USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 555 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 Set 1.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 31 ASN : amide:sc= -0.0716 K(o=-0.072,f=-0.72) USER MOD Single : A 7 THR OG1 : rot -18:sc= 0.266 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 13 MET CE :methyl 148:sc= -0.304 (180deg=-1.18) USER MOD Single : A 18 CYS SG : rot 126:sc= -0.918 USER MOD Single : A 19 GLN : amide:sc=-0.00832 K(o=-0.0083,f=-1.1) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -133:sc= -0.235 (180deg=-1.76!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.124 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -90:sc= -1.57 USER MOD Single : A 49 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.53) USER MOD Single : A 55 THR OG1 : rot 100:sc= -0.619 USER MOD Single : A 56 MET CE :methyl 159:sc= -7.29! (180deg=-9.31!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= 0.0625 (180deg=-0.23) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0731 USER MOD Single : A 69 LYS NZ :NH3+ -163:sc=-0.00618 (180deg=-0.158) USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 6.728 6.193 9.359 1.00 0.00 N ATOM 102 CA THR A 7 6.913 4.931 8.648 1.00 0.00 C ATOM 103 C THR A 7 5.571 4.344 8.227 1.00 0.00 C ATOM 104 O THR A 7 4.515 4.826 8.637 1.00 0.00 O ATOM 105 CB THR A 7 7.667 3.925 9.520 1.00 0.00 C ATOM 106 OG1 THR A 7 7.165 3.932 10.844 1.00 0.00 O ATOM 107 CG2 THR A 7 9.156 4.184 9.589 1.00 0.00 C ATOM 0 HA THR A 7 7.502 5.135 7.754 1.00 0.00 H new ATOM 0 HB THR A 7 7.508 2.958 9.043 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.654 4.754 10.996 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.627 3.433 10.224 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.581 4.130 8.587 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.334 5.175 10.006 1.00 0.00 H new ATOM 115 N LYS A 8 5.619 3.297 7.409 1.00 0.00 N ATOM 116 CA LYS A 8 4.406 2.642 6.935 1.00 0.00 C ATOM 117 C LYS A 8 3.581 2.121 8.106 1.00 0.00 C ATOM 118 O LYS A 8 2.353 2.197 8.094 1.00 0.00 O ATOM 119 CB LYS A 8 4.759 1.492 5.989 1.00 0.00 C ATOM 120 CG LYS A 8 5.656 1.909 4.835 1.00 0.00 C ATOM 121 CD LYS A 8 5.923 0.749 3.890 1.00 0.00 C ATOM 122 CE LYS A 8 7.167 0.991 3.050 1.00 0.00 C ATOM 123 NZ LYS A 8 7.955 -0.257 2.850 1.00 0.00 N ATOM 0 H LYS A 8 6.485 2.885 7.061 1.00 0.00 H new ATOM 0 HA LYS A 8 3.811 3.377 6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.254 0.704 6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.839 1.067 5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.188 2.726 4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.601 2.287 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.043 -0.170 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.063 0.606 3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.877 1.396 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.792 1.741 3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.794 -0.049 2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.254 -0.631 3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.367 -0.964 2.364 1.00 0.00 H new ATOM 137 N THR A 9 4.264 1.595 9.114 1.00 0.00 N ATOM 138 CA THR A 9 3.596 1.062 10.295 1.00 0.00 C ATOM 139 C THR A 9 2.916 2.174 11.087 1.00 0.00 C ATOM 140 O THR A 9 1.788 2.017 11.552 1.00 0.00 O ATOM 141 CB THR A 9 4.599 0.327 11.186 1.00 0.00 C ATOM 142 OG1 THR A 9 5.803 0.072 10.485 1.00 0.00 O ATOM 143 CG2 THR A 9 4.079 -0.996 11.700 1.00 0.00 C ATOM 0 H THR A 9 5.281 1.526 9.138 1.00 0.00 H new ATOM 0 HA THR A 9 2.832 0.360 9.962 1.00 0.00 H new ATOM 0 HB THR A 9 4.771 0.989 12.035 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.431 -0.397 11.073 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.838 -1.467 12.325 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.177 -0.829 12.288 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.847 -1.648 10.858 1.00 0.00 H new ATOM 151 N ASP A 10 3.611 3.298 11.239 1.00 0.00 N ATOM 152 CA ASP A 10 3.075 4.436 11.980 1.00 0.00 C ATOM 153 C ASP A 10 1.722 4.867 11.418 1.00 0.00 C ATOM 154 O ASP A 10 0.754 5.024 12.162 1.00 0.00 O ATOM 155 CB ASP A 10 4.063 5.607 11.940 1.00 0.00 C ATOM 156 CG ASP A 10 3.562 6.814 12.709 1.00 0.00 C ATOM 157 OD1 ASP A 10 2.487 7.342 12.351 1.00 0.00 O ATOM 158 OD2 ASP A 10 4.243 7.233 13.668 1.00 0.00 O ATOM 0 H ASP A 10 4.546 3.445 10.859 1.00 0.00 H new ATOM 0 HA ASP A 10 2.930 4.129 13.016 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.019 5.287 12.355 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.245 5.890 10.903 1.00 0.00 H new ATOM 163 N TYR A 11 1.662 5.056 10.105 1.00 0.00 N ATOM 164 CA TYR A 11 0.425 5.466 9.450 1.00 0.00 C ATOM 165 C TYR A 11 -0.541 4.290 9.321 1.00 0.00 C ATOM 166 O TYR A 11 -1.737 4.425 9.580 1.00 0.00 O ATOM 167 CB TYR A 11 0.724 6.051 8.067 1.00 0.00 C ATOM 168 CG TYR A 11 0.188 7.452 7.876 1.00 0.00 C ATOM 169 CD1 TYR A 11 -1.176 7.709 7.943 1.00 0.00 C ATOM 170 CD2 TYR A 11 1.045 8.517 7.628 1.00 0.00 C ATOM 171 CE1 TYR A 11 -1.670 8.988 7.769 1.00 0.00 C ATOM 172 CE2 TYR A 11 0.557 9.798 7.453 1.00 0.00 C ATOM 173 CZ TYR A 11 -0.800 10.029 7.524 1.00 0.00 C ATOM 174 OH TYR A 11 -1.288 11.303 7.350 1.00 0.00 O ATOM 0 H TYR A 11 2.454 4.932 9.474 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.045 6.232 10.067 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.803 6.059 7.910 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.296 5.400 7.305 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.861 6.896 8.134 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.109 8.341 7.571 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.733 9.171 7.825 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.237 10.615 7.261 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.543 11.919 7.188 1.00 0.00 H new ATOM 184 N LEU A 12 -0.013 3.140 8.914 1.00 0.00 N ATOM 185 CA LEU A 12 -0.825 1.938 8.742 1.00 0.00 C ATOM 186 C LEU A 12 -1.583 1.593 10.022 1.00 0.00 C ATOM 187 O LEU A 12 -2.782 1.315 9.985 1.00 0.00 O ATOM 188 CB LEU A 12 0.057 0.758 8.324 1.00 0.00 C ATOM 189 CG LEU A 12 -0.674 -0.576 8.126 1.00 0.00 C ATOM 190 CD1 LEU A 12 -0.930 -1.249 9.467 1.00 0.00 C ATOM 191 CD2 LEU A 12 -1.980 -0.369 7.373 1.00 0.00 C ATOM 0 H LEU A 12 0.976 3.014 8.696 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.555 2.137 7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.563 1.017 7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.831 0.620 9.079 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.037 -1.229 7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.449 -2.194 9.307 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.020 -1.437 9.967 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.544 -0.598 10.089 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.482 -1.328 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.624 0.304 7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.771 0.066 6.395 1.00 0.00 H new ATOM 203 N MET A 13 -0.881 1.608 11.149 1.00 0.00 N ATOM 204 CA MET A 13 -1.497 1.290 12.433 1.00 0.00 C ATOM 205 C MET A 13 -2.466 2.389 12.860 1.00 0.00 C ATOM 206 O MET A 13 -3.462 2.124 13.533 1.00 0.00 O ATOM 207 CB MET A 13 -0.424 1.090 13.506 1.00 0.00 C ATOM 208 CG MET A 13 0.353 2.354 13.838 1.00 0.00 C ATOM 209 SD MET A 13 0.007 2.970 15.498 1.00 0.00 S ATOM 210 CE MET A 13 0.459 1.548 16.488 1.00 0.00 C ATOM 0 H MET A 13 0.112 1.836 11.201 1.00 0.00 H new ATOM 0 HA MET A 13 -2.058 0.363 12.317 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.897 0.716 14.414 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.274 0.323 13.170 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.420 2.154 13.744 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.108 3.127 13.110 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.848 1.883 17.450 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.419 0.923 16.650 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.224 0.971 15.968 1.00 0.00 H new ATOM 220 N ARG A 14 -2.167 3.622 12.465 1.00 0.00 N ATOM 221 CA ARG A 14 -3.012 4.760 12.807 1.00 0.00 C ATOM 222 C ARG A 14 -4.250 4.810 11.916 1.00 0.00 C ATOM 223 O ARG A 14 -5.305 5.292 12.329 1.00 0.00 O ATOM 224 CB ARG A 14 -2.223 6.065 12.675 1.00 0.00 C ATOM 225 CG ARG A 14 -3.009 7.296 13.096 1.00 0.00 C ATOM 226 CD ARG A 14 -2.092 8.397 13.602 1.00 0.00 C ATOM 227 NE ARG A 14 -1.589 8.116 14.944 1.00 0.00 N ATOM 228 CZ ARG A 14 -1.068 9.040 15.748 1.00 0.00 C ATOM 229 NH1 ARG A 14 -0.978 10.303 15.349 1.00 0.00 N ATOM 230 NH2 ARG A 14 -0.635 8.700 16.955 1.00 0.00 N ATOM 0 H ARG A 14 -1.346 3.859 11.908 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.336 4.640 13.841 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.319 5.996 13.281 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.904 6.184 11.639 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.590 7.665 12.250 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.720 7.026 13.877 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.252 8.513 12.917 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.632 9.344 13.608 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.640 7.156 15.285 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.309 10.570 14.422 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.578 11.007 15.970 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.701 7.731 17.266 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.236 9.408 17.572 1.00 0.00 H new ATOM 244 N LEU A 15 -4.114 4.311 10.692 1.00 0.00 N ATOM 245 CA LEU A 15 -5.222 4.302 9.742 1.00 0.00 C ATOM 246 C LEU A 15 -6.340 3.377 10.212 1.00 0.00 C ATOM 247 O LEU A 15 -7.516 3.739 10.175 1.00 0.00 O ATOM 248 CB LEU A 15 -4.730 3.868 8.359 1.00 0.00 C ATOM 249 CG LEU A 15 -5.323 4.653 7.185 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.227 5.106 6.233 1.00 0.00 C ATOM 251 CD2 LEU A 15 -6.358 3.813 6.448 1.00 0.00 C ATOM 0 H LEU A 15 -3.248 3.908 10.334 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.620 5.315 9.678 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.645 3.964 8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.960 2.811 8.223 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.818 5.539 7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.670 5.662 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.524 5.747 6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.700 4.235 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.768 4.387 5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.886 2.908 6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.161 3.542 7.133 1.00 0.00 H new ATOM 263 N ARG A 16 -5.967 2.180 10.654 1.00 0.00 N ATOM 264 CA ARG A 16 -6.941 1.203 11.131 1.00 0.00 C ATOM 265 C ARG A 16 -7.667 1.710 12.376 1.00 0.00 C ATOM 266 O ARG A 16 -8.729 1.201 12.735 1.00 0.00 O ATOM 267 CB ARG A 16 -6.251 -0.127 11.436 1.00 0.00 C ATOM 268 CG ARG A 16 -7.090 -1.344 11.076 1.00 0.00 C ATOM 269 CD ARG A 16 -7.160 -2.336 12.227 1.00 0.00 C ATOM 270 NE ARG A 16 -5.892 -3.032 12.426 1.00 0.00 N ATOM 271 CZ ARG A 16 -5.769 -4.166 13.113 1.00 0.00 C ATOM 272 NH1 ARG A 16 -6.833 -4.733 13.667 1.00 0.00 N ATOM 273 NH2 ARG A 16 -4.579 -4.734 13.246 1.00 0.00 N ATOM 0 H ARG A 16 -4.998 1.863 10.692 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.679 1.052 10.343 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.308 -0.171 10.890 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.007 -0.165 12.498 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.097 -1.026 10.807 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.666 -1.833 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.433 -1.811 13.142 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.947 -3.064 12.031 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.051 -2.626 12.015 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.751 -4.300 13.568 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.733 -5.602 14.192 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.758 -4.302 12.822 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.484 -5.603 13.772 1.00 0.00 H new ATOM 287 N ARG A 17 -7.089 2.712 13.034 1.00 0.00 N ATOM 288 CA ARG A 17 -7.682 3.283 14.239 1.00 0.00 C ATOM 289 C ARG A 17 -9.119 3.739 13.987 1.00 0.00 C ATOM 290 O ARG A 17 -9.918 3.838 14.919 1.00 0.00 O ATOM 291 CB ARG A 17 -6.842 4.461 14.735 1.00 0.00 C ATOM 292 CG ARG A 17 -6.709 4.518 16.248 1.00 0.00 C ATOM 293 CD ARG A 17 -5.405 3.895 16.718 1.00 0.00 C ATOM 294 NE ARG A 17 -4.811 4.638 17.828 1.00 0.00 N ATOM 295 CZ ARG A 17 -4.149 5.784 17.683 1.00 0.00 C ATOM 296 NH1 ARG A 17 -3.994 6.321 16.479 1.00 0.00 N ATOM 297 NH2 ARG A 17 -3.639 6.394 18.744 1.00 0.00 N ATOM 0 H ARG A 17 -6.210 3.145 12.752 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.700 2.506 15.003 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.848 4.399 14.293 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.290 5.390 14.383 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.758 5.555 16.579 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.549 3.997 16.708 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.586 2.865 17.027 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.700 3.860 15.887 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.909 4.256 18.769 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.383 5.855 15.659 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.486 7.199 16.374 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.754 5.985 19.671 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.132 7.272 18.633 1.00 0.00 H new ATOM 311 N CYS A 18 -9.441 4.017 12.726 1.00 0.00 N ATOM 312 CA CYS A 18 -10.783 4.464 12.362 1.00 0.00 C ATOM 313 C CYS A 18 -11.840 3.470 12.837 1.00 0.00 C ATOM 314 O CYS A 18 -11.533 2.518 13.555 1.00 0.00 O ATOM 315 CB CYS A 18 -10.887 4.653 10.848 1.00 0.00 C ATOM 316 SG CYS A 18 -11.810 6.127 10.352 1.00 0.00 S ATOM 0 H CYS A 18 -8.794 3.941 11.942 1.00 0.00 H new ATOM 0 HA CYS A 18 -10.965 5.419 12.854 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.882 4.708 10.429 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.365 3.775 10.415 1.00 0.00 H new ATOM 0 HG CYS A 18 -11.081 6.846 9.550 1.00 0.00 H new ATOM 322 N GLN A 19 -13.086 3.703 12.437 1.00 0.00 N ATOM 323 CA GLN A 19 -14.188 2.831 12.826 1.00 0.00 C ATOM 324 C GLN A 19 -14.580 1.896 11.686 1.00 0.00 C ATOM 325 O GLN A 19 -14.877 0.722 11.907 1.00 0.00 O ATOM 326 CB GLN A 19 -15.397 3.665 13.253 1.00 0.00 C ATOM 327 CG GLN A 19 -16.401 2.896 14.095 1.00 0.00 C ATOM 328 CD GLN A 19 -17.298 3.808 14.909 1.00 0.00 C ATOM 329 OE1 GLN A 19 -17.285 5.027 14.736 1.00 0.00 O ATOM 330 NE2 GLN A 19 -18.084 3.221 15.804 1.00 0.00 N ATOM 0 H GLN A 19 -13.357 4.488 11.844 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.854 2.224 13.667 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.050 4.530 13.817 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.898 4.045 12.363 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -17.016 2.275 13.444 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.867 2.223 14.766 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -18.063 2.207 15.914 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.709 3.784 16.381 1.00 0.00 H new ATOM 339 N THR A 20 -14.582 2.424 10.468 1.00 0.00 N ATOM 340 CA THR A 20 -14.942 1.635 9.296 1.00 0.00 C ATOM 341 C THR A 20 -14.026 1.952 8.118 1.00 0.00 C ATOM 342 O THR A 20 -13.518 3.065 7.994 1.00 0.00 O ATOM 343 CB THR A 20 -16.398 1.896 8.908 1.00 0.00 C ATOM 344 OG1 THR A 20 -16.803 1.027 7.866 1.00 0.00 O ATOM 345 CG2 THR A 20 -16.653 3.316 8.446 1.00 0.00 C ATOM 0 H THR A 20 -14.339 3.394 10.266 1.00 0.00 H new ATOM 0 HA THR A 20 -14.822 0.582 9.550 1.00 0.00 H new ATOM 0 HB THR A 20 -16.973 1.719 9.817 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.738 1.208 7.633 1.00 0.00 H new ATOM 0 HG21 THR A 20 -17.705 3.431 8.187 1.00 0.00 H new ATOM 0 HG22 THR A 20 -16.399 4.010 9.247 1.00 0.00 H new ATOM 0 HG23 THR A 20 -16.038 3.530 7.572 1.00 0.00 H new ATOM 353 N ILE A 21 -13.825 0.963 7.252 1.00 0.00 N ATOM 354 CA ILE A 21 -12.977 1.135 6.080 1.00 0.00 C ATOM 355 C ILE A 21 -13.683 1.973 5.016 1.00 0.00 C ATOM 356 O ILE A 21 -13.043 2.716 4.272 1.00 0.00 O ATOM 357 CB ILE A 21 -12.570 -0.229 5.477 1.00 0.00 C ATOM 358 CG1 ILE A 21 -11.698 -1.007 6.464 1.00 0.00 C ATOM 359 CG2 ILE A 21 -11.833 -0.038 4.157 1.00 0.00 C ATOM 360 CD1 ILE A 21 -12.470 -1.584 7.632 1.00 0.00 C ATOM 0 H ILE A 21 -14.238 0.035 7.341 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.076 1.656 6.405 1.00 0.00 H new ATOM 0 HB ILE A 21 -13.477 -0.802 5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -11.199 -1.818 5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.918 -0.347 6.845 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.556 -1.011 3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -12.481 0.479 3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.934 0.554 4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.787 -2.122 8.290 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -12.948 -0.777 8.187 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.232 -2.270 7.261 1.00 0.00 H new ATOM 372 N ASP A 22 -15.004 1.846 4.949 1.00 0.00 N ATOM 373 CA ASP A 22 -15.798 2.591 3.976 1.00 0.00 C ATOM 374 C ASP A 22 -15.553 4.091 4.106 1.00 0.00 C ATOM 375 O ASP A 22 -15.262 4.770 3.122 1.00 0.00 O ATOM 376 CB ASP A 22 -17.286 2.283 4.157 1.00 0.00 C ATOM 377 CG ASP A 22 -17.984 2.010 2.840 1.00 0.00 C ATOM 378 OD1 ASP A 22 -17.610 2.640 1.828 1.00 0.00 O ATOM 379 OD2 ASP A 22 -18.906 1.169 2.820 1.00 0.00 O ATOM 0 H ASP A 22 -15.549 1.234 5.557 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.490 2.279 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.398 1.418 4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -17.770 3.123 4.654 1.00 0.00 H new ATOM 384 N THR A 23 -15.668 4.603 5.329 1.00 0.00 N ATOM 385 CA THR A 23 -15.454 6.021 5.586 1.00 0.00 C ATOM 386 C THR A 23 -14.013 6.409 5.272 1.00 0.00 C ATOM 387 O THR A 23 -13.757 7.426 4.626 1.00 0.00 O ATOM 388 CB THR A 23 -15.798 6.354 7.044 1.00 0.00 C ATOM 389 OG1 THR A 23 -16.247 7.692 7.159 1.00 0.00 O ATOM 390 CG2 THR A 23 -14.643 6.174 8.009 1.00 0.00 C ATOM 0 H THR A 23 -15.908 4.056 6.156 1.00 0.00 H new ATOM 0 HA THR A 23 -16.112 6.596 4.935 1.00 0.00 H new ATOM 0 HB THR A 23 -16.579 5.643 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 23 -16.463 7.885 8.095 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.968 6.430 9.017 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.309 5.137 7.987 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.820 6.826 7.717 1.00 0.00 H new ATOM 398 N LEU A 24 -13.078 5.587 5.732 1.00 0.00 N ATOM 399 CA LEU A 24 -11.659 5.834 5.502 1.00 0.00 C ATOM 400 C LEU A 24 -11.371 5.965 4.014 1.00 0.00 C ATOM 401 O LEU A 24 -10.475 6.700 3.607 1.00 0.00 O ATOM 402 CB LEU A 24 -10.817 4.709 6.099 1.00 0.00 C ATOM 403 CG LEU A 24 -9.943 5.128 7.276 1.00 0.00 C ATOM 404 CD1 LEU A 24 -9.115 3.953 7.772 1.00 0.00 C ATOM 405 CD2 LEU A 24 -9.046 6.297 6.886 1.00 0.00 C ATOM 0 H LEU A 24 -13.277 4.742 6.268 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.394 6.771 5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.481 3.908 6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.179 4.297 5.318 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.592 5.453 8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.498 4.272 8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.779 3.150 8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.474 3.594 6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.429 6.583 7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.404 6.002 6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.662 7.144 6.584 1.00 0.00 H new ATOM 417 N GLU A 25 -12.140 5.254 3.205 1.00 0.00 N ATOM 418 CA GLU A 25 -11.966 5.305 1.759 1.00 0.00 C ATOM 419 C GLU A 25 -12.120 6.741 1.270 1.00 0.00 C ATOM 420 O GLU A 25 -11.376 7.201 0.400 1.00 0.00 O ATOM 421 CB GLU A 25 -12.985 4.399 1.065 1.00 0.00 C ATOM 422 CG GLU A 25 -12.701 4.183 -0.413 1.00 0.00 C ATOM 423 CD GLU A 25 -13.312 5.260 -1.287 1.00 0.00 C ATOM 424 OE1 GLU A 25 -14.507 5.139 -1.632 1.00 0.00 O ATOM 425 OE2 GLU A 25 -12.596 6.226 -1.628 1.00 0.00 O ATOM 0 H GLU A 25 -12.888 4.637 3.521 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.965 4.950 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.001 3.432 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.979 4.833 1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.623 4.159 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.090 3.211 -0.716 1.00 0.00 H new ATOM 432 N ARG A 26 -13.081 7.450 1.853 1.00 0.00 N ATOM 433 CA ARG A 26 -13.329 8.840 1.499 1.00 0.00 C ATOM 434 C ARG A 26 -12.122 9.700 1.861 1.00 0.00 C ATOM 435 O ARG A 26 -11.644 10.491 1.046 1.00 0.00 O ATOM 436 CB ARG A 26 -14.580 9.356 2.213 1.00 0.00 C ATOM 437 CG ARG A 26 -14.871 10.826 1.950 1.00 0.00 C ATOM 438 CD ARG A 26 -14.824 11.648 3.229 1.00 0.00 C ATOM 439 NE ARG A 26 -15.933 12.595 3.311 1.00 0.00 N ATOM 440 CZ ARG A 26 -15.941 13.662 4.107 1.00 0.00 C ATOM 441 NH1 ARG A 26 -14.903 13.923 4.890 1.00 0.00 N ATOM 442 NH2 ARG A 26 -16.992 14.471 4.118 1.00 0.00 N ATOM 0 H ARG A 26 -13.701 7.082 2.574 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.492 8.901 0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.438 8.763 1.898 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.464 9.204 3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.145 11.219 1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -15.854 10.925 1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.853 10.981 4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.880 12.190 3.277 1.00 0.00 H new ATOM 0 HE ARG A 26 -16.750 12.429 2.723 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.092 13.304 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.916 14.742 5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.793 14.275 3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.000 15.289 4.727 1.00 0.00 H new ATOM 456 N VAL A 27 -11.626 9.530 3.084 1.00 0.00 N ATOM 457 CA VAL A 27 -10.467 10.285 3.540 1.00 0.00 C ATOM 458 C VAL A 27 -9.197 9.798 2.846 1.00 0.00 C ATOM 459 O VAL A 27 -8.218 10.534 2.729 1.00 0.00 O ATOM 460 CB VAL A 27 -10.296 10.207 5.076 1.00 0.00 C ATOM 461 CG1 VAL A 27 -9.663 8.891 5.511 1.00 0.00 C ATOM 462 CG2 VAL A 27 -9.478 11.389 5.570 1.00 0.00 C ATOM 0 H VAL A 27 -12.007 8.880 3.772 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.639 11.328 3.276 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.288 10.249 5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.561 8.877 6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.296 8.061 5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.679 8.792 5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.363 11.325 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.495 11.373 5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.988 12.317 5.313 1.00 0.00 H new ATOM 472 N ILE A 28 -9.230 8.551 2.381 1.00 0.00 N ATOM 473 CA ILE A 28 -8.094 7.961 1.690 1.00 0.00 C ATOM 474 C ILE A 28 -7.742 8.781 0.452 1.00 0.00 C ATOM 475 O ILE A 28 -6.569 8.974 0.130 1.00 0.00 O ATOM 476 CB ILE A 28 -8.390 6.489 1.295 1.00 0.00 C ATOM 477 CG1 ILE A 28 -7.267 5.568 1.775 1.00 0.00 C ATOM 478 CG2 ILE A 28 -8.593 6.339 -0.209 1.00 0.00 C ATOM 479 CD1 ILE A 28 -7.119 5.526 3.281 1.00 0.00 C ATOM 0 H ILE A 28 -10.035 7.931 2.472 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.242 7.967 2.369 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.319 6.198 1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.455 4.559 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.326 5.897 1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.798 5.295 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.435 6.955 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.692 6.660 -0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.304 4.853 3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.900 6.527 3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.046 5.168 3.728 1.00 0.00 H new ATOM 491 N GLU A 29 -8.772 9.267 -0.231 1.00 0.00 N ATOM 492 CA GLU A 29 -8.583 10.074 -1.429 1.00 0.00 C ATOM 493 C GLU A 29 -8.114 11.479 -1.064 1.00 0.00 C ATOM 494 O GLU A 29 -7.209 12.027 -1.692 1.00 0.00 O ATOM 495 CB GLU A 29 -9.886 10.146 -2.232 1.00 0.00 C ATOM 496 CG GLU A 29 -9.849 9.340 -3.521 1.00 0.00 C ATOM 497 CD GLU A 29 -10.015 10.204 -4.756 1.00 0.00 C ATOM 498 OE1 GLU A 29 -11.162 10.594 -5.058 1.00 0.00 O ATOM 499 OE2 GLU A 29 -8.998 10.491 -5.420 1.00 0.00 O ATOM 0 H GLU A 29 -9.748 9.116 0.025 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.816 9.602 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.707 9.786 -1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.100 11.188 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.902 8.804 -3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.639 8.590 -3.498 1.00 0.00 H new ATOM 506 N LYS A 30 -8.737 12.053 -0.040 1.00 0.00 N ATOM 507 CA LYS A 30 -8.386 13.394 0.414 1.00 0.00 C ATOM 508 C LYS A 30 -6.960 13.428 0.957 1.00 0.00 C ATOM 509 O LYS A 30 -6.175 14.312 0.611 1.00 0.00 O ATOM 510 CB LYS A 30 -9.367 13.863 1.490 1.00 0.00 C ATOM 511 CG LYS A 30 -9.743 15.331 1.372 1.00 0.00 C ATOM 512 CD LYS A 30 -10.879 15.539 0.381 1.00 0.00 C ATOM 513 CE LYS A 30 -10.375 16.113 -0.933 1.00 0.00 C ATOM 514 NZ LYS A 30 -10.237 15.066 -1.982 1.00 0.00 N ATOM 0 H LYS A 30 -9.487 11.611 0.491 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.446 14.068 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.272 13.259 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.928 13.687 2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.038 15.712 2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.873 15.906 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.380 14.589 0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.621 16.211 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.063 16.885 -1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.410 16.594 -0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.315 15.165 -2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.303 14.125 -1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.997 15.175 -2.684 1.00 0.00 H new ATOM 528 N ASN A 31 -6.631 12.463 1.809 1.00 0.00 N ATOM 529 CA ASN A 31 -5.299 12.386 2.401 1.00 0.00 C ATOM 530 C ASN A 31 -4.230 12.264 1.321 1.00 0.00 C ATOM 531 O ASN A 31 -3.127 12.791 1.464 1.00 0.00 O ATOM 532 CB ASN A 31 -5.210 11.196 3.357 1.00 0.00 C ATOM 533 CG ASN A 31 -4.420 11.519 4.612 1.00 0.00 C ATOM 534 OD1 ASN A 31 -3.225 11.807 4.549 1.00 0.00 O ATOM 535 ND2 ASN A 31 -5.088 11.473 5.758 1.00 0.00 N ATOM 0 H ASN A 31 -7.268 11.723 2.105 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.124 13.306 2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.216 10.881 3.635 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.743 10.355 2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.611 11.681 6.635 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.078 11.229 5.762 1.00 0.00 H new ATOM 542 N LYS A 32 -4.563 11.568 0.239 1.00 0.00 N ATOM 543 CA LYS A 32 -3.630 11.380 -0.865 1.00 0.00 C ATOM 544 C LYS A 32 -3.192 12.725 -1.434 1.00 0.00 C ATOM 545 O LYS A 32 -2.002 12.965 -1.644 1.00 0.00 O ATOM 546 CB LYS A 32 -4.270 10.531 -1.964 1.00 0.00 C ATOM 547 CG LYS A 32 -4.058 9.037 -1.779 1.00 0.00 C ATOM 548 CD LYS A 32 -4.563 8.250 -2.977 1.00 0.00 C ATOM 549 CE LYS A 32 -3.430 7.886 -3.923 1.00 0.00 C ATOM 550 NZ LYS A 32 -3.933 7.510 -5.273 1.00 0.00 N ATOM 0 H LYS A 32 -5.472 11.125 0.103 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.751 10.860 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.340 10.737 -1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.860 10.831 -2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.997 8.835 -1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.575 8.704 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.058 7.341 -2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.310 8.838 -3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.746 8.730 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.860 7.057 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.130 7.269 -5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.565 6.688 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.456 8.310 -5.684 1.00 0.00 H new ATOM 564 N TYR A 33 -4.160 13.601 -1.673 1.00 0.00 N ATOM 565 CA TYR A 33 -3.875 14.927 -2.209 1.00 0.00 C ATOM 566 C TYR A 33 -3.600 15.927 -1.087 1.00 0.00 C ATOM 567 O TYR A 33 -3.214 17.067 -1.343 1.00 0.00 O ATOM 568 CB TYR A 33 -5.045 15.415 -3.065 1.00 0.00 C ATOM 569 CG TYR A 33 -4.923 15.045 -4.527 1.00 0.00 C ATOM 570 CD1 TYR A 33 -3.876 15.529 -5.301 1.00 0.00 C ATOM 571 CD2 TYR A 33 -5.856 14.212 -5.132 1.00 0.00 C ATOM 572 CE1 TYR A 33 -3.762 15.194 -6.636 1.00 0.00 C ATOM 573 CE2 TYR A 33 -5.747 13.871 -6.468 1.00 0.00 C ATOM 574 CZ TYR A 33 -4.699 14.364 -7.214 1.00 0.00 C ATOM 575 OH TYR A 33 -4.588 14.028 -8.544 1.00 0.00 O ATOM 0 H TYR A 33 -5.149 13.418 -1.504 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.982 14.853 -2.830 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.972 14.999 -2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.120 16.499 -2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.139 16.178 -4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.679 13.825 -4.550 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.943 15.580 -7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.480 13.222 -6.924 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.327 13.436 -8.795 1.00 0.00 H new ATOM 585 N GLU A 34 -3.802 15.495 0.158 1.00 0.00 N ATOM 586 CA GLU A 34 -3.575 16.357 1.312 1.00 0.00 C ATOM 587 C GLU A 34 -2.084 16.537 1.579 1.00 0.00 C ATOM 588 O GLU A 34 -1.545 17.632 1.419 1.00 0.00 O ATOM 589 CB GLU A 34 -4.260 15.776 2.550 1.00 0.00 C ATOM 590 CG GLU A 34 -4.334 16.748 3.716 1.00 0.00 C ATOM 591 CD GLU A 34 -5.299 17.890 3.464 1.00 0.00 C ATOM 592 OE1 GLU A 34 -5.038 18.695 2.545 1.00 0.00 O ATOM 593 OE2 GLU A 34 -6.314 17.979 4.184 1.00 0.00 O ATOM 0 H GLU A 34 -4.122 14.555 0.390 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.004 17.335 1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.270 15.464 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.723 14.882 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.640 16.210 4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.341 17.153 3.910 1.00 0.00 H new ATOM 600 N LEU A 35 -1.422 15.459 1.989 1.00 0.00 N ATOM 601 CA LEU A 35 0.006 15.509 2.280 1.00 0.00 C ATOM 602 C LEU A 35 0.824 15.726 1.013 1.00 0.00 C ATOM 603 O LEU A 35 0.328 16.250 0.016 1.00 0.00 O ATOM 604 CB LEU A 35 0.469 14.230 3.003 1.00 0.00 C ATOM 605 CG LEU A 35 0.680 12.961 2.152 1.00 0.00 C ATOM 606 CD1 LEU A 35 0.078 11.762 2.856 1.00 0.00 C ATOM 607 CD2 LEU A 35 0.096 13.075 0.753 1.00 0.00 C ATOM 0 H LEU A 35 -1.850 14.544 2.127 1.00 0.00 H new ATOM 0 HA LEU A 35 0.173 16.359 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.407 14.453 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.264 13.998 3.775 1.00 0.00 H new ATOM 0 HG LEU A 35 1.757 12.836 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.231 10.869 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.560 11.629 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.990 11.924 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.278 12.150 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.978 13.252 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.568 13.906 0.228 1.00 0.00 H new ATOM 619 N SER A 36 2.077 15.304 1.067 1.00 0.00 N ATOM 620 CA SER A 36 2.981 15.426 -0.063 1.00 0.00 C ATOM 621 C SER A 36 3.442 14.049 -0.517 1.00 0.00 C ATOM 622 O SER A 36 3.030 13.031 0.041 1.00 0.00 O ATOM 623 CB SER A 36 4.189 16.287 0.309 1.00 0.00 C ATOM 624 OG SER A 36 5.006 16.538 -0.821 1.00 0.00 O ATOM 0 H SER A 36 2.493 14.870 1.891 1.00 0.00 H new ATOM 0 HA SER A 36 2.448 15.909 -0.882 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.849 17.232 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.774 15.785 1.080 1.00 0.00 H new ATOM 0 HG SER A 36 5.770 17.092 -0.556 1.00 0.00 H new ATOM 630 N ASP A 37 4.302 14.019 -1.522 1.00 0.00 N ATOM 631 CA ASP A 37 4.823 12.763 -2.039 1.00 0.00 C ATOM 632 C ASP A 37 5.569 11.995 -0.950 1.00 0.00 C ATOM 633 O ASP A 37 5.701 10.772 -1.022 1.00 0.00 O ATOM 634 CB ASP A 37 5.753 13.022 -3.225 1.00 0.00 C ATOM 635 CG ASP A 37 6.957 13.861 -2.843 1.00 0.00 C ATOM 636 OD1 ASP A 37 6.862 15.104 -2.918 1.00 0.00 O ATOM 637 OD2 ASP A 37 7.995 13.275 -2.469 1.00 0.00 O ATOM 0 H ASP A 37 4.655 14.850 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 37 3.980 12.158 -2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.092 12.069 -3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.198 13.527 -4.015 1.00 0.00 H new ATOM 642 N ASN A 38 6.076 12.719 0.047 1.00 0.00 N ATOM 643 CA ASN A 38 6.831 12.096 1.129 1.00 0.00 C ATOM 644 C ASN A 38 5.939 11.306 2.085 1.00 0.00 C ATOM 645 O ASN A 38 6.244 10.158 2.407 1.00 0.00 O ATOM 646 CB ASN A 38 7.605 13.162 1.908 1.00 0.00 C ATOM 647 CG ASN A 38 8.839 13.638 1.167 1.00 0.00 C ATOM 648 OD1 ASN A 38 9.955 13.210 1.457 1.00 0.00 O ATOM 649 ND2 ASN A 38 8.641 14.530 0.202 1.00 0.00 N ATOM 0 H ASN A 38 5.978 13.731 0.127 1.00 0.00 H new ATOM 0 HA ASN A 38 7.524 11.390 0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.951 14.012 2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.900 12.758 2.877 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.433 14.887 -0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.697 14.857 -0.004 1.00 0.00 H new ATOM 656 N GLU A 39 4.839 11.903 2.536 1.00 0.00 N ATOM 657 CA GLU A 39 3.935 11.209 3.445 1.00 0.00 C ATOM 658 C GLU A 39 3.033 10.252 2.674 1.00 0.00 C ATOM 659 O GLU A 39 2.612 9.221 3.196 1.00 0.00 O ATOM 660 CB GLU A 39 3.101 12.198 4.270 1.00 0.00 C ATOM 661 CG GLU A 39 3.587 13.637 4.199 1.00 0.00 C ATOM 662 CD GLU A 39 3.051 14.493 5.330 1.00 0.00 C ATOM 663 OE1 GLU A 39 2.620 13.922 6.354 1.00 0.00 O ATOM 664 OE2 GLU A 39 3.061 15.734 5.192 1.00 0.00 O ATOM 0 H GLU A 39 4.556 12.852 2.291 1.00 0.00 H new ATOM 0 HA GLU A 39 4.541 10.629 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.067 12.158 3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.103 11.877 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.677 13.650 4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.285 14.071 3.246 1.00 0.00 H new ATOM 671 N LEU A 40 2.744 10.604 1.423 1.00 0.00 N ATOM 672 CA LEU A 40 1.894 9.781 0.570 1.00 0.00 C ATOM 673 C LEU A 40 2.481 8.389 0.402 1.00 0.00 C ATOM 674 O LEU A 40 1.750 7.400 0.366 1.00 0.00 O ATOM 675 CB LEU A 40 1.713 10.438 -0.793 1.00 0.00 C ATOM 676 CG LEU A 40 0.774 9.703 -1.750 1.00 0.00 C ATOM 677 CD1 LEU A 40 -0.040 10.695 -2.566 1.00 0.00 C ATOM 678 CD2 LEU A 40 1.563 8.778 -2.666 1.00 0.00 C ATOM 0 H LEU A 40 3.087 11.455 0.978 1.00 0.00 H new ATOM 0 HA LEU A 40 0.920 9.690 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.335 11.449 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.690 10.530 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 40 0.086 9.098 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.702 10.154 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.634 11.317 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.632 11.327 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.879 8.263 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.275 9.363 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.102 8.044 -2.066 1.00 0.00 H new ATOM 690 N ALA A 41 3.806 8.310 0.321 1.00 0.00 N ATOM 691 CA ALA A 41 4.470 7.024 0.181 1.00 0.00 C ATOM 692 C ALA A 41 4.049 6.120 1.327 1.00 0.00 C ATOM 693 O ALA A 41 3.873 4.912 1.159 1.00 0.00 O ATOM 694 CB ALA A 41 5.981 7.198 0.159 1.00 0.00 C ATOM 0 H ALA A 41 4.433 9.114 0.350 1.00 0.00 H new ATOM 0 HA ALA A 41 4.177 6.568 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.458 6.224 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.262 7.832 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.307 7.663 1.089 1.00 0.00 H new ATOM 700 N VAL A 42 3.861 6.732 2.491 1.00 0.00 N ATOM 701 CA VAL A 42 3.425 6.014 3.675 1.00 0.00 C ATOM 702 C VAL A 42 1.931 5.720 3.595 1.00 0.00 C ATOM 703 O VAL A 42 1.459 4.716 4.126 1.00 0.00 O ATOM 704 CB VAL A 42 3.711 6.812 4.963 1.00 0.00 C ATOM 705 CG1 VAL A 42 3.551 5.923 6.187 1.00 0.00 C ATOM 706 CG2 VAL A 42 5.104 7.421 4.918 1.00 0.00 C ATOM 0 H VAL A 42 4.006 7.731 2.636 1.00 0.00 H new ATOM 0 HA VAL A 42 3.988 5.081 3.712 1.00 0.00 H new ATOM 0 HB VAL A 42 2.987 7.624 5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.757 6.503 7.087 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.531 5.539 6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.250 5.089 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.287 7.980 5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.845 6.627 4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.180 8.093 4.063 1.00 0.00 H new ATOM 716 N PHE A 43 1.187 6.607 2.926 1.00 0.00 N ATOM 717 CA PHE A 43 -0.253 6.431 2.785 1.00 0.00 C ATOM 718 C PHE A 43 -0.576 5.358 1.750 1.00 0.00 C ATOM 719 O PHE A 43 -1.464 4.530 1.957 1.00 0.00 O ATOM 720 CB PHE A 43 -0.913 7.752 2.391 1.00 0.00 C ATOM 721 CG PHE A 43 -2.348 7.852 2.822 1.00 0.00 C ATOM 722 CD1 PHE A 43 -2.672 8.085 4.150 1.00 0.00 C ATOM 723 CD2 PHE A 43 -3.372 7.707 1.901 1.00 0.00 C ATOM 724 CE1 PHE A 43 -3.991 8.173 4.549 1.00 0.00 C ATOM 725 CE2 PHE A 43 -4.693 7.793 2.295 1.00 0.00 C ATOM 726 CZ PHE A 43 -5.004 8.027 3.620 1.00 0.00 C ATOM 0 H PHE A 43 1.558 7.445 2.479 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.648 6.108 3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.351 8.576 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.857 7.869 1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.884 8.199 4.880 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.135 7.525 0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.231 8.356 5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.482 7.677 1.567 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.036 8.096 3.930 1.00 0.00 H new ATOM 736 N TYR A 44 0.147 5.378 0.636 1.00 0.00 N ATOM 737 CA TYR A 44 -0.067 4.407 -0.432 1.00 0.00 C ATOM 738 C TYR A 44 0.299 3.000 0.029 1.00 0.00 C ATOM 739 O TYR A 44 -0.463 2.054 -0.168 1.00 0.00 O ATOM 740 CB TYR A 44 0.760 4.783 -1.663 1.00 0.00 C ATOM 741 CG TYR A 44 0.119 4.373 -2.971 1.00 0.00 C ATOM 742 CD1 TYR A 44 0.132 3.048 -3.386 1.00 0.00 C ATOM 743 CD2 TYR A 44 -0.497 5.312 -3.788 1.00 0.00 C ATOM 744 CE1 TYR A 44 -0.452 2.670 -4.581 1.00 0.00 C ATOM 745 CE2 TYR A 44 -1.083 4.942 -4.984 1.00 0.00 C ATOM 746 CZ TYR A 44 -1.058 3.620 -5.376 1.00 0.00 C ATOM 747 OH TYR A 44 -1.641 3.248 -6.565 1.00 0.00 O ATOM 0 H TYR A 44 0.886 6.055 0.448 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.125 4.420 -0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.919 5.861 -1.668 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.742 4.316 -1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.606 2.301 -2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.519 6.348 -3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.434 1.635 -4.890 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.558 5.684 -5.608 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.024 4.037 -7.003 1.00 0.00 H new ATOM 757 N SER A 45 1.470 2.869 0.644 1.00 0.00 N ATOM 758 CA SER A 45 1.936 1.577 1.131 1.00 0.00 C ATOM 759 C SER A 45 1.076 1.088 2.292 1.00 0.00 C ATOM 760 O SER A 45 0.664 -0.072 2.327 1.00 0.00 O ATOM 761 CB SER A 45 3.398 1.672 1.571 1.00 0.00 C ATOM 762 OG SER A 45 3.511 2.304 2.834 1.00 0.00 O ATOM 0 H SER A 45 2.113 3.642 0.817 1.00 0.00 H new ATOM 0 HA SER A 45 1.854 0.859 0.315 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.832 0.673 1.621 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.969 2.231 0.829 1.00 0.00 H new ATOM 0 HG SER A 45 3.605 3.271 2.708 1.00 0.00 H new ATOM 768 N ALA A 46 0.808 1.979 3.240 1.00 0.00 N ATOM 769 CA ALA A 46 -0.003 1.638 4.403 1.00 0.00 C ATOM 770 C ALA A 46 -1.441 1.327 3.999 1.00 0.00 C ATOM 771 O ALA A 46 -2.091 0.467 4.595 1.00 0.00 O ATOM 772 CB ALA A 46 0.028 2.771 5.417 1.00 0.00 C ATOM 0 H ALA A 46 1.141 2.943 3.226 1.00 0.00 H new ATOM 0 HA ALA A 46 0.420 0.743 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.581 2.503 6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.055 2.944 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.368 3.678 4.961 1.00 0.00 H new ATOM 778 N ALA A 47 -1.931 2.033 2.987 1.00 0.00 N ATOM 779 CA ALA A 47 -3.293 1.834 2.506 1.00 0.00 C ATOM 780 C ALA A 47 -3.417 0.542 1.703 1.00 0.00 C ATOM 781 O ALA A 47 -4.501 -0.030 1.594 1.00 0.00 O ATOM 782 CB ALA A 47 -3.734 3.022 1.664 1.00 0.00 C ATOM 0 H ALA A 47 -1.406 2.748 2.484 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.946 1.752 3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.753 2.860 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.699 3.929 2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.067 3.129 0.809 1.00 0.00 H new ATOM 788 N ASP A 48 -2.302 0.088 1.140 1.00 0.00 N ATOM 789 CA ASP A 48 -2.292 -1.135 0.346 1.00 0.00 C ATOM 790 C ASP A 48 -2.410 -2.368 1.237 1.00 0.00 C ATOM 791 O ASP A 48 -3.248 -3.237 1.003 1.00 0.00 O ATOM 792 CB ASP A 48 -1.014 -1.212 -0.493 1.00 0.00 C ATOM 793 CG ASP A 48 -1.298 -1.240 -1.982 1.00 0.00 C ATOM 794 OD1 ASP A 48 -1.817 -0.233 -2.507 1.00 0.00 O ATOM 795 OD2 ASP A 48 -1.001 -2.270 -2.623 1.00 0.00 O ATOM 0 H ASP A 48 -1.395 0.548 1.219 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.154 -1.112 -0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.380 -0.355 -0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.455 -2.106 -0.216 1.00 0.00 H new ATOM 800 N HIS A 49 -1.563 -2.439 2.259 1.00 0.00 N ATOM 801 CA HIS A 49 -1.571 -3.567 3.182 1.00 0.00 C ATOM 802 C HIS A 49 -2.955 -3.764 3.796 1.00 0.00 C ATOM 803 O HIS A 49 -3.503 -4.864 3.767 1.00 0.00 O ATOM 804 CB HIS A 49 -0.537 -3.357 4.288 1.00 0.00 C ATOM 805 CG HIS A 49 0.803 -3.950 3.978 1.00 0.00 C ATOM 806 ND1 HIS A 49 0.963 -5.117 3.260 1.00 0.00 N ATOM 807 CD2 HIS A 49 2.053 -3.531 4.293 1.00 0.00 C ATOM 808 CE1 HIS A 49 2.251 -5.390 3.148 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.933 -4.443 3.766 1.00 0.00 N ATOM 0 H HIS A 49 -0.862 -1.728 2.468 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.314 -4.463 2.618 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.419 -2.288 4.465 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.913 -3.794 5.213 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.309 -2.644 4.854 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.674 -6.243 2.638 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.949 -4.397 3.840 1.00 0.00 H new ATOM 818 N ARG A 50 -3.513 -2.691 4.351 1.00 0.00 N ATOM 819 CA ARG A 50 -4.833 -2.746 4.974 1.00 0.00 C ATOM 820 C ARG A 50 -5.878 -3.294 4.006 1.00 0.00 C ATOM 821 O ARG A 50 -6.743 -4.081 4.391 1.00 0.00 O ATOM 822 CB ARG A 50 -5.250 -1.356 5.458 1.00 0.00 C ATOM 823 CG ARG A 50 -5.418 -0.346 4.334 1.00 0.00 C ATOM 824 CD ARG A 50 -5.851 1.012 4.864 1.00 0.00 C ATOM 825 NE ARG A 50 -7.219 0.991 5.378 1.00 0.00 N ATOM 826 CZ ARG A 50 -7.537 0.683 6.634 1.00 0.00 C ATOM 827 NH1 ARG A 50 -6.594 0.357 7.509 1.00 0.00 N ATOM 828 NH2 ARG A 50 -8.806 0.701 7.017 1.00 0.00 N ATOM 0 H ARG A 50 -3.071 -1.772 4.382 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.771 -3.420 5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.189 -1.437 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.503 -0.985 6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.478 -0.243 3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.158 -0.712 3.622 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.171 1.325 5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.775 1.753 4.068 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.976 1.226 4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.615 0.341 7.222 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.848 0.123 8.469 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.536 0.950 6.350 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.052 0.465 7.978 1.00 0.00 H new ATOM 842 N LEU A 51 -5.793 -2.873 2.749 1.00 0.00 N ATOM 843 CA LEU A 51 -6.732 -3.322 1.728 1.00 0.00 C ATOM 844 C LEU A 51 -6.444 -4.764 1.321 1.00 0.00 C ATOM 845 O LEU A 51 -7.349 -5.595 1.250 1.00 0.00 O ATOM 846 CB LEU A 51 -6.657 -2.406 0.505 1.00 0.00 C ATOM 847 CG LEU A 51 -8.011 -1.932 -0.031 1.00 0.00 C ATOM 848 CD1 LEU A 51 -8.191 -0.440 0.211 1.00 0.00 C ATOM 849 CD2 LEU A 51 -8.142 -2.256 -1.512 1.00 0.00 C ATOM 0 H LEU A 51 -5.084 -2.222 2.413 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.738 -3.278 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.058 -1.532 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.131 -2.931 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.798 -2.462 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.159 -0.123 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.144 -0.237 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.399 0.109 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.110 -1.912 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.348 -1.755 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.062 -3.333 -1.657 1.00 0.00 H new ATOM 861 N ALA A 52 -5.174 -5.052 1.052 1.00 0.00 N ATOM 862 CA ALA A 52 -4.756 -6.389 0.649 1.00 0.00 C ATOM 863 C ALA A 52 -5.139 -7.432 1.696 1.00 0.00 C ATOM 864 O ALA A 52 -5.719 -8.468 1.371 1.00 0.00 O ATOM 865 CB ALA A 52 -3.256 -6.410 0.404 1.00 0.00 C ATOM 0 H ALA A 52 -4.414 -4.374 1.106 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.274 -6.643 -0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.950 -7.412 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.006 -5.702 -0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.734 -6.131 1.319 1.00 0.00 H new ATOM 871 N GLU A 53 -4.806 -7.151 2.951 1.00 0.00 N ATOM 872 CA GLU A 53 -5.111 -8.064 4.048 1.00 0.00 C ATOM 873 C GLU A 53 -6.618 -8.211 4.240 1.00 0.00 C ATOM 874 O GLU A 53 -7.096 -9.254 4.688 1.00 0.00 O ATOM 875 CB GLU A 53 -4.466 -7.562 5.339 1.00 0.00 C ATOM 876 CG GLU A 53 -4.890 -6.154 5.723 1.00 0.00 C ATOM 877 CD GLU A 53 -5.995 -6.137 6.761 1.00 0.00 C ATOM 878 OE1 GLU A 53 -7.041 -6.775 6.523 1.00 0.00 O ATOM 879 OE2 GLU A 53 -5.815 -5.482 7.809 1.00 0.00 O ATOM 0 H GLU A 53 -4.324 -6.298 3.235 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.704 -9.044 3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.720 -8.243 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.382 -7.589 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.027 -5.612 6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.227 -5.625 4.832 1.00 0.00 H new ATOM 886 N LEU A 54 -7.360 -7.162 3.904 1.00 0.00 N ATOM 887 CA LEU A 54 -8.812 -7.176 4.042 1.00 0.00 C ATOM 888 C LEU A 54 -9.445 -8.191 3.094 1.00 0.00 C ATOM 889 O LEU A 54 -10.512 -8.736 3.376 1.00 0.00 O ATOM 890 CB LEU A 54 -9.383 -5.781 3.774 1.00 0.00 C ATOM 891 CG LEU A 54 -10.108 -5.140 4.959 1.00 0.00 C ATOM 892 CD1 LEU A 54 -9.123 -4.388 5.842 1.00 0.00 C ATOM 893 CD2 LEU A 54 -11.208 -4.208 4.472 1.00 0.00 C ATOM 0 H LEU A 54 -6.980 -6.291 3.534 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.050 -7.470 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.569 -5.124 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.075 -5.843 2.935 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.567 -5.932 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.656 -3.938 6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.371 -5.081 6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.636 -3.606 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.712 -3.761 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.772 -3.421 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.929 -4.773 3.881 1.00 0.00 H new ATOM 905 N THR A 55 -8.786 -8.434 1.966 1.00 0.00 N ATOM 906 CA THR A 55 -9.290 -9.377 0.973 1.00 0.00 C ATOM 907 C THR A 55 -8.980 -10.820 1.364 1.00 0.00 C ATOM 908 O THR A 55 -9.799 -11.716 1.162 1.00 0.00 O ATOM 909 CB THR A 55 -8.690 -9.071 -0.400 1.00 0.00 C ATOM 910 OG1 THR A 55 -8.953 -7.730 -0.773 1.00 0.00 O ATOM 911 CG2 THR A 55 -9.220 -9.966 -1.498 1.00 0.00 C ATOM 0 H THR A 55 -7.902 -7.991 1.716 1.00 0.00 H new ATOM 0 HA THR A 55 -10.373 -9.263 0.928 1.00 0.00 H new ATOM 0 HB THR A 55 -7.620 -9.249 -0.295 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.161 -7.180 -0.598 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.753 -9.695 -2.445 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.989 -11.005 -1.264 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.300 -9.843 -1.578 1.00 0.00 H new ATOM 919 N MET A 56 -7.791 -11.042 1.917 1.00 0.00 N ATOM 920 CA MET A 56 -7.378 -12.383 2.323 1.00 0.00 C ATOM 921 C MET A 56 -7.559 -12.602 3.826 1.00 0.00 C ATOM 922 O MET A 56 -7.188 -13.650 4.354 1.00 0.00 O ATOM 923 CB MET A 56 -5.920 -12.623 1.938 1.00 0.00 C ATOM 924 CG MET A 56 -5.610 -14.074 1.606 1.00 0.00 C ATOM 925 SD MET A 56 -5.653 -14.405 -0.165 1.00 0.00 S ATOM 926 CE MET A 56 -3.967 -14.010 -0.623 1.00 0.00 C ATOM 0 H MET A 56 -7.099 -10.314 2.094 1.00 0.00 H new ATOM 0 HA MET A 56 -8.017 -13.095 1.801 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.673 -12.001 1.078 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.278 -12.301 2.758 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.625 -14.329 1.996 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.329 -14.720 2.110 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.722 -14.499 -1.566 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.864 -12.931 -0.736 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.287 -14.360 0.154 1.00 0.00 H new ATOM 936 N ASN A 57 -8.137 -11.615 4.508 1.00 0.00 N ATOM 937 CA ASN A 57 -8.375 -11.704 5.949 1.00 0.00 C ATOM 938 C ASN A 57 -7.097 -11.462 6.751 1.00 0.00 C ATOM 939 O ASN A 57 -6.345 -12.393 7.041 1.00 0.00 O ATOM 940 CB ASN A 57 -8.969 -13.068 6.316 1.00 0.00 C ATOM 941 CG ASN A 57 -9.979 -12.975 7.443 1.00 0.00 C ATOM 942 OD1 ASN A 57 -11.004 -12.305 7.319 1.00 0.00 O ATOM 943 ND2 ASN A 57 -9.693 -13.648 8.552 1.00 0.00 N ATOM 0 H ASN A 57 -8.450 -10.741 4.085 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.088 -10.921 6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.448 -13.501 5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.165 -13.745 6.607 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.335 -13.622 9.344 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.831 -14.191 8.611 1.00 0.00 H new ATOM 950 N LYS A 58 -6.873 -10.201 7.120 1.00 0.00 N ATOM 951 CA LYS A 58 -5.705 -9.805 7.909 1.00 0.00 C ATOM 952 C LYS A 58 -4.431 -10.529 7.471 1.00 0.00 C ATOM 953 O LYS A 58 -3.697 -11.066 8.302 1.00 0.00 O ATOM 954 CB LYS A 58 -5.959 -10.066 9.397 1.00 0.00 C ATOM 955 CG LYS A 58 -6.920 -9.077 10.049 1.00 0.00 C ATOM 956 CD LYS A 58 -6.633 -7.636 9.642 1.00 0.00 C ATOM 957 CE LYS A 58 -5.150 -7.301 9.737 1.00 0.00 C ATOM 958 NZ LYS A 58 -4.916 -6.017 10.454 1.00 0.00 N ATOM 0 H LYS A 58 -7.493 -9.427 6.882 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.553 -8.739 7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.357 -11.074 9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.007 -10.035 9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.943 -9.333 9.774 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.850 -9.167 11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.977 -7.472 8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.199 -6.959 10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.628 -8.106 10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.727 -7.239 8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.925 -5.969 10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.116 -5.221 9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.543 -5.963 11.282 1.00 0.00 H new ATOM 972 N LEU A 59 -4.164 -10.537 6.170 1.00 0.00 N ATOM 973 CA LEU A 59 -2.970 -11.194 5.645 1.00 0.00 C ATOM 974 C LEU A 59 -2.073 -10.201 4.911 1.00 0.00 C ATOM 975 O LEU A 59 -2.475 -9.615 3.906 1.00 0.00 O ATOM 976 CB LEU A 59 -3.360 -12.336 4.705 1.00 0.00 C ATOM 977 CG LEU A 59 -2.192 -13.064 4.031 1.00 0.00 C ATOM 978 CD1 LEU A 59 -1.719 -12.294 2.808 1.00 0.00 C ATOM 979 CD2 LEU A 59 -1.045 -13.267 5.012 1.00 0.00 C ATOM 0 H LEU A 59 -4.753 -10.099 5.462 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.414 -11.600 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.943 -13.065 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.013 -11.937 3.929 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.541 -14.045 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.889 -12.825 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.539 -12.204 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.390 -11.300 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.227 -13.786 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.696 -12.298 5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.390 -13.863 5.857 1.00 0.00 H new ATOM 991 N TYR A 60 -0.853 -10.022 5.412 1.00 0.00 N ATOM 992 CA TYR A 60 0.099 -9.105 4.793 1.00 0.00 C ATOM 993 C TYR A 60 1.465 -9.758 4.642 1.00 0.00 C ATOM 994 O TYR A 60 1.769 -10.750 5.304 1.00 0.00 O ATOM 995 CB TYR A 60 0.224 -7.801 5.591 1.00 0.00 C ATOM 996 CG TYR A 60 -0.284 -7.891 7.012 1.00 0.00 C ATOM 997 CD1 TYR A 60 -1.625 -8.135 7.266 1.00 0.00 C ATOM 998 CD2 TYR A 60 0.573 -7.733 8.092 1.00 0.00 C ATOM 999 CE1 TYR A 60 -2.102 -8.218 8.560 1.00 0.00 C ATOM 1000 CE2 TYR A 60 0.106 -7.815 9.390 1.00 0.00 C ATOM 1001 CZ TYR A 60 -1.232 -8.058 9.619 1.00 0.00 C ATOM 1002 OH TYR A 60 -1.703 -8.140 10.910 1.00 0.00 O ATOM 0 H TYR A 60 -0.502 -10.499 6.243 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.284 -8.862 3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.271 -7.499 5.610 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.324 -7.016 5.070 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.308 -8.262 6.439 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.621 -7.543 7.915 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.150 -8.407 8.742 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.785 -7.689 10.220 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.962 -8.006 11.538 1.00 0.00 H new ATOM 1012 N ASP A 61 2.282 -9.199 3.754 1.00 0.00 N ATOM 1013 CA ASP A 61 3.618 -9.726 3.493 1.00 0.00 C ATOM 1014 C ASP A 61 3.546 -11.005 2.661 1.00 0.00 C ATOM 1015 O ASP A 61 4.565 -11.651 2.414 1.00 0.00 O ATOM 1016 CB ASP A 61 4.357 -9.997 4.807 1.00 0.00 C ATOM 1017 CG ASP A 61 5.829 -9.645 4.725 1.00 0.00 C ATOM 1018 OD1 ASP A 61 6.191 -8.800 3.879 1.00 0.00 O ATOM 1019 OD2 ASP A 61 6.621 -10.215 5.505 1.00 0.00 O ATOM 0 H ASP A 61 2.041 -8.377 3.200 1.00 0.00 H new ATOM 0 HA ASP A 61 4.170 -8.975 2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.893 -9.421 5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.252 -11.050 5.069 1.00 0.00 H new ATOM 1024 N LYS A 62 2.339 -11.370 2.230 1.00 0.00 N ATOM 1025 CA LYS A 62 2.146 -12.572 1.429 1.00 0.00 C ATOM 1026 C LYS A 62 1.018 -12.398 0.409 1.00 0.00 C ATOM 1027 O LYS A 62 0.633 -13.357 -0.260 1.00 0.00 O ATOM 1028 CB LYS A 62 1.847 -13.767 2.337 1.00 0.00 C ATOM 1029 CG LYS A 62 3.048 -14.671 2.569 1.00 0.00 C ATOM 1030 CD LYS A 62 3.225 -14.999 4.043 1.00 0.00 C ATOM 1031 CE LYS A 62 4.188 -14.035 4.718 1.00 0.00 C ATOM 1032 NZ LYS A 62 5.507 -14.670 4.994 1.00 0.00 N ATOM 0 H LYS A 62 1.483 -10.850 2.423 1.00 0.00 H new ATOM 0 HA LYS A 62 3.069 -12.754 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.487 -13.401 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.041 -14.354 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.924 -15.594 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.948 -14.185 2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.258 -14.959 4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.596 -16.018 4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.332 -13.161 4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.752 -13.682 5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.135 -13.980 5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.374 -15.489 5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.935 -14.985 4.100 1.00 0.00 H new ATOM 1046 N ILE A 63 0.491 -11.179 0.282 1.00 0.00 N ATOM 1047 CA ILE A 63 -0.584 -10.916 -0.668 1.00 0.00 C ATOM 1048 C ILE A 63 -0.099 -11.157 -2.099 1.00 0.00 C ATOM 1049 O ILE A 63 0.725 -10.402 -2.617 1.00 0.00 O ATOM 1050 CB ILE A 63 -1.119 -9.468 -0.541 1.00 0.00 C ATOM 1051 CG1 ILE A 63 -1.729 -9.242 0.850 1.00 0.00 C ATOM 1052 CG2 ILE A 63 -2.150 -9.175 -1.630 1.00 0.00 C ATOM 1053 CD1 ILE A 63 -0.977 -8.231 1.692 1.00 0.00 C ATOM 0 H ILE A 63 0.790 -10.366 0.821 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.398 -11.602 -0.436 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.282 -8.782 -0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.760 -8.909 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.759 -10.193 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.513 -8.153 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.688 -9.295 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.986 -9.868 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.468 -8.126 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.048 -8.571 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.969 -7.267 1.183 1.00 0.00 H new ATOM 1065 N PRO A 64 -0.602 -12.216 -2.761 1.00 0.00 N ATOM 1066 CA PRO A 64 -0.208 -12.547 -4.135 1.00 0.00 C ATOM 1067 C PRO A 64 -0.580 -11.447 -5.123 1.00 0.00 C ATOM 1068 O PRO A 64 -1.123 -10.411 -4.740 1.00 0.00 O ATOM 1069 CB PRO A 64 -0.992 -13.829 -4.447 1.00 0.00 C ATOM 1070 CG PRO A 64 -1.402 -14.368 -3.120 1.00 0.00 C ATOM 1071 CD PRO A 64 -1.585 -13.173 -2.230 1.00 0.00 C ATOM 0 HA PRO A 64 0.872 -12.665 -4.225 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.860 -13.618 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.375 -14.546 -4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.326 -14.941 -3.200 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.643 -15.041 -2.720 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.601 -12.781 -2.283 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.391 -13.414 -1.185 1.00 0.00 H new ATOM 1079 N SER A 65 -0.287 -11.681 -6.397 1.00 0.00 N ATOM 1080 CA SER A 65 -0.592 -10.712 -7.441 1.00 0.00 C ATOM 1081 C SER A 65 -2.051 -10.823 -7.871 1.00 0.00 C ATOM 1082 O SER A 65 -2.750 -9.818 -7.994 1.00 0.00 O ATOM 1083 CB SER A 65 0.325 -10.924 -8.648 1.00 0.00 C ATOM 1084 OG SER A 65 1.458 -10.074 -8.582 1.00 0.00 O ATOM 0 H SER A 65 0.162 -12.534 -6.731 1.00 0.00 H new ATOM 0 HA SER A 65 -0.423 -9.713 -7.038 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.648 -11.964 -8.685 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.227 -10.729 -9.567 1.00 0.00 H new ATOM 0 HG SER A 65 2.029 -10.229 -9.363 1.00 0.00 H new ATOM 1090 N SER A 66 -2.505 -12.054 -8.097 1.00 0.00 N ATOM 1091 CA SER A 66 -3.883 -12.300 -8.514 1.00 0.00 C ATOM 1092 C SER A 66 -4.872 -11.643 -7.555 1.00 0.00 C ATOM 1093 O SER A 66 -5.823 -10.988 -7.982 1.00 0.00 O ATOM 1094 CB SER A 66 -4.152 -13.803 -8.592 1.00 0.00 C ATOM 1095 OG SER A 66 -2.968 -14.518 -8.903 1.00 0.00 O ATOM 0 H SER A 66 -1.938 -12.896 -7.998 1.00 0.00 H new ATOM 0 HA SER A 66 -4.020 -11.860 -9.502 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.553 -14.154 -7.641 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.910 -14.001 -9.350 1.00 0.00 H new ATOM 0 HG SER A 66 -3.166 -15.477 -8.945 1.00 0.00 H new ATOM 1101 N VAL A 67 -4.641 -11.821 -6.259 1.00 0.00 N ATOM 1102 CA VAL A 67 -5.513 -11.244 -5.242 1.00 0.00 C ATOM 1103 C VAL A 67 -5.558 -9.725 -5.362 1.00 0.00 C ATOM 1104 O VAL A 67 -6.630 -9.133 -5.491 1.00 0.00 O ATOM 1105 CB VAL A 67 -5.050 -11.624 -3.823 1.00 0.00 C ATOM 1106 CG1 VAL A 67 -6.072 -11.175 -2.789 1.00 0.00 C ATOM 1107 CG2 VAL A 67 -4.803 -13.121 -3.727 1.00 0.00 C ATOM 0 H VAL A 67 -3.858 -12.360 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.510 -11.651 -5.409 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.111 -11.110 -3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.728 -11.452 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.193 -10.093 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.029 -11.658 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.477 -13.372 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.724 -13.657 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.031 -13.409 -4.440 1.00 0.00 H new ATOM 1117 N TRP A 68 -4.386 -9.100 -5.326 1.00 0.00 N ATOM 1118 CA TRP A 68 -4.290 -7.648 -5.438 1.00 0.00 C ATOM 1119 C TRP A 68 -4.877 -7.172 -6.764 1.00 0.00 C ATOM 1120 O TRP A 68 -5.625 -6.195 -6.813 1.00 0.00 O ATOM 1121 CB TRP A 68 -2.827 -7.208 -5.326 1.00 0.00 C ATOM 1122 CG TRP A 68 -2.569 -6.249 -4.205 1.00 0.00 C ATOM 1123 CD1 TRP A 68 -1.445 -6.180 -3.435 1.00 0.00 C ATOM 1124 CD2 TRP A 68 -3.448 -5.222 -3.729 1.00 0.00 C ATOM 1125 NE1 TRP A 68 -1.569 -5.172 -2.511 1.00 0.00 N ATOM 1126 CE2 TRP A 68 -2.788 -4.570 -2.669 1.00 0.00 C ATOM 1127 CE3 TRP A 68 -4.726 -4.788 -4.093 1.00 0.00 C ATOM 1128 CZ2 TRP A 68 -3.364 -3.510 -1.975 1.00 0.00 C ATOM 1129 CZ3 TRP A 68 -5.295 -3.736 -3.403 1.00 0.00 C ATOM 1130 CH2 TRP A 68 -4.615 -3.106 -2.353 1.00 0.00 C ATOM 0 H TRP A 68 -3.490 -9.575 -5.220 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.861 -7.200 -4.625 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.201 -8.090 -5.189 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.523 -6.745 -6.265 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -0.584 -6.824 -3.537 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.866 -4.914 -1.819 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -5.259 -5.268 -4.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -2.841 -3.023 -1.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -6.282 -3.393 -3.678 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -5.087 -2.286 -1.832 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.533 -7.875 -7.837 1.00 0.00 N ATOM 1142 CA LYS A 69 -5.025 -7.528 -9.168 1.00 0.00 C ATOM 1143 C LYS A 69 -6.550 -7.519 -9.202 1.00 0.00 C ATOM 1144 O LYS A 69 -7.159 -6.737 -9.931 1.00 0.00 O ATOM 1145 CB LYS A 69 -4.488 -8.514 -10.208 1.00 0.00 C ATOM 1146 CG LYS A 69 -4.201 -7.878 -11.559 1.00 0.00 C ATOM 1147 CD LYS A 69 -2.710 -7.673 -11.775 1.00 0.00 C ATOM 1148 CE LYS A 69 -2.364 -7.602 -13.253 1.00 0.00 C ATOM 1149 NZ LYS A 69 -2.468 -8.933 -13.913 1.00 0.00 N ATOM 0 H LYS A 69 -3.917 -8.687 -7.813 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.668 -6.526 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.573 -8.968 -9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.211 -9.319 -10.341 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.601 -8.510 -12.352 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.714 -6.919 -11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.393 -6.754 -11.282 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.159 -8.490 -11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.032 -6.898 -13.749 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.351 -7.217 -13.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.961 -8.911 -14.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.047 -9.659 -13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.469 -9.160 -14.081 1.00 0.00 H new ATOM 1163 N PHE A 70 -7.161 -8.396 -8.411 1.00 0.00 N ATOM 1164 CA PHE A 70 -8.615 -8.488 -8.354 1.00 0.00 C ATOM 1165 C PHE A 70 -9.213 -7.261 -7.672 1.00 0.00 C ATOM 1166 O PHE A 70 -10.134 -6.634 -8.197 1.00 0.00 O ATOM 1167 CB PHE A 70 -9.037 -9.755 -7.608 1.00 0.00 C ATOM 1168 CG PHE A 70 -9.084 -10.978 -8.480 1.00 0.00 C ATOM 1169 CD1 PHE A 70 -9.838 -10.987 -9.643 1.00 0.00 C ATOM 1170 CD2 PHE A 70 -8.374 -12.116 -8.138 1.00 0.00 C ATOM 1171 CE1 PHE A 70 -9.883 -12.108 -10.448 1.00 0.00 C ATOM 1172 CE2 PHE A 70 -8.415 -13.242 -8.939 1.00 0.00 C ATOM 1173 CZ PHE A 70 -9.170 -13.239 -10.095 1.00 0.00 C ATOM 0 H PHE A 70 -6.672 -9.052 -7.802 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.991 -8.532 -9.376 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.343 -9.931 -6.786 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -10.021 -9.596 -7.166 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -10.397 -10.106 -9.923 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.781 -12.124 -7.235 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -10.474 -12.101 -11.352 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.857 -14.124 -8.661 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.204 -14.118 -10.722 1.00 0.00 H new ATOM 1183 N ILE A 71 -8.685 -6.924 -6.500 1.00 0.00 N ATOM 1184 CA ILE A 71 -9.168 -5.772 -5.748 1.00 0.00 C ATOM 1185 C ILE A 71 -8.352 -4.522 -6.068 1.00 0.00 C ATOM 1186 O ILE A 71 -7.144 -4.483 -5.839 1.00 0.00 O ATOM 1187 CB ILE A 71 -9.125 -6.030 -4.228 1.00 0.00 C ATOM 1188 CG1 ILE A 71 -9.788 -4.877 -3.472 1.00 0.00 C ATOM 1189 CG2 ILE A 71 -7.691 -6.225 -3.756 1.00 0.00 C ATOM 1190 CD1 ILE A 71 -10.254 -5.253 -2.082 1.00 0.00 C ATOM 0 H ILE A 71 -7.923 -7.432 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.203 -5.611 -6.049 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.680 -6.945 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.083 -4.049 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.641 -4.519 -4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.683 -6.406 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.252 -7.079 -4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.110 -5.330 -3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.714 -4.387 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.983 -6.060 -2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -9.401 -5.583 -1.489 1.00 0.00 H new