USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 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 4 LYS NZ :NH3+ -164:sc=-0.00296 (180deg=-0.117) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.012) USER MOD Single : A 11 SER OG : rot 180:sc= 0.191 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.414 K(o=-0.41,f=-1.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= -0.984 (180deg=-1.17) USER MOD Single : A 38 SER OG : rot 47:sc= 1.02 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0231 K(o=-0.023,f=-1.4) USER MOD Single : A 49 ASN : amide:sc= 0.0144 X(o=0.014,f=0.025) USER MOD Single : A 57 THR OG1 : rot 93:sc= 0.283 USER MOD Single : A 59 SER OG : rot -170:sc= 0.381 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -143:sc= -0.145 (180deg=-1.93) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.587 USER MOD Single : A 74 SER OG : rot -100:sc= 0.999 USER MOD ----------------------------------------------------------------- ATOM 97 N LYS A 4 6.776 2.757 -0.301 1.00 0.00 N ATOM 98 CA LYS A 4 5.366 2.683 0.063 1.00 0.00 C ATOM 99 C LYS A 4 4.681 1.520 -0.646 1.00 0.00 C ATOM 100 O LYS A 4 5.230 0.941 -1.584 1.00 0.00 O ATOM 101 CB LYS A 4 4.660 3.996 -0.287 1.00 0.00 C ATOM 102 CG LYS A 4 5.140 5.182 0.531 1.00 0.00 C ATOM 103 CD LYS A 4 4.135 6.321 0.506 1.00 0.00 C ATOM 104 CE LYS A 4 4.328 7.208 -0.714 1.00 0.00 C ATOM 105 NZ LYS A 4 5.545 8.058 -0.594 1.00 0.00 N ATOM 0 HA LYS A 4 5.301 2.517 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.812 4.210 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.587 3.873 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.311 4.869 1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.096 5.531 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.123 5.915 0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.238 6.919 1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.405 6.587 -1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.452 7.844 -0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.502 8.827 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.593 8.463 0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.391 7.479 -0.768 1.00 0.00 H new ATOM 119 N LEU A 5 3.478 1.183 -0.193 1.00 0.00 N ATOM 120 CA LEU A 5 2.717 0.089 -0.785 1.00 0.00 C ATOM 121 C LEU A 5 1.414 0.599 -1.393 1.00 0.00 C ATOM 122 O LEU A 5 0.768 1.491 -0.843 1.00 0.00 O ATOM 123 CB LEU A 5 2.417 -0.979 0.268 1.00 0.00 C ATOM 124 CG LEU A 5 3.564 -1.325 1.218 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.037 -2.049 2.448 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.610 -2.170 0.507 1.00 0.00 C ATOM 0 H LEU A 5 3.009 1.652 0.582 1.00 0.00 H new ATOM 0 HA LEU A 5 3.320 -0.352 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.567 -0.645 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.109 -1.890 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 5 4.035 -0.397 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.867 -2.288 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.326 -1.409 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.540 -2.970 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.418 -2.406 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.153 -3.094 0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.010 -1.616 -0.342 1.00 0.00 H new ATOM 138 N TYR A 6 1.033 0.026 -2.530 1.00 0.00 N ATOM 139 CA TYR A 6 -0.192 0.423 -3.213 1.00 0.00 C ATOM 140 C TYR A 6 -1.358 -0.472 -2.805 1.00 0.00 C ATOM 141 O TYR A 6 -1.249 -1.698 -2.820 1.00 0.00 O ATOM 142 CB TYR A 6 0.002 0.365 -4.729 1.00 0.00 C ATOM 143 CG TYR A 6 -1.294 0.362 -5.507 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.096 -0.771 -5.554 1.00 0.00 C ATOM 145 CD2 TYR A 6 -1.717 1.494 -6.194 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.282 -0.778 -6.264 1.00 0.00 C ATOM 147 CE2 TYR A 6 -2.902 1.497 -6.905 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.680 0.358 -6.937 1.00 0.00 C ATOM 149 OH TYR A 6 -4.860 0.356 -7.644 1.00 0.00 O ATOM 0 H TYR A 6 1.555 -0.715 -2.998 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.424 1.447 -2.922 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.602 1.219 -5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.568 -0.532 -4.980 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.788 -1.662 -5.027 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.109 2.386 -6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.893 -1.668 -6.292 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.217 2.385 -7.432 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.994 1.234 -8.059 1.00 0.00 H new ATOM 159 N ILE A 7 -2.473 0.151 -2.439 1.00 0.00 N ATOM 160 CA ILE A 7 -3.661 -0.587 -2.027 1.00 0.00 C ATOM 161 C ILE A 7 -4.831 -0.312 -2.965 1.00 0.00 C ATOM 162 O ILE A 7 -5.255 0.832 -3.128 1.00 0.00 O ATOM 163 CB ILE A 7 -4.075 -0.230 -0.587 1.00 0.00 C ATOM 164 CG1 ILE A 7 -2.849 -0.201 0.327 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.105 -1.224 -0.071 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.184 0.060 1.779 1.00 0.00 C ATOM 0 H ILE A 7 -2.579 1.165 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.406 -1.646 -2.070 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.526 0.762 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.325 -1.154 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.163 0.570 -0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.388 -0.959 0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.987 -1.199 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.679 -2.227 -0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.267 0.067 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.681 1.026 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.846 -0.724 2.146 1.00 0.00 H new ATOM 178 N GLY A 8 -5.353 -1.371 -3.578 1.00 0.00 N ATOM 179 CA GLY A 8 -6.472 -1.222 -4.490 1.00 0.00 C ATOM 180 C GLY A 8 -7.729 -1.898 -3.980 1.00 0.00 C ATOM 181 O GLY A 8 -7.668 -2.753 -3.098 1.00 0.00 O ATOM 0 H GLY A 8 -5.021 -2.328 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.671 -0.162 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.205 -1.642 -5.460 1.00 0.00 H new ATOM 185 N ASN A 9 -8.873 -1.510 -4.534 1.00 0.00 N ATOM 186 CA ASN A 9 -10.152 -2.082 -4.128 1.00 0.00 C ATOM 187 C ASN A 9 -10.586 -1.536 -2.771 1.00 0.00 C ATOM 188 O ASN A 9 -10.939 -2.295 -1.867 1.00 0.00 O ATOM 189 CB ASN A 9 -10.055 -3.608 -4.068 1.00 0.00 C ATOM 190 CG ASN A 9 -11.384 -4.283 -4.350 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.795 -4.412 -5.503 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.063 -4.718 -3.295 1.00 0.00 N ATOM 0 H ASN A 9 -8.941 -0.802 -5.265 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.900 -1.800 -4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.315 -3.951 -4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.700 -3.908 -3.082 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.963 -5.180 -3.423 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.684 -4.590 -2.357 1.00 0.00 H new ATOM 199 N LEU A 10 -10.557 -0.215 -2.635 1.00 0.00 N ATOM 200 CA LEU A 10 -10.948 0.435 -1.389 1.00 0.00 C ATOM 201 C LEU A 10 -12.266 1.185 -1.556 1.00 0.00 C ATOM 202 O LEU A 10 -12.327 2.211 -2.233 1.00 0.00 O ATOM 203 CB LEU A 10 -9.854 1.400 -0.930 1.00 0.00 C ATOM 204 CG LEU A 10 -8.526 0.764 -0.520 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.492 1.836 -0.211 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.720 -0.153 0.679 1.00 0.00 C ATOM 0 H LEU A 10 -10.267 0.427 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.084 -0.337 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.661 2.108 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.235 1.974 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.160 0.166 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.554 1.363 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.330 2.451 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.850 2.462 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.764 -0.597 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.110 0.423 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.426 -0.943 0.422 1.00 0.00 H new ATOM 218 N SER A 11 -13.319 0.666 -0.933 1.00 0.00 N ATOM 219 CA SER A 11 -14.637 1.284 -1.014 1.00 0.00 C ATOM 220 C SER A 11 -14.538 2.797 -0.839 1.00 0.00 C ATOM 221 O SER A 11 -13.650 3.312 -0.160 1.00 0.00 O ATOM 222 CB SER A 11 -15.566 0.696 0.050 1.00 0.00 C ATOM 223 OG SER A 11 -16.538 1.643 0.457 1.00 0.00 O ATOM 0 H SER A 11 -13.285 -0.181 -0.366 1.00 0.00 H new ATOM 0 HA SER A 11 -15.049 1.075 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.061 -0.191 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.981 0.377 0.912 1.00 0.00 H new ATOM 0 HG SER A 11 -17.120 1.243 1.136 1.00 0.00 H new ATOM 229 N PRO A 12 -15.473 3.526 -1.466 1.00 0.00 N ATOM 230 CA PRO A 12 -15.514 4.990 -1.396 1.00 0.00 C ATOM 231 C PRO A 12 -15.911 5.492 -0.011 1.00 0.00 C ATOM 232 O PRO A 12 -15.945 6.697 0.235 1.00 0.00 O ATOM 233 CB PRO A 12 -16.581 5.365 -2.427 1.00 0.00 C ATOM 234 CG PRO A 12 -17.458 4.164 -2.518 1.00 0.00 C ATOM 235 CD PRO A 12 -16.561 2.978 -2.293 1.00 0.00 C ATOM 0 HA PRO A 12 -14.539 5.435 -1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.144 6.244 -2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.133 5.602 -3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.250 4.202 -1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.942 4.108 -3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.085 2.169 -1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.186 2.573 -3.233 1.00 0.00 H new ATOM 243 N ALA A 13 -16.211 4.561 0.888 1.00 0.00 N ATOM 244 CA ALA A 13 -16.602 4.910 2.247 1.00 0.00 C ATOM 245 C ALA A 13 -15.425 4.782 3.208 1.00 0.00 C ATOM 246 O ALA A 13 -15.436 5.352 4.298 1.00 0.00 O ATOM 247 CB ALA A 13 -17.757 4.032 2.706 1.00 0.00 C ATOM 0 H ALA A 13 -16.191 3.559 0.699 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.927 5.950 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.039 4.304 3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.610 4.176 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.451 2.986 2.681 1.00 0.00 H new ATOM 253 N VAL A 14 -14.410 4.029 2.796 1.00 0.00 N ATOM 254 CA VAL A 14 -13.224 3.826 3.620 1.00 0.00 C ATOM 255 C VAL A 14 -12.552 5.155 3.950 1.00 0.00 C ATOM 256 O VAL A 14 -12.398 6.018 3.086 1.00 0.00 O ATOM 257 CB VAL A 14 -12.206 2.907 2.921 1.00 0.00 C ATOM 258 CG1 VAL A 14 -10.967 2.728 3.786 1.00 0.00 C ATOM 259 CG2 VAL A 14 -12.838 1.562 2.597 1.00 0.00 C ATOM 0 H VAL A 14 -14.385 3.549 1.896 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.556 3.351 4.543 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.902 3.375 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.258 2.075 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.504 3.699 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.250 2.282 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.104 0.925 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.171 1.085 3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.692 1.711 1.937 1.00 0.00 H new ATOM 269 N THR A 15 -12.150 5.312 5.208 1.00 0.00 N ATOM 270 CA THR A 15 -11.494 6.534 5.653 1.00 0.00 C ATOM 271 C THR A 15 -10.157 6.229 6.320 1.00 0.00 C ATOM 272 O THR A 15 -9.901 5.098 6.729 1.00 0.00 O ATOM 273 CB THR A 15 -12.379 7.320 6.639 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.696 6.503 7.771 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.663 7.781 5.966 1.00 0.00 C ATOM 0 H THR A 15 -12.268 4.607 5.936 1.00 0.00 H new ATOM 0 HA THR A 15 -11.324 7.142 4.765 1.00 0.00 H new ATOM 0 HB THR A 15 -11.824 8.199 6.968 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.257 7.010 8.394 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.271 8.334 6.682 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.420 8.427 5.122 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.219 6.914 5.611 1.00 0.00 H new ATOM 283 N ALA A 16 -9.309 7.246 6.427 1.00 0.00 N ATOM 284 CA ALA A 16 -7.999 7.088 7.047 1.00 0.00 C ATOM 285 C ALA A 16 -8.119 6.450 8.426 1.00 0.00 C ATOM 286 O ALA A 16 -7.228 5.722 8.865 1.00 0.00 O ATOM 287 CB ALA A 16 -7.294 8.432 7.144 1.00 0.00 C ATOM 0 H ALA A 16 -9.506 8.189 6.092 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.405 6.425 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.317 8.298 7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.166 8.849 6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.893 9.114 7.748 1.00 0.00 H new ATOM 293 N ASP A 17 -9.226 6.728 9.108 1.00 0.00 N ATOM 294 CA ASP A 17 -9.462 6.181 10.439 1.00 0.00 C ATOM 295 C ASP A 17 -9.563 4.659 10.391 1.00 0.00 C ATOM 296 O ASP A 17 -9.020 3.964 11.250 1.00 0.00 O ATOM 297 CB ASP A 17 -10.741 6.770 11.036 1.00 0.00 C ATOM 298 CG ASP A 17 -10.891 8.249 10.737 1.00 0.00 C ATOM 299 OD1 ASP A 17 -9.856 8.937 10.615 1.00 0.00 O ATOM 300 OD2 ASP A 17 -12.044 8.719 10.627 1.00 0.00 O ATOM 0 H ASP A 17 -9.973 7.329 8.761 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.616 6.452 11.071 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.604 6.233 10.641 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.738 6.619 12.115 1.00 0.00 H new ATOM 305 N ASP A 18 -10.262 4.150 9.383 1.00 0.00 N ATOM 306 CA ASP A 18 -10.433 2.709 9.223 1.00 0.00 C ATOM 307 C ASP A 18 -9.112 2.042 8.855 1.00 0.00 C ATOM 308 O ASP A 18 -8.790 0.963 9.355 1.00 0.00 O ATOM 309 CB ASP A 18 -11.482 2.417 8.150 1.00 0.00 C ATOM 310 CG ASP A 18 -12.204 1.104 8.389 1.00 0.00 C ATOM 311 OD1 ASP A 18 -11.523 0.091 8.649 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.450 1.091 8.317 1.00 0.00 O ATOM 0 H ASP A 18 -10.719 4.712 8.665 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.772 2.300 10.175 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.209 3.229 8.126 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.000 2.391 7.172 1.00 0.00 H new ATOM 317 N LEU A 19 -8.351 2.689 7.980 1.00 0.00 N ATOM 318 CA LEU A 19 -7.064 2.158 7.544 1.00 0.00 C ATOM 319 C LEU A 19 -6.104 2.025 8.723 1.00 0.00 C ATOM 320 O LEU A 19 -5.461 0.989 8.898 1.00 0.00 O ATOM 321 CB LEU A 19 -6.453 3.062 6.474 1.00 0.00 C ATOM 322 CG LEU A 19 -6.770 2.695 5.023 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.013 3.601 4.065 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.432 1.235 4.758 1.00 0.00 C ATOM 0 H LEU A 19 -8.603 3.583 7.558 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.231 1.168 7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.792 4.082 6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.370 3.060 6.600 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.838 2.837 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.251 3.325 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.303 4.637 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.941 3.491 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.663 0.990 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.371 1.068 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.019 0.599 5.421 1.00 0.00 H new ATOM 336 N ARG A 20 -6.013 3.078 9.527 1.00 0.00 N ATOM 337 CA ARG A 20 -5.132 3.078 10.689 1.00 0.00 C ATOM 338 C ARG A 20 -5.617 2.083 11.739 1.00 0.00 C ATOM 339 O ARG A 20 -4.815 1.410 12.386 1.00 0.00 O ATOM 340 CB ARG A 20 -5.054 4.480 11.297 1.00 0.00 C ATOM 341 CG ARG A 20 -6.368 4.960 11.890 1.00 0.00 C ATOM 342 CD ARG A 20 -6.192 6.264 12.651 1.00 0.00 C ATOM 343 NE ARG A 20 -5.520 6.064 13.933 1.00 0.00 N ATOM 344 CZ ARG A 20 -6.097 5.497 14.985 1.00 0.00 C ATOM 345 NH1 ARG A 20 -7.352 5.076 14.910 1.00 0.00 N ATOM 346 NH2 ARG A 20 -5.420 5.349 16.116 1.00 0.00 N ATOM 0 H ARG A 20 -6.538 3.942 9.396 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.138 2.777 10.359 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.290 4.488 12.074 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.734 5.183 10.528 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.099 5.098 11.093 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.766 4.198 12.559 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.615 6.962 12.045 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.168 6.719 12.820 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.554 6.378 14.024 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.876 5.188 14.042 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.793 4.641 15.720 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.454 5.671 16.178 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.865 4.913 16.924 1.00 0.00 H new ATOM 360 N GLN A 21 -6.932 1.996 11.901 1.00 0.00 N ATOM 361 CA GLN A 21 -7.524 1.084 12.874 1.00 0.00 C ATOM 362 C GLN A 21 -7.352 -0.367 12.433 1.00 0.00 C ATOM 363 O GLN A 21 -7.144 -1.256 13.260 1.00 0.00 O ATOM 364 CB GLN A 21 -9.008 1.400 13.064 1.00 0.00 C ATOM 365 CG GLN A 21 -9.825 0.213 13.550 1.00 0.00 C ATOM 366 CD GLN A 21 -9.506 -0.168 14.982 1.00 0.00 C ATOM 367 OE1 GLN A 21 -8.832 -1.166 15.236 1.00 0.00 O ATOM 368 NE2 GLN A 21 -9.991 0.628 15.928 1.00 0.00 N ATOM 0 H GLN A 21 -7.609 2.545 11.372 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.007 1.220 13.824 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.109 2.217 13.779 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.420 1.752 12.118 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.886 0.449 13.469 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.638 -0.642 12.900 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.545 1.445 15.672 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.809 0.422 16.910 1.00 0.00 H new ATOM 377 N LEU A 22 -7.441 -0.598 11.129 1.00 0.00 N ATOM 378 CA LEU A 22 -7.296 -1.941 10.579 1.00 0.00 C ATOM 379 C LEU A 22 -5.863 -2.441 10.733 1.00 0.00 C ATOM 380 O LEU A 22 -5.632 -3.592 11.104 1.00 0.00 O ATOM 381 CB LEU A 22 -7.697 -1.954 9.102 1.00 0.00 C ATOM 382 CG LEU A 22 -7.475 -3.272 8.358 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.554 -4.280 8.725 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.450 -3.040 6.855 1.00 0.00 C ATOM 0 H LEU A 22 -7.613 0.127 10.432 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.955 -2.608 11.135 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.753 -1.693 9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.139 -1.171 8.588 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.509 -3.677 8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.380 -5.212 8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.524 -4.470 9.798 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.532 -3.881 8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.291 -3.989 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.400 -2.611 6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.641 -2.354 6.606 1.00 0.00 H new ATOM 396 N PHE A 23 -4.903 -1.567 10.447 1.00 0.00 N ATOM 397 CA PHE A 23 -3.492 -1.920 10.556 1.00 0.00 C ATOM 398 C PHE A 23 -3.105 -2.177 12.009 1.00 0.00 C ATOM 399 O PHE A 23 -2.383 -3.126 12.312 1.00 0.00 O ATOM 400 CB PHE A 23 -2.620 -0.804 9.975 1.00 0.00 C ATOM 401 CG PHE A 23 -2.423 -0.909 8.489 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.510 -1.060 7.642 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.153 -0.859 7.940 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.333 -1.157 6.275 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.970 -0.955 6.573 1.00 0.00 C ATOM 406 CZ PHE A 23 -2.060 -1.105 5.740 1.00 0.00 C ATOM 0 H PHE A 23 -5.076 -0.610 10.138 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.328 -2.835 9.988 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.075 0.159 10.206 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.646 -0.822 10.465 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.507 -1.102 8.055 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.296 -0.744 8.587 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.188 -1.273 5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.026 -0.913 6.157 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.918 -1.182 4.672 1.00 0.00 H new ATOM 416 N GLY A 24 -3.593 -1.323 12.905 1.00 0.00 N ATOM 417 CA GLY A 24 -3.288 -1.474 14.315 1.00 0.00 C ATOM 418 C GLY A 24 -3.941 -2.701 14.922 1.00 0.00 C ATOM 419 O GLY A 24 -3.398 -3.310 15.844 1.00 0.00 O ATOM 0 H GLY A 24 -4.194 -0.530 12.679 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.208 -1.539 14.445 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.620 -0.586 14.853 1.00 0.00 H new ATOM 423 N ASP A 25 -5.109 -3.063 14.405 1.00 0.00 N ATOM 424 CA ASP A 25 -5.837 -4.225 14.901 1.00 0.00 C ATOM 425 C ASP A 25 -5.102 -5.517 14.556 1.00 0.00 C ATOM 426 O ASP A 25 -5.129 -6.481 15.320 1.00 0.00 O ATOM 427 CB ASP A 25 -7.250 -4.257 14.317 1.00 0.00 C ATOM 428 CG ASP A 25 -8.147 -5.254 15.023 1.00 0.00 C ATOM 429 OD1 ASP A 25 -8.090 -5.324 16.268 1.00 0.00 O ATOM 430 OD2 ASP A 25 -8.906 -5.965 14.330 1.00 0.00 O ATOM 0 H ASP A 25 -5.572 -2.569 13.643 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.902 -4.144 15.986 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.691 -3.263 14.387 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.196 -4.508 13.258 1.00 0.00 H new ATOM 435 N ARG A 26 -4.447 -5.527 13.400 1.00 0.00 N ATOM 436 CA ARG A 26 -3.706 -6.700 12.952 1.00 0.00 C ATOM 437 C ARG A 26 -2.279 -6.682 13.494 1.00 0.00 C ATOM 438 O ARG A 26 -1.407 -7.398 13.001 1.00 0.00 O ATOM 439 CB ARG A 26 -3.682 -6.761 11.423 1.00 0.00 C ATOM 440 CG ARG A 26 -4.886 -7.467 10.823 1.00 0.00 C ATOM 441 CD ARG A 26 -4.684 -8.973 10.776 1.00 0.00 C ATOM 442 NE ARG A 26 -4.974 -9.604 12.060 1.00 0.00 N ATOM 443 CZ ARG A 26 -6.201 -9.745 12.549 1.00 0.00 C ATOM 444 NH1 ARG A 26 -7.246 -9.303 11.863 1.00 0.00 N ATOM 445 NH2 ARG A 26 -6.384 -10.331 13.726 1.00 0.00 N ATOM 0 H ARG A 26 -4.414 -4.736 12.757 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.211 -7.586 13.336 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.632 -5.746 11.028 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.774 -7.273 11.102 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.774 -7.236 11.411 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.064 -7.091 9.815 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.328 -9.401 10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.656 -9.192 10.488 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.192 -9.956 12.612 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.109 -8.854 10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.187 -9.412 12.241 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.582 -10.673 14.255 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.326 -10.439 14.101 1.00 0.00 H new ATOM 459 N LYS A 27 -2.049 -5.860 14.512 1.00 0.00 N ATOM 460 CA LYS A 27 -0.730 -5.748 15.122 1.00 0.00 C ATOM 461 C LYS A 27 0.299 -5.259 14.108 1.00 0.00 C ATOM 462 O LYS A 27 1.431 -5.742 14.075 1.00 0.00 O ATOM 463 CB LYS A 27 -0.295 -7.099 15.696 1.00 0.00 C ATOM 464 CG LYS A 27 -0.742 -7.323 17.130 1.00 0.00 C ATOM 465 CD LYS A 27 -0.091 -6.332 18.080 1.00 0.00 C ATOM 466 CE LYS A 27 -0.179 -6.803 19.523 1.00 0.00 C ATOM 467 NZ LYS A 27 0.379 -5.796 20.469 1.00 0.00 N ATOM 0 H LYS A 27 -2.760 -5.261 14.932 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.791 -5.019 15.930 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.696 -7.896 15.070 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.791 -7.172 15.647 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.826 -7.229 17.193 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.492 -8.339 17.435 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.955 -6.195 17.804 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.576 -5.361 17.983 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.220 -7.003 19.777 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.362 -7.743 19.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.301 -6.154 21.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.379 -5.624 20.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.153 -4.907 20.383 1.00 0.00 H new ATOM 481 N LEU A 28 -0.101 -4.297 13.284 1.00 0.00 N ATOM 482 CA LEU A 28 0.788 -3.741 12.269 1.00 0.00 C ATOM 483 C LEU A 28 0.796 -2.217 12.327 1.00 0.00 C ATOM 484 O LEU A 28 0.120 -1.538 11.554 1.00 0.00 O ATOM 485 CB LEU A 28 0.360 -4.207 10.877 1.00 0.00 C ATOM 486 CG LEU A 28 0.650 -5.670 10.539 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.346 -6.191 9.515 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.076 -5.827 10.028 1.00 0.00 C ATOM 0 H LEU A 28 -1.034 -3.886 13.298 1.00 0.00 H new ATOM 0 HA LEU A 28 1.798 -4.099 12.471 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.712 -4.037 10.772 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.856 -3.579 10.137 1.00 0.00 H new ATOM 0 HG LEU A 28 0.544 -6.260 11.449 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.123 -7.233 9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.356 -6.116 9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.275 -5.598 8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.265 -6.874 9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.209 -5.223 9.130 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.776 -5.496 10.795 1.00 0.00 H new ATOM 500 N PRO A 29 1.579 -1.664 13.266 1.00 0.00 N ATOM 501 CA PRO A 29 1.695 -0.214 13.446 1.00 0.00 C ATOM 502 C PRO A 29 2.436 0.456 12.293 1.00 0.00 C ATOM 503 O PRO A 29 3.572 0.097 11.979 1.00 0.00 O ATOM 504 CB PRO A 29 2.495 -0.081 14.744 1.00 0.00 C ATOM 505 CG PRO A 29 3.275 -1.347 14.840 1.00 0.00 C ATOM 506 CD PRO A 29 2.412 -2.413 14.222 1.00 0.00 C ATOM 0 HA PRO A 29 0.720 0.272 13.478 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.153 0.788 14.716 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.837 0.045 15.604 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.226 -1.261 14.314 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.506 -1.585 15.878 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.010 -3.175 13.723 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.805 -2.923 14.970 1.00 0.00 H new ATOM 514 N LEU A 30 1.786 1.430 11.665 1.00 0.00 N ATOM 515 CA LEU A 30 2.384 2.151 10.547 1.00 0.00 C ATOM 516 C LEU A 30 3.458 3.118 11.034 1.00 0.00 C ATOM 517 O LEU A 30 3.153 4.177 11.581 1.00 0.00 O ATOM 518 CB LEU A 30 1.307 2.915 9.774 1.00 0.00 C ATOM 519 CG LEU A 30 0.179 2.069 9.181 1.00 0.00 C ATOM 520 CD1 LEU A 30 -1.111 2.871 9.115 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.564 1.559 7.800 1.00 0.00 C ATOM 0 H LEU A 30 0.845 1.738 11.911 1.00 0.00 H new ATOM 0 HA LEU A 30 2.851 1.422 9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.866 3.656 10.441 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.789 3.462 8.963 1.00 0.00 H new ATOM 0 HG LEU A 30 0.015 1.209 9.831 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.902 2.253 8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.396 3.186 10.119 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.961 3.750 8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.250 0.959 7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.756 2.405 7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.463 0.947 7.876 1.00 0.00 H new ATOM 533 N ALA A 31 4.718 2.747 10.830 1.00 0.00 N ATOM 534 CA ALA A 31 5.837 3.582 11.245 1.00 0.00 C ATOM 535 C ALA A 31 6.197 4.594 10.161 1.00 0.00 C ATOM 536 O ALA A 31 7.372 4.859 9.911 1.00 0.00 O ATOM 537 CB ALA A 31 7.043 2.719 11.584 1.00 0.00 C ATOM 0 H ALA A 31 4.989 1.873 10.379 1.00 0.00 H new ATOM 0 HA ALA A 31 5.536 4.133 12.136 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.872 3.357 11.892 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.787 2.039 12.396 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.336 2.142 10.707 1.00 0.00 H new ATOM 543 N GLY A 32 5.177 5.157 9.520 1.00 0.00 N ATOM 544 CA GLY A 32 5.407 6.133 8.471 1.00 0.00 C ATOM 545 C GLY A 32 4.198 7.011 8.221 1.00 0.00 C ATOM 546 O GLY A 32 3.539 7.452 9.163 1.00 0.00 O ATOM 0 H GLY A 32 4.195 4.954 9.709 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.257 6.759 8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.673 5.615 7.549 1.00 0.00 H new ATOM 550 N GLN A 33 3.907 7.267 6.950 1.00 0.00 N ATOM 551 CA GLN A 33 2.770 8.101 6.580 1.00 0.00 C ATOM 552 C GLN A 33 1.706 7.282 5.856 1.00 0.00 C ATOM 553 O GLN A 33 2.011 6.274 5.219 1.00 0.00 O ATOM 554 CB GLN A 33 3.227 9.261 5.694 1.00 0.00 C ATOM 555 CG GLN A 33 3.587 8.840 4.278 1.00 0.00 C ATOM 556 CD GLN A 33 4.641 9.732 3.652 1.00 0.00 C ATOM 557 OE1 GLN A 33 5.708 9.266 3.253 1.00 0.00 O ATOM 558 NE2 GLN A 33 4.346 11.024 3.565 1.00 0.00 N ATOM 0 H GLN A 33 4.443 6.909 6.159 1.00 0.00 H new ATOM 0 HA GLN A 33 2.334 8.502 7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.435 10.009 5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.092 9.739 6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.948 7.812 4.290 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.690 8.856 3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.449 11.367 3.909 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.017 11.674 3.154 1.00 0.00 H new ATOM 567 N VAL A 34 0.456 7.721 5.959 1.00 0.00 N ATOM 568 CA VAL A 34 -0.653 7.029 5.315 1.00 0.00 C ATOM 569 C VAL A 34 -1.397 7.954 4.358 1.00 0.00 C ATOM 570 O VAL A 34 -1.775 9.069 4.723 1.00 0.00 O ATOM 571 CB VAL A 34 -1.647 6.474 6.352 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.821 5.799 5.658 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.949 5.507 7.296 1.00 0.00 C ATOM 0 H VAL A 34 0.186 8.554 6.483 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.224 6.199 4.754 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.032 7.306 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.513 5.413 6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.336 6.523 5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.456 4.977 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.667 5.125 8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.534 4.677 6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.145 6.025 7.819 1.00 0.00 H new ATOM 583 N LEU A 35 -1.605 7.486 3.133 1.00 0.00 N ATOM 584 CA LEU A 35 -2.305 8.272 2.122 1.00 0.00 C ATOM 585 C LEU A 35 -3.546 7.538 1.625 1.00 0.00 C ATOM 586 O LEU A 35 -3.494 6.348 1.316 1.00 0.00 O ATOM 587 CB LEU A 35 -1.373 8.574 0.948 1.00 0.00 C ATOM 588 CG LEU A 35 -0.387 9.725 1.152 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.916 9.211 1.747 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.126 10.445 -0.163 1.00 0.00 C ATOM 0 H LEU A 35 -1.299 6.566 2.815 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.619 9.210 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.805 7.672 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.984 8.796 0.073 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.828 10.436 1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.606 10.043 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.716 8.741 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.361 8.480 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.578 11.261 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.294 9.744 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.062 10.847 -0.550 1.00 0.00 H new ATOM 602 N LEU A 36 -4.662 8.257 1.550 1.00 0.00 N ATOM 603 CA LEU A 36 -5.917 7.675 1.088 1.00 0.00 C ATOM 604 C LEU A 36 -6.416 8.383 -0.167 1.00 0.00 C ATOM 605 O LEU A 36 -6.759 9.566 -0.130 1.00 0.00 O ATOM 606 CB LEU A 36 -6.975 7.756 2.189 1.00 0.00 C ATOM 607 CG LEU A 36 -8.397 7.365 1.784 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.519 5.856 1.655 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.404 7.900 2.792 1.00 0.00 C ATOM 0 H LEU A 36 -4.722 9.243 1.803 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.736 6.628 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.664 7.113 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.995 8.777 2.571 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.614 7.810 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.538 5.597 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.824 5.498 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.283 5.389 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.411 7.613 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.189 7.484 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.334 8.987 2.834 1.00 0.00 H new ATOM 621 N LYS A 37 -6.458 7.653 -1.276 1.00 0.00 N ATOM 622 CA LYS A 37 -6.918 8.209 -2.542 1.00 0.00 C ATOM 623 C LYS A 37 -8.268 7.618 -2.937 1.00 0.00 C ATOM 624 O LYS A 37 -8.649 6.547 -2.464 1.00 0.00 O ATOM 625 CB LYS A 37 -5.891 7.942 -3.645 1.00 0.00 C ATOM 626 CG LYS A 37 -4.728 8.920 -3.642 1.00 0.00 C ATOM 627 CD LYS A 37 -3.833 8.719 -2.431 1.00 0.00 C ATOM 628 CE LYS A 37 -2.707 9.741 -2.394 1.00 0.00 C ATOM 629 NZ LYS A 37 -3.129 11.005 -1.729 1.00 0.00 N ATOM 0 H LYS A 37 -6.178 6.673 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.034 9.285 -2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.504 6.929 -3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.390 7.986 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.143 8.794 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.110 9.941 -3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.428 8.798 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.413 7.714 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.852 9.320 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.379 9.957 -3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.460 11.764 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.081 11.267 -2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.141 10.868 -0.698 1.00 0.00 H new ATOM 643 N SER A 38 -8.986 8.322 -3.806 1.00 0.00 N ATOM 644 CA SER A 38 -10.295 7.867 -4.263 1.00 0.00 C ATOM 645 C SER A 38 -10.162 6.626 -5.141 1.00 0.00 C ATOM 646 O SER A 38 -10.036 6.725 -6.360 1.00 0.00 O ATOM 647 CB SER A 38 -11.003 8.980 -5.037 1.00 0.00 C ATOM 648 OG SER A 38 -10.269 9.344 -6.194 1.00 0.00 O ATOM 0 H SER A 38 -8.684 9.209 -4.208 1.00 0.00 H new ATOM 0 HA SER A 38 -10.890 7.609 -3.387 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.001 8.649 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.129 9.851 -4.394 1.00 0.00 H new ATOM 0 HG SER A 38 -9.993 8.535 -6.674 1.00 0.00 H new ATOM 654 N GLY A 39 -10.194 5.457 -4.509 1.00 0.00 N ATOM 655 CA GLY A 39 -10.077 4.212 -5.247 1.00 0.00 C ATOM 656 C GLY A 39 -8.828 3.435 -4.878 1.00 0.00 C ATOM 657 O GLY A 39 -8.700 2.258 -5.215 1.00 0.00 O ATOM 0 H GLY A 39 -10.299 5.349 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.955 3.595 -5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.066 4.426 -6.316 1.00 0.00 H new ATOM 661 N TYR A 40 -7.906 4.094 -4.186 1.00 0.00 N ATOM 662 CA TYR A 40 -6.659 3.459 -3.777 1.00 0.00 C ATOM 663 C TYR A 40 -6.054 4.175 -2.573 1.00 0.00 C ATOM 664 O TYR A 40 -6.574 5.192 -2.114 1.00 0.00 O ATOM 665 CB TYR A 40 -5.661 3.451 -4.934 1.00 0.00 C ATOM 666 CG TYR A 40 -5.579 4.769 -5.672 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.574 5.151 -6.564 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.507 5.631 -5.477 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.502 6.353 -7.241 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.428 6.835 -6.148 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.428 7.191 -7.030 1.00 0.00 C ATOM 672 OH TYR A 40 -5.354 8.392 -7.701 1.00 0.00 O ATOM 0 H TYR A 40 -7.998 5.068 -3.896 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.881 2.430 -3.493 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.673 3.198 -4.549 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.940 2.667 -5.638 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.417 4.497 -6.731 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.722 5.354 -4.789 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.283 6.635 -7.932 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.589 7.494 -5.984 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.536 8.863 -7.439 1.00 0.00 H new ATOM 682 N ALA A 41 -4.951 3.635 -2.064 1.00 0.00 N ATOM 683 CA ALA A 41 -4.271 4.222 -0.916 1.00 0.00 C ATOM 684 C ALA A 41 -2.813 3.783 -0.858 1.00 0.00 C ATOM 685 O ALA A 41 -2.463 2.693 -1.311 1.00 0.00 O ATOM 686 CB ALA A 41 -4.990 3.845 0.370 1.00 0.00 C ATOM 0 H ALA A 41 -4.509 2.791 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.291 5.306 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.472 4.290 1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.015 4.215 0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.999 2.760 0.477 1.00 0.00 H new ATOM 692 N PHE A 42 -1.964 4.638 -0.297 1.00 0.00 N ATOM 693 CA PHE A 42 -0.542 4.338 -0.180 1.00 0.00 C ATOM 694 C PHE A 42 -0.101 4.352 1.280 1.00 0.00 C ATOM 695 O PHE A 42 -0.449 5.258 2.038 1.00 0.00 O ATOM 696 CB PHE A 42 0.281 5.348 -0.983 1.00 0.00 C ATOM 697 CG PHE A 42 -0.264 5.607 -2.358 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.007 4.726 -3.396 1.00 0.00 C ATOM 699 CD2 PHE A 42 -1.031 6.731 -2.613 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.506 4.962 -4.663 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.535 6.973 -3.877 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.272 6.086 -4.904 1.00 0.00 C ATOM 0 H PHE A 42 -2.236 5.544 0.084 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.373 3.339 -0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.323 6.289 -0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.305 4.984 -1.069 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.590 3.845 -3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.238 7.428 -1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.297 4.268 -5.464 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.133 7.853 -4.062 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.665 6.271 -5.893 1.00 0.00 H new ATOM 712 N VAL A 43 0.668 3.339 1.670 1.00 0.00 N ATOM 713 CA VAL A 43 1.158 3.234 3.040 1.00 0.00 C ATOM 714 C VAL A 43 2.675 3.087 3.071 1.00 0.00 C ATOM 715 O VAL A 43 3.259 2.395 2.236 1.00 0.00 O ATOM 716 CB VAL A 43 0.522 2.038 3.772 1.00 0.00 C ATOM 717 CG1 VAL A 43 -0.903 2.367 4.194 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.553 0.797 2.894 1.00 0.00 C ATOM 0 H VAL A 43 0.965 2.580 1.057 1.00 0.00 H new ATOM 0 HA VAL A 43 0.875 4.155 3.550 1.00 0.00 H new ATOM 0 HB VAL A 43 1.104 1.833 4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.337 1.510 4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.895 3.227 4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.499 2.599 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.099 -0.038 3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.004 0.986 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.586 0.552 2.647 1.00 0.00 H new ATOM 728 N ASP A 44 3.308 3.741 4.038 1.00 0.00 N ATOM 729 CA ASP A 44 4.758 3.682 4.180 1.00 0.00 C ATOM 730 C ASP A 44 5.162 2.606 5.183 1.00 0.00 C ATOM 731 O ASP A 44 4.706 2.607 6.328 1.00 0.00 O ATOM 732 CB ASP A 44 5.305 5.039 4.621 1.00 0.00 C ATOM 733 CG ASP A 44 6.804 5.153 4.423 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.555 4.549 5.218 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.226 5.843 3.472 1.00 0.00 O ATOM 0 H ASP A 44 2.839 4.319 4.736 1.00 0.00 H new ATOM 0 HA ASP A 44 5.183 3.427 3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.806 5.828 4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.068 5.198 5.673 1.00 0.00 H new ATOM 740 N TYR A 45 6.019 1.690 4.748 1.00 0.00 N ATOM 741 CA TYR A 45 6.483 0.606 5.607 1.00 0.00 C ATOM 742 C TYR A 45 7.909 0.861 6.083 1.00 0.00 C ATOM 743 O TYR A 45 8.731 1.446 5.378 1.00 0.00 O ATOM 744 CB TYR A 45 6.412 -0.728 4.864 1.00 0.00 C ATOM 745 CG TYR A 45 7.057 -0.695 3.496 1.00 0.00 C ATOM 746 CD1 TYR A 45 6.448 -0.035 2.436 1.00 0.00 C ATOM 747 CD2 TYR A 45 8.274 -1.323 3.265 1.00 0.00 C ATOM 748 CE1 TYR A 45 7.034 -0.003 1.185 1.00 0.00 C ATOM 749 CE2 TYR A 45 8.867 -1.295 2.018 1.00 0.00 C ATOM 750 CZ TYR A 45 8.243 -0.633 0.981 1.00 0.00 C ATOM 751 OH TYR A 45 8.830 -0.604 -0.264 1.00 0.00 O ATOM 0 H TYR A 45 6.407 1.676 3.805 1.00 0.00 H new ATOM 0 HA TYR A 45 5.830 0.563 6.479 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.897 -1.496 5.467 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.367 -1.019 4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.501 0.461 2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.765 -1.842 4.075 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.547 0.513 0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.814 -1.789 1.856 1.00 0.00 H new ATOM 0 HH TYR A 45 9.678 -1.094 -0.237 1.00 0.00 H new ATOM 761 N PRO A 46 8.212 0.410 7.310 1.00 0.00 N ATOM 762 CA PRO A 46 9.539 0.575 7.910 1.00 0.00 C ATOM 763 C PRO A 46 10.595 -0.287 7.226 1.00 0.00 C ATOM 764 O PRO A 46 11.657 0.204 6.839 1.00 0.00 O ATOM 765 CB PRO A 46 9.334 0.120 9.357 1.00 0.00 C ATOM 766 CG PRO A 46 8.175 -0.813 9.300 1.00 0.00 C ATOM 767 CD PRO A 46 7.281 -0.297 8.206 1.00 0.00 C ATOM 0 HA PRO A 46 9.903 1.598 7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.223 -0.377 9.746 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.129 0.966 10.013 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.503 -1.831 9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.648 -0.840 10.254 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.766 -1.108 7.691 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.513 0.371 8.596 1.00 0.00 H new ATOM 775 N ASP A 47 10.298 -1.572 7.077 1.00 0.00 N ATOM 776 CA ASP A 47 11.222 -2.502 6.438 1.00 0.00 C ATOM 777 C ASP A 47 10.488 -3.402 5.447 1.00 0.00 C ATOM 778 O ASP A 47 9.261 -3.483 5.460 1.00 0.00 O ATOM 779 CB ASP A 47 11.931 -3.355 7.491 1.00 0.00 C ATOM 780 CG ASP A 47 13.322 -3.773 7.055 1.00 0.00 C ATOM 781 OD1 ASP A 47 13.432 -4.745 6.277 1.00 0.00 O ATOM 782 OD2 ASP A 47 14.299 -3.131 7.490 1.00 0.00 O ATOM 0 H ASP A 47 9.424 -1.995 7.390 1.00 0.00 H new ATOM 0 HA ASP A 47 11.965 -1.920 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.998 -2.795 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.335 -4.244 7.696 1.00 0.00 H new ATOM 787 N GLN A 48 11.251 -4.075 4.590 1.00 0.00 N ATOM 788 CA GLN A 48 10.673 -4.966 3.592 1.00 0.00 C ATOM 789 C GLN A 48 9.978 -6.151 4.257 1.00 0.00 C ATOM 790 O GLN A 48 8.967 -6.647 3.763 1.00 0.00 O ATOM 791 CB GLN A 48 11.756 -5.466 2.636 1.00 0.00 C ATOM 792 CG GLN A 48 11.204 -6.152 1.396 1.00 0.00 C ATOM 793 CD GLN A 48 10.805 -5.167 0.314 1.00 0.00 C ATOM 794 OE1 GLN A 48 10.913 -3.954 0.492 1.00 0.00 O ATOM 795 NE2 GLN A 48 10.341 -5.687 -0.817 1.00 0.00 N ATOM 0 H GLN A 48 12.269 -4.020 4.568 1.00 0.00 H new ATOM 0 HA GLN A 48 9.930 -4.404 3.026 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.376 -4.623 2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.405 -6.162 3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.954 -6.837 1.000 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.338 -6.753 1.673 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.269 -6.699 -0.921 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.057 -5.074 -1.581 1.00 0.00 H new ATOM 804 N ASN A 49 10.529 -6.599 5.381 1.00 0.00 N ATOM 805 CA ASN A 49 9.964 -7.725 6.113 1.00 0.00 C ATOM 806 C ASN A 49 8.559 -7.401 6.611 1.00 0.00 C ATOM 807 O ASN A 49 7.641 -8.211 6.481 1.00 0.00 O ATOM 808 CB ASN A 49 10.862 -8.096 7.295 1.00 0.00 C ATOM 809 CG ASN A 49 12.279 -8.423 6.863 1.00 0.00 C ATOM 810 OD1 ASN A 49 13.096 -7.529 6.642 1.00 0.00 O ATOM 811 ND2 ASN A 49 12.577 -9.712 6.741 1.00 0.00 N ATOM 0 H ASN A 49 11.366 -6.199 5.804 1.00 0.00 H new ATOM 0 HA ASN A 49 9.903 -8.573 5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.883 -7.270 8.005 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.437 -8.954 7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.514 -9.994 6.454 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.868 -10.420 6.934 1.00 0.00 H new ATOM 818 N TRP A 50 8.400 -6.212 7.180 1.00 0.00 N ATOM 819 CA TRP A 50 7.106 -5.780 7.696 1.00 0.00 C ATOM 820 C TRP A 50 6.092 -5.628 6.567 1.00 0.00 C ATOM 821 O TRP A 50 4.935 -6.024 6.703 1.00 0.00 O ATOM 822 CB TRP A 50 7.250 -4.456 8.450 1.00 0.00 C ATOM 823 CG TRP A 50 5.946 -3.907 8.943 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.464 -3.961 10.219 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.956 -3.223 8.166 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.234 -3.352 10.282 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.901 -2.890 9.037 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.860 -2.857 6.821 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.764 -2.211 8.604 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.732 -2.184 6.393 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.697 -1.866 7.281 1.00 0.00 C ATOM 0 H TRP A 50 9.150 -5.530 7.296 1.00 0.00 H new ATOM 0 HA TRP A 50 6.744 -6.544 8.384 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.919 -4.601 9.298 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.720 -3.723 7.795 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.974 -4.415 11.055 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.661 -3.259 11.121 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.653 -3.096 6.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.964 -1.966 9.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.647 -1.898 5.355 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.829 -1.338 6.915 1.00 0.00 H new ATOM 842 N ALA A 51 6.533 -5.052 5.455 1.00 0.00 N ATOM 843 CA ALA A 51 5.665 -4.850 4.302 1.00 0.00 C ATOM 844 C ALA A 51 5.135 -6.179 3.775 1.00 0.00 C ATOM 845 O ALA A 51 3.931 -6.339 3.565 1.00 0.00 O ATOM 846 CB ALA A 51 6.408 -4.104 3.203 1.00 0.00 C ATOM 0 H ALA A 51 7.488 -4.716 5.328 1.00 0.00 H new ATOM 0 HA ALA A 51 4.814 -4.249 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.746 -3.961 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.732 -3.133 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.278 -4.683 2.895 1.00 0.00 H new ATOM 852 N ILE A 52 6.039 -7.129 3.561 1.00 0.00 N ATOM 853 CA ILE A 52 5.661 -8.444 3.059 1.00 0.00 C ATOM 854 C ILE A 52 4.660 -9.121 3.988 1.00 0.00 C ATOM 855 O ILE A 52 3.678 -9.711 3.536 1.00 0.00 O ATOM 856 CB ILE A 52 6.890 -9.358 2.895 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.881 -8.744 1.905 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.462 -10.743 2.433 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.285 -9.293 2.035 1.00 0.00 C ATOM 0 H ILE A 52 7.039 -7.012 3.728 1.00 0.00 H new ATOM 0 HA ILE A 52 5.200 -8.288 2.084 1.00 0.00 H new ATOM 0 HB ILE A 52 7.384 -9.455 3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.524 -8.919 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.907 -7.664 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.341 -11.377 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.790 -11.181 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.948 -10.664 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.933 -8.812 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.662 -9.094 3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.273 -10.369 1.858 1.00 0.00 H new ATOM 871 N ARG A 53 4.911 -9.029 5.290 1.00 0.00 N ATOM 872 CA ARG A 53 4.031 -9.631 6.284 1.00 0.00 C ATOM 873 C ARG A 53 2.702 -8.886 6.355 1.00 0.00 C ATOM 874 O ARG A 53 1.664 -9.475 6.657 1.00 0.00 O ATOM 875 CB ARG A 53 4.703 -9.631 7.659 1.00 0.00 C ATOM 876 CG ARG A 53 3.781 -10.066 8.786 1.00 0.00 C ATOM 877 CD ARG A 53 4.569 -10.578 9.982 1.00 0.00 C ATOM 878 NE ARG A 53 3.810 -10.467 11.225 1.00 0.00 N ATOM 879 CZ ARG A 53 3.696 -9.339 11.917 1.00 0.00 C ATOM 880 NH1 ARG A 53 4.287 -8.232 11.490 1.00 0.00 N ATOM 881 NH2 ARG A 53 2.989 -9.316 13.040 1.00 0.00 N ATOM 0 H ARG A 53 5.718 -8.543 5.681 1.00 0.00 H new ATOM 0 HA ARG A 53 3.835 -10.660 5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.568 -10.294 7.632 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.076 -8.629 7.872 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.157 -9.226 9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.111 -10.848 8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.843 -11.620 9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.498 -10.014 10.073 1.00 0.00 H new ATOM 0 HE ARG A 53 3.342 -11.301 11.581 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.831 -8.245 10.628 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.197 -7.368 12.024 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.532 -10.165 13.373 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.902 -8.449 13.570 1.00 0.00 H new ATOM 895 N ALA A 54 2.742 -7.586 6.077 1.00 0.00 N ATOM 896 CA ALA A 54 1.540 -6.761 6.108 1.00 0.00 C ATOM 897 C ALA A 54 0.611 -7.101 4.949 1.00 0.00 C ATOM 898 O ALA A 54 -0.596 -7.260 5.134 1.00 0.00 O ATOM 899 CB ALA A 54 1.913 -5.286 6.075 1.00 0.00 C ATOM 0 H ALA A 54 3.593 -7.082 5.828 1.00 0.00 H new ATOM 0 HA ALA A 54 1.009 -6.969 7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.007 -4.681 6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.531 -5.048 6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.469 -5.072 5.162 1.00 0.00 H new ATOM 905 N ILE A 55 1.180 -7.210 3.753 1.00 0.00 N ATOM 906 CA ILE A 55 0.401 -7.530 2.563 1.00 0.00 C ATOM 907 C ILE A 55 -0.212 -8.922 2.667 1.00 0.00 C ATOM 908 O ILE A 55 -1.402 -9.107 2.409 1.00 0.00 O ATOM 909 CB ILE A 55 1.262 -7.455 1.289 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.753 -6.023 1.062 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.473 -7.947 0.085 1.00 0.00 C ATOM 912 CD1 ILE A 55 3.082 -5.945 0.344 1.00 0.00 C ATOM 0 H ILE A 55 2.177 -7.081 3.582 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.395 -6.788 2.497 1.00 0.00 H new ATOM 0 HB ILE A 55 2.130 -8.101 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.005 -5.479 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.840 -5.521 2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.096 -7.887 -0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.169 -8.981 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.412 -7.325 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.367 -4.900 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.843 -6.461 0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.995 -6.418 -0.634 1.00 0.00 H new ATOM 924 N GLU A 56 0.607 -9.898 3.047 1.00 0.00 N ATOM 925 CA GLU A 56 0.144 -11.273 3.186 1.00 0.00 C ATOM 926 C GLU A 56 -0.924 -11.381 4.272 1.00 0.00 C ATOM 927 O GLU A 56 -1.917 -12.091 4.115 1.00 0.00 O ATOM 928 CB GLU A 56 1.316 -12.199 3.514 1.00 0.00 C ATOM 929 CG GLU A 56 1.999 -12.776 2.286 1.00 0.00 C ATOM 930 CD GLU A 56 1.087 -13.685 1.484 1.00 0.00 C ATOM 931 OE1 GLU A 56 0.200 -13.161 0.778 1.00 0.00 O ATOM 932 OE2 GLU A 56 1.260 -14.919 1.564 1.00 0.00 O ATOM 0 H GLU A 56 1.594 -9.761 3.264 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.296 -11.578 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.050 -11.648 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.957 -13.018 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.344 -11.961 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.882 -13.335 2.595 1.00 0.00 H new ATOM 939 N THR A 57 -0.709 -10.671 5.376 1.00 0.00 N ATOM 940 CA THR A 57 -1.649 -10.688 6.490 1.00 0.00 C ATOM 941 C THR A 57 -2.868 -9.822 6.192 1.00 0.00 C ATOM 942 O THR A 57 -3.940 -10.025 6.763 1.00 0.00 O ATOM 943 CB THR A 57 -0.989 -10.196 7.791 1.00 0.00 C ATOM 944 OG1 THR A 57 -0.048 -11.168 8.261 1.00 0.00 O ATOM 945 CG2 THR A 57 -2.035 -9.934 8.863 1.00 0.00 C ATOM 0 H THR A 57 0.108 -10.077 5.522 1.00 0.00 H new ATOM 0 HA THR A 57 -1.964 -11.723 6.622 1.00 0.00 H new ATOM 0 HB THR A 57 -0.469 -9.262 7.578 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.844 -10.953 7.917 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.545 -9.587 9.773 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.731 -9.172 8.513 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.580 -10.855 9.073 1.00 0.00 H new ATOM 953 N LEU A 58 -2.698 -8.856 5.297 1.00 0.00 N ATOM 954 CA LEU A 58 -3.785 -7.958 4.923 1.00 0.00 C ATOM 955 C LEU A 58 -4.410 -8.383 3.598 1.00 0.00 C ATOM 956 O LEU A 58 -5.530 -8.891 3.563 1.00 0.00 O ATOM 957 CB LEU A 58 -3.273 -6.520 4.821 1.00 0.00 C ATOM 958 CG LEU A 58 -2.814 -5.878 6.130 1.00 0.00 C ATOM 959 CD1 LEU A 58 -1.996 -4.626 5.852 1.00 0.00 C ATOM 960 CD2 LEU A 58 -4.011 -5.549 7.011 1.00 0.00 C ATOM 0 H LEU A 58 -1.817 -8.674 4.816 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.550 -8.010 5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.440 -6.501 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.064 -5.903 4.395 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.182 -6.591 6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.678 -4.182 6.795 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.119 -4.888 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.604 -3.909 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.666 -5.093 7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.668 -4.854 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.558 -6.464 7.238 1.00 0.00 H new ATOM 972 N SER A 59 -3.678 -8.171 2.509 1.00 0.00 N ATOM 973 CA SER A 59 -4.161 -8.531 1.181 1.00 0.00 C ATOM 974 C SER A 59 -4.557 -10.003 1.127 1.00 0.00 C ATOM 975 O SER A 59 -3.715 -10.889 1.270 1.00 0.00 O ATOM 976 CB SER A 59 -3.088 -8.239 0.129 1.00 0.00 C ATOM 977 OG SER A 59 -3.608 -8.385 -1.182 1.00 0.00 O ATOM 0 H SER A 59 -2.748 -7.752 2.520 1.00 0.00 H new ATOM 0 HA SER A 59 -5.044 -7.928 0.966 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.709 -7.226 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.245 -8.916 0.267 1.00 0.00 H new ATOM 0 HG SER A 59 -2.874 -8.350 -1.831 1.00 0.00 H new ATOM 983 N GLY A 60 -5.845 -10.256 0.918 1.00 0.00 N ATOM 984 CA GLY A 60 -6.331 -11.622 0.848 1.00 0.00 C ATOM 985 C GLY A 60 -6.705 -12.174 2.210 1.00 0.00 C ATOM 986 O GLY A 60 -7.380 -13.199 2.308 1.00 0.00 O ATOM 0 H GLY A 60 -6.561 -9.540 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.200 -11.662 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.564 -12.255 0.401 1.00 0.00 H new ATOM 990 N LYS A 61 -6.265 -11.495 3.264 1.00 0.00 N ATOM 991 CA LYS A 61 -6.556 -11.923 4.626 1.00 0.00 C ATOM 992 C LYS A 61 -7.292 -10.829 5.394 1.00 0.00 C ATOM 993 O LYS A 61 -7.423 -10.896 6.617 1.00 0.00 O ATOM 994 CB LYS A 61 -5.262 -12.291 5.356 1.00 0.00 C ATOM 995 CG LYS A 61 -4.872 -13.751 5.204 1.00 0.00 C ATOM 996 CD LYS A 61 -3.606 -14.074 5.980 1.00 0.00 C ATOM 997 CE LYS A 61 -3.026 -15.418 5.566 1.00 0.00 C ATOM 998 NZ LYS A 61 -3.583 -16.535 6.377 1.00 0.00 N ATOM 0 H LYS A 61 -5.705 -10.645 3.200 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.198 -12.802 4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.452 -11.666 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.375 -12.062 6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.687 -14.385 5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.722 -13.980 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.866 -13.291 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.825 -14.084 7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.236 -15.595 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.942 -15.395 5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.163 -17.434 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.361 -16.379 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.615 -16.573 6.253 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.771 -9.824 4.670 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.496 -8.717 5.283 1.00 0.00 C ATOM 1014 C VAL A 62 -9.577 -8.183 4.350 1.00 0.00 C ATOM 1015 O VAL A 62 -9.323 -7.926 3.173 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.546 -7.565 5.661 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.336 -6.305 5.979 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.668 -7.965 6.837 1.00 0.00 C ATOM 0 H VAL A 62 -7.670 -9.753 3.657 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.962 -9.107 6.188 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.900 -7.354 4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.649 -5.502 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.919 -6.011 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.008 -6.498 6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.003 -7.140 7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.296 -8.203 7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.075 -8.839 6.568 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.784 -8.020 4.882 1.00 0.00 N ATOM 1029 CA GLU A 63 -11.903 -7.517 4.096 1.00 0.00 C ATOM 1030 C GLU A 63 -12.491 -6.258 4.728 1.00 0.00 C ATOM 1031 O GLU A 63 -12.722 -6.206 5.937 1.00 0.00 O ATOM 1032 CB GLU A 63 -12.988 -8.590 3.968 1.00 0.00 C ATOM 1033 CG GLU A 63 -14.126 -8.196 3.042 1.00 0.00 C ATOM 1034 CD GLU A 63 -15.043 -9.361 2.717 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -15.658 -9.910 3.654 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -15.143 -9.722 1.525 1.00 0.00 O ATOM 0 H GLU A 63 -11.011 -8.229 5.854 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.531 -7.265 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.535 -9.511 3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.393 -8.805 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.707 -7.399 3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.714 -7.793 2.117 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.729 -5.246 3.902 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.289 -3.985 4.379 1.00 0.00 C ATOM 1045 C LEU A 64 -14.561 -3.631 3.615 1.00 0.00 C ATOM 1046 O LEU A 64 -14.568 -3.597 2.383 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.262 -2.861 4.233 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.422 -1.678 5.189 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.362 -2.148 6.634 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.352 -0.630 4.923 1.00 0.00 C ATOM 0 H LEU A 64 -12.543 -5.273 2.899 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.542 -4.103 5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.267 -3.284 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.307 -2.485 3.211 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.398 -1.225 5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.478 -1.293 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.165 -2.862 6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.401 -2.626 6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.481 0.205 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.366 -1.072 5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.441 -0.271 3.898 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.633 -3.364 4.353 1.00 0.00 N ATOM 1063 CA HIS A 65 -16.911 -3.009 3.744 1.00 0.00 C ATOM 1064 C HIS A 65 -17.414 -4.131 2.843 1.00 0.00 C ATOM 1065 O HIS A 65 -17.999 -3.881 1.790 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.774 -1.716 2.940 1.00 0.00 C ATOM 1067 CG HIS A 65 -16.930 -0.476 3.767 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.144 0.144 3.973 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.015 0.258 4.444 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -17.969 1.205 4.738 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -16.687 1.297 5.038 1.00 0.00 N ATOM 0 H HIS A 65 -15.643 -3.386 5.373 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.636 -2.857 4.543 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.797 -1.700 2.457 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.522 -1.710 2.147 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.955 0.062 4.505 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -18.744 1.883 5.064 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.264 2.022 5.617 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.182 -5.371 3.264 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.619 -6.514 2.483 1.00 0.00 C ATOM 1081 C GLY A 66 -16.746 -6.751 1.266 1.00 0.00 C ATOM 1082 O GLY A 66 -16.905 -7.749 0.563 1.00 0.00 O ATOM 0 H GLY A 66 -16.699 -5.604 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.611 -7.404 3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.649 -6.359 2.163 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.820 -5.831 1.015 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.919 -5.944 -0.126 1.00 0.00 C ATOM 1088 C LYS A 67 -13.497 -6.251 0.333 1.00 0.00 C ATOM 1089 O LYS A 67 -12.956 -5.571 1.206 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.933 -4.650 -0.943 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.229 -4.425 -1.703 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.198 -3.122 -2.485 1.00 0.00 C ATOM 1093 CE LYS A 67 -17.550 -2.816 -3.110 1.00 0.00 C ATOM 1094 NZ LYS A 67 -17.417 -1.988 -4.341 1.00 0.00 N ATOM 0 H LYS A 67 -15.674 -4.999 1.587 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.267 -6.766 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.762 -3.806 -0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.105 -4.668 -1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.400 -5.257 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.064 -4.411 -1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.909 -2.306 -1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.440 -3.183 -3.266 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.057 -3.750 -3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.175 -2.293 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.360 -1.801 -4.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.956 -1.086 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.842 -2.498 -5.042 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.898 -7.278 -0.260 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.538 -7.673 0.087 1.00 0.00 C ATOM 1110 C ILE A 68 -10.530 -6.618 -0.356 1.00 0.00 C ATOM 1111 O ILE A 68 -10.542 -6.177 -1.504 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.165 -9.024 -0.550 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.178 -10.098 -0.151 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.760 -9.434 -0.136 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.019 -10.581 1.273 1.00 0.00 C ATOM 0 H ILE A 68 -13.333 -7.852 -0.983 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.504 -7.771 1.172 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.187 -8.916 -1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.185 -9.702 -0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.080 -10.947 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.510 -10.391 -0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.048 -8.677 -0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.713 -9.528 0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.771 -11.341 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.024 -11.008 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.147 -9.743 1.958 1.00 0.00 H new ATOM 1127 N MET A 69 -9.656 -6.219 0.564 1.00 0.00 N ATOM 1128 CA MET A 69 -8.638 -5.219 0.266 1.00 0.00 C ATOM 1129 C MET A 69 -7.422 -5.860 -0.393 1.00 0.00 C ATOM 1130 O MET A 69 -6.936 -6.898 0.055 1.00 0.00 O ATOM 1131 CB MET A 69 -8.216 -4.494 1.545 1.00 0.00 C ATOM 1132 CG MET A 69 -7.054 -5.158 2.265 1.00 0.00 C ATOM 1133 SD MET A 69 -6.880 -4.599 3.970 1.00 0.00 S ATOM 1134 CE MET A 69 -6.456 -2.877 3.720 1.00 0.00 C ATOM 0 H MET A 69 -9.633 -6.573 1.520 1.00 0.00 H new ATOM 0 HA MET A 69 -9.067 -4.497 -0.429 1.00 0.00 H new ATOM 0 HB2 MET A 69 -7.941 -3.469 1.298 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.069 -4.441 2.221 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.195 -6.239 2.254 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.131 -4.952 1.723 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.727 -2.569 4.469 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.030 -2.748 2.725 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.353 -2.264 3.813 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.935 -5.236 -1.461 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.775 -5.747 -2.182 1.00 0.00 C ATOM 1146 C GLU A 70 -4.573 -4.824 -2.005 1.00 0.00 C ATOM 1147 O GLU A 70 -4.651 -3.625 -2.275 1.00 0.00 O ATOM 1148 CB GLU A 70 -6.099 -5.901 -3.670 1.00 0.00 C ATOM 1149 CG GLU A 70 -5.298 -6.994 -4.358 1.00 0.00 C ATOM 1150 CD GLU A 70 -5.934 -7.455 -5.654 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -5.727 -6.785 -6.687 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -6.639 -8.486 -5.636 1.00 0.00 O ATOM 0 H GLU A 70 -7.326 -4.376 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.524 -6.724 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.162 -6.116 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.911 -4.953 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.292 -6.628 -4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.198 -7.845 -3.684 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.461 -5.392 -1.550 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.241 -4.621 -1.336 1.00 0.00 C ATOM 1161 C VAL A 71 -1.078 -5.200 -2.135 1.00 0.00 C ATOM 1162 O VAL A 71 -0.864 -6.413 -2.147 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.856 -4.580 0.154 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.985 -3.369 0.447 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -3.103 -4.574 1.026 1.00 0.00 C ATOM 0 H VAL A 71 -3.379 -6.383 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.444 -3.606 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.281 -5.476 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.723 -3.357 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.076 -3.421 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.531 -2.459 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.812 -4.545 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.706 -3.697 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.685 -5.476 0.835 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.331 -4.327 -2.800 1.00 0.00 N ATOM 1176 CA ASP A 72 0.812 -4.751 -3.600 1.00 0.00 C ATOM 1177 C ASP A 72 1.860 -3.645 -3.680 1.00 0.00 C ATOM 1178 O ASP A 72 1.536 -2.461 -3.584 1.00 0.00 O ATOM 1179 CB ASP A 72 0.359 -5.144 -5.008 1.00 0.00 C ATOM 1180 CG ASP A 72 -0.015 -6.610 -5.107 1.00 0.00 C ATOM 1181 OD1 ASP A 72 -1.188 -6.943 -4.839 1.00 0.00 O ATOM 1182 OD2 ASP A 72 0.867 -7.424 -5.453 1.00 0.00 O ATOM 0 H ASP A 72 -0.496 -3.320 -2.801 1.00 0.00 H new ATOM 0 HA ASP A 72 1.261 -5.618 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.497 -4.533 -5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.158 -4.927 -5.717 1.00 0.00 H new ATOM 1187 N TYR A 73 3.115 -4.040 -3.855 1.00 0.00 N ATOM 1188 CA TYR A 73 4.212 -3.082 -3.944 1.00 0.00 C ATOM 1189 C TYR A 73 3.881 -1.965 -4.928 1.00 0.00 C ATOM 1190 O TYR A 73 3.587 -2.218 -6.097 1.00 0.00 O ATOM 1191 CB TYR A 73 5.500 -3.787 -4.372 1.00 0.00 C ATOM 1192 CG TYR A 73 5.837 -4.996 -3.528 1.00 0.00 C ATOM 1193 CD1 TYR A 73 5.948 -4.894 -2.147 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.045 -6.239 -4.112 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.256 -5.996 -1.372 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.353 -7.346 -3.345 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.457 -7.219 -1.975 1.00 0.00 C ATOM 1198 OH TYR A 73 6.764 -8.320 -1.208 1.00 0.00 O ATOM 0 H TYR A 73 3.399 -5.016 -3.938 1.00 0.00 H new ATOM 0 HA TYR A 73 4.357 -2.642 -2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.407 -4.096 -5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.326 -3.078 -4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.791 -3.937 -1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.965 -6.342 -5.184 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.339 -5.899 -0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.511 -8.305 -3.815 1.00 0.00 H new ATOM 0 HH TYR A 73 6.873 -9.103 -1.788 1.00 0.00 H new ATOM 1208 N SER A 74 3.931 -0.726 -4.448 1.00 0.00 N ATOM 1209 CA SER A 74 3.633 0.431 -5.282 1.00 0.00 C ATOM 1210 C SER A 74 4.475 0.414 -6.554 1.00 0.00 C ATOM 1211 O SER A 74 4.093 0.989 -7.574 1.00 0.00 O ATOM 1212 CB SER A 74 3.887 1.725 -4.506 1.00 0.00 C ATOM 1213 OG SER A 74 5.197 1.748 -3.967 1.00 0.00 O ATOM 0 H SER A 74 4.176 -0.498 -3.484 1.00 0.00 H new ATOM 0 HA SER A 74 2.581 0.385 -5.562 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.747 2.582 -5.165 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.158 1.819 -3.701 1.00 0.00 H new ATOM 0 HG SER A 74 5.164 1.507 -3.018 1.00 0.00 H new