USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 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: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: C 13 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.4) USER MOD Set 1.3: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot -85:sc= 0.241 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0.225 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.581 K(o=-0.58,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= 0.366 USER MOD Set 4.2: A 21 THR OG1 : rot -73:sc= 0.393 USER MOD Single : A 1 MET CE :methyl 178:sc=-0.00613 (180deg=-0.0116) USER MOD Single : A 1 MET N :NH3+ -94:sc= 0.0504 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00053 USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.0799 (180deg=-0.414) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.758 X(o=-0.76,f=-0.78) USER MOD Single : A 29 GLN : amide:sc= -0.873 X(o=-0.87,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= -0.245 (180deg=-0.698) USER MOD Single : A 43 HIS : no HE2:sc= -0.952 K(o=-0.95,f=-1.9) USER MOD Single : C 1 MET CE :methyl 177:sc= -0.04 (180deg=-0.0461) USER MOD Single : C 1 MET N :NH3+ -102:sc= 0.058 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 37:sc= 0.0936 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= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : C 29 GLN : amide:sc= -0.195 K(o=-0.2,f=-2.3!) USER MOD Single : C 35 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.5!) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HE2:sc= -1.64 K(o=-1.6,f=-2.9) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.301 10.254 -3.139 1.00 0.00 N ATOM 2 CA MET A 1 -7.330 9.149 -3.254 1.00 0.00 C ATOM 3 C MET A 1 -6.123 9.574 -4.079 1.00 0.00 C ATOM 4 O MET A 1 -6.234 10.440 -4.941 1.00 0.00 O ATOM 5 CB MET A 1 -7.970 7.936 -3.933 1.00 0.00 C ATOM 6 CG MET A 1 -7.110 6.674 -3.892 1.00 0.00 C ATOM 7 SD MET A 1 -7.578 5.488 -2.624 1.00 0.00 S ATOM 8 CE MET A 1 -8.932 4.792 -3.588 1.00 0.00 C ATOM 0 H1 MET A 1 -8.123 10.783 -2.261 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.199 10.892 -3.954 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.266 9.867 -3.121 1.00 0.00 H new ATOM 0 HA MET A 1 -7.015 8.887 -2.244 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.926 7.727 -3.454 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.182 8.185 -4.973 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.160 6.185 -4.865 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.071 6.963 -3.734 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.394 3.977 -3.031 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.675 5.565 -3.783 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.547 4.412 -4.534 1.00 0.00 H new ATOM 20 N LEU A 2 -4.973 8.956 -3.808 1.00 0.00 N ATOM 21 CA LEU A 2 -3.771 9.100 -4.605 1.00 0.00 C ATOM 22 C LEU A 2 -3.312 7.691 -4.981 1.00 0.00 C ATOM 23 O LEU A 2 -2.871 6.925 -4.124 1.00 0.00 O ATOM 24 CB LEU A 2 -2.749 9.907 -3.788 1.00 0.00 C ATOM 25 CG LEU A 2 -1.437 10.232 -4.513 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.470 9.052 -4.477 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.668 10.637 -5.965 1.00 0.00 C ATOM 0 H LEU A 2 -4.857 8.331 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.922 9.651 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.214 10.843 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.515 9.351 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.000 11.075 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.448 9.318 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.239 8.803 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.928 8.191 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.711 10.858 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.156 9.820 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.302 11.523 -5.999 1.00 0.00 H new ATOM 39 N ILE A 3 -3.421 7.362 -6.272 1.00 0.00 N ATOM 40 CA ILE A 3 -3.129 6.040 -6.802 1.00 0.00 C ATOM 41 C ILE A 3 -1.811 6.054 -7.564 1.00 0.00 C ATOM 42 O ILE A 3 -1.490 7.031 -8.242 1.00 0.00 O ATOM 43 CB ILE A 3 -4.253 5.602 -7.755 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.606 5.463 -7.047 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.919 4.246 -8.378 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.367 6.784 -7.042 1.00 0.00 C ATOM 0 H ILE A 3 -3.721 8.025 -6.986 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.056 5.341 -5.969 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.329 6.381 -8.514 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.203 4.699 -7.545 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.450 5.127 -6.022 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.723 3.947 -9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.987 4.322 -8.938 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.809 3.501 -7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.322 6.652 -6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.780 7.540 -6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.545 7.106 -8.068 1.00 0.00 H new ATOM 58 N LEU A 4 -1.050 4.964 -7.455 1.00 0.00 N ATOM 59 CA LEU A 4 0.169 4.766 -8.223 1.00 0.00 C ATOM 60 C LEU A 4 0.568 3.290 -8.243 1.00 0.00 C ATOM 61 O LEU A 4 -0.041 2.467 -7.555 1.00 0.00 O ATOM 62 CB LEU A 4 1.283 5.689 -7.713 1.00 0.00 C ATOM 63 CG LEU A 4 1.367 5.857 -6.191 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.887 4.604 -5.494 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.339 6.998 -5.917 1.00 0.00 C ATOM 0 H LEU A 4 -1.268 4.192 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.013 5.045 -9.261 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.239 5.305 -8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.147 6.673 -8.161 1.00 0.00 H new ATOM 0 HG LEU A 4 0.367 6.054 -5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.927 4.776 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.220 3.768 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.886 4.371 -5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.427 7.150 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.317 6.750 -6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.969 7.911 -6.384 1.00 0.00 H new ATOM 77 N THR A 5 1.596 2.950 -9.033 1.00 0.00 N ATOM 78 CA THR A 5 2.086 1.578 -9.147 1.00 0.00 C ATOM 79 C THR A 5 3.450 1.432 -8.497 1.00 0.00 C ATOM 80 O THR A 5 4.205 2.397 -8.377 1.00 0.00 O ATOM 81 CB THR A 5 2.232 1.152 -10.614 1.00 0.00 C ATOM 82 OG1 THR A 5 2.654 2.234 -11.407 1.00 0.00 O ATOM 83 CG2 THR A 5 0.949 0.567 -11.197 1.00 0.00 C ATOM 0 H THR A 5 2.107 3.620 -9.608 1.00 0.00 H new ATOM 0 HA THR A 5 1.352 0.948 -8.645 1.00 0.00 H new ATOM 0 HB THR A 5 2.986 0.365 -10.626 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.743 1.942 -12.338 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.117 0.285 -12.236 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.658 -0.314 -10.625 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.154 1.311 -11.147 1.00 0.00 H new ATOM 91 N ARG A 6 3.750 0.200 -8.086 1.00 0.00 N ATOM 92 CA ARG A 6 5.026 -0.196 -7.508 1.00 0.00 C ATOM 93 C ARG A 6 5.352 -1.619 -7.936 1.00 0.00 C ATOM 94 O ARG A 6 4.490 -2.323 -8.458 1.00 0.00 O ATOM 95 CB ARG A 6 4.943 -0.137 -5.981 1.00 0.00 C ATOM 96 CG ARG A 6 5.203 1.266 -5.431 1.00 0.00 C ATOM 97 CD ARG A 6 6.680 1.490 -5.090 1.00 0.00 C ATOM 98 NE ARG A 6 7.580 1.394 -6.247 1.00 0.00 N ATOM 99 CZ ARG A 6 8.741 2.053 -6.326 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.144 2.842 -5.334 1.00 0.00 N ATOM 101 NH2 ARG A 6 9.514 1.924 -7.401 1.00 0.00 N ATOM 0 H ARG A 6 3.087 -0.572 -8.150 1.00 0.00 H new ATOM 0 HA ARG A 6 5.805 0.483 -7.855 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.956 -0.471 -5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.668 -0.830 -5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.885 2.007 -6.165 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.598 1.422 -4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.792 2.474 -4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.985 0.757 -4.343 1.00 0.00 H new ATOM 0 HE ARG A 6 7.306 0.796 -7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.565 2.950 -4.501 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.032 3.339 -5.406 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.222 1.320 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.399 2.429 -7.457 1.00 0.00 H new ATOM 115 N LYS A 7 6.599 -2.030 -7.717 1.00 0.00 N ATOM 116 CA LYS A 7 7.058 -3.369 -8.033 1.00 0.00 C ATOM 117 C LYS A 7 7.438 -4.073 -6.741 1.00 0.00 C ATOM 118 O LYS A 7 7.801 -3.429 -5.761 1.00 0.00 O ATOM 119 CB LYS A 7 8.276 -3.290 -8.946 1.00 0.00 C ATOM 120 CG LYS A 7 7.934 -2.986 -10.403 1.00 0.00 C ATOM 121 CD LYS A 7 7.259 -4.194 -11.046 1.00 0.00 C ATOM 122 CE LYS A 7 7.152 -4.070 -12.561 1.00 0.00 C ATOM 123 NZ LYS A 7 8.473 -3.976 -13.205 1.00 0.00 N ATOM 0 H LYS A 7 7.321 -1.434 -7.312 1.00 0.00 H new ATOM 0 HA LYS A 7 6.267 -3.922 -8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.950 -2.519 -8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.816 -4.236 -8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.275 -2.120 -10.457 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.841 -2.731 -10.952 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.821 -5.094 -10.798 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.261 -4.315 -10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.617 -4.933 -12.958 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.564 -3.187 -12.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.382 -4.198 -14.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.845 -3.011 -13.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.125 -4.652 -12.759 1.00 0.00 H new ATOM 137 N VAL A 8 7.357 -5.404 -6.740 1.00 0.00 N ATOM 138 CA VAL A 8 7.702 -6.190 -5.568 1.00 0.00 C ATOM 139 C VAL A 8 9.141 -5.899 -5.152 1.00 0.00 C ATOM 140 O VAL A 8 10.058 -5.984 -5.966 1.00 0.00 O ATOM 141 CB VAL A 8 7.466 -7.680 -5.832 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.968 -7.938 -5.986 1.00 0.00 C ATOM 143 CG2 VAL A 8 8.148 -8.182 -7.107 1.00 0.00 C ATOM 0 H VAL A 8 7.054 -5.956 -7.542 1.00 0.00 H new ATOM 0 HA VAL A 8 7.054 -5.907 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 8 7.892 -8.212 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.799 -8.998 -6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.452 -7.645 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.583 -7.355 -6.823 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.942 -9.244 -7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.765 -7.631 -7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.224 -8.028 -7.029 1.00 0.00 H new ATOM 153 N GLY A 9 9.331 -5.553 -3.879 1.00 0.00 N ATOM 154 CA GLY A 9 10.649 -5.226 -3.351 1.00 0.00 C ATOM 155 C GLY A 9 10.891 -3.720 -3.254 1.00 0.00 C ATOM 156 O GLY A 9 12.007 -3.302 -2.949 1.00 0.00 O ATOM 0 H GLY A 9 8.580 -5.493 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.760 -5.672 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.412 -5.672 -3.989 1.00 0.00 H new ATOM 160 N GLU A 10 9.864 -2.900 -3.506 1.00 0.00 N ATOM 161 CA GLU A 10 9.984 -1.448 -3.474 1.00 0.00 C ATOM 162 C GLU A 10 9.073 -0.848 -2.403 1.00 0.00 C ATOM 163 O GLU A 10 8.349 -1.577 -1.720 1.00 0.00 O ATOM 164 CB GLU A 10 9.650 -0.870 -4.853 1.00 0.00 C ATOM 165 CG GLU A 10 10.565 -1.421 -5.951 1.00 0.00 C ATOM 166 CD GLU A 10 12.035 -1.087 -5.696 1.00 0.00 C ATOM 167 OE1 GLU A 10 12.302 0.046 -5.236 1.00 0.00 O ATOM 168 OE2 GLU A 10 12.884 -1.967 -5.962 1.00 0.00 O ATOM 0 H GLU A 10 8.927 -3.231 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 10 11.012 -1.188 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.613 -1.098 -5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.738 0.216 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.445 -2.503 -6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.262 -1.011 -6.914 1.00 0.00 H new ATOM 175 N SER A 11 9.103 0.481 -2.243 1.00 0.00 N ATOM 176 CA SER A 11 8.429 1.138 -1.130 1.00 0.00 C ATOM 177 C SER A 11 7.728 2.444 -1.515 1.00 0.00 C ATOM 178 O SER A 11 7.894 2.961 -2.620 1.00 0.00 O ATOM 179 CB SER A 11 9.459 1.431 -0.038 1.00 0.00 C ATOM 180 OG SER A 11 10.050 0.231 0.419 1.00 0.00 O ATOM 0 H SER A 11 9.589 1.118 -2.874 1.00 0.00 H new ATOM 0 HA SER A 11 7.651 0.457 -0.785 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.229 2.098 -0.426 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.979 1.947 0.794 1.00 0.00 H new ATOM 0 HG SER A 11 10.708 0.435 1.116 1.00 0.00 H new ATOM 186 N ILE A 12 6.941 2.954 -0.561 1.00 0.00 N ATOM 187 CA ILE A 12 6.146 4.179 -0.636 1.00 0.00 C ATOM 188 C ILE A 12 6.238 4.862 0.733 1.00 0.00 C ATOM 189 O ILE A 12 6.634 4.222 1.708 1.00 0.00 O ATOM 190 CB ILE A 12 4.689 3.798 -0.969 1.00 0.00 C ATOM 191 CG1 ILE A 12 4.553 3.167 -2.359 1.00 0.00 C ATOM 192 CG2 ILE A 12 3.733 4.994 -0.872 1.00 0.00 C ATOM 193 CD1 ILE A 12 4.937 4.126 -3.487 1.00 0.00 C ATOM 0 H ILE A 12 6.838 2.490 0.341 1.00 0.00 H new ATOM 0 HA ILE A 12 6.508 4.857 -1.409 1.00 0.00 H new ATOM 0 HB ILE A 12 4.410 3.061 -0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.183 2.279 -2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.524 2.837 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.721 4.671 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.752 5.394 0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.046 5.768 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.821 3.623 -4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.290 5.003 -3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.975 4.436 -3.363 1.00 0.00 H new ATOM 205 N ASN A 13 5.883 6.148 0.837 1.00 0.00 N ATOM 206 CA ASN A 13 5.969 6.869 2.101 1.00 0.00 C ATOM 207 C ASN A 13 4.705 7.691 2.358 1.00 0.00 C ATOM 208 O ASN A 13 4.037 8.115 1.414 1.00 0.00 O ATOM 209 CB ASN A 13 7.199 7.779 2.071 1.00 0.00 C ATOM 210 CG ASN A 13 7.606 8.188 3.477 1.00 0.00 C ATOM 211 OD1 ASN A 13 7.053 9.118 4.054 1.00 0.00 O ATOM 212 ND2 ASN A 13 8.586 7.483 4.036 1.00 0.00 N ATOM 0 H ASN A 13 5.534 6.706 0.058 1.00 0.00 H new ATOM 0 HA ASN A 13 6.061 6.148 2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.026 7.263 1.584 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.984 8.668 1.477 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.903 7.709 4.979 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.020 6.716 3.522 1.00 0.00 H new ATOM 219 N ILE A 14 4.383 7.908 3.639 1.00 0.00 N ATOM 220 CA ILE A 14 3.212 8.662 4.057 1.00 0.00 C ATOM 221 C ILE A 14 3.511 9.435 5.342 1.00 0.00 C ATOM 222 O ILE A 14 4.237 8.956 6.208 1.00 0.00 O ATOM 223 CB ILE A 14 2.040 7.702 4.315 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.694 6.915 3.041 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.817 8.480 4.816 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.546 5.929 3.261 1.00 0.00 C ATOM 0 H ILE A 14 4.940 7.557 4.418 1.00 0.00 H new ATOM 0 HA ILE A 14 2.950 9.363 3.265 1.00 0.00 H new ATOM 0 HB ILE A 14 2.339 6.990 5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.424 7.612 2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.576 6.372 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.006 7.788 4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.068 8.994 5.744 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.519 9.212 4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.340 5.398 2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.824 5.213 4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.346 6.473 3.574 1.00 0.00 H new ATOM 238 N GLY A 15 2.939 10.638 5.464 1.00 0.00 N ATOM 239 CA GLY A 15 2.965 11.438 6.683 1.00 0.00 C ATOM 240 C GLY A 15 4.364 11.760 7.203 1.00 0.00 C ATOM 241 O GLY A 15 4.499 12.209 8.338 1.00 0.00 O ATOM 0 H GLY A 15 2.436 11.088 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.436 12.373 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.416 10.908 7.461 1.00 0.00 H new ATOM 245 N ASP A 16 5.399 11.526 6.390 1.00 0.00 N ATOM 246 CA ASP A 16 6.794 11.747 6.753 1.00 0.00 C ATOM 247 C ASP A 16 7.234 10.973 8.005 1.00 0.00 C ATOM 248 O ASP A 16 8.321 11.225 8.520 1.00 0.00 O ATOM 249 CB ASP A 16 7.065 13.253 6.877 1.00 0.00 C ATOM 250 CG ASP A 16 6.642 14.005 5.617 1.00 0.00 C ATOM 251 OD1 ASP A 16 7.334 13.845 4.588 1.00 0.00 O ATOM 252 OD2 ASP A 16 5.629 14.737 5.692 1.00 0.00 O ATOM 0 H ASP A 16 5.283 11.170 5.441 1.00 0.00 H new ATOM 0 HA ASP A 16 7.408 11.342 5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.526 13.651 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.126 13.418 7.061 1.00 0.00 H new ATOM 257 N ASP A 17 6.408 10.040 8.496 1.00 0.00 N ATOM 258 CA ASP A 17 6.739 9.187 9.635 1.00 0.00 C ATOM 259 C ASP A 17 6.224 7.768 9.418 1.00 0.00 C ATOM 260 O ASP A 17 6.281 6.948 10.334 1.00 0.00 O ATOM 261 CB ASP A 17 6.169 9.748 10.940 1.00 0.00 C ATOM 262 CG ASP A 17 6.734 11.119 11.290 1.00 0.00 C ATOM 263 OD1 ASP A 17 7.919 11.172 11.684 1.00 0.00 O ATOM 264 OD2 ASP A 17 5.977 12.110 11.161 1.00 0.00 O ATOM 0 H ASP A 17 5.483 9.858 8.107 1.00 0.00 H new ATOM 0 HA ASP A 17 7.826 9.164 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.084 9.817 10.857 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.383 9.054 11.753 1.00 0.00 H new ATOM 269 N ILE A 18 5.716 7.469 8.219 1.00 0.00 N ATOM 270 CA ILE A 18 5.200 6.149 7.888 1.00 0.00 C ATOM 271 C ILE A 18 5.776 5.723 6.546 1.00 0.00 C ATOM 272 O ILE A 18 5.983 6.550 5.658 1.00 0.00 O ATOM 273 CB ILE A 18 3.663 6.156 7.829 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.023 6.616 9.146 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.151 4.751 7.495 1.00 0.00 C ATOM 276 CD1 ILE A 18 2.782 8.126 9.141 1.00 0.00 C ATOM 0 H ILE A 18 5.653 8.140 7.453 1.00 0.00 H new ATOM 0 HA ILE A 18 5.498 5.443 8.663 1.00 0.00 H new ATOM 0 HB ILE A 18 3.379 6.867 7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.078 6.094 9.297 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.671 6.350 9.981 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.062 4.761 7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.547 4.439 6.529 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.479 4.052 8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.328 8.425 10.086 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.732 8.646 9.014 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.114 8.385 8.319 1.00 0.00 H new ATOM 288 N THR A 19 6.035 4.423 6.400 1.00 0.00 N ATOM 289 CA THR A 19 6.580 3.862 5.174 1.00 0.00 C ATOM 290 C THR A 19 5.868 2.550 4.891 1.00 0.00 C ATOM 291 O THR A 19 5.391 1.886 5.811 1.00 0.00 O ATOM 292 CB THR A 19 8.088 3.644 5.337 1.00 0.00 C ATOM 293 OG1 THR A 19 8.689 4.794 5.899 1.00 0.00 O ATOM 294 CG2 THR A 19 8.756 3.380 3.991 1.00 0.00 C ATOM 0 H THR A 19 5.871 3.733 7.133 1.00 0.00 H new ATOM 0 HA THR A 19 6.426 4.542 4.337 1.00 0.00 H new ATOM 0 HB THR A 19 8.222 2.781 5.989 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.652 4.644 6.000 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.825 3.229 4.139 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.323 2.488 3.539 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.598 4.234 3.332 1.00 0.00 H new ATOM 302 N ILE A 20 5.792 2.176 3.613 1.00 0.00 N ATOM 303 CA ILE A 20 5.110 0.973 3.166 1.00 0.00 C ATOM 304 C ILE A 20 6.039 0.244 2.210 1.00 0.00 C ATOM 305 O ILE A 20 6.770 0.888 1.457 1.00 0.00 O ATOM 306 CB ILE A 20 3.817 1.368 2.434 1.00 0.00 C ATOM 307 CG1 ILE A 20 2.889 2.252 3.282 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.064 0.116 1.968 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.292 1.521 4.483 1.00 0.00 C ATOM 0 H ILE A 20 6.210 2.712 2.853 1.00 0.00 H new ATOM 0 HA ILE A 20 4.856 0.333 4.011 1.00 0.00 H new ATOM 0 HB ILE A 20 4.119 1.962 1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.447 3.120 3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.080 2.626 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.151 0.412 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.696 -0.457 1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.810 -0.498 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.647 2.201 5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.708 0.669 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.095 1.171 5.132 1.00 0.00 H new ATOM 321 N THR A 21 6.018 -1.089 2.228 1.00 0.00 N ATOM 322 CA THR A 21 6.863 -1.878 1.342 1.00 0.00 C ATOM 323 C THR A 21 6.079 -3.071 0.801 1.00 0.00 C ATOM 324 O THR A 21 5.592 -3.899 1.567 1.00 0.00 O ATOM 325 CB THR A 21 8.109 -2.350 2.094 1.00 0.00 C ATOM 326 OG1 THR A 21 8.745 -1.252 2.710 1.00 0.00 O ATOM 327 CG2 THR A 21 9.107 -3.011 1.146 1.00 0.00 C ATOM 0 H THR A 21 5.424 -1.641 2.847 1.00 0.00 H new ATOM 0 HA THR A 21 7.178 -1.260 0.501 1.00 0.00 H new ATOM 0 HB THR A 21 7.788 -3.074 2.842 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.186 -0.704 2.027 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.982 -3.336 1.708 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.640 -3.873 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.412 -2.296 0.382 1.00 0.00 H new ATOM 335 N ILE A 22 5.955 -3.151 -0.527 1.00 0.00 N ATOM 336 CA ILE A 22 5.330 -4.281 -1.199 1.00 0.00 C ATOM 337 C ILE A 22 6.317 -5.448 -1.169 1.00 0.00 C ATOM 338 O ILE A 22 7.248 -5.511 -1.972 1.00 0.00 O ATOM 339 CB ILE A 22 4.901 -3.874 -2.619 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.528 -5.084 -3.481 1.00 0.00 C ATOM 341 CG2 ILE A 22 5.976 -3.075 -3.357 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.452 -5.938 -2.827 1.00 0.00 C ATOM 0 H ILE A 22 6.289 -2.428 -1.164 1.00 0.00 H new ATOM 0 HA ILE A 22 4.418 -4.599 -0.693 1.00 0.00 H new ATOM 0 HB ILE A 22 4.025 -3.242 -2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.177 -4.742 -4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.416 -5.691 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.617 -2.816 -4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.197 -2.163 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.881 -3.676 -3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.218 -6.785 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.812 -6.303 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.554 -5.339 -2.675 1.00 0.00 H new ATOM 354 N LEU A 23 6.119 -6.382 -0.235 1.00 0.00 N ATOM 355 CA LEU A 23 7.083 -7.449 -0.010 1.00 0.00 C ATOM 356 C LEU A 23 7.041 -8.495 -1.123 1.00 0.00 C ATOM 357 O LEU A 23 8.049 -9.149 -1.391 1.00 0.00 O ATOM 358 CB LEU A 23 6.821 -8.110 1.346 1.00 0.00 C ATOM 359 CG LEU A 23 6.695 -7.091 2.482 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.649 -7.834 3.812 1.00 0.00 C ATOM 361 CD2 LEU A 23 7.873 -6.119 2.527 1.00 0.00 C ATOM 0 H LEU A 23 5.301 -6.416 0.373 1.00 0.00 H new ATOM 0 HA LEU A 23 8.079 -7.006 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.906 -8.699 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.632 -8.802 1.572 1.00 0.00 H new ATOM 0 HG LEU A 23 5.784 -6.519 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.559 -7.116 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.791 -8.506 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.564 -8.413 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.735 -5.418 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.798 -6.675 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.927 -5.569 1.587 1.00 0.00 H new ATOM 373 N GLY A 24 5.887 -8.659 -1.777 1.00 0.00 N ATOM 374 CA GLY A 24 5.757 -9.584 -2.890 1.00 0.00 C ATOM 375 C GLY A 24 4.298 -9.884 -3.211 1.00 0.00 C ATOM 376 O GLY A 24 3.395 -9.353 -2.568 1.00 0.00 O ATOM 0 H GLY A 24 5.029 -8.157 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.244 -9.164 -3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.275 -10.513 -2.652 1.00 0.00 H new ATOM 380 N VAL A 25 4.065 -10.740 -4.208 1.00 0.00 N ATOM 381 CA VAL A 25 2.712 -11.140 -4.589 1.00 0.00 C ATOM 382 C VAL A 25 2.529 -12.645 -4.453 1.00 0.00 C ATOM 383 O VAL A 25 3.498 -13.400 -4.365 1.00 0.00 O ATOM 384 CB VAL A 25 2.385 -10.716 -6.027 1.00 0.00 C ATOM 385 CG1 VAL A 25 2.549 -9.211 -6.215 1.00 0.00 C ATOM 386 CG2 VAL A 25 3.251 -11.492 -7.020 1.00 0.00 C ATOM 0 H VAL A 25 4.801 -11.171 -4.768 1.00 0.00 H new ATOM 0 HA VAL A 25 2.027 -10.633 -3.910 1.00 0.00 H new ATOM 0 HB VAL A 25 1.339 -10.955 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.310 -8.945 -7.245 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.876 -8.684 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.579 -8.927 -5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.008 -11.181 -8.036 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.303 -11.290 -6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.060 -12.560 -6.912 1.00 0.00 H new ATOM 396 N SER A 26 1.265 -13.059 -4.438 1.00 0.00 N ATOM 397 CA SER A 26 0.846 -14.445 -4.379 1.00 0.00 C ATOM 398 C SER A 26 -0.509 -14.542 -5.075 1.00 0.00 C ATOM 399 O SER A 26 -1.509 -14.933 -4.465 1.00 0.00 O ATOM 400 CB SER A 26 0.754 -14.917 -2.925 1.00 0.00 C ATOM 401 OG SER A 26 2.028 -14.917 -2.322 1.00 0.00 O ATOM 0 H SER A 26 0.479 -12.409 -4.468 1.00 0.00 H new ATOM 0 HA SER A 26 1.571 -15.089 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.082 -14.265 -2.367 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.328 -15.920 -2.889 1.00 0.00 H new ATOM 0 HG SER A 26 1.950 -15.220 -1.393 1.00 0.00 H new ATOM 407 N GLY A 27 -0.550 -14.177 -6.359 1.00 0.00 N ATOM 408 CA GLY A 27 -1.794 -14.170 -7.105 1.00 0.00 C ATOM 409 C GLY A 27 -2.633 -12.976 -6.675 1.00 0.00 C ATOM 410 O GLY A 27 -2.120 -11.860 -6.573 1.00 0.00 O ATOM 0 H GLY A 27 0.267 -13.884 -6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.589 -14.119 -8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.342 -15.096 -6.929 1.00 0.00 H new ATOM 414 N GLN A 28 -3.924 -13.199 -6.423 1.00 0.00 N ATOM 415 CA GLN A 28 -4.793 -12.139 -5.942 1.00 0.00 C ATOM 416 C GLN A 28 -4.363 -11.689 -4.550 1.00 0.00 C ATOM 417 O GLN A 28 -4.750 -10.601 -4.133 1.00 0.00 O ATOM 418 CB GLN A 28 -6.247 -12.612 -5.920 1.00 0.00 C ATOM 419 CG GLN A 28 -6.890 -12.503 -7.307 1.00 0.00 C ATOM 420 CD GLN A 28 -5.984 -13.026 -8.416 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.812 -14.230 -8.586 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.396 -12.111 -9.184 1.00 0.00 N ATOM 0 H GLN A 28 -4.383 -14.101 -6.545 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.712 -11.291 -6.622 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.290 -13.646 -5.577 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.815 -12.016 -5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.826 -13.061 -7.314 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.139 -11.461 -7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.562 -11.119 -9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.780 -12.402 -9.943 1.00 0.00 H new ATOM 431 N GLN A 29 -3.571 -12.497 -3.832 1.00 0.00 N ATOM 432 CA GLN A 29 -3.072 -12.107 -2.528 1.00 0.00 C ATOM 433 C GLN A 29 -1.767 -11.337 -2.719 1.00 0.00 C ATOM 434 O GLN A 29 -1.024 -11.600 -3.664 1.00 0.00 O ATOM 435 CB GLN A 29 -2.837 -13.369 -1.692 1.00 0.00 C ATOM 436 CG GLN A 29 -2.751 -13.028 -0.205 1.00 0.00 C ATOM 437 CD GLN A 29 -4.124 -12.989 0.448 1.00 0.00 C ATOM 438 OE1 GLN A 29 -4.578 -11.936 0.887 1.00 0.00 O ATOM 439 NE2 GLN A 29 -4.791 -14.138 0.514 1.00 0.00 N ATOM 0 H GLN A 29 -3.269 -13.421 -4.141 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.790 -11.471 -2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.647 -14.078 -1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.916 -13.856 -2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.129 -13.766 0.301 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.263 -12.061 -0.082 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.377 -14.990 0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.717 -14.167 0.942 1.00 0.00 H new ATOM 448 N VAL A 30 -1.481 -10.384 -1.834 1.00 0.00 N ATOM 449 CA VAL A 30 -0.269 -9.588 -1.913 1.00 0.00 C ATOM 450 C VAL A 30 0.265 -9.398 -0.502 1.00 0.00 C ATOM 451 O VAL A 30 -0.465 -8.923 0.369 1.00 0.00 O ATOM 452 CB VAL A 30 -0.602 -8.238 -2.559 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.666 -7.418 -2.739 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.240 -8.422 -3.938 1.00 0.00 C ATOM 0 H VAL A 30 -2.084 -10.146 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 30 0.489 -10.083 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.303 -7.728 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.418 -6.461 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.128 -7.245 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.361 -7.959 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.464 -7.446 -4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.549 -8.957 -4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.162 -8.995 -3.839 1.00 0.00 H new ATOM 464 N ARG A 31 1.531 -9.760 -0.266 1.00 0.00 N ATOM 465 CA ARG A 31 2.142 -9.582 1.044 1.00 0.00 C ATOM 466 C ARG A 31 2.755 -8.190 1.097 1.00 0.00 C ATOM 467 O ARG A 31 3.495 -7.794 0.197 1.00 0.00 O ATOM 468 CB ARG A 31 3.188 -10.668 1.313 1.00 0.00 C ATOM 469 CG ARG A 31 3.432 -10.762 2.824 1.00 0.00 C ATOM 470 CD ARG A 31 4.549 -11.741 3.192 1.00 0.00 C ATOM 471 NE ARG A 31 4.328 -13.079 2.623 1.00 0.00 N ATOM 472 CZ ARG A 31 4.110 -14.190 3.336 1.00 0.00 C ATOM 473 NH1 ARG A 31 4.021 -14.155 4.662 1.00 0.00 N ATOM 474 NH2 ARG A 31 3.976 -15.359 2.713 1.00 0.00 N ATOM 0 H ARG A 31 2.146 -10.176 -0.966 1.00 0.00 H new ATOM 0 HA ARG A 31 1.387 -9.676 1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.843 -11.627 0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.118 -10.432 0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.683 -9.773 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.510 -11.071 3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.503 -11.351 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.620 -11.817 4.277 1.00 0.00 H new ATOM 0 HE ARG A 31 4.342 -13.167 1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.119 -13.268 5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.854 -15.015 5.185 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.040 -15.405 1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.810 -16.208 3.253 1.00 0.00 H new ATOM 488 N ILE A 32 2.446 -7.446 2.160 1.00 0.00 N ATOM 489 CA ILE A 32 2.822 -6.045 2.271 1.00 0.00 C ATOM 490 C ILE A 32 3.316 -5.777 3.690 1.00 0.00 C ATOM 491 O ILE A 32 2.930 -6.485 4.615 1.00 0.00 O ATOM 492 CB ILE A 32 1.619 -5.146 1.939 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.804 -5.714 0.762 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.106 -3.733 1.615 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.351 -4.799 0.350 1.00 0.00 C ATOM 0 H ILE A 32 1.929 -7.801 2.964 1.00 0.00 H new ATOM 0 HA ILE A 32 3.619 -5.819 1.562 1.00 0.00 H new ATOM 0 HB ILE A 32 0.964 -5.112 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.464 -5.867 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.408 -6.691 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.251 -3.099 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.636 -3.324 2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.779 -3.768 0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.891 -5.248 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.029 -4.667 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.044 -3.829 0.046 1.00 0.00 H new ATOM 507 N GLY A 33 4.161 -4.760 3.856 1.00 0.00 N ATOM 508 CA GLY A 33 4.691 -4.371 5.152 1.00 0.00 C ATOM 509 C GLY A 33 4.418 -2.897 5.413 1.00 0.00 C ATOM 510 O GLY A 33 4.201 -2.120 4.483 1.00 0.00 O ATOM 0 H GLY A 33 4.496 -4.182 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.235 -4.977 5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.764 -4.561 5.186 1.00 0.00 H new ATOM 514 N ILE A 34 4.427 -2.517 6.692 1.00 0.00 N ATOM 515 CA ILE A 34 4.162 -1.157 7.132 1.00 0.00 C ATOM 516 C ILE A 34 5.159 -0.820 8.229 1.00 0.00 C ATOM 517 O ILE A 34 5.524 -1.681 9.026 1.00 0.00 O ATOM 518 CB ILE A 34 2.724 -1.038 7.662 1.00 0.00 C ATOM 519 CG1 ILE A 34 1.720 -1.503 6.602 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.435 0.407 8.078 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.276 -1.492 7.109 1.00 0.00 C ATOM 0 H ILE A 34 4.622 -3.160 7.459 1.00 0.00 H new ATOM 0 HA ILE A 34 4.268 -0.463 6.299 1.00 0.00 H new ATOM 0 HB ILE A 34 2.619 -1.681 8.536 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.798 -0.858 5.727 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.980 -2.511 6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.414 0.481 8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.131 0.706 8.862 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.554 1.064 7.217 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.391 -1.831 6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.187 -2.158 7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.002 -0.479 7.405 1.00 0.00 H new ATOM 533 N ASN A 35 5.599 0.435 8.270 1.00 0.00 N ATOM 534 CA ASN A 35 6.569 0.879 9.255 1.00 0.00 C ATOM 535 C ASN A 35 6.178 2.269 9.746 1.00 0.00 C ATOM 536 O ASN A 35 6.250 3.239 8.998 1.00 0.00 O ATOM 537 CB ASN A 35 7.959 0.863 8.610 1.00 0.00 C ATOM 538 CG ASN A 35 9.076 1.097 9.617 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.837 1.484 10.758 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.313 0.861 9.195 1.00 0.00 N ATOM 0 H ASN A 35 5.294 1.164 7.625 1.00 0.00 H new ATOM 0 HA ASN A 35 6.588 0.216 10.120 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.115 -0.096 8.117 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.005 1.630 7.837 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.102 1.000 9.826 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.474 0.540 8.240 1.00 0.00 H new ATOM 547 N ALA A 36 5.764 2.348 11.013 1.00 0.00 N ATOM 548 CA ALA A 36 5.337 3.584 11.640 1.00 0.00 C ATOM 549 C ALA A 36 5.603 3.515 13.148 1.00 0.00 C ATOM 550 O ALA A 36 5.718 2.417 13.697 1.00 0.00 O ATOM 551 CB ALA A 36 3.839 3.754 11.390 1.00 0.00 C ATOM 0 H ALA A 36 5.718 1.540 11.634 1.00 0.00 H new ATOM 0 HA ALA A 36 5.887 4.428 11.224 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.495 4.679 11.854 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.651 3.794 10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.300 2.910 11.821 1.00 0.00 H new ATOM 557 N PRO A 37 5.698 4.668 13.822 1.00 0.00 N ATOM 558 CA PRO A 37 5.821 4.729 15.266 1.00 0.00 C ATOM 559 C PRO A 37 4.556 4.189 15.931 1.00 0.00 C ATOM 560 O PRO A 37 3.474 4.251 15.347 1.00 0.00 O ATOM 561 CB PRO A 37 6.028 6.215 15.585 1.00 0.00 C ATOM 562 CG PRO A 37 5.462 6.959 14.376 1.00 0.00 C ATOM 563 CD PRO A 37 5.692 5.989 13.224 1.00 0.00 C ATOM 0 HA PRO A 37 6.645 4.121 15.639 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.510 6.498 16.501 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.083 6.444 15.732 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.404 7.187 14.504 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.975 7.907 14.212 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.905 6.077 12.475 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.636 6.196 12.720 1.00 0.00 H new ATOM 571 N LYS A 38 4.675 3.656 17.151 1.00 0.00 N ATOM 572 CA LYS A 38 3.514 3.195 17.903 1.00 0.00 C ATOM 573 C LYS A 38 2.660 4.378 18.359 1.00 0.00 C ATOM 574 O LYS A 38 1.627 4.193 18.997 1.00 0.00 O ATOM 575 CB LYS A 38 3.954 2.325 19.089 1.00 0.00 C ATOM 576 CG LYS A 38 4.602 1.023 18.601 1.00 0.00 C ATOM 577 CD LYS A 38 3.604 0.073 17.937 1.00 0.00 C ATOM 578 CE LYS A 38 3.009 -0.934 18.924 1.00 0.00 C ATOM 579 NZ LYS A 38 2.171 -0.280 19.947 1.00 0.00 N ATOM 0 H LYS A 38 5.565 3.535 17.635 1.00 0.00 H new ATOM 0 HA LYS A 38 2.897 2.579 17.249 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.660 2.878 19.709 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.093 2.095 19.716 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.395 1.261 17.893 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.070 0.517 19.446 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.799 0.654 17.486 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.101 -0.465 17.129 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.411 -1.665 18.379 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.815 -1.482 19.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.592 -0.996 20.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.780 0.199 20.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.549 0.419 19.492 1.00 0.00 H new ATOM 593 N ASP A 39 3.102 5.597 18.026 1.00 0.00 N ATOM 594 CA ASP A 39 2.324 6.811 18.215 1.00 0.00 C ATOM 595 C ASP A 39 1.119 6.821 17.273 1.00 0.00 C ATOM 596 O ASP A 39 0.249 7.682 17.388 1.00 0.00 O ATOM 597 CB ASP A 39 3.210 8.028 17.945 1.00 0.00 C ATOM 598 CG ASP A 39 4.262 8.201 19.037 1.00 0.00 C ATOM 599 OD1 ASP A 39 3.915 8.805 20.077 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.405 7.735 18.827 1.00 0.00 O ATOM 0 H ASP A 39 4.020 5.762 17.614 1.00 0.00 H new ATOM 0 HA ASP A 39 1.960 6.847 19.242 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.701 7.916 16.978 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.593 8.924 17.887 1.00 0.00 H new ATOM 605 N VAL A 40 1.074 5.861 16.343 1.00 0.00 N ATOM 606 CA VAL A 40 -0.032 5.667 15.418 1.00 0.00 C ATOM 607 C VAL A 40 -0.321 4.169 15.326 1.00 0.00 C ATOM 608 O VAL A 40 0.465 3.357 15.817 1.00 0.00 O ATOM 609 CB VAL A 40 0.282 6.267 14.042 1.00 0.00 C ATOM 610 CG1 VAL A 40 0.708 7.732 14.164 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.418 5.533 13.330 1.00 0.00 C ATOM 0 H VAL A 40 1.827 5.185 16.215 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.917 6.187 15.785 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.638 6.170 13.466 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.924 8.132 13.173 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.097 8.308 14.620 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.601 7.801 14.786 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.600 5.997 12.361 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.323 5.589 13.935 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.142 4.488 13.186 1.00 0.00 H new ATOM 621 N ALA A 41 -1.440 3.795 14.704 1.00 0.00 N ATOM 622 CA ALA A 41 -1.862 2.403 14.669 1.00 0.00 C ATOM 623 C ALA A 41 -2.113 1.933 13.239 1.00 0.00 C ATOM 624 O ALA A 41 -2.308 2.745 12.340 1.00 0.00 O ATOM 625 CB ALA A 41 -3.114 2.248 15.529 1.00 0.00 C ATOM 0 H ALA A 41 -2.066 4.439 14.220 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.066 1.776 15.070 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.441 1.208 15.511 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.889 2.540 16.555 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.907 2.884 15.136 1.00 0.00 H new ATOM 631 N VAL A 42 -2.107 0.614 13.032 1.00 0.00 N ATOM 632 CA VAL A 42 -2.303 0.025 11.716 1.00 0.00 C ATOM 633 C VAL A 42 -3.109 -1.264 11.848 1.00 0.00 C ATOM 634 O VAL A 42 -2.794 -2.110 12.678 1.00 0.00 O ATOM 635 CB VAL A 42 -0.944 -0.252 11.046 1.00 0.00 C ATOM 636 CG1 VAL A 42 -0.053 0.990 11.028 1.00 0.00 C ATOM 637 CG2 VAL A 42 -0.148 -1.351 11.756 1.00 0.00 C ATOM 0 H VAL A 42 -1.966 -0.071 13.775 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.855 0.725 11.088 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.196 -0.566 10.033 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.895 0.751 10.547 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.550 1.786 10.474 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.132 1.320 12.050 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.800 -1.504 11.241 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.043 -1.054 12.787 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.720 -2.279 11.746 1.00 0.00 H new ATOM 647 N HIS A 43 -4.154 -1.418 11.027 1.00 0.00 N ATOM 648 CA HIS A 43 -4.952 -2.639 11.014 1.00 0.00 C ATOM 649 C HIS A 43 -5.651 -2.802 9.670 1.00 0.00 C ATOM 650 O HIS A 43 -5.773 -1.837 8.914 1.00 0.00 O ATOM 651 CB HIS A 43 -6.032 -2.622 12.108 1.00 0.00 C ATOM 652 CG HIS A 43 -5.666 -1.930 13.395 1.00 0.00 C ATOM 653 ND1 HIS A 43 -5.015 -2.531 14.478 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.919 -0.620 13.690 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.894 -1.563 15.401 1.00 0.00 C ATOM 656 NE2 HIS A 43 -5.421 -0.408 14.953 1.00 0.00 N ATOM 0 H HIS A 43 -4.463 -0.708 10.363 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.266 -3.467 11.194 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.923 -2.142 11.702 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.302 -3.653 12.338 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.700 -3.498 14.551 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.412 0.104 13.057 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.436 -1.693 16.371 1.00 0.00 H new ATOM 664 N ARG A 44 -6.114 -4.020 9.369 1.00 0.00 N ATOM 665 CA ARG A 44 -6.985 -4.253 8.222 1.00 0.00 C ATOM 666 C ARG A 44 -8.238 -3.402 8.413 1.00 0.00 C ATOM 667 O ARG A 44 -8.634 -3.132 9.546 1.00 0.00 O ATOM 668 CB ARG A 44 -7.279 -5.756 8.140 1.00 0.00 C ATOM 669 CG ARG A 44 -8.529 -6.096 7.322 1.00 0.00 C ATOM 670 CD ARG A 44 -8.697 -7.616 7.277 1.00 0.00 C ATOM 671 NE ARG A 44 -10.028 -8.013 6.801 1.00 0.00 N ATOM 672 CZ ARG A 44 -10.448 -7.953 5.536 1.00 0.00 C ATOM 673 NH1 ARG A 44 -9.682 -7.445 4.580 1.00 0.00 N ATOM 674 NH2 ARG A 44 -11.656 -8.402 5.210 1.00 0.00 N ATOM 0 H ARG A 44 -5.897 -4.858 9.908 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.527 -3.963 7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.419 -6.262 7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.398 -6.149 9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.409 -5.633 7.769 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.438 -5.697 6.312 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.937 -8.045 6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.531 -8.028 8.273 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.687 -8.364 7.496 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.752 -7.091 4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.022 -7.409 3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.265 -8.794 5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.974 -8.354 4.242 1.00 0.00 H new ATOM 688 N GLU A 45 -8.870 -2.976 7.317 1.00 0.00 N ATOM 689 CA GLU A 45 -9.974 -2.027 7.399 1.00 0.00 C ATOM 690 C GLU A 45 -11.147 -2.576 8.214 1.00 0.00 C ATOM 691 O GLU A 45 -11.931 -1.802 8.756 1.00 0.00 O ATOM 692 CB GLU A 45 -10.420 -1.645 5.984 1.00 0.00 C ATOM 693 CG GLU A 45 -11.184 -0.318 6.019 1.00 0.00 C ATOM 694 CD GLU A 45 -11.814 0.014 4.669 1.00 0.00 C ATOM 695 OE1 GLU A 45 -12.698 -0.758 4.238 1.00 0.00 O ATOM 696 OE2 GLU A 45 -11.407 1.037 4.074 1.00 0.00 O ATOM 0 H GLU A 45 -8.636 -3.273 6.370 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.622 -1.138 7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.552 -1.558 5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.054 -2.429 5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.963 -0.368 6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.505 0.484 6.309 1.00 0.00 H new ATOM 703 N GLU A 46 -11.280 -3.900 8.313 1.00 0.00 N ATOM 704 CA GLU A 46 -12.313 -4.500 9.148 1.00 0.00 C ATOM 705 C GLU A 46 -11.947 -4.377 10.625 1.00 0.00 C ATOM 706 O GLU A 46 -12.783 -3.988 11.436 1.00 0.00 O ATOM 707 CB GLU A 46 -12.462 -5.982 8.810 1.00 0.00 C ATOM 708 CG GLU A 46 -13.142 -6.184 7.460 1.00 0.00 C ATOM 709 CD GLU A 46 -14.551 -5.592 7.450 1.00 0.00 C ATOM 710 OE1 GLU A 46 -15.293 -5.852 8.427 1.00 0.00 O ATOM 711 OE2 GLU A 46 -14.878 -4.889 6.469 1.00 0.00 O ATOM 0 H GLU A 46 -10.686 -4.572 7.826 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.249 -3.974 8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.479 -6.454 8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.043 -6.477 9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.544 -5.718 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.192 -7.249 7.232 1.00 0.00 H new ATOM 718 N ILE A 47 -10.701 -4.711 10.966 1.00 0.00 N ATOM 719 CA ILE A 47 -10.243 -4.705 12.351 1.00 0.00 C ATOM 720 C ILE A 47 -10.278 -3.283 12.898 1.00 0.00 C ATOM 721 O ILE A 47 -10.439 -3.069 14.097 1.00 0.00 O ATOM 722 CB ILE A 47 -8.819 -5.271 12.413 1.00 0.00 C ATOM 723 CG1 ILE A 47 -8.702 -6.599 11.654 1.00 0.00 C ATOM 724 CG2 ILE A 47 -8.375 -5.455 13.869 1.00 0.00 C ATOM 725 CD1 ILE A 47 -9.727 -7.641 12.105 1.00 0.00 C ATOM 0 H ILE A 47 -9.988 -4.991 10.293 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.899 -5.326 12.961 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.161 -4.550 11.928 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.827 -6.413 10.587 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.699 -7.002 11.792 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.362 -5.857 13.892 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.395 -4.492 14.380 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.052 -6.146 14.371 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.592 -8.557 11.530 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.587 -7.854 13.165 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.733 -7.256 11.942 1.00 0.00 H new ATOM 737 N TYR A 48 -10.127 -2.307 12.004 1.00 0.00 N ATOM 738 CA TYR A 48 -10.180 -0.898 12.342 1.00 0.00 C ATOM 739 C TYR A 48 -11.576 -0.512 12.830 1.00 0.00 C ATOM 740 O TYR A 48 -11.710 0.289 13.752 1.00 0.00 O ATOM 741 CB TYR A 48 -9.796 -0.128 11.080 1.00 0.00 C ATOM 742 CG TYR A 48 -9.783 1.375 11.199 1.00 0.00 C ATOM 743 CD1 TYR A 48 -8.822 2.014 11.992 1.00 0.00 C ATOM 744 CD2 TYR A 48 -10.735 2.134 10.501 1.00 0.00 C ATOM 745 CE1 TYR A 48 -8.780 3.416 12.050 1.00 0.00 C ATOM 746 CE2 TYR A 48 -10.689 3.531 10.541 1.00 0.00 C ATOM 747 CZ TYR A 48 -9.702 4.182 11.309 1.00 0.00 C ATOM 748 OH TYR A 48 -9.643 5.544 11.343 1.00 0.00 O ATOM 0 H TYR A 48 -9.962 -2.482 11.013 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.493 -0.662 13.155 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.805 -0.456 10.766 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.490 -0.403 10.286 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.113 1.428 12.559 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.506 1.637 9.931 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.040 3.908 12.663 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.409 4.111 9.984 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.350 5.916 10.776 1.00 0.00 H new ATOM 1601 N MET C 1 8.358 -3.205 11.700 1.00 0.00 N ATOM 1602 CA MET C 1 7.441 -3.483 10.581 1.00 0.00 C ATOM 1603 C MET C 1 6.219 -4.253 11.062 1.00 0.00 C ATOM 1604 O MET C 1 6.301 -5.000 12.031 1.00 0.00 O ATOM 1605 CB MET C 1 8.145 -4.311 9.502 1.00 0.00 C ATOM 1606 CG MET C 1 7.338 -4.433 8.212 1.00 0.00 C ATOM 1607 SD MET C 1 7.803 -3.267 6.924 1.00 0.00 S ATOM 1608 CE MET C 1 9.235 -4.227 6.392 1.00 0.00 C ATOM 0 H1 MET C 1 8.246 -2.217 12.004 1.00 0.00 H new ATOM 0 H2 MET C 1 8.138 -3.839 12.495 1.00 0.00 H new ATOM 0 H3 MET C 1 9.339 -3.363 11.393 1.00 0.00 H new ATOM 0 HA MET C 1 7.129 -2.524 10.166 1.00 0.00 H new ATOM 0 HB2 MET C 1 9.110 -3.857 9.277 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.346 -5.309 9.893 1.00 0.00 H new ATOM 0 HG2 MET C 1 7.449 -5.446 7.824 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.282 -4.295 8.445 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.701 -3.741 5.535 1.00 0.00 H new ATOM 0 HE2 MET C 1 9.955 -4.290 7.208 1.00 0.00 H new ATOM 0 HE3 MET C 1 8.916 -5.231 6.111 1.00 0.00 H new ATOM 1620 N LEU C 2 5.091 -4.067 10.376 1.00 0.00 N ATOM 1621 CA LEU C 2 3.886 -4.852 10.560 1.00 0.00 C ATOM 1622 C LEU C 2 3.494 -5.370 9.178 1.00 0.00 C ATOM 1623 O LEU C 2 3.046 -4.607 8.321 1.00 0.00 O ATOM 1624 CB LEU C 2 2.828 -3.971 11.238 1.00 0.00 C ATOM 1625 CG LEU C 2 1.497 -4.670 11.551 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.542 -4.573 10.369 1.00 0.00 C ATOM 1627 CD2 LEU C 2 1.677 -6.137 11.929 1.00 0.00 C ATOM 0 H LEU C 2 4.995 -3.346 9.661 1.00 0.00 H new ATOM 0 HA LEU C 2 4.014 -5.714 11.215 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.243 -3.583 12.168 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.627 -3.113 10.596 1.00 0.00 H new ATOM 0 HG LEU C 2 1.077 -4.150 12.412 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -0.394 -5.075 10.615 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.343 -3.525 10.147 1.00 0.00 H new ATOM 0 HD13 LEU C 2 0.992 -5.050 9.498 1.00 0.00 H new ATOM 0 HD21 LEU C 2 0.704 -6.580 12.140 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.148 -6.670 11.103 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.308 -6.210 12.815 1.00 0.00 H new ATOM 1639 N ILE C 3 3.671 -6.676 8.971 1.00 0.00 N ATOM 1640 CA ILE C 3 3.458 -7.332 7.690 1.00 0.00 C ATOM 1641 C ILE C 3 2.075 -7.976 7.667 1.00 0.00 C ATOM 1642 O ILE C 3 1.552 -8.374 8.708 1.00 0.00 O ATOM 1643 CB ILE C 3 4.559 -8.383 7.462 1.00 0.00 C ATOM 1644 CG1 ILE C 3 5.937 -7.731 7.310 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.320 -9.183 6.184 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.640 -7.541 8.649 1.00 0.00 C ATOM 0 H ILE C 3 3.972 -7.315 9.706 1.00 0.00 H new ATOM 0 HA ILE C 3 3.508 -6.598 6.885 1.00 0.00 H new ATOM 0 HB ILE C 3 4.528 -9.032 8.337 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.558 -8.348 6.661 1.00 0.00 H new ATOM 0 HG13 ILE C 3 5.826 -6.764 6.820 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.118 -9.914 6.058 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.362 -9.699 6.252 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.309 -8.507 5.329 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.612 -7.076 8.487 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.034 -6.901 9.291 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.777 -8.510 9.129 1.00 0.00 H new ATOM 1658 N LEU C 4 1.492 -8.076 6.467 1.00 0.00 N ATOM 1659 CA LEU C 4 0.163 -8.621 6.249 1.00 0.00 C ATOM 1660 C LEU C 4 0.043 -9.242 4.862 1.00 0.00 C ATOM 1661 O LEU C 4 0.986 -9.236 4.074 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.874 -7.490 6.257 1.00 0.00 C ATOM 1663 CG LEU C 4 -1.083 -6.755 7.579 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -2.145 -5.706 7.275 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.600 -7.682 8.678 1.00 0.00 C ATOM 0 H LEU C 4 1.948 -7.771 5.607 1.00 0.00 H new ATOM 0 HA LEU C 4 -0.004 -9.356 7.036 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -0.583 -6.758 5.504 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -1.832 -7.906 5.945 1.00 0.00 H new ATOM 0 HG LEU C 4 -0.143 -6.337 7.941 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -2.356 -5.130 8.176 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -1.783 -5.038 6.494 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -3.057 -6.199 6.938 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -1.733 -7.115 9.599 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.555 -8.110 8.374 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -0.881 -8.483 8.846 1.00 0.00 H new ATOM 1677 N THR C 5 -1.151 -9.771 4.581 1.00 0.00 N ATOM 1678 CA THR C 5 -1.587 -10.157 3.255 1.00 0.00 C ATOM 1679 C THR C 5 -2.975 -9.572 3.050 1.00 0.00 C ATOM 1680 O THR C 5 -3.861 -9.753 3.885 1.00 0.00 O ATOM 1681 CB THR C 5 -1.669 -11.676 3.073 1.00 0.00 C ATOM 1682 OG1 THR C 5 -2.272 -12.265 4.202 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.299 -12.303 2.814 1.00 0.00 C ATOM 0 H THR C 5 -1.855 -9.944 5.298 1.00 0.00 H new ATOM 0 HA THR C 5 -0.860 -9.786 2.532 1.00 0.00 H new ATOM 0 HB THR C 5 -2.281 -11.868 2.192 1.00 0.00 H new ATOM 0 HG1 THR C 5 -2.987 -11.682 4.533 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.409 -13.380 2.692 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.131 -11.877 1.907 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.360 -12.099 3.658 1.00 0.00 H new ATOM 1691 N ARG C 6 -3.160 -8.869 1.936 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.461 -8.364 1.534 1.00 0.00 C ATOM 1693 C ARG C 6 -4.695 -8.729 0.073 1.00 0.00 C ATOM 1694 O ARG C 6 -3.776 -8.628 -0.739 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.472 -6.846 1.726 1.00 0.00 C ATOM 1696 CG ARG C 6 -5.867 -6.225 1.704 1.00 0.00 C ATOM 1697 CD ARG C 6 -6.741 -6.723 2.860 1.00 0.00 C ATOM 1698 NE ARG C 6 -7.448 -7.962 2.513 1.00 0.00 N ATOM 1699 CZ ARG C 6 -7.438 -9.090 3.235 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -6.724 -9.182 4.353 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -8.150 -10.135 2.830 1.00 0.00 N ATOM 0 H ARG C 6 -2.408 -8.635 1.288 1.00 0.00 H new ATOM 0 HA ARG C 6 -5.257 -8.802 2.136 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.995 -6.607 2.676 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -3.869 -6.387 0.942 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -5.781 -5.140 1.758 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -6.352 -6.460 0.757 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.119 -6.893 3.739 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -7.465 -5.953 3.126 1.00 0.00 H new ATOM 0 HE ARG C 6 -7.992 -7.964 1.650 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -6.173 -8.386 4.673 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -6.728 -10.049 4.891 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -8.700 -10.076 1.973 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -8.146 -10.997 3.376 1.00 0.00 H new ATOM 1715 N LYS C 7 -5.915 -9.153 -0.276 1.00 0.00 N ATOM 1716 CA LYS C 7 -6.217 -9.457 -1.665 1.00 0.00 C ATOM 1717 C LYS C 7 -6.663 -8.208 -2.410 1.00 0.00 C ATOM 1718 O LYS C 7 -7.164 -7.253 -1.813 1.00 0.00 O ATOM 1719 CB LYS C 7 -7.296 -10.527 -1.805 1.00 0.00 C ATOM 1720 CG LYS C 7 -6.733 -11.920 -1.549 1.00 0.00 C ATOM 1721 CD LYS C 7 -7.674 -12.964 -2.148 1.00 0.00 C ATOM 1722 CE LYS C 7 -6.984 -14.322 -2.106 1.00 0.00 C ATOM 1723 NZ LYS C 7 -7.902 -15.398 -2.518 1.00 0.00 N ATOM 0 H LYS C 7 -6.689 -9.289 0.374 1.00 0.00 H new ATOM 0 HA LYS C 7 -5.294 -9.840 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -8.105 -10.325 -1.103 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -7.725 -10.484 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -5.741 -12.011 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -6.620 -12.088 -0.478 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -8.608 -12.997 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -7.927 -12.700 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -6.114 -14.311 -2.762 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -6.620 -14.517 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -7.406 -16.311 -2.480 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -8.720 -15.421 -1.876 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.229 -15.222 -3.489 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.470 -8.238 -3.730 1.00 0.00 N ATOM 1738 CA VAL C 8 -6.847 -7.144 -4.608 1.00 0.00 C ATOM 1739 C VAL C 8 -8.316 -6.789 -4.418 1.00 0.00 C ATOM 1740 O VAL C 8 -9.189 -7.656 -4.499 1.00 0.00 O ATOM 1741 CB VAL C 8 -6.518 -7.482 -6.052 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -4.994 -7.512 -6.158 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.091 -8.820 -6.519 1.00 0.00 C ATOM 0 H VAL C 8 -6.046 -9.028 -4.216 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.266 -6.260 -4.345 1.00 0.00 H new ATOM 0 HB VAL C 8 -6.972 -6.729 -6.696 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -4.705 -7.752 -7.181 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.591 -6.536 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -4.597 -8.269 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -6.814 -8.991 -7.559 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -6.691 -9.623 -5.900 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.177 -8.801 -6.431 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.594 -5.509 -4.166 1.00 0.00 N ATOM 1754 CA GLY C 9 -9.960 -5.021 -4.019 1.00 0.00 C ATOM 1755 C GLY C 9 -10.349 -4.761 -2.567 1.00 0.00 C ATOM 1756 O GLY C 9 -11.487 -4.374 -2.306 1.00 0.00 O ATOM 0 H GLY C 9 -7.881 -4.788 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.074 -4.100 -4.590 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.648 -5.749 -4.449 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.436 -4.965 -1.610 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.732 -4.722 -0.200 1.00 0.00 C ATOM 1762 C GLU C 10 -8.887 -3.571 0.351 1.00 0.00 C ATOM 1763 O GLU C 10 -8.083 -2.988 -0.375 1.00 0.00 O ATOM 1764 CB GLU C 10 -9.512 -6.003 0.608 1.00 0.00 C ATOM 1765 CG GLU C 10 -10.520 -7.083 0.212 1.00 0.00 C ATOM 1766 CD GLU C 10 -10.399 -8.276 1.151 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -11.003 -8.208 2.242 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -9.702 -9.244 0.769 1.00 0.00 O ATOM 0 H GLU C 10 -8.489 -5.297 -1.790 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.778 -4.429 -0.110 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.499 -6.370 0.445 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -9.606 -5.786 1.672 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -11.532 -6.680 0.251 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -10.342 -7.399 -0.816 1.00 0.00 H new ATOM 1775 N SER C 11 -9.069 -3.241 1.636 1.00 0.00 N ATOM 1776 CA SER C 11 -8.470 -2.051 2.225 1.00 0.00 C ATOM 1777 C SER C 11 -7.827 -2.315 3.581 1.00 0.00 C ATOM 1778 O SER C 11 -7.962 -3.393 4.160 1.00 0.00 O ATOM 1779 CB SER C 11 -9.544 -0.973 2.365 1.00 0.00 C ATOM 1780 OG SER C 11 -10.076 -0.639 1.099 1.00 0.00 O ATOM 0 H SER C 11 -9.631 -3.790 2.286 1.00 0.00 H new ATOM 0 HA SER C 11 -7.672 -1.723 1.559 1.00 0.00 H new ATOM 0 HB2 SER C 11 -10.341 -1.327 3.019 1.00 0.00 H new ATOM 0 HB3 SER C 11 -9.118 -0.085 2.833 1.00 0.00 H new ATOM 0 HG SER C 11 -9.509 0.038 0.674 1.00 0.00 H new ATOM 1786 N ILE C 12 -7.117 -1.295 4.074 1.00 0.00 N ATOM 1787 CA ILE C 12 -6.336 -1.303 5.307 1.00 0.00 C ATOM 1788 C ILE C 12 -6.400 0.118 5.871 1.00 0.00 C ATOM 1789 O ILE C 12 -6.834 1.033 5.170 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.883 -1.722 5.000 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.861 -3.051 4.227 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -4.043 -1.861 6.275 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -3.438 -3.552 3.989 1.00 0.00 C ATOM 0 H ILE C 12 -7.072 -0.396 3.595 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.728 -2.015 6.033 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.445 -0.932 4.390 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -5.422 -3.803 4.783 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -5.365 -2.921 3.269 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -3.028 -2.157 6.011 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -4.018 -0.906 6.800 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -4.486 -2.619 6.922 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -3.471 -4.493 3.440 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -2.884 -2.813 3.410 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -2.942 -3.708 4.947 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.979 0.327 7.119 1.00 0.00 N ATOM 1806 CA ASN C 13 -6.060 1.641 7.734 1.00 0.00 C ATOM 1807 C ASN C 13 -4.782 1.971 8.505 1.00 0.00 C ATOM 1808 O ASN C 13 -4.081 1.068 8.960 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.284 1.695 8.655 1.00 0.00 C ATOM 1810 CG ASN C 13 -7.775 3.126 8.811 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -7.233 3.899 9.595 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.810 3.474 8.051 1.00 0.00 N ATOM 0 H ASN C 13 -5.581 -0.397 7.717 1.00 0.00 H new ATOM 0 HA ASN C 13 -6.167 2.391 6.951 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -8.081 1.074 8.246 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -7.029 1.284 9.632 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.187 4.420 8.105 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -9.226 2.795 7.414 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.498 3.271 8.651 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.313 3.774 9.337 1.00 0.00 C ATOM 1821 C ILE C 14 -3.686 5.026 10.127 1.00 0.00 C ATOM 1822 O ILE C 14 -4.487 5.840 9.666 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.212 4.098 8.315 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.845 2.845 7.504 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -0.970 4.646 9.031 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.741 3.117 6.480 1.00 0.00 C ATOM 0 H ILE C 14 -5.099 4.011 8.288 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.936 3.014 10.021 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.588 4.857 7.630 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.520 2.057 8.184 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.732 2.476 6.989 1.00 0.00 H new ATOM 0 HG21 ILE C 14 -0.197 4.872 8.297 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.233 5.555 9.572 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.597 3.901 9.734 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.518 2.201 5.933 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -1.074 3.885 5.781 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.157 3.460 6.995 1.00 0.00 H new ATOM 1838 N GLY C 15 -3.101 5.178 11.317 1.00 0.00 N ATOM 1839 CA GLY C 15 -3.398 6.303 12.185 1.00 0.00 C ATOM 1840 C GLY C 15 -4.892 6.342 12.492 1.00 0.00 C ATOM 1841 O GLY C 15 -5.490 5.318 12.828 1.00 0.00 O ATOM 0 H GLY C 15 -2.414 4.527 11.697 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -2.830 6.219 13.111 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -3.092 7.233 11.707 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.486 7.529 12.375 1.00 0.00 N ATOM 1846 CA ASP C 16 -6.911 7.729 12.571 1.00 0.00 C ATOM 1847 C ASP C 16 -7.463 8.646 11.477 1.00 0.00 C ATOM 1848 O ASP C 16 -8.595 9.123 11.568 1.00 0.00 O ATOM 1849 CB ASP C 16 -7.152 8.339 13.956 1.00 0.00 C ATOM 1850 CG ASP C 16 -6.602 7.453 15.074 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -7.323 6.516 15.478 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -5.461 7.721 15.515 1.00 0.00 O ATOM 0 H ASP C 16 -4.982 8.384 12.139 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.427 6.771 12.511 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -6.682 9.321 14.007 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -8.221 8.490 14.105 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.658 8.893 10.438 1.00 0.00 N ATOM 1858 CA ASP C 17 -7.012 9.800 9.352 1.00 0.00 C ATOM 1859 C ASP C 17 -6.479 9.312 8.001 1.00 0.00 C ATOM 1860 O ASP C 17 -6.530 10.061 7.029 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.465 11.203 9.638 1.00 0.00 C ATOM 1862 CG ASP C 17 -7.012 11.792 10.936 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -8.137 12.339 10.898 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -6.299 11.689 11.960 1.00 0.00 O ATOM 0 H ASP C 17 -5.739 8.465 10.331 1.00 0.00 H new ATOM 0 HA ASP C 17 -8.100 9.829 9.295 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.377 11.161 9.692 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.717 11.864 8.809 1.00 0.00 H new ATOM 1869 N ILE C 18 -5.966 8.077 7.917 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.431 7.558 6.662 1.00 0.00 C ATOM 1871 C ILE C 18 -6.020 6.183 6.366 1.00 0.00 C ATOM 1872 O ILE C 18 -6.286 5.399 7.275 1.00 0.00 O ATOM 1873 CB ILE C 18 -3.892 7.483 6.714 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.254 8.836 7.038 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.349 6.990 5.369 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -2.999 8.966 8.541 1.00 0.00 C ATOM 0 H ILE C 18 -5.913 7.426 8.701 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.713 8.240 5.860 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.633 6.787 7.512 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.315 8.941 6.494 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -3.908 9.642 6.704 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.261 6.939 5.412 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.750 5.999 5.156 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.649 7.680 4.581 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.545 9.935 8.751 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -3.944 8.884 9.079 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.326 8.172 8.866 1.00 0.00 H new ATOM 1888 N THR C 19 -6.222 5.897 5.081 1.00 0.00 N ATOM 1889 CA THR C 19 -6.746 4.626 4.609 1.00 0.00 C ATOM 1890 C THR C 19 -5.947 4.210 3.380 1.00 0.00 C ATOM 1891 O THR C 19 -5.389 5.059 2.685 1.00 0.00 O ATOM 1892 CB THR C 19 -8.237 4.776 4.280 1.00 0.00 C ATOM 1893 OG1 THR C 19 -8.932 5.277 5.402 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.870 3.446 3.883 1.00 0.00 C ATOM 0 H THR C 19 -6.021 6.557 4.329 1.00 0.00 H new ATOM 0 HA THR C 19 -6.650 3.857 5.375 1.00 0.00 H new ATOM 0 HB THR C 19 -8.309 5.466 3.439 1.00 0.00 H new ATOM 0 HG1 THR C 19 -9.883 5.371 5.183 1.00 0.00 H new ATOM 0 HG21 THR C 19 -9.926 3.598 3.659 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.365 3.051 3.001 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.772 2.737 4.705 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.891 2.906 3.110 1.00 0.00 N ATOM 1903 CA ILE C 20 -5.110 2.336 2.017 1.00 0.00 C ATOM 1904 C ILE C 20 -5.968 1.285 1.319 1.00 0.00 C ATOM 1905 O ILE C 20 -6.791 0.634 1.960 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.846 1.676 2.591 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -2.986 2.654 3.406 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -3.000 1.036 1.486 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.354 3.748 2.548 1.00 0.00 C ATOM 0 H ILE C 20 -6.396 2.206 3.654 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.817 3.111 1.309 1.00 0.00 H new ATOM 0 HB ILE C 20 -4.194 0.897 3.269 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.602 3.115 4.178 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -2.199 2.099 3.916 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -2.114 0.578 1.925 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.587 0.273 0.974 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.697 1.801 0.771 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.759 4.407 3.180 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.713 3.293 1.793 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.138 4.325 2.058 1.00 0.00 H new ATOM 1921 N THR C 21 -5.777 1.113 0.009 1.00 0.00 N ATOM 1922 CA THR C 21 -6.506 0.108 -0.746 1.00 0.00 C ATOM 1923 C THR C 21 -5.593 -0.528 -1.782 1.00 0.00 C ATOM 1924 O THR C 21 -4.920 0.165 -2.542 1.00 0.00 O ATOM 1925 CB THR C 21 -7.718 0.750 -1.426 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.469 1.495 -0.487 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.638 -0.310 -2.027 1.00 0.00 C ATOM 0 H THR C 21 -5.120 1.661 -0.546 1.00 0.00 H new ATOM 0 HA THR C 21 -6.854 -0.669 -0.066 1.00 0.00 H new ATOM 0 HB THR C 21 -7.340 1.399 -2.216 1.00 0.00 H new ATOM 0 HG1 THR C 21 -9.240 1.902 -0.934 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.490 0.175 -2.503 1.00 0.00 H new ATOM 0 HG22 THR C 21 -8.089 -0.890 -2.769 1.00 0.00 H new ATOM 0 HG23 THR C 21 -8.993 -0.974 -1.238 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.575 -1.863 -1.806 1.00 0.00 N ATOM 1936 CA ILE C 22 -4.816 -2.650 -2.769 1.00 0.00 C ATOM 1937 C ILE C 22 -5.664 -2.795 -4.032 1.00 0.00 C ATOM 1938 O ILE C 22 -6.415 -3.753 -4.195 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.400 -3.983 -2.117 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -3.779 -4.988 -3.089 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.562 -4.684 -1.413 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.668 -4.365 -3.932 1.00 0.00 C ATOM 0 H ILE C 22 -6.099 -2.434 -1.142 1.00 0.00 H new ATOM 0 HA ILE C 22 -3.886 -2.166 -3.066 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.644 -3.680 -1.393 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.377 -5.832 -2.529 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.554 -5.382 -3.746 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.211 -5.617 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -5.955 -4.038 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.350 -4.898 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.258 -5.117 -4.606 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.074 -3.538 -4.514 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -1.879 -3.995 -3.278 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.541 -1.820 -4.940 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.450 -1.685 -6.072 1.00 0.00 C ATOM 1956 C LEU C 23 -6.356 -2.842 -7.062 1.00 0.00 C ATOM 1957 O LEU C 23 -7.341 -3.150 -7.732 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.182 -0.373 -6.805 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.093 0.833 -5.863 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.012 2.102 -6.694 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.315 0.961 -4.963 1.00 0.00 C ATOM 0 H LEU C 23 -4.811 -1.108 -4.907 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.459 -1.695 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.250 -0.460 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.976 -0.201 -7.532 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.211 0.688 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -5.948 2.966 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.127 2.065 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -6.902 2.186 -7.317 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.201 1.831 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.208 1.080 -5.577 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.412 0.064 -4.351 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.191 -3.487 -7.166 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.050 -4.620 -8.064 1.00 0.00 C ATOM 1975 C GLY C 24 -3.621 -5.131 -8.152 1.00 0.00 C ATOM 1976 O GLY C 24 -2.730 -4.647 -7.458 1.00 0.00 O ATOM 0 H GLY C 24 -4.348 -3.244 -6.646 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.699 -5.428 -7.726 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.390 -4.333 -9.059 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.417 -6.123 -9.023 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.141 -6.801 -9.183 1.00 0.00 C ATOM 1982 C VAL C 25 -1.895 -7.077 -10.663 1.00 0.00 C ATOM 1983 O VAL C 25 -2.830 -7.351 -11.415 1.00 0.00 O ATOM 1984 CB VAL C 25 -2.149 -8.084 -8.337 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -3.281 -9.033 -8.735 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -0.812 -8.820 -8.434 1.00 0.00 C ATOM 0 H VAL C 25 -4.146 -6.477 -9.642 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.320 -6.176 -8.831 1.00 0.00 H new ATOM 0 HB VAL C 25 -2.314 -7.769 -7.306 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -3.245 -9.925 -8.109 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.240 -8.533 -8.599 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -3.166 -9.319 -9.781 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -0.849 -9.723 -7.825 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -0.620 -9.090 -9.472 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -0.013 -8.172 -8.074 1.00 0.00 H new ATOM 1996 N SER C 26 -0.630 -7.000 -11.071 1.00 0.00 N ATOM 1997 CA SER C 26 -0.197 -7.139 -12.455 1.00 0.00 C ATOM 1998 C SER C 26 1.188 -7.778 -12.473 1.00 0.00 C ATOM 1999 O SER C 26 2.146 -7.188 -12.970 1.00 0.00 O ATOM 2000 CB SER C 26 -0.167 -5.772 -13.140 1.00 0.00 C ATOM 2001 OG SER C 26 -1.465 -5.225 -13.201 1.00 0.00 O ATOM 0 H SER C 26 0.143 -6.834 -10.427 1.00 0.00 H new ATOM 0 HA SER C 26 -0.897 -7.773 -13.000 1.00 0.00 H new ATOM 0 HB2 SER C 26 0.493 -5.099 -12.593 1.00 0.00 H new ATOM 0 HB3 SER C 26 0.241 -5.871 -14.146 1.00 0.00 H new ATOM 0 HG SER C 26 -1.431 -4.350 -13.640 1.00 0.00 H new ATOM 2007 N GLY C 27 1.293 -8.996 -11.927 1.00 0.00 N ATOM 2008 CA GLY C 27 2.567 -9.684 -11.860 1.00 0.00 C ATOM 2009 C GLY C 27 3.428 -9.045 -10.785 1.00 0.00 C ATOM 2010 O GLY C 27 2.954 -8.786 -9.680 1.00 0.00 O ATOM 0 H GLY C 27 0.510 -9.515 -11.530 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.412 -10.740 -11.637 1.00 0.00 H new ATOM 0 HA3 GLY C 27 3.072 -9.632 -12.825 1.00 0.00 H new ATOM 2014 N GLN C 28 4.698 -8.786 -11.101 1.00 0.00 N ATOM 2015 CA GLN C 28 5.602 -8.128 -10.169 1.00 0.00 C ATOM 2016 C GLN C 28 5.162 -6.694 -9.893 1.00 0.00 C ATOM 2017 O GLN C 28 5.708 -6.069 -8.986 1.00 0.00 O ATOM 2018 CB GLN C 28 7.031 -8.142 -10.723 1.00 0.00 C ATOM 2019 CG GLN C 28 7.694 -9.511 -10.533 1.00 0.00 C ATOM 2020 CD GLN C 28 6.789 -10.670 -10.937 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.645 -10.977 -12.117 1.00 0.00 O ATOM 2022 NE2 GLN C 28 6.166 -11.324 -9.953 1.00 0.00 N ATOM 0 H GLN C 28 5.120 -9.024 -11.998 1.00 0.00 H new ATOM 0 HA GLN C 28 5.576 -8.677 -9.228 1.00 0.00 H new ATOM 0 HB2 GLN C 28 7.014 -7.889 -11.783 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.624 -7.377 -10.222 1.00 0.00 H new ATOM 0 HG2 GLN C 28 8.610 -9.550 -11.122 1.00 0.00 H new ATOM 0 HG3 GLN C 28 7.981 -9.628 -9.488 1.00 0.00 H new ATOM 0 HE21 GLN C 28 6.309 -11.042 -8.983 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.548 -12.105 -10.171 1.00 0.00 H new ATOM 2031 N GLN C 29 4.193 -6.166 -10.648 1.00 0.00 N ATOM 2032 CA GLN C 29 3.708 -4.821 -10.434 1.00 0.00 C ATOM 2033 C GLN C 29 2.382 -4.871 -9.694 1.00 0.00 C ATOM 2034 O GLN C 29 1.600 -5.806 -9.850 1.00 0.00 O ATOM 2035 CB GLN C 29 3.592 -4.121 -11.790 1.00 0.00 C ATOM 2036 CG GLN C 29 3.395 -2.616 -11.605 1.00 0.00 C ATOM 2037 CD GLN C 29 3.623 -1.889 -12.918 1.00 0.00 C ATOM 2038 OE1 GLN C 29 4.761 -1.639 -13.303 1.00 0.00 O ATOM 2039 NE2 GLN C 29 2.549 -1.546 -13.616 1.00 0.00 N ATOM 0 H GLN C 29 3.735 -6.661 -11.413 1.00 0.00 H new ATOM 0 HA GLN C 29 4.401 -4.250 -9.816 1.00 0.00 H new ATOM 0 HB2 GLN C 29 4.491 -4.306 -12.378 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.754 -4.537 -12.349 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.387 -2.416 -11.241 1.00 0.00 H new ATOM 0 HG3 GLN C 29 4.086 -2.242 -10.850 1.00 0.00 H new ATOM 0 HE21 GLN C 29 1.619 -1.771 -13.264 1.00 0.00 H new ATOM 0 HE22 GLN C 29 2.653 -1.057 -14.505 1.00 0.00 H new ATOM 2048 N VAL C 30 2.132 -3.846 -8.883 1.00 0.00 N ATOM 2049 CA VAL C 30 0.939 -3.759 -8.061 1.00 0.00 C ATOM 2050 C VAL C 30 0.431 -2.328 -8.124 1.00 0.00 C ATOM 2051 O VAL C 30 1.232 -1.402 -8.235 1.00 0.00 O ATOM 2052 CB VAL C 30 1.321 -4.157 -6.625 1.00 0.00 C ATOM 2053 CG1 VAL C 30 0.110 -4.160 -5.702 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.920 -5.564 -6.595 1.00 0.00 C ATOM 0 H VAL C 30 2.760 -3.049 -8.781 1.00 0.00 H new ATOM 0 HA VAL C 30 0.151 -4.426 -8.410 1.00 0.00 H new ATOM 0 HB VAL C 30 2.047 -3.419 -6.283 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.419 -4.446 -4.697 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.330 -3.163 -5.676 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.627 -4.873 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.183 -5.826 -5.570 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.190 -6.278 -6.976 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.814 -5.592 -7.218 1.00 0.00 H new ATOM 2064 N ARG C 31 -0.889 -2.133 -8.055 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.467 -0.796 -8.069 1.00 0.00 C ATOM 2066 C ARG C 31 -2.146 -0.562 -6.730 1.00 0.00 C ATOM 2067 O ARG C 31 -2.927 -1.392 -6.260 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.434 -0.628 -9.245 1.00 0.00 C ATOM 2069 CG ARG C 31 -2.706 0.863 -9.477 1.00 0.00 C ATOM 2070 CD ARG C 31 -3.791 1.098 -10.537 1.00 0.00 C ATOM 2071 NE ARG C 31 -3.499 0.408 -11.800 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.326 1.006 -12.984 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -3.348 2.329 -13.098 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.116 0.270 -14.073 1.00 0.00 N ATOM 0 H ARG C 31 -1.573 -2.887 -7.989 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.687 -0.047 -8.210 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.010 -1.075 -10.144 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.368 -1.151 -9.039 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.012 1.325 -8.538 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.784 1.354 -9.788 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.751 0.755 -10.152 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -3.887 2.168 -10.724 1.00 0.00 H new ATOM 0 HE ARG C 31 -3.422 -0.609 -11.772 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.499 2.910 -12.273 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -3.214 2.765 -14.011 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.087 -0.747 -14.003 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -2.984 0.723 -14.977 1.00 0.00 H new ATOM 2088 N ILE C 32 -1.837 0.577 -6.112 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.229 0.849 -4.742 1.00 0.00 C ATOM 2090 C ILE C 32 -2.804 2.257 -4.657 1.00 0.00 C ATOM 2091 O ILE C 32 -2.463 3.116 -5.467 1.00 0.00 O ATOM 2092 CB ILE C 32 -1.007 0.713 -3.818 1.00 0.00 C ATOM 2093 CG1 ILE C 32 0.024 -0.297 -4.358 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.493 0.326 -2.420 1.00 0.00 C ATOM 2095 CD1 ILE C 32 1.198 -0.488 -3.398 1.00 0.00 C ATOM 0 H ILE C 32 -1.309 1.331 -6.551 1.00 0.00 H new ATOM 0 HA ILE C 32 -2.987 0.133 -4.424 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.489 1.671 -3.774 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.464 -1.257 -4.529 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.397 0.047 -5.323 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.637 0.226 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.161 1.099 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.027 -0.623 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.899 -1.208 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.704 0.466 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.829 -0.858 -2.441 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.677 2.488 -3.675 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.307 3.778 -3.460 1.00 0.00 C ATOM 2109 C GLY C 33 -4.125 4.207 -2.013 1.00 0.00 C ATOM 2110 O GLY C 33 -3.935 3.374 -1.129 1.00 0.00 O ATOM 0 H GLY C 33 -3.964 1.775 -3.005 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -3.870 4.522 -4.127 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.369 3.719 -3.700 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.188 5.516 -1.783 1.00 0.00 N ATOM 2115 CA ILE C 34 -4.005 6.103 -0.465 1.00 0.00 C ATOM 2116 C ILE C 34 -5.047 7.194 -0.295 1.00 0.00 C ATOM 2117 O ILE C 34 -5.383 7.884 -1.257 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.586 6.687 -0.352 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.537 5.611 -0.650 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.376 7.257 1.057 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.124 6.195 -0.697 1.00 0.00 C ATOM 0 H ILE C 34 -4.369 6.203 -2.515 1.00 0.00 H new ATOM 0 HA ILE C 34 -4.124 5.351 0.315 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.473 7.487 -1.084 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -1.585 4.835 0.114 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.765 5.134 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.371 7.670 1.136 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -3.107 8.043 1.244 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.501 6.463 1.793 1.00 0.00 H new ATOM 0 HD11 ILE C 34 0.591 5.401 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -0.069 6.953 -1.479 1.00 0.00 H new ATOM 0 HD13 ILE C 34 0.114 6.649 0.265 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.557 7.354 0.921 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.584 8.337 1.204 1.00 0.00 C ATOM 2135 C ASN C 35 -6.293 8.993 2.547 1.00 0.00 C ATOM 2136 O ASN C 35 -6.432 8.372 3.598 1.00 0.00 O ATOM 2137 CB ASN C 35 -7.946 7.641 1.185 1.00 0.00 C ATOM 2138 CG ASN C 35 -9.101 8.632 1.236 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -8.905 9.830 1.425 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.321 8.134 1.063 1.00 0.00 N ATOM 0 H ASN C 35 -5.269 6.806 1.732 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.594 9.123 0.449 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.029 7.035 0.283 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.016 6.961 2.034 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.132 8.752 1.085 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.446 7.134 0.908 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.885 10.261 2.495 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.487 11.037 3.655 1.00 0.00 C ATOM 2149 C ALA C 36 -5.725 12.520 3.370 1.00 0.00 C ATOM 2150 O ALA C 36 -5.834 12.913 2.206 1.00 0.00 O ATOM 2151 CB ALA C 36 -3.997 10.786 3.895 1.00 0.00 C ATOM 0 H ALA C 36 -5.823 10.784 1.621 1.00 0.00 H new ATOM 0 HA ALA C 36 -6.064 10.749 4.534 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.667 11.357 4.763 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.831 9.724 4.075 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.430 11.098 3.018 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.801 13.352 4.414 1.00 0.00 N ATOM 2158 CA PRO C 37 -5.904 14.795 4.266 1.00 0.00 C ATOM 2159 C PRO C 37 -4.633 15.352 3.635 1.00 0.00 C ATOM 2160 O PRO C 37 -3.558 14.776 3.786 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.101 15.332 5.685 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.523 14.242 6.590 1.00 0.00 C ATOM 2163 CD PRO C 37 -5.797 12.959 5.811 1.00 0.00 C ATOM 0 HA PRO C 37 -6.727 15.088 3.614 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.583 16.281 5.826 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.155 15.509 5.900 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.457 14.387 6.764 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.007 14.231 7.567 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.030 12.209 6.006 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.753 12.521 6.099 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.736 16.474 2.917 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.571 17.133 2.337 1.00 0.00 C ATOM 2173 C LYS C 38 -2.695 17.750 3.436 1.00 0.00 C ATOM 2174 O LYS C 38 -1.655 18.339 3.142 1.00 0.00 O ATOM 2175 CB LYS C 38 -4.021 18.184 1.317 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.650 17.504 0.095 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.587 16.869 -0.801 1.00 0.00 C ATOM 2178 CE LYS C 38 -3.316 17.769 -2.009 1.00 0.00 C ATOM 2179 NZ LYS C 38 -2.206 17.251 -2.833 1.00 0.00 N ATOM 0 H LYS C 38 -5.621 16.944 2.725 1.00 0.00 H new ATOM 0 HA LYS C 38 -2.964 16.393 1.816 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.741 18.861 1.776 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -3.168 18.788 1.007 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.354 16.740 0.425 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -5.220 18.236 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -2.667 16.717 -0.236 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -3.921 15.887 -1.136 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -4.217 17.844 -2.617 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -3.077 18.776 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -2.049 17.885 -3.643 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -1.340 17.203 -2.259 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -2.445 16.300 -3.179 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.118 17.612 4.693 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.334 17.981 5.860 1.00 0.00 C ATOM 2195 C ASP C 39 -1.149 17.027 6.046 1.00 0.00 C ATOM 2196 O ASP C 39 -0.312 17.240 6.924 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.229 17.932 7.097 1.00 0.00 C ATOM 2198 CG ASP C 39 -4.269 19.047 7.071 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -3.912 20.177 7.474 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -5.412 18.763 6.647 1.00 0.00 O ATOM 0 H ASP C 39 -4.035 17.232 4.927 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.943 18.989 5.718 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -3.730 16.965 7.148 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -2.618 18.022 7.995 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.076 15.978 5.220 1.00 0.00 N ATOM 2206 CA VAL C 40 0.020 15.021 5.228 1.00 0.00 C ATOM 2207 C VAL C 40 0.449 14.761 3.786 1.00 0.00 C ATOM 2208 O VAL C 40 -0.233 15.178 2.847 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.376 13.720 5.944 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -0.820 14.010 7.379 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.529 12.999 5.253 1.00 0.00 C ATOM 0 H VAL C 40 -1.789 15.773 4.520 1.00 0.00 H new ATOM 0 HA VAL C 40 0.860 15.434 5.785 1.00 0.00 H new ATOM 0 HB VAL C 40 0.511 13.086 5.923 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.096 13.077 7.870 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.002 14.479 7.925 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.679 14.681 7.366 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.768 12.087 5.800 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.404 13.649 5.231 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.240 12.745 4.233 1.00 0.00 H new ATOM 2221 N ALA C 41 1.575 14.075 3.590 1.00 0.00 N ATOM 2222 CA ALA C 41 2.130 13.886 2.262 1.00 0.00 C ATOM 2223 C ALA C 41 2.267 12.403 1.930 1.00 0.00 C ATOM 2224 O ALA C 41 2.363 11.574 2.831 1.00 0.00 O ATOM 2225 CB ALA C 41 3.482 14.597 2.194 1.00 0.00 C ATOM 0 H ALA C 41 2.117 13.643 4.339 1.00 0.00 H new ATOM 0 HA ALA C 41 1.457 14.315 1.519 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.913 14.465 1.202 1.00 0.00 H new ATOM 0 HB2 ALA C 41 3.344 15.660 2.391 1.00 0.00 H new ATOM 0 HB3 ALA C 41 4.154 14.174 2.941 1.00 0.00 H new ATOM 2231 N VAL C 42 2.282 12.081 0.632 1.00 0.00 N ATOM 2232 CA VAL C 42 2.431 10.713 0.153 1.00 0.00 C ATOM 2233 C VAL C 42 3.221 10.735 -1.157 1.00 0.00 C ATOM 2234 O VAL C 42 2.906 11.519 -2.046 1.00 0.00 O ATOM 2235 CB VAL C 42 1.052 10.053 -0.056 1.00 0.00 C ATOM 2236 CG1 VAL C 42 0.108 10.292 1.125 1.00 0.00 C ATOM 2237 CG2 VAL C 42 0.323 10.572 -1.297 1.00 0.00 C ATOM 0 H VAL C 42 2.190 12.769 -0.115 1.00 0.00 H new ATOM 0 HA VAL C 42 2.969 10.124 0.896 1.00 0.00 H new ATOM 0 HB VAL C 42 1.281 8.993 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -0.849 9.808 0.930 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.547 9.876 2.032 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.047 11.363 1.256 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -0.640 10.070 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL C 42 0.165 11.646 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.924 10.370 -2.183 1.00 0.00 H new ATOM 2247 N HIS C 43 4.243 9.882 -1.290 1.00 0.00 N ATOM 2248 CA HIS C 43 4.992 9.792 -2.541 1.00 0.00 C ATOM 2249 C HIS C 43 5.701 8.453 -2.670 1.00 0.00 C ATOM 2250 O HIS C 43 5.767 7.678 -1.716 1.00 0.00 O ATOM 2251 CB HIS C 43 6.069 10.884 -2.640 1.00 0.00 C ATOM 2252 CG HIS C 43 5.728 12.222 -2.035 1.00 0.00 C ATOM 2253 ND1 HIS C 43 5.068 13.262 -2.694 1.00 0.00 N ATOM 2254 CD2 HIS C 43 6.026 12.607 -0.758 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.973 14.246 -1.787 1.00 0.00 C ATOM 2256 NE2 HIS C 43 5.540 13.885 -0.625 1.00 0.00 N ATOM 0 H HIS C 43 4.565 9.253 -0.555 1.00 0.00 H new ATOM 0 HA HIS C 43 4.256 9.914 -3.336 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.975 10.514 -2.161 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.305 11.036 -3.693 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.731 13.271 -3.657 1.00 0.00 H new ATOM 0 HD2 HIS C 43 6.539 12.025 -0.007 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.503 15.201 -1.968 1.00 0.00 H new ATOM 2264 N ARG C 44 6.237 8.188 -3.866 1.00 0.00 N ATOM 2265 CA ARG C 44 7.108 7.046 -4.099 1.00 0.00 C ATOM 2266 C ARG C 44 8.378 7.236 -3.277 1.00 0.00 C ATOM 2267 O ARG C 44 8.788 8.367 -3.026 1.00 0.00 O ATOM 2268 CB ARG C 44 7.441 6.939 -5.587 1.00 0.00 C ATOM 2269 CG ARG C 44 6.176 6.705 -6.415 1.00 0.00 C ATOM 2270 CD ARG C 44 6.501 6.697 -7.910 1.00 0.00 C ATOM 2271 NE ARG C 44 7.399 5.591 -8.269 1.00 0.00 N ATOM 2272 CZ ARG C 44 8.623 5.743 -8.787 1.00 0.00 C ATOM 2273 NH1 ARG C 44 9.136 6.948 -9.011 1.00 0.00 N ATOM 2274 NH2 ARG C 44 9.351 4.672 -9.089 1.00 0.00 N ATOM 0 H ARG C 44 6.076 8.762 -4.694 1.00 0.00 H new ATOM 0 HA ARG C 44 6.611 6.124 -3.798 1.00 0.00 H new ATOM 0 HB2 ARG C 44 7.934 7.852 -5.920 1.00 0.00 H new ATOM 0 HB3 ARG C 44 8.143 6.121 -5.749 1.00 0.00 H new ATOM 0 HG2 ARG C 44 5.721 5.756 -6.132 1.00 0.00 H new ATOM 0 HG3 ARG C 44 5.446 7.485 -6.201 1.00 0.00 H new ATOM 0 HD2 ARG C 44 5.577 6.615 -8.482 1.00 0.00 H new ATOM 0 HD3 ARG C 44 6.964 7.645 -8.186 1.00 0.00 H new ATOM 0 HE ARG C 44 7.066 4.640 -8.112 1.00 0.00 H new ATOM 0 HH11 ARG C 44 8.594 7.783 -8.787 1.00 0.00 H new ATOM 0 HH12 ARG C 44 10.072 7.038 -9.407 1.00 0.00 H new ATOM 0 HH21 ARG C 44 8.976 3.738 -8.926 1.00 0.00 H new ATOM 0 HH22 ARG C 44 10.285 4.785 -9.484 1.00 0.00 H new ATOM 2288 N GLU C 45 9.012 6.145 -2.857 1.00 0.00 N ATOM 2289 CA GLU C 45 10.225 6.224 -2.051 1.00 0.00 C ATOM 2290 C GLU C 45 11.336 6.938 -2.819 1.00 0.00 C ATOM 2291 O GLU C 45 12.224 7.539 -2.220 1.00 0.00 O ATOM 2292 CB GLU C 45 10.626 4.805 -1.642 1.00 0.00 C ATOM 2293 CG GLU C 45 11.582 4.800 -0.451 1.00 0.00 C ATOM 2294 CD GLU C 45 13.019 5.156 -0.808 1.00 0.00 C ATOM 2295 OE1 GLU C 45 13.499 4.684 -1.866 1.00 0.00 O ATOM 2296 OE2 GLU C 45 13.634 5.904 -0.016 1.00 0.00 O ATOM 0 H GLU C 45 8.705 5.194 -3.062 1.00 0.00 H new ATOM 0 HA GLU C 45 10.045 6.811 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.732 4.234 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU C 45 11.098 4.304 -2.487 1.00 0.00 H new ATOM 0 HG2 GLU C 45 11.219 5.506 0.296 1.00 0.00 H new ATOM 0 HG3 GLU C 45 11.567 3.812 0.010 1.00 0.00 H new ATOM 2303 N GLU C 46 11.286 6.875 -4.151 1.00 0.00 N ATOM 2304 CA GLU C 46 12.258 7.536 -5.009 1.00 0.00 C ATOM 2305 C GLU C 46 12.032 9.048 -5.003 1.00 0.00 C ATOM 2306 O GLU C 46 12.989 9.817 -4.909 1.00 0.00 O ATOM 2307 CB GLU C 46 12.114 6.975 -6.428 1.00 0.00 C ATOM 2308 CG GLU C 46 13.114 7.609 -7.395 1.00 0.00 C ATOM 2309 CD GLU C 46 12.998 6.987 -8.785 1.00 0.00 C ATOM 2310 OE1 GLU C 46 11.872 6.992 -9.332 1.00 0.00 O ATOM 2311 OE2 GLU C 46 14.042 6.510 -9.292 1.00 0.00 O ATOM 0 H GLU C 46 10.567 6.362 -4.661 1.00 0.00 H new ATOM 0 HA GLU C 46 13.267 7.349 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU C 46 12.262 5.895 -6.408 1.00 0.00 H new ATOM 0 HB3 GLU C 46 11.100 7.151 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU C 46 12.936 8.683 -7.457 1.00 0.00 H new ATOM 0 HG3 GLU C 46 14.127 7.475 -7.016 1.00 0.00 H new ATOM 2318 N ILE C 47 10.771 9.481 -5.100 1.00 0.00 N ATOM 2319 CA ILE C 47 10.414 10.894 -5.087 1.00 0.00 C ATOM 2320 C ILE C 47 10.646 11.465 -3.694 1.00 0.00 C ATOM 2321 O ILE C 47 10.972 12.640 -3.545 1.00 0.00 O ATOM 2322 CB ILE C 47 8.940 11.042 -5.497 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.769 11.066 -7.020 1.00 0.00 C ATOM 2324 CG2 ILE C 47 8.333 12.344 -4.976 1.00 0.00 C ATOM 2325 CD1 ILE C 47 9.432 9.890 -7.736 1.00 0.00 C ATOM 0 H ILE C 47 9.970 8.856 -5.190 1.00 0.00 H new ATOM 0 HA ILE C 47 11.035 11.445 -5.793 1.00 0.00 H new ATOM 0 HB ILE C 47 8.436 10.178 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE C 47 7.705 11.069 -7.256 1.00 0.00 H new ATOM 0 HG13 ILE C 47 9.185 11.996 -7.408 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.291 12.410 -5.288 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.388 12.361 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.887 13.191 -5.381 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.267 9.978 -8.810 1.00 0.00 H new ATOM 0 HD12 ILE C 47 10.503 9.896 -7.532 1.00 0.00 H new ATOM 0 HD13 ILE C 47 9.000 8.956 -7.378 1.00 0.00 H new ATOM 2337 N TYR C 48 10.480 10.633 -2.665 1.00 0.00 N ATOM 2338 CA TYR C 48 10.603 11.046 -1.281 1.00 0.00 C ATOM 2339 C TYR C 48 11.990 11.612 -0.978 1.00 0.00 C ATOM 2340 O TYR C 48 12.112 12.575 -0.222 1.00 0.00 O ATOM 2341 CB TYR C 48 10.306 9.825 -0.419 1.00 0.00 C ATOM 2342 CG TYR C 48 10.311 10.065 1.069 1.00 0.00 C ATOM 2343 CD1 TYR C 48 9.267 10.790 1.664 1.00 0.00 C ATOM 2344 CD2 TYR C 48 11.351 9.552 1.856 1.00 0.00 C ATOM 2345 CE1 TYR C 48 9.244 10.973 3.050 1.00 0.00 C ATOM 2346 CE2 TYR C 48 11.326 9.712 3.246 1.00 0.00 C ATOM 2347 CZ TYR C 48 10.267 10.419 3.850 1.00 0.00 C ATOM 2348 OH TYR C 48 10.234 10.571 5.203 1.00 0.00 O ATOM 0 H TYR C 48 10.254 9.645 -2.778 1.00 0.00 H new ATOM 0 HA TYR C 48 9.898 11.850 -1.067 1.00 0.00 H new ATOM 0 HB2 TYR C 48 9.330 9.430 -0.703 1.00 0.00 H new ATOM 0 HB3 TYR C 48 11.041 9.053 -0.647 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.481 11.207 1.051 1.00 0.00 H new ATOM 0 HD2 TYR C 48 12.174 9.032 1.388 1.00 0.00 H new ATOM 0 HE1 TYR C 48 8.445 11.537 3.508 1.00 0.00 H new ATOM 0 HE2 TYR C 48 12.115 9.295 3.854 1.00 0.00 H new ATOM 0 HH TYR C 48 11.012 10.128 5.601 1.00 0.00 H new