USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 305 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 71:sc= 0.2 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -57:sc= 1.17 USER MOD Single : A 28 TYR OH : rot -15:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.038) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -130:sc= -1.24 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N VAL A 6 -2.296 -13.111 -0.409 1.00 0.00 N ATOM 76 CA VAL A 6 -1.273 -12.145 0.056 1.00 0.00 C ATOM 77 C VAL A 6 -1.426 -10.799 -0.654 1.00 0.00 C ATOM 78 O VAL A 6 -1.521 -9.756 -0.011 1.00 0.00 O ATOM 79 CB VAL A 6 0.159 -12.678 -0.176 1.00 0.00 C ATOM 80 CG1 VAL A 6 1.256 -11.612 -0.008 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.458 -13.822 0.800 1.00 0.00 C ATOM 0 HA VAL A 6 -1.430 -12.010 1.126 1.00 0.00 H new ATOM 0 HB VAL A 6 0.181 -13.015 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.232 -12.063 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.092 -10.806 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.222 -11.211 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.469 -14.191 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.373 -13.458 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.255 -14.631 0.642 1.00 0.00 H new ATOM 91 N LYS A 7 -1.470 -10.818 -1.986 1.00 0.00 N ATOM 92 CA LYS A 7 -1.587 -9.614 -2.803 1.00 0.00 C ATOM 93 C LYS A 7 -2.890 -8.858 -2.479 1.00 0.00 C ATOM 94 O LYS A 7 -2.841 -7.665 -2.215 1.00 0.00 O ATOM 95 CB LYS A 7 -1.452 -10.017 -4.286 1.00 0.00 C ATOM 96 CG LYS A 7 -0.837 -8.915 -5.164 1.00 0.00 C ATOM 97 CD LYS A 7 -0.337 -9.476 -6.507 1.00 0.00 C ATOM 98 CE LYS A 7 1.035 -10.146 -6.326 1.00 0.00 C ATOM 99 NZ LYS A 7 1.283 -11.218 -7.311 1.00 0.00 N ATOM 0 H LYS A 7 -1.425 -11.679 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.786 -8.910 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.836 -10.914 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.437 -10.275 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.579 -8.138 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.008 -8.446 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.054 -10.199 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.263 -8.673 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.817 -9.391 -6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.102 -10.561 -5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.221 -11.634 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.555 -11.954 -7.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.248 -10.822 -8.272 1.00 0.00 H new ATOM 113 N ASP A 8 -4.022 -9.565 -2.392 1.00 0.00 N ATOM 114 CA ASP A 8 -5.347 -9.039 -2.021 1.00 0.00 C ATOM 115 C ASP A 8 -5.345 -8.369 -0.634 1.00 0.00 C ATOM 116 O ASP A 8 -5.826 -7.248 -0.497 1.00 0.00 O ATOM 117 CB ASP A 8 -6.409 -10.155 -2.107 1.00 0.00 C ATOM 118 CG ASP A 8 -7.822 -9.633 -2.451 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.390 -8.832 -1.672 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.384 -10.038 -3.498 1.00 0.00 O ATOM 0 H ASP A 8 -4.044 -10.566 -2.587 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.604 -8.259 -2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.104 -10.879 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.447 -10.684 -1.155 1.00 0.00 H new ATOM 125 N MET A 9 -4.738 -9.000 0.378 1.00 0.00 N ATOM 126 CA MET A 9 -4.558 -8.408 1.716 1.00 0.00 C ATOM 127 C MET A 9 -3.769 -7.085 1.689 1.00 0.00 C ATOM 128 O MET A 9 -4.191 -6.103 2.302 1.00 0.00 O ATOM 129 CB MET A 9 -3.850 -9.402 2.653 1.00 0.00 C ATOM 130 CG MET A 9 -3.859 -8.938 4.121 1.00 0.00 C ATOM 131 SD MET A 9 -2.518 -9.599 5.154 1.00 0.00 S ATOM 132 CE MET A 9 -2.953 -11.357 5.221 1.00 0.00 C ATOM 0 H MET A 9 -4.354 -9.941 0.295 1.00 0.00 H new ATOM 0 HA MET A 9 -5.558 -8.186 2.088 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.336 -10.375 2.580 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.819 -9.535 2.324 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.807 -7.849 4.141 1.00 0.00 H new ATOM 0 HG3 MET A 9 -4.812 -9.220 4.568 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.218 -11.891 5.823 1.00 0.00 H new ATOM 0 HE2 MET A 9 -3.940 -11.471 5.669 1.00 0.00 H new ATOM 0 HE3 MET A 9 -2.963 -11.768 4.211 1.00 0.00 H new ATOM 142 N GLU A 10 -2.647 -7.022 0.965 1.00 0.00 N ATOM 143 CA GLU A 10 -1.848 -5.785 0.846 1.00 0.00 C ATOM 144 C GLU A 10 -2.595 -4.715 0.044 1.00 0.00 C ATOM 145 O GLU A 10 -2.687 -3.574 0.474 1.00 0.00 O ATOM 146 CB GLU A 10 -0.477 -6.053 0.221 1.00 0.00 C ATOM 147 CG GLU A 10 0.407 -7.055 0.971 1.00 0.00 C ATOM 148 CD GLU A 10 0.728 -6.605 2.389 1.00 0.00 C ATOM 149 OE1 GLU A 10 1.625 -5.749 2.547 1.00 0.00 O ATOM 150 OE2 GLU A 10 0.123 -7.142 3.344 1.00 0.00 O ATOM 0 H GLU A 10 -2.265 -7.814 0.448 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.690 -5.412 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.626 -6.417 -0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.060 -5.107 0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.095 -8.022 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.336 -7.198 0.420 1.00 0.00 H new ATOM 157 N ILE A 11 -3.230 -5.102 -1.060 1.00 0.00 N ATOM 158 CA ILE A 11 -4.159 -4.258 -1.838 1.00 0.00 C ATOM 159 C ILE A 11 -5.289 -3.653 -0.955 1.00 0.00 C ATOM 160 O ILE A 11 -5.647 -2.478 -1.082 1.00 0.00 O ATOM 161 CB ILE A 11 -4.712 -5.019 -3.064 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.583 -5.318 -4.078 1.00 0.00 C ATOM 163 CG2 ILE A 11 -5.802 -4.185 -3.766 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.940 -6.444 -5.061 1.00 0.00 C ATOM 0 H ILE A 11 -3.115 -6.035 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.588 -3.410 -2.216 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.137 -5.958 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.357 -4.411 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.678 -5.591 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.182 -4.734 -4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.618 -3.993 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.378 -3.237 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.108 -6.606 -5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.138 -7.362 -4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.828 -6.164 -5.628 1.00 0.00 H new ATOM 176 N ALA A 12 -5.815 -4.425 -0.003 1.00 0.00 N ATOM 177 CA ALA A 12 -6.821 -3.969 0.964 1.00 0.00 C ATOM 178 C ALA A 12 -6.259 -2.950 1.986 1.00 0.00 C ATOM 179 O ALA A 12 -6.962 -2.026 2.406 1.00 0.00 O ATOM 180 CB ALA A 12 -7.448 -5.184 1.654 1.00 0.00 C ATOM 0 H ALA A 12 -5.551 -5.402 0.122 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.594 -3.429 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.196 -4.849 2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.922 -5.822 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.673 -5.748 2.173 1.00 0.00 H new ATOM 186 N ARG A 13 -4.973 -3.056 2.344 1.00 0.00 N ATOM 187 CA ARG A 13 -4.258 -2.035 3.124 1.00 0.00 C ATOM 188 C ARG A 13 -4.167 -0.670 2.394 1.00 0.00 C ATOM 189 O ARG A 13 -4.190 0.381 3.037 1.00 0.00 O ATOM 190 CB ARG A 13 -2.847 -2.536 3.505 1.00 0.00 C ATOM 191 CG ARG A 13 -2.762 -3.190 4.890 1.00 0.00 C ATOM 192 CD ARG A 13 -3.285 -4.630 4.885 1.00 0.00 C ATOM 193 NE ARG A 13 -3.451 -5.144 6.254 1.00 0.00 N ATOM 194 CZ ARG A 13 -4.540 -5.055 7.001 1.00 0.00 C ATOM 195 NH1 ARG A 13 -5.635 -4.482 6.572 1.00 0.00 N ATOM 196 NH2 ARG A 13 -4.552 -5.543 8.209 1.00 0.00 N ATOM 0 H ARG A 13 -4.394 -3.859 2.099 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.841 -1.869 4.030 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.515 -3.255 2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.154 -1.695 3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.726 -3.183 5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.336 -2.600 5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.240 -4.670 4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.593 -5.269 4.336 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.647 -5.616 6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.669 -4.085 5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.455 -4.432 7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.719 -5.997 8.584 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.394 -5.471 8.780 1.00 0.00 H new ATOM 210 N LEU A 14 -4.118 -0.670 1.057 1.00 0.00 N ATOM 211 CA LEU A 14 -4.069 0.541 0.212 1.00 0.00 C ATOM 212 C LEU A 14 -5.383 1.318 0.266 1.00 0.00 C ATOM 213 O LEU A 14 -5.410 2.526 0.475 1.00 0.00 O ATOM 214 CB LEU A 14 -3.809 0.166 -1.258 1.00 0.00 C ATOM 215 CG LEU A 14 -2.798 -0.947 -1.491 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.622 -1.125 -2.986 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.461 -0.780 -0.795 1.00 0.00 C ATOM 0 H LEU A 14 -4.111 -1.533 0.513 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.260 1.160 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.756 -0.129 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.468 1.057 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.211 -1.843 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.900 -1.919 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.579 -1.389 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.260 -0.194 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.820 -1.629 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.985 0.140 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.616 -0.730 0.283 1.00 0.00 H new ATOM 229 N MET A 15 -6.461 0.558 0.103 1.00 0.00 N ATOM 230 CA MET A 15 -7.835 1.047 0.251 1.00 0.00 C ATOM 231 C MET A 15 -7.999 1.767 1.609 1.00 0.00 C ATOM 232 O MET A 15 -8.481 2.900 1.661 1.00 0.00 O ATOM 233 CB MET A 15 -8.830 -0.117 0.092 1.00 0.00 C ATOM 234 CG MET A 15 -9.809 0.134 -1.053 1.00 0.00 C ATOM 235 SD MET A 15 -11.152 -1.086 -1.112 1.00 0.00 S ATOM 236 CE MET A 15 -12.500 -0.032 -1.705 1.00 0.00 C ATOM 0 H MET A 15 -6.408 -0.431 -0.140 1.00 0.00 H new ATOM 0 HA MET A 15 -8.050 1.773 -0.533 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.283 -1.042 -0.092 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.383 -0.253 1.021 1.00 0.00 H new ATOM 0 HG2 MET A 15 -10.235 1.132 -0.948 1.00 0.00 H new ATOM 0 HG3 MET A 15 -9.267 0.117 -1.999 1.00 0.00 H new ATOM 0 HE1 MET A 15 -13.410 -0.624 -1.800 1.00 0.00 H new ATOM 0 HE2 MET A 15 -12.667 0.779 -0.996 1.00 0.00 H new ATOM 0 HE3 MET A 15 -12.235 0.385 -2.677 1.00 0.00 H new ATOM 246 N SER A 16 -7.495 1.162 2.693 1.00 0.00 N ATOM 247 CA SER A 16 -7.474 1.764 4.045 1.00 0.00 C ATOM 248 C SER A 16 -6.653 3.061 4.244 1.00 0.00 C ATOM 249 O SER A 16 -6.873 3.760 5.238 1.00 0.00 O ATOM 250 CB SER A 16 -6.991 0.728 5.077 1.00 0.00 C ATOM 251 OG SER A 16 -7.729 -0.486 5.024 1.00 0.00 O ATOM 0 H SER A 16 -7.084 0.229 2.662 1.00 0.00 H new ATOM 0 HA SER A 16 -8.511 2.066 4.188 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.936 0.515 4.905 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.071 1.153 6.077 1.00 0.00 H new ATOM 0 HG SER A 16 -7.497 -0.975 4.207 1.00 0.00 H new ATOM 257 N LEU A 17 -5.735 3.416 3.339 1.00 0.00 N ATOM 258 CA LEU A 17 -5.069 4.735 3.326 1.00 0.00 C ATOM 259 C LEU A 17 -5.759 5.718 2.350 1.00 0.00 C ATOM 260 O LEU A 17 -5.846 6.916 2.624 1.00 0.00 O ATOM 261 CB LEU A 17 -3.581 4.563 2.951 1.00 0.00 C ATOM 262 CG LEU A 17 -2.671 4.037 4.080 1.00 0.00 C ATOM 263 CD1 LEU A 17 -1.231 3.900 3.578 1.00 0.00 C ATOM 264 CD2 LEU A 17 -2.606 4.978 5.282 1.00 0.00 C ATOM 0 H LEU A 17 -5.427 2.798 2.589 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.147 5.162 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.514 3.879 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.195 5.525 2.615 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.103 3.083 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.599 3.528 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.202 3.201 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.866 4.873 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.951 4.553 6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.215 5.945 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.606 5.108 5.697 1.00 0.00 H new ATOM 276 N GLY A 18 -6.250 5.203 1.220 1.00 0.00 N ATOM 277 CA GLY A 18 -6.790 5.966 0.092 1.00 0.00 C ATOM 278 C GLY A 18 -5.861 5.868 -1.128 1.00 0.00 C ATOM 279 O GLY A 18 -4.896 6.628 -1.219 1.00 0.00 O ATOM 0 H GLY A 18 -6.283 4.196 1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.779 5.589 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.912 7.010 0.379 1.00 0.00 H new ATOM 283 N LEU A 19 -6.182 4.954 -2.053 1.00 0.00 N ATOM 284 CA LEU A 19 -5.523 4.787 -3.361 1.00 0.00 C ATOM 285 C LEU A 19 -6.533 4.385 -4.483 1.00 0.00 C ATOM 286 O LEU A 19 -7.734 4.276 -4.222 1.00 0.00 O ATOM 287 CB LEU A 19 -4.367 3.780 -3.203 1.00 0.00 C ATOM 288 CG LEU A 19 -3.141 4.322 -2.440 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.042 3.266 -2.280 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.517 5.522 -3.158 1.00 0.00 C ATOM 0 H LEU A 19 -6.937 4.283 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.111 5.742 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.740 2.897 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.048 3.456 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.517 4.615 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.201 3.696 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.434 2.414 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.708 2.936 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.656 5.877 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.197 5.223 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.254 6.321 -3.238 1.00 0.00 H new ATOM 302 N SER A 20 -6.069 4.223 -5.733 1.00 0.00 N ATOM 303 CA SER A 20 -6.860 3.896 -6.937 1.00 0.00 C ATOM 304 C SER A 20 -7.360 2.421 -6.986 1.00 0.00 C ATOM 305 O SER A 20 -7.504 1.776 -5.943 1.00 0.00 O ATOM 306 CB SER A 20 -5.982 4.222 -8.164 1.00 0.00 C ATOM 307 OG SER A 20 -5.388 5.506 -8.062 1.00 0.00 O ATOM 0 H SER A 20 -5.076 4.322 -5.945 1.00 0.00 H new ATOM 0 HA SER A 20 -7.771 4.494 -6.924 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.202 3.468 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.589 4.173 -9.068 1.00 0.00 H new ATOM 0 HG SER A 20 -4.839 5.676 -8.855 1.00 0.00 H new ATOM 313 N ILE A 21 -7.599 1.862 -8.187 1.00 0.00 N ATOM 314 CA ILE A 21 -7.966 0.445 -8.393 1.00 0.00 C ATOM 315 C ILE A 21 -6.801 -0.414 -8.913 1.00 0.00 C ATOM 316 O ILE A 21 -5.958 -0.760 -8.088 1.00 0.00 O ATOM 317 CB ILE A 21 -9.311 0.302 -9.139 1.00 0.00 C ATOM 318 CG1 ILE A 21 -9.798 -1.166 -9.058 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.279 0.843 -10.581 1.00 0.00 C ATOM 320 CD1 ILE A 21 -11.161 -1.409 -9.713 1.00 0.00 C ATOM 0 H ILE A 21 -7.542 2.390 -9.058 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.160 0.004 -7.415 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.038 0.937 -8.634 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.058 -1.810 -9.534 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.852 -1.462 -8.010 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.258 0.709 -11.042 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.027 1.903 -10.566 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.529 0.300 -11.157 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.430 -2.461 -9.613 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.915 -0.793 -9.223 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.109 -1.146 -10.770 1.00 0.00 H new ATOM 332 N GLU A 22 -6.677 -0.780 -10.205 1.00 0.00 N ATOM 333 CA GLU A 22 -5.594 -1.687 -10.661 1.00 0.00 C ATOM 334 C GLU A 22 -4.258 -0.982 -10.500 1.00 0.00 C ATOM 335 O GLU A 22 -3.348 -1.538 -9.894 1.00 0.00 O ATOM 336 CB GLU A 22 -5.796 -2.100 -12.128 1.00 0.00 C ATOM 337 CG GLU A 22 -6.459 -3.471 -12.223 1.00 0.00 C ATOM 338 CD GLU A 22 -6.930 -3.724 -13.648 1.00 0.00 C ATOM 339 OE1 GLU A 22 -6.105 -4.155 -14.486 1.00 0.00 O ATOM 340 OE2 GLU A 22 -8.129 -3.501 -13.926 1.00 0.00 O ATOM 0 H GLU A 22 -7.304 -0.468 -10.947 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.615 -2.592 -10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.411 -1.358 -12.637 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.834 -2.121 -12.640 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.755 -4.246 -11.921 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.304 -3.524 -11.537 1.00 0.00 H new ATOM 347 N GLU A 23 -4.175 0.283 -10.927 1.00 0.00 N ATOM 348 CA GLU A 23 -3.051 1.178 -10.598 1.00 0.00 C ATOM 349 C GLU A 23 -2.639 1.306 -9.143 1.00 0.00 C ATOM 350 O GLU A 23 -1.445 1.363 -8.888 1.00 0.00 O ATOM 351 CB GLU A 23 -3.404 2.597 -11.046 1.00 0.00 C ATOM 352 CG GLU A 23 -2.176 3.438 -11.392 1.00 0.00 C ATOM 353 CD GLU A 23 -1.809 3.293 -12.865 1.00 0.00 C ATOM 354 OE1 GLU A 23 -2.416 4.003 -13.697 1.00 0.00 O ATOM 355 OE2 GLU A 23 -0.904 2.491 -13.187 1.00 0.00 O ATOM 0 H GLU A 23 -4.886 0.720 -11.513 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.213 0.708 -11.112 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.058 2.545 -11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.965 3.093 -10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.373 4.486 -11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.334 3.130 -10.772 1.00 0.00 H new ATOM 362 N ALA A 24 -3.564 1.320 -8.179 1.00 0.00 N ATOM 363 CA ALA A 24 -3.098 1.218 -6.791 1.00 0.00 C ATOM 364 C ALA A 24 -2.389 -0.109 -6.493 1.00 0.00 C ATOM 365 O ALA A 24 -1.435 -0.115 -5.726 1.00 0.00 O ATOM 366 CB ALA A 24 -4.277 1.286 -5.834 1.00 0.00 C ATOM 0 H ALA A 24 -4.572 1.395 -8.315 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.402 2.046 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.918 1.209 -4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.798 2.234 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.962 0.464 -6.041 1.00 0.00 H new ATOM 372 N THR A 25 -2.819 -1.217 -7.106 1.00 0.00 N ATOM 373 CA THR A 25 -2.215 -2.528 -6.823 1.00 0.00 C ATOM 374 C THR A 25 -0.778 -2.548 -7.372 1.00 0.00 C ATOM 375 O THR A 25 0.184 -2.577 -6.610 1.00 0.00 O ATOM 376 CB THR A 25 -3.071 -3.706 -7.348 1.00 0.00 C ATOM 377 OG1 THR A 25 -2.937 -3.987 -8.722 1.00 0.00 O ATOM 378 CG2 THR A 25 -4.570 -3.535 -7.087 1.00 0.00 C ATOM 0 H THR A 25 -3.573 -1.236 -7.793 1.00 0.00 H new ATOM 0 HA THR A 25 -2.179 -2.671 -5.743 1.00 0.00 H new ATOM 0 HB THR A 25 -2.663 -4.537 -6.773 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.148 -3.184 -9.242 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.109 -4.397 -7.481 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.746 -3.457 -6.014 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.924 -2.630 -7.580 1.00 0.00 H new ATOM 386 N GLU A 26 -0.609 -2.333 -8.683 1.00 0.00 N ATOM 387 CA GLU A 26 0.688 -2.089 -9.352 1.00 0.00 C ATOM 388 C GLU A 26 1.505 -0.922 -8.795 1.00 0.00 C ATOM 389 O GLU A 26 2.722 -0.944 -8.933 1.00 0.00 O ATOM 390 CB GLU A 26 0.471 -1.829 -10.847 1.00 0.00 C ATOM 391 CG GLU A 26 0.066 -3.101 -11.584 1.00 0.00 C ATOM 392 CD GLU A 26 -0.146 -2.789 -13.059 1.00 0.00 C ATOM 393 OE1 GLU A 26 0.832 -2.880 -13.834 1.00 0.00 O ATOM 394 OE2 GLU A 26 -1.293 -2.463 -13.441 1.00 0.00 O ATOM 0 H GLU A 26 -1.394 -2.323 -9.334 1.00 0.00 H new ATOM 0 HA GLU A 26 1.261 -2.997 -9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.301 -1.071 -10.977 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.386 -1.430 -11.284 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.838 -3.861 -11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.848 -3.508 -11.153 1.00 0.00 H new ATOM 401 N PHE A 27 0.874 0.013 -8.080 1.00 0.00 N ATOM 402 CA PHE A 27 1.637 1.055 -7.380 1.00 0.00 C ATOM 403 C PHE A 27 2.144 0.563 -6.026 1.00 0.00 C ATOM 404 O PHE A 27 3.207 0.990 -5.592 1.00 0.00 O ATOM 405 CB PHE A 27 0.839 2.350 -7.172 1.00 0.00 C ATOM 406 CG PHE A 27 1.654 3.465 -6.534 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.478 4.268 -7.349 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.637 3.680 -5.137 1.00 0.00 C ATOM 409 CE1 PHE A 27 3.239 5.307 -6.785 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.396 4.719 -4.579 1.00 0.00 C ATOM 411 CZ PHE A 27 3.190 5.540 -5.399 1.00 0.00 C ATOM 0 H PHE A 27 -0.138 0.073 -7.970 1.00 0.00 H new ATOM 0 HA PHE A 27 2.482 1.279 -8.031 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.459 2.693 -8.134 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.027 2.138 -6.545 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.525 4.084 -8.412 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.040 3.045 -4.500 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.861 5.926 -7.415 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.370 4.890 -3.513 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.761 6.348 -4.965 1.00 0.00 H new ATOM 421 N TYR A 28 1.441 -0.335 -5.338 1.00 0.00 N ATOM 422 CA TYR A 28 1.832 -0.861 -4.038 1.00 0.00 C ATOM 423 C TYR A 28 3.091 -1.722 -4.142 1.00 0.00 C ATOM 424 O TYR A 28 4.070 -1.468 -3.441 1.00 0.00 O ATOM 425 CB TYR A 28 0.625 -1.650 -3.491 1.00 0.00 C ATOM 426 CG TYR A 28 0.783 -3.132 -3.184 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.601 -3.484 -2.113 1.00 0.00 C ATOM 428 CD2 TYR A 28 0.145 -4.150 -3.921 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.852 -4.830 -1.804 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.409 -5.503 -3.629 1.00 0.00 C ATOM 431 CZ TYR A 28 1.291 -5.842 -2.592 1.00 0.00 C ATOM 432 OH TYR A 28 1.574 -7.146 -2.319 1.00 0.00 O ATOM 0 H TYR A 28 0.563 -0.724 -5.680 1.00 0.00 H new ATOM 0 HA TYR A 28 2.090 -0.054 -3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.300 -1.158 -2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.186 -1.549 -4.212 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.050 -2.708 -1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.546 -3.893 -4.710 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.476 -5.084 -0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.069 -6.281 -4.205 1.00 0.00 H new ATOM 0 HH TYR A 28 2.349 -7.194 -1.721 1.00 0.00 H new ATOM 442 N GLU A 29 3.078 -2.718 -5.040 1.00 0.00 N ATOM 443 CA GLU A 29 4.237 -3.577 -5.312 1.00 0.00 C ATOM 444 C GLU A 29 5.398 -2.794 -5.926 1.00 0.00 C ATOM 445 O GLU A 29 6.517 -2.903 -5.422 1.00 0.00 O ATOM 446 CB GLU A 29 3.840 -4.810 -6.147 1.00 0.00 C ATOM 447 CG GLU A 29 3.046 -4.520 -7.423 1.00 0.00 C ATOM 448 CD GLU A 29 2.690 -5.819 -8.133 1.00 0.00 C ATOM 449 OE1 GLU A 29 3.554 -6.346 -8.869 1.00 0.00 O ATOM 450 OE2 GLU A 29 1.550 -6.302 -7.961 1.00 0.00 O ATOM 0 H GLU A 29 2.258 -2.950 -5.600 1.00 0.00 H new ATOM 0 HA GLU A 29 4.600 -3.952 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.748 -5.348 -6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.251 -5.477 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.137 -3.972 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.632 -3.884 -8.087 1.00 0.00 H new ATOM 457 N ASN A 30 5.138 -1.988 -6.968 1.00 0.00 N ATOM 458 CA ASN A 30 6.230 -1.179 -7.531 1.00 0.00 C ATOM 459 C ASN A 30 6.866 -0.272 -6.466 1.00 0.00 C ATOM 460 O ASN A 30 8.097 -0.165 -6.419 1.00 0.00 O ATOM 461 CB ASN A 30 5.805 -0.366 -8.756 1.00 0.00 C ATOM 462 CG ASN A 30 5.879 -1.214 -10.017 1.00 0.00 C ATOM 463 OD1 ASN A 30 5.137 -2.168 -10.217 1.00 0.00 O ATOM 464 ND2 ASN A 30 6.833 -0.935 -10.884 1.00 0.00 N ATOM 0 H ASN A 30 4.229 -1.880 -7.419 1.00 0.00 H new ATOM 0 HA ASN A 30 6.983 -1.889 -7.873 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.788 0.003 -8.619 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.449 0.507 -8.861 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.950 -1.512 -11.717 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.453 -0.142 -10.722 1.00 0.00 H new ATOM 471 N ASP A 31 6.063 0.335 -5.581 1.00 0.00 N ATOM 472 CA ASP A 31 6.598 1.119 -4.468 1.00 0.00 C ATOM 473 C ASP A 31 7.356 0.269 -3.441 1.00 0.00 C ATOM 474 O ASP A 31 8.504 0.629 -3.180 1.00 0.00 O ATOM 475 CB ASP A 31 5.544 2.025 -3.806 1.00 0.00 C ATOM 476 CG ASP A 31 6.199 3.168 -2.998 1.00 0.00 C ATOM 477 OD1 ASP A 31 6.743 2.898 -1.903 1.00 0.00 O ATOM 478 OD2 ASP A 31 6.184 4.329 -3.473 1.00 0.00 O ATOM 0 H ASP A 31 5.044 0.296 -5.617 1.00 0.00 H new ATOM 0 HA ASP A 31 7.335 1.784 -4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.894 2.447 -4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.914 1.428 -3.147 1.00 0.00 H new ATOM 483 N VAL A 32 6.864 -0.851 -2.870 1.00 0.00 N ATOM 484 CA VAL A 32 7.540 -1.684 -1.843 1.00 0.00 C ATOM 485 C VAL A 32 6.587 -2.881 -1.478 1.00 0.00 C ATOM 486 O VAL A 32 6.459 -3.824 -2.258 1.00 0.00 O ATOM 487 CB VAL A 32 7.969 -0.878 -0.593 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.790 -0.085 0.018 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.679 -1.780 0.432 1.00 0.00 C ATOM 0 H VAL A 32 5.946 -1.218 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 32 8.473 -2.066 -2.257 1.00 0.00 H new ATOM 0 HB VAL A 32 8.696 -0.131 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.136 0.466 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.401 0.615 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.001 -0.776 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.969 -1.187 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.003 -2.576 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.568 -2.217 -0.022 1.00 0.00 H new ATOM 499 N THR A 33 5.886 -2.816 -0.334 1.00 0.00 N ATOM 500 CA THR A 33 4.964 -3.807 0.254 1.00 0.00 C ATOM 501 C THR A 33 3.852 -3.066 1.046 1.00 0.00 C ATOM 502 O THR A 33 2.719 -2.953 0.599 1.00 0.00 O ATOM 503 CB THR A 33 5.772 -4.723 1.212 1.00 0.00 C ATOM 504 OG1 THR A 33 6.825 -5.385 0.547 1.00 0.00 O ATOM 505 CG2 THR A 33 4.948 -5.768 1.961 1.00 0.00 C ATOM 0 H THR A 33 5.956 -1.990 0.261 1.00 0.00 H new ATOM 0 HA THR A 33 4.502 -4.408 -0.530 1.00 0.00 H new ATOM 0 HB THR A 33 6.161 -4.025 1.953 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.310 -5.950 1.184 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.603 -6.356 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.195 -5.269 2.571 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.456 -6.426 1.244 1.00 0.00 H new ATOM 513 N TYR A 34 4.194 -2.494 2.206 1.00 0.00 N ATOM 514 CA TYR A 34 3.225 -1.679 2.968 1.00 0.00 C ATOM 515 C TYR A 34 3.767 -0.565 3.854 1.00 0.00 C ATOM 516 O TYR A 34 3.476 0.601 3.593 1.00 0.00 O ATOM 517 CB TYR A 34 2.244 -2.567 3.736 1.00 0.00 C ATOM 518 CG TYR A 34 1.327 -1.801 4.670 1.00 0.00 C ATOM 519 CD1 TYR A 34 0.228 -1.062 4.194 1.00 0.00 C ATOM 520 CD2 TYR A 34 1.630 -1.791 6.036 1.00 0.00 C ATOM 521 CE1 TYR A 34 -0.603 -0.370 5.099 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.780 -1.134 6.946 1.00 0.00 C ATOM 523 CZ TYR A 34 -0.349 -0.440 6.478 1.00 0.00 C ATOM 524 OH TYR A 34 -1.194 0.163 7.362 1.00 0.00 O ATOM 0 H TYR A 34 5.115 -2.574 2.636 1.00 0.00 H new ATOM 0 HA TYR A 34 2.712 -1.125 2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.637 -3.124 3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.807 -3.299 4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.021 -1.025 3.135 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.519 -2.289 6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.434 0.213 4.732 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.996 -1.163 8.004 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.871 0.016 8.276 1.00 0.00 H new ATOM 534 N GLU A 35 4.534 -0.888 4.898 1.00 0.00 N ATOM 535 CA GLU A 35 4.925 0.129 5.898 1.00 0.00 C ATOM 536 C GLU A 35 5.824 1.204 5.293 1.00 0.00 C ATOM 537 O GLU A 35 5.636 2.381 5.588 1.00 0.00 O ATOM 538 CB GLU A 35 5.527 -0.491 7.165 1.00 0.00 C ATOM 539 CG GLU A 35 4.486 -0.634 8.281 1.00 0.00 C ATOM 540 CD GLU A 35 4.394 0.629 9.131 1.00 0.00 C ATOM 541 OE1 GLU A 35 5.315 0.859 9.948 1.00 0.00 O ATOM 542 OE2 GLU A 35 3.386 1.359 9.021 1.00 0.00 O ATOM 0 H GLU A 35 4.895 -1.825 5.078 1.00 0.00 H new ATOM 0 HA GLU A 35 4.007 0.625 6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.942 -1.471 6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.352 0.129 7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.511 -0.850 7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.746 -1.481 8.915 1.00 0.00 H new ATOM 549 N ARG A 36 6.708 0.854 4.352 1.00 0.00 N ATOM 550 CA ARG A 36 7.452 1.836 3.555 1.00 0.00 C ATOM 551 C ARG A 36 6.557 2.775 2.716 1.00 0.00 C ATOM 552 O ARG A 36 6.633 3.980 2.919 1.00 0.00 O ATOM 553 CB ARG A 36 8.454 1.099 2.650 1.00 0.00 C ATOM 554 CG ARG A 36 9.880 1.001 3.210 1.00 0.00 C ATOM 555 CD ARG A 36 10.899 1.145 2.071 1.00 0.00 C ATOM 556 NE ARG A 36 12.256 1.374 2.582 1.00 0.00 N ATOM 557 CZ ARG A 36 13.368 1.378 1.865 1.00 0.00 C ATOM 558 NH1 ARG A 36 13.391 1.036 0.604 1.00 0.00 N ATOM 559 NH2 ARG A 36 14.493 1.742 2.413 1.00 0.00 N ATOM 0 H ARG A 36 6.927 -0.115 4.122 1.00 0.00 H new ATOM 0 HA ARG A 36 7.973 2.484 4.260 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.082 0.091 2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.492 1.606 1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.042 1.780 3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.017 0.044 3.714 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.888 0.244 1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.609 1.974 1.426 1.00 0.00 H new ATOM 0 HE ARG A 36 12.350 1.546 3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.530 0.752 0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.270 1.053 0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.515 2.023 3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.351 1.746 1.862 1.00 0.00 H new ATOM 573 N TYR A 37 5.732 2.275 1.780 1.00 0.00 N ATOM 574 CA TYR A 37 4.905 3.178 0.946 1.00 0.00 C ATOM 575 C TYR A 37 3.951 4.012 1.809 1.00 0.00 C ATOM 576 O TYR A 37 3.700 5.164 1.493 1.00 0.00 O ATOM 577 CB TYR A 37 4.128 2.481 -0.196 1.00 0.00 C ATOM 578 CG TYR A 37 2.690 2.108 0.108 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.691 3.102 0.130 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.350 0.784 0.428 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.402 2.809 0.584 1.00 0.00 C ATOM 582 CE2 TYR A 37 1.057 0.496 0.901 1.00 0.00 C ATOM 583 CZ TYR A 37 0.109 1.520 1.045 1.00 0.00 C ATOM 584 OH TYR A 37 -1.080 1.269 1.653 1.00 0.00 O ATOM 0 H TYR A 37 5.618 1.281 1.582 1.00 0.00 H new ATOM 0 HA TYR A 37 5.624 3.833 0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.136 3.137 -1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.666 1.575 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.924 4.101 -0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.076 -0.007 0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.363 3.572 0.579 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.792 -0.520 1.155 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.922 0.799 2.498 1.00 0.00 H new ATOM 594 N LEU A 38 3.492 3.444 2.924 1.00 0.00 N ATOM 595 CA LEU A 38 2.740 4.199 3.917 1.00 0.00 C ATOM 596 C LEU A 38 3.564 5.394 4.428 1.00 0.00 C ATOM 597 O LEU A 38 3.073 6.517 4.368 1.00 0.00 O ATOM 598 CB LEU A 38 2.213 3.284 5.034 1.00 0.00 C ATOM 599 CG LEU A 38 1.505 4.035 6.185 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.589 3.077 6.939 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.474 4.651 7.204 1.00 0.00 C ATOM 0 H LEU A 38 3.630 2.461 3.159 1.00 0.00 H new ATOM 0 HA LEU A 38 1.853 4.621 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.517 2.565 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.046 2.714 5.445 1.00 0.00 H new ATOM 0 HG LEU A 38 0.949 4.846 5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.092 3.611 7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.160 2.676 6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.179 2.259 7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.907 5.162 7.982 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.079 3.863 7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.125 5.366 6.701 1.00 0.00 H new ATOM 613 N GLU A 39 4.816 5.194 4.865 1.00 0.00 N ATOM 614 CA GLU A 39 5.716 6.287 5.295 1.00 0.00 C ATOM 615 C GLU A 39 5.987 7.286 4.177 1.00 0.00 C ATOM 616 O GLU A 39 5.724 8.473 4.355 1.00 0.00 O ATOM 617 CB GLU A 39 7.049 5.748 5.841 1.00 0.00 C ATOM 618 CG GLU A 39 6.985 5.547 7.352 1.00 0.00 C ATOM 619 CD GLU A 39 8.353 5.139 7.880 1.00 0.00 C ATOM 620 OE1 GLU A 39 8.673 3.929 7.855 1.00 0.00 O ATOM 621 OE2 GLU A 39 9.106 6.032 8.330 1.00 0.00 O ATOM 0 H GLU A 39 5.239 4.268 4.932 1.00 0.00 H new ATOM 0 HA GLU A 39 5.193 6.807 6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.288 4.802 5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.852 6.443 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.659 6.467 7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.249 4.781 7.595 1.00 0.00 H new ATOM 628 N ILE A 40 6.463 6.830 3.017 1.00 0.00 N ATOM 629 CA ILE A 40 6.785 7.676 1.860 1.00 0.00 C ATOM 630 C ILE A 40 5.583 8.549 1.443 1.00 0.00 C ATOM 631 O ILE A 40 5.700 9.772 1.473 1.00 0.00 O ATOM 632 CB ILE A 40 7.333 6.787 0.707 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.626 6.028 1.119 1.00 0.00 C ATOM 634 CG2 ILE A 40 7.635 7.624 -0.550 1.00 0.00 C ATOM 635 CD1 ILE A 40 8.895 4.769 0.283 1.00 0.00 C ATOM 0 H ILE A 40 6.640 5.840 2.849 1.00 0.00 H new ATOM 0 HA ILE A 40 7.569 8.382 2.132 1.00 0.00 H new ATOM 0 HB ILE A 40 6.551 6.061 0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.477 6.703 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.553 5.747 2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.016 6.974 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.721 8.110 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.382 8.382 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.813 4.293 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.062 4.074 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.001 5.045 -0.766 1.00 0.00 H new ATOM 647 N LEU A 41 4.423 7.946 1.151 1.00 0.00 N ATOM 648 CA LEU A 41 3.187 8.609 0.700 1.00 0.00 C ATOM 649 C LEU A 41 2.558 9.527 1.772 1.00 0.00 C ATOM 650 O LEU A 41 1.955 10.554 1.449 1.00 0.00 O ATOM 651 CB LEU A 41 2.153 7.555 0.251 1.00 0.00 C ATOM 652 CG LEU A 41 2.366 6.892 -1.131 1.00 0.00 C ATOM 653 CD1 LEU A 41 1.748 7.762 -2.217 1.00 0.00 C ATOM 654 CD2 LEU A 41 3.819 6.630 -1.544 1.00 0.00 C ATOM 0 H LEU A 41 4.313 6.935 1.226 1.00 0.00 H new ATOM 0 HA LEU A 41 3.469 9.246 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.128 6.766 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.170 8.026 0.251 1.00 0.00 H new ATOM 0 HG LEU A 41 1.890 5.917 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.899 7.293 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.680 7.873 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.222 8.744 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.839 6.164 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.363 7.574 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.289 5.966 -0.819 1.00 0.00 H new ATOM 666 N LYS A 42 2.687 9.172 3.053 1.00 0.00 N ATOM 667 CA LYS A 42 2.240 10.013 4.171 1.00 0.00 C ATOM 668 C LYS A 42 3.144 11.253 4.356 1.00 0.00 C ATOM 669 O LYS A 42 2.652 12.333 4.689 1.00 0.00 O ATOM 670 CB LYS A 42 2.176 9.160 5.448 1.00 0.00 C ATOM 671 CG LYS A 42 1.615 9.883 6.685 1.00 0.00 C ATOM 672 CD LYS A 42 2.621 9.854 7.846 1.00 0.00 C ATOM 673 CE LYS A 42 2.078 10.599 9.074 1.00 0.00 C ATOM 674 NZ LYS A 42 2.708 11.925 9.255 1.00 0.00 N ATOM 0 H LYS A 42 3.106 8.290 3.347 1.00 0.00 H new ATOM 0 HA LYS A 42 1.244 10.395 3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.562 8.281 5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.179 8.802 5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.379 10.916 6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.683 9.410 6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.841 8.820 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.560 10.308 7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.000 10.723 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.247 9.995 9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.308 12.387 10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.734 11.808 9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.526 12.513 8.417 1.00 0.00 H new