USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 13 ASN : amide:sc= 0.908 K(o=0.91,f=-3.6!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot -81:sc= 0.0835 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0.0659 USER MOD Set 3.1: A 29 GLN : amide:sc= -0.352 K(o=-0.32,f=-3.7!) USER MOD Set 3.2: C 7 LYS NZ :NH3+ 134:sc= 0.0319 (180deg=-0.0959) USER MOD Set 4.1: A 13 ASN : amide:sc= 0.419 K(o=0.42,f=-4.7!) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 21 THR OG1 : rot 180:sc=-0.00435 USER MOD Single : A 1 MET CE :methyl -123:sc= -0.0015 (180deg=-0.263) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0043 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00135 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.747 X(o=-0.75,f=-0.27) USER MOD Single : A 35 ASN : amide:sc= -0.0842 K(o=-0.084,f=-1.8) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.177) USER MOD Single : A 43 HIS : no HE2:sc= -1.94 K(o=-1.9,f=-3.4!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -128:sc=-0.00143 (180deg=-0.222) USER MOD Single : C 1 MET N :NH3+ 132:sc= 0.0231 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 26 SER OG : rot 26:sc= 0.012 USER MOD Single : C 28 GLN :FLIP amide:sc= -1.02 F(o=-4.6!,f=-1) USER MOD Single : C 29 GLN : amide:sc= -0.0389 K(o=-0.039,f=-2.8!) USER MOD Single : C 35 ASN : amide:sc= -0.0178 K(o=-0.018,f=-1.5) USER MOD Single : C 38 LYS NZ :NH3+ -159:sc= -0.0676 (180deg=-0.378) USER MOD Single : C 43 HIS : no HE2:sc= -2.55 K(o=-2.5,f=-3.6!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.946 -5.243 -11.158 1.00 0.00 N ATOM 2 CA MET A 1 -5.973 -4.309 -10.021 1.00 0.00 C ATOM 3 C MET A 1 -7.019 -4.742 -9.002 1.00 0.00 C ATOM 4 O MET A 1 -8.145 -5.054 -9.376 1.00 0.00 O ATOM 5 CB MET A 1 -6.258 -2.882 -10.496 1.00 0.00 C ATOM 6 CG MET A 1 -6.033 -1.858 -9.384 1.00 0.00 C ATOM 7 SD MET A 1 -4.292 -1.540 -9.009 1.00 0.00 S ATOM 8 CE MET A 1 -3.919 -0.527 -10.456 1.00 0.00 C ATOM 0 H1 MET A 1 -5.743 -4.719 -12.033 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.206 -5.957 -11.003 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.870 -5.714 -11.243 1.00 0.00 H new ATOM 0 HA MET A 1 -4.992 -4.324 -9.546 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.614 -2.646 -11.343 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.287 -2.815 -10.849 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.509 -0.919 -9.668 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.530 -2.206 -8.479 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.092 -0.973 -11.009 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.798 -0.473 -11.098 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.641 0.477 -10.135 1.00 0.00 H new ATOM 20 N LEU A 2 -6.646 -4.756 -7.722 1.00 0.00 N ATOM 21 CA LEU A 2 -7.569 -4.970 -6.622 1.00 0.00 C ATOM 22 C LEU A 2 -7.492 -3.701 -5.794 1.00 0.00 C ATOM 23 O LEU A 2 -6.416 -3.315 -5.346 1.00 0.00 O ATOM 24 CB LEU A 2 -7.170 -6.238 -5.856 1.00 0.00 C ATOM 25 CG LEU A 2 -8.048 -6.566 -4.635 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.691 -5.715 -3.417 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.532 -6.398 -4.933 1.00 0.00 C ATOM 0 H LEU A 2 -5.681 -4.617 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.599 -5.141 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.200 -7.084 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.137 -6.133 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.845 -7.612 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.338 -5.984 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.651 -5.892 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.828 -4.661 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.112 -6.640 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.730 -5.367 -5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.818 -7.066 -5.745 1.00 0.00 H new ATOM 39 N ILE A 3 -8.635 -3.045 -5.587 1.00 0.00 N ATOM 40 CA ILE A 3 -8.654 -1.708 -5.019 1.00 0.00 C ATOM 41 C ILE A 3 -9.340 -1.694 -3.669 1.00 0.00 C ATOM 42 O ILE A 3 -10.237 -2.490 -3.396 1.00 0.00 O ATOM 43 CB ILE A 3 -9.346 -0.787 -6.027 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.563 -0.890 -7.340 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.385 0.667 -5.552 1.00 0.00 C ATOM 46 CD1 ILE A 3 -9.289 -0.217 -8.491 1.00 0.00 C ATOM 0 H ILE A 3 -9.557 -3.423 -5.806 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.638 -1.356 -4.839 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.383 -1.098 -6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.582 -0.432 -7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.396 -1.940 -7.581 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.885 1.281 -6.301 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.930 0.728 -4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.367 1.030 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.697 -0.315 -9.401 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.259 -0.692 -8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.432 0.839 -8.263 1.00 0.00 H new ATOM 58 N LEU A 4 -8.890 -0.767 -2.821 1.00 0.00 N ATOM 59 CA LEU A 4 -9.392 -0.589 -1.475 1.00 0.00 C ATOM 60 C LEU A 4 -9.407 0.899 -1.157 1.00 0.00 C ATOM 61 O LEU A 4 -8.655 1.676 -1.751 1.00 0.00 O ATOM 62 CB LEU A 4 -8.486 -1.335 -0.491 1.00 0.00 C ATOM 63 CG LEU A 4 -8.535 -2.853 -0.689 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.486 -3.504 0.201 1.00 0.00 C ATOM 65 CD2 LEU A 4 -9.901 -3.421 -0.307 1.00 0.00 C ATOM 0 H LEU A 4 -8.150 -0.109 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.402 -0.989 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.460 -0.988 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.786 -1.094 0.529 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.346 -3.062 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.514 -4.585 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.498 -3.131 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.693 -3.263 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.902 -4.500 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.106 -3.202 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.671 -2.966 -0.930 1.00 0.00 H new ATOM 77 N THR A 5 -10.263 1.297 -0.218 1.00 0.00 N ATOM 78 CA THR A 5 -10.413 2.692 0.150 1.00 0.00 C ATOM 79 C THR A 5 -10.516 2.773 1.668 1.00 0.00 C ATOM 80 O THR A 5 -11.401 2.172 2.268 1.00 0.00 O ATOM 81 CB THR A 5 -11.670 3.249 -0.525 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.615 2.988 -1.910 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.775 4.760 -0.343 1.00 0.00 C ATOM 0 H THR A 5 -10.866 0.661 0.303 1.00 0.00 H new ATOM 0 HA THR A 5 -9.559 3.285 -0.178 1.00 0.00 H new ATOM 0 HB THR A 5 -12.533 2.767 -0.065 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.420 3.343 -2.342 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.678 5.124 -0.834 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.820 4.996 0.720 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.903 5.241 -0.785 1.00 0.00 H new ATOM 91 N ARG A 6 -9.598 3.515 2.289 1.00 0.00 N ATOM 92 CA ARG A 6 -9.459 3.565 3.742 1.00 0.00 C ATOM 93 C ARG A 6 -9.112 4.974 4.184 1.00 0.00 C ATOM 94 O ARG A 6 -9.062 5.886 3.367 1.00 0.00 O ATOM 95 CB ARG A 6 -8.372 2.589 4.197 1.00 0.00 C ATOM 96 CG ARG A 6 -8.725 1.140 3.863 1.00 0.00 C ATOM 97 CD ARG A 6 -8.288 0.227 5.008 1.00 0.00 C ATOM 98 NE ARG A 6 -9.169 0.421 6.168 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.356 -0.460 7.156 1.00 0.00 C ATOM 100 NH1 ARG A 6 -8.685 -1.604 7.188 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.226 -0.189 8.126 1.00 0.00 N ATOM 0 H ARG A 6 -8.927 4.101 1.793 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.406 3.277 4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.427 2.851 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.224 2.687 5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.798 1.046 3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.233 0.840 2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.320 -0.814 4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.256 0.444 5.284 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.681 1.302 6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.014 -1.823 6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.840 -2.265 7.949 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.747 0.688 8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.372 -0.858 8.882 1.00 0.00 H new ATOM 115 N LYS A 7 -8.875 5.154 5.483 1.00 0.00 N ATOM 116 CA LYS A 7 -8.604 6.459 6.054 1.00 0.00 C ATOM 117 C LYS A 7 -7.265 6.456 6.761 1.00 0.00 C ATOM 118 O LYS A 7 -6.714 5.390 7.043 1.00 0.00 O ATOM 119 CB LYS A 7 -9.718 6.819 7.028 1.00 0.00 C ATOM 120 CG LYS A 7 -11.084 6.800 6.347 1.00 0.00 C ATOM 121 CD LYS A 7 -12.118 7.422 7.279 1.00 0.00 C ATOM 122 CE LYS A 7 -12.040 8.945 7.234 1.00 0.00 C ATOM 123 NZ LYS A 7 -13.095 9.551 8.069 1.00 0.00 N ATOM 0 H LYS A 7 -8.867 4.394 6.164 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.566 7.203 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.716 6.116 7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.532 7.809 7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.043 7.353 5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.367 5.776 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.117 7.096 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.951 7.075 8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.061 9.273 7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.143 9.288 6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.022 10.587 8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.028 9.254 7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.979 9.240 9.055 1.00 0.00 H new ATOM 137 N VAL A 8 -6.726 7.644 7.052 1.00 0.00 N ATOM 138 CA VAL A 8 -5.439 7.672 7.729 1.00 0.00 C ATOM 139 C VAL A 8 -5.527 6.960 9.078 1.00 0.00 C ATOM 140 O VAL A 8 -6.469 7.161 9.840 1.00 0.00 O ATOM 141 CB VAL A 8 -4.884 9.090 7.873 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.756 9.716 6.486 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.720 10.005 8.758 1.00 0.00 C ATOM 0 H VAL A 8 -7.139 8.552 6.840 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.730 7.131 7.103 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.916 8.992 8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.361 10.728 6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.079 9.116 5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.736 9.751 6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.255 10.990 8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.723 10.097 8.341 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.781 9.584 9.762 1.00 0.00 H new ATOM 153 N GLY A 9 -4.530 6.125 9.356 1.00 0.00 N ATOM 154 CA GLY A 9 -4.471 5.360 10.592 1.00 0.00 C ATOM 155 C GLY A 9 -5.040 3.944 10.439 1.00 0.00 C ATOM 156 O GLY A 9 -5.154 3.227 11.431 1.00 0.00 O ATOM 0 H GLY A 9 -3.742 5.962 8.729 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.435 5.297 10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.025 5.888 11.368 1.00 0.00 H new ATOM 160 N GLU A 10 -5.397 3.535 9.217 1.00 0.00 N ATOM 161 CA GLU A 10 -5.944 2.205 8.954 1.00 0.00 C ATOM 162 C GLU A 10 -4.935 1.328 8.213 1.00 0.00 C ATOM 163 O GLU A 10 -3.846 1.790 7.870 1.00 0.00 O ATOM 164 CB GLU A 10 -7.252 2.317 8.170 1.00 0.00 C ATOM 165 CG GLU A 10 -8.300 3.148 8.912 1.00 0.00 C ATOM 166 CD GLU A 10 -9.693 2.917 8.333 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.847 3.059 7.101 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.604 2.602 9.131 1.00 0.00 O ATOM 0 H GLU A 10 -5.314 4.118 8.384 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.153 1.726 9.911 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.054 2.769 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.648 1.319 7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.294 2.886 9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.045 4.206 8.844 1.00 0.00 H new ATOM 175 N SER A 11 -5.287 0.060 7.961 1.00 0.00 N ATOM 176 CA SER A 11 -4.349 -0.903 7.400 1.00 0.00 C ATOM 177 C SER A 11 -4.965 -1.776 6.301 1.00 0.00 C ATOM 178 O SER A 11 -6.179 -1.804 6.119 1.00 0.00 O ATOM 179 CB SER A 11 -3.812 -1.796 8.521 1.00 0.00 C ATOM 180 OG SER A 11 -3.264 -1.020 9.564 1.00 0.00 O ATOM 0 H SER A 11 -6.218 -0.317 8.140 1.00 0.00 H new ATOM 0 HA SER A 11 -3.544 -0.333 6.936 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.616 -2.420 8.911 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.051 -2.468 8.123 1.00 0.00 H new ATOM 0 HG SER A 11 -2.928 -1.611 10.270 1.00 0.00 H new ATOM 186 N ILE A 12 -4.098 -2.494 5.580 1.00 0.00 N ATOM 187 CA ILE A 12 -4.436 -3.353 4.446 1.00 0.00 C ATOM 188 C ILE A 12 -3.506 -4.568 4.489 1.00 0.00 C ATOM 189 O ILE A 12 -2.491 -4.538 5.180 1.00 0.00 O ATOM 190 CB ILE A 12 -4.293 -2.543 3.147 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.408 -1.486 3.117 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.369 -3.433 1.903 1.00 0.00 C ATOM 193 CD1 ILE A 12 -5.393 -0.652 1.835 1.00 0.00 C ATOM 0 H ILE A 12 -3.098 -2.491 5.782 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.466 -3.707 4.492 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.312 -2.068 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.375 -1.980 3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.301 -0.825 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.263 -2.818 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.567 -4.170 1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.331 -3.945 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.201 0.079 1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.438 -0.133 1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.529 -1.306 0.974 1.00 0.00 H new ATOM 205 N ASN A 13 -3.836 -5.639 3.761 1.00 0.00 N ATOM 206 CA ASN A 13 -3.110 -6.897 3.879 1.00 0.00 C ATOM 207 C ASN A 13 -2.792 -7.527 2.529 1.00 0.00 C ATOM 208 O ASN A 13 -3.515 -7.333 1.550 1.00 0.00 O ATOM 209 CB ASN A 13 -3.958 -7.865 4.705 1.00 0.00 C ATOM 210 CG ASN A 13 -4.274 -7.298 6.080 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.325 -6.701 6.280 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.369 -7.477 7.038 1.00 0.00 N ATOM 0 H ASN A 13 -4.601 -5.655 3.086 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.155 -6.690 4.362 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.887 -8.078 4.176 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.429 -8.812 4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.539 -7.112 7.975 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.505 -7.979 6.836 1.00 0.00 H new ATOM 219 N ILE A 14 -1.693 -8.294 2.496 1.00 0.00 N ATOM 220 CA ILE A 14 -1.217 -9.007 1.315 1.00 0.00 C ATOM 221 C ILE A 14 -0.641 -10.357 1.736 1.00 0.00 C ATOM 222 O ILE A 14 0.060 -10.453 2.746 1.00 0.00 O ATOM 223 CB ILE A 14 -0.129 -8.189 0.601 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.653 -6.800 0.205 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.390 -8.962 -0.622 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.443 -5.931 -0.407 1.00 0.00 C ATOM 0 H ILE A 14 -1.100 -8.435 3.314 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.053 -9.157 0.632 1.00 0.00 H new ATOM 0 HB ILE A 14 0.702 -8.036 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.470 -6.910 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.062 -6.302 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.161 -8.376 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.811 -9.914 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.433 -9.145 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.030 -4.958 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.248 -5.798 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.834 -6.415 -1.302 1.00 0.00 H new ATOM 238 N GLY A 15 -0.933 -11.401 0.956 1.00 0.00 N ATOM 239 CA GLY A 15 -0.429 -12.739 1.213 1.00 0.00 C ATOM 240 C GLY A 15 -0.761 -13.186 2.631 1.00 0.00 C ATOM 241 O GLY A 15 -1.833 -12.878 3.150 1.00 0.00 O ATOM 0 H GLY A 15 -1.527 -11.335 0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.862 -13.438 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.651 -12.759 1.065 1.00 0.00 H new ATOM 245 N ASP A 16 0.168 -13.912 3.252 1.00 0.00 N ATOM 246 CA ASP A 16 0.041 -14.376 4.627 1.00 0.00 C ATOM 247 C ASP A 16 1.251 -13.917 5.445 1.00 0.00 C ATOM 248 O ASP A 16 1.484 -14.419 6.542 1.00 0.00 O ATOM 249 CB ASP A 16 -0.099 -15.901 4.651 1.00 0.00 C ATOM 250 CG ASP A 16 -1.306 -16.366 3.837 1.00 0.00 C ATOM 251 OD1 ASP A 16 -2.434 -16.270 4.369 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.093 -16.817 2.692 1.00 0.00 O ATOM 0 H ASP A 16 1.040 -14.196 2.806 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.855 -13.946 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.807 -16.357 4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.201 -16.242 5.681 1.00 0.00 H new ATOM 257 N ASP A 17 2.027 -12.965 4.908 1.00 0.00 N ATOM 258 CA ASP A 17 3.262 -12.505 5.516 1.00 0.00 C ATOM 259 C ASP A 17 3.445 -10.991 5.385 1.00 0.00 C ATOM 260 O ASP A 17 4.478 -10.480 5.810 1.00 0.00 O ATOM 261 CB ASP A 17 4.449 -13.217 4.861 1.00 0.00 C ATOM 262 CG ASP A 17 4.359 -14.736 5.013 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.759 -15.230 6.091 1.00 0.00 O ATOM 264 OD2 ASP A 17 3.895 -15.393 4.051 1.00 0.00 O ATOM 0 H ASP A 17 1.804 -12.495 4.031 1.00 0.00 H new ATOM 0 HA ASP A 17 3.212 -12.741 6.579 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.487 -12.960 3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.377 -12.862 5.309 1.00 0.00 H new ATOM 269 N ILE A 18 2.480 -10.258 4.816 1.00 0.00 N ATOM 270 CA ILE A 18 2.654 -8.821 4.618 1.00 0.00 C ATOM 271 C ILE A 18 1.411 -8.040 5.042 1.00 0.00 C ATOM 272 O ILE A 18 0.280 -8.513 4.920 1.00 0.00 O ATOM 273 CB ILE A 18 2.991 -8.517 3.146 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.233 -9.270 2.656 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.242 -7.017 2.957 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.833 -10.574 1.967 1.00 0.00 C ATOM 0 H ILE A 18 1.588 -10.631 4.491 1.00 0.00 H new ATOM 0 HA ILE A 18 3.484 -8.501 5.249 1.00 0.00 H new ATOM 0 HB ILE A 18 2.132 -8.847 2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.795 -8.644 1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.891 -9.484 3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.479 -6.817 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.349 -6.460 3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.077 -6.706 3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.728 -11.095 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.291 -11.206 2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.194 -10.353 1.112 1.00 0.00 H new ATOM 288 N THR A 19 1.641 -6.824 5.542 1.00 0.00 N ATOM 289 CA THR A 19 0.601 -5.885 5.928 1.00 0.00 C ATOM 290 C THR A 19 1.049 -4.486 5.518 1.00 0.00 C ATOM 291 O THR A 19 2.246 -4.228 5.390 1.00 0.00 O ATOM 292 CB THR A 19 0.362 -5.989 7.441 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.066 -7.296 7.761 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.708 -5.018 7.943 1.00 0.00 C ATOM 0 H THR A 19 2.583 -6.462 5.691 1.00 0.00 H new ATOM 0 HA THR A 19 -0.342 -6.110 5.430 1.00 0.00 H new ATOM 0 HB THR A 19 1.308 -5.740 7.922 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.217 -7.363 8.727 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.832 -5.138 9.019 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.402 -3.995 7.725 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.653 -5.228 7.443 1.00 0.00 H new ATOM 302 N ILE A 20 0.093 -3.577 5.316 1.00 0.00 N ATOM 303 CA ILE A 20 0.333 -2.217 4.854 1.00 0.00 C ATOM 304 C ILE A 20 -0.450 -1.262 5.750 1.00 0.00 C ATOM 305 O ILE A 20 -1.505 -1.631 6.260 1.00 0.00 O ATOM 306 CB ILE A 20 -0.127 -2.090 3.392 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.574 -3.094 2.463 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.090 -0.665 2.876 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.067 -2.814 2.318 1.00 0.00 C ATOM 0 H ILE A 20 -0.895 -3.776 5.475 1.00 0.00 H new ATOM 0 HA ILE A 20 1.394 -1.972 4.904 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.192 -2.322 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.433 -4.103 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.105 -3.063 1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.242 -0.599 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.482 0.034 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.149 -0.414 2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.513 -3.552 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.211 -1.817 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.545 -2.873 3.296 1.00 0.00 H new ATOM 321 N THR A 21 0.053 -0.039 5.945 1.00 0.00 N ATOM 322 CA THR A 21 -0.595 0.927 6.826 1.00 0.00 C ATOM 323 C THR A 21 -0.473 2.338 6.260 1.00 0.00 C ATOM 324 O THR A 21 0.609 2.752 5.848 1.00 0.00 O ATOM 325 CB THR A 21 0.056 0.875 8.215 1.00 0.00 C ATOM 326 OG1 THR A 21 0.148 -0.460 8.669 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.762 1.667 9.232 1.00 0.00 C ATOM 0 H THR A 21 0.907 0.302 5.503 1.00 0.00 H new ATOM 0 HA THR A 21 -1.652 0.672 6.904 1.00 0.00 H new ATOM 0 HB THR A 21 1.051 1.311 8.123 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.567 -0.476 9.555 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.279 1.614 10.208 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.827 2.708 8.915 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.765 1.245 9.300 1.00 0.00 H new ATOM 335 N ILE A 22 -1.582 3.076 6.243 1.00 0.00 N ATOM 336 CA ILE A 22 -1.618 4.461 5.792 1.00 0.00 C ATOM 337 C ILE A 22 -1.393 5.357 7.012 1.00 0.00 C ATOM 338 O ILE A 22 -2.334 5.723 7.715 1.00 0.00 O ATOM 339 CB ILE A 22 -2.939 4.729 5.046 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.208 6.221 4.815 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.154 4.129 5.757 1.00 0.00 C ATOM 342 CD1 ILE A 22 -2.080 6.887 4.045 1.00 0.00 C ATOM 0 H ILE A 22 -2.490 2.722 6.546 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.828 4.681 5.074 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.804 4.238 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.142 6.341 4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.336 6.720 5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.056 4.350 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.031 3.049 5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.242 4.560 6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.310 7.943 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.150 6.791 4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.969 6.406 3.073 1.00 0.00 H new ATOM 354 N LEU A 23 -0.131 5.716 7.271 1.00 0.00 N ATOM 355 CA LEU A 23 0.226 6.449 8.483 1.00 0.00 C ATOM 356 C LEU A 23 -0.362 7.862 8.468 1.00 0.00 C ATOM 357 O LEU A 23 -0.550 8.458 9.529 1.00 0.00 O ATOM 358 CB LEU A 23 1.749 6.494 8.685 1.00 0.00 C ATOM 359 CG LEU A 23 2.512 5.292 8.109 1.00 0.00 C ATOM 360 CD1 LEU A 23 4.006 5.528 8.294 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.136 3.984 8.796 1.00 0.00 C ATOM 0 H LEU A 23 0.657 5.510 6.657 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.206 5.912 9.327 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.135 7.405 8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.958 6.561 9.753 1.00 0.00 H new ATOM 0 HG LEU A 23 2.248 5.203 7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.561 4.682 7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.298 6.438 7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.229 5.634 9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.702 3.165 8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.367 4.052 9.859 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.069 3.799 8.668 1.00 0.00 H new ATOM 373 N GLY A 24 -0.653 8.403 7.278 1.00 0.00 N ATOM 374 CA GLY A 24 -1.306 9.697 7.135 1.00 0.00 C ATOM 375 C GLY A 24 -1.022 10.332 5.777 1.00 0.00 C ATOM 376 O GLY A 24 -0.461 9.687 4.894 1.00 0.00 O ATOM 0 H GLY A 24 -0.439 7.950 6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.382 9.576 7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.965 10.365 7.926 1.00 0.00 H new ATOM 380 N VAL A 25 -1.414 11.601 5.606 1.00 0.00 N ATOM 381 CA VAL A 25 -1.127 12.352 4.385 1.00 0.00 C ATOM 382 C VAL A 25 -0.439 13.671 4.725 1.00 0.00 C ATOM 383 O VAL A 25 -0.361 14.060 5.891 1.00 0.00 O ATOM 384 CB VAL A 25 -2.393 12.587 3.543 1.00 0.00 C ATOM 385 CG1 VAL A 25 -3.282 11.342 3.481 1.00 0.00 C ATOM 386 CG2 VAL A 25 -3.219 13.756 4.076 1.00 0.00 C ATOM 0 H VAL A 25 -1.935 12.129 6.306 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.450 11.752 3.777 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.042 12.822 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.164 11.554 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.725 10.519 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.591 11.065 4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.104 13.889 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.524 13.548 5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.619 14.666 4.053 1.00 0.00 H new ATOM 396 N SER A 26 0.062 14.360 3.695 1.00 0.00 N ATOM 397 CA SER A 26 0.794 15.613 3.841 1.00 0.00 C ATOM 398 C SER A 26 0.469 16.520 2.657 1.00 0.00 C ATOM 399 O SER A 26 1.364 17.096 2.038 1.00 0.00 O ATOM 400 CB SER A 26 2.296 15.330 3.900 1.00 0.00 C ATOM 401 OG SER A 26 2.609 14.545 5.032 1.00 0.00 O ATOM 0 H SER A 26 -0.033 14.056 2.726 1.00 0.00 H new ATOM 0 HA SER A 26 0.499 16.110 4.765 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.610 14.813 2.994 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.848 16.269 3.938 1.00 0.00 H new ATOM 0 HG SER A 26 3.573 14.372 5.054 1.00 0.00 H new ATOM 407 N GLY A 27 -0.826 16.640 2.349 1.00 0.00 N ATOM 408 CA GLY A 27 -1.298 17.353 1.177 1.00 0.00 C ATOM 409 C GLY A 27 -1.753 16.324 0.151 1.00 0.00 C ATOM 410 O GLY A 27 -2.573 15.460 0.464 1.00 0.00 O ATOM 0 H GLY A 27 -1.574 16.240 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.121 18.017 1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.504 17.977 0.765 1.00 0.00 H new ATOM 414 N GLN A 28 -1.227 16.407 -1.073 1.00 0.00 N ATOM 415 CA GLN A 28 -1.466 15.390 -2.086 1.00 0.00 C ATOM 416 C GLN A 28 -0.357 14.348 -1.989 1.00 0.00 C ATOM 417 O GLN A 28 -0.338 13.362 -2.729 1.00 0.00 O ATOM 418 CB GLN A 28 -1.559 16.030 -3.468 1.00 0.00 C ATOM 419 CG GLN A 28 -3.001 15.925 -3.975 1.00 0.00 C ATOM 420 CD GLN A 28 -3.981 16.646 -3.051 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.181 17.851 -3.162 1.00 0.00 O ATOM 422 NE2 GLN A 28 -4.603 15.913 -2.131 1.00 0.00 N ATOM 0 H GLN A 28 -0.630 17.174 -1.383 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.420 14.890 -1.918 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.253 17.075 -3.419 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.880 15.531 -4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.066 16.350 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.283 14.875 -4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.415 14.913 -2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.267 16.351 -1.493 1.00 0.00 H new ATOM 431 N GLN A 29 0.568 14.589 -1.056 1.00 0.00 N ATOM 432 CA GLN A 29 1.576 13.645 -0.626 1.00 0.00 C ATOM 433 C GLN A 29 0.913 12.701 0.379 1.00 0.00 C ATOM 434 O GLN A 29 -0.069 13.068 1.026 1.00 0.00 O ATOM 435 CB GLN A 29 2.695 14.431 0.056 1.00 0.00 C ATOM 436 CG GLN A 29 3.563 15.198 -0.945 1.00 0.00 C ATOM 437 CD GLN A 29 4.788 14.398 -1.374 1.00 0.00 C ATOM 438 OE1 GLN A 29 4.755 13.666 -2.357 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.883 14.530 -0.632 1.00 0.00 N ATOM 0 H GLN A 29 0.629 15.483 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 29 1.988 13.076 -1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.261 15.132 0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.322 13.745 0.626 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.968 15.448 -1.823 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.884 16.140 -0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.878 15.147 0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.729 14.014 -0.875 1.00 0.00 H new ATOM 448 N VAL A 30 1.444 11.489 0.512 1.00 0.00 N ATOM 449 CA VAL A 30 0.884 10.467 1.380 1.00 0.00 C ATOM 450 C VAL A 30 2.031 9.728 2.056 1.00 0.00 C ATOM 451 O VAL A 30 3.108 9.603 1.479 1.00 0.00 O ATOM 452 CB VAL A 30 0.009 9.507 0.560 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.671 8.491 1.471 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.101 10.253 -0.178 1.00 0.00 C ATOM 0 H VAL A 30 2.282 11.190 0.014 1.00 0.00 H new ATOM 0 HA VAL A 30 0.252 10.919 2.144 1.00 0.00 H new ATOM 0 HB VAL A 30 0.672 9.016 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.286 7.820 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.086 7.913 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.300 9.013 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.700 9.543 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.736 10.767 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.660 10.982 -0.857 1.00 0.00 H new ATOM 464 N ARG A 31 1.809 9.234 3.277 1.00 0.00 N ATOM 465 CA ARG A 31 2.830 8.538 4.043 1.00 0.00 C ATOM 466 C ARG A 31 2.302 7.174 4.439 1.00 0.00 C ATOM 467 O ARG A 31 1.246 7.060 5.057 1.00 0.00 O ATOM 468 CB ARG A 31 3.199 9.371 5.267 1.00 0.00 C ATOM 469 CG ARG A 31 4.523 8.888 5.861 1.00 0.00 C ATOM 470 CD ARG A 31 4.848 9.764 7.069 1.00 0.00 C ATOM 471 NE ARG A 31 6.224 9.560 7.523 1.00 0.00 N ATOM 472 CZ ARG A 31 6.659 9.867 8.746 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.842 10.366 9.670 1.00 0.00 N ATOM 474 NH2 ARG A 31 7.934 9.673 9.059 1.00 0.00 N ATOM 0 H ARG A 31 0.912 9.309 3.757 1.00 0.00 H new ATOM 0 HA ARG A 31 3.731 8.399 3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.280 10.422 4.989 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.410 9.299 6.015 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.448 7.842 6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.319 8.952 5.119 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.701 10.812 6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.158 9.536 7.881 1.00 0.00 H new ATOM 0 HE ARG A 31 6.891 9.159 6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.858 10.522 9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.199 10.593 10.598 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.577 9.291 8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.271 9.906 9.993 1.00 0.00 H new ATOM 488 N ILE A 32 3.047 6.133 4.071 1.00 0.00 N ATOM 489 CA ILE A 32 2.583 4.756 4.161 1.00 0.00 C ATOM 490 C ILE A 32 3.716 3.869 4.650 1.00 0.00 C ATOM 491 O ILE A 32 4.882 4.104 4.334 1.00 0.00 O ATOM 492 CB ILE A 32 2.096 4.320 2.771 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.807 5.073 2.418 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.838 2.812 2.708 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.526 5.031 0.918 1.00 0.00 C ATOM 0 H ILE A 32 3.993 6.225 3.701 1.00 0.00 H new ATOM 0 HA ILE A 32 1.760 4.670 4.871 1.00 0.00 H new ATOM 0 HB ILE A 32 2.880 4.558 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.032 4.634 2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.889 6.110 2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.495 2.543 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.760 2.275 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.075 2.543 3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.395 5.574 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.353 5.494 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.418 3.995 0.597 1.00 0.00 H new ATOM 507 N GLY A 33 3.360 2.840 5.421 1.00 0.00 N ATOM 508 CA GLY A 33 4.307 1.899 5.982 1.00 0.00 C ATOM 509 C GLY A 33 4.003 0.492 5.489 1.00 0.00 C ATOM 510 O GLY A 33 2.913 0.216 4.988 1.00 0.00 O ATOM 0 H GLY A 33 2.391 2.642 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.321 2.180 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.260 1.929 7.071 1.00 0.00 H new ATOM 514 N ILE A 34 4.982 -0.391 5.642 1.00 0.00 N ATOM 515 CA ILE A 34 4.923 -1.763 5.177 1.00 0.00 C ATOM 516 C ILE A 34 5.440 -2.637 6.306 1.00 0.00 C ATOM 517 O ILE A 34 6.317 -2.230 7.069 1.00 0.00 O ATOM 518 CB ILE A 34 5.772 -1.915 3.909 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.287 -0.933 2.836 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.687 -3.351 3.381 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.194 -0.918 1.607 1.00 0.00 C ATOM 0 H ILE A 34 5.861 -0.162 6.106 1.00 0.00 H new ATOM 0 HA ILE A 34 3.906 -2.058 4.919 1.00 0.00 H new ATOM 0 HB ILE A 34 6.811 -1.693 4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.275 -1.201 2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.238 0.070 3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.294 -3.444 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.056 -4.040 4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.650 -3.591 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.807 -0.207 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.201 -0.623 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.222 -1.913 1.164 1.00 0.00 H new ATOM 533 N ASN A 35 4.895 -3.841 6.408 1.00 0.00 N ATOM 534 CA ASN A 35 5.192 -4.738 7.507 1.00 0.00 C ATOM 535 C ASN A 35 5.334 -6.146 6.954 1.00 0.00 C ATOM 536 O ASN A 35 4.353 -6.875 6.819 1.00 0.00 O ATOM 537 CB ASN A 35 4.077 -4.635 8.551 1.00 0.00 C ATOM 538 CG ASN A 35 4.364 -5.496 9.776 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.452 -6.047 9.918 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.385 -5.611 10.671 1.00 0.00 N ATOM 0 H ASN A 35 4.235 -4.220 5.729 1.00 0.00 H new ATOM 0 HA ASN A 35 6.128 -4.470 7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.961 -3.595 8.857 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.132 -4.943 8.104 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.525 -6.173 11.511 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.495 -5.137 10.517 1.00 0.00 H new ATOM 547 N ALA A 36 6.570 -6.512 6.634 1.00 0.00 N ATOM 548 CA ALA A 36 6.892 -7.802 6.051 1.00 0.00 C ATOM 549 C ALA A 36 8.200 -8.337 6.619 1.00 0.00 C ATOM 550 O ALA A 36 9.035 -7.566 7.088 1.00 0.00 O ATOM 551 CB ALA A 36 7.032 -7.632 4.541 1.00 0.00 C ATOM 0 H ALA A 36 7.383 -5.912 6.775 1.00 0.00 H new ATOM 0 HA ALA A 36 6.097 -8.510 6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.274 -8.593 4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.094 -7.262 4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.828 -6.919 4.327 1.00 0.00 H new ATOM 557 N PRO A 37 8.386 -9.663 6.580 1.00 0.00 N ATOM 558 CA PRO A 37 9.630 -10.302 6.959 1.00 0.00 C ATOM 559 C PRO A 37 10.743 -9.929 5.984 1.00 0.00 C ATOM 560 O PRO A 37 10.479 -9.554 4.845 1.00 0.00 O ATOM 561 CB PRO A 37 9.349 -11.800 6.885 1.00 0.00 C ATOM 562 CG PRO A 37 8.177 -11.924 5.918 1.00 0.00 C ATOM 563 CD PRO A 37 7.398 -10.637 6.157 1.00 0.00 C ATOM 0 HA PRO A 37 9.958 -9.992 7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.219 -12.349 6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.099 -12.205 7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.513 -12.006 4.884 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.573 -12.807 6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.889 -10.312 5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.632 -10.777 6.920 1.00 0.00 H new ATOM 571 N LYS A 38 11.999 -10.037 6.428 1.00 0.00 N ATOM 572 CA LYS A 38 13.154 -9.828 5.559 1.00 0.00 C ATOM 573 C LYS A 38 13.244 -10.959 4.535 1.00 0.00 C ATOM 574 O LYS A 38 14.122 -10.960 3.674 1.00 0.00 O ATOM 575 CB LYS A 38 14.425 -9.734 6.411 1.00 0.00 C ATOM 576 CG LYS A 38 14.302 -8.665 7.509 1.00 0.00 C ATOM 577 CD LYS A 38 13.981 -7.278 6.947 1.00 0.00 C ATOM 578 CE LYS A 38 15.152 -6.678 6.164 1.00 0.00 C ATOM 579 NZ LYS A 38 16.291 -6.373 7.053 1.00 0.00 N ATOM 0 H LYS A 38 12.239 -10.270 7.392 1.00 0.00 H new ATOM 0 HA LYS A 38 13.043 -8.892 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.628 -10.702 6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.275 -9.500 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.521 -8.958 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.235 -8.618 8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.109 -7.346 6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.715 -6.610 7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.469 -7.375 5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.827 -5.768 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.975 -5.774 6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.948 -5.871 7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.753 -7.259 7.341 1.00 0.00 H new ATOM 593 N ASP A 39 12.327 -11.922 4.640 1.00 0.00 N ATOM 594 CA ASP A 39 12.158 -13.021 3.700 1.00 0.00 C ATOM 595 C ASP A 39 11.613 -12.522 2.358 1.00 0.00 C ATOM 596 O ASP A 39 11.548 -13.282 1.392 1.00 0.00 O ATOM 597 CB ASP A 39 11.184 -14.032 4.301 1.00 0.00 C ATOM 598 CG ASP A 39 11.848 -14.839 5.411 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.509 -15.848 5.074 1.00 0.00 O ATOM 600 OD2 ASP A 39 11.692 -14.447 6.587 1.00 0.00 O ATOM 0 H ASP A 39 11.660 -11.955 5.411 1.00 0.00 H new ATOM 0 HA ASP A 39 13.128 -13.484 3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.312 -13.511 4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.826 -14.705 3.522 1.00 0.00 H new ATOM 605 N VAL A 40 11.221 -11.247 2.290 1.00 0.00 N ATOM 606 CA VAL A 40 10.693 -10.630 1.080 1.00 0.00 C ATOM 607 C VAL A 40 11.262 -9.221 0.946 1.00 0.00 C ATOM 608 O VAL A 40 11.745 -8.646 1.921 1.00 0.00 O ATOM 609 CB VAL A 40 9.157 -10.600 1.097 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.591 -11.998 1.364 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.632 -9.656 2.176 1.00 0.00 C ATOM 0 H VAL A 40 11.264 -10.610 3.086 1.00 0.00 H new ATOM 0 HA VAL A 40 10.995 -11.225 0.218 1.00 0.00 H new ATOM 0 HB VAL A 40 8.835 -10.247 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.502 -11.954 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.921 -12.680 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.947 -12.356 2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.542 -9.657 2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.983 -9.989 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.996 -8.647 1.985 1.00 0.00 H new ATOM 621 N ALA A 41 11.208 -8.663 -0.264 1.00 0.00 N ATOM 622 CA ALA A 41 11.778 -7.355 -0.527 1.00 0.00 C ATOM 623 C ALA A 41 10.680 -6.331 -0.779 1.00 0.00 C ATOM 624 O ALA A 41 9.621 -6.674 -1.309 1.00 0.00 O ATOM 625 CB ALA A 41 12.696 -7.466 -1.744 1.00 0.00 C ATOM 0 H ALA A 41 10.773 -9.103 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 41 12.348 -7.020 0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.135 -6.492 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.490 -8.184 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.119 -7.802 -2.606 1.00 0.00 H new ATOM 631 N VAL A 42 10.932 -5.074 -0.402 1.00 0.00 N ATOM 632 CA VAL A 42 9.988 -3.983 -0.627 1.00 0.00 C ATOM 633 C VAL A 42 10.761 -2.705 -0.935 1.00 0.00 C ATOM 634 O VAL A 42 11.647 -2.313 -0.175 1.00 0.00 O ATOM 635 CB VAL A 42 9.066 -3.791 0.592 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.244 -5.053 0.847 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.822 -3.485 1.884 1.00 0.00 C ATOM 0 H VAL A 42 11.792 -4.788 0.065 1.00 0.00 H new ATOM 0 HA VAL A 42 9.353 -4.230 -1.478 1.00 0.00 H new ATOM 0 HB VAL A 42 8.435 -2.938 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.599 -4.898 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.632 -5.271 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.914 -5.891 1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.111 -3.362 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.499 -4.308 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.396 -2.567 1.761 1.00 0.00 H new ATOM 647 N HIS A 43 10.435 -2.046 -2.052 1.00 0.00 N ATOM 648 CA HIS A 43 11.075 -0.794 -2.429 1.00 0.00 C ATOM 649 C HIS A 43 10.176 -0.022 -3.379 1.00 0.00 C ATOM 650 O HIS A 43 9.248 -0.582 -3.957 1.00 0.00 O ATOM 651 CB HIS A 43 12.408 -1.040 -3.154 1.00 0.00 C ATOM 652 CG HIS A 43 13.256 -2.161 -2.619 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.334 -2.010 -1.744 1.00 0.00 N ATOM 654 CD2 HIS A 43 13.101 -3.484 -2.919 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.804 -3.250 -1.540 1.00 0.00 C ATOM 656 NE2 HIS A 43 14.085 -4.155 -2.228 1.00 0.00 N ATOM 0 H HIS A 43 9.726 -2.367 -2.711 1.00 0.00 H new ATOM 0 HA HIS A 43 11.255 -0.234 -1.511 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.195 -1.242 -4.204 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.993 -0.121 -3.118 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.689 -1.141 -1.345 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.355 -3.918 -3.569 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.647 -3.489 -0.908 1.00 0.00 H new ATOM 664 N ARG A 44 10.447 1.273 -3.551 1.00 0.00 N ATOM 665 CA ARG A 44 9.767 2.056 -4.573 1.00 0.00 C ATOM 666 C ARG A 44 10.342 1.713 -5.942 1.00 0.00 C ATOM 667 O ARG A 44 11.454 1.191 -6.035 1.00 0.00 O ATOM 668 CB ARG A 44 9.862 3.557 -4.277 1.00 0.00 C ATOM 669 CG ARG A 44 11.306 4.052 -4.225 1.00 0.00 C ATOM 670 CD ARG A 44 11.343 5.564 -3.979 1.00 0.00 C ATOM 671 NE ARG A 44 10.789 6.316 -5.116 1.00 0.00 N ATOM 672 CZ ARG A 44 9.564 6.849 -5.162 1.00 0.00 C ATOM 673 NH1 ARG A 44 8.717 6.742 -4.145 1.00 0.00 N ATOM 674 NH2 ARG A 44 9.165 7.506 -6.245 1.00 0.00 N ATOM 0 H ARG A 44 11.128 1.795 -2.999 1.00 0.00 H new ATOM 0 HA ARG A 44 8.707 1.803 -4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.319 4.110 -5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.374 3.768 -3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.846 3.535 -3.432 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.812 3.817 -5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.778 5.800 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.371 5.878 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 44 11.387 6.440 -5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.995 6.243 -3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.788 7.159 -4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.793 7.604 -7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.230 7.912 -6.279 1.00 0.00 H new ATOM 688 N GLU A 45 9.588 2.007 -7.000 1.00 0.00 N ATOM 689 CA GLU A 45 9.990 1.700 -8.365 1.00 0.00 C ATOM 690 C GLU A 45 11.404 2.187 -8.678 1.00 0.00 C ATOM 691 O GLU A 45 12.117 1.542 -9.439 1.00 0.00 O ATOM 692 CB GLU A 45 8.991 2.350 -9.327 1.00 0.00 C ATOM 693 CG GLU A 45 7.748 1.469 -9.490 1.00 0.00 C ATOM 694 CD GLU A 45 8.010 0.266 -10.400 1.00 0.00 C ATOM 695 OE1 GLU A 45 9.081 0.229 -11.042 1.00 0.00 O ATOM 696 OE2 GLU A 45 7.122 -0.616 -10.444 1.00 0.00 O ATOM 0 H GLU A 45 8.680 2.466 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 45 9.993 0.617 -8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.701 3.331 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.462 2.507 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.422 1.118 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.934 2.065 -9.903 1.00 0.00 H new ATOM 703 N GLU A 46 11.831 3.315 -8.104 1.00 0.00 N ATOM 704 CA GLU A 46 13.150 3.841 -8.416 1.00 0.00 C ATOM 705 C GLU A 46 14.253 2.900 -7.934 1.00 0.00 C ATOM 706 O GLU A 46 15.252 2.745 -8.633 1.00 0.00 O ATOM 707 CB GLU A 46 13.302 5.229 -7.794 1.00 0.00 C ATOM 708 CG GLU A 46 14.676 5.845 -8.091 1.00 0.00 C ATOM 709 CD GLU A 46 14.957 5.958 -9.589 1.00 0.00 C ATOM 710 OE1 GLU A 46 14.038 6.390 -10.318 1.00 0.00 O ATOM 711 OE2 GLU A 46 16.092 5.613 -9.994 1.00 0.00 O ATOM 0 H GLU A 46 11.292 3.867 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 46 13.249 3.921 -9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.520 5.885 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.161 5.160 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.732 6.835 -7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.451 5.237 -7.624 1.00 0.00 H new ATOM 718 N ILE A 47 14.100 2.270 -6.764 1.00 0.00 N ATOM 719 CA ILE A 47 15.110 1.343 -6.259 1.00 0.00 C ATOM 720 C ILE A 47 14.903 -0.020 -6.911 1.00 0.00 C ATOM 721 O ILE A 47 15.868 -0.703 -7.251 1.00 0.00 O ATOM 722 CB ILE A 47 14.972 1.199 -4.734 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.613 2.349 -3.956 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.664 -0.075 -4.243 1.00 0.00 C ATOM 725 CD1 ILE A 47 15.003 3.712 -4.274 1.00 0.00 C ATOM 0 H ILE A 47 13.290 2.386 -6.155 1.00 0.00 H new ATOM 0 HA ILE A 47 16.103 1.725 -6.496 1.00 0.00 H new ATOM 0 HB ILE A 47 13.897 1.184 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.513 2.155 -2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.680 2.377 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.553 -0.156 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.209 -0.943 -4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.723 -0.035 -4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.505 4.481 -3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.126 3.927 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.941 3.702 -4.027 1.00 0.00 H new ATOM 737 N TYR A 48 13.638 -0.409 -7.086 1.00 0.00 N ATOM 738 CA TYR A 48 13.276 -1.721 -7.586 1.00 0.00 C ATOM 739 C TYR A 48 13.856 -1.978 -8.976 1.00 0.00 C ATOM 740 O TYR A 48 14.186 -3.114 -9.310 1.00 0.00 O ATOM 741 CB TYR A 48 11.755 -1.808 -7.642 1.00 0.00 C ATOM 742 CG TYR A 48 11.257 -3.138 -8.144 1.00 0.00 C ATOM 743 CD1 TYR A 48 11.160 -4.238 -7.279 1.00 0.00 C ATOM 744 CD2 TYR A 48 10.899 -3.265 -9.492 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.701 -5.473 -7.762 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.449 -4.493 -9.986 1.00 0.00 C ATOM 747 CZ TYR A 48 10.339 -5.604 -9.120 1.00 0.00 C ATOM 748 OH TYR A 48 9.886 -6.798 -9.599 1.00 0.00 O ATOM 0 H TYR A 48 12.837 0.188 -6.881 1.00 0.00 H new ATOM 0 HA TYR A 48 13.686 -2.477 -6.917 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.350 -1.627 -6.646 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.375 -1.017 -8.289 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.439 -4.134 -6.241 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.971 -2.413 -10.151 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.625 -6.320 -7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.186 -4.592 -11.029 1.00 0.00 H new ATOM 0 HH TYR A 48 9.681 -6.711 -10.553 1.00 0.00 H new ATOM 1605 N MET C 1 8.662 -2.166 10.654 1.00 0.00 N ATOM 1606 CA MET C 1 8.002 -1.349 9.613 1.00 0.00 C ATOM 1607 C MET C 1 9.035 -0.780 8.645 1.00 0.00 C ATOM 1608 O MET C 1 10.125 -0.396 9.063 1.00 0.00 O ATOM 1609 CB MET C 1 7.216 -0.197 10.251 1.00 0.00 C ATOM 1610 CG MET C 1 6.284 0.513 9.270 1.00 0.00 C ATOM 1611 SD MET C 1 4.697 -0.309 9.015 1.00 0.00 S ATOM 1612 CE MET C 1 3.929 0.208 10.569 1.00 0.00 C ATOM 0 H1 MET C 1 8.302 -1.892 11.590 1.00 0.00 H new ATOM 0 H2 MET C 1 8.460 -3.172 10.486 1.00 0.00 H new ATOM 0 H3 MET C 1 9.689 -2.009 10.619 1.00 0.00 H new ATOM 0 HA MET C 1 7.314 -1.993 9.066 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.629 -0.584 11.084 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.918 0.528 10.665 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.101 1.525 9.631 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.790 0.604 8.309 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.533 -0.665 11.088 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.673 0.697 11.198 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.117 0.904 10.360 1.00 0.00 H new ATOM 1624 N LEU C 2 8.684 -0.729 7.359 1.00 0.00 N ATOM 1625 CA LEU C 2 9.475 -0.073 6.330 1.00 0.00 C ATOM 1626 C LEU C 2 8.552 0.968 5.718 1.00 0.00 C ATOM 1627 O LEU C 2 7.449 0.636 5.293 1.00 0.00 O ATOM 1628 CB LEU C 2 9.982 -1.135 5.350 1.00 0.00 C ATOM 1629 CG LEU C 2 10.862 -0.605 4.207 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.011 -0.020 3.082 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.857 0.450 4.691 1.00 0.00 C ATOM 0 H LEU C 2 7.827 -1.151 7.003 1.00 0.00 H new ATOM 0 HA LEU C 2 10.371 0.429 6.696 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.549 -1.880 5.908 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.122 -1.647 4.918 1.00 0.00 H new ATOM 0 HG LEU C 2 11.424 -1.459 3.828 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.661 0.347 2.287 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.353 -0.792 2.685 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.411 0.804 3.470 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.458 0.796 3.850 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.314 1.292 5.120 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.509 0.015 5.448 1.00 0.00 H new ATOM 1643 N ILE C 3 8.992 2.226 5.669 1.00 0.00 N ATOM 1644 CA ILE C 3 8.098 3.340 5.382 1.00 0.00 C ATOM 1645 C ILE C 3 8.587 4.166 4.206 1.00 0.00 C ATOM 1646 O ILE C 3 9.788 4.239 3.945 1.00 0.00 O ATOM 1647 CB ILE C 3 7.997 4.190 6.652 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.486 3.308 7.793 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.061 5.385 6.476 1.00 0.00 C ATOM 1650 CD1 ILE C 3 7.698 3.979 9.139 1.00 0.00 C ATOM 0 H ILE C 3 9.963 2.495 5.825 1.00 0.00 H new ATOM 0 HA ILE C 3 7.116 2.962 5.098 1.00 0.00 H new ATOM 0 HB ILE C 3 8.989 4.584 6.876 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.426 3.100 7.650 1.00 0.00 H new ATOM 0 HG13 ILE C 3 8.004 2.349 7.776 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.023 5.957 7.403 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.431 6.022 5.672 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.061 5.030 6.227 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.326 3.330 9.932 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.762 4.163 9.290 1.00 0.00 H new ATOM 0 HD13 ILE C 3 7.159 4.926 9.162 1.00 0.00 H new ATOM 1662 N LEU C 4 7.632 4.788 3.518 1.00 0.00 N ATOM 1663 CA LEU C 4 7.867 5.601 2.343 1.00 0.00 C ATOM 1664 C LEU C 4 6.880 6.762 2.320 1.00 0.00 C ATOM 1665 O LEU C 4 5.831 6.711 2.958 1.00 0.00 O ATOM 1666 CB LEU C 4 7.687 4.745 1.086 1.00 0.00 C ATOM 1667 CG LEU C 4 8.724 3.625 0.966 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.393 2.785 -0.260 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.129 4.179 0.762 1.00 0.00 C ATOM 0 H LEU C 4 6.647 4.734 3.776 1.00 0.00 H new ATOM 0 HA LEU C 4 8.883 5.994 2.370 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.689 4.308 1.092 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.750 5.385 0.206 1.00 0.00 H new ATOM 0 HG LEU C 4 8.695 3.043 1.887 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.124 1.982 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.397 2.357 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.422 3.413 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.837 3.354 0.681 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.157 4.772 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.399 4.807 1.611 1.00 0.00 H new ATOM 1681 N THR C 5 7.223 7.811 1.576 1.00 0.00 N ATOM 1682 CA THR C 5 6.353 8.957 1.373 1.00 0.00 C ATOM 1683 C THR C 5 6.236 9.173 -0.129 1.00 0.00 C ATOM 1684 O THR C 5 7.244 9.227 -0.835 1.00 0.00 O ATOM 1685 CB THR C 5 6.918 10.187 2.090 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.085 9.908 3.467 1.00 0.00 O ATOM 1687 CG2 THR C 5 5.968 11.371 1.963 1.00 0.00 C ATOM 0 H THR C 5 8.120 7.886 1.096 1.00 0.00 H new ATOM 0 HA THR C 5 5.363 8.783 1.794 1.00 0.00 H new ATOM 0 HB THR C 5 7.875 10.431 1.628 1.00 0.00 H new ATOM 0 HG1 THR C 5 7.448 10.698 3.919 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.390 12.233 2.480 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.827 11.613 0.910 1.00 0.00 H new ATOM 0 HG23 THR C 5 5.007 11.116 2.409 1.00 0.00 H new ATOM 1695 N ARG C 6 4.999 9.293 -0.617 1.00 0.00 N ATOM 1696 CA ARG C 6 4.707 9.313 -2.041 1.00 0.00 C ATOM 1697 C ARG C 6 3.625 10.342 -2.344 1.00 0.00 C ATOM 1698 O ARG C 6 3.232 11.096 -1.455 1.00 0.00 O ATOM 1699 CB ARG C 6 4.256 7.921 -2.490 1.00 0.00 C ATOM 1700 CG ARG C 6 5.093 6.820 -1.835 1.00 0.00 C ATOM 1701 CD ARG C 6 4.782 5.478 -2.486 1.00 0.00 C ATOM 1702 NE ARG C 6 3.342 5.199 -2.555 1.00 0.00 N ATOM 1703 CZ ARG C 6 2.695 4.322 -1.783 1.00 0.00 C ATOM 1704 NH1 ARG C 6 3.311 3.693 -0.789 1.00 0.00 N ATOM 1705 NH2 ARG C 6 1.410 4.066 -2.012 1.00 0.00 N ATOM 0 H ARG C 6 4.171 9.379 -0.027 1.00 0.00 H new ATOM 0 HA ARG C 6 5.608 9.591 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.205 7.779 -2.237 1.00 0.00 H new ATOM 0 HB3 ARG C 6 4.336 7.844 -3.574 1.00 0.00 H new ATOM 0 HG2 ARG C 6 6.154 7.047 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG C 6 4.879 6.775 -0.767 1.00 0.00 H new ATOM 0 HD2 ARG C 6 5.199 5.463 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.275 4.684 -1.925 1.00 0.00 H new ATOM 0 HE ARG C 6 2.795 5.714 -3.245 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.297 3.876 -0.603 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.798 3.027 -0.211 1.00 0.00 H new ATOM 0 HH21 ARG C 6 0.924 4.539 -2.774 1.00 0.00 H new ATOM 0 HH22 ARG C 6 0.911 3.397 -1.426 1.00 0.00 H new ATOM 1719 N LYS C 7 3.140 10.376 -3.585 1.00 0.00 N ATOM 1720 CA LYS C 7 2.022 11.236 -3.955 1.00 0.00 C ATOM 1721 C LYS C 7 1.042 10.486 -4.831 1.00 0.00 C ATOM 1722 O LYS C 7 1.356 9.412 -5.339 1.00 0.00 O ATOM 1723 CB LYS C 7 2.500 12.502 -4.669 1.00 0.00 C ATOM 1724 CG LYS C 7 3.077 12.222 -6.059 1.00 0.00 C ATOM 1725 CD LYS C 7 3.416 13.527 -6.784 1.00 0.00 C ATOM 1726 CE LYS C 7 4.295 14.433 -5.920 1.00 0.00 C ATOM 1727 NZ LYS C 7 5.550 13.763 -5.529 1.00 0.00 N ATOM 0 H LYS C 7 3.508 9.814 -4.353 1.00 0.00 H new ATOM 0 HA LYS C 7 1.520 11.536 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS C 7 1.666 13.198 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS C 7 3.258 12.993 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.973 11.609 -5.968 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.358 11.651 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS C 7 3.930 13.303 -7.719 1.00 0.00 H new ATOM 0 HD3 LYS C 7 2.496 14.050 -7.044 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.526 15.347 -6.468 1.00 0.00 H new ATOM 0 HE3 LYS C 7 3.746 14.728 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 6.350 14.411 -5.675 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.502 13.494 -4.526 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 5.684 12.911 -6.110 1.00 0.00 H new ATOM 1741 N VAL C 8 -0.149 11.058 -5.005 1.00 0.00 N ATOM 1742 CA VAL C 8 -1.177 10.413 -5.800 1.00 0.00 C ATOM 1743 C VAL C 8 -0.686 10.147 -7.215 1.00 0.00 C ATOM 1744 O VAL C 8 -0.384 11.072 -7.971 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.482 11.205 -5.748 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.905 11.298 -4.285 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.396 12.624 -6.304 1.00 0.00 C ATOM 0 H VAL C 8 -0.418 11.958 -4.608 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.396 9.436 -5.369 1.00 0.00 H new ATOM 0 HB VAL C 8 -3.195 10.674 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.836 11.859 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -3.053 10.295 -3.884 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -2.129 11.806 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.370 13.106 -6.224 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.662 13.194 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -2.094 12.587 -7.351 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.612 8.860 -7.553 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.155 8.391 -8.853 1.00 0.00 C ATOM 1759 C GLY C 9 1.134 7.572 -8.776 1.00 0.00 C ATOM 1760 O GLY C 9 1.462 6.874 -9.738 1.00 0.00 O ATOM 0 H GLY C 9 -0.873 8.105 -6.919 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -0.937 7.784 -9.309 1.00 0.00 H new ATOM 0 HA3 GLY C 9 0.005 9.249 -9.506 1.00 0.00 H new ATOM 1764 N GLU C 10 1.873 7.640 -7.663 1.00 0.00 N ATOM 1765 CA GLU C 10 3.102 6.865 -7.513 1.00 0.00 C ATOM 1766 C GLU C 10 2.805 5.377 -7.328 1.00 0.00 C ATOM 1767 O GLU C 10 1.667 4.982 -7.067 1.00 0.00 O ATOM 1768 CB GLU C 10 3.918 7.366 -6.314 1.00 0.00 C ATOM 1769 CG GLU C 10 4.511 8.759 -6.564 1.00 0.00 C ATOM 1770 CD GLU C 10 5.685 9.045 -5.625 1.00 0.00 C ATOM 1771 OE1 GLU C 10 6.567 8.168 -5.508 1.00 0.00 O ATOM 1772 OE2 GLU C 10 5.687 10.141 -5.027 1.00 0.00 O ATOM 0 H GLU C 10 1.640 8.222 -6.858 1.00 0.00 H new ATOM 0 HA GLU C 10 3.679 6.998 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.282 7.396 -5.430 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.723 6.662 -6.104 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.845 8.833 -7.599 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.739 9.515 -6.423 1.00 0.00 H new ATOM 1779 N SER C 11 3.842 4.545 -7.465 1.00 0.00 N ATOM 1780 CA SER C 11 3.733 3.100 -7.325 1.00 0.00 C ATOM 1781 C SER C 11 4.928 2.547 -6.559 1.00 0.00 C ATOM 1782 O SER C 11 5.991 3.169 -6.525 1.00 0.00 O ATOM 1783 CB SER C 11 3.656 2.443 -8.705 1.00 0.00 C ATOM 1784 OG SER C 11 2.509 2.878 -9.405 1.00 0.00 O ATOM 0 H SER C 11 4.787 4.864 -7.678 1.00 0.00 H new ATOM 0 HA SER C 11 2.823 2.875 -6.768 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.551 2.685 -9.278 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.631 1.359 -8.596 1.00 0.00 H new ATOM 0 HG SER C 11 1.728 2.369 -9.102 1.00 0.00 H new ATOM 1790 N ILE C 12 4.745 1.374 -5.944 1.00 0.00 N ATOM 1791 CA ILE C 12 5.706 0.718 -5.059 1.00 0.00 C ATOM 1792 C ILE C 12 5.700 -0.782 -5.361 1.00 0.00 C ATOM 1793 O ILE C 12 4.752 -1.273 -5.970 1.00 0.00 O ATOM 1794 CB ILE C 12 5.292 1.001 -3.605 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.369 2.500 -3.284 1.00 0.00 C ATOM 1796 CG2 ILE C 12 6.145 0.227 -2.590 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.776 3.078 -3.455 1.00 0.00 C ATOM 0 H ILE C 12 3.886 0.835 -6.056 1.00 0.00 H new ATOM 0 HA ILE C 12 6.717 1.096 -5.214 1.00 0.00 H new ATOM 0 HB ILE C 12 4.260 0.661 -3.516 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.679 3.040 -3.932 1.00 0.00 H new ATOM 0 HG13 ILE C 12 5.037 2.664 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.811 0.463 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE C 12 6.039 -0.843 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE C 12 7.191 0.511 -2.702 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.765 4.141 -3.213 1.00 0.00 H new ATOM 0 HD12 ILE C 12 7.465 2.561 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE C 12 7.101 2.944 -4.487 1.00 0.00 H new ATOM 1809 N ASN C 13 6.740 -1.514 -4.950 1.00 0.00 N ATOM 1810 CA ASN C 13 6.882 -2.922 -5.293 1.00 0.00 C ATOM 1811 C ASN C 13 7.084 -3.787 -4.053 1.00 0.00 C ATOM 1812 O ASN C 13 7.634 -3.332 -3.051 1.00 0.00 O ATOM 1813 CB ASN C 13 8.072 -3.074 -6.244 1.00 0.00 C ATOM 1814 CG ASN C 13 7.927 -2.184 -7.469 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.518 -1.111 -7.528 1.00 0.00 O ATOM 1816 ND2 ASN C 13 7.144 -2.614 -8.453 1.00 0.00 N ATOM 0 H ASN C 13 7.498 -1.146 -4.375 1.00 0.00 H new ATOM 0 HA ASN C 13 5.965 -3.261 -5.775 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.993 -2.823 -5.718 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.157 -4.114 -6.557 1.00 0.00 H new ATOM 0 HD21 ASN C 13 7.020 -2.046 -9.291 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.668 -3.512 -8.370 1.00 0.00 H new ATOM 1823 N ILE C 14 6.632 -5.045 -4.145 1.00 0.00 N ATOM 1824 CA ILE C 14 6.763 -6.035 -3.084 1.00 0.00 C ATOM 1825 C ILE C 14 7.059 -7.391 -3.715 1.00 0.00 C ATOM 1826 O ILE C 14 6.415 -7.778 -4.690 1.00 0.00 O ATOM 1827 CB ILE C 14 5.475 -6.116 -2.246 1.00 0.00 C ATOM 1828 CG1 ILE C 14 5.147 -4.745 -1.642 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.621 -7.187 -1.157 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.878 -4.778 -0.794 1.00 0.00 C ATOM 0 H ILE C 14 6.159 -5.402 -4.975 1.00 0.00 H new ATOM 0 HA ILE C 14 7.577 -5.743 -2.420 1.00 0.00 H new ATOM 0 HB ILE C 14 4.645 -6.403 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.984 -4.410 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE C 14 5.028 -4.016 -2.443 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.704 -7.236 -0.570 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.807 -8.155 -1.622 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.456 -6.931 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.686 -3.785 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.035 -5.086 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE C 14 4.006 -5.487 0.024 1.00 0.00 H new ATOM 1842 N GLY C 15 8.028 -8.116 -3.153 1.00 0.00 N ATOM 1843 CA GLY C 15 8.425 -9.416 -3.668 1.00 0.00 C ATOM 1844 C GLY C 15 8.765 -9.317 -5.153 1.00 0.00 C ATOM 1845 O GLY C 15 9.341 -8.323 -5.599 1.00 0.00 O ATOM 0 H GLY C 15 8.554 -7.815 -2.332 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.288 -9.786 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.619 -10.135 -3.520 1.00 0.00 H new ATOM 1849 N ASP C 16 8.406 -10.356 -5.912 1.00 0.00 N ATOM 1850 CA ASP C 16 8.624 -10.412 -7.347 1.00 0.00 C ATOM 1851 C ASP C 16 7.306 -10.675 -8.071 1.00 0.00 C ATOM 1852 O ASP C 16 7.303 -11.036 -9.248 1.00 0.00 O ATOM 1853 CB ASP C 16 9.666 -11.488 -7.667 1.00 0.00 C ATOM 1854 CG ASP C 16 11.002 -11.194 -6.996 1.00 0.00 C ATOM 1855 OD1 ASP C 16 11.743 -10.342 -7.536 1.00 0.00 O ATOM 1856 OD2 ASP C 16 11.274 -11.821 -5.946 1.00 0.00 O ATOM 0 H ASP C 16 7.951 -11.188 -5.536 1.00 0.00 H new ATOM 0 HA ASP C 16 9.006 -9.453 -7.697 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.299 -12.460 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP C 16 9.806 -11.550 -8.746 1.00 0.00 H new ATOM 1861 N ASP C 17 6.180 -10.498 -7.373 1.00 0.00 N ATOM 1862 CA ASP C 17 4.857 -10.796 -7.904 1.00 0.00 C ATOM 1863 C ASP C 17 3.818 -9.737 -7.528 1.00 0.00 C ATOM 1864 O ASP C 17 2.657 -9.881 -7.903 1.00 0.00 O ATOM 1865 CB ASP C 17 4.395 -12.162 -7.393 1.00 0.00 C ATOM 1866 CG ASP C 17 5.350 -13.280 -7.804 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.220 -13.757 -8.956 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.205 -13.651 -6.969 1.00 0.00 O ATOM 0 H ASP C 17 6.167 -10.141 -6.418 1.00 0.00 H new ATOM 0 HA ASP C 17 4.940 -10.800 -8.991 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.316 -12.134 -6.306 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.399 -12.376 -7.780 1.00 0.00 H new ATOM 1873 N ILE C 18 4.196 -8.677 -6.802 1.00 0.00 N ATOM 1874 CA ILE C 18 3.223 -7.685 -6.374 1.00 0.00 C ATOM 1875 C ILE C 18 3.728 -6.266 -6.617 1.00 0.00 C ATOM 1876 O ILE C 18 4.925 -5.986 -6.540 1.00 0.00 O ATOM 1877 CB ILE C 18 2.874 -7.879 -4.887 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.376 -9.296 -4.583 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.789 -6.886 -4.472 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.525 -10.172 -4.085 1.00 0.00 C ATOM 0 H ILE C 18 5.155 -8.493 -6.506 1.00 0.00 H new ATOM 0 HA ILE C 18 2.322 -7.827 -6.971 1.00 0.00 H new ATOM 0 HB ILE C 18 3.792 -7.710 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.588 -9.257 -3.831 1.00 0.00 H new ATOM 0 HG13 ILE C 18 1.939 -9.735 -5.480 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.548 -7.030 -3.419 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.149 -5.869 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.896 -7.050 -5.075 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.153 -11.175 -3.874 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.300 -10.226 -4.850 1.00 0.00 H new ATOM 0 HD13 ILE C 18 3.943 -9.741 -3.175 1.00 0.00 H new ATOM 1892 N THR C 19 2.783 -5.371 -6.912 1.00 0.00 N ATOM 1893 CA THR C 19 3.022 -3.945 -7.065 1.00 0.00 C ATOM 1894 C THR C 19 1.853 -3.222 -6.410 1.00 0.00 C ATOM 1895 O THR C 19 0.752 -3.762 -6.326 1.00 0.00 O ATOM 1896 CB THR C 19 3.148 -3.608 -8.557 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.258 -4.287 -9.099 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.333 -2.114 -8.813 1.00 0.00 C ATOM 0 H THR C 19 1.807 -5.631 -7.054 1.00 0.00 H new ATOM 0 HA THR C 19 3.951 -3.632 -6.588 1.00 0.00 H new ATOM 0 HB THR C 19 2.217 -3.920 -9.030 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.339 -4.074 -10.052 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.416 -1.936 -9.885 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.475 -1.569 -8.420 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.240 -1.769 -8.317 1.00 0.00 H new ATOM 1906 N ILE C 20 2.090 -1.998 -5.941 1.00 0.00 N ATOM 1907 CA ILE C 20 1.120 -1.214 -5.186 1.00 0.00 C ATOM 1908 C ILE C 20 1.063 0.188 -5.779 1.00 0.00 C ATOM 1909 O ILE C 20 2.062 0.673 -6.307 1.00 0.00 O ATOM 1910 CB ILE C 20 1.550 -1.149 -3.710 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.752 -2.548 -3.110 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.525 -0.377 -2.880 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.456 -3.349 -3.018 1.00 0.00 C ATOM 0 H ILE C 20 2.979 -1.517 -6.079 1.00 0.00 H new ATOM 0 HA ILE C 20 0.134 -1.676 -5.243 1.00 0.00 H new ATOM 0 HB ILE C 20 2.506 -0.626 -3.680 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.470 -3.098 -3.718 1.00 0.00 H new ATOM 0 HG13 ILE C 20 2.185 -2.451 -2.114 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.850 -0.344 -1.840 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.436 0.639 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.443 -0.875 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.663 -4.328 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.256 -2.818 -2.387 1.00 0.00 H new ATOM 0 HD13 ILE C 20 0.034 -3.474 -4.015 1.00 0.00 H new ATOM 1925 N THR C 21 -0.098 0.841 -5.696 1.00 0.00 N ATOM 1926 CA THR C 21 -0.277 2.172 -6.260 1.00 0.00 C ATOM 1927 C THR C 21 -1.217 2.994 -5.381 1.00 0.00 C ATOM 1928 O THR C 21 -2.143 2.458 -4.776 1.00 0.00 O ATOM 1929 CB THR C 21 -0.851 2.043 -7.681 1.00 0.00 C ATOM 1930 OG1 THR C 21 -0.046 1.170 -8.441 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.896 3.388 -8.400 1.00 0.00 C ATOM 0 H THR C 21 -0.929 0.464 -5.241 1.00 0.00 H new ATOM 0 HA THR C 21 0.685 2.682 -6.303 1.00 0.00 H new ATOM 0 HB THR C 21 -1.866 1.659 -7.585 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.415 1.089 -9.345 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.308 3.252 -9.400 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.525 4.079 -7.839 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.113 3.794 -8.475 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.967 4.305 -5.320 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.809 5.265 -4.610 1.00 0.00 C ATOM 1941 C ILE C 22 -2.632 5.984 -5.677 1.00 0.00 C ATOM 1942 O ILE C 22 -2.210 7.011 -6.207 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.927 6.197 -3.755 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.656 7.444 -3.247 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.310 6.676 -4.514 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.877 7.080 -2.421 1.00 0.00 C ATOM 0 H ILE C 22 -0.159 4.734 -5.771 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.493 4.796 -3.903 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.645 5.578 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -0.974 8.045 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.959 8.059 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.900 7.329 -3.872 1.00 0.00 H new ATOM 0 HG22 ILE C 22 0.912 5.816 -4.808 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.001 7.224 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.369 7.990 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.570 6.501 -3.032 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.570 6.487 -1.560 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.816 5.451 -6.003 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.584 5.967 -7.130 1.00 0.00 C ATOM 1960 C LEU C 23 -5.017 7.408 -6.857 1.00 0.00 C ATOM 1961 O LEU C 23 -5.193 8.185 -7.795 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.801 5.087 -7.445 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.618 3.597 -7.150 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.905 2.851 -7.500 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.479 3.001 -7.967 1.00 0.00 C ATOM 0 H LEU C 23 -4.253 4.674 -5.507 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.938 5.949 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.653 5.453 -6.872 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.052 5.205 -8.499 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.382 3.493 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.778 1.789 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.727 3.243 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.129 2.988 -8.558 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.378 1.942 -7.732 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.693 3.118 -9.029 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.549 3.516 -7.725 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.189 7.768 -5.580 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.453 9.148 -5.184 1.00 0.00 C ATOM 1979 C GLY C 24 -6.037 9.239 -3.779 1.00 0.00 C ATOM 1980 O GLY C 24 -5.992 8.270 -3.026 1.00 0.00 O ATOM 0 H GLY C 24 -5.149 7.113 -4.800 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.527 9.721 -5.229 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.144 9.603 -5.894 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.592 10.401 -3.420 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.303 10.555 -2.154 1.00 0.00 C ATOM 1986 C VAL C 25 -8.671 11.199 -2.390 1.00 0.00 C ATOM 1987 O VAL C 25 -8.963 11.665 -3.491 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.477 11.320 -1.107 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -5.006 10.909 -1.137 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.569 12.834 -1.267 1.00 0.00 C ATOM 0 H VAL C 25 -6.561 11.246 -3.990 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.462 9.560 -1.738 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.913 11.050 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.456 11.472 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.922 9.843 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.590 11.119 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.965 13.318 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -6.200 13.119 -2.252 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.608 13.148 -1.164 1.00 0.00 H new ATOM 2000 N SER C 26 -9.501 11.213 -1.346 1.00 0.00 N ATOM 2001 CA SER C 26 -10.879 11.669 -1.423 1.00 0.00 C ATOM 2002 C SER C 26 -11.279 12.323 -0.103 1.00 0.00 C ATOM 2003 O SER C 26 -12.327 12.013 0.463 1.00 0.00 O ATOM 2004 CB SER C 26 -11.770 10.464 -1.717 1.00 0.00 C ATOM 2005 OG SER C 26 -11.852 10.256 -3.111 1.00 0.00 O ATOM 0 H SER C 26 -9.226 10.903 -0.414 1.00 0.00 H new ATOM 0 HA SER C 26 -10.991 12.407 -2.217 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.367 9.575 -1.231 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.766 10.628 -1.306 1.00 0.00 H new ATOM 0 HG SER C 26 -11.047 10.611 -3.543 1.00 0.00 H new ATOM 2011 N GLY C 27 -10.441 13.229 0.396 1.00 0.00 N ATOM 2012 CA GLY C 27 -10.601 13.792 1.722 1.00 0.00 C ATOM 2013 C GLY C 27 -9.538 13.162 2.611 1.00 0.00 C ATOM 2014 O GLY C 27 -8.427 12.915 2.145 1.00 0.00 O ATOM 0 H GLY C 27 -9.634 13.589 -0.113 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -10.487 14.876 1.696 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -11.598 13.585 2.110 1.00 0.00 H new ATOM 2018 N GLN C 28 -9.858 12.893 3.880 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.897 12.233 4.753 1.00 0.00 C ATOM 2020 C GLN C 28 -8.926 10.715 4.536 1.00 0.00 C ATOM 2021 O GLN C 28 -8.205 9.963 5.204 1.00 0.00 O ATOM 2022 CB GLN C 28 -9.121 12.645 6.208 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.823 12.489 7.005 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.701 13.330 6.401 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -5.910 12.735 5.509 1.00 0.00 O flip ATOM 2026 NE2 GLN C 28 -6.546 14.505 6.729 1.00 0.00 N flip ATOM 0 H GLN C 28 -10.754 13.117 4.313 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.889 12.559 4.495 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.462 13.679 6.253 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -9.905 12.031 6.651 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.990 12.789 8.039 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -7.527 11.440 7.021 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -7.170 14.930 7.415 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -5.793 15.055 6.315 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.766 10.269 3.596 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.730 8.905 3.098 1.00 0.00 C ATOM 2037 C GLN C 29 -8.775 8.855 1.908 1.00 0.00 C ATOM 2038 O GLN C 29 -8.436 9.887 1.327 1.00 0.00 O ATOM 2039 CB GLN C 29 -11.132 8.409 2.728 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.796 9.223 1.623 1.00 0.00 C ATOM 2041 CD GLN C 29 -13.028 8.498 1.095 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -13.118 8.197 -0.091 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.993 8.205 1.963 1.00 0.00 N ATOM 0 H GLN C 29 -10.486 10.849 3.165 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.369 8.235 3.878 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -11.068 7.368 2.412 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.763 8.435 3.616 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -12.079 10.204 2.005 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -11.089 9.390 0.811 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -13.893 8.466 2.944 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.832 7.719 1.648 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.339 7.651 1.541 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.311 7.435 0.537 1.00 0.00 C ATOM 2054 C VAL C 30 -7.725 6.259 -0.338 1.00 0.00 C ATOM 2055 O VAL C 30 -8.400 5.339 0.129 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.973 7.168 1.239 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.861 6.893 0.229 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.549 8.378 2.074 1.00 0.00 C ATOM 0 H VAL C 30 -8.700 6.786 1.943 1.00 0.00 H new ATOM 0 HA VAL C 30 -7.193 8.314 -0.096 1.00 0.00 H new ATOM 0 HB VAL C 30 -6.121 6.296 1.876 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.926 6.708 0.758 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -5.120 6.018 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.742 7.756 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.598 8.167 2.563 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.439 9.247 1.425 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -6.308 8.583 2.829 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.316 6.294 -1.607 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.658 5.291 -2.601 1.00 0.00 C ATOM 2070 C ARG C 31 -6.384 4.577 -3.024 1.00 0.00 C ATOM 2071 O ARG C 31 -5.478 5.191 -3.588 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.299 5.993 -3.798 1.00 0.00 C ATOM 2073 CG ARG C 31 -8.619 5.011 -4.917 1.00 0.00 C ATOM 2074 CD ARG C 31 -9.928 4.284 -4.639 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.074 5.096 -5.065 1.00 0.00 N ATOM 2076 CZ ARG C 31 -11.467 5.211 -6.337 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -10.849 4.536 -7.304 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -12.484 6.005 -6.656 1.00 0.00 N ATOM 0 H ARG C 31 -6.725 7.040 -1.975 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.360 4.561 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.213 6.494 -3.480 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -7.626 6.765 -4.172 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.688 5.543 -5.866 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -7.810 4.288 -5.015 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -9.938 3.329 -5.164 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -10.008 4.063 -3.575 1.00 0.00 H new ATOM 0 HE ARG C 31 -11.599 5.600 -4.351 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.066 3.923 -7.078 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.158 4.632 -8.271 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -12.969 6.530 -5.928 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -12.780 6.089 -7.629 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.324 3.277 -2.752 1.00 0.00 N ATOM 2093 CA ILE C 32 -5.122 2.488 -2.968 1.00 0.00 C ATOM 2094 C ILE C 32 -5.463 1.298 -3.852 1.00 0.00 C ATOM 2095 O ILE C 32 -6.563 0.756 -3.770 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.571 2.032 -1.607 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -4.347 3.251 -0.704 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -3.265 1.257 -1.798 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.837 2.855 0.683 1.00 0.00 C ATOM 0 H ILE C 32 -7.108 2.744 -2.376 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.356 3.081 -3.468 1.00 0.00 H new ATOM 0 HB ILE C 32 -5.295 1.371 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.630 3.923 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -5.282 3.803 -0.602 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.885 0.940 -0.827 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.449 0.381 -2.420 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.529 1.898 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.693 3.751 1.287 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.566 2.204 1.167 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.888 2.327 0.585 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.517 0.896 -4.695 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.701 -0.219 -5.601 1.00 0.00 C ATOM 2113 C GLY C 33 -3.550 -1.201 -5.452 1.00 0.00 C ATOM 2114 O GLY C 33 -2.467 -0.841 -4.994 1.00 0.00 O ATOM 0 H GLY C 33 -3.601 1.339 -4.765 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.647 -0.718 -5.390 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.753 0.141 -6.629 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.800 -2.450 -5.840 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.856 -3.535 -5.700 1.00 0.00 C ATOM 2120 C ILE C 34 -2.835 -4.315 -7.003 1.00 0.00 C ATOM 2121 O ILE C 34 -3.849 -4.421 -7.688 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.268 -4.415 -4.513 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.340 -3.569 -3.236 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.280 -5.569 -4.322 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -3.901 -4.353 -2.053 1.00 0.00 C ATOM 0 H ILE C 34 -4.682 -2.732 -6.267 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.851 -3.163 -5.500 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.251 -4.837 -4.721 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.343 -3.204 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -3.964 -2.694 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.593 -6.179 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.259 -6.182 -5.223 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.284 -5.168 -4.132 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.932 -3.711 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -4.909 -4.695 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.263 -5.214 -1.852 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.670 -4.861 -7.338 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.462 -5.544 -8.602 1.00 0.00 C ATOM 2139 C ASN C 35 -0.677 -6.819 -8.331 1.00 0.00 C ATOM 2140 O ASN C 35 0.551 -6.811 -8.301 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.728 -4.609 -9.562 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.570 -5.215 -10.950 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.136 -6.262 -11.249 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.200 -4.556 -11.811 1.00 0.00 N ATOM 0 H ASN C 35 -0.846 -4.840 -6.738 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.409 -5.815 -9.069 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.274 -3.669 -9.638 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.256 -4.374 -9.156 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.336 -4.918 -12.755 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.655 -3.688 -11.528 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.412 -7.912 -8.135 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.834 -9.205 -7.800 1.00 0.00 C ATOM 2153 C ALA C 36 -1.606 -10.327 -8.487 1.00 0.00 C ATOM 2154 O ALA C 36 -2.765 -10.149 -8.859 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.905 -9.392 -6.289 1.00 0.00 C ATOM 0 H ALA C 36 -2.430 -7.922 -8.205 1.00 0.00 H new ATOM 0 HA ALA C 36 0.201 -9.238 -8.139 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.475 -10.357 -6.021 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.345 -8.597 -5.797 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -1.946 -9.356 -5.966 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.968 -11.492 -8.652 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.614 -12.684 -9.166 1.00 0.00 C ATOM 2163 C PRO C 37 -2.667 -13.181 -8.183 1.00 0.00 C ATOM 2164 O PRO C 37 -2.627 -12.868 -6.993 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.492 -13.710 -9.307 1.00 0.00 C ATOM 2166 CG PRO C 37 0.582 -13.248 -8.331 1.00 0.00 C ATOM 2167 CD PRO C 37 0.430 -11.737 -8.350 1.00 0.00 C ATOM 0 HA PRO C 37 -2.124 -12.501 -10.112 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.841 -14.714 -9.065 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.111 -13.742 -10.328 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.424 -13.657 -7.333 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.577 -13.558 -8.649 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.706 -11.303 -7.389 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.079 -11.287 -9.101 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.623 -13.970 -8.678 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.618 -14.614 -7.826 1.00 0.00 C ATOM 2177 C LYS C 38 -3.963 -15.728 -7.011 1.00 0.00 C ATOM 2178 O LYS C 38 -4.622 -16.394 -6.214 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.775 -15.128 -8.684 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.415 -13.981 -9.478 1.00 0.00 C ATOM 2181 CD LYS C 38 -7.081 -12.951 -8.567 1.00 0.00 C ATOM 2182 CE LYS C 38 -8.481 -13.394 -8.132 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.413 -13.405 -9.273 1.00 0.00 N ATOM 0 H LYS C 38 -3.727 -14.178 -9.671 1.00 0.00 H new ATOM 0 HA LYS C 38 -5.027 -13.892 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.413 -15.894 -9.370 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.525 -15.599 -8.048 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.652 -13.490 -10.083 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -7.156 -14.387 -10.167 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -6.460 -12.791 -7.685 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -7.148 -11.996 -9.087 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.430 -14.389 -7.691 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -8.855 -12.722 -7.360 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -10.391 -13.354 -8.923 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -9.222 -12.587 -9.885 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.285 -14.282 -9.817 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.659 -15.921 -7.223 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.815 -16.824 -6.456 1.00 0.00 C ATOM 2199 C ASP C 39 -1.605 -16.299 -5.034 1.00 0.00 C ATOM 2200 O ASP C 39 -1.033 -17.001 -4.201 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.465 -16.955 -7.164 1.00 0.00 C ATOM 2202 CG ASP C 39 -0.588 -17.815 -8.420 1.00 0.00 C ATOM 2203 OD1 ASP C 39 -0.504 -19.055 -8.280 1.00 0.00 O ATOM 2204 OD2 ASP C 39 -0.766 -17.231 -9.510 1.00 0.00 O ATOM 0 H ASP C 39 -2.150 -15.433 -7.960 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.302 -17.797 -6.389 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.093 -15.966 -7.431 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.264 -17.398 -6.486 1.00 0.00 H new ATOM 2209 N VAL C 40 -2.058 -15.075 -4.756 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.943 -14.448 -3.445 1.00 0.00 C ATOM 2211 C VAL C 40 -3.238 -13.710 -3.128 1.00 0.00 C ATOM 2212 O VAL C 40 -4.022 -13.406 -4.027 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.746 -13.488 -3.399 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.542 -14.195 -3.828 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.949 -12.289 -4.318 1.00 0.00 C ATOM 0 H VAL C 40 -2.521 -14.486 -5.448 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.774 -15.220 -2.694 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.665 -13.148 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.374 -13.492 -3.786 1.00 0.00 H new ATOM 0 HG12 VAL C 40 0.739 -15.031 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.431 -14.566 -4.847 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.081 -11.633 -4.257 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.072 -12.634 -5.345 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.840 -11.741 -4.010 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.462 -13.420 -1.847 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.685 -12.761 -1.411 1.00 0.00 C ATOM 2227 C ALA C 41 -4.380 -11.332 -0.976 1.00 0.00 C ATOM 2228 O ALA C 41 -3.336 -11.076 -0.381 1.00 0.00 O ATOM 2229 CB ALA C 41 -5.287 -13.567 -0.258 1.00 0.00 C ATOM 0 H ALA C 41 -2.808 -13.633 -1.094 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.402 -12.714 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -6.205 -13.087 0.081 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.511 -14.578 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.575 -13.611 0.566 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.292 -10.399 -1.272 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.109 -8.999 -0.901 1.00 0.00 C ATOM 2237 C VAL C 42 -6.457 -8.371 -0.547 1.00 0.00 C ATOM 2238 O VAL C 42 -7.378 -8.361 -1.364 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.412 -8.225 -2.033 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -2.982 -8.722 -2.234 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.113 -8.360 -3.381 1.00 0.00 C ATOM 0 H VAL C 42 -6.163 -10.592 -1.767 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.467 -8.947 -0.022 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.439 -7.183 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.511 -8.159 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.415 -8.582 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -2.998 -9.781 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -4.568 -7.789 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.142 -9.410 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.131 -7.977 -3.302 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.574 -7.843 0.675 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.812 -7.233 1.154 1.00 0.00 C ATOM 2253 C HIS C 43 -7.512 -6.276 2.303 1.00 0.00 C ATOM 2254 O HIS C 43 -6.391 -6.236 2.808 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.792 -8.289 1.682 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.803 -9.605 0.944 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.798 -10.039 0.062 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.839 -10.564 1.041 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.403 -11.258 -0.343 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.233 -11.595 0.224 1.00 0.00 N ATOM 0 H HIS C 43 -5.815 -7.828 1.356 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.257 -6.708 0.309 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.557 -8.483 2.729 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.798 -7.870 1.653 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.642 -9.538 -0.214 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.943 -10.521 1.642 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.952 -11.883 -1.032 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.514 -5.501 2.722 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.428 -4.689 3.929 1.00 0.00 C ATOM 2270 C ARG C 44 -8.579 -5.589 5.157 1.00 0.00 C ATOM 2271 O ARG C 44 -9.115 -6.690 5.055 1.00 0.00 O ATOM 2272 CB ARG C 44 -9.477 -3.572 3.887 1.00 0.00 C ATOM 2273 CG ARG C 44 -10.893 -4.094 3.630 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.861 -2.924 3.447 1.00 0.00 C ATOM 2275 NE ARG C 44 -12.059 -2.194 4.703 1.00 0.00 N ATOM 2276 CZ ARG C 44 -13.102 -2.372 5.522 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -14.080 -3.219 5.217 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -13.176 -1.697 6.665 1.00 0.00 N ATOM 0 H ARG C 44 -9.405 -5.421 2.232 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.453 -4.206 3.990 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -9.461 -3.030 4.832 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -9.211 -2.859 3.106 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -10.900 -4.724 2.741 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -11.216 -4.716 4.465 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.475 -2.245 2.687 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -12.820 -3.296 3.085 1.00 0.00 H new ATOM 0 HE ARG C 44 -11.356 -1.505 4.970 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -14.044 -3.747 4.345 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -14.867 -3.341 5.855 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -12.437 -1.042 6.919 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -13.972 -1.834 7.288 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.108 -5.118 6.316 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.108 -5.886 7.562 1.00 0.00 C ATOM 2294 C GLU C 45 -9.458 -6.532 7.875 1.00 0.00 C ATOM 2295 O GLU C 45 -9.493 -7.627 8.426 1.00 0.00 O ATOM 2296 CB GLU C 45 -7.717 -4.959 8.716 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.199 -4.859 8.858 1.00 0.00 C ATOM 2298 CD GLU C 45 -5.591 -6.126 9.467 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.362 -6.937 10.037 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -4.354 -6.275 9.362 1.00 0.00 O ATOM 0 H GLU C 45 -7.712 -4.183 6.415 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.389 -6.696 7.439 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.135 -3.967 8.546 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.148 -5.331 9.646 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -5.755 -4.679 7.879 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -5.950 -4.002 9.483 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.568 -5.876 7.533 1.00 0.00 N ATOM 2308 CA GLU C 46 -11.874 -6.411 7.894 1.00 0.00 C ATOM 2309 C GLU C 46 -12.134 -7.742 7.199 1.00 0.00 C ATOM 2310 O GLU C 46 -12.844 -8.590 7.738 1.00 0.00 O ATOM 2311 CB GLU C 46 -12.962 -5.407 7.506 1.00 0.00 C ATOM 2312 CG GLU C 46 -14.309 -5.784 8.125 1.00 0.00 C ATOM 2313 CD GLU C 46 -15.414 -4.811 7.715 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -15.170 -3.586 7.776 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -16.503 -5.303 7.337 1.00 0.00 O ATOM 0 H GLU C 46 -10.588 -4.995 7.019 1.00 0.00 H new ATOM 0 HA GLU C 46 -11.891 -6.580 8.971 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -12.674 -4.409 7.836 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -13.055 -5.369 6.421 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -14.581 -6.794 7.817 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -14.219 -5.796 9.211 1.00 0.00 H new ATOM 2322 N ILE C 47 -11.561 -7.928 6.007 1.00 0.00 N ATOM 2323 CA ILE C 47 -11.769 -9.141 5.235 1.00 0.00 C ATOM 2324 C ILE C 47 -10.702 -10.159 5.595 1.00 0.00 C ATOM 2325 O ILE C 47 -10.964 -11.356 5.703 1.00 0.00 O ATOM 2326 CB ILE C 47 -11.639 -8.817 3.743 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -12.411 -7.554 3.347 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -12.105 -10.013 2.915 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.834 -7.551 3.895 1.00 0.00 C ATOM 0 H ILE C 47 -10.948 -7.247 5.560 1.00 0.00 H new ATOM 0 HA ILE C 47 -12.759 -9.541 5.453 1.00 0.00 H new ATOM 0 HB ILE C 47 -10.587 -8.617 3.539 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -11.880 -6.676 3.715 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -12.442 -7.475 2.260 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -12.011 -9.780 1.854 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -11.490 -10.881 3.151 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -13.147 -10.233 3.148 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.340 -6.636 3.588 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -14.375 -8.413 3.506 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -13.805 -7.601 4.983 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.480 -9.656 5.786 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.309 -10.466 6.053 1.00 0.00 C ATOM 2343 C TYR C 48 -8.464 -11.309 7.315 1.00 0.00 C ATOM 2344 O TYR C 48 -7.930 -12.413 7.399 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.135 -9.507 6.199 1.00 0.00 C ATOM 2346 CG TYR C 48 -5.840 -10.208 6.510 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.084 -10.777 5.477 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -5.403 -10.289 7.836 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -3.873 -11.416 5.771 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.199 -10.936 8.138 1.00 0.00 C ATOM 2351 CZ TYR C 48 -3.418 -11.491 7.105 1.00 0.00 C ATOM 2352 OH TYR C 48 -2.228 -12.097 7.384 1.00 0.00 O ATOM 0 H TYR C 48 -9.283 -8.656 5.757 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.155 -11.170 5.235 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.021 -8.937 5.277 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.354 -8.791 6.991 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.434 -10.723 4.457 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -5.995 -9.852 8.627 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.286 -11.852 4.976 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -3.869 -11.010 9.164 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.062 -12.062 8.349 1.00 0.00 H new