USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 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 11 SER OG : rot -85:sc= 0.396 USER MOD Set 1.2: C 21 THR OG1 : rot 180:sc= 0.363 USER MOD Set 2.1: C 13 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Set 2.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.453 K(o=0.45,f=-1.2) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc=-0.00959 USER MOD Set 5.1: A 7 LYS NZ :NH3+ -119:sc= 0 (180deg=-1.13) USER MOD Set 5.2: C 29 GLN : amide:sc= -0.175 K(o=-0.17,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 174:sc=-0.00366 (180deg=-0.031) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0349 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 18:sc= 0.0314 USER MOD Single : A 28 GLN : amide:sc= -0.863 X(o=-0.86,f=-0.37) USER MOD Single : A 29 GLN : amide:sc= -0.0193 K(o=-0.019,f=-3!) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.157) USER MOD Single : A 43 HIS : no HE2:sc= -3.52 K(o=-3.5,f=-4.9!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -131:sc= -0.008 (180deg=-0.196) USER MOD Single : C 1 MET N :NH3+ -108:sc= 0.0531 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 160:sc= -0.292 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -1.3! C(o=-1.3!,f=-5.7!) USER MOD Single : C 35 ASN : amide:sc= -0.0147 K(o=-0.015,f=-1.4) USER MOD Single : C 38 LYS NZ :NH3+ -155:sc= -0.0278 (180deg=-0.278) USER MOD Single : C 43 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-3.3!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.913 -5.531 -11.300 1.00 0.00 N ATOM 2 CA MET A 1 -5.841 -4.526 -10.221 1.00 0.00 C ATOM 3 C MET A 1 -6.945 -4.760 -9.197 1.00 0.00 C ATOM 4 O MET A 1 -8.049 -5.151 -9.567 1.00 0.00 O ATOM 5 CB MET A 1 -5.982 -3.111 -10.789 1.00 0.00 C ATOM 6 CG MET A 1 -5.623 -2.034 -9.761 1.00 0.00 C ATOM 7 SD MET A 1 -3.850 -1.743 -9.561 1.00 0.00 S ATOM 8 CE MET A 1 -3.650 -0.678 -11.008 1.00 0.00 C ATOM 0 H1 MET A 1 -5.786 -5.063 -12.220 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.163 -6.239 -11.165 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.841 -6.000 -11.276 1.00 0.00 H new ATOM 0 HA MET A 1 -4.869 -4.627 -9.738 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.338 -3.006 -11.662 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.006 -2.959 -11.129 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.100 -1.099 -10.053 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.042 -2.318 -8.796 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.635 -0.281 -11.030 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.834 -1.256 -11.914 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.361 0.147 -10.954 1.00 0.00 H new ATOM 20 N LEU A 2 -6.647 -4.525 -7.919 1.00 0.00 N ATOM 21 CA LEU A 2 -7.612 -4.616 -6.839 1.00 0.00 C ATOM 22 C LEU A 2 -7.500 -3.317 -6.045 1.00 0.00 C ATOM 23 O LEU A 2 -6.407 -2.953 -5.614 1.00 0.00 O ATOM 24 CB LEU A 2 -7.276 -5.873 -6.025 1.00 0.00 C ATOM 25 CG LEU A 2 -8.158 -6.151 -4.803 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.731 -5.316 -3.601 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.634 -5.910 -5.097 1.00 0.00 C ATOM 0 H LEU A 2 -5.712 -4.262 -7.607 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.646 -4.718 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.332 -6.735 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.242 -5.796 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.024 -7.206 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.379 -5.540 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.699 -5.553 -3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.809 -4.257 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.222 -6.119 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.781 -4.871 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.956 -6.567 -5.905 1.00 0.00 H new ATOM 39 N ILE A 3 -8.625 -2.621 -5.855 1.00 0.00 N ATOM 40 CA ILE A 3 -8.622 -1.299 -5.248 1.00 0.00 C ATOM 41 C ILE A 3 -9.417 -1.307 -3.952 1.00 0.00 C ATOM 42 O ILE A 3 -10.396 -2.038 -3.816 1.00 0.00 O ATOM 43 CB ILE A 3 -9.191 -0.253 -6.218 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.317 -0.090 -7.467 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.259 1.122 -5.550 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.645 -1.107 -8.551 1.00 0.00 C ATOM 0 H ILE A 3 -9.551 -2.959 -6.117 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.590 -1.031 -5.022 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.182 -0.611 -6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.446 0.916 -7.867 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.268 -0.189 -7.187 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.665 1.849 -6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.903 1.069 -4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.258 1.430 -5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.996 -0.944 -9.411 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.489 -2.114 -8.164 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.685 -0.992 -8.855 1.00 0.00 H new ATOM 58 N LEU A 4 -8.966 -0.475 -3.012 1.00 0.00 N ATOM 59 CA LEU A 4 -9.567 -0.312 -1.703 1.00 0.00 C ATOM 60 C LEU A 4 -9.426 1.150 -1.281 1.00 0.00 C ATOM 61 O LEU A 4 -8.535 1.848 -1.768 1.00 0.00 O ATOM 62 CB LEU A 4 -8.821 -1.201 -0.694 1.00 0.00 C ATOM 63 CG LEU A 4 -8.874 -2.693 -1.030 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.907 -3.447 -0.117 1.00 0.00 C ATOM 65 CD2 LEU A 4 -10.281 -3.257 -0.824 1.00 0.00 C ATOM 0 H LEU A 4 -8.148 0.118 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.619 -0.594 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.779 -0.885 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.247 -1.046 0.297 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.596 -2.817 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.940 -4.511 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.895 -3.073 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.196 -3.296 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.287 -4.319 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.577 -3.125 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.982 -2.730 -1.471 1.00 0.00 H new ATOM 77 N THR A 5 -10.299 1.617 -0.387 1.00 0.00 N ATOM 78 CA THR A 5 -10.141 2.931 0.228 1.00 0.00 C ATOM 79 C THR A 5 -9.754 2.738 1.687 1.00 0.00 C ATOM 80 O THR A 5 -10.195 1.784 2.331 1.00 0.00 O ATOM 81 CB THR A 5 -11.408 3.787 0.130 1.00 0.00 C ATOM 82 OG1 THR A 5 -12.554 2.986 -0.028 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.321 4.781 -1.026 1.00 0.00 C ATOM 0 H THR A 5 -11.122 1.103 -0.074 1.00 0.00 H new ATOM 0 HA THR A 5 -9.362 3.467 -0.314 1.00 0.00 H new ATOM 0 HB THR A 5 -11.489 4.341 1.065 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.348 3.558 -0.086 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.236 5.372 -1.067 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.468 5.442 -0.874 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.197 4.239 -1.963 1.00 0.00 H new ATOM 91 N ARG A 6 -8.929 3.654 2.196 1.00 0.00 N ATOM 92 CA ARG A 6 -8.393 3.582 3.542 1.00 0.00 C ATOM 93 C ARG A 6 -8.181 4.987 4.086 1.00 0.00 C ATOM 94 O ARG A 6 -7.569 5.821 3.423 1.00 0.00 O ATOM 95 CB ARG A 6 -7.047 2.853 3.452 1.00 0.00 C ATOM 96 CG ARG A 6 -6.562 2.258 4.773 1.00 0.00 C ATOM 97 CD ARG A 6 -7.316 0.992 5.186 1.00 0.00 C ATOM 98 NE ARG A 6 -8.632 1.271 5.771 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.417 0.340 6.314 1.00 0.00 C ATOM 100 NH1 ARG A 6 -9.010 -0.921 6.415 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.625 0.671 6.761 1.00 0.00 N ATOM 0 H ARG A 6 -8.615 4.472 1.674 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.078 3.056 4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.129 2.053 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.294 3.550 3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.500 2.028 4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.666 3.006 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.441 0.350 4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.715 0.437 5.906 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.966 2.235 5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.086 -1.187 6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.622 -1.622 6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.949 1.635 6.688 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.227 -0.039 7.177 1.00 0.00 H new ATOM 115 N LYS A 7 -8.687 5.248 5.289 1.00 0.00 N ATOM 116 CA LYS A 7 -8.484 6.531 5.941 1.00 0.00 C ATOM 117 C LYS A 7 -7.164 6.506 6.692 1.00 0.00 C ATOM 118 O LYS A 7 -6.705 5.437 7.103 1.00 0.00 O ATOM 119 CB LYS A 7 -9.637 6.829 6.892 1.00 0.00 C ATOM 120 CG LYS A 7 -10.702 7.662 6.181 1.00 0.00 C ATOM 121 CD LYS A 7 -11.769 8.112 7.176 1.00 0.00 C ATOM 122 CE LYS A 7 -12.536 9.313 6.625 1.00 0.00 C ATOM 123 NZ LYS A 7 -13.299 8.976 5.409 1.00 0.00 N ATOM 0 H LYS A 7 -9.241 4.584 5.830 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.454 7.320 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.073 5.897 7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.268 7.366 7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.241 8.532 5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.161 7.076 5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.459 7.292 7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.303 8.374 8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.218 9.687 7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.836 10.118 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.959 9.555 4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.168 7.969 5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.309 9.166 5.569 1.00 0.00 H new ATOM 137 N VAL A 8 -6.540 7.673 6.877 1.00 0.00 N ATOM 138 CA VAL A 8 -5.285 7.702 7.607 1.00 0.00 C ATOM 139 C VAL A 8 -5.441 7.035 8.972 1.00 0.00 C ATOM 140 O VAL A 8 -6.398 7.300 9.697 1.00 0.00 O ATOM 141 CB VAL A 8 -4.740 9.124 7.738 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.516 9.700 6.341 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.638 10.070 8.521 1.00 0.00 C ATOM 0 H VAL A 8 -6.874 8.577 6.542 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.553 7.133 7.034 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.811 9.044 8.302 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.127 10.715 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.800 9.080 5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.461 9.717 5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.176 11.056 8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.607 10.145 8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.775 9.688 9.532 1.00 0.00 H new ATOM 153 N GLY A 9 -4.487 6.165 9.312 1.00 0.00 N ATOM 154 CA GLY A 9 -4.478 5.467 10.593 1.00 0.00 C ATOM 155 C GLY A 9 -5.044 4.046 10.516 1.00 0.00 C ATOM 156 O GLY A 9 -5.164 3.388 11.545 1.00 0.00 O ATOM 0 H GLY A 9 -3.702 5.927 8.706 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.455 5.423 10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.057 6.042 11.316 1.00 0.00 H new ATOM 160 N GLU A 10 -5.392 3.569 9.317 1.00 0.00 N ATOM 161 CA GLU A 10 -5.945 2.228 9.136 1.00 0.00 C ATOM 162 C GLU A 10 -4.968 1.343 8.352 1.00 0.00 C ATOM 163 O GLU A 10 -3.907 1.812 7.941 1.00 0.00 O ATOM 164 CB GLU A 10 -7.303 2.315 8.442 1.00 0.00 C ATOM 165 CG GLU A 10 -8.300 3.166 9.230 1.00 0.00 C ATOM 166 CD GLU A 10 -9.655 3.226 8.522 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.657 3.389 7.281 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.681 3.107 9.229 1.00 0.00 O ATOM 0 H GLU A 10 -5.298 4.100 8.451 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.092 1.767 10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.174 2.738 7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.708 1.311 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.427 2.750 10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.905 4.175 9.352 1.00 0.00 H new ATOM 175 N SER A 11 -5.315 0.067 8.137 1.00 0.00 N ATOM 176 CA SER A 11 -4.390 -0.895 7.541 1.00 0.00 C ATOM 177 C SER A 11 -5.050 -1.814 6.511 1.00 0.00 C ATOM 178 O SER A 11 -6.274 -1.845 6.374 1.00 0.00 O ATOM 179 CB SER A 11 -3.764 -1.741 8.651 1.00 0.00 C ATOM 180 OG SER A 11 -3.142 -0.913 9.616 1.00 0.00 O ATOM 0 H SER A 11 -6.230 -0.319 8.368 1.00 0.00 H new ATOM 0 HA SER A 11 -3.632 -0.321 7.008 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.531 -2.351 9.127 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.031 -2.426 8.225 1.00 0.00 H new ATOM 0 HG SER A 11 -2.748 -1.470 10.320 1.00 0.00 H new ATOM 186 N ILE A 12 -4.213 -2.561 5.786 1.00 0.00 N ATOM 187 CA ILE A 12 -4.582 -3.470 4.698 1.00 0.00 C ATOM 188 C ILE A 12 -3.620 -4.665 4.716 1.00 0.00 C ATOM 189 O ILE A 12 -2.545 -4.575 5.304 1.00 0.00 O ATOM 190 CB ILE A 12 -4.513 -2.708 3.362 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.607 -1.632 3.367 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.671 -3.633 2.145 1.00 0.00 C ATOM 193 CD1 ILE A 12 -5.725 -0.903 2.034 1.00 0.00 C ATOM 0 H ILE A 12 -3.207 -2.547 5.951 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.599 -3.841 4.823 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.526 -2.254 3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.564 -2.095 3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.395 -0.908 4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.615 -3.043 1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.874 -4.377 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.637 -4.136 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.514 -0.154 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.779 -0.414 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.966 -1.619 1.248 1.00 0.00 H new ATOM 205 N ASN A 13 -3.994 -5.782 4.084 1.00 0.00 N ATOM 206 CA ASN A 13 -3.183 -6.996 4.115 1.00 0.00 C ATOM 207 C ASN A 13 -2.911 -7.552 2.718 1.00 0.00 C ATOM 208 O ASN A 13 -3.690 -7.328 1.789 1.00 0.00 O ATOM 209 CB ASN A 13 -3.876 -8.068 4.963 1.00 0.00 C ATOM 210 CG ASN A 13 -2.953 -8.547 6.074 1.00 0.00 C ATOM 211 OD1 ASN A 13 -2.140 -9.444 5.873 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.073 -7.946 7.251 1.00 0.00 N ATOM 0 H ASN A 13 -4.856 -5.867 3.545 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.223 -6.728 4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.793 -7.664 5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.163 -8.909 4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.477 -8.226 8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.762 -7.204 7.377 1.00 0.00 H new ATOM 219 N ILE A 14 -1.792 -8.281 2.604 1.00 0.00 N ATOM 220 CA ILE A 14 -1.347 -8.920 1.373 1.00 0.00 C ATOM 221 C ILE A 14 -0.735 -10.275 1.720 1.00 0.00 C ATOM 222 O ILE A 14 0.127 -10.369 2.597 1.00 0.00 O ATOM 223 CB ILE A 14 -0.300 -8.045 0.665 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.849 -6.637 0.389 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.153 -8.726 -0.631 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.191 -5.738 -0.281 1.00 0.00 C ATOM 0 H ILE A 14 -1.161 -8.442 3.389 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.197 -9.052 0.703 1.00 0.00 H new ATOM 0 HB ILE A 14 0.563 -7.932 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.730 -6.710 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.171 -6.183 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.895 -8.102 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.592 -9.696 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.705 -8.864 -1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.240 -4.752 -0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.062 -5.642 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.494 -6.177 -1.232 1.00 0.00 H new ATOM 238 N GLY A 15 -1.179 -11.328 1.028 1.00 0.00 N ATOM 239 CA GLY A 15 -0.677 -12.669 1.268 1.00 0.00 C ATOM 240 C GLY A 15 -0.861 -13.062 2.731 1.00 0.00 C ATOM 241 O GLY A 15 -1.850 -12.685 3.357 1.00 0.00 O ATOM 0 H GLY A 15 -1.887 -11.269 0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.201 -13.378 0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.379 -12.720 1.003 1.00 0.00 H new ATOM 245 N ASP A 16 0.097 -13.816 3.269 1.00 0.00 N ATOM 246 CA ASP A 16 0.093 -14.236 4.664 1.00 0.00 C ATOM 247 C ASP A 16 1.395 -13.819 5.350 1.00 0.00 C ATOM 248 O ASP A 16 1.714 -14.319 6.430 1.00 0.00 O ATOM 249 CB ASP A 16 -0.181 -15.740 4.759 1.00 0.00 C ATOM 250 CG ASP A 16 0.931 -16.589 4.148 1.00 0.00 C ATOM 251 OD1 ASP A 16 1.120 -16.504 2.912 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.589 -17.326 4.920 1.00 0.00 O ATOM 0 H ASP A 16 0.903 -14.154 2.742 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.713 -13.733 5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.307 -16.015 5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.121 -15.965 4.255 1.00 0.00 H new ATOM 257 N ASP A 17 2.157 -12.907 4.734 1.00 0.00 N ATOM 258 CA ASP A 17 3.426 -12.433 5.273 1.00 0.00 C ATOM 259 C ASP A 17 3.585 -10.914 5.167 1.00 0.00 C ATOM 260 O ASP A 17 4.619 -10.396 5.585 1.00 0.00 O ATOM 261 CB ASP A 17 4.597 -13.113 4.553 1.00 0.00 C ATOM 262 CG ASP A 17 4.579 -14.627 4.715 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.834 -15.088 5.849 1.00 0.00 O ATOM 264 OD2 ASP A 17 4.315 -15.312 3.701 1.00 0.00 O ATOM 0 H ASP A 17 1.904 -12.478 3.844 1.00 0.00 H new ATOM 0 HA ASP A 17 3.430 -12.694 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.562 -12.864 3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.536 -12.720 4.942 1.00 0.00 H new ATOM 269 N ILE A 18 2.603 -10.179 4.625 1.00 0.00 N ATOM 270 CA ILE A 18 2.756 -8.738 4.462 1.00 0.00 C ATOM 271 C ILE A 18 1.508 -7.993 4.924 1.00 0.00 C ATOM 272 O ILE A 18 0.384 -8.472 4.776 1.00 0.00 O ATOM 273 CB ILE A 18 3.075 -8.385 2.999 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.290 -9.148 2.454 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.345 -6.883 2.874 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.845 -10.407 1.713 1.00 0.00 C ATOM 0 H ILE A 18 1.713 -10.556 4.300 1.00 0.00 H new ATOM 0 HA ILE A 18 3.591 -8.423 5.088 1.00 0.00 H new ATOM 0 HB ILE A 18 2.205 -8.676 2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.858 -8.505 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.955 -9.418 3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.570 -6.639 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.464 -6.327 3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.193 -6.612 3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.720 -10.935 1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.297 -11.057 2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.199 -10.130 0.880 1.00 0.00 H new ATOM 288 N THR A 19 1.729 -6.805 5.490 1.00 0.00 N ATOM 289 CA THR A 19 0.671 -5.901 5.916 1.00 0.00 C ATOM 290 C THR A 19 1.066 -4.489 5.487 1.00 0.00 C ATOM 291 O THR A 19 2.254 -4.211 5.313 1.00 0.00 O ATOM 292 CB THR A 19 0.493 -6.001 7.434 1.00 0.00 C ATOM 293 OG1 THR A 19 0.192 -7.330 7.794 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.637 -5.114 7.951 1.00 0.00 C ATOM 0 H THR A 19 2.666 -6.442 5.666 1.00 0.00 H new ATOM 0 HA THR A 19 -0.283 -6.162 5.458 1.00 0.00 H new ATOM 0 HB THR A 19 1.431 -5.669 7.879 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.081 -7.388 8.766 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.720 -5.223 9.032 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.424 -4.073 7.707 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.576 -5.411 7.484 1.00 0.00 H new ATOM 302 N ILE A 20 0.081 -3.607 5.311 1.00 0.00 N ATOM 303 CA ILE A 20 0.285 -2.248 4.830 1.00 0.00 C ATOM 304 C ILE A 20 -0.504 -1.299 5.726 1.00 0.00 C ATOM 305 O ILE A 20 -1.546 -1.678 6.253 1.00 0.00 O ATOM 306 CB ILE A 20 -0.205 -2.147 3.377 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.510 -3.132 2.445 1.00 0.00 C ATOM 308 CG2 ILE A 20 -0.036 -0.718 2.845 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.996 -2.826 2.265 1.00 0.00 C ATOM 0 H ILE A 20 -0.897 -3.825 5.503 1.00 0.00 H new ATOM 0 HA ILE A 20 1.342 -1.982 4.860 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.263 -2.411 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.400 -4.141 2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.023 -3.117 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.389 -0.669 1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.616 -0.030 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.017 -0.438 2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.440 -3.561 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.113 -1.829 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.496 -2.869 3.233 1.00 0.00 H new ATOM 321 N THR A 21 -0.005 -0.073 5.892 1.00 0.00 N ATOM 322 CA THR A 21 -0.640 0.907 6.757 1.00 0.00 C ATOM 323 C THR A 21 -0.515 2.294 6.139 1.00 0.00 C ATOM 324 O THR A 21 0.488 2.604 5.501 1.00 0.00 O ATOM 325 CB THR A 21 0.030 0.883 8.132 1.00 0.00 C ATOM 326 OG1 THR A 21 0.122 -0.445 8.606 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.760 1.701 9.150 1.00 0.00 C ATOM 0 H THR A 21 0.843 0.261 5.433 1.00 0.00 H new ATOM 0 HA THR A 21 -1.697 0.664 6.870 1.00 0.00 H new ATOM 0 HB THR A 21 1.024 1.316 8.016 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.554 -0.449 9.486 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.257 1.663 10.116 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.824 2.736 8.814 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.764 1.289 9.247 1.00 0.00 H new ATOM 335 N ILE A 22 -1.534 3.132 6.331 1.00 0.00 N ATOM 336 CA ILE A 22 -1.584 4.487 5.806 1.00 0.00 C ATOM 337 C ILE A 22 -1.385 5.445 6.977 1.00 0.00 C ATOM 338 O ILE A 22 -2.341 5.945 7.562 1.00 0.00 O ATOM 339 CB ILE A 22 -2.896 4.675 5.014 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.194 6.115 4.595 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.111 4.177 5.792 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.997 6.769 3.922 1.00 0.00 C ATOM 0 H ILE A 22 -2.363 2.877 6.868 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.789 4.699 5.091 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.726 4.082 4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.045 6.126 3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.480 6.696 5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.011 4.329 5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.994 3.115 6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.196 4.731 6.727 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.251 7.791 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.154 6.782 4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.727 6.203 3.030 1.00 0.00 H new ATOM 354 N LEU A 23 -0.118 5.701 7.327 1.00 0.00 N ATOM 355 CA LEU A 23 0.224 6.426 8.548 1.00 0.00 C ATOM 356 C LEU A 23 -0.329 7.855 8.502 1.00 0.00 C ATOM 357 O LEU A 23 -0.583 8.454 9.545 1.00 0.00 O ATOM 358 CB LEU A 23 1.741 6.420 8.807 1.00 0.00 C ATOM 359 CG LEU A 23 2.513 5.281 8.135 1.00 0.00 C ATOM 360 CD1 LEU A 23 4.008 5.488 8.362 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.111 3.920 8.699 1.00 0.00 C ATOM 0 H LEU A 23 0.689 5.413 6.774 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.245 5.908 9.385 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.155 7.369 8.466 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.910 6.367 9.883 1.00 0.00 H new ATOM 0 HG LEU A 23 2.277 5.294 7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.564 4.680 7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.313 6.441 7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.217 5.490 9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.679 3.136 8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.320 3.893 9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.046 3.758 8.534 1.00 0.00 H new ATOM 373 N GLY A 24 -0.516 8.400 7.295 1.00 0.00 N ATOM 374 CA GLY A 24 -1.177 9.685 7.100 1.00 0.00 C ATOM 375 C GLY A 24 -0.909 10.247 5.708 1.00 0.00 C ATOM 376 O GLY A 24 -0.412 9.539 4.834 1.00 0.00 O ATOM 0 H GLY A 24 -0.211 7.958 6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.251 9.568 7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.828 10.392 7.852 1.00 0.00 H new ATOM 380 N VAL A 25 -1.241 11.523 5.497 1.00 0.00 N ATOM 381 CA VAL A 25 -0.872 12.229 4.278 1.00 0.00 C ATOM 382 C VAL A 25 -0.170 13.531 4.657 1.00 0.00 C ATOM 383 O VAL A 25 -0.161 13.920 5.826 1.00 0.00 O ATOM 384 CB VAL A 25 -2.068 12.453 3.336 1.00 0.00 C ATOM 385 CG1 VAL A 25 -3.035 11.267 3.342 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.861 13.709 3.674 1.00 0.00 C ATOM 0 H VAL A 25 -1.769 12.088 6.163 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.182 11.608 3.706 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.625 12.566 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.863 11.469 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.511 10.368 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.421 11.117 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.691 13.814 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.248 13.632 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.211 14.581 3.598 1.00 0.00 H new ATOM 396 N SER A 26 0.418 14.202 3.665 1.00 0.00 N ATOM 397 CA SER A 26 1.240 15.382 3.881 1.00 0.00 C ATOM 398 C SER A 26 1.070 16.334 2.704 1.00 0.00 C ATOM 399 O SER A 26 2.041 16.838 2.144 1.00 0.00 O ATOM 400 CB SER A 26 2.700 14.943 4.024 1.00 0.00 C ATOM 401 OG SER A 26 2.946 14.539 5.354 1.00 0.00 O ATOM 0 H SER A 26 0.333 13.936 2.684 1.00 0.00 H new ATOM 0 HA SER A 26 0.936 15.902 4.790 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.912 14.122 3.339 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.365 15.763 3.754 1.00 0.00 H new ATOM 0 HG SER A 26 2.095 14.351 5.802 1.00 0.00 H new ATOM 407 N GLY A 27 -0.182 16.578 2.326 1.00 0.00 N ATOM 408 CA GLY A 27 -0.521 17.305 1.118 1.00 0.00 C ATOM 409 C GLY A 27 -1.027 16.288 0.105 1.00 0.00 C ATOM 410 O GLY A 27 -1.698 15.331 0.487 1.00 0.00 O ATOM 0 H GLY A 27 -0.995 16.271 2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.284 18.056 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.350 17.833 0.730 1.00 0.00 H new ATOM 414 N GLN A 28 -0.720 16.471 -1.180 1.00 0.00 N ATOM 415 CA GLN A 28 -1.082 15.459 -2.163 1.00 0.00 C ATOM 416 C GLN A 28 -0.108 14.281 -2.105 1.00 0.00 C ATOM 417 O GLN A 28 -0.323 13.263 -2.764 1.00 0.00 O ATOM 418 CB GLN A 28 -1.171 16.068 -3.562 1.00 0.00 C ATOM 419 CG GLN A 28 -2.512 15.679 -4.194 1.00 0.00 C ATOM 420 CD GLN A 28 -3.682 16.313 -3.445 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.010 17.476 -3.671 1.00 0.00 O ATOM 422 NE2 GLN A 28 -4.320 15.556 -2.554 1.00 0.00 N ATOM 0 H GLN A 28 -0.235 17.287 -1.553 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.072 15.072 -1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.082 17.153 -3.506 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.347 15.712 -4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.531 15.995 -5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.618 14.594 -4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.019 14.595 -2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.109 15.938 -2.033 1.00 0.00 H new ATOM 431 N GLN A 29 0.960 14.416 -1.312 1.00 0.00 N ATOM 432 CA GLN A 29 1.821 13.300 -0.974 1.00 0.00 C ATOM 433 C GLN A 29 1.195 12.503 0.171 1.00 0.00 C ATOM 434 O GLN A 29 0.334 13.006 0.889 1.00 0.00 O ATOM 435 CB GLN A 29 3.241 13.764 -0.641 1.00 0.00 C ATOM 436 CG GLN A 29 3.324 14.723 0.536 1.00 0.00 C ATOM 437 CD GLN A 29 4.769 14.852 1.009 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.101 14.491 2.134 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.650 15.367 0.157 1.00 0.00 N ATOM 0 H GLN A 29 1.243 15.302 -0.893 1.00 0.00 H new ATOM 0 HA GLN A 29 1.911 12.647 -1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.856 12.890 -0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.669 14.247 -1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.940 15.701 0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.697 14.364 1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.349 15.660 -0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.627 15.469 0.433 1.00 0.00 H new ATOM 448 N VAL A 30 1.633 11.252 0.340 1.00 0.00 N ATOM 449 CA VAL A 30 1.021 10.299 1.251 1.00 0.00 C ATOM 450 C VAL A 30 2.117 9.530 1.984 1.00 0.00 C ATOM 451 O VAL A 30 3.197 9.317 1.437 1.00 0.00 O ATOM 452 CB VAL A 30 0.114 9.362 0.441 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.606 8.371 1.347 1.00 0.00 C ATOM 454 CG2 VAL A 30 -0.966 10.151 -0.299 1.00 0.00 C ATOM 0 H VAL A 30 2.436 10.874 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 30 0.413 10.808 1.999 1.00 0.00 H new ATOM 0 HB VAL A 30 0.762 8.838 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.240 7.721 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.128 7.767 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.221 8.914 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.595 9.464 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.578 10.694 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.496 10.859 -0.982 1.00 0.00 H new ATOM 464 N ARG A 31 1.831 9.122 3.223 1.00 0.00 N ATOM 465 CA ARG A 31 2.782 8.463 4.109 1.00 0.00 C ATOM 466 C ARG A 31 2.274 7.060 4.415 1.00 0.00 C ATOM 467 O ARG A 31 1.223 6.895 5.038 1.00 0.00 O ATOM 468 CB ARG A 31 2.894 9.286 5.395 1.00 0.00 C ATOM 469 CG ARG A 31 3.605 10.619 5.160 1.00 0.00 C ATOM 470 CD ARG A 31 5.114 10.387 5.183 1.00 0.00 C ATOM 471 NE ARG A 31 5.857 11.593 4.789 1.00 0.00 N ATOM 472 CZ ARG A 31 5.975 12.705 5.524 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.429 12.786 6.733 1.00 0.00 N ATOM 474 NH2 ARG A 31 6.646 13.749 5.045 1.00 0.00 N ATOM 0 H ARG A 31 0.910 9.245 3.643 1.00 0.00 H new ATOM 0 HA ARG A 31 3.765 8.389 3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.897 9.472 5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.437 8.713 6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.304 11.043 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.323 11.337 5.930 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.420 10.082 6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.366 9.568 4.509 1.00 0.00 H new ATOM 0 HE ARG A 31 6.321 11.581 3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.911 11.994 7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.528 13.641 7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.070 13.701 4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.737 14.597 5.604 1.00 0.00 H new ATOM 488 N ILE A 32 3.020 6.045 3.974 1.00 0.00 N ATOM 489 CA ILE A 32 2.578 4.661 4.037 1.00 0.00 C ATOM 490 C ILE A 32 3.683 3.784 4.605 1.00 0.00 C ATOM 491 O ILE A 32 4.866 4.015 4.350 1.00 0.00 O ATOM 492 CB ILE A 32 2.172 4.218 2.620 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.879 4.943 2.230 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.967 2.704 2.519 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.586 4.840 0.736 1.00 0.00 C ATOM 0 H ILE A 32 3.946 6.165 3.564 1.00 0.00 H new ATOM 0 HA ILE A 32 1.718 4.563 4.699 1.00 0.00 H new ATOM 0 HB ILE A 32 2.982 4.477 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.045 4.522 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.955 5.993 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.682 2.443 1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.894 2.193 2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.179 2.397 3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.340 5.369 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.406 5.286 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.482 3.791 0.457 1.00 0.00 H new ATOM 507 N GLY A 33 3.290 2.772 5.378 1.00 0.00 N ATOM 508 CA GLY A 33 4.216 1.842 5.993 1.00 0.00 C ATOM 509 C GLY A 33 3.975 0.441 5.456 1.00 0.00 C ATOM 510 O GLY A 33 2.901 0.141 4.932 1.00 0.00 O ATOM 0 H GLY A 33 2.311 2.579 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.242 2.148 5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.090 1.853 7.076 1.00 0.00 H new ATOM 514 N ILE A 34 4.984 -0.415 5.593 1.00 0.00 N ATOM 515 CA ILE A 34 4.949 -1.779 5.111 1.00 0.00 C ATOM 516 C ILE A 34 5.496 -2.663 6.214 1.00 0.00 C ATOM 517 O ILE A 34 6.410 -2.267 6.942 1.00 0.00 O ATOM 518 CB ILE A 34 5.786 -1.897 3.827 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.278 -0.902 2.779 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.714 -3.323 3.271 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.198 -0.830 1.561 1.00 0.00 C ATOM 0 H ILE A 34 5.861 -0.169 6.051 1.00 0.00 H new ATOM 0 HA ILE A 34 3.933 -2.088 4.865 1.00 0.00 H new ATOM 0 HB ILE A 34 6.825 -1.667 4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.277 -1.192 2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.195 0.087 3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.312 -3.390 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.101 -4.022 4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.678 -3.573 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.798 -0.112 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.193 -0.514 1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.260 -1.813 1.093 1.00 0.00 H new ATOM 533 N ASN A 35 4.937 -3.860 6.340 1.00 0.00 N ATOM 534 CA ASN A 35 5.300 -4.774 7.403 1.00 0.00 C ATOM 535 C ASN A 35 5.427 -6.175 6.827 1.00 0.00 C ATOM 536 O ASN A 35 4.444 -6.902 6.704 1.00 0.00 O ATOM 537 CB ASN A 35 4.257 -4.698 8.516 1.00 0.00 C ATOM 538 CG ASN A 35 4.635 -5.567 9.707 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.788 -5.959 9.864 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.663 -5.870 10.561 1.00 0.00 N ATOM 0 H ASN A 35 4.222 -4.219 5.708 1.00 0.00 H new ATOM 0 HA ASN A 35 6.262 -4.502 7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.148 -3.663 8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.289 -5.014 8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.864 -6.446 11.379 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.716 -5.527 10.399 1.00 0.00 H new ATOM 547 N ALA A 36 6.658 -6.536 6.474 1.00 0.00 N ATOM 548 CA ALA A 36 6.978 -7.824 5.886 1.00 0.00 C ATOM 549 C ALA A 36 8.284 -8.362 6.461 1.00 0.00 C ATOM 550 O ALA A 36 9.099 -7.592 6.971 1.00 0.00 O ATOM 551 CB ALA A 36 7.115 -7.651 4.373 1.00 0.00 C ATOM 0 H ALA A 36 7.470 -5.930 6.592 1.00 0.00 H new ATOM 0 HA ALA A 36 6.183 -8.534 6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.356 -8.611 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.176 -7.280 3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.911 -6.938 4.159 1.00 0.00 H new ATOM 557 N PRO A 37 8.489 -9.681 6.380 1.00 0.00 N ATOM 558 CA PRO A 37 9.738 -10.312 6.762 1.00 0.00 C ATOM 559 C PRO A 37 10.856 -9.900 5.812 1.00 0.00 C ATOM 560 O PRO A 37 10.603 -9.511 4.671 1.00 0.00 O ATOM 561 CB PRO A 37 9.471 -11.811 6.657 1.00 0.00 C ATOM 562 CG PRO A 37 8.327 -11.930 5.656 1.00 0.00 C ATOM 563 CD PRO A 37 7.524 -10.662 5.912 1.00 0.00 C ATOM 0 HA PRO A 37 10.055 -10.022 7.764 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.355 -12.348 6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.197 -12.233 7.624 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.691 -11.979 4.630 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.732 -12.827 5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.027 -10.322 5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.746 -10.833 6.656 1.00 0.00 H new ATOM 571 N LYS A 38 12.108 -9.986 6.269 1.00 0.00 N ATOM 572 CA LYS A 38 13.265 -9.742 5.414 1.00 0.00 C ATOM 573 C LYS A 38 13.383 -10.835 4.352 1.00 0.00 C ATOM 574 O LYS A 38 14.256 -10.789 3.490 1.00 0.00 O ATOM 575 CB LYS A 38 14.532 -9.659 6.276 1.00 0.00 C ATOM 576 CG LYS A 38 14.383 -8.611 7.388 1.00 0.00 C ATOM 577 CD LYS A 38 14.064 -7.216 6.847 1.00 0.00 C ATOM 578 CE LYS A 38 15.236 -6.624 6.058 1.00 0.00 C ATOM 579 NZ LYS A 38 16.385 -6.335 6.935 1.00 0.00 N ATOM 0 H LYS A 38 12.343 -10.224 7.232 1.00 0.00 H new ATOM 0 HA LYS A 38 13.139 -8.792 4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.738 -10.634 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.386 -9.406 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.591 -8.921 8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.305 -8.569 7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.185 -7.269 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.814 -6.554 7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.539 -7.321 5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.916 -5.708 5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.078 -5.755 6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.058 -5.818 7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.831 -7.228 7.228 1.00 0.00 H new ATOM 593 N ASP A 39 12.481 -11.815 4.433 1.00 0.00 N ATOM 594 CA ASP A 39 12.347 -12.902 3.475 1.00 0.00 C ATOM 595 C ASP A 39 11.779 -12.418 2.138 1.00 0.00 C ATOM 596 O ASP A 39 11.724 -13.187 1.180 1.00 0.00 O ATOM 597 CB ASP A 39 11.429 -13.970 4.070 1.00 0.00 C ATOM 598 CG ASP A 39 12.152 -14.780 5.142 1.00 0.00 C ATOM 599 OD1 ASP A 39 13.081 -15.530 4.765 1.00 0.00 O ATOM 600 OD2 ASP A 39 11.772 -14.646 6.327 1.00 0.00 O ATOM 0 H ASP A 39 11.804 -11.871 5.194 1.00 0.00 H new ATOM 0 HA ASP A 39 13.337 -13.313 3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.547 -13.497 4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.080 -14.635 3.280 1.00 0.00 H new ATOM 605 N VAL A 40 11.355 -11.152 2.072 1.00 0.00 N ATOM 606 CA VAL A 40 10.797 -10.562 0.860 1.00 0.00 C ATOM 607 C VAL A 40 11.325 -9.141 0.699 1.00 0.00 C ATOM 608 O VAL A 40 11.801 -8.533 1.657 1.00 0.00 O ATOM 609 CB VAL A 40 9.264 -10.562 0.898 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.708 -11.963 1.165 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.745 -9.627 1.984 1.00 0.00 C ATOM 0 H VAL A 40 11.391 -10.509 2.863 1.00 0.00 H new ATOM 0 HA VAL A 40 11.106 -11.164 0.005 1.00 0.00 H new ATOM 0 HB VAL A 40 8.928 -10.219 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.619 -11.924 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.033 -12.640 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.076 -12.324 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.655 -9.646 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.119 -9.954 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.090 -8.612 1.786 1.00 0.00 H new ATOM 621 N ALA A 41 11.236 -8.612 -0.520 1.00 0.00 N ATOM 622 CA ALA A 41 11.743 -7.287 -0.822 1.00 0.00 C ATOM 623 C ALA A 41 10.601 -6.280 -0.917 1.00 0.00 C ATOM 624 O ALA A 41 9.523 -6.617 -1.400 1.00 0.00 O ATOM 625 CB ALA A 41 12.492 -7.369 -2.153 1.00 0.00 C ATOM 0 H ALA A 41 10.813 -9.090 -1.316 1.00 0.00 H new ATOM 0 HA ALA A 41 12.410 -6.951 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.887 -6.386 -2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.315 -8.079 -2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.809 -7.701 -2.935 1.00 0.00 H new ATOM 631 N VAL A 42 10.845 -5.048 -0.460 1.00 0.00 N ATOM 632 CA VAL A 42 9.879 -3.956 -0.583 1.00 0.00 C ATOM 633 C VAL A 42 10.626 -2.661 -0.866 1.00 0.00 C ATOM 634 O VAL A 42 11.429 -2.209 -0.052 1.00 0.00 O ATOM 635 CB VAL A 42 8.999 -3.838 0.675 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.177 -5.108 0.874 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.798 -3.613 1.961 1.00 0.00 C ATOM 0 H VAL A 42 11.714 -4.782 0.003 1.00 0.00 H new ATOM 0 HA VAL A 42 9.206 -4.167 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 42 8.366 -2.968 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.561 -5.007 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.535 -5.266 0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.846 -5.960 0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.114 -3.539 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.479 -4.450 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.371 -2.690 1.877 1.00 0.00 H new ATOM 647 N HIS A 43 10.376 -2.044 -2.025 1.00 0.00 N ATOM 648 CA HIS A 43 11.073 -0.811 -2.382 1.00 0.00 C ATOM 649 C HIS A 43 10.277 0.003 -3.395 1.00 0.00 C ATOM 650 O HIS A 43 9.387 -0.517 -4.067 1.00 0.00 O ATOM 651 CB HIS A 43 12.444 -1.122 -3.004 1.00 0.00 C ATOM 652 CG HIS A 43 13.192 -2.281 -2.394 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.260 -2.166 -1.503 1.00 0.00 N ATOM 654 CD2 HIS A 43 12.939 -3.605 -2.622 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.619 -3.422 -1.204 1.00 0.00 C ATOM 656 NE2 HIS A 43 13.845 -4.302 -1.858 1.00 0.00 N ATOM 0 H HIS A 43 9.707 -2.374 -2.720 1.00 0.00 H new ATOM 0 HA HIS A 43 11.193 -0.239 -1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.303 -1.323 -4.066 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.067 -0.231 -2.928 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.680 -1.305 -1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.181 -4.019 -3.271 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.420 -3.689 -0.530 1.00 0.00 H new ATOM 664 N ARG A 44 10.617 1.291 -3.497 1.00 0.00 N ATOM 665 CA ARG A 44 10.069 2.167 -4.517 1.00 0.00 C ATOM 666 C ARG A 44 10.670 1.780 -5.861 1.00 0.00 C ATOM 667 O ARG A 44 11.747 1.187 -5.911 1.00 0.00 O ATOM 668 CB ARG A 44 10.379 3.619 -4.119 1.00 0.00 C ATOM 669 CG ARG A 44 9.787 4.640 -5.090 1.00 0.00 C ATOM 670 CD ARG A 44 9.912 6.040 -4.483 1.00 0.00 C ATOM 671 NE ARG A 44 9.436 7.066 -5.420 1.00 0.00 N ATOM 672 CZ ARG A 44 10.229 7.785 -6.220 1.00 0.00 C ATOM 673 NH1 ARG A 44 11.549 7.622 -6.197 1.00 0.00 N ATOM 674 NH2 ARG A 44 9.693 8.674 -7.051 1.00 0.00 N ATOM 0 H ARG A 44 11.280 1.748 -2.871 1.00 0.00 H new ATOM 0 HA ARG A 44 8.987 2.070 -4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.989 3.808 -3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.459 3.755 -4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.309 4.597 -6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.740 4.408 -5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.337 6.092 -3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.952 6.235 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 44 8.432 7.242 -5.463 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.968 6.941 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.142 8.178 -6.813 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.682 8.804 -7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.293 9.226 -7.664 1.00 0.00 H new ATOM 688 N GLU A 45 9.985 2.112 -6.957 1.00 0.00 N ATOM 689 CA GLU A 45 10.437 1.745 -8.297 1.00 0.00 C ATOM 690 C GLU A 45 11.860 2.225 -8.566 1.00 0.00 C ATOM 691 O GLU A 45 12.580 1.624 -9.359 1.00 0.00 O ATOM 692 CB GLU A 45 9.506 2.361 -9.341 1.00 0.00 C ATOM 693 CG GLU A 45 8.061 1.962 -9.076 1.00 0.00 C ATOM 694 CD GLU A 45 7.162 2.384 -10.236 1.00 0.00 C ATOM 695 OE1 GLU A 45 6.900 3.605 -10.346 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.746 1.488 -11.001 1.00 0.00 O ATOM 0 H GLU A 45 9.111 2.637 -6.940 1.00 0.00 H new ATOM 0 HA GLU A 45 10.421 0.657 -8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.598 3.447 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.802 2.034 -10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.997 0.883 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.714 2.426 -8.153 1.00 0.00 H new ATOM 703 N GLU A 46 12.265 3.310 -7.904 1.00 0.00 N ATOM 704 CA GLU A 46 13.585 3.889 -8.097 1.00 0.00 C ATOM 705 C GLU A 46 14.682 3.035 -7.458 1.00 0.00 C ATOM 706 O GLU A 46 15.815 3.035 -7.936 1.00 0.00 O ATOM 707 CB GLU A 46 13.586 5.309 -7.522 1.00 0.00 C ATOM 708 CG GLU A 46 14.858 6.065 -7.908 1.00 0.00 C ATOM 709 CD GLU A 46 14.816 7.511 -7.414 1.00 0.00 C ATOM 710 OE1 GLU A 46 13.821 8.208 -7.721 1.00 0.00 O ATOM 711 OE2 GLU A 46 15.780 7.915 -6.726 1.00 0.00 O ATOM 0 H GLU A 46 11.688 3.805 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 46 13.804 3.923 -9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.714 5.851 -7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.503 5.264 -6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.726 5.559 -7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.977 6.052 -8.991 1.00 0.00 H new ATOM 718 N ILE A 47 14.360 2.303 -6.385 1.00 0.00 N ATOM 719 CA ILE A 47 15.317 1.415 -5.730 1.00 0.00 C ATOM 720 C ILE A 47 15.224 0.039 -6.381 1.00 0.00 C ATOM 721 O ILE A 47 16.225 -0.668 -6.500 1.00 0.00 O ATOM 722 CB ILE A 47 14.988 1.292 -4.234 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.466 2.495 -3.414 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.672 0.064 -3.620 1.00 0.00 C ATOM 725 CD1 ILE A 47 14.843 3.808 -3.873 1.00 0.00 C ATOM 0 H ILE A 47 13.436 2.311 -5.952 1.00 0.00 H new ATOM 0 HA ILE A 47 16.323 1.820 -5.836 1.00 0.00 H new ATOM 0 HB ILE A 47 13.901 1.220 -4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.225 2.332 -2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.551 2.569 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.423 0.000 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.328 -0.837 -4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.752 0.154 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.219 4.624 -3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.105 3.991 -4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.759 3.750 -3.777 1.00 0.00 H new ATOM 737 N TYR A 48 14.017 -0.332 -6.801 1.00 0.00 N ATOM 738 CA TYR A 48 13.732 -1.635 -7.373 1.00 0.00 C ATOM 739 C TYR A 48 14.584 -1.923 -8.607 1.00 0.00 C ATOM 740 O TYR A 48 14.874 -3.077 -8.908 1.00 0.00 O ATOM 741 CB TYR A 48 12.252 -1.667 -7.734 1.00 0.00 C ATOM 742 CG TYR A 48 11.820 -2.955 -8.384 1.00 0.00 C ATOM 743 CD1 TYR A 48 11.453 -4.063 -7.607 1.00 0.00 C ATOM 744 CD2 TYR A 48 11.794 -3.032 -9.784 1.00 0.00 C ATOM 745 CE1 TYR A 48 11.059 -5.258 -8.226 1.00 0.00 C ATOM 746 CE2 TYR A 48 11.408 -4.223 -10.410 1.00 0.00 C ATOM 747 CZ TYR A 48 11.030 -5.341 -9.638 1.00 0.00 C ATOM 748 OH TYR A 48 10.648 -6.496 -10.251 1.00 0.00 O ATOM 0 H TYR A 48 13.200 0.277 -6.750 1.00 0.00 H new ATOM 0 HA TYR A 48 13.975 -2.407 -6.643 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.662 -1.509 -6.831 1.00 0.00 H new ATOM 0 HB3 TYR A 48 12.032 -0.838 -8.407 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.474 -3.996 -6.529 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.071 -2.174 -10.378 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.779 -6.112 -7.627 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.400 -4.286 -11.488 1.00 0.00 H new ATOM 0 HH TYR A 48 10.685 -6.378 -11.223 1.00 0.00 H new ATOM 1605 N MET C 1 8.818 -2.361 10.547 1.00 0.00 N ATOM 1606 CA MET C 1 8.112 -1.540 9.545 1.00 0.00 C ATOM 1607 C MET C 1 9.105 -0.915 8.571 1.00 0.00 C ATOM 1608 O MET C 1 10.240 -0.633 8.944 1.00 0.00 O ATOM 1609 CB MET C 1 7.325 -0.422 10.234 1.00 0.00 C ATOM 1610 CG MET C 1 6.320 0.259 9.308 1.00 0.00 C ATOM 1611 SD MET C 1 4.760 -0.624 9.133 1.00 0.00 S ATOM 1612 CE MET C 1 4.057 -0.064 10.699 1.00 0.00 C ATOM 0 H1 MET C 1 8.643 -3.368 10.356 1.00 0.00 H new ATOM 0 H2 MET C 1 9.839 -2.171 10.494 1.00 0.00 H new ATOM 0 H3 MET C 1 8.471 -2.123 11.498 1.00 0.00 H new ATOM 0 HA MET C 1 7.427 -2.189 8.999 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.797 -0.834 11.094 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.022 0.324 10.615 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.117 1.261 9.685 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.771 0.375 8.323 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.663 -0.920 11.248 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.831 0.422 11.292 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.251 0.644 10.504 1.00 0.00 H new ATOM 1624 N LEU C 2 8.675 -0.700 7.328 1.00 0.00 N ATOM 1625 CA LEU C 2 9.453 0.000 6.323 1.00 0.00 C ATOM 1626 C LEU C 2 8.526 1.036 5.690 1.00 0.00 C ATOM 1627 O LEU C 2 7.544 0.688 5.039 1.00 0.00 O ATOM 1628 CB LEU C 2 10.021 -1.035 5.339 1.00 0.00 C ATOM 1629 CG LEU C 2 10.900 -0.463 4.217 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.053 0.016 3.046 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.788 0.682 4.702 1.00 0.00 C ATOM 0 H LEU C 2 7.764 -1.014 6.993 1.00 0.00 H new ATOM 0 HA LEU C 2 10.315 0.532 6.726 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.606 -1.763 5.901 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.190 -1.576 4.887 1.00 0.00 H new ATOM 0 HG LEU C 2 11.545 -1.278 3.888 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.702 0.416 2.267 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.479 -0.820 2.646 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.371 0.796 3.385 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.390 1.052 3.872 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.164 1.489 5.086 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.444 0.323 5.494 1.00 0.00 H new ATOM 1643 N ILE C 3 8.846 2.320 5.888 1.00 0.00 N ATOM 1644 CA ILE C 3 7.984 3.419 5.486 1.00 0.00 C ATOM 1645 C ILE C 3 8.509 4.053 4.210 1.00 0.00 C ATOM 1646 O ILE C 3 9.713 4.081 3.963 1.00 0.00 O ATOM 1647 CB ILE C 3 7.889 4.465 6.609 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.143 3.923 7.830 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.119 5.707 6.157 1.00 0.00 C ATOM 1650 CD1 ILE C 3 8.032 3.080 8.732 1.00 0.00 C ATOM 0 H ILE C 3 9.714 2.619 6.333 1.00 0.00 H new ATOM 0 HA ILE C 3 6.984 3.029 5.296 1.00 0.00 H new ATOM 0 HB ILE C 3 8.920 4.712 6.862 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.737 4.757 8.403 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.296 3.323 7.497 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.072 6.424 6.976 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.627 6.161 5.306 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.108 5.422 5.866 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.452 2.721 9.582 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.417 2.229 8.171 1.00 0.00 H new ATOM 0 HD13 ILE C 3 8.865 3.685 9.090 1.00 0.00 H new ATOM 1662 N LEU C 4 7.568 4.565 3.417 1.00 0.00 N ATOM 1663 CA LEU C 4 7.840 5.246 2.168 1.00 0.00 C ATOM 1664 C LEU C 4 6.859 6.402 2.035 1.00 0.00 C ATOM 1665 O LEU C 4 5.781 6.384 2.632 1.00 0.00 O ATOM 1666 CB LEU C 4 7.684 4.269 0.997 1.00 0.00 C ATOM 1667 CG LEU C 4 8.740 3.160 1.005 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.452 2.184 -0.125 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.141 3.722 0.794 1.00 0.00 C ATOM 0 H LEU C 4 6.574 4.512 3.638 1.00 0.00 H new ATOM 0 HA LEU C 4 8.861 5.626 2.156 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.692 3.820 1.034 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.749 4.820 0.059 1.00 0.00 H new ATOM 0 HG LEU C 4 8.696 2.666 1.976 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.202 1.393 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.463 1.747 0.015 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.484 2.711 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.865 2.908 0.805 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.186 4.235 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.375 4.426 1.592 1.00 0.00 H new ATOM 1681 N THR C 5 7.229 7.413 1.250 1.00 0.00 N ATOM 1682 CA THR C 5 6.382 8.571 1.016 1.00 0.00 C ATOM 1683 C THR C 5 6.243 8.741 -0.484 1.00 0.00 C ATOM 1684 O THR C 5 7.226 8.643 -1.216 1.00 0.00 O ATOM 1685 CB THR C 5 6.990 9.816 1.662 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.237 9.585 3.026 1.00 0.00 O ATOM 1687 CG2 THR C 5 6.048 11.012 1.563 1.00 0.00 C ATOM 0 H THR C 5 8.124 7.448 0.761 1.00 0.00 H new ATOM 0 HA THR C 5 5.399 8.427 1.465 1.00 0.00 H new ATOM 0 HB THR C 5 7.916 10.031 1.129 1.00 0.00 H new ATOM 0 HG1 THR C 5 7.897 10.231 3.353 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.511 11.880 2.032 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.846 11.231 0.514 1.00 0.00 H new ATOM 0 HG23 THR C 5 5.112 10.781 2.072 1.00 0.00 H new ATOM 1695 N ARG C 6 5.018 8.993 -0.941 1.00 0.00 N ATOM 1696 CA ARG C 6 4.713 9.067 -2.359 1.00 0.00 C ATOM 1697 C ARG C 6 3.714 10.174 -2.611 1.00 0.00 C ATOM 1698 O ARG C 6 3.325 10.873 -1.681 1.00 0.00 O ATOM 1699 CB ARG C 6 4.154 7.732 -2.851 1.00 0.00 C ATOM 1700 CG ARG C 6 5.012 6.576 -2.359 1.00 0.00 C ATOM 1701 CD ARG C 6 4.587 5.302 -3.067 1.00 0.00 C ATOM 1702 NE ARG C 6 3.135 5.081 -3.034 1.00 0.00 N ATOM 1703 CZ ARG C 6 2.518 4.236 -2.202 1.00 0.00 C ATOM 1704 NH1 ARG C 6 3.187 3.599 -1.245 1.00 0.00 N ATOM 1705 NH2 ARG C 6 1.214 4.016 -2.323 1.00 0.00 N ATOM 0 H ARG C 6 4.213 9.151 -0.335 1.00 0.00 H new ATOM 0 HA ARG C 6 5.630 9.283 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.130 7.608 -2.497 1.00 0.00 H new ATOM 0 HB3 ARG C 6 4.118 7.727 -3.940 1.00 0.00 H new ATOM 0 HG2 ARG C 6 6.065 6.780 -2.554 1.00 0.00 H new ATOM 0 HG3 ARG C 6 4.904 6.460 -1.281 1.00 0.00 H new ATOM 0 HD2 ARG C 6 4.919 5.342 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.088 4.452 -2.605 1.00 0.00 H new ATOM 0 HE ARG C 6 2.559 5.608 -3.690 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.190 3.751 -1.136 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.697 2.958 -0.620 1.00 0.00 H new ATOM 0 HH21 ARG C 6 0.682 4.492 -3.051 1.00 0.00 H new ATOM 0 HH22 ARG C 6 0.744 3.371 -1.687 1.00 0.00 H new ATOM 1719 N LYS C 7 3.295 10.339 -3.861 1.00 0.00 N ATOM 1720 CA LYS C 7 2.289 11.324 -4.226 1.00 0.00 C ATOM 1721 C LYS C 7 1.332 10.693 -5.220 1.00 0.00 C ATOM 1722 O LYS C 7 1.709 9.758 -5.927 1.00 0.00 O ATOM 1723 CB LYS C 7 2.994 12.562 -4.779 1.00 0.00 C ATOM 1724 CG LYS C 7 2.100 13.795 -4.874 1.00 0.00 C ATOM 1725 CD LYS C 7 2.917 14.924 -5.500 1.00 0.00 C ATOM 1726 CE LYS C 7 2.119 16.222 -5.495 1.00 0.00 C ATOM 1727 NZ LYS C 7 2.914 17.323 -6.070 1.00 0.00 N ATOM 0 H LYS C 7 3.645 9.793 -4.648 1.00 0.00 H new ATOM 0 HA LYS C 7 1.702 11.642 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.849 12.794 -4.145 1.00 0.00 H new ATOM 0 HB3 LYS C 7 3.385 12.332 -5.770 1.00 0.00 H new ATOM 0 HG2 LYS C 7 1.219 13.581 -5.479 1.00 0.00 H new ATOM 0 HG3 LYS C 7 1.744 14.085 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS C 7 3.847 15.059 -4.947 1.00 0.00 H new ATOM 0 HD3 LYS C 7 3.190 14.661 -6.522 1.00 0.00 H new ATOM 0 HE2 LYS C 7 1.200 16.092 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS C 7 1.827 16.472 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 2.354 18.199 -6.058 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 3.779 17.457 -5.508 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 3.171 17.090 -7.050 1.00 0.00 H new ATOM 1741 N VAL C 8 0.094 11.194 -5.278 1.00 0.00 N ATOM 1742 CA VAL C 8 -0.930 10.542 -6.083 1.00 0.00 C ATOM 1743 C VAL C 8 -0.469 10.292 -7.516 1.00 0.00 C ATOM 1744 O VAL C 8 -0.196 11.222 -8.273 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.266 11.279 -5.997 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.672 11.332 -4.528 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.261 12.706 -6.543 1.00 0.00 C ATOM 0 H VAL C 8 -0.214 12.032 -4.786 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.099 9.553 -5.657 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.964 10.724 -6.624 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.624 11.853 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.773 10.318 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -1.909 11.863 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.255 13.140 -6.435 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.541 13.306 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.984 12.691 -7.597 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.389 9.008 -7.871 1.00 0.00 N ATOM 1758 CA GLY C 9 0.018 8.559 -9.195 1.00 0.00 C ATOM 1759 C GLY C 9 1.225 7.619 -9.171 1.00 0.00 C ATOM 1760 O GLY C 9 1.440 6.888 -10.136 1.00 0.00 O ATOM 0 H GLY C 9 -0.609 8.243 -7.234 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -0.820 8.051 -9.672 1.00 0.00 H new ATOM 0 HA3 GLY C 9 0.255 9.428 -9.809 1.00 0.00 H new ATOM 1764 N GLU C 10 2.014 7.622 -8.090 1.00 0.00 N ATOM 1765 CA GLU C 10 3.203 6.777 -7.988 1.00 0.00 C ATOM 1766 C GLU C 10 2.855 5.312 -7.710 1.00 0.00 C ATOM 1767 O GLU C 10 1.701 4.968 -7.460 1.00 0.00 O ATOM 1768 CB GLU C 10 4.124 7.295 -6.880 1.00 0.00 C ATOM 1769 CG GLU C 10 4.735 8.637 -7.269 1.00 0.00 C ATOM 1770 CD GLU C 10 5.863 9.020 -6.314 1.00 0.00 C ATOM 1771 OE1 GLU C 10 6.974 8.470 -6.486 1.00 0.00 O ATOM 1772 OE2 GLU C 10 5.608 9.855 -5.421 1.00 0.00 O ATOM 0 H GLU C 10 1.846 8.205 -7.270 1.00 0.00 H new ATOM 0 HA GLU C 10 3.709 6.824 -8.952 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.561 7.401 -5.953 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.916 6.571 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU C 10 5.118 8.585 -8.288 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.965 9.409 -7.257 1.00 0.00 H new ATOM 1779 N SER C 11 3.883 4.453 -7.753 1.00 0.00 N ATOM 1780 CA SER C 11 3.757 3.021 -7.520 1.00 0.00 C ATOM 1781 C SER C 11 4.941 2.502 -6.712 1.00 0.00 C ATOM 1782 O SER C 11 5.948 3.192 -6.576 1.00 0.00 O ATOM 1783 CB SER C 11 3.676 2.282 -8.860 1.00 0.00 C ATOM 1784 OG SER C 11 2.526 2.676 -9.576 1.00 0.00 O ATOM 0 H SER C 11 4.839 4.746 -7.955 1.00 0.00 H new ATOM 0 HA SER C 11 2.844 2.840 -6.952 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.568 2.490 -9.451 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.652 1.206 -8.687 1.00 0.00 H new ATOM 0 HG SER C 11 1.757 2.147 -9.276 1.00 0.00 H new ATOM 1790 N ILE C 12 4.811 1.282 -6.181 1.00 0.00 N ATOM 1791 CA ILE C 12 5.781 0.624 -5.304 1.00 0.00 C ATOM 1792 C ILE C 12 5.784 -0.872 -5.619 1.00 0.00 C ATOM 1793 O ILE C 12 4.844 -1.377 -6.225 1.00 0.00 O ATOM 1794 CB ILE C 12 5.387 0.880 -3.838 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.441 2.372 -3.500 1.00 0.00 C ATOM 1796 CG2 ILE C 12 6.249 0.114 -2.832 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.841 2.976 -3.637 1.00 0.00 C ATOM 0 H ILE C 12 3.991 0.702 -6.359 1.00 0.00 H new ATOM 0 HA ILE C 12 6.783 1.021 -5.465 1.00 0.00 H new ATOM 0 HB ILE C 12 4.365 0.512 -3.749 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.755 2.910 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE C 12 5.088 2.519 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.916 0.342 -1.820 1.00 0.00 H new ATOM 0 HG22 ILE C 12 6.155 -0.957 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE C 12 7.292 0.411 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.807 4.035 -3.383 1.00 0.00 H new ATOM 0 HD12 ILE C 12 7.526 2.463 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE C 12 7.188 2.861 -4.664 1.00 0.00 H new ATOM 1809 N ASN C 13 6.834 -1.589 -5.209 1.00 0.00 N ATOM 1810 CA ASN C 13 6.986 -2.999 -5.527 1.00 0.00 C ATOM 1811 C ASN C 13 7.158 -3.839 -4.264 1.00 0.00 C ATOM 1812 O ASN C 13 7.713 -3.374 -3.267 1.00 0.00 O ATOM 1813 CB ASN C 13 8.207 -3.164 -6.438 1.00 0.00 C ATOM 1814 CG ASN C 13 8.019 -2.457 -7.770 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.643 -1.432 -8.029 1.00 0.00 O ATOM 1816 ND2 ASN C 13 7.154 -2.992 -8.628 1.00 0.00 N ATOM 0 H ASN C 13 7.596 -1.204 -4.650 1.00 0.00 H new ATOM 0 HA ASN C 13 6.086 -3.348 -6.032 1.00 0.00 H new ATOM 0 HB2 ASN C 13 9.090 -2.767 -5.937 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.389 -4.224 -6.612 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.993 -2.549 -9.533 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.652 -3.845 -8.381 1.00 0.00 H new ATOM 1823 N ILE C 14 6.674 -5.084 -4.325 1.00 0.00 N ATOM 1824 CA ILE C 14 6.801 -6.061 -3.251 1.00 0.00 C ATOM 1825 C ILE C 14 7.093 -7.426 -3.874 1.00 0.00 C ATOM 1826 O ILE C 14 6.409 -7.844 -4.808 1.00 0.00 O ATOM 1827 CB ILE C 14 5.511 -6.127 -2.420 1.00 0.00 C ATOM 1828 CG1 ILE C 14 5.187 -4.756 -1.810 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.656 -7.204 -1.339 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.896 -4.775 -0.987 1.00 0.00 C ATOM 0 H ILE C 14 6.175 -5.442 -5.139 1.00 0.00 H new ATOM 0 HA ILE C 14 7.613 -5.768 -2.585 1.00 0.00 H new ATOM 0 HB ILE C 14 4.677 -6.396 -3.068 1.00 0.00 H new ATOM 0 HG12 ILE C 14 6.015 -4.439 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE C 14 5.096 -4.019 -2.608 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.741 -7.252 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.835 -8.171 -1.810 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.495 -6.956 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.711 -3.782 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE C 14 3.062 -5.065 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.995 -5.491 -0.172 1.00 0.00 H new ATOM 1842 N GLY C 15 8.107 -8.118 -3.353 1.00 0.00 N ATOM 1843 CA GLY C 15 8.518 -9.406 -3.885 1.00 0.00 C ATOM 1844 C GLY C 15 8.769 -9.311 -5.385 1.00 0.00 C ATOM 1845 O GLY C 15 9.280 -8.303 -5.869 1.00 0.00 O ATOM 0 H GLY C 15 8.659 -7.800 -2.557 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.424 -9.742 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.747 -10.150 -3.686 1.00 0.00 H new ATOM 1849 N ASP C 16 8.409 -10.366 -6.118 1.00 0.00 N ATOM 1850 CA ASP C 16 8.526 -10.407 -7.570 1.00 0.00 C ATOM 1851 C ASP C 16 7.172 -10.738 -8.208 1.00 0.00 C ATOM 1852 O ASP C 16 7.114 -11.091 -9.384 1.00 0.00 O ATOM 1853 CB ASP C 16 9.633 -11.383 -7.977 1.00 0.00 C ATOM 1854 CG ASP C 16 9.323 -12.831 -7.590 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.316 -13.114 -6.370 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.101 -13.641 -8.519 1.00 0.00 O ATOM 0 H ASP C 16 8.026 -11.221 -5.714 1.00 0.00 H new ATOM 0 HA ASP C 16 8.812 -9.424 -7.944 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.783 -11.325 -9.055 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.569 -11.079 -7.508 1.00 0.00 H new ATOM 1861 N ASP C 17 6.081 -10.617 -7.438 1.00 0.00 N ATOM 1862 CA ASP C 17 4.740 -10.940 -7.905 1.00 0.00 C ATOM 1863 C ASP C 17 3.716 -9.876 -7.509 1.00 0.00 C ATOM 1864 O ASP C 17 2.539 -10.035 -7.826 1.00 0.00 O ATOM 1865 CB ASP C 17 4.299 -12.296 -7.351 1.00 0.00 C ATOM 1866 CG ASP C 17 5.205 -13.438 -7.810 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.155 -13.764 -9.016 1.00 0.00 O ATOM 1868 OD2 ASP C 17 5.933 -13.976 -6.946 1.00 0.00 O ATOM 0 H ASP C 17 6.112 -10.291 -6.472 1.00 0.00 H new ATOM 0 HA ASP C 17 4.783 -10.976 -8.994 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.294 -12.256 -6.262 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.276 -12.499 -7.667 1.00 0.00 H new ATOM 1873 N ILE C 18 4.127 -8.796 -6.832 1.00 0.00 N ATOM 1874 CA ILE C 18 3.173 -7.790 -6.387 1.00 0.00 C ATOM 1875 C ILE C 18 3.678 -6.378 -6.672 1.00 0.00 C ATOM 1876 O ILE C 18 4.880 -6.108 -6.639 1.00 0.00 O ATOM 1877 CB ILE C 18 2.879 -7.952 -4.886 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.403 -9.362 -4.513 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.798 -6.955 -4.453 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.586 -10.224 -4.063 1.00 0.00 C ATOM 0 H ILE C 18 5.098 -8.604 -6.587 1.00 0.00 H new ATOM 0 HA ILE C 18 2.251 -7.939 -6.948 1.00 0.00 H new ATOM 0 HB ILE C 18 3.821 -7.765 -4.371 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.663 -9.303 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE C 18 1.912 -9.825 -5.369 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.596 -7.077 -3.389 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.143 -5.939 -4.643 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.885 -7.140 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.231 -11.221 -3.802 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.312 -10.298 -4.873 1.00 0.00 H new ATOM 0 HD13 ILE C 18 4.059 -9.768 -3.193 1.00 0.00 H new ATOM 1892 N THR C 19 2.732 -5.479 -6.949 1.00 0.00 N ATOM 1893 CA THR C 19 2.978 -4.063 -7.165 1.00 0.00 C ATOM 1894 C THR C 19 1.836 -3.287 -6.509 1.00 0.00 C ATOM 1895 O THR C 19 0.732 -3.812 -6.357 1.00 0.00 O ATOM 1896 CB THR C 19 3.073 -3.784 -8.670 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.165 -4.499 -9.210 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.279 -2.302 -8.988 1.00 0.00 C ATOM 0 H THR C 19 1.747 -5.729 -7.030 1.00 0.00 H new ATOM 0 HA THR C 19 3.922 -3.749 -6.719 1.00 0.00 H new ATOM 0 HB THR C 19 2.126 -4.098 -9.108 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.227 -4.324 -10.172 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.339 -2.166 -10.068 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.441 -1.726 -8.596 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.204 -1.956 -8.527 1.00 0.00 H new ATOM 1906 N ILE C 20 2.101 -2.039 -6.123 1.00 0.00 N ATOM 1907 CA ILE C 20 1.154 -1.187 -5.409 1.00 0.00 C ATOM 1908 C ILE C 20 1.135 0.181 -6.078 1.00 0.00 C ATOM 1909 O ILE C 20 2.150 0.598 -6.635 1.00 0.00 O ATOM 1910 CB ILE C 20 1.588 -1.060 -3.941 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.725 -2.427 -3.250 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.610 -0.180 -3.159 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.387 -3.134 -3.067 1.00 0.00 C ATOM 0 H ILE C 20 2.997 -1.585 -6.302 1.00 0.00 H new ATOM 0 HA ILE C 20 0.154 -1.620 -5.439 1.00 0.00 H new ATOM 0 HB ILE C 20 2.572 -0.591 -3.946 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.388 -3.061 -3.838 1.00 0.00 H new ATOM 0 HG13 ILE C 20 2.195 -2.291 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.938 -0.104 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.580 0.815 -3.604 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.385 -0.623 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.547 -4.093 -2.574 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.270 -2.516 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.074 -3.299 -4.041 1.00 0.00 H new ATOM 1925 N THR C 21 0.000 0.878 -6.026 1.00 0.00 N ATOM 1926 CA THR C 21 -0.144 2.187 -6.651 1.00 0.00 C ATOM 1927 C THR C 21 -1.062 3.076 -5.814 1.00 0.00 C ATOM 1928 O THR C 21 -2.038 2.601 -5.243 1.00 0.00 O ATOM 1929 CB THR C 21 -0.736 2.007 -8.056 1.00 0.00 C ATOM 1930 OG1 THR C 21 0.047 1.104 -8.804 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.794 3.330 -8.821 1.00 0.00 C ATOM 0 H THR C 21 -0.841 0.550 -5.551 1.00 0.00 H new ATOM 0 HA THR C 21 0.834 2.664 -6.719 1.00 0.00 H new ATOM 0 HB THR C 21 -1.748 1.624 -7.926 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.341 0.997 -9.697 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.219 3.160 -9.810 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.417 4.039 -8.275 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.213 3.736 -8.923 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.747 4.373 -5.736 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.589 5.351 -5.055 1.00 0.00 C ATOM 1941 C ILE C 22 -2.425 6.054 -6.122 1.00 0.00 C ATOM 1942 O ILE C 22 -1.963 6.994 -6.769 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.734 6.316 -4.208 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.532 7.533 -3.735 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.509 6.813 -4.954 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.725 7.123 -2.882 1.00 0.00 C ATOM 0 H ILE C 22 0.099 4.770 -6.144 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.262 4.872 -4.344 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.420 5.729 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -0.883 8.194 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.879 8.100 -4.599 1.00 0.00 H new ATOM 0 HG21 ILE C 22 1.073 7.488 -4.311 1.00 0.00 H new ATOM 0 HG22 ILE C 22 1.135 5.963 -5.225 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.204 7.342 -5.857 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.268 8.013 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.387 6.483 -3.466 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.375 6.579 -2.005 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.664 5.599 -6.316 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.502 6.111 -7.394 1.00 0.00 C ATOM 1960 C LEU C 23 -4.928 7.551 -7.100 1.00 0.00 C ATOM 1961 O LEU C 23 -5.166 8.327 -8.024 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.737 5.221 -7.586 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.486 3.736 -7.296 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.784 2.957 -7.472 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.437 3.142 -8.229 1.00 0.00 C ATOM 0 H LEU C 23 -4.105 4.880 -5.742 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.920 6.100 -8.316 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.535 5.578 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.092 5.326 -8.611 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.120 3.661 -6.272 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.606 1.902 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.535 3.340 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.141 3.072 -8.495 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.291 2.089 -7.988 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.774 3.235 -9.261 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.495 3.677 -8.105 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.018 7.908 -5.814 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.329 9.269 -5.398 1.00 0.00 C ATOM 1979 C GLY C 24 -5.925 9.305 -3.995 1.00 0.00 C ATOM 1980 O GLY C 24 -5.921 8.296 -3.296 1.00 0.00 O ATOM 0 H GLY C 24 -4.877 7.260 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.423 9.874 -5.425 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.031 9.714 -6.103 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.441 10.467 -3.586 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.121 10.610 -2.306 1.00 0.00 C ATOM 1986 C VAL C 25 -8.537 11.144 -2.532 1.00 0.00 C ATOM 1987 O VAL C 25 -8.861 11.594 -3.629 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.297 11.465 -1.320 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.813 11.087 -1.375 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.422 12.967 -1.568 1.00 0.00 C ATOM 0 H VAL C 25 -6.397 11.327 -4.132 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.213 9.631 -1.835 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.712 11.250 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.254 11.704 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.695 10.036 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.433 11.252 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.818 13.508 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -6.073 13.200 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.465 13.267 -1.468 1.00 0.00 H new ATOM 2000 N SER C 26 -9.381 11.091 -1.501 1.00 0.00 N ATOM 2001 CA SER C 26 -10.784 11.486 -1.603 1.00 0.00 C ATOM 2002 C SER C 26 -11.185 12.201 -0.320 1.00 0.00 C ATOM 2003 O SER C 26 -12.233 11.922 0.261 1.00 0.00 O ATOM 2004 CB SER C 26 -11.650 10.240 -1.809 1.00 0.00 C ATOM 2005 OG SER C 26 -12.859 10.587 -2.450 1.00 0.00 O ATOM 0 H SER C 26 -9.109 10.772 -0.571 1.00 0.00 H new ATOM 0 HA SER C 26 -10.927 12.156 -2.451 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.109 9.508 -2.408 1.00 0.00 H new ATOM 0 HB3 SER C 26 -11.861 9.772 -0.848 1.00 0.00 H new ATOM 0 HG SER C 26 -13.404 9.783 -2.578 1.00 0.00 H new ATOM 2011 N GLY C 27 -10.341 13.129 0.119 1.00 0.00 N ATOM 2012 CA GLY C 27 -10.459 13.725 1.436 1.00 0.00 C ATOM 2013 C GLY C 27 -9.351 13.136 2.298 1.00 0.00 C ATOM 2014 O GLY C 27 -8.253 12.890 1.796 1.00 0.00 O ATOM 0 H GLY C 27 -9.559 13.485 -0.430 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -10.365 14.809 1.377 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -11.437 13.512 1.868 1.00 0.00 H new ATOM 2018 N GLN C 28 -9.618 12.898 3.581 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.616 12.307 4.455 1.00 0.00 C ATOM 2020 C GLN C 28 -8.602 10.782 4.318 1.00 0.00 C ATOM 2021 O GLN C 28 -7.901 10.083 5.055 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.838 12.806 5.884 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.525 12.848 6.670 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.399 13.522 5.882 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -5.266 13.053 5.904 1.00 0.00 O ATOM 2026 NE2 GLN C 28 -6.694 14.616 5.184 1.00 0.00 N ATOM 0 H GLN C 28 -10.510 13.104 4.031 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.617 12.626 4.159 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.281 13.802 5.859 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -9.548 12.154 6.393 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.681 13.383 7.606 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -7.227 11.832 6.930 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -7.646 14.981 5.186 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -5.968 15.089 4.647 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.389 10.267 3.362 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.290 8.888 2.927 1.00 0.00 C ATOM 2037 C GLN C 29 -8.425 8.831 1.677 1.00 0.00 C ATOM 2038 O GLN C 29 -8.253 9.825 0.973 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.665 8.255 2.677 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.411 8.865 1.493 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.841 8.334 1.436 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -13.540 8.325 2.446 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.288 7.891 0.266 1.00 0.00 N ATOM 0 H GLN C 29 -10.108 10.804 2.876 1.00 0.00 H new ATOM 0 HA GLN C 29 -8.829 8.304 3.724 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.538 7.186 2.504 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.274 8.363 3.574 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.423 9.951 1.583 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.891 8.627 0.565 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -12.681 7.913 -0.553 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.238 7.529 0.187 1.00 0.00 H new ATOM 2052 N VAL C 30 -7.879 7.649 1.408 1.00 0.00 N ATOM 2053 CA VAL C 30 -6.930 7.431 0.334 1.00 0.00 C ATOM 2054 C VAL C 30 -7.421 6.256 -0.496 1.00 0.00 C ATOM 2055 O VAL C 30 -8.060 5.354 0.043 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.560 7.145 0.968 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.480 6.933 -0.084 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.116 8.322 1.837 1.00 0.00 C ATOM 0 H VAL C 30 -8.090 6.806 1.942 1.00 0.00 H new ATOM 0 HA VAL C 30 -6.838 8.299 -0.318 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.680 6.239 1.562 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.528 6.734 0.407 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.748 6.085 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.391 7.828 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.144 8.102 2.278 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.041 9.220 1.223 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -5.846 8.484 2.630 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.127 6.259 -1.797 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.538 5.193 -2.693 1.00 0.00 C ATOM 2070 C ARG C 31 -6.287 4.584 -3.301 1.00 0.00 C ATOM 2071 O ARG C 31 -5.509 5.269 -3.969 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.499 5.732 -3.758 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.119 4.564 -4.525 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.011 5.059 -5.664 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.166 5.816 -5.171 1.00 0.00 N ATOM 2076 CZ ARG C 31 -12.206 6.169 -5.935 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -12.256 5.835 -7.223 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -13.208 6.862 -5.406 1.00 0.00 N ATOM 0 H ARG C 31 -6.598 7.002 -2.253 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.081 4.418 -2.152 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.281 6.328 -3.288 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -7.966 6.389 -4.445 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.329 3.930 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.705 3.948 -3.843 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -9.426 5.688 -6.335 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -10.359 4.207 -6.248 1.00 0.00 H new ATOM 0 HE ARG C 31 -11.177 6.089 -4.188 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -11.494 5.302 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -13.057 6.112 -7.791 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -13.183 7.123 -4.420 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -14.003 7.133 -5.985 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.112 3.286 -3.058 1.00 0.00 N ATOM 2093 CA ILE C 32 -4.883 2.579 -3.366 1.00 0.00 C ATOM 2094 C ILE C 32 -5.223 1.355 -4.203 1.00 0.00 C ATOM 2095 O ILE C 32 -6.252 0.714 -3.987 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.207 2.175 -2.045 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -3.980 3.410 -1.158 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -2.877 1.464 -2.309 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.464 3.038 0.231 1.00 0.00 C ATOM 0 H ILE C 32 -6.830 2.696 -2.638 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.197 3.209 -3.932 1.00 0.00 H new ATOM 0 HB ILE C 32 -4.869 1.484 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.266 4.076 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.915 3.962 -1.060 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.417 1.188 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.056 0.566 -2.901 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.210 2.131 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.319 3.944 0.820 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.189 2.394 0.728 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.515 2.511 0.137 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.349 1.034 -5.157 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.518 -0.112 -6.030 1.00 0.00 C ATOM 2113 C GLY C 33 -3.427 -1.128 -5.753 1.00 0.00 C ATOM 2114 O GLY C 33 -2.343 -0.786 -5.278 1.00 0.00 O ATOM 0 H GLY C 33 -3.501 1.570 -5.341 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.498 -0.563 -5.870 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.479 0.203 -7.073 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.729 -2.389 -6.056 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.847 -3.505 -5.795 1.00 0.00 C ATOM 2120 C ILE C 34 -2.844 -4.368 -7.044 1.00 0.00 C ATOM 2121 O ILE C 34 -3.851 -4.460 -7.747 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.349 -4.271 -4.561 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.431 -3.319 -3.360 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.414 -5.441 -4.236 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.122 -3.972 -2.166 1.00 0.00 C ATOM 0 H ILE C 34 -4.609 -2.659 -6.496 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.829 -3.183 -5.577 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.340 -4.670 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.426 -3.008 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -3.974 -2.418 -3.646 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.786 -5.971 -3.359 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.377 -6.124 -5.085 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.413 -5.061 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.160 -3.266 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.136 -4.259 -2.445 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.564 -4.858 -1.863 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.710 -4.999 -7.321 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.533 -5.761 -8.540 1.00 0.00 C ATOM 2139 C ASN C 35 -0.771 -7.039 -8.219 1.00 0.00 C ATOM 2140 O ASN C 35 0.459 -7.056 -8.204 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.808 -4.899 -9.572 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.685 -5.600 -10.921 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.339 -6.609 -11.173 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.160 -5.066 -11.798 1.00 0.00 N ATOM 0 H ASN C 35 -0.895 -4.994 -6.708 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.496 -6.044 -8.965 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.345 -3.959 -9.700 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.186 -4.650 -9.201 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.282 -5.495 -12.715 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.686 -4.227 -11.553 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.527 -8.104 -7.961 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.973 -9.395 -7.599 1.00 0.00 C ATOM 2153 C ALA C 36 -1.767 -10.514 -8.264 1.00 0.00 C ATOM 2154 O ALA C 36 -2.932 -10.322 -8.618 1.00 0.00 O ATOM 2155 CB ALA C 36 -1.041 -9.542 -6.083 1.00 0.00 C ATOM 0 H ALA C 36 -2.546 -8.089 -7.999 1.00 0.00 H new ATOM 0 HA ALA C 36 0.062 -9.460 -7.936 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.628 -10.508 -5.792 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.464 -8.745 -5.614 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -2.079 -9.478 -5.757 1.00 0.00 H new ATOM 2161 N PRO C 37 -1.151 -11.688 -8.443 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.825 -12.875 -8.919 1.00 0.00 C ATOM 2163 C PRO C 37 -2.878 -13.332 -7.917 1.00 0.00 C ATOM 2164 O PRO C 37 -2.801 -13.017 -6.731 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.728 -13.934 -9.053 1.00 0.00 C ATOM 2166 CG PRO C 37 0.414 -13.447 -8.168 1.00 0.00 C ATOM 2167 CD PRO C 37 0.255 -11.938 -8.195 1.00 0.00 C ATOM 0 HA PRO C 37 -2.341 -12.696 -9.862 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -1.085 -14.912 -8.731 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.406 -14.037 -10.089 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.335 -13.842 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.384 -13.757 -8.556 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.569 -11.496 -7.249 1.00 0.00 H new ATOM 0 HD3 PRO C 37 0.874 -11.495 -8.975 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.873 -14.089 -8.394 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.860 -14.719 -7.522 1.00 0.00 C ATOM 2177 C LYS C 38 -4.177 -15.730 -6.598 1.00 0.00 C ATOM 2178 O LYS C 38 -4.831 -16.362 -5.773 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.944 -15.385 -8.376 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.793 -14.372 -9.152 1.00 0.00 C ATOM 2181 CD LYS C 38 -7.689 -13.549 -8.219 1.00 0.00 C ATOM 2182 CE LYS C 38 -9.166 -13.705 -8.602 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.423 -13.231 -9.975 1.00 0.00 N ATOM 0 H LYS C 38 -4.013 -14.278 -9.386 1.00 0.00 H new ATOM 0 HA LYS C 38 -5.332 -13.963 -6.895 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.475 -16.073 -9.079 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.593 -15.979 -7.733 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -6.140 -13.703 -9.712 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -7.411 -14.897 -9.880 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.540 -13.871 -7.188 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -7.405 -12.498 -8.269 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -9.456 -14.752 -8.518 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -9.785 -13.145 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -10.420 -12.949 -10.064 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -8.813 -12.414 -10.180 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.217 -13.995 -10.650 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.861 -15.881 -6.748 1.00 0.00 N ATOM 2198 CA ASP C 39 -2.023 -16.711 -5.907 1.00 0.00 C ATOM 2199 C ASP C 39 -1.941 -16.164 -4.483 1.00 0.00 C ATOM 2200 O ASP C 39 -1.459 -16.854 -3.584 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.620 -16.726 -6.518 1.00 0.00 C ATOM 2202 CG ASP C 39 0.206 -17.913 -6.021 1.00 0.00 C ATOM 2203 OD1 ASP C 39 -0.268 -19.060 -6.191 1.00 0.00 O ATOM 2204 OD2 ASP C 39 1.304 -17.663 -5.476 1.00 0.00 O ATOM 0 H ASP C 39 -2.339 -15.409 -7.486 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.449 -17.713 -5.855 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.698 -16.767 -7.604 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -0.106 -15.797 -6.270 1.00 0.00 H new ATOM 2209 N VAL C 40 -2.410 -14.927 -4.271 1.00 0.00 N ATOM 2210 CA VAL C 40 -2.343 -14.252 -2.980 1.00 0.00 C ATOM 2211 C VAL C 40 -3.647 -13.512 -2.706 1.00 0.00 C ATOM 2212 O VAL C 40 -4.419 -13.233 -3.622 1.00 0.00 O ATOM 2213 CB VAL C 40 -1.147 -13.286 -2.943 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.125 -13.961 -3.461 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -1.393 -12.034 -3.784 1.00 0.00 C ATOM 0 H VAL C 40 -2.849 -14.367 -5.001 1.00 0.00 H new ATOM 0 HA VAL C 40 -2.201 -14.998 -2.198 1.00 0.00 H new ATOM 0 HB VAL C 40 -1.024 -13.000 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL C 40 0.954 -13.254 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL C 40 0.357 -14.826 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -0.028 -14.285 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.522 -11.381 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.565 -12.321 -4.821 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -2.267 -11.506 -3.403 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.893 -13.191 -1.433 1.00 0.00 N ATOM 2226 CA ALA C 41 -5.099 -12.502 -1.009 1.00 0.00 C ATOM 2227 C ALA C 41 -4.770 -11.058 -0.640 1.00 0.00 C ATOM 2228 O ALA C 41 -3.706 -10.799 -0.082 1.00 0.00 O ATOM 2229 CB ALA C 41 -5.677 -13.244 0.199 1.00 0.00 C ATOM 0 H ALA C 41 -3.253 -13.406 -0.669 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.830 -12.488 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -6.585 -12.742 0.534 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.913 -14.270 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.946 -13.249 1.007 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.670 -10.115 -0.944 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.442 -8.707 -0.631 1.00 0.00 C ATOM 2237 C VAL C 42 -6.747 -8.023 -0.223 1.00 0.00 C ATOM 2238 O VAL C 42 -7.666 -7.888 -1.031 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.779 -7.983 -1.819 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.369 -8.524 -2.060 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.539 -8.153 -3.134 1.00 0.00 C ATOM 0 H VAL C 42 -6.560 -10.305 -1.405 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.758 -8.652 0.216 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.773 -6.929 -1.540 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.917 -8.000 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.762 -8.368 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.421 -9.590 -2.281 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.017 -7.618 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.596 -9.212 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.546 -7.751 -3.027 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.841 -7.581 1.038 1.00 0.00 N ATOM 2252 CA HIS C 43 -8.047 -6.917 1.529 1.00 0.00 C ATOM 2253 C HIS C 43 -7.760 -6.054 2.754 1.00 0.00 C ATOM 2254 O HIS C 43 -6.673 -6.106 3.326 1.00 0.00 O ATOM 2255 CB HIS C 43 -9.148 -7.921 1.908 1.00 0.00 C ATOM 2256 CG HIS C 43 -9.135 -9.225 1.158 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.979 -9.565 0.099 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -8.290 -10.263 1.418 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.615 -10.805 -0.259 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.613 -11.254 0.522 1.00 0.00 N ATOM 0 H HIS C 43 -6.098 -7.672 1.731 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.390 -6.291 0.705 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -9.065 -8.136 2.973 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -10.116 -7.445 1.753 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.715 -8.992 -0.314 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -7.521 -10.299 2.176 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.064 -11.368 -1.064 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.755 -5.257 3.154 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.728 -4.460 4.378 1.00 0.00 C ATOM 2270 C ARG C 44 -8.718 -5.376 5.598 1.00 0.00 C ATOM 2271 O ARG C 44 -9.121 -6.532 5.501 1.00 0.00 O ATOM 2272 CB ARG C 44 -9.968 -3.567 4.414 1.00 0.00 C ATOM 2273 CG ARG C 44 -9.961 -2.538 3.282 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.238 -1.701 3.339 1.00 0.00 C ATOM 2275 NE ARG C 44 -12.424 -2.516 3.055 1.00 0.00 N ATOM 2276 CZ ARG C 44 -13.640 -2.295 3.566 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -13.858 -1.284 4.402 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -14.652 -3.091 3.240 1.00 0.00 N ATOM 0 H ARG C 44 -9.619 -5.147 2.623 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.828 -3.846 4.394 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -10.863 -4.185 4.338 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -10.017 -3.052 5.373 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -9.087 -1.892 3.370 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -9.888 -3.043 2.319 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.334 -1.247 4.325 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -11.173 -0.886 2.618 1.00 0.00 H new ATOM 0 HE ARG C 44 -12.313 -3.308 2.422 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -13.092 -0.663 4.662 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -14.792 -1.129 4.783 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -14.502 -3.871 2.600 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -15.579 -2.922 3.630 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.264 -4.882 6.754 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.215 -5.694 7.971 1.00 0.00 C ATOM 2294 C GLU C 45 -9.603 -6.186 8.380 1.00 0.00 C ATOM 2295 O GLU C 45 -9.725 -7.270 8.945 1.00 0.00 O ATOM 2296 CB GLU C 45 -7.610 -4.882 9.118 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.152 -4.520 8.846 1.00 0.00 C ATOM 2298 CD GLU C 45 -5.293 -5.769 8.680 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -4.852 -6.313 9.719 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -5.090 -6.166 7.514 1.00 0.00 O ATOM 0 H GLU C 45 -7.926 -3.927 6.871 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.593 -6.564 7.759 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.190 -3.971 9.264 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -7.676 -5.454 10.043 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -6.088 -3.910 7.945 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -5.765 -3.917 9.667 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.655 -5.413 8.098 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.023 -5.804 8.416 1.00 0.00 C ATOM 2309 C GLU C 46 -12.532 -6.903 7.481 1.00 0.00 C ATOM 2310 O GLU C 46 -13.622 -7.430 7.692 1.00 0.00 O ATOM 2311 CB GLU C 46 -12.962 -4.593 8.387 1.00 0.00 C ATOM 2312 CG GLU C 46 -12.854 -3.757 7.106 1.00 0.00 C ATOM 2313 CD GLU C 46 -11.940 -2.545 7.302 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -10.736 -2.758 7.564 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -12.445 -1.410 7.186 1.00 0.00 O ATOM 0 H GLU C 46 -10.579 -4.503 7.644 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.015 -6.210 9.428 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -13.990 -4.939 8.498 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -12.745 -3.956 9.245 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -12.469 -4.377 6.297 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -13.846 -3.421 6.805 1.00 0.00 H new ATOM 2322 N ILE C 47 -11.755 -7.256 6.450 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.067 -8.355 5.550 1.00 0.00 C ATOM 2324 C ILE C 47 -11.079 -9.484 5.816 1.00 0.00 C ATOM 2325 O ILE C 47 -11.408 -10.659 5.668 1.00 0.00 O ATOM 2326 CB ILE C 47 -11.931 -7.868 4.106 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -12.813 -6.647 3.822 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -12.261 -9.001 3.129 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -14.286 -6.932 4.090 1.00 0.00 C ATOM 0 H ILE C 47 -10.884 -6.777 6.221 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.085 -8.711 5.711 1.00 0.00 H new ATOM 0 HB ILE C 47 -10.895 -7.560 3.964 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -12.487 -5.812 4.442 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -12.686 -6.342 2.783 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -12.160 -8.640 2.106 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -11.574 -9.832 3.290 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -13.284 -9.338 3.295 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.874 -6.040 3.876 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -14.621 -7.749 3.451 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -14.418 -7.211 5.135 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.863 -9.104 6.216 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.760 -10.017 6.456 1.00 0.00 C ATOM 2343 C TYR C 48 -9.067 -11.005 7.576 1.00 0.00 C ATOM 2344 O TYR C 48 -8.593 -12.138 7.560 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.540 -9.191 6.821 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.356 -10.056 7.139 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.582 -10.594 6.102 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -6.040 -10.330 8.476 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.476 -11.398 6.401 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.949 -11.150 8.782 1.00 0.00 C ATOM 2351 CZ TYR C 48 -4.149 -11.678 7.743 1.00 0.00 C ATOM 2352 OH TYR C 48 -3.070 -12.457 8.039 1.00 0.00 O ATOM 0 H TYR C 48 -9.620 -8.128 6.384 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.585 -10.602 5.553 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.292 -8.525 5.995 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.771 -8.561 7.680 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.839 -10.388 5.073 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.638 -9.908 9.270 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.873 -11.804 5.603 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.718 -11.380 9.812 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.989 -12.548 9.011 1.00 0.00 H new