ ARG A 11 -16.626 2.439 2.716 1.00 0.00 C ATOM 143 NH1 ARG A 11 -15.422 2.972 2.874 1.00 0.00 N ATOM 144 NH2 ARG A 11 -17.113 2.261 1.495 1.00 0.00 N ATOM 0 H ARG A 11 -15.570 0.787 9.441 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.486 -0.871 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -16.367 1.603 7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.732 2.044 7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.977 1.276 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -16.288 0.188 5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.735 2.200 5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -16.430 3.228 5.273 1.00 0.00 H new ATOM 0 HE ARG A 11 -18.264 1.673 3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.044 3.109 3.811 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.874 3.245 2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -18.038 1.850 1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.562 2.535 0.681 1.00 0.00 H new ATOM 158 N ILE A 12 -13.109 -0.298 6.082 1.00 0.00 N ATOM 159 CA ILE A 12 -11.707 -0.429 5.706 1.00 0.00 C ATOM 160 C ILE A 12 -11.024 0.933 5.648 1.00 0.00 C ATOM 161 O ILE A 12 -11.558 1.901 5.107 1.00 0.00 O ATOM 162 CB ILE A 12 -11.554 -1.126 4.341 1.00 0.00 C ATOM 163 CG1 ILE A 12 -12.237 -2.496 4.364 1.00 0.00 C ATOM 164 CG2 ILE A 12 -10.083 -1.268 3.981 1.00 0.00 C ATOM 165 CD1 ILE A 12 -11.680 -3.431 5.413 1.00 0.00 C ATOM 0 H ILE A 12 -13.760 -0.318 5.297 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.230 -1.040 6.473 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.037 -0.513 3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.304 -2.358 4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.134 -2.961 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.991 -1.762 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.624 -0.281 3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.578 -1.863 4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.211 -4.382 5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.620 -3.599 5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.807 -2.987 6.400 1.00 0.00 H new ATOM 177 N PRO A 13 -9.812 1.011 6.218 1.00 0.00 N ATOM 178 CA PRO A 13 -9.028 2.249 6.243 1.00 0.00 C ATOM 179 C PRO A 13 -8.303 2.502 4.925 1.00 0.00 C ATOM 180 O PRO A 13 -8.547 1.820 3.930 1.00 0.00 O ATOM 181 CB PRO A 13 -8.020 2.008 7.369 1.00 0.00 C ATOM 182 CG PRO A 13 -7.874 0.527 7.437 1.00 0.00 C ATOM 183 CD PRO A 13 -9.114 -0.103 6.882 1.00 0.00 C ATOM 0 HA PRO A 13 -9.656 3.126 6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.066 2.490 7.156 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.379 2.414 8.315 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.001 0.207 6.869 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.718 0.210 8.468 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.876 -0.901 6.179 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.725 -0.544 7.670 1.00 0.00 H new ATOM 191 N TYR A 14 -7.410 3.486 4.926 1.00 0.00 N ATOM 192 CA TYR A 14 -6.651 3.830 3.730 1.00 0.00 C ATOM 193 C TYR A 14 -7.574 4.335 2.625 1.00 0.00 C ATOM 194 O TYR A 14 -8.355 3.572 2.056 1.00 0.00 O ATOM 195 CB TYR A 14 -5.861 2.618 3.235 1.00 0.00 C ATOM 196 CG TYR A 14 -5.059 1.934 4.319 1.00 0.00 C ATOM 197 CD1 TYR A 14 -3.979 2.572 4.918 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.379 0.651 4.744 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.243 1.952 5.909 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.649 0.024 5.735 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.582 0.678 6.314 1.00 0.00 C ATOM 202 OH TYR A 14 -2.851 0.056 7.300 1.00 0.00 O ATOM 0 H TYR A 14 -7.194 4.059 5.742 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.955 4.627 3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.553 1.898 2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.186 2.935 2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.711 3.570 4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.213 0.135 4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.407 2.462 6.364 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.913 -0.973 6.055 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.221 -0.836 7.468 1.00 0.00 H new ATOM 212 N SER A 15 -7.478 5.627 2.326 1.00 0.00 N ATOM 213 CA SER A 15 -8.306 6.236 1.292 1.00 0.00 C ATOM 214 C SER A 15 -7.920 5.715 -0.089 1.00 0.00 C ATOM 215 O SER A 15 -6.861 5.113 -0.266 1.00 0.00 O ATOM 216 CB SER A 15 -8.171 7.759 1.332 1.00 0.00 C ATOM 217 OG SER A 15 -8.728 8.290 2.521 1.00 0.00 O ATOM 0 H SER A 15 -6.835 6.272 2.785 1.00 0.00 H new ATOM 0 HA SER A 15 -9.344 5.966 1.486 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.119 8.036 1.265 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.671 8.194 0.467 1.00 0.00 H new ATOM 0 HG SER A 15 -8.627 9.265 2.523 1.00 0.00 H new ATOM 223 N LYS A 16 -8.788 5.952 -1.067 1.00 0.00 N ATOM 224 CA LYS A 16 -8.540 5.510 -2.434 1.00 0.00 C ATOM 225 C LYS A 16 -7.156 5.945 -2.905 1.00 0.00 C ATOM 226 O LYS A 16 -6.456 5.195 -3.584 1.00 0.00 O ATOM 227 CB LYS A 16 -9.610 6.069 -3.375 1.00 0.00 C ATOM 228 CG LYS A 16 -10.875 5.231 -3.425 1.00 0.00 C ATOM 229 CD LYS A 16 -11.834 5.602 -2.305 1.00 0.00 C ATOM 230 CE LYS A 16 -13.274 5.282 -2.676 1.00 0.00 C ATOM 231 NZ LYS A 16 -14.227 5.699 -1.610 1.00 0.00 N ATOM 0 H LYS A 16 -9.670 6.448 -0.938 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.584 4.421 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.867 7.080 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.194 6.144 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.367 5.370 -4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.616 4.175 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.562 5.062 -1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.742 6.665 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.529 5.785 -3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.374 4.211 -2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.198 5.464 -1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.000 5.200 -0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.150 6.725 -1.458 1.00 0.00 H new ATOM 245 N GLY A 17 -6.767 7.163 -2.538 1.00 0.00 N ATOM 246 CA GLY A 17 -5.467 7.676 -2.930 1.00 0.00 C ATOM 247 C GLY A 17 -4.326 6.940 -2.257 1.00 0.00 C ATOM 248 O GLY A 17 -3.338 6.592 -2.903 1.00 0.00 O ATOM 0 H GLY A 17 -7.329 7.803 -1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.359 7.595 -4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.408 8.736 -2.682 1.00 0.00 H new ATOM 252 N GLN A 18 -4.462 6.703 -0.956 1.00 0.00 N ATOM 253 CA GLN A 18 -3.432 6.006 -0.196 1.00 0.00 C ATOM 254 C GLN A 18 -3.248 4.581 -0.707 1.00 0.00 C ATOM 255 O GLN A 18 -2.122 4.111 -0.877 1.00 0.00 O ATOM 256 CB GLN A 18 -3.792 5.984 1.291 1.00 0.00 C ATOM 257 CG GLN A 18 -3.647 7.336 1.971 1.00 0.00 C ATOM 258 CD GLN A 18 -4.211 7.344 3.379 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.409 7.147 3.581 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.347 7.572 4.361 1.00 0.00 N ATOM 0 H GLN A 18 -5.275 6.983 -0.407 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.493 6.544 -0.328 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.820 5.639 1.403 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.155 5.260 1.800 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.593 7.611 2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.155 8.094 1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.362 7.730 4.147 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.668 7.589 5.329 1.00 0.00 H new ATOM 269 N LEU A 19 -4.361 3.897 -0.951 1.00 0.00 N ATOM 270 CA LEU A 19 -4.324 2.524 -1.443 1.00 0.00 C ATOM 271 C LEU A 19 -3.830 2.476 -2.885 1.00 0.00 C ATOM 272 O LEU A 19 -3.322 1.453 -3.344 1.00 0.00 O ATOM 273 CB LEU A 19 -5.712 1.889 -1.346 1.00 0.00 C ATOM 274 CG LEU A 19 -6.289 1.751 0.063 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.801 1.591 0.007 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.653 0.573 0.787 1.00 0.00 C ATOM 0 H LEU A 19 -5.300 4.271 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.629 1.960 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.404 2.482 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.669 0.898 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.060 2.660 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.194 1.494 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.242 2.465 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.051 0.699 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.076 0.490 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.850 -0.344 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.577 0.729 0.859 1.00 0.00 H new ATOM 288 N ARG A 20 -3.980 3.590 -3.594 1.00 0.00 N ATOM 289 CA ARG A 20 -3.549 3.676 -4.984 1.00 0.00 C ATOM 290 C ARG A 20 -2.060 3.365 -5.111 1.00 0.00 C ATOM 291 O ARG A 20 -1.624 2.764 -6.092 1.00 0.00 O ATOM 292 CB ARG A 20 -3.840 5.068 -5.546 1.00 0.00 C ATOM 293 CG ARG A 20 -3.733 5.148 -7.060 1.00 0.00 C ATOM 294 CD ARG A 20 -4.030 6.551 -7.566 1.00 0.00 C ATOM 295 NE ARG A 20 -4.033 6.617 -9.025 1.00 0.00 N ATOM 296 CZ ARG A 20 -4.547 7.631 -9.714 1.00 0.00 C ATOM 297 NH1 ARG A 20 -5.096 8.657 -9.079 1.00 0.00 N ATOM 298 NH2 ARG A 20 -4.513 7.619 -11.040 1.00 0.00 N ATOM 0 H ARG A 20 -4.397 4.446 -3.228 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.108 2.937 -5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.843 5.370 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.146 5.782 -5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.731 4.852 -7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.429 4.442 -7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.999 6.876 -7.186 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.285 7.243 -7.173 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.618 5.843 -9.544 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.125 8.670 -8.059 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.490 9.434 -9.610 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.092 6.831 -11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.908 8.398 -11.567 1.00 0.00 H new ATOM 312 N GLU A 21 -1.287 3.780 -4.112 1.00 0.00 N ATOM 313 CA GLU A 21 0.153 3.547 -4.114 1.00 0.00 C ATOM 314 C GLU A 21 0.480 2.159 -3.571 1.00 0.00 C ATOM 315 O GLU A 21 1.380 1.481 -4.069 1.00 0.00 O ATOM 316 CB GLU A 21 0.865 4.614 -3.280 1.00 0.00 C ATOM 317 CG GLU A 21 0.630 6.031 -3.775 1.00 0.00 C ATOM 318 CD GLU A 21 0.865 6.175 -5.266 1.00 0.00 C ATOM 319 OE1 GLU A 21 2.039 6.136 -5.689 1.00 0.00 O ATOM 320 OE2 GLU A 21 -0.127 6.326 -6.010 1.00 0.00 O ATOM 0 H GLU A 21 -1.633 4.278 -3.292 1.00 0.00 H new ATOM 0 HA GLU A 21 0.504 3.607 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.529 4.539 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.936 4.410 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.392 6.328 -3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.290 6.713 -3.239 1.00 0.00 H new ATOM 327 N LEU A 22 -0.257 1.742 -2.547 1.00 0.00 N ATOM 328 CA LEU A 22 -0.046 0.435 -1.935 1.00 0.00 C ATOM 329 C LEU A 22 -0.332 -0.685 -2.930 1.00 0.00 C ATOM 330 O LEU A 22 0.478 -1.595 -3.105 1.00 0.00 O ATOM 331 CB LEU A 22 -0.938 0.277 -0.702 1.00 0.00 C ATOM 332 CG LEU A 22 -0.633 1.209 0.471 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.785 1.213 1.463 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.662 0.797 1.156 1.00 0.00 C ATOM 0 H LEU A 22 -1.006 2.290 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 22 0.999 0.368 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.973 0.434 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.861 -0.752 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.510 2.221 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.550 1.882 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.692 1.556 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.940 0.204 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.864 1.471 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.568 -0.223 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.484 0.847 0.441 1.00 0.00 H new ATOM 346 N GLU A 23 -1.489 -0.610 -3.582 1.00 0.00 N ATOM 347 CA GLU A 23 -1.880 -1.618 -4.560 1.00 0.00 C ATOM 348 C GLU A 23 -0.876 -1.681 -5.707 1.00 0.00 C ATOM 349 O GLU A 23 -0.539 -2.761 -6.193 1.00 0.00 O ATOM 350 CB GLU A 23 -3.277 -1.314 -5.107 1.00 0.00 C ATOM 351 CG GLU A 23 -4.388 -1.535 -4.095 1.00 0.00 C ATOM 352 CD GLU A 23 -5.768 -1.322 -4.688 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.868 -0.624 -5.719 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.746 -1.852 -4.121 1.00 0.00 O ATOM 0 H GLU A 23 -2.170 0.137 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.896 -2.586 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.307 -0.279 -5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.461 -1.942 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.319 -2.549 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.249 -0.855 -3.254 1.00 0.00 H new ATOM 361 N ARG A 24 -0.401 -0.516 -6.136 1.00 0.00 N ATOM 362 CA ARG A 24 0.563 -0.438 -7.226 1.00 0.00 C ATOM 363 C ARG A 24 1.837 -1.203 -6.881 1.00 0.00 C ATOM 364 O ARG A 24 2.238 -2.117 -7.601 1.00 0.00 O ATOM 365 CB ARG A 24 0.900 1.022 -7.534 1.00 0.00 C ATOM 366 CG ARG A 24 0.068 1.614 -8.661 1.00 0.00 C ATOM 367 CD ARG A 24 0.803 2.748 -9.359 1.00 0.00 C ATOM 368 NE ARG A 24 1.922 2.262 -10.161 1.00 0.00 N ATOM 369 CZ ARG A 24 2.858 3.054 -10.674 1.00 0.00 C ATOM 370 NH1 ARG A 24 2.808 4.363 -10.469 1.00 0.00 N ATOM 371 NH2 ARG A 24 3.845 2.537 -11.393 1.00 0.00 N ATOM 0 H ARG A 24 -0.669 0.387 -5.745 1.00 0.00 H new ATOM 0 HA ARG A 24 0.113 -0.894 -8.108 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.753 1.618 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.956 1.095 -7.796 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.173 0.835 -9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.877 1.982 -8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.108 3.291 -9.999 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.170 3.455 -8.615 1.00 0.00 H new ATOM 0 HE ARG A 24 1.989 1.260 -10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.050 4.764 -9.917 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.527 4.969 -10.864 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.886 1.530 -11.553 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.563 3.146 -11.786 1.00 0.00 H new ATOM 385 N GLU A 25 2.469 -0.821 -5.775 1.00 0.00 N ATOM 386 CA GLU A 25 3.699 -1.471 -5.336 1.00 0.00 C ATOM 387 C GLU A 25 3.490 -2.973 -5.166 1.00 0.00 C ATOM 388 O GLU A 25 4.371 -3.773 -5.482 1.00 0.00 O ATOM 389 CB GLU A 25 4.182 -0.860 -4.018 1.00 0.00 C ATOM 390 CG GLU A 25 5.146 0.300 -4.202 1.00 0.00 C ATOM 391 CD GLU A 25 4.715 1.247 -5.305 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.934 0.919 -6.490 1.00 0.00 O ATOM 393 OE2 GLU A 25 4.158 2.318 -4.982 1.00 0.00 O ATOM 0 H GLU A 25 2.150 -0.066 -5.168 1.00 0.00 H new ATOM 0 HA GLU A 25 4.458 -1.312 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.318 -0.517 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.668 -1.635 -3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.227 0.852 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.138 -0.090 -4.430 1.00 0.00 H new ATOM 400 N TYR A 26 2.318 -3.348 -4.665 1.00 0.00 N ATOM 401 CA TYR A 26 1.994 -4.754 -4.450 1.00 0.00 C ATOM 402 C TYR A 26 1.976 -5.517 -5.771 1.00 0.00 C ATOM 403 O TYR A 26 2.580 -6.581 -5.894 1.00 0.00 O ATOM 404 CB TYR A 26 0.638 -4.885 -3.754 1.00 0.00 C ATOM 405 CG TYR A 26 0.202 -6.318 -3.544 1.00 0.00 C ATOM 406 CD1 TYR A 26 0.789 -7.107 -2.563 1.00 0.00 C ATOM 407 CD2 TYR A 26 -0.797 -6.882 -4.328 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.394 -8.416 -2.368 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.199 -8.190 -4.139 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.601 -8.953 -3.158 1.00 0.00 C ATOM 411 OH TYR A 26 -0.998 -10.257 -2.968 1.00 0.00 O ATOM 0 H TYR A 26 1.577 -2.699 -4.400 1.00 0.00 H new ATOM 0 HA TYR A 26 2.766 -5.186 -3.813 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.685 -4.383 -2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.117 -4.367 -4.346 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.568 -6.690 -1.942 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.267 -6.288 -5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.862 -9.016 -1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.978 -8.613 -4.756 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.974 -10.293 -2.884 1.00 0.00 H new ATOM 421 N ALA A 27 1.278 -4.963 -6.758 1.00 0.00 N ATOM 422 CA ALA A 27 1.183 -5.588 -8.071 1.00 0.00 C ATOM 423 C ALA A 27 2.565 -5.807 -8.676 1.00 0.00 C ATOM 424 O ALA A 27 2.754 -6.692 -9.510 1.00 0.00 O ATOM 425 CB ALA A 27 0.326 -4.739 -8.999 1.00 0.00 C ATOM 0 H ALA A 27 0.770 -4.083 -6.672 1.00 0.00 H new ATOM 0 HA ALA A 27 0.711 -6.563 -7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.264 -5.218 -9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.675 -4.639 -8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.775 -3.752 -9.107 1.00 0.00 H new ATOM 431 N ALA A 28 3.527 -4.995 -8.252 1.00 0.00 N ATOM 432 CA ALA A 28 4.892 -5.101 -8.752 1.00 0.00 C ATOM 433 C ALA A 28 5.705 -6.089 -7.923 1.00 0.00 C ATOM 434 O ALA A 28 6.564 -6.796 -8.448 1.00 0.00 O ATOM 435 CB ALA A 28 5.561 -3.734 -8.754 1.00 0.00 C ATOM 0 H ALA A 28 3.386 -4.256 -7.563 1.00 0.00 H new ATOM 0 HA ALA A 28 4.850 -5.474 -9.775 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.580 -3.828 -9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.999 -3.055 -9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.584 -3.339 -7.738 1.00 0.00 H new ATOM 441 N ASN A 29 5.429 -6.132 -6.623 1.00 0.00 N ATOM 442 CA ASN A 29 6.136 -7.033 -5.721 1.00 0.00 C ATOM 443 C ASN A 29 5.334 -7.265 -4.444 1.00 0.00 C ATOM 444 O ASN A 29 4.906 -6.317 -3.786 1.00 0.00 O ATOM 445 CB ASN A 29 7.514 -6.464 -5.374 1.00 0.00 C ATOM 446 CG ASN A 29 7.502 -4.952 -5.261 1.00 0.00 C ATOM 447 OD1 ASN A 29 8.054 -4.250 -6.109 1.00 0.00 O ATOM 448 ND2 ASN A 29 6.872 -4.442 -4.208 1.00 0.00 N ATOM 0 H ASN A 29 4.721 -5.553 -6.171 1.00 0.00 H new ATOM 0 HA ASN A 29 6.262 -7.989 -6.229 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.855 -6.894 -4.432 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.231 -6.763 -6.139 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.832 -3.431 -4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.428 -5.061 -3.530 1.00 0.00 H new ATOM 455 N LYS A 30 5.134 -8.532 -4.099 1.00 0.00 N ATOM 456 CA LYS A 30 4.385 -8.891 -2.901 1.00 0.00 C ATOM 457 C LYS A 30 5.092 -8.388 -1.647 1.00 0.00 C ATOM 458 O LYS A 30 4.456 -8.130 -0.625 1.00 0.00 O ATOM 459 CB LYS A 30 4.203 -10.409 -2.823 1.00 0.00 C ATOM 460 CG LYS A 30 3.720 -11.031 -4.122 1.00 0.00 C ATOM 461 CD LYS A 30 3.401 -12.506 -3.949 1.00 0.00 C ATOM 462 CE LYS A 30 3.497 -13.256 -5.269 1.00 0.00 C ATOM 463 NZ LYS A 30 4.910 -13.434 -5.704 1.00 0.00 N ATOM 0 H LYS A 30 5.481 -9.329 -4.633 1.00 0.00 H new ATOM 0 HA LYS A 30 3.405 -8.417 -2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.152 -10.866 -2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.490 -10.641 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.832 -10.504 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.484 -10.911 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.090 -12.946 -3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.397 -12.617 -3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.023 -14.232 -5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.946 -12.712 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.957 -14.165 -6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.272 -12.536 -6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.489 -13.725 -4.891 1.00 0.00 H new ATOM 477 N PHE A 31 6.411 -8.250 -1.732 1.00 0.00 N ATOM 478 CA PHE A 31 7.204 -7.777 -0.603 1.00 0.00 C ATOM 479 C PHE A 31 8.091 -6.605 -1.014 1.00 0.00 C ATOM 480 O PHE A 31 9.130 -6.791 -1.648 1.00 0.00 O ATOM 481 CB PHE A 31 8.066 -8.912 -0.047 1.00 0.00 C ATOM 482 CG PHE A 31 7.273 -10.116 0.375 1.00 0.00 C ATOM 483 CD1 PHE A 31 6.980 -11.122 -0.532 1.00 0.00 C ATOM 484 CD2 PHE A 31 6.820 -10.241 1.678 1.00 0.00 C ATOM 485 CE1 PHE A 31 6.250 -12.230 -0.146 1.00 0.00 C ATOM 486 CE2 PHE A 31 6.089 -11.347 2.070 1.00 0.00 C ATOM 487 CZ PHE A 31 5.805 -12.343 1.157 1.00 0.00 C ATOM 0 H PHE A 31 6.953 -8.459 -2.570 1.00 0.00 H new ATOM 0 HA PHE A 31 6.518 -7.437 0.173 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.791 -9.211 -0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.632 -8.542 0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.326 -11.039 -1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.040 -9.465 2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.028 -13.007 -0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.741 -11.432 3.089 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.236 -13.209 1.461 1.00 0.00 H new ATOM 497 N ILE A 32 7.671 -5.398 -0.650 1.00 0.00 N ATOM 498 CA ILE A 32 8.427 -4.196 -0.981 1.00 0.00 C ATOM 499 C ILE A 32 9.785 -4.192 -0.289 1.00 0.00 C ATOM 500 O ILE A 32 10.092 -5.081 0.507 1.00 0.00 O ATOM 501 CB ILE A 32 7.658 -2.921 -0.584 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.411 -2.897 0.925 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.342 -2.838 -1.344 1.00 0.00 C ATOM 504 CD1 ILE A 32 6.797 -1.605 1.417 1.00 0.00 C ATOM 0 H ILE A 32 6.813 -5.226 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 32 8.573 -4.202 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 32 8.262 -2.053 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.755 -3.726 1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.356 -3.061 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.810 -1.932 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.541 -2.813 -2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.730 -3.709 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.650 -1.660 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.462 -0.774 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.836 -1.449 0.927 1.00 0.00 H new ATOM 516 N THR A 33 10.598 -3.186 -0.596 1.00 0.00 N ATOM 517 CA THR A 33 11.924 -3.066 -0.003 1.00 0.00 C ATOM 518 C THR A 33 11.982 -1.904 0.982 1.00 0.00 C ATOM 519 O THR A 33 11.161 -0.989 0.930 1.00 0.00 O ATOM 520 CB THR A 33 13.005 -2.864 -1.082 1.00 0.00 C ATOM 521 OG1 THR A 33 14.250 -2.512 -0.468 1.00 0.00 O ATOM 522 CG2 THR A 33 12.593 -1.777 -2.064 1.00 0.00 C ATOM 0 H THR A 33 10.361 -2.442 -1.252 1.00 0.00 H new ATOM 0 HA THR A 33 12.119 -3.998 0.527 1.00 0.00 H new ATOM 0 HB THR A 33 13.121 -3.800 -1.628 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.932 -2.387 -1.160 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.372 -1.652 -2.816 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.660 -2.061 -2.551 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.452 -0.838 -1.529 1.00 0.00 H new ATOM 530 N LYS A 34 12.960 -1.946 1.881 1.00 0.00 N ATOM 531 CA LYS A 34 13.128 -0.896 2.879 1.00 0.00 C ATOM 532 C LYS A 34 13.167 0.479 2.220 1.00 0.00 C ATOM 533 O LYS A 34 12.747 1.473 2.813 1.00 0.00 O ATOM 534 CB LYS A 34 14.412 -1.126 3.680 1.00 0.00 C ATOM 535 CG LYS A 34 14.194 -1.902 4.968 1.00 0.00 C ATOM 536 CD LYS A 34 14.003 -3.386 4.699 1.00 0.00 C ATOM 537 CE LYS A 34 15.334 -4.087 4.476 1.00 0.00 C ATOM 538 NZ LYS A 34 16.019 -4.400 5.760 1.00 0.00 N ATOM 0 H LYS A 34 13.649 -2.696 1.939 1.00 0.00 H new ATOM 0 HA LYS A 34 12.274 -0.932 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.127 -1.664 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.860 -0.161 3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.048 -1.758 5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.319 -1.510 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.485 -3.846 5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.369 -3.519 3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.170 -5.009 3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.979 -3.455 3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.922 -4.877 5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.199 -3.518 6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.415 -5.024 6.333 1.00 0.00 H new ATOM 552 N ASP A 35 13.672 0.528 0.993 1.00 0.00 N ATOM 553 CA ASP A 35 13.763 1.781 0.252 1.00 0.00 C ATOM 554 C ASP A 35 12.389 2.219 -0.246 1.00 0.00 C ATOM 555 O ASP A 35 12.086 3.411 -0.297 1.00 0.00 O ATOM 556 CB ASP A 35 14.724 1.632 -0.928 1.00 0.00 C ATOM 557 CG ASP A 35 15.432 2.929 -1.265 1.00 0.00 C ATOM 558 OD1 ASP A 35 15.745 3.694 -0.329 1.00 0.00 O ATOM 559 OD2 ASP A 35 15.673 3.180 -2.465 1.00 0.00 O ATOM 0 H ASP A 35 14.025 -0.286 0.490 1.00 0.00 H new ATOM 0 HA ASP A 35 14.146 2.547 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.465 0.867 -0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.171 1.285 -1.801 1.00 0.00 H new ATOM 564 N LYS A 36 11.561 1.246 -0.614 1.00 0.00 N ATOM 565 CA LYS A 36 10.219 1.530 -1.108 1.00 0.00 C ATOM 566 C LYS A 36 9.279 1.883 0.040 1.00 0.00 C ATOM 567 O LYS A 36 8.520 2.849 -0.041 1.00 0.00 O ATOM 568 CB LYS A 36 9.672 0.325 -1.877 1.00 0.00 C ATOM 569 CG LYS A 36 8.308 0.570 -2.500 1.00 0.00 C ATOM 570 CD LYS A 36 8.404 1.490 -3.706 1.00 0.00 C ATOM 571 CE LYS A 36 8.154 2.940 -3.321 1.00 0.00 C ATOM 572 NZ LYS A 36 7.278 3.633 -4.306 1.00 0.00 N ATOM 0 H LYS A 36 11.796 0.254 -0.579 1.00 0.00 H new ATOM 0 HA LYS A 36 10.280 2.386 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.378 0.055 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.606 -0.527 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.868 -0.381 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.641 1.009 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.391 1.397 -4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.679 1.182 -4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.693 2.979 -2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.106 3.466 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.146 4.623 -4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.722 3.603 -5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.354 3.157 -4.344 1.00 0.00 H new ATOM 586 N ARG A 37 9.337 1.096 1.110 1.00 0.00 N ATOM 587 CA ARG A 37 8.492 1.327 2.275 1.00 0.00 C ATOM 588 C ARG A 37 8.609 2.771 2.755 1.00 0.00 C ATOM 589 O ARG A 37 7.643 3.351 3.250 1.00 0.00 O ATOM 590 CB ARG A 37 8.873 0.370 3.406 1.00 0.00 C ATOM 591 CG ARG A 37 8.003 0.514 4.644 1.00 0.00 C ATOM 592 CD ARG A 37 7.739 -0.833 5.299 1.00 0.00 C ATOM 593 NE ARG A 37 8.330 -0.920 6.631 1.00 0.00 N ATOM 594 CZ ARG A 37 9.613 -1.186 6.850 1.00 0.00 C ATOM 595 NH1 ARG A 37 10.434 -1.390 5.830 1.00 0.00 N ATOM 596 NH2 ARG A 37 10.076 -1.248 8.092 1.00 0.00 N ATOM 0 H ARG A 37 9.960 0.293 1.194 1.00 0.00 H new ATOM 0 HA ARG A 37 7.458 1.142 1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.805 -0.655 3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.914 0.542 3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.491 1.178 5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.056 0.980 4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.664 -0.998 5.368 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.143 -1.627 4.671 1.00 0.00 H new ATOM 0 HE ARG A 37 7.725 -0.768 7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.081 -1.343 4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.419 -1.594 6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.447 -1.091 8.879 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.061 -1.452 8.259 1.00 0.00 H new ATOM 610 N ARG A 38 9.799 3.344 2.604 1.00 0.00 N ATOM 611 CA ARG A 38 10.043 4.719 3.024 1.00 0.00 C ATOM 612 C ARG A 38 9.436 5.706 2.031 1.00 0.00 C ATOM 613 O ARG A 38 8.987 6.788 2.410 1.00 0.00 O ATOM 614 CB ARG A 38 11.545 4.974 3.160 1.00 0.00 C ATOM 615 CG ARG A 38 12.190 4.216 4.309 1.00 0.00 C ATOM 616 CD ARG A 38 13.705 4.339 4.276 1.00 0.00 C ATOM 617 NE ARG A 38 14.143 5.730 4.352 1.00 0.00 N ATOM 618 CZ ARG A 38 14.218 6.417 5.486 1.00 0.00 C ATOM 619 NH1 ARG A 38 13.885 5.844 6.635 1.00 0.00 N ATOM 620 NH2 ARG A 38 14.626 7.679 5.474 1.00 0.00 N ATOM 0 H ARG A 38 10.608 2.878 2.194 1.00 0.00 H new ATOM 0 HA ARG A 38 9.567 4.867 3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.038 4.694 2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.712 6.042 3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.813 4.600 5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.908 3.164 4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.132 3.778 5.107 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.085 3.889 3.359 1.00 0.00 H new ATOM 0 HE ARG A 38 14.406 6.200 3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.571 4.874 6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.943 6.374 7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.883 8.124 4.593 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.683 8.205 6.346 1.00 0.00 H new ATOM 634 N LYS A 39 9.427 5.326 0.758 1.00 0.00 N ATOM 635 CA LYS A 39 8.876 6.176 -0.291 1.00 0.00 C ATOM 636 C LYS A 39 7.355 6.247 -0.191 1.00 0.00 C ATOM 637 O LYS A 39 6.763 7.315 -0.346 1.00 0.00 O ATOM 638 CB LYS A 39 9.282 5.650 -1.669 1.00 0.00 C ATOM 639 CG LYS A 39 10.628 6.169 -2.146 1.00 0.00 C ATOM 640 CD LYS A 39 10.597 7.671 -2.372 1.00 0.00 C ATOM 641 CE LYS A 39 11.799 8.138 -3.179 1.00 0.00 C ATOM 642 NZ LYS A 39 11.614 9.521 -3.700 1.00 0.00 N ATOM 0 H LYS A 39 9.795 4.434 0.427 1.00 0.00 H new ATOM 0 HA LYS A 39 9.279 7.180 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.312 4.561 -1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.517 5.928 -2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.394 5.926 -1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.906 5.666 -3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.679 7.943 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.581 8.184 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.692 8.101 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.964 7.455 -4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.454 9.802 -4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.777 9.551 -4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.482 10.177 -2.904 1.00 0.00 H new ATOM 656 N ILE A 40 6.730 5.104 0.072 1.00 0.00 N ATOM 657 CA ILE A 40 5.279 5.039 0.195 1.00 0.00 C ATOM 658 C ILE A 40 4.791 5.863 1.382 1.00 0.00 C ATOM 659 O ILE A 40 3.737 6.495 1.319 1.00 0.00 O ATOM 660 CB ILE A 40 4.794 3.586 0.359 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.244 2.737 -0.831 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.279 3.547 0.501 1.00 0.00 C ATOM 663 CD1 ILE A 40 4.825 1.287 -0.733 1.00 0.00 C ATOM 0 H ILE A 40 7.205 4.211 0.204 1.00 0.00 H new ATOM 0 HA ILE A 40 4.864 5.451 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 40 5.236 3.171 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.835 3.164 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.330 2.788 -0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.951 2.514 0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.981 4.122 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.819 3.977 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.178 0.746 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.256 0.844 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.738 1.225 -0.682 1.00 0.00 H new ATOM 675 N SER A 41 5.566 5.853 2.462 1.00 0.00 N ATOM 676 CA SER A 41 5.212 6.598 3.664 1.00 0.00 C ATOM 677 C SER A 41 5.241 8.101 3.400 1.00 0.00 C ATOM 678 O SER A 41 4.607 8.879 4.111 1.00 0.00 O ATOM 679 CB SER A 41 6.169 6.251 4.805 1.00 0.00 C ATOM 680 OG SER A 41 6.336 7.350 5.684 1.00 0.00 O ATOM 0 H SER A 41 6.443 5.337 2.529 1.00 0.00 H new ATOM 0 HA SER A 41 4.199 6.316 3.951 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.784 5.394 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.136 5.958 4.396 1.00 0.00 H new ATOM 0 HG SER A 41 5.580 7.388 6.307 1.00 0.00 H new ATOM 686 N ALA A 42 5.983 8.500 2.372 1.00 0.00 N ATOM 687 CA ALA A 42 6.095 9.908 2.012 1.00 0.00 C ATOM 688 C ALA A 42 4.938 10.339 1.117 1.00 0.00 C ATOM 689 O ALA A 42 4.583 11.516 1.069 1.00 0.00 O ATOM 690 CB ALA A 42 7.426 10.173 1.323 1.00 0.00 C ATOM 0 H ALA A 42 6.515 7.868 1.774 1.00 0.00 H new ATOM 0 HA ALA A 42 6.050 10.497 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.496 11.228 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.243 9.912 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.494 9.568 0.419 1.00 0.00 H new ATOM 696 N ALA A 43 4.355 9.378 0.407 1.00 0.00 N ATOM 697 CA ALA A 43 3.238 9.659 -0.486 1.00 0.00 C ATOM 698 C ALA A 43 1.904 9.437 0.218 1.00 0.00 C ATOM 699 O ALA A 43 1.089 10.353 0.331 1.00 0.00 O ATOM 700 CB ALA A 43 3.329 8.793 -1.733 1.00 0.00 C ATOM 0 H ALA A 43 4.638 8.398 0.433 1.00 0.00 H new ATOM 0 HA ALA A 43 3.294 10.707 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.488 9.013 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.263 9.003 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.301 7.741 -1.448 1.00 0.00 H new ATOM 706 N THR A 44 1.685 8.213 0.690 1.00 0.00 N ATOM 707 CA THR A 44 0.448 7.871 1.381 1.00 0.00 C ATOM 708 C THR A 44 0.410 8.485 2.776 1.00 0.00 C ATOM 709 O THR A 44 -0.635 8.504 3.427 1.00 0.00 O ATOM 710 CB THR A 44 0.276 6.344 1.500 1.00 0.00 C ATOM 711 OG1 THR A 44 1.357 5.787 2.256 1.00 0.00 O ATOM 712 CG2 THR A 44 0.224 5.697 0.125 1.00 0.00 C ATOM 0 H THR A 44 2.348 7.443 0.606 1.00 0.00 H new ATOM 0 HA THR A 44 -0.370 8.277 0.786 1.00 0.00 H new ATOM 0 HB THR A 44 -0.665 6.145 2.013 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.206 6.152 1.930 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.102 4.619 0.234 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.618 6.102 -0.436 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.150 5.905 -0.410 1.00 0.00 H new ATOM 720 N SER A 45 1.554 8.988 3.228 1.00 0.00 N ATOM 721 CA SER A 45 1.651 9.601 4.548 1.00 0.00 C ATOM 722 C SER A 45 1.364 8.579 5.644 1.00 0.00 C ATOM 723 O SER A 45 0.906 8.930 6.732 1.00 0.00 O ATOM 724 CB SER A 45 0.676 10.774 4.661 1.00 0.00 C ATOM 725 OG SER A 45 0.686 11.562 3.483 1.00 0.00 O ATOM 0 H SER A 45 2.427 8.983 2.700 1.00 0.00 H new ATOM 0 HA SER A 45 2.669 9.970 4.677 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.331 10.398 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.944 11.392 5.518 1.00 0.00 H new ATOM 0 HG SER A 45 0.053 12.304 3.580 1.00 0.00 H new ATOM 731 N LEU A 46 1.637 7.313 5.349 1.00 0.00 N ATOM 732 CA LEU A 46 1.409 6.238 6.309 1.00 0.00 C ATOM 733 C LEU A 46 2.707 5.849 7.010 1.00 0.00 C ATOM 734 O LEU A 46 3.788 6.296 6.627 1.00 0.00 O ATOM 735 CB LEU A 46 0.811 5.018 5.606 1.00 0.00 C ATOM 736 CG LEU A 46 -0.625 5.171 5.102 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.891 4.213 3.951 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.615 4.937 6.233 1.00 0.00 C ATOM 0 H LEU A 46 2.016 7.005 4.453 1.00 0.00 H new ATOM 0 HA LEU A 46 0.706 6.598 7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.447 4.764 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.845 4.174 6.295 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.755 6.190 4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.917 4.336 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.204 4.428 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.742 3.188 4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.631 5.050 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.484 3.930 6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.439 5.664 7.026 1.00 0.00 H new ATOM 750 N SER A 47 2.591 5.013 8.037 1.00 0.00 N ATOM 751 CA SER A 47 3.755 4.565 8.792 1.00 0.00 C ATOM 752 C SER A 47 4.376 3.328 8.151 1.00 0.00 C ATOM 753 O SER A 47 3.680 2.519 7.539 1.00 0.00 O ATOM 754 CB SER A 47 3.364 4.262 10.240 1.00 0.00 C ATOM 755 OG SER A 47 4.427 4.562 11.129 1.00 0.00 O ATOM 0 H SER A 47 1.703 4.633 8.365 1.00 0.00 H new ATOM 0 HA SER A 47 4.494 5.366 8.783 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.483 4.844 10.512 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.093 3.211 10.334 1.00 0.00 H new ATOM 0 HG SER A 47 4.152 4.361 12.048 1.00 0.00 H new ATOM 761 N GLU A 48 5.690 3.189 8.298 1.00 0.00 N ATOM 762 CA GLU A 48 6.405 2.051 7.732 1.00 0.00 C ATOM 763 C GLU A 48 5.760 0.736 8.161 1.00 0.00 C ATOM 764 O GLU A 48 5.704 -0.221 7.389 1.00 0.00 O ATOM 765 CB GLU A 48 7.872 2.076 8.164 1.00 0.00 C ATOM 766 CG GLU A 48 8.549 3.418 7.941 1.00 0.00 C ATOM 767 CD GLU A 48 10.043 3.367 8.192 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.601 2.251 8.232 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.656 4.445 8.347 1.00 0.00 O ATOM 0 H GLU A 48 6.280 3.849 8.804 1.00 0.00 H new ATOM 0 HA GLU A 48 6.352 2.125 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.935 1.818 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.417 1.308 7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.367 3.747 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.099 4.161 8.599 1.00 0.00 H new ATOM 776 N ARG A 49 5.275 0.697 9.398 1.00 0.00 N ATOM 777 CA ARG A 49 4.636 -0.500 9.931 1.00 0.00 C ATOM 778 C ARG A 49 3.246 -0.687 9.331 1.00 0.00 C ATOM 779 O ARG A 49 2.879 -1.788 8.924 1.00 0.00 O ATOM 780 CB ARG A 49 4.539 -0.416 11.455 1.00 0.00 C ATOM 781 CG ARG A 49 4.221 -1.746 12.120 1.00 0.00 C ATOM 782 CD ARG A 49 5.370 -2.731 11.972 1.00 0.00 C ATOM 783 NE ARG A 49 6.612 -2.212 12.539 1.00 0.00 N ATOM 784 CZ ARG A 49 6.854 -2.147 13.843 1.00 0.00 C ATOM 785 NH1 ARG A 49 5.944 -2.567 14.711 1.00 0.00 N ATOM 786 NH2 ARG A 49 8.009 -1.662 14.282 1.00 0.00 N ATOM 0 H ARG A 49 5.313 1.481 10.050 1.00 0.00 H new ATOM 0 HA ARG A 49 5.248 -1.360 9.660 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.482 -0.038 11.850 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.769 0.307 11.722 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.012 -1.585 13.178 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.319 -2.169 11.678 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.110 -3.668 12.465 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.520 -2.957 10.916 1.00 0.00 H new ATOM 0 HE ARG A 49 7.333 -1.881 11.898 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.056 -2.941 14.378 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.132 -2.516 15.712 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.712 -1.339 13.617 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.194 -1.613 15.284 1.00 0.00 H new ATOM 800 N GLN A 50 2.478 0.397 9.282 1.00 0.00 N ATOM 801 CA GLN A 50 1.127 0.351 8.734 1.00 0.00 C ATOM 802 C GLN A 50 1.131 -0.237 7.327 1.00 0.00 C ATOM 803 O GLN A 50 0.402 -1.186 7.038 1.00 0.00 O ATOM 804 CB GLN A 50 0.515 1.753 8.712 1.00 0.00 C ATOM 805 CG GLN A 50 0.102 2.258 10.085 1.00 0.00 C ATOM 806 CD GLN A 50 -1.099 3.181 10.030 1.00 0.00 C ATOM 807 OE1 GLN A 50 -0.955 4.401 9.938 1.00 0.00 O ATOM 808 NE2 GLN A 50 -2.293 2.604 10.085 1.00 0.00 N ATOM 0 H GLN A 50 2.768 1.317 9.615 1.00 0.00 H new ATOM 0 HA GLN A 50 0.523 -0.291 9.375 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.235 2.448 8.280 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.357 1.750 8.058 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.127 1.407 10.727 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.940 2.785 10.541 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.366 1.589 10.161 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.137 3.175 10.051 1.00 0.00 H new ATOM 817 N ILE A 51 1.956 0.333 6.455 1.00 0.00 N ATOM 818 CA ILE A 51 2.054 -0.136 5.078 1.00 0.00 C ATOM 819 C ILE A 51 2.328 -1.635 5.026 1.00 0.00 C ATOM 820 O ILE A 51 1.719 -2.363 4.241 1.00 0.00 O ATOM 821 CB ILE A 51 3.164 0.605 4.309 1.00 0.00 C ATOM 822 CG1 ILE A 51 2.901 2.112 4.315 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.259 0.084 2.883 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.102 2.937 3.909 1.00 0.00 C ATOM 0 H ILE A 51 2.566 1.120 6.677 1.00 0.00 H new ATOM 0 HA ILE A 51 1.094 0.072 4.605 1.00 0.00 H new ATOM 0 HB ILE A 51 4.116 0.420 4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.075 2.331 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.584 2.413 5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.048 0.617 2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.489 -0.981 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.308 0.242 2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.842 3.995 3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.924 2.747 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.406 2.664 2.899 1.00 0.00 H new ATOM 836 N THR A 52 3.249 -2.092 5.869 1.00 0.00 N ATOM 837 CA THR A 52 3.604 -3.505 5.920 1.00 0.00 C ATOM 838 C THR A 52 2.393 -4.364 6.266 1.00 0.00 C ATOM 839 O THR A 52 2.106 -5.350 5.587 1.00 0.00 O ATOM 840 CB THR A 52 4.718 -3.767 6.952 1.00 0.00 C ATOM 841 OG1 THR A 52 5.890 -3.020 6.608 1.00 0.00 O ATOM 842 CG2 THR A 52 5.056 -5.249 7.018 1.00 0.00 C ATOM 0 H THR A 52 3.762 -1.504 6.526 1.00 0.00 H new ATOM 0 HA THR A 52 3.966 -3.776 4.928 1.00 0.00 H new ATOM 0 HB THR A 52 4.359 -3.448 7.931 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.826 -2.118 6.986 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.845 -5.410 7.753 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.169 -5.812 7.308 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.397 -5.588 6.040 1.00 0.00 H new ATOM 850 N ILE A 53 1.687 -3.983 7.325 1.00 0.00 N ATOM 851 CA ILE A 53 0.506 -4.718 7.760 1.00 0.00 C ATOM 852 C ILE A 53 -0.467 -4.927 6.604 1.00 0.00 C ATOM 853 O ILE A 53 -0.976 -6.029 6.400 1.00 0.00 O ATOM 854 CB ILE A 53 -0.222 -3.988 8.904 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.713 -3.810 10.101 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.472 -4.755 9.310 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.315 -2.672 11.015 1.00 0.00 C ATOM 0 H ILE A 53 1.912 -3.170 7.898 1.00 0.00 H new ATOM 0 HA ILE A 53 0.852 -5.687 8.121 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.523 -3.001 8.553 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.735 -4.736 10.676 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.726 -3.636 9.738 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.976 -4.227 10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.144 -4.835 8.455 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.193 -5.753 9.647 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.022 -2.605 11.842 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.321 -1.737 10.455 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.686 -2.854 11.408 1.00 0.00 H new ATOM 869 N TRP A 54 -0.720 -3.863 5.851 1.00 0.00 N ATOM 870 CA TRP A 54 -1.631 -3.930 4.714 1.00 0.00 C ATOM 871 C TRP A 54 -1.136 -4.934 3.679 1.00 0.00 C ATOM 872 O TRP A 54 -1.890 -5.795 3.225 1.00 0.00 O ATOM 873 CB TRP A 54 -1.781 -2.550 4.073 1.00 0.00 C ATOM 874 CG TRP A 54 -2.818 -2.507 2.991 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.145 -2.218 3.139 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.614 -2.764 1.598 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.778 -2.280 1.921 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.861 -2.612 0.959 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.500 -3.106 0.827 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.021 -2.791 -0.412 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.661 -3.284 -0.534 1.00 0.00 C ATOM 882 CH2 TRP A 54 -2.914 -3.126 -1.142 1.00 0.00 C ATOM 0 H TRP A 54 -0.307 -2.943 6.007 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.604 -4.261 5.078 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.041 -1.825 4.845 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.821 -2.244 3.658 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.626 -1.976 4.075 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.770 -2.107 1.759 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.530 -3.229 1.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.985 -2.670 -0.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.807 -3.549 -1.139 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.007 -3.272 -2.208 1.00 0.00 H new ATOM 893 N PHE A 55 0.135 -4.819 3.309 1.00 0.00 N ATOM 894 CA PHE A 55 0.730 -5.717 2.326 1.00 0.00 C ATOM 895 C PHE A 55 0.599 -7.171 2.768 1.00 0.00 C ATOM 896 O PHE A 55 0.450 -8.070 1.941 1.00 0.00 O ATOM 897 CB PHE A 55 2.204 -5.368 2.111 1.00 0.00 C ATOM 898 CG PHE A 55 2.438 -4.432 0.960 1.00 0.00 C ATOM 899 CD1 PHE A 55 2.080 -3.097 1.052 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.015 -4.888 -0.214 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.294 -2.233 -0.005 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.231 -4.028 -1.275 1.00 0.00 C ATOM 903 CZ PHE A 55 2.869 -2.699 -1.170 1.00 0.00 C ATOM 0 H PHE A 55 0.773 -4.113 3.675 1.00 0.00 H new ATOM 0 HA PHE A 55 0.194 -5.592 1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.599 -4.917 3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.765 -6.287 1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.628 -2.727 1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.299 -5.926 -0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.012 -1.194 0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.682 -4.395 -2.185 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.036 -2.026 -1.998 1.00 0.00 H new ATOM 913 N GLN A 56 0.655 -7.393 4.077 1.00 0.00 N ATOM 914 CA GLN A 56 0.544 -8.738 4.630 1.00 0.00 C ATOM 915 C GLN A 56 -0.880 -9.266 4.493 1.00 0.00 C ATOM 916 O GLN A 56 -1.106 -10.328 3.915 1.00 0.00 O ATOM 917 CB GLN A 56 0.965 -8.744 6.100 1.00 0.00 C ATOM 918 CG GLN A 56 2.466 -8.863 6.303 1.00 0.00 C ATOM 919 CD GLN A 56 2.988 -10.254 6.001 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.214 -11.196 5.832 1.00 0.00 O ATOM 921 NE2 GLN A 56 4.307 -10.389 5.930 1.00 0.00 N ATOM 0 H GLN A 56 0.777 -6.659 4.775 1.00 0.00 H new ATOM 0 HA GLN A 56 1.210 -9.392 4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.615 -7.827 6.573 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.471 -9.573 6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.974 -8.142 5.662 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.711 -8.603 7.333 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.911 -9.580 6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.716 -11.301 5.728 1.00 0.00 H new ATOM 930 N ASN A 57 -1.838 -8.517 5.031 1.00 0.00 N ATOM 931 CA ASN A 57 -3.241 -8.911 4.970 1.00 0.00 C ATOM 932 C ASN A 57 -3.656 -9.224 3.536 1.00 0.00 C ATOM 933 O ASN A 57 -4.465 -10.121 3.295 1.00 0.00 O ATOM 934 CB ASN A 57 -4.128 -7.802 5.539 1.00 0.00 C ATOM 935 CG ASN A 57 -4.354 -7.951 7.031 1.00 0.00 C ATOM 936 OD1 ASN A 57 -5.288 -8.626 7.465 1.00 0.00 O ATOM 937 ND2 ASN A 57 -3.498 -7.318 7.825 1.00 0.00 N ATOM 0 H ASN A 57 -1.668 -7.635 5.514 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.367 -9.812 5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.668 -6.834 5.339 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.090 -7.810 5.026 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.600 -7.380 8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.738 -6.770 7.422 1.00 0.00 H new ATOM 944 N ARG A 58 -3.096 -8.481 2.587 1.00 0.00 N ATOM 945 CA ARG A 58 -3.408 -8.679 1.177 1.00 0.00 C ATOM 946 C ARG A 58 -3.086 -10.106 0.744 1.00 0.00 C ATOM 947 O ARG A 58 -3.845 -10.726 -0.001 1.00 0.00 O ATOM 948 CB ARG A 58 -2.628 -7.684 0.316 1.00 0.00 C ATOM 949 CG ARG A 58 -3.352 -7.284 -0.959 1.00 0.00 C ATOM 950 CD ARG A 58 -4.645 -6.543 -0.656 1.00 0.00 C ATOM 951 NE ARG A 58 -5.227 -5.944 -1.855 1.00 0.00 N ATOM 952 CZ ARG A 58 -6.386 -5.295 -1.864 1.00 0.00 C ATOM 953 NH1 ARG A 58 -7.084 -5.163 -0.744 1.00 0.00 N ATOM 954 NH2 ARG A 58 -6.849 -4.777 -2.994 1.00 0.00 N ATOM 0 H ARG A 58 -2.424 -7.736 2.769 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.476 -8.509 1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.424 -6.789 0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.664 -8.120 0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.702 -6.652 -1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.571 -8.174 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.362 -7.233 -0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.452 -5.764 0.081 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.715 -6.029 -2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.731 -5.560 0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.974 -4.664 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.315 -4.877 -3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.739 -4.279 -3.000 1.00 0.00 H new ATOM 968 N ARG A 59 -1.955 -10.620 1.215 1.00 0.00 N ATOM 969 CA ARG A 59 -1.531 -11.973 0.875 1.00 0.00 C ATOM 970 C ARG A 59 -2.139 -12.991 1.836 1.00 0.00 C ATOM 971 O ARG A 59 -2.284 -14.167 1.502 1.00 0.00 O ATOM 972 CB ARG A 59 -0.005 -12.075 0.906 1.00 0.00 C ATOM 973 CG ARG A 59 0.653 -11.767 -0.429 1.00 0.00 C ATOM 974 CD ARG A 59 1.932 -12.568 -0.618 1.00 0.00 C ATOM 975 NE ARG A 59 1.671 -14.002 -0.709 1.00 0.00 N ATOM 976 CZ ARG A 59 2.629 -14.921 -0.766 1.00 0.00 C ATOM 977 NH1 ARG A 59 3.904 -14.557 -0.741 1.00 0.00 N ATOM 978 NH2 ARG A 59 2.312 -16.207 -0.848 1.00 0.00 N ATOM 0 H ARG A 59 -1.316 -10.120 1.833 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.883 -12.195 -0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.381 -11.388 1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.277 -13.081 1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.041 -11.992 -1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.877 -10.702 -0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.439 -12.234 -1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.607 -12.375 0.215 1.00 0.00 H new ATOM 0 HE ARG A 59 0.700 -14.315 -0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.151 -13.569 -0.678 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.637 -15.265 -0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.332 -16.491 -0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.048 -16.912 -0.892 1.00 0.00 H new ATOM 992 N VAL A 60 -2.492 -12.530 3.032 1.00 0.00 N ATOM 993 CA VAL A 60 -3.084 -13.400 4.042 1.00 0.00 C ATOM 994 C VAL A 60 -4.560 -13.651 3.753 1.00 0.00 C ATOM 995 O VAL A 60 -5.140 -14.627 4.228 1.00 0.00 O ATOM 996 CB VAL A 60 -2.944 -12.799 5.453 1.00 0.00 C ATOM 997 CG1 VAL A 60 -3.566 -13.721 6.490 1.00 0.00 C ATOM 998 CG2 VAL A 60 -1.481 -12.531 5.774 1.00 0.00 C ATOM 0 H VAL A 60 -2.378 -11.560 3.325 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.542 -14.345 4.003 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.478 -11.849 5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.458 -13.280 7.481 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.624 -13.857 6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.063 -14.688 6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.400 -12.106 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.922 -13.466 5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.072 -11.829 5.048 1.00 0.00 H new ATOM 1008 N LYS A 61 -5.164 -12.763 2.970 1.00 0.00 N ATOM 1009 CA LYS A 61 -6.572 -12.887 2.615 1.00 0.00 C ATOM 1010 C LYS A 61 -6.745 -13.752 1.370 1.00 0.00 C ATOM 1011 O LYS A 61 -7.795 -14.362 1.169 1.00 0.00 O ATOM 1012 CB LYS A 61 -7.184 -11.505 2.377 1.00 0.00 C ATOM 1013 CG LYS A 61 -8.655 -11.418 2.745 1.00 0.00 C ATOM 1014 CD LYS A 61 -9.083 -9.983 2.999 1.00 0.00 C ATOM 1015 CE LYS A 61 -10.587 -9.814 2.847 1.00 0.00 C ATOM 1016 NZ LYS A 61 -10.971 -8.385 2.684 1.00 0.00 N ATOM 0 H LYS A 61 -4.699 -11.949 2.569 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.089 -13.368 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.629 -10.767 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.065 -11.241 1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.258 -11.841 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.844 -12.018 3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.782 -9.685 4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.569 -9.320 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.931 -10.383 1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.089 -10.227 3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.004 -8.312 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.666 -7.846 3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.512 -7.997 1.835 1.00 0.00 H new ATOM 1030 N GLU A 62 -5.708 -13.801 0.540 1.00 0.00 N ATOM 1031 CA GLU A 62 -5.747 -14.592 -0.684 1.00 0.00 C ATOM 1032 C GLU A 62 -5.211 -16.000 -0.439 1.00 0.00 C ATOM 1033 O GLU A 62 -5.526 -16.934 -1.177 1.00 0.00 O ATOM 1034 CB GLU A 62 -4.933 -13.910 -1.785 1.00 0.00 C ATOM 1035 CG GLU A 62 -3.444 -13.841 -1.488 1.00 0.00 C ATOM 1036 CD GLU A 62 -2.715 -12.856 -2.381 1.00 0.00 C ATOM 1037 OE1 GLU A 62 -3.267 -11.764 -2.633 1.00 0.00 O ATOM 1038 OE2 GLU A 62 -1.595 -13.177 -2.828 1.00 0.00 O ATOM 0 H GLU A 62 -4.831 -13.303 0.693 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.786 -14.667 -1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.083 -14.447 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.313 -12.899 -1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.298 -13.557 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.006 -14.831 -1.613 1.00 0.00 H new ATOM 1045 N LYS A 63 -4.399 -16.145 0.603 1.00 0.00 N ATOM 1046 CA LYS A 63 -3.819 -17.437 0.947 1.00 0.00 C ATOM 1047 C LYS A 63 -4.901 -18.419 1.386 1.00 0.00 C ATOM 1048 O LYS A 63 -4.746 -19.633 1.248 1.00 0.00 O ATOM 1049 CB LYS A 63 -2.782 -17.273 2.061 1.00 0.00 C ATOM 1050 CG LYS A 63 -3.393 -17.023 3.429 1.00 0.00 C ATOM 1051 CD LYS A 63 -3.506 -18.308 4.232 1.00 0.00 C ATOM 1052 CE LYS A 63 -2.249 -18.568 5.048 1.00 0.00 C ATOM 1053 NZ LYS A 63 -1.214 -19.289 4.257 1.00 0.00 N ATOM 0 H LYS A 63 -4.128 -15.383 1.224 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.329 -17.836 0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.165 -18.170 2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.120 -16.444 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.783 -16.304 3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.381 -16.578 3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.367 -18.248 4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.683 -19.146 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.842 -17.620 5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.504 -19.153 5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.546 -19.755 4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.672 -20.004 3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.701 -18.612 3.658 1.00 0.00 H new ATOM 1067 N LYS A 64 -5.997 -17.887 1.915 1.00 0.00 N ATOM 1068 CA LYS A 64 -7.107 -18.716 2.372 1.00 0.00 C ATOM 1069 C LYS A 64 -7.825 -19.362 1.192 1.00 0.00 C ATOM 1070 O LYS A 64 -8.498 -18.684 0.415 1.00 0.00 O ATOM 1071 CB LYS A 64 -8.095 -17.877 3.186 1.00 0.00 C ATOM 1072 CG LYS A 64 -7.821 -17.897 4.680 1.00 0.00 C ATOM 1073 CD LYS A 64 -6.905 -16.758 5.095 1.00 0.00 C ATOM 1074 CE LYS A 64 -6.692 -16.733 6.600 1.00 0.00 C ATOM 1075 NZ LYS A 64 -5.863 -17.881 7.062 1.00 0.00 N ATOM 0 H LYS A 64 -6.141 -16.885 2.038 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.702 -19.506 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.062 -16.846 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.106 -18.243 3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.763 -17.824 5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.367 -18.849 4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.943 -16.862 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.333 -15.809 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.208 -15.798 6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.658 -16.757 7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.265 -18.269 7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.853 -18.619 6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.891 -17.557 7.241 1.00 0.00 H new ATOM 1089 N SER A 65 -7.678 -20.677 1.063 1.00 0.00 N ATOM 1090 CA SER A 65 -8.311 -21.414 -0.024 1.00 0.00 C ATOM 1091 C SER A 65 -9.462 -22.270 0.498 1.00 0.00 C ATOM 1092 O SER A 65 -9.261 -23.173 1.309 1.00 0.00 O ATOM 1093 CB SER A 65 -7.284 -22.299 -0.734 1.00 0.00 C ATOM 1094 OG SER A 65 -7.681 -22.571 -2.067 1.00 0.00 O ATOM 0 H SER A 65 -7.126 -21.254 1.698 1.00 0.00 H new ATOM 0 HA SER A 65 -8.712 -20.692 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.312 -21.806 -0.734 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.166 -23.235 -0.188 1.00 0.00 H new ATOM 0 HG SER A 65 -7.008 -23.137 -2.500 1.00 0.00 H new ATOM 1100 N GLY A 66 -10.670 -21.977 0.025 1.00 0.00 N ATOM 1101 CA GLY A 66 -11.836 -22.727 0.454 1.00 0.00 C ATOM 1102 C GLY A 66 -13.131 -22.123 -0.051 1.00 0.00 C ATOM 1103 O GLY A 66 -13.758 -22.633 -0.981 1.00 0.00 O ATOM 0 H GLY A 66 -10.862 -21.234 -0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.755 -23.754 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.858 -22.767 1.543 1.00 0.00 H new ATOM 1107 N PRO A 67 -13.553 -21.012 0.571 1.00 0.00 N ATOM 1108 CA PRO A 67 -14.787 -20.315 0.197 1.00 0.00 C ATOM 1109 C PRO A 67 -14.677 -19.631 -1.162 1.00 0.00 C ATOM 1110 O PRO A 67 -13.633 -19.079 -1.506 1.00 0.00 O ATOM 1111 CB PRO A 67 -14.958 -19.275 1.307 1.00 0.00 C ATOM 1112 CG PRO A 67 -13.579 -19.038 1.819 1.00 0.00 C ATOM 1113 CD PRO A 67 -12.857 -20.350 1.687 1.00 0.00 C ATOM 0 HA PRO A 67 -15.630 -21.000 0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.401 -18.356 0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.616 -19.642 2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.079 -18.258 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.600 -18.707 2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.798 -20.206 1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.919 -20.937 2.604 1.00 0.00 H new ATOM 1121 N SER A 68 -15.762 -19.672 -1.929 1.00 0.00 N ATOM 1122 CA SER A 68 -15.786 -19.059 -3.252 1.00 0.00 C ATOM 1123 C SER A 68 -17.220 -18.849 -3.727 1.00 0.00 C ATOM 1124 O SER A 68 -18.174 -19.131 -3.002 1.00 0.00 O ATOM 1125 CB SER A 68 -15.027 -19.930 -4.255 1.00 0.00 C ATOM 1126 OG SER A 68 -15.834 -21.000 -4.714 1.00 0.00 O ATOM 0 H SER A 68 -16.636 -20.123 -1.657 1.00 0.00 H new ATOM 0 HA SER A 68 -15.298 -18.087 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.708 -19.322 -5.101 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.125 -20.325 -3.789 1.00 0.00 H new ATOM 0 HG SER A 68 -15.327 -21.541 -5.355 1.00 0.00 H new ATOM 1132 N SER A 69 -17.365 -18.350 -4.951 1.00 0.00 N ATOM 1133 CA SER A 69 -18.682 -18.098 -5.523 1.00 0.00 C ATOM 1134 C SER A 69 -18.625 -18.117 -7.048 1.00 0.00 C ATOM 1135 O SER A 69 -17.764 -17.483 -7.656 1.00 0.00 O ATOM 1136 CB SER A 69 -19.222 -16.751 -5.039 1.00 0.00 C ATOM 1137 OG SER A 69 -18.356 -15.692 -5.407 1.00 0.00 O ATOM 0 H SER A 69 -16.586 -18.112 -5.565 1.00 0.00 H new ATOM 0 HA SER A 69 -19.352 -18.891 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 69 -20.212 -16.579 -5.462 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.338 -16.770 -3.955 1.00 0.00 H new ATOM 0 HG SER A 69 -18.725 -14.842 -5.088 1.00 0.00 H new ATOM 1143 N GLY A 70 -19.550 -18.851 -7.659 1.00 0.00 N ATOM 1144 CA GLY A 70 -19.588 -18.940 -9.107 1.00 0.00 C ATOM 1145 C GLY A 70 -20.416 -17.836 -9.735 1.00 0.00 C ATOM 1146 O GLY A 70 -20.188 -17.456 -10.883 1.00 0.00 O ATOM 0 H GLY A 70 -20.273 -19.385 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.571 -18.894 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -19.998 -19.907 -9.398 1.00 0.00 H new TER 1150 GLY A 70