USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 651 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 5 LYS NZ :NH3+ 160:sc= -0.0344 (180deg=-0.253) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -107:sc= -0.22 USER MOD Single : A 16 THR OG1 : rot 36:sc= -1.27 USER MOD Single : A 21 SER OG : rot 75:sc= 1.23 USER MOD Single : A 22 SER OG : rot -101:sc= 0.977 USER MOD Single : A 24 THR OG1 : rot 68:sc= -0.724! USER MOD Single : A 37 SER OG : rot 75:sc= 0.712 USER MOD Single : A 40 THR OG1 : rot 82:sc= 0.0638 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -5:sc= -0.431 USER MOD Single : A 60 TYR OH : rot 85:sc= 0.166 USER MOD Single : A 63 GLN : amide:sc= -0.0121 K(o=-0.012,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.344 K(o=-0.34,f=-2.6!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.586 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -161:sc= -0.076 (180deg=-0.659) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N PRO A 4 -0.168 -3.254 -0.142 1.00 0.00 N ATOM 55 CA PRO A 4 0.046 -3.750 1.257 1.00 0.00 C ATOM 56 C PRO A 4 1.142 -2.972 1.992 1.00 0.00 C ATOM 57 O PRO A 4 1.575 -3.375 3.071 1.00 0.00 O ATOM 58 CB PRO A 4 0.454 -5.232 1.078 1.00 0.00 C ATOM 59 CG PRO A 4 0.036 -5.599 -0.309 1.00 0.00 C ATOM 60 CD PRO A 4 0.113 -4.318 -1.132 1.00 0.00 C ATOM 0 HA PRO A 4 -0.849 -3.623 1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.528 -5.362 1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.037 -5.866 1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.691 -6.366 -0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -0.975 -6.005 -0.316 1.00 0.00 H new ATOM 0 HD2 PRO A 4 1.095 -4.193 -1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.617 -4.316 -1.941 1.00 0.00 H new ATOM 68 N LYS A 5 1.588 -1.863 1.411 1.00 0.00 N ATOM 69 CA LYS A 5 2.634 -1.064 2.042 1.00 0.00 C ATOM 70 C LYS A 5 2.108 -0.382 3.300 1.00 0.00 C ATOM 71 O LYS A 5 2.879 0.147 4.097 1.00 0.00 O ATOM 72 CB LYS A 5 3.157 0.000 1.070 1.00 0.00 C ATOM 73 CG LYS A 5 3.848 -0.675 -0.120 1.00 0.00 C ATOM 74 CD LYS A 5 4.704 0.355 -0.872 1.00 0.00 C ATOM 75 CE LYS A 5 3.829 1.489 -1.441 1.00 0.00 C ATOM 76 NZ LYS A 5 3.922 2.674 -0.543 1.00 0.00 N ATOM 0 H LYS A 5 1.249 -1.501 0.520 1.00 0.00 H new ATOM 0 HA LYS A 5 3.448 -1.735 2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.333 0.621 0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.857 0.660 1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.473 -1.497 0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.103 -1.103 -0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.453 0.772 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.242 -0.136 -1.683 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.160 1.752 -2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.793 1.160 -1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.632 3.527 -1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.296 2.538 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.903 2.785 -0.215 1.00 0.00 H new ATOM 90 N THR A 6 0.784 -0.388 3.473 1.00 0.00 N ATOM 91 CA THR A 6 0.159 0.238 4.646 1.00 0.00 C ATOM 92 C THR A 6 -0.499 -0.814 5.535 1.00 0.00 C ATOM 93 O THR A 6 -0.269 -0.851 6.744 1.00 0.00 O ATOM 94 CB THR A 6 -0.892 1.255 4.197 1.00 0.00 C ATOM 95 OG1 THR A 6 -0.340 2.083 3.183 1.00 0.00 O ATOM 96 CG2 THR A 6 -1.311 2.121 5.388 1.00 0.00 C ATOM 0 H THR A 6 0.126 -0.816 2.822 1.00 0.00 H new ATOM 0 HA THR A 6 0.937 0.744 5.218 1.00 0.00 H new ATOM 0 HB THR A 6 -1.764 0.729 3.808 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.011 2.735 2.892 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.060 2.845 5.066 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.731 1.487 6.169 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.441 2.649 5.778 1.00 0.00 H new ATOM 104 N LEU A 7 -1.336 -1.651 4.935 1.00 0.00 N ATOM 105 CA LEU A 7 -2.045 -2.677 5.695 1.00 0.00 C ATOM 106 C LEU A 7 -1.070 -3.631 6.389 1.00 0.00 C ATOM 107 O LEU A 7 -1.182 -3.867 7.586 1.00 0.00 O ATOM 108 CB LEU A 7 -2.952 -3.473 4.743 1.00 0.00 C ATOM 109 CG LEU A 7 -4.243 -2.693 4.477 1.00 0.00 C ATOM 110 CD1 LEU A 7 -3.907 -1.342 3.833 1.00 0.00 C ATOM 111 CD2 LEU A 7 -5.134 -3.505 3.532 1.00 0.00 C ATOM 0 H LEU A 7 -1.540 -1.642 3.936 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.641 -2.186 6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.431 -3.662 3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.187 -4.444 5.178 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.766 -2.520 5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.828 -0.790 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.270 -0.767 4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.385 -1.508 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.055 -2.955 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.608 -3.675 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.374 -4.464 3.992 1.00 0.00 H new ATOM 123 N LEU A 8 -0.120 -4.181 5.645 1.00 0.00 N ATOM 124 CA LEU A 8 0.845 -5.107 6.236 1.00 0.00 C ATOM 125 C LEU A 8 1.791 -4.384 7.196 1.00 0.00 C ATOM 126 O LEU A 8 2.155 -4.920 8.242 1.00 0.00 O ATOM 127 CB LEU A 8 1.636 -5.826 5.124 1.00 0.00 C ATOM 128 CG LEU A 8 2.638 -6.865 5.690 1.00 0.00 C ATOM 129 CD1 LEU A 8 3.891 -6.186 6.299 1.00 0.00 C ATOM 130 CD2 LEU A 8 1.956 -7.762 6.738 1.00 0.00 C ATOM 0 H LEU A 8 0.005 -4.008 4.648 1.00 0.00 H new ATOM 0 HA LEU A 8 0.297 -5.851 6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.939 -6.326 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.177 -5.088 4.532 1.00 0.00 H new ATOM 0 HG LEU A 8 2.969 -7.483 4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.567 -6.949 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.400 -5.605 5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.588 -5.526 7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.676 -8.484 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.586 -7.147 7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.122 -8.291 6.277 1.00 0.00 H new ATOM 142 N ARG A 9 2.173 -3.163 6.846 1.00 0.00 N ATOM 143 CA ARG A 9 3.073 -2.379 7.688 1.00 0.00 C ATOM 144 C ARG A 9 2.447 -2.058 9.049 1.00 0.00 C ATOM 145 O ARG A 9 3.156 -1.697 9.985 1.00 0.00 O ATOM 146 CB ARG A 9 3.474 -1.081 6.963 1.00 0.00 C ATOM 147 CG ARG A 9 4.631 -1.348 5.979 1.00 0.00 C ATOM 148 CD ARG A 9 5.958 -1.570 6.729 1.00 0.00 C ATOM 149 NE ARG A 9 7.078 -1.179 5.877 1.00 0.00 N ATOM 150 CZ ARG A 9 7.450 0.093 5.784 1.00 0.00 C ATOM 151 NH1 ARG A 9 6.799 1.014 6.441 1.00 0.00 N ATOM 152 NH2 ARG A 9 8.467 0.423 5.035 1.00 0.00 N ATOM 0 H ARG A 9 1.877 -2.694 5.990 1.00 0.00 H new ATOM 0 HA ARG A 9 3.963 -2.980 7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.616 -0.678 6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.775 -0.328 7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.402 -2.224 5.373 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.733 -0.505 5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.968 -0.987 7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.054 -2.618 7.014 1.00 0.00 H new ATOM 0 HE ARG A 9 7.581 -1.891 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.004 0.757 7.026 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.085 1.990 6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.976 -0.296 4.521 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.752 1.400 4.964 1.00 0.00 H new ATOM 166 N VAL A 10 1.129 -2.168 9.167 1.00 0.00 N ATOM 167 CA VAL A 10 0.482 -1.872 10.442 1.00 0.00 C ATOM 168 C VAL A 10 0.864 -2.918 11.500 1.00 0.00 C ATOM 169 O VAL A 10 1.052 -2.590 12.669 1.00 0.00 O ATOM 170 CB VAL A 10 -1.054 -1.800 10.259 1.00 0.00 C ATOM 171 CG1 VAL A 10 -1.699 -3.191 10.376 1.00 0.00 C ATOM 172 CG2 VAL A 10 -1.665 -0.875 11.320 1.00 0.00 C ATOM 0 H VAL A 10 0.499 -2.453 8.417 1.00 0.00 H new ATOM 0 HA VAL A 10 0.830 -0.901 10.793 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.250 -1.408 9.261 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.777 -3.104 10.243 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.290 -3.848 9.608 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.488 -3.608 11.360 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.746 -0.830 11.184 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.440 -1.262 12.314 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.244 0.125 11.217 1.00 0.00 H new ATOM 182 N SER A 11 0.929 -4.183 11.082 1.00 0.00 N ATOM 183 CA SER A 11 1.234 -5.278 12.003 1.00 0.00 C ATOM 184 C SER A 11 2.595 -5.111 12.680 1.00 0.00 C ATOM 185 O SER A 11 2.687 -5.157 13.903 1.00 0.00 O ATOM 186 CB SER A 11 1.211 -6.602 11.236 1.00 0.00 C ATOM 187 OG SER A 11 1.011 -7.674 12.147 1.00 0.00 O ATOM 0 H SER A 11 0.775 -4.473 10.116 1.00 0.00 H new ATOM 0 HA SER A 11 0.476 -5.269 12.786 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.415 -6.590 10.492 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.149 -6.739 10.697 1.00 0.00 H new ATOM 0 HG SER A 11 0.994 -8.522 11.656 1.00 0.00 H new ATOM 193 N ILE A 12 3.647 -4.912 11.891 1.00 0.00 N ATOM 194 CA ILE A 12 4.982 -4.748 12.467 1.00 0.00 C ATOM 195 C ILE A 12 5.028 -3.489 13.335 1.00 0.00 C ATOM 196 O ILE A 12 5.533 -3.519 14.456 1.00 0.00 O ATOM 197 CB ILE A 12 6.039 -4.672 11.353 1.00 0.00 C ATOM 198 CG1 ILE A 12 7.467 -4.747 11.957 1.00 0.00 C ATOM 199 CG2 ILE A 12 5.873 -3.362 10.581 1.00 0.00 C ATOM 200 CD1 ILE A 12 7.949 -6.200 12.006 1.00 0.00 C ATOM 0 H ILE A 12 3.607 -4.861 10.873 1.00 0.00 H new ATOM 0 HA ILE A 12 5.204 -5.612 13.093 1.00 0.00 H new ATOM 0 HB ILE A 12 5.901 -5.515 10.676 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.154 -4.149 11.358 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.467 -4.323 12.961 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.622 -3.308 9.791 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.877 -3.323 10.140 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.001 -2.520 11.261 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.952 -6.237 12.432 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.271 -6.788 12.624 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.968 -6.611 10.997 1.00 0.00 H new ATOM 212 N ILE A 13 4.493 -2.387 12.818 1.00 0.00 N ATOM 213 CA ILE A 13 4.483 -1.136 13.574 1.00 0.00 C ATOM 214 C ILE A 13 3.633 -1.284 14.838 1.00 0.00 C ATOM 215 O ILE A 13 4.021 -0.832 15.914 1.00 0.00 O ATOM 216 CB ILE A 13 3.931 0.010 12.707 1.00 0.00 C ATOM 217 CG1 ILE A 13 4.922 0.303 11.571 1.00 0.00 C ATOM 218 CG2 ILE A 13 3.738 1.272 13.565 1.00 0.00 C ATOM 219 CD1 ILE A 13 4.361 1.374 10.625 1.00 0.00 C ATOM 0 H ILE A 13 4.066 -2.332 11.893 1.00 0.00 H new ATOM 0 HA ILE A 13 5.508 -0.901 13.861 1.00 0.00 H new ATOM 0 HB ILE A 13 2.968 -0.283 12.289 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.871 0.640 11.988 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.125 -0.612 11.014 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.347 2.078 12.944 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.034 1.060 14.370 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.696 1.573 13.990 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.078 1.567 9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.424 1.023 10.193 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.182 2.294 11.182 1.00 0.00 H new ATOM 231 N GLY A 14 2.467 -1.903 14.693 1.00 0.00 N ATOM 232 CA GLY A 14 1.562 -2.092 15.824 1.00 0.00 C ATOM 233 C GLY A 14 2.097 -3.125 16.815 1.00 0.00 C ATOM 234 O GLY A 14 1.973 -2.954 18.028 1.00 0.00 O ATOM 0 H GLY A 14 2.126 -2.281 13.809 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.416 -1.140 16.335 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.586 -2.411 15.459 1.00 0.00 H new ATOM 238 N THR A 15 2.676 -4.200 16.291 1.00 0.00 N ATOM 239 CA THR A 15 3.209 -5.264 17.138 1.00 0.00 C ATOM 240 C THR A 15 4.501 -4.829 17.816 1.00 0.00 C ATOM 241 O THR A 15 4.916 -5.415 18.814 1.00 0.00 O ATOM 242 CB THR A 15 3.483 -6.515 16.295 1.00 0.00 C ATOM 243 OG1 THR A 15 4.325 -6.171 15.204 1.00 0.00 O ATOM 244 CG2 THR A 15 2.163 -7.103 15.765 1.00 0.00 C ATOM 0 H THR A 15 2.788 -4.359 15.290 1.00 0.00 H new ATOM 0 HA THR A 15 2.467 -5.486 17.905 1.00 0.00 H new ATOM 0 HB THR A 15 3.974 -7.263 16.918 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.802 -6.170 14.375 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.374 -7.991 15.168 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.522 -7.374 16.604 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.657 -6.362 15.146 1.00 0.00 H new ATOM 252 N THR A 16 5.128 -3.792 17.274 1.00 0.00 N ATOM 253 CA THR A 16 6.368 -3.283 17.845 1.00 0.00 C ATOM 254 C THR A 16 6.076 -2.430 19.078 1.00 0.00 C ATOM 255 O THR A 16 6.795 -2.500 20.072 1.00 0.00 O ATOM 256 CB THR A 16 7.129 -2.455 16.793 1.00 0.00 C ATOM 257 OG1 THR A 16 6.200 -1.726 16.007 1.00 0.00 O ATOM 258 CG2 THR A 16 7.950 -3.380 15.883 1.00 0.00 C ATOM 0 H THR A 16 4.802 -3.291 16.447 1.00 0.00 H new ATOM 0 HA THR A 16 6.988 -4.127 18.148 1.00 0.00 H new ATOM 0 HB THR A 16 7.804 -1.767 17.302 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.452 -1.436 16.570 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.483 -2.783 15.143 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.667 -3.939 16.484 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.283 -4.076 15.375 1.00 0.00 H new ATOM 266 N LEU A 17 5.015 -1.631 19.007 1.00 0.00 N ATOM 267 CA LEU A 17 4.636 -0.768 20.125 1.00 0.00 C ATOM 268 C LEU A 17 4.244 -1.605 21.339 1.00 0.00 C ATOM 269 O LEU A 17 4.630 -1.301 22.468 1.00 0.00 O ATOM 270 CB LEU A 17 3.459 0.127 19.706 1.00 0.00 C ATOM 271 CG LEU A 17 3.962 1.282 18.811 1.00 0.00 C ATOM 272 CD1 LEU A 17 2.822 1.768 17.906 1.00 0.00 C ATOM 273 CD2 LEU A 17 4.448 2.459 19.677 1.00 0.00 C ATOM 0 H LEU A 17 4.405 -1.562 18.193 1.00 0.00 H new ATOM 0 HA LEU A 17 5.490 -0.146 20.395 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.717 -0.463 19.168 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.966 0.530 20.590 1.00 0.00 H new ATOM 0 HG LEU A 17 4.790 0.915 18.204 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.180 2.582 17.276 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.481 0.946 17.277 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.995 2.122 18.521 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.799 3.265 19.032 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.626 2.821 20.294 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.264 2.126 20.319 1.00 0.00 H new ATOM 285 N VAL A 18 3.483 -2.662 21.088 1.00 0.00 N ATOM 286 CA VAL A 18 3.039 -3.554 22.153 1.00 0.00 C ATOM 287 C VAL A 18 4.214 -4.340 22.727 1.00 0.00 C ATOM 288 O VAL A 18 4.305 -4.548 23.936 1.00 0.00 O ATOM 289 CB VAL A 18 1.980 -4.523 21.627 1.00 0.00 C ATOM 290 CG1 VAL A 18 1.509 -5.422 22.772 1.00 0.00 C ATOM 291 CG2 VAL A 18 0.793 -3.730 21.075 1.00 0.00 C ATOM 0 H VAL A 18 3.160 -2.923 20.157 1.00 0.00 H new ATOM 0 HA VAL A 18 2.606 -2.944 22.945 1.00 0.00 H new ATOM 0 HB VAL A 18 2.404 -5.136 20.832 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.753 -6.115 22.403 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.356 -5.984 23.165 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.082 -4.808 23.565 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.037 -4.420 20.700 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.364 -3.118 21.868 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.132 -3.086 20.263 1.00 0.00 H new ATOM 301 N ALA A 19 5.100 -4.789 21.845 1.00 0.00 N ATOM 302 CA ALA A 19 6.258 -5.567 22.269 1.00 0.00 C ATOM 303 C ALA A 19 7.075 -4.811 23.316 1.00 0.00 C ATOM 304 O ALA A 19 7.259 -5.282 24.437 1.00 0.00 O ATOM 305 CB ALA A 19 7.150 -5.872 21.063 1.00 0.00 C ATOM 0 H ALA A 19 5.040 -4.629 20.839 1.00 0.00 H new ATOM 0 HA ALA A 19 5.896 -6.496 22.710 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.013 -6.453 21.387 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.584 -6.442 20.327 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.489 -4.938 20.616 1.00 0.00 H new ATOM 311 N LEU A 20 7.558 -3.634 22.930 1.00 0.00 N ATOM 312 CA LEU A 20 8.364 -2.796 23.815 1.00 0.00 C ATOM 313 C LEU A 20 7.546 -2.212 24.965 1.00 0.00 C ATOM 314 O LEU A 20 8.065 -2.043 26.068 1.00 0.00 O ATOM 315 CB LEU A 20 9.034 -1.659 23.025 1.00 0.00 C ATOM 316 CG LEU A 20 7.978 -0.841 22.229 1.00 0.00 C ATOM 317 CD1 LEU A 20 7.620 0.446 22.981 1.00 0.00 C ATOM 318 CD2 LEU A 20 8.541 -0.464 20.846 1.00 0.00 C ATOM 0 H LEU A 20 7.404 -3.236 22.004 1.00 0.00 H new ATOM 0 HA LEU A 20 9.130 -3.441 24.246 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.569 -1.001 23.710 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.772 -2.073 22.338 1.00 0.00 H new ATOM 0 HG LEU A 20 7.085 -1.456 22.114 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.880 1.007 22.410 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.210 0.194 23.959 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.516 1.054 23.109 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.796 0.109 20.294 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.441 0.137 20.971 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.785 -1.371 20.293 1.00 0.00 H new ATOM 330 N SER A 21 6.276 -1.885 24.716 1.00 0.00 N ATOM 331 CA SER A 21 5.433 -1.309 25.758 1.00 0.00 C ATOM 332 C SER A 21 5.199 -2.316 26.880 1.00 0.00 C ATOM 333 O SER A 21 5.046 -1.953 28.036 1.00 0.00 O ATOM 334 CB SER A 21 4.095 -0.877 25.161 1.00 0.00 C ATOM 335 OG SER A 21 4.310 0.258 24.334 1.00 0.00 O ATOM 0 H SER A 21 5.816 -2.008 23.814 1.00 0.00 H new ATOM 0 HA SER A 21 5.941 -0.439 26.174 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.660 -1.691 24.580 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.387 -0.638 25.954 1.00 0.00 H new ATOM 0 HG SER A 21 4.732 -0.023 23.496 1.00 0.00 H new ATOM 341 N SER A 22 5.143 -3.584 26.512 1.00 0.00 N ATOM 342 CA SER A 22 4.897 -4.642 27.489 1.00 0.00 C ATOM 343 C SER A 22 5.836 -4.530 28.696 1.00 0.00 C ATOM 344 O SER A 22 5.744 -5.329 29.628 1.00 0.00 O ATOM 345 CB SER A 22 5.048 -6.016 26.837 1.00 0.00 C ATOM 346 OG SER A 22 6.399 -6.202 26.433 1.00 0.00 O ATOM 0 H SER A 22 5.263 -3.909 25.553 1.00 0.00 H new ATOM 0 HA SER A 22 3.874 -4.524 27.847 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.756 -6.798 27.538 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.385 -6.097 25.976 1.00 0.00 H new ATOM 0 HG SER A 22 6.476 -6.050 25.468 1.00 0.00 H new ATOM 352 N PHE A 23 6.730 -3.535 28.691 1.00 0.00 N ATOM 353 CA PHE A 23 7.659 -3.334 29.810 1.00 0.00 C ATOM 354 C PHE A 23 7.205 -2.146 30.677 1.00 0.00 C ATOM 355 O PHE A 23 7.596 -2.029 31.837 1.00 0.00 O ATOM 356 CB PHE A 23 9.077 -3.075 29.258 1.00 0.00 C ATOM 357 CG PHE A 23 9.801 -4.395 29.060 1.00 0.00 C ATOM 358 CD1 PHE A 23 9.284 -5.346 28.173 1.00 0.00 C ATOM 359 CD2 PHE A 23 10.973 -4.668 29.774 1.00 0.00 C ATOM 360 CE1 PHE A 23 9.939 -6.570 27.997 1.00 0.00 C ATOM 361 CE2 PHE A 23 11.629 -5.893 29.598 1.00 0.00 C ATOM 362 CZ PHE A 23 11.112 -6.845 28.711 1.00 0.00 C ATOM 0 H PHE A 23 6.830 -2.861 27.932 1.00 0.00 H new ATOM 0 HA PHE A 23 7.669 -4.230 30.431 1.00 0.00 H new ATOM 0 HB2 PHE A 23 9.016 -2.538 28.312 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.636 -2.443 29.948 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.378 -5.135 27.624 1.00 0.00 H new ATOM 0 HD2 PHE A 23 11.371 -3.935 30.460 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.540 -7.302 27.311 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.535 -6.103 30.147 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.617 -7.790 28.578 1.00 0.00 H new ATOM 372 N THR A 24 6.382 -1.269 30.094 1.00 0.00 N ATOM 373 CA THR A 24 5.886 -0.087 30.806 1.00 0.00 C ATOM 374 C THR A 24 4.942 -0.461 31.967 1.00 0.00 C ATOM 375 O THR A 24 5.072 0.071 33.067 1.00 0.00 O ATOM 376 CB THR A 24 5.149 0.857 29.809 1.00 0.00 C ATOM 377 OG1 THR A 24 5.192 0.295 28.509 1.00 0.00 O ATOM 378 CG2 THR A 24 5.816 2.240 29.765 1.00 0.00 C ATOM 0 H THR A 24 6.046 -1.354 29.135 1.00 0.00 H new ATOM 0 HA THR A 24 6.748 0.424 31.236 1.00 0.00 H new ATOM 0 HB THR A 24 4.118 0.969 30.146 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.639 -0.514 28.484 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.282 2.879 29.062 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.787 2.689 30.758 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.852 2.134 29.444 1.00 0.00 H new ATOM 386 N PRO A 25 3.986 -1.332 31.735 1.00 0.00 N ATOM 387 CA PRO A 25 2.997 -1.738 32.781 1.00 0.00 C ATOM 388 C PRO A 25 3.647 -2.031 34.130 1.00 0.00 C ATOM 389 O PRO A 25 3.010 -1.899 35.170 1.00 0.00 O ATOM 390 CB PRO A 25 2.346 -2.996 32.195 1.00 0.00 C ATOM 391 CG PRO A 25 2.455 -2.834 30.714 1.00 0.00 C ATOM 392 CD PRO A 25 3.729 -2.018 30.459 1.00 0.00 C ATOM 0 HA PRO A 25 2.285 -0.941 32.993 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.857 -3.898 32.532 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.305 -3.084 32.507 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.510 -3.804 30.220 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.580 -2.322 30.314 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.563 -2.661 30.179 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.588 -1.306 29.646 1.00 0.00 H new ATOM 400 N VAL A 26 4.912 -2.428 34.112 1.00 0.00 N ATOM 401 CA VAL A 26 5.610 -2.737 35.356 1.00 0.00 C ATOM 402 C VAL A 26 5.414 -1.599 36.359 1.00 0.00 C ATOM 403 O VAL A 26 5.511 -1.798 37.570 1.00 0.00 O ATOM 404 CB VAL A 26 7.099 -2.956 35.080 1.00 0.00 C ATOM 405 CG1 VAL A 26 7.740 -1.661 34.560 1.00 0.00 C ATOM 406 CG2 VAL A 26 7.788 -3.399 36.374 1.00 0.00 C ATOM 0 H VAL A 26 5.470 -2.543 33.266 1.00 0.00 H new ATOM 0 HA VAL A 26 5.197 -3.652 35.780 1.00 0.00 H new ATOM 0 HB VAL A 26 7.216 -3.728 34.320 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.799 -1.831 34.368 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.248 -1.357 33.636 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.628 -0.875 35.306 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.850 -3.557 36.185 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.666 -2.627 37.134 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.340 -4.328 36.725 1.00 0.00 H new ATOM 416 N LEU A 27 5.132 -0.406 35.840 1.00 0.00 N ATOM 417 CA LEU A 27 4.909 0.764 36.690 1.00 0.00 C ATOM 418 C LEU A 27 3.669 0.573 37.570 1.00 0.00 C ATOM 419 O LEU A 27 3.627 1.042 38.708 1.00 0.00 O ATOM 420 CB LEU A 27 4.761 2.042 35.823 1.00 0.00 C ATOM 421 CG LEU A 27 6.123 2.754 35.644 1.00 0.00 C ATOM 422 CD1 LEU A 27 6.617 3.323 36.997 1.00 0.00 C ATOM 423 CD2 LEU A 27 7.164 1.779 35.077 1.00 0.00 C ATOM 0 H LEU A 27 5.052 -0.223 34.840 1.00 0.00 H new ATOM 0 HA LEU A 27 5.775 0.880 37.341 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.354 1.778 34.847 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.050 2.723 36.291 1.00 0.00 H new ATOM 0 HG LEU A 27 5.991 3.578 34.943 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.576 3.821 36.854 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.889 4.040 37.378 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.734 2.509 37.713 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.117 2.294 34.956 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.289 0.941 35.762 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.827 1.409 34.109 1.00 0.00 H new ATOM 435 N VAL A 28 2.657 -0.108 37.032 1.00 0.00 N ATOM 436 CA VAL A 28 1.418 -0.342 37.772 1.00 0.00 C ATOM 437 C VAL A 28 1.675 -1.144 39.048 1.00 0.00 C ATOM 438 O VAL A 28 1.075 -0.873 40.088 1.00 0.00 O ATOM 439 CB VAL A 28 0.394 -1.078 36.876 1.00 0.00 C ATOM 440 CG1 VAL A 28 0.644 -2.596 36.894 1.00 0.00 C ATOM 441 CG2 VAL A 28 -1.029 -0.804 37.379 1.00 0.00 C ATOM 0 H VAL A 28 2.671 -0.505 36.092 1.00 0.00 H new ATOM 0 HA VAL A 28 1.010 0.627 38.061 1.00 0.00 H new ATOM 0 HB VAL A 28 0.509 -0.709 35.857 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.088 -3.093 36.257 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.648 -2.804 36.524 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.549 -2.968 37.914 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.746 -1.325 36.744 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.127 -1.160 38.405 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.227 0.267 37.346 1.00 0.00 H new ATOM 451 N ILE A 29 2.559 -2.132 38.969 1.00 0.00 N ATOM 452 CA ILE A 29 2.868 -2.953 40.129 1.00 0.00 C ATOM 453 C ILE A 29 3.529 -2.129 41.231 1.00 0.00 C ATOM 454 O ILE A 29 3.188 -2.267 42.402 1.00 0.00 O ATOM 455 CB ILE A 29 3.780 -4.120 39.698 1.00 0.00 C ATOM 456 CG1 ILE A 29 2.959 -5.146 38.864 1.00 0.00 C ATOM 457 CG2 ILE A 29 4.382 -4.807 40.935 1.00 0.00 C ATOM 458 CD1 ILE A 29 3.821 -5.749 37.747 1.00 0.00 C ATOM 0 H ILE A 29 3.069 -2.381 38.121 1.00 0.00 H new ATOM 0 HA ILE A 29 1.938 -3.351 40.536 1.00 0.00 H new ATOM 0 HB ILE A 29 4.593 -3.729 39.086 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.590 -5.939 39.514 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.086 -4.656 38.433 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.024 -5.629 40.618 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.970 -4.085 41.502 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.579 -5.194 41.563 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.228 -6.464 37.176 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.168 -4.955 37.086 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.680 -6.258 38.185 1.00 0.00 H new ATOM 470 N LEU A 30 4.486 -1.285 40.858 1.00 0.00 N ATOM 471 CA LEU A 30 5.200 -0.477 41.839 1.00 0.00 C ATOM 472 C LEU A 30 4.226 0.335 42.683 1.00 0.00 C ATOM 473 O LEU A 30 4.386 0.440 43.899 1.00 0.00 O ATOM 474 CB LEU A 30 6.156 0.479 41.113 1.00 0.00 C ATOM 475 CG LEU A 30 7.142 1.122 42.118 1.00 0.00 C ATOM 476 CD1 LEU A 30 8.374 0.222 42.293 1.00 0.00 C ATOM 477 CD2 LEU A 30 7.594 2.496 41.600 1.00 0.00 C ATOM 0 H LEU A 30 4.783 -1.144 39.892 1.00 0.00 H new ATOM 0 HA LEU A 30 5.761 -1.143 42.495 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.710 -0.063 40.346 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.586 1.257 40.605 1.00 0.00 H new ATOM 0 HG LEU A 30 6.637 1.240 43.077 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.063 0.682 43.002 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.062 -0.752 42.670 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.873 0.097 41.332 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.288 2.943 42.312 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.090 2.377 40.637 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.726 3.145 41.483 1.00 0.00 H new ATOM 489 N LEU A 31 3.211 0.897 42.040 1.00 0.00 N ATOM 490 CA LEU A 31 2.217 1.683 42.757 1.00 0.00 C ATOM 491 C LEU A 31 1.471 0.796 43.748 1.00 0.00 C ATOM 492 O LEU A 31 1.230 1.192 44.888 1.00 0.00 O ATOM 493 CB LEU A 31 1.230 2.309 41.763 1.00 0.00 C ATOM 494 CG LEU A 31 1.925 3.415 40.943 1.00 0.00 C ATOM 495 CD1 LEU A 31 1.137 3.671 39.648 1.00 0.00 C ATOM 496 CD2 LEU A 31 1.990 4.722 41.753 1.00 0.00 C ATOM 0 H LEU A 31 3.055 0.825 41.035 1.00 0.00 H new ATOM 0 HA LEU A 31 2.720 2.480 43.305 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.841 1.541 41.094 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.378 2.726 42.300 1.00 0.00 H new ATOM 0 HG LEU A 31 2.937 3.087 40.706 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.630 4.453 39.071 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.098 2.755 39.059 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.124 3.987 39.895 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.483 5.493 41.161 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.980 5.046 42.002 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.553 4.554 42.671 1.00 0.00 H new ATOM 508 N GLY A 32 1.123 -0.412 43.316 1.00 0.00 N ATOM 509 CA GLY A 32 0.424 -1.345 44.191 1.00 0.00 C ATOM 510 C GLY A 32 1.341 -1.825 45.311 1.00 0.00 C ATOM 511 O GLY A 32 0.911 -1.994 46.452 1.00 0.00 O ATOM 0 H GLY A 32 1.311 -0.764 42.377 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.456 -0.862 44.617 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.071 -2.199 43.613 1.00 0.00 H new ATOM 515 N VAL A 33 2.604 -2.067 44.970 1.00 0.00 N ATOM 516 CA VAL A 33 3.566 -2.559 45.952 1.00 0.00 C ATOM 517 C VAL A 33 3.681 -1.580 47.122 1.00 0.00 C ATOM 518 O VAL A 33 3.673 -1.990 48.284 1.00 0.00 O ATOM 519 CB VAL A 33 4.944 -2.743 45.285 1.00 0.00 C ATOM 520 CG1 VAL A 33 6.024 -2.991 46.348 1.00 0.00 C ATOM 521 CG2 VAL A 33 4.903 -3.953 44.344 1.00 0.00 C ATOM 0 H VAL A 33 2.982 -1.932 44.032 1.00 0.00 H new ATOM 0 HA VAL A 33 3.219 -3.519 46.333 1.00 0.00 H new ATOM 0 HB VAL A 33 5.181 -1.837 44.728 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.991 -3.119 45.861 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.069 -2.139 47.027 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.780 -3.891 46.912 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.878 -4.081 43.874 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.654 -4.849 44.913 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.148 -3.791 43.575 1.00 0.00 H new ATOM 531 N VAL A 34 3.801 -0.291 46.814 1.00 0.00 N ATOM 532 CA VAL A 34 3.926 0.721 47.859 1.00 0.00 C ATOM 533 C VAL A 34 2.670 0.747 48.721 1.00 0.00 C ATOM 534 O VAL A 34 2.745 0.756 49.949 1.00 0.00 O ATOM 535 CB VAL A 34 4.146 2.104 47.229 1.00 0.00 C ATOM 536 CG1 VAL A 34 4.120 3.188 48.325 1.00 0.00 C ATOM 537 CG2 VAL A 34 5.497 2.133 46.497 1.00 0.00 C ATOM 0 H VAL A 34 3.814 0.074 45.862 1.00 0.00 H new ATOM 0 HA VAL A 34 4.782 0.470 48.485 1.00 0.00 H new ATOM 0 HB VAL A 34 3.348 2.302 46.513 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.277 4.167 47.872 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.154 3.172 48.830 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.911 2.992 49.049 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.649 3.116 46.052 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.299 1.928 47.206 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.503 1.375 45.714 1.00 0.00 H new ATOM 547 N GLY A 35 1.517 0.754 48.065 1.00 0.00 N ATOM 548 CA GLY A 35 0.248 0.770 48.777 1.00 0.00 C ATOM 549 C GLY A 35 0.066 -0.517 49.568 1.00 0.00 C ATOM 550 O GLY A 35 -0.501 -0.515 50.661 1.00 0.00 O ATOM 0 H GLY A 35 1.435 0.749 47.048 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.213 1.626 49.451 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.572 0.888 48.069 1.00 0.00 H new ATOM 554 N LEU A 36 0.565 -1.614 49.009 1.00 0.00 N ATOM 555 CA LEU A 36 0.470 -2.909 49.671 1.00 0.00 C ATOM 556 C LEU A 36 1.365 -2.953 50.911 1.00 0.00 C ATOM 557 O LEU A 36 0.978 -3.488 51.948 1.00 0.00 O ATOM 558 CB LEU A 36 0.869 -4.027 48.693 1.00 0.00 C ATOM 559 CG LEU A 36 -0.294 -4.329 47.727 1.00 0.00 C ATOM 560 CD1 LEU A 36 0.238 -5.109 46.520 1.00 0.00 C ATOM 561 CD2 LEU A 36 -1.383 -5.169 48.426 1.00 0.00 C ATOM 0 H LEU A 36 1.037 -1.633 48.105 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.562 -3.060 49.988 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.752 -3.728 48.128 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.134 -4.927 49.247 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.730 -3.383 47.405 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.582 -5.324 45.835 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.993 -4.514 46.006 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.682 -6.045 46.859 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.193 -5.370 47.725 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.954 -6.112 48.764 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.772 -4.619 49.283 1.00 0.00 H new ATOM 573 N SER A 37 2.568 -2.393 50.791 1.00 0.00 N ATOM 574 CA SER A 37 3.512 -2.380 51.905 1.00 0.00 C ATOM 575 C SER A 37 3.052 -1.427 53.003 1.00 0.00 C ATOM 576 O SER A 37 3.190 -1.712 54.188 1.00 0.00 O ATOM 577 CB SER A 37 4.894 -1.953 51.409 1.00 0.00 C ATOM 578 OG SER A 37 5.350 -2.887 50.441 1.00 0.00 O ATOM 0 H SER A 37 2.909 -1.946 49.940 1.00 0.00 H new ATOM 0 HA SER A 37 3.562 -3.387 52.318 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.845 -0.955 50.974 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.594 -1.904 52.243 1.00 0.00 H new ATOM 0 HG SER A 37 4.876 -2.740 49.596 1.00 0.00 H new ATOM 584 N ALA A 38 2.519 -0.285 52.585 1.00 0.00 N ATOM 585 CA ALA A 38 2.057 0.727 53.532 1.00 0.00 C ATOM 586 C ALA A 38 1.173 0.093 54.602 1.00 0.00 C ATOM 587 O ALA A 38 1.371 0.311 55.798 1.00 0.00 O ATOM 588 CB ALA A 38 1.269 1.812 52.795 1.00 0.00 C ATOM 0 H ALA A 38 2.396 -0.036 51.604 1.00 0.00 H new ATOM 0 HA ALA A 38 2.928 1.174 54.012 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.928 2.562 53.508 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.909 2.284 52.050 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.407 1.364 52.301 1.00 0.00 H new ATOM 594 N LEU A 39 0.205 -0.696 54.162 1.00 0.00 N ATOM 595 CA LEU A 39 -0.700 -1.362 55.095 1.00 0.00 C ATOM 596 C LEU A 39 0.082 -2.325 55.990 1.00 0.00 C ATOM 597 O LEU A 39 -0.159 -2.387 57.197 1.00 0.00 O ATOM 598 CB LEU A 39 -1.798 -2.121 54.332 1.00 0.00 C ATOM 599 CG LEU A 39 -2.822 -2.732 55.311 1.00 0.00 C ATOM 600 CD1 LEU A 39 -3.666 -1.628 55.969 1.00 0.00 C ATOM 601 CD2 LEU A 39 -3.747 -3.679 54.541 1.00 0.00 C ATOM 0 H LEU A 39 0.024 -0.891 53.177 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.173 -0.604 55.720 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.305 -1.443 53.645 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.349 -2.910 53.729 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.286 -3.275 56.089 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.382 -2.078 56.656 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.013 -0.950 56.519 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.202 -1.072 55.199 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.474 -4.115 55.227 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.270 -3.124 53.763 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.156 -4.474 54.085 1.00 0.00 H new ATOM 613 N THR A 40 1.005 -3.083 55.403 1.00 0.00 N ATOM 614 CA THR A 40 1.800 -4.043 56.172 1.00 0.00 C ATOM 615 C THR A 40 3.061 -3.376 56.731 1.00 0.00 C ATOM 616 O THR A 40 3.919 -4.033 57.319 1.00 0.00 O ATOM 617 CB THR A 40 2.185 -5.230 55.274 1.00 0.00 C ATOM 618 OG1 THR A 40 1.083 -5.554 54.438 1.00 0.00 O ATOM 619 CG2 THR A 40 2.543 -6.452 56.128 1.00 0.00 C ATOM 0 H THR A 40 1.221 -3.054 54.407 1.00 0.00 H new ATOM 0 HA THR A 40 1.203 -4.402 57.010 1.00 0.00 H new ATOM 0 HB THR A 40 3.050 -4.954 54.671 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.068 -4.948 53.668 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.813 -7.284 55.478 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.385 -6.209 56.776 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.685 -6.733 56.739 1.00 0.00 H new ATOM 627 N GLY A 41 3.176 -2.066 56.533 1.00 0.00 N ATOM 628 CA GLY A 41 4.346 -1.331 57.013 1.00 0.00 C ATOM 629 C GLY A 41 5.627 -2.113 56.731 1.00 0.00 C ATOM 630 O GLY A 41 6.197 -2.735 57.625 1.00 0.00 O ATOM 0 H GLY A 41 2.483 -1.495 56.049 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.394 -0.357 56.527 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.253 -1.149 58.084 1.00 0.00 H new ATOM 634 N TYR A 42 6.066 -2.079 55.477 1.00 0.00 N ATOM 635 CA TYR A 42 7.277 -2.797 55.093 1.00 0.00 C ATOM 636 C TYR A 42 7.775 -2.373 53.713 1.00 0.00 C ATOM 637 O TYR A 42 8.299 -3.192 52.961 1.00 0.00 O ATOM 638 CB TYR A 42 7.022 -4.309 55.113 1.00 0.00 C ATOM 639 CG TYR A 42 8.331 -5.046 54.937 1.00 0.00 C ATOM 640 CD1 TYR A 42 9.234 -5.120 56.005 1.00 0.00 C ATOM 641 CD2 TYR A 42 8.643 -5.648 53.712 1.00 0.00 C ATOM 642 CE1 TYR A 42 10.451 -5.798 55.845 1.00 0.00 C ATOM 643 CE2 TYR A 42 9.858 -6.324 53.554 1.00 0.00 C ATOM 644 CZ TYR A 42 10.762 -6.400 54.621 1.00 0.00 C ATOM 645 OH TYR A 42 11.959 -7.067 54.465 1.00 0.00 O ATOM 0 H TYR A 42 5.610 -1.571 54.719 1.00 0.00 H new ATOM 0 HA TYR A 42 8.051 -2.547 55.818 1.00 0.00 H new ATOM 0 HB2 TYR A 42 6.555 -4.597 56.055 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.329 -4.582 54.317 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.993 -4.656 56.950 1.00 0.00 H new ATOM 0 HD2 TYR A 42 7.946 -5.591 52.889 1.00 0.00 H new ATOM 0 HE1 TYR A 42 11.149 -5.856 56.667 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.099 -6.787 52.609 1.00 0.00 H new ATOM 0 HH TYR A 42 12.017 -7.427 53.555 1.00 0.00 H new ATOM 655 N LEU A 43 7.616 -1.097 53.379 1.00 0.00 N ATOM 656 CA LEU A 43 8.061 -0.572 52.090 1.00 0.00 C ATOM 657 C LEU A 43 9.587 -0.652 51.947 1.00 0.00 C ATOM 658 O LEU A 43 10.196 0.193 51.290 1.00 0.00 O ATOM 659 CB LEU A 43 7.619 0.893 51.947 1.00 0.00 C ATOM 660 CG LEU A 43 7.931 1.684 53.253 1.00 0.00 C ATOM 661 CD1 LEU A 43 8.528 3.055 52.912 1.00 0.00 C ATOM 662 CD2 LEU A 43 6.647 1.894 54.071 1.00 0.00 C ATOM 0 H LEU A 43 7.180 -0.403 53.986 1.00 0.00 H new ATOM 0 HA LEU A 43 7.609 -1.181 51.307 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.133 1.354 51.103 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.551 0.938 51.733 1.00 0.00 H new ATOM 0 HG LEU A 43 8.646 1.105 53.837 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.742 3.598 53.833 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.451 2.920 52.348 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.816 3.623 52.313 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.881 2.448 54.980 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.926 2.457 53.478 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.222 0.926 54.335 1.00 0.00 H new ATOM 674 N ASP A 44 10.203 -1.663 52.557 1.00 0.00 N ATOM 675 CA ASP A 44 11.654 -1.832 52.477 1.00 0.00 C ATOM 676 C ASP A 44 12.035 -2.615 51.221 1.00 0.00 C ATOM 677 O ASP A 44 13.127 -2.453 50.679 1.00 0.00 O ATOM 678 CB ASP A 44 12.153 -2.577 53.717 1.00 0.00 C ATOM 679 CG ASP A 44 13.676 -2.577 53.754 1.00 0.00 C ATOM 680 OD1 ASP A 44 14.270 -1.814 53.010 1.00 0.00 O ATOM 681 OD2 ASP A 44 14.230 -3.341 54.529 1.00 0.00 O ATOM 0 H ASP A 44 9.724 -2.374 53.109 1.00 0.00 H new ATOM 0 HA ASP A 44 12.118 -0.847 52.429 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.760 -2.104 54.617 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.782 -3.602 53.708 1.00 0.00 H new ATOM 686 N TYR A 45 11.120 -3.473 50.768 1.00 0.00 N ATOM 687 CA TYR A 45 11.347 -4.299 49.578 1.00 0.00 C ATOM 688 C TYR A 45 10.667 -3.691 48.351 1.00 0.00 C ATOM 689 O TYR A 45 9.966 -4.382 47.616 1.00 0.00 O ATOM 690 CB TYR A 45 10.823 -5.721 49.814 1.00 0.00 C ATOM 691 CG TYR A 45 11.084 -6.558 48.581 1.00 0.00 C ATOM 692 CD1 TYR A 45 12.398 -6.910 48.250 1.00 0.00 C ATOM 693 CD2 TYR A 45 10.024 -6.968 47.765 1.00 0.00 C ATOM 694 CE1 TYR A 45 12.650 -7.672 47.103 1.00 0.00 C ATOM 695 CE2 TYR A 45 10.275 -7.730 46.618 1.00 0.00 C ATOM 696 CZ TYR A 45 11.589 -8.082 46.288 1.00 0.00 C ATOM 697 OH TYR A 45 11.839 -8.833 45.156 1.00 0.00 O ATOM 0 H TYR A 45 10.211 -3.615 51.208 1.00 0.00 H new ATOM 0 HA TYR A 45 12.420 -4.338 49.392 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.315 -6.164 50.680 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.755 -5.697 50.032 1.00 0.00 H new ATOM 0 HD1 TYR A 45 13.217 -6.594 48.879 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.010 -6.696 48.021 1.00 0.00 H new ATOM 0 HE1 TYR A 45 13.664 -7.943 46.847 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.456 -8.046 45.989 1.00 0.00 H new ATOM 0 HH TYR A 45 10.993 -9.035 44.704 1.00 0.00 H new ATOM 707 N VAL A 46 10.881 -2.393 48.133 1.00 0.00 N ATOM 708 CA VAL A 46 10.291 -1.695 46.983 1.00 0.00 C ATOM 709 C VAL A 46 11.381 -1.192 46.043 1.00 0.00 C ATOM 710 O VAL A 46 11.151 -1.034 44.843 1.00 0.00 O ATOM 711 CB VAL A 46 9.443 -0.523 47.468 1.00 0.00 C ATOM 712 CG1 VAL A 46 8.635 0.039 46.299 1.00 0.00 C ATOM 713 CG2 VAL A 46 8.497 -1.013 48.566 1.00 0.00 C ATOM 0 H VAL A 46 11.456 -1.803 48.734 1.00 0.00 H new ATOM 0 HA VAL A 46 9.660 -2.396 46.438 1.00 0.00 H new ATOM 0 HB VAL A 46 10.087 0.262 47.866 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.029 0.876 46.645 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.314 0.381 45.518 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.985 -0.739 45.899 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.887 -0.181 48.919 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.850 -1.794 48.167 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.079 -1.413 49.396 1.00 0.00 H new ATOM 723 N LEU A 47 12.573 -0.965 46.583 1.00 0.00 N ATOM 724 CA LEU A 47 13.700 -0.509 45.770 1.00 0.00 C ATOM 725 C LEU A 47 14.383 -1.697 45.085 1.00 0.00 C ATOM 726 O LEU A 47 14.825 -1.593 43.940 1.00 0.00 O ATOM 727 CB LEU A 47 14.698 0.275 46.648 1.00 0.00 C ATOM 728 CG LEU A 47 14.312 1.770 46.690 1.00 0.00 C ATOM 729 CD1 LEU A 47 14.514 2.427 45.304 1.00 0.00 C ATOM 730 CD2 LEU A 47 12.843 1.902 47.130 1.00 0.00 C ATOM 0 H LEU A 47 12.786 -1.087 47.573 1.00 0.00 H new ATOM 0 HA LEU A 47 13.330 0.157 44.991 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.705 -0.135 47.658 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.707 0.164 46.252 1.00 0.00 H new ATOM 0 HG LEU A 47 14.956 2.283 47.405 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.236 3.480 45.356 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.560 2.342 45.010 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.888 1.923 44.568 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.566 2.956 47.161 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.202 1.379 46.420 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.719 1.465 48.121 1.00 0.00 H new ATOM 742 N LEU A 48 14.465 -2.824 45.785 1.00 0.00 N ATOM 743 CA LEU A 48 15.095 -4.020 45.225 1.00 0.00 C ATOM 744 C LEU A 48 14.475 -4.400 43.866 1.00 0.00 C ATOM 745 O LEU A 48 15.197 -4.548 42.883 1.00 0.00 O ATOM 746 CB LEU A 48 14.979 -5.204 46.227 1.00 0.00 C ATOM 747 CG LEU A 48 16.356 -5.595 46.799 1.00 0.00 C ATOM 748 CD1 LEU A 48 16.816 -4.543 47.811 1.00 0.00 C ATOM 749 CD2 LEU A 48 16.245 -6.954 47.496 1.00 0.00 C ATOM 0 H LEU A 48 14.107 -2.937 46.733 1.00 0.00 H new ATOM 0 HA LEU A 48 16.149 -3.799 45.056 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.310 -4.928 47.042 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.534 -6.064 45.726 1.00 0.00 H new ATOM 0 HG LEU A 48 17.081 -5.653 45.987 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.790 -4.825 48.212 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.893 -3.574 47.319 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.093 -4.480 48.624 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.217 -7.235 47.902 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.518 -6.889 48.306 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.921 -7.706 46.777 1.00 0.00 H new ATOM 761 N PRO A 49 13.175 -4.570 43.786 1.00 0.00 N ATOM 762 CA PRO A 49 12.507 -4.951 42.509 1.00 0.00 C ATOM 763 C PRO A 49 13.104 -4.224 41.299 1.00 0.00 C ATOM 764 O PRO A 49 13.224 -4.806 40.221 1.00 0.00 O ATOM 765 CB PRO A 49 11.046 -4.550 42.733 1.00 0.00 C ATOM 766 CG PRO A 49 10.831 -4.636 44.218 1.00 0.00 C ATOM 767 CD PRO A 49 12.205 -4.439 44.888 1.00 0.00 C ATOM 0 HA PRO A 49 12.631 -6.010 42.281 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.855 -3.542 42.366 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.369 -5.217 42.199 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.128 -3.872 44.550 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.405 -5.602 44.490 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.277 -3.462 45.366 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.380 -5.186 45.662 1.00 0.00 H new ATOM 775 N ALA A 50 13.478 -2.960 41.478 1.00 0.00 N ATOM 776 CA ALA A 50 14.060 -2.183 40.385 1.00 0.00 C ATOM 777 C ALA A 50 15.215 -2.940 39.742 1.00 0.00 C ATOM 778 O ALA A 50 15.439 -2.830 38.537 1.00 0.00 O ATOM 779 CB ALA A 50 14.558 -0.836 40.912 1.00 0.00 C ATOM 0 H ALA A 50 13.390 -2.455 42.360 1.00 0.00 H new ATOM 0 HA ALA A 50 13.290 -2.017 39.632 1.00 0.00 H new ATOM 0 HB1 ALA A 50 14.991 -0.262 40.092 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.723 -0.282 41.342 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.316 -1.002 41.678 1.00 0.00 H new ATOM 785 N LEU A 51 15.942 -3.720 40.530 1.00 0.00 N ATOM 786 CA LEU A 51 17.051 -4.487 39.980 1.00 0.00 C ATOM 787 C LEU A 51 16.537 -5.480 38.936 1.00 0.00 C ATOM 788 O LEU A 51 17.150 -5.654 37.885 1.00 0.00 O ATOM 789 CB LEU A 51 17.792 -5.238 41.103 1.00 0.00 C ATOM 790 CG LEU A 51 18.842 -4.328 41.755 1.00 0.00 C ATOM 791 CD1 LEU A 51 18.157 -3.141 42.433 1.00 0.00 C ATOM 792 CD2 LEU A 51 19.624 -5.130 42.797 1.00 0.00 C ATOM 0 H LEU A 51 15.789 -3.838 41.532 1.00 0.00 H new ATOM 0 HA LEU A 51 17.747 -3.798 39.501 1.00 0.00 H new ATOM 0 HB2 LEU A 51 17.079 -5.577 41.854 1.00 0.00 H new ATOM 0 HB3 LEU A 51 18.274 -6.127 40.697 1.00 0.00 H new ATOM 0 HG LEU A 51 19.522 -3.955 40.989 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.910 -2.501 42.893 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.599 -2.570 41.691 1.00 0.00 H new ATOM 0 HD13 LEU A 51 17.473 -3.505 43.200 1.00 0.00 H new ATOM 0 HD21 LEU A 51 20.372 -4.489 43.264 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.939 -5.502 43.559 1.00 0.00 H new ATOM 0 HD23 LEU A 51 20.119 -5.971 42.312 1.00 0.00 H new ATOM 804 N ALA A 52 15.416 -6.127 39.224 1.00 0.00 N ATOM 805 CA ALA A 52 14.853 -7.097 38.289 1.00 0.00 C ATOM 806 C ALA A 52 14.533 -6.440 36.947 1.00 0.00 C ATOM 807 O ALA A 52 14.786 -7.014 35.889 1.00 0.00 O ATOM 808 CB ALA A 52 13.577 -7.706 38.873 1.00 0.00 C ATOM 0 H ALA A 52 14.883 -6.002 40.085 1.00 0.00 H new ATOM 0 HA ALA A 52 15.593 -7.880 38.127 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.163 -8.428 38.169 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.810 -8.207 39.813 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.847 -6.917 39.054 1.00 0.00 H new ATOM 814 N ILE A 53 13.972 -5.236 36.999 1.00 0.00 N ATOM 815 CA ILE A 53 13.620 -4.517 35.778 1.00 0.00 C ATOM 816 C ILE A 53 14.881 -4.193 34.978 1.00 0.00 C ATOM 817 O ILE A 53 14.924 -4.400 33.764 1.00 0.00 O ATOM 818 CB ILE A 53 12.854 -3.221 36.133 1.00 0.00 C ATOM 819 CG1 ILE A 53 11.392 -3.553 36.496 1.00 0.00 C ATOM 820 CG2 ILE A 53 12.863 -2.255 34.935 1.00 0.00 C ATOM 821 CD1 ILE A 53 11.313 -4.129 37.913 1.00 0.00 C ATOM 0 H ILE A 53 13.753 -4.741 37.864 1.00 0.00 H new ATOM 0 HA ILE A 53 12.975 -5.147 35.165 1.00 0.00 H new ATOM 0 HB ILE A 53 13.346 -2.752 36.985 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.780 -2.654 36.427 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.987 -4.270 35.782 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.321 -1.346 35.196 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.892 -2.003 34.679 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.382 -2.731 34.080 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.275 -4.358 38.155 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.909 -5.040 37.969 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.699 -3.399 38.625 1.00 0.00 H new ATOM 833 N PHE A 54 15.903 -3.691 35.657 1.00 0.00 N ATOM 834 CA PHE A 54 17.153 -3.359 34.985 1.00 0.00 C ATOM 835 C PHE A 54 17.804 -4.625 34.433 1.00 0.00 C ATOM 836 O PHE A 54 18.263 -4.649 33.292 1.00 0.00 O ATOM 837 CB PHE A 54 18.104 -2.643 35.961 1.00 0.00 C ATOM 838 CG PHE A 54 17.772 -1.164 36.016 1.00 0.00 C ATOM 839 CD1 PHE A 54 16.480 -0.749 36.362 1.00 0.00 C ATOM 840 CD2 PHE A 54 18.756 -0.213 35.715 1.00 0.00 C ATOM 841 CE1 PHE A 54 16.172 0.616 36.407 1.00 0.00 C ATOM 842 CE2 PHE A 54 18.447 1.150 35.759 1.00 0.00 C ATOM 843 CZ PHE A 54 17.155 1.566 36.105 1.00 0.00 C ATOM 0 H PHE A 54 15.894 -3.506 36.660 1.00 0.00 H new ATOM 0 HA PHE A 54 16.941 -2.688 34.153 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.016 -3.081 36.955 1.00 0.00 H new ATOM 0 HB3 PHE A 54 19.137 -2.781 35.642 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.721 -1.482 36.594 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.753 -0.533 35.449 1.00 0.00 H new ATOM 0 HE1 PHE A 54 15.176 0.936 36.675 1.00 0.00 H new ATOM 0 HE2 PHE A 54 19.205 1.883 35.526 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.917 2.619 36.139 1.00 0.00 H new ATOM 853 N ILE A 55 17.836 -5.676 35.241 1.00 0.00 N ATOM 854 CA ILE A 55 18.427 -6.933 34.805 1.00 0.00 C ATOM 855 C ILE A 55 17.623 -7.508 33.640 1.00 0.00 C ATOM 856 O ILE A 55 18.187 -7.985 32.657 1.00 0.00 O ATOM 857 CB ILE A 55 18.456 -7.928 35.970 1.00 0.00 C ATOM 858 CG1 ILE A 55 19.437 -7.426 37.035 1.00 0.00 C ATOM 859 CG2 ILE A 55 18.930 -9.301 35.478 1.00 0.00 C ATOM 860 CD1 ILE A 55 19.252 -8.235 38.320 1.00 0.00 C ATOM 0 H ILE A 55 17.464 -5.684 36.191 1.00 0.00 H new ATOM 0 HA ILE A 55 19.449 -6.751 34.472 1.00 0.00 H new ATOM 0 HB ILE A 55 17.453 -8.016 36.387 1.00 0.00 H new ATOM 0 HG12 ILE A 55 20.462 -7.523 36.676 1.00 0.00 H new ATOM 0 HG13 ILE A 55 19.267 -6.367 37.231 1.00 0.00 H new ATOM 0 HG21 ILE A 55 18.947 -10.001 36.313 1.00 0.00 H new ATOM 0 HG22 ILE A 55 18.248 -9.668 34.711 1.00 0.00 H new ATOM 0 HG23 ILE A 55 19.932 -9.211 35.059 1.00 0.00 H new ATOM 0 HD11 ILE A 55 19.949 -7.879 39.078 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.231 -8.115 38.682 1.00 0.00 H new ATOM 0 HD13 ILE A 55 19.444 -9.289 38.117 1.00 0.00 H new ATOM 872 N GLY A 56 16.296 -7.454 33.762 1.00 0.00 N ATOM 873 CA GLY A 56 15.411 -7.968 32.720 1.00 0.00 C ATOM 874 C GLY A 56 15.512 -7.133 31.440 1.00 0.00 C ATOM 875 O GLY A 56 15.439 -7.663 30.333 1.00 0.00 O ATOM 0 H GLY A 56 15.813 -7.061 34.570 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.667 -9.005 32.501 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.382 -7.963 33.079 1.00 0.00 H new ATOM 879 N LEU A 57 15.658 -5.823 31.601 1.00 0.00 N ATOM 880 CA LEU A 57 15.750 -4.933 30.445 1.00 0.00 C ATOM 881 C LEU A 57 17.011 -5.237 29.632 1.00 0.00 C ATOM 882 O LEU A 57 16.970 -5.301 28.404 1.00 0.00 O ATOM 883 CB LEU A 57 15.763 -3.469 30.912 1.00 0.00 C ATOM 884 CG LEU A 57 15.828 -2.521 29.702 1.00 0.00 C ATOM 885 CD1 LEU A 57 14.570 -2.682 28.829 1.00 0.00 C ATOM 886 CD2 LEU A 57 15.928 -1.075 30.205 1.00 0.00 C ATOM 0 H LEU A 57 15.715 -5.356 32.506 1.00 0.00 H new ATOM 0 HA LEU A 57 14.881 -5.097 29.808 1.00 0.00 H new ATOM 0 HB2 LEU A 57 14.868 -3.260 31.498 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.619 -3.296 31.564 1.00 0.00 H new ATOM 0 HG LEU A 57 16.703 -2.765 29.099 1.00 0.00 H new ATOM 0 HD11 LEU A 57 14.630 -2.005 27.977 1.00 0.00 H new ATOM 0 HD12 LEU A 57 14.504 -3.710 28.472 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.685 -2.445 29.419 1.00 0.00 H new ATOM 0 HD21 LEU A 57 15.975 -0.396 29.354 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.053 -0.839 30.810 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.828 -0.961 30.809 1.00 0.00 H new ATOM 898 N THR A 58 18.130 -5.403 30.325 1.00 0.00 N ATOM 899 CA THR A 58 19.404 -5.675 29.658 1.00 0.00 C ATOM 900 C THR A 58 19.303 -6.900 28.748 1.00 0.00 C ATOM 901 O THR A 58 19.745 -6.859 27.599 1.00 0.00 O ATOM 902 CB THR A 58 20.495 -5.908 30.707 1.00 0.00 C ATOM 903 OG1 THR A 58 20.005 -6.807 31.691 1.00 0.00 O ATOM 904 CG2 THR A 58 20.885 -4.584 31.375 1.00 0.00 C ATOM 0 H THR A 58 18.186 -5.355 31.342 1.00 0.00 H new ATOM 0 HA THR A 58 19.656 -4.811 29.043 1.00 0.00 H new ATOM 0 HB THR A 58 21.376 -6.327 30.221 1.00 0.00 H new ATOM 0 HG1 THR A 58 19.060 -7.000 31.516 1.00 0.00 H new ATOM 0 HG21 THR A 58 21.661 -4.766 32.118 1.00 0.00 H new ATOM 0 HG22 THR A 58 21.260 -3.892 30.621 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.011 -4.151 31.862 1.00 0.00 H new ATOM 912 N ILE A 59 18.724 -7.983 29.248 1.00 0.00 N ATOM 913 CA ILE A 59 18.584 -9.191 28.438 1.00 0.00 C ATOM 914 C ILE A 59 17.548 -8.976 27.333 1.00 0.00 C ATOM 915 O ILE A 59 17.696 -9.464 26.217 1.00 0.00 O ATOM 916 CB ILE A 59 18.192 -10.376 29.327 1.00 0.00 C ATOM 917 CG1 ILE A 59 16.941 -10.025 30.126 1.00 0.00 C ATOM 918 CG2 ILE A 59 19.334 -10.680 30.301 1.00 0.00 C ATOM 919 CD1 ILE A 59 16.536 -11.215 31.002 1.00 0.00 C ATOM 0 H ILE A 59 18.349 -8.053 30.194 1.00 0.00 H new ATOM 0 HA ILE A 59 19.541 -9.413 27.967 1.00 0.00 H new ATOM 0 HB ILE A 59 17.996 -11.246 28.700 1.00 0.00 H new ATOM 0 HG12 ILE A 59 17.129 -9.150 30.749 1.00 0.00 H new ATOM 0 HG13 ILE A 59 16.127 -9.765 29.449 1.00 0.00 H new ATOM 0 HG21 ILE A 59 19.057 -11.523 30.935 1.00 0.00 H new ATOM 0 HG22 ILE A 59 20.235 -10.928 29.740 1.00 0.00 H new ATOM 0 HG23 ILE A 59 19.524 -9.805 30.923 1.00 0.00 H new ATOM 0 HD11 ILE A 59 15.642 -10.960 31.571 1.00 0.00 H new ATOM 0 HD12 ILE A 59 16.330 -12.079 30.370 1.00 0.00 H new ATOM 0 HD13 ILE A 59 17.348 -11.454 31.689 1.00 0.00 H new ATOM 931 N TYR A 60 16.490 -8.243 27.670 1.00 0.00 N ATOM 932 CA TYR A 60 15.410 -7.963 26.726 1.00 0.00 C ATOM 933 C TYR A 60 15.938 -7.357 25.428 1.00 0.00 C ATOM 934 O TYR A 60 15.396 -7.619 24.354 1.00 0.00 O ATOM 935 CB TYR A 60 14.397 -7.006 27.356 1.00 0.00 C ATOM 936 CG TYR A 60 13.271 -6.758 26.377 1.00 0.00 C ATOM 937 CD1 TYR A 60 12.399 -7.804 26.048 1.00 0.00 C ATOM 938 CD2 TYR A 60 13.097 -5.494 25.801 1.00 0.00 C ATOM 939 CE1 TYR A 60 11.354 -7.584 25.143 1.00 0.00 C ATOM 940 CE2 TYR A 60 12.051 -5.275 24.895 1.00 0.00 C ATOM 941 CZ TYR A 60 11.180 -6.320 24.566 1.00 0.00 C ATOM 942 OH TYR A 60 10.149 -6.104 23.674 1.00 0.00 O ATOM 0 H TYR A 60 16.357 -7.830 28.593 1.00 0.00 H new ATOM 0 HA TYR A 60 14.928 -8.911 26.489 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.004 -7.430 28.280 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.881 -6.065 27.617 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.533 -8.779 26.492 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.769 -4.688 26.055 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.681 -8.390 24.890 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.917 -4.300 24.451 1.00 0.00 H new ATOM 0 HH TYR A 60 9.330 -5.887 24.167 1.00 0.00 H new ATOM 952 N ALA A 61 16.980 -6.542 25.524 1.00 0.00 N ATOM 953 CA ALA A 61 17.545 -5.909 24.337 1.00 0.00 C ATOM 954 C ALA A 61 17.962 -6.962 23.314 1.00 0.00 C ATOM 955 O ALA A 61 17.698 -6.821 22.120 1.00 0.00 O ATOM 956 CB ALA A 61 18.757 -5.064 24.734 1.00 0.00 C ATOM 0 H ALA A 61 17.447 -6.305 26.399 1.00 0.00 H new ATOM 0 HA ALA A 61 16.786 -5.269 23.886 1.00 0.00 H new ATOM 0 HB1 ALA A 61 19.178 -4.592 23.846 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.448 -4.295 25.442 1.00 0.00 H new ATOM 0 HB3 ALA A 61 19.510 -5.702 25.197 1.00 0.00 H new ATOM 962 N ILE A 62 18.619 -8.014 23.788 1.00 0.00 N ATOM 963 CA ILE A 62 19.079 -9.086 22.911 1.00 0.00 C ATOM 964 C ILE A 62 17.909 -9.652 22.094 1.00 0.00 C ATOM 965 O ILE A 62 18.099 -10.106 20.966 1.00 0.00 O ATOM 966 CB ILE A 62 19.732 -10.208 23.754 1.00 0.00 C ATOM 967 CG1 ILE A 62 21.175 -9.824 24.113 1.00 0.00 C ATOM 968 CG2 ILE A 62 19.747 -11.535 22.973 1.00 0.00 C ATOM 969 CD1 ILE A 62 21.175 -8.584 25.009 1.00 0.00 C ATOM 0 H ILE A 62 18.845 -8.148 24.773 1.00 0.00 H new ATOM 0 HA ILE A 62 19.818 -8.681 22.219 1.00 0.00 H new ATOM 0 HB ILE A 62 19.145 -10.334 24.664 1.00 0.00 H new ATOM 0 HG12 ILE A 62 21.665 -10.653 24.624 1.00 0.00 H new ATOM 0 HG13 ILE A 62 21.745 -9.628 23.205 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.210 -12.311 23.583 1.00 0.00 H new ATOM 0 HG22 ILE A 62 18.725 -11.826 22.730 1.00 0.00 H new ATOM 0 HG23 ILE A 62 20.317 -11.409 22.052 1.00 0.00 H new ATOM 0 HD11 ILE A 62 22.201 -8.317 25.260 1.00 0.00 H new ATOM 0 HD12 ILE A 62 20.702 -7.755 24.483 1.00 0.00 H new ATOM 0 HD13 ILE A 62 20.621 -8.796 25.924 1.00 0.00 H new ATOM 981 N GLN A 63 16.710 -9.634 22.674 1.00 0.00 N ATOM 982 CA GLN A 63 15.535 -10.163 21.985 1.00 0.00 C ATOM 983 C GLN A 63 15.137 -9.270 20.811 1.00 0.00 C ATOM 984 O GLN A 63 14.814 -9.752 19.726 1.00 0.00 O ATOM 985 CB GLN A 63 14.361 -10.263 22.961 1.00 0.00 C ATOM 986 CG GLN A 63 14.777 -11.119 24.159 1.00 0.00 C ATOM 987 CD GLN A 63 13.559 -11.447 25.017 1.00 0.00 C ATOM 988 OE1 GLN A 63 13.516 -11.100 26.197 1.00 0.00 O ATOM 989 NE2 GLN A 63 12.565 -12.108 24.491 1.00 0.00 N ATOM 0 H GLN A 63 16.528 -9.264 23.607 1.00 0.00 H new ATOM 0 HA GLN A 63 15.786 -11.152 21.602 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.064 -9.269 23.294 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.497 -10.705 22.465 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.246 -12.040 23.812 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.519 -10.588 24.755 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.604 -12.394 23.513 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.749 -12.339 25.058 1.00 0.00 H new ATOM 998 N ARG A 64 15.179 -7.961 21.045 1.00 0.00 N ATOM 999 CA ARG A 64 14.840 -6.976 20.023 1.00 0.00 C ATOM 1000 C ARG A 64 15.960 -6.825 18.999 1.00 0.00 C ATOM 1001 O ARG A 64 15.734 -6.345 17.889 1.00 0.00 O ATOM 1002 CB ARG A 64 14.519 -5.614 20.657 1.00 0.00 C ATOM 1003 CG ARG A 64 13.154 -5.675 21.356 1.00 0.00 C ATOM 1004 CD ARG A 64 12.701 -4.261 21.722 1.00 0.00 C ATOM 1005 NE ARG A 64 13.554 -3.696 22.765 1.00 0.00 N ATOM 1006 CZ ARG A 64 13.623 -2.382 22.947 1.00 0.00 C ATOM 1007 NH1 ARG A 64 12.935 -1.578 22.184 1.00 0.00 N ATOM 1008 NH2 ARG A 64 14.381 -1.895 23.892 1.00 0.00 N ATOM 0 H ARG A 64 15.447 -7.556 21.942 1.00 0.00 H new ATOM 0 HA ARG A 64 13.952 -7.340 19.506 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.294 -5.345 21.375 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.511 -4.839 19.891 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.420 -6.145 20.702 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.221 -6.290 22.253 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.731 -3.625 20.838 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.666 -4.283 22.064 1.00 0.00 H new ATOM 0 HE ARG A 64 14.102 -4.317 23.360 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.342 -1.958 21.446 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.990 -0.569 22.326 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.919 -2.523 24.489 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.435 -0.886 24.033 1.00 0.00 H new ATOM 1022 N LYS A 65 17.174 -7.179 19.397 1.00 0.00 N ATOM 1023 CA LYS A 65 18.324 -7.012 18.519 1.00 0.00 C ATOM 1024 C LYS A 65 18.028 -7.575 17.130 1.00 0.00 C ATOM 1025 O LYS A 65 18.291 -6.909 16.129 1.00 0.00 O ATOM 1026 CB LYS A 65 19.530 -7.749 19.117 1.00 0.00 C ATOM 1027 CG LYS A 65 20.833 -7.186 18.540 1.00 0.00 C ATOM 1028 CD LYS A 65 22.021 -7.874 19.216 1.00 0.00 C ATOM 1029 CE LYS A 65 23.323 -7.228 18.739 1.00 0.00 C ATOM 1030 NZ LYS A 65 24.471 -7.814 19.487 1.00 0.00 N ATOM 0 H LYS A 65 17.387 -7.579 20.311 1.00 0.00 H new ATOM 0 HA LYS A 65 18.542 -5.948 18.427 1.00 0.00 H new ATOM 0 HB2 LYS A 65 19.529 -7.644 20.202 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.458 -8.815 18.900 1.00 0.00 H new ATOM 0 HG2 LYS A 65 20.868 -7.349 17.463 1.00 0.00 H new ATOM 0 HG3 LYS A 65 20.881 -6.109 18.701 1.00 0.00 H new ATOM 0 HD2 LYS A 65 21.936 -7.789 20.299 1.00 0.00 H new ATOM 0 HD3 LYS A 65 22.022 -8.938 18.979 1.00 0.00 H new ATOM 0 HE2 LYS A 65 23.451 -7.390 17.669 1.00 0.00 H new ATOM 0 HE3 LYS A 65 23.285 -6.150 18.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 25.357 -7.375 19.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 24.349 -7.637 20.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 24.510 -8.839 19.316 1.00 0.00 H new ATOM 1044 N ARG A 66 17.462 -8.776 17.052 1.00 0.00 N ATOM 1045 CA ARG A 66 17.126 -9.348 15.754 1.00 0.00 C ATOM 1046 C ARG A 66 15.965 -8.564 15.130 1.00 0.00 C ATOM 1047 O ARG A 66 15.992 -8.230 13.945 1.00 0.00 O ATOM 1048 CB ARG A 66 16.767 -10.849 15.933 1.00 0.00 C ATOM 1049 CG ARG A 66 15.662 -11.292 14.959 1.00 0.00 C ATOM 1050 CD ARG A 66 15.491 -12.809 15.021 1.00 0.00 C ATOM 1051 NE ARG A 66 15.282 -13.237 16.401 1.00 0.00 N ATOM 1052 CZ ARG A 66 14.128 -13.021 17.024 1.00 0.00 C ATOM 1053 NH1 ARG A 66 13.158 -12.405 16.406 1.00 0.00 N ATOM 1054 NH2 ARG A 66 13.966 -13.427 18.254 1.00 0.00 N ATOM 0 H ARG A 66 17.231 -9.361 17.855 1.00 0.00 H new ATOM 0 HA ARG A 66 17.979 -9.278 15.080 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.657 -11.457 15.774 1.00 0.00 H new ATOM 0 HB3 ARG A 66 16.440 -11.025 16.958 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.723 -10.801 15.213 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.916 -10.987 13.944 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.643 -13.112 14.406 1.00 0.00 H new ATOM 0 HD3 ARG A 66 16.374 -13.299 14.610 1.00 0.00 H new ATOM 0 HE ARG A 66 16.037 -13.711 16.897 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.285 -12.089 15.445 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.272 -12.239 16.884 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.725 -13.909 18.736 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.081 -13.262 18.733 1.00 0.00 H new ATOM 1068 N GLN A 67 14.941 -8.297 15.937 1.00 0.00 N ATOM 1069 CA GLN A 67 13.763 -7.582 15.455 1.00 0.00 C ATOM 1070 C GLN A 67 14.154 -6.237 14.855 1.00 0.00 C ATOM 1071 O GLN A 67 13.469 -5.725 13.971 1.00 0.00 O ATOM 1072 CB GLN A 67 12.766 -7.374 16.602 1.00 0.00 C ATOM 1073 CG GLN A 67 11.385 -7.012 16.040 1.00 0.00 C ATOM 1074 CD GLN A 67 10.796 -8.211 15.302 1.00 0.00 C ATOM 1075 OE1 GLN A 67 11.314 -9.321 15.423 1.00 0.00 O ATOM 1076 NE2 GLN A 67 9.745 -8.057 14.546 1.00 0.00 N ATOM 0 H GLN A 67 14.903 -8.563 16.921 1.00 0.00 H new ATOM 0 HA GLN A 67 13.293 -8.183 14.677 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.697 -8.281 17.203 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.118 -6.581 17.261 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.721 -6.710 16.850 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.469 -6.162 15.363 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.318 -7.136 14.448 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.350 -8.858 14.053 1.00 0.00 H new ATOM 1085 N ALA A 68 15.231 -5.648 15.360 1.00 0.00 N ATOM 1086 CA ALA A 68 15.662 -4.337 14.887 1.00 0.00 C ATOM 1087 C ALA A 68 15.582 -4.261 13.365 1.00 0.00 C ATOM 1088 O ALA A 68 15.111 -3.269 12.810 1.00 0.00 O ATOM 1089 CB ALA A 68 17.107 -4.090 15.326 1.00 0.00 C ATOM 0 H ALA A 68 15.818 -6.052 16.090 1.00 0.00 H new ATOM 0 HA ALA A 68 15.004 -3.579 15.313 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.432 -3.111 14.974 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.167 -4.123 16.414 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.752 -4.860 14.903 1.00 0.00 H new ATOM 1095 N ASP A 69 16.006 -5.325 12.693 1.00 0.00 N ATOM 1096 CA ASP A 69 15.942 -5.377 11.237 1.00 0.00 C ATOM 1097 C ASP A 69 14.495 -5.284 10.755 1.00 0.00 C ATOM 1098 O ASP A 69 14.193 -4.550 9.814 1.00 0.00 O ATOM 1099 CB ASP A 69 16.550 -6.693 10.750 1.00 0.00 C ATOM 1100 CG ASP A 69 18.062 -6.667 10.951 1.00 0.00 C ATOM 1101 OD1 ASP A 69 18.575 -5.607 11.270 1.00 0.00 O ATOM 1102 OD2 ASP A 69 18.683 -7.704 10.786 1.00 0.00 O ATOM 0 H ASP A 69 16.396 -6.160 13.130 1.00 0.00 H new ATOM 0 HA ASP A 69 16.501 -4.532 10.834 1.00 0.00 H new ATOM 0 HB2 ASP A 69 16.115 -7.530 11.297 1.00 0.00 H new ATOM 0 HB3 ASP A 69 16.316 -6.845 9.696 1.00 0.00 H new ATOM 1107 N ALA A 70 13.602 -6.031 11.400 1.00 0.00 N ATOM 1108 CA ALA A 70 12.193 -6.017 11.015 1.00 0.00 C ATOM 1109 C ALA A 70 11.529 -4.700 11.417 1.00 0.00 C ATOM 1110 O ALA A 70 10.899 -4.033 10.596 1.00 0.00 O ATOM 1111 CB ALA A 70 11.463 -7.189 11.680 1.00 0.00 C ATOM 0 H ALA A 70 13.825 -6.647 12.182 1.00 0.00 H new ATOM 0 HA ALA A 70 12.132 -6.115 9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.412 -7.175 11.390 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.915 -8.128 11.360 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.542 -7.099 12.763 1.00 0.00 H new ATOM 1117 N SER A 71 11.672 -4.334 12.687 1.00 0.00 N ATOM 1118 CA SER A 71 11.080 -3.100 13.196 1.00 0.00 C ATOM 1119 C SER A 71 11.610 -1.890 12.435 1.00 0.00 C ATOM 1120 O SER A 71 10.856 -0.980 12.089 1.00 0.00 O ATOM 1121 CB SER A 71 11.408 -2.944 14.679 1.00 0.00 C ATOM 1122 OG SER A 71 12.820 -2.913 14.839 1.00 0.00 O ATOM 0 H SER A 71 12.191 -4.872 13.381 1.00 0.00 H new ATOM 0 HA SER A 71 10.000 -3.157 13.058 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.965 -2.028 15.068 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.983 -3.771 15.248 1.00 0.00 H new ATOM 0 HG SER A 71 13.039 -2.812 15.789 1.00 0.00 H new ATOM 1128 N SER A 72 12.912 -1.882 12.175 1.00 0.00 N ATOM 1129 CA SER A 72 13.526 -0.773 11.455 1.00 0.00 C ATOM 1130 C SER A 72 13.097 -0.779 9.991 1.00 0.00 C ATOM 1131 O SER A 72 12.258 0.021 9.579 1.00 0.00 O ATOM 1132 CB SER A 72 15.049 -0.863 11.550 1.00 0.00 C ATOM 1133 OG SER A 72 15.623 0.310 10.990 1.00 0.00 O ATOM 0 H SER A 72 13.557 -2.623 12.449 1.00 0.00 H new ATOM 0 HA SER A 72 13.193 0.159 11.912 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.355 -0.970 12.591 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.407 -1.746 11.020 1.00 0.00 H new ATOM 0 HG SER A 72 16.600 0.257 11.050 1.00 0.00 H new ATOM 1139 N THR A 73 13.676 -1.685 9.201 1.00 0.00 N ATOM 1140 CA THR A 73 13.337 -1.774 7.778 1.00 0.00 C ATOM 1141 C THR A 73 13.240 -3.244 7.329 1.00 0.00 C ATOM 1142 O THR A 73 14.232 -3.969 7.393 1.00 0.00 O ATOM 1143 CB THR A 73 14.415 -1.064 6.948 1.00 0.00 C ATOM 1144 OG1 THR A 73 14.459 -1.630 5.646 1.00 0.00 O ATOM 1145 CG2 THR A 73 15.780 -1.222 7.621 1.00 0.00 C ATOM 0 H THR A 73 14.373 -2.360 9.516 1.00 0.00 H new ATOM 0 HA THR A 73 12.370 -1.295 7.624 1.00 0.00 H new ATOM 0 HB THR A 73 14.172 -0.004 6.878 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.146 -1.176 5.115 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.540 -0.715 7.026 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.747 -0.783 8.618 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.027 -2.281 7.699 1.00 0.00 H new ATOM 1153 N PRO A 74 12.085 -3.710 6.876 1.00 0.00 N ATOM 1154 CA PRO A 74 11.930 -5.126 6.428 1.00 0.00 C ATOM 1155 C PRO A 74 12.546 -5.368 5.050 1.00 0.00 C ATOM 1156 O PRO A 74 12.083 -4.827 4.045 1.00 0.00 O ATOM 1157 CB PRO A 74 10.409 -5.336 6.403 1.00 0.00 C ATOM 1158 CG PRO A 74 9.830 -3.981 6.146 1.00 0.00 C ATOM 1159 CD PRO A 74 10.813 -2.963 6.744 1.00 0.00 C ATOM 0 HA PRO A 74 12.446 -5.823 7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.122 -6.041 5.623 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.052 -5.744 7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.699 -3.812 5.077 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.846 -3.886 6.606 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.928 -2.094 6.096 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.466 -2.596 7.710 1.00 0.00 H new ATOM 1167 N LYS A 75 13.590 -6.189 5.018 1.00 0.00 N ATOM 1168 CA LYS A 75 14.265 -6.510 3.767 1.00 0.00 C ATOM 1169 C LYS A 75 13.411 -7.436 2.907 1.00 0.00 C ATOM 1170 O LYS A 75 13.440 -7.356 1.679 1.00 0.00 O ATOM 1171 CB LYS A 75 15.614 -7.173 4.060 1.00 0.00 C ATOM 1172 CG LYS A 75 15.405 -8.387 4.969 1.00 0.00 C ATOM 1173 CD LYS A 75 16.763 -8.976 5.362 1.00 0.00 C ATOM 1174 CE LYS A 75 16.562 -10.165 6.309 1.00 0.00 C ATOM 1175 NZ LYS A 75 17.752 -11.059 6.248 1.00 0.00 N ATOM 0 H LYS A 75 13.986 -6.643 5.841 1.00 0.00 H new ATOM 0 HA LYS A 75 14.426 -5.583 3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.089 -7.481 3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.285 -6.459 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.852 -8.094 5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.806 -9.139 4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 75 17.302 -9.297 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 75 17.373 -8.214 5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.413 -9.810 7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.665 -10.717 6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.614 -11.865 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.874 -11.408 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 18.600 -10.529 6.534 1.00 0.00 H new ATOM 1189 N PHE A 76 12.651 -8.316 3.556 1.00 0.00 N ATOM 1190 CA PHE A 76 11.790 -9.246 2.830 1.00 0.00 C ATOM 1191 C PHE A 76 10.664 -8.497 2.125 1.00 0.00 C ATOM 1192 O PHE A 76 10.453 -8.659 0.924 1.00 0.00 O ATOM 1193 CB PHE A 76 11.208 -10.277 3.800 1.00 0.00 C ATOM 1194 CG PHE A 76 10.609 -9.565 4.989 1.00 0.00 C ATOM 1195 CD1 PHE A 76 11.428 -9.208 6.067 1.00 0.00 C ATOM 1196 CD2 PHE A 76 9.244 -9.259 5.015 1.00 0.00 C ATOM 1197 CE1 PHE A 76 10.880 -8.545 7.172 1.00 0.00 C ATOM 1198 CE2 PHE A 76 8.696 -8.595 6.119 1.00 0.00 C ATOM 1199 CZ PHE A 76 9.514 -8.239 7.198 1.00 0.00 C ATOM 0 H PHE A 76 12.614 -8.404 4.571 1.00 0.00 H new ATOM 0 HA PHE A 76 12.387 -9.759 2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.447 -10.875 3.299 1.00 0.00 H new ATOM 0 HB3 PHE A 76 11.988 -10.964 4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 76 12.482 -9.444 6.046 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.613 -9.535 4.183 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.511 -8.270 8.004 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.643 -8.357 6.138 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.091 -7.728 8.051 1.00 0.00 H new ATOM 1209 N ASN A 77 9.950 -7.668 2.880 1.00 0.00 N ATOM 1210 CA ASN A 77 8.854 -6.885 2.320 1.00 0.00 C ATOM 1211 C ASN A 77 9.394 -5.686 1.546 1.00 0.00 C ATOM 1212 O ASN A 77 8.798 -5.250 0.560 1.00 0.00 O ATOM 1213 CB ASN A 77 7.927 -6.408 3.438 1.00 0.00 C ATOM 1214 CG ASN A 77 6.660 -5.798 2.848 1.00 0.00 C ATOM 1215 OD1 ASN A 77 5.828 -6.510 2.287 1.00 0.00 O ATOM 1216 ND2 ASN A 77 6.462 -4.512 2.944 1.00 0.00 N ATOM 0 H ASN A 77 10.110 -7.521 3.877 1.00 0.00 H new ATOM 0 HA ASN A 77 8.291 -7.518 1.634 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.668 -7.244 4.087 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.440 -5.671 4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.617 -4.096 2.554 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.153 -3.923 3.409 1.00 0.00 H new ATOM 1223 N GLY A 78 10.514 -5.149 2.012 1.00 0.00 N ATOM 1224 CA GLY A 78 11.121 -3.990 1.368 1.00 0.00 C ATOM 1225 C GLY A 78 11.632 -4.319 -0.031 1.00 0.00 C ATOM 1226 O GLY A 78 11.335 -3.604 -0.989 1.00 0.00 O ATOM 0 H GLY A 78 11.019 -5.494 2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.390 -3.184 1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 78 11.946 -3.626 1.980 1.00 0.00 H new ATOM 1230 N VAL A 79 12.409 -5.391 -0.145 1.00 0.00 N ATOM 1231 CA VAL A 79 12.961 -5.783 -1.437 1.00 0.00 C ATOM 1232 C VAL A 79 11.841 -6.182 -2.398 1.00 0.00 C ATOM 1233 O VAL A 79 11.879 -5.854 -3.585 1.00 0.00 O ATOM 1234 CB VAL A 79 13.942 -6.954 -1.259 1.00 0.00 C ATOM 1235 CG1 VAL A 79 13.170 -8.248 -0.968 1.00 0.00 C ATOM 1236 CG2 VAL A 79 14.779 -7.131 -2.534 1.00 0.00 C ATOM 0 H VAL A 79 12.669 -5.998 0.632 1.00 0.00 H new ATOM 0 HA VAL A 79 13.496 -4.932 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 79 14.603 -6.735 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.873 -9.071 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 79 12.588 -8.127 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.499 -8.466 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 79 15.472 -7.962 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.119 -7.339 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.341 -6.218 -2.730 1.00 0.00 H new ATOM 1246 N LYS A 80 10.851 -6.896 -1.872 1.00 0.00 N ATOM 1247 CA LYS A 80 9.722 -7.342 -2.683 1.00 0.00 C ATOM 1248 C LYS A 80 8.959 -6.149 -3.247 1.00 0.00 C ATOM 1249 O LYS A 80 8.519 -6.170 -4.396 1.00 0.00 O ATOM 1250 CB LYS A 80 8.784 -8.208 -1.842 1.00 0.00 C ATOM 1251 CG LYS A 80 7.672 -8.765 -2.729 1.00 0.00 C ATOM 1252 CD LYS A 80 6.806 -9.733 -1.920 1.00 0.00 C ATOM 1253 CE LYS A 80 5.757 -10.365 -2.836 1.00 0.00 C ATOM 1254 NZ LYS A 80 5.003 -9.295 -3.547 1.00 0.00 N ATOM 0 H LYS A 80 10.807 -7.177 -0.893 1.00 0.00 H new ATOM 0 HA LYS A 80 10.107 -7.932 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.340 -9.025 -1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.356 -7.618 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.060 -7.951 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.102 -9.278 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.428 -10.508 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.318 -9.204 -1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.240 -11.024 -3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.072 -10.979 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.107 -9.682 -3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.804 -8.515 -2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.571 -8.940 -4.343 1.00 0.00 H new ATOM 1268 N LYS A 81 8.805 -5.108 -2.430 1.00 0.00 N ATOM 1269 CA LYS A 81 8.093 -3.899 -2.850 1.00 0.00 C ATOM 1270 C LYS A 81 8.876 -2.656 -2.441 1.00 0.00 C ATOM 1271 O LYS A 81 8.915 -2.365 -1.257 1.00 0.00 O ATOM 1272 CB LYS A 81 6.700 -3.863 -2.207 1.00 0.00 C ATOM 1273 CG LYS A 81 5.841 -2.757 -2.861 1.00 0.00 C ATOM 1274 CD LYS A 81 5.091 -3.315 -4.093 1.00 0.00 C ATOM 1275 CE LYS A 81 3.742 -3.900 -3.660 1.00 0.00 C ATOM 1276 NZ LYS A 81 3.126 -4.643 -4.797 1.00 0.00 N ATOM 1277 OXT LYS A 81 9.428 -2.013 -3.319 1.00 0.00 O ATOM 0 H LYS A 81 9.162 -5.076 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 81 7.991 -3.914 -3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.212 -4.830 -2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.790 -3.679 -1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.125 -2.368 -2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.476 -1.924 -3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.936 -2.523 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.692 -4.084 -4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.881 -4.568 -2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.077 -3.101 -3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.211 -5.038 -4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.979 -3.994 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.758 -5.416 -5.090 1.00 0.00 H new