USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0105) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 74:sc= -0.0292 USER MOD Single : A 12 ASN : amide:sc= -0.0898 K(o=-0.09,f=-8.9!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.22) USER MOD Single : A 28 SER OG : rot -6:sc= 0.399 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 59:sc= 1.31 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 1.03 K(o=1,f=-5.1!) USER MOD Single : A 63 HIS : no HD1:sc=-0.00214 X(o=-0.0021,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.416 -4.962 5.059 1.00 53.24 N ATOM 2 CA MET A 1 10.546 -4.537 3.647 1.00 65.22 C ATOM 3 C MET A 1 9.219 -4.672 2.920 1.00 30.20 C ATOM 4 O MET A 1 8.540 -5.694 3.028 1.00 70.14 O ATOM 5 CB MET A 1 11.613 -5.366 2.923 1.00 61.41 C ATOM 6 CG MET A 1 13.029 -5.075 3.379 1.00 65.24 C ATOM 7 SD MET A 1 14.259 -6.033 2.471 1.00 65.24 S ATOM 8 CE MET A 1 15.768 -5.409 3.208 1.00 72.42 C ATOM 0 H1 MET A 1 11.315 -4.798 5.555 1.00 53.24 H new ATOM 0 H2 MET A 1 9.662 -4.413 5.519 1.00 53.24 H new ATOM 0 H3 MET A 1 10.179 -5.974 5.097 1.00 53.24 H new ATOM 0 HA MET A 1 10.849 -3.490 3.644 1.00 65.22 H new ATOM 0 HB2 MET A 1 11.403 -6.425 3.076 1.00 61.41 H new ATOM 0 HB3 MET A 1 11.541 -5.178 1.852 1.00 61.41 H new ATOM 0 HG2 MET A 1 13.236 -4.012 3.254 1.00 65.24 H new ATOM 0 HG3 MET A 1 13.116 -5.293 4.443 1.00 65.24 H new ATOM 0 HE1 MET A 1 16.626 -5.903 2.753 1.00 72.42 H new ATOM 0 HE2 MET A 1 15.837 -4.334 3.040 1.00 72.42 H new ATOM 0 HE3 MET A 1 15.759 -5.609 4.279 1.00 72.42 H new ATOM 20 N ILE A 2 8.848 -3.627 2.200 1.00 54.21 N ATOM 21 CA ILE A 2 7.652 -3.650 1.375 1.00 52.21 C ATOM 22 C ILE A 2 8.021 -4.097 -0.039 1.00 61.41 C ATOM 23 O ILE A 2 9.136 -3.848 -0.497 1.00 41.31 O ATOM 24 CB ILE A 2 6.976 -2.255 1.328 1.00 1.03 C ATOM 25 CG1 ILE A 2 6.713 -1.739 2.749 1.00 21.10 C ATOM 26 CG2 ILE A 2 5.676 -2.308 0.536 1.00 65.33 C ATOM 27 CD1 ILE A 2 6.100 -0.351 2.794 1.00 74.32 C ATOM 0 H ILE A 2 9.362 -2.746 2.170 1.00 54.21 H new ATOM 0 HA ILE A 2 6.943 -4.353 1.813 1.00 52.21 H new ATOM 0 HB ILE A 2 7.655 -1.566 0.825 1.00 1.03 H new ATOM 0 HG12 ILE A 2 6.049 -2.436 3.261 1.00 21.10 H new ATOM 0 HG13 ILE A 2 7.653 -1.729 3.301 1.00 21.10 H new ATOM 0 HG21 ILE A 2 5.221 -1.318 0.517 1.00 65.33 H new ATOM 0 HG22 ILE A 2 5.884 -2.631 -0.484 1.00 65.33 H new ATOM 0 HG23 ILE A 2 4.991 -3.013 1.007 1.00 65.33 H new ATOM 0 HD11 ILE A 2 5.944 -0.056 3.832 1.00 74.32 H new ATOM 0 HD12 ILE A 2 6.772 0.359 2.312 1.00 74.32 H new ATOM 0 HD13 ILE A 2 5.144 -0.358 2.271 1.00 74.32 H new ATOM 39 N PHE A 3 7.103 -4.778 -0.711 1.00 61.12 N ATOM 40 CA PHE A 3 7.348 -5.262 -2.061 1.00 31.20 C ATOM 41 C PHE A 3 6.276 -4.748 -3.019 1.00 12.43 C ATOM 42 O PHE A 3 5.124 -4.557 -2.623 1.00 12.31 O ATOM 43 CB PHE A 3 7.377 -6.795 -2.081 1.00 74.33 C ATOM 44 CG PHE A 3 8.452 -7.390 -1.216 1.00 62.14 C ATOM 45 CD1 PHE A 3 9.754 -7.495 -1.681 1.00 2.41 C ATOM 46 CD2 PHE A 3 8.162 -7.844 0.060 1.00 74.50 C ATOM 47 CE1 PHE A 3 10.745 -8.043 -0.890 1.00 0.12 C ATOM 48 CE2 PHE A 3 9.148 -8.393 0.857 1.00 22.34 C ATOM 49 CZ PHE A 3 10.441 -8.493 0.381 1.00 14.05 C ATOM 0 H PHE A 3 6.180 -5.008 -0.342 1.00 61.12 H new ATOM 0 HA PHE A 3 8.317 -4.886 -2.388 1.00 31.20 H new ATOM 0 HB2 PHE A 3 6.408 -7.172 -1.753 1.00 74.33 H new ATOM 0 HB3 PHE A 3 7.520 -7.134 -3.107 1.00 74.33 H new ATOM 0 HD1 PHE A 3 9.996 -7.144 -2.673 1.00 2.41 H new ATOM 0 HD2 PHE A 3 7.153 -7.768 0.437 1.00 74.50 H new ATOM 0 HE1 PHE A 3 11.755 -8.120 -1.264 1.00 0.12 H new ATOM 0 HE2 PHE A 3 8.908 -8.743 1.850 1.00 22.34 H new ATOM 0 HZ PHE A 3 11.214 -8.922 1.001 1.00 14.05 H new ATOM 59 N PRO A 4 6.649 -4.489 -4.283 1.00 41.33 N ATOM 60 CA PRO A 4 5.701 -4.071 -5.320 1.00 52.43 C ATOM 61 C PRO A 4 4.559 -5.067 -5.481 1.00 23.44 C ATOM 62 O PRO A 4 4.784 -6.266 -5.658 1.00 23.33 O ATOM 63 CB PRO A 4 6.552 -4.017 -6.592 1.00 75.55 C ATOM 64 CG PRO A 4 7.946 -3.828 -6.105 1.00 72.14 C ATOM 65 CD PRO A 4 8.027 -4.567 -4.797 1.00 22.44 C ATOM 0 HA PRO A 4 5.225 -3.121 -5.079 1.00 52.43 H new ATOM 0 HB2 PRO A 4 6.456 -4.935 -7.172 1.00 75.55 H new ATOM 0 HB3 PRO A 4 6.244 -3.197 -7.240 1.00 75.55 H new ATOM 0 HG2 PRO A 4 8.667 -4.221 -6.822 1.00 72.14 H new ATOM 0 HG3 PRO A 4 8.174 -2.770 -5.971 1.00 72.14 H new ATOM 0 HD2 PRO A 4 8.347 -5.599 -4.937 1.00 22.44 H new ATOM 0 HD3 PRO A 4 8.739 -4.102 -4.115 1.00 22.44 H new ATOM 73 N GLY A 5 3.337 -4.561 -5.422 1.00 14.44 N ATOM 74 CA GLY A 5 2.173 -5.421 -5.491 1.00 40.12 C ATOM 75 C GLY A 5 1.498 -5.580 -4.143 1.00 22.33 C ATOM 76 O GLY A 5 0.504 -6.297 -4.017 1.00 54.22 O ATOM 0 H GLY A 5 3.129 -3.567 -5.327 1.00 14.44 H new ATOM 0 HA2 GLY A 5 1.461 -5.009 -6.206 1.00 40.12 H new ATOM 0 HA3 GLY A 5 2.469 -6.401 -5.865 1.00 40.12 H new ATOM 80 N ALA A 6 2.048 -4.926 -3.129 1.00 64.33 N ATOM 81 CA ALA A 6 1.467 -4.957 -1.797 1.00 40.04 C ATOM 82 C ALA A 6 0.536 -3.775 -1.596 1.00 43.41 C ATOM 83 O ALA A 6 0.861 -2.646 -1.976 1.00 40.41 O ATOM 84 CB ALA A 6 2.558 -4.954 -0.738 1.00 51.31 C ATOM 0 H ALA A 6 2.898 -4.367 -3.205 1.00 64.33 H new ATOM 0 HA ALA A 6 0.890 -5.876 -1.697 1.00 40.04 H new ATOM 0 HB1 ALA A 6 2.104 -4.977 0.253 1.00 51.31 H new ATOM 0 HB2 ALA A 6 3.193 -5.831 -0.867 1.00 51.31 H new ATOM 0 HB3 ALA A 6 3.161 -4.052 -0.839 1.00 51.31 H new ATOM 90 N THR A 7 -0.624 -4.037 -1.024 1.00 14.03 N ATOM 91 CA THR A 7 -1.565 -2.986 -0.707 1.00 42.12 C ATOM 92 C THR A 7 -1.189 -2.348 0.626 1.00 33.35 C ATOM 93 O THR A 7 -1.042 -3.036 1.638 1.00 44.11 O ATOM 94 CB THR A 7 -2.997 -3.530 -0.626 1.00 3.23 C ATOM 95 OG1 THR A 7 -3.225 -4.466 -1.688 1.00 32.44 O ATOM 96 CG2 THR A 7 -4.009 -2.401 -0.723 1.00 15.42 C ATOM 0 H THR A 7 -0.936 -4.974 -0.769 1.00 14.03 H new ATOM 0 HA THR A 7 -1.524 -2.241 -1.502 1.00 42.12 H new ATOM 0 HB THR A 7 -3.119 -4.029 0.335 1.00 3.23 H new ATOM 0 HG1 THR A 7 -4.141 -4.811 -1.629 1.00 32.44 H new ATOM 0 HG21 THR A 7 -5.017 -2.810 -0.663 1.00 15.42 H new ATOM 0 HG22 THR A 7 -3.852 -1.701 0.097 1.00 15.42 H new ATOM 0 HG23 THR A 7 -3.884 -1.881 -1.673 1.00 15.42 H new ATOM 104 N VAL A 8 -1.016 -1.042 0.618 1.00 53.14 N ATOM 105 CA VAL A 8 -0.620 -0.317 1.811 1.00 32.33 C ATOM 106 C VAL A 8 -1.638 0.758 2.159 1.00 44.32 C ATOM 107 O VAL A 8 -2.217 1.393 1.276 1.00 45.41 O ATOM 108 CB VAL A 8 0.774 0.330 1.658 1.00 62.42 C ATOM 109 CG1 VAL A 8 1.855 -0.740 1.611 1.00 5.14 C ATOM 110 CG2 VAL A 8 0.826 1.211 0.413 1.00 71.33 C ATOM 0 H VAL A 8 -1.144 -0.456 -0.207 1.00 53.14 H new ATOM 0 HA VAL A 8 -0.574 -1.047 2.619 1.00 32.33 H new ATOM 0 HB VAL A 8 0.958 0.963 2.526 1.00 62.42 H new ATOM 0 HG11 VAL A 8 2.831 -0.267 1.503 1.00 5.14 H new ATOM 0 HG12 VAL A 8 1.833 -1.320 2.534 1.00 5.14 H new ATOM 0 HG13 VAL A 8 1.676 -1.401 0.763 1.00 5.14 H new ATOM 0 HG21 VAL A 8 1.817 1.657 0.324 1.00 71.33 H new ATOM 0 HG22 VAL A 8 0.620 0.606 -0.470 1.00 71.33 H new ATOM 0 HG23 VAL A 8 0.079 2.000 0.494 1.00 71.33 H new ATOM 120 N ARG A 9 -1.856 0.954 3.447 1.00 41.42 N ATOM 121 CA ARG A 9 -2.786 1.963 3.916 1.00 23.12 C ATOM 122 C ARG A 9 -2.023 3.215 4.321 1.00 71.50 C ATOM 123 O ARG A 9 -1.054 3.133 5.080 1.00 65.41 O ATOM 124 CB ARG A 9 -3.581 1.442 5.111 1.00 13.00 C ATOM 125 CG ARG A 9 -4.648 2.409 5.597 1.00 30.10 C ATOM 126 CD ARG A 9 -4.890 2.252 7.087 1.00 71.34 C ATOM 127 NE ARG A 9 -3.694 2.595 7.858 1.00 72.41 N ATOM 128 CZ ARG A 9 -3.604 2.499 9.182 1.00 12.23 C ATOM 129 NH1 ARG A 9 -4.626 2.041 9.893 1.00 43.44 N ATOM 130 NH2 ARG A 9 -2.480 2.848 9.792 1.00 4.42 N ATOM 0 H ARG A 9 -1.399 0.424 4.189 1.00 41.42 H new ATOM 0 HA ARG A 9 -3.479 2.201 3.109 1.00 23.12 H new ATOM 0 HB2 ARG A 9 -4.054 0.498 4.839 1.00 13.00 H new ATOM 0 HB3 ARG A 9 -2.894 1.230 5.930 1.00 13.00 H new ATOM 0 HG2 ARG A 9 -4.341 3.432 5.381 1.00 30.10 H new ATOM 0 HG3 ARG A 9 -5.577 2.233 5.054 1.00 30.10 H new ATOM 0 HD2 ARG A 9 -5.718 2.891 7.393 1.00 71.34 H new ATOM 0 HD3 ARG A 9 -5.183 1.225 7.304 1.00 71.34 H new ATOM 0 HE ARG A 9 -2.877 2.929 7.347 1.00 72.41 H new ATOM 0 HH11 ARG A 9 -5.488 1.760 9.425 1.00 43.44 H new ATOM 0 HH12 ARG A 9 -4.550 1.970 10.908 1.00 43.44 H new ATOM 0 HH21 ARG A 9 -1.688 3.189 9.247 1.00 4.42 H new ATOM 0 HH22 ARG A 9 -2.407 2.776 10.807 1.00 4.42 H new ATOM 144 N VAL A 10 -2.448 4.363 3.819 1.00 31.41 N ATOM 145 CA VAL A 10 -1.812 5.623 4.167 1.00 52.11 C ATOM 146 C VAL A 10 -1.942 5.879 5.665 1.00 50.33 C ATOM 147 O VAL A 10 -3.049 5.923 6.201 1.00 73.11 O ATOM 148 CB VAL A 10 -2.424 6.803 3.388 1.00 74.45 C ATOM 149 CG1 VAL A 10 -1.715 8.104 3.730 1.00 3.20 C ATOM 150 CG2 VAL A 10 -2.363 6.541 1.891 1.00 2.21 C ATOM 0 H VAL A 10 -3.230 4.448 3.170 1.00 31.41 H new ATOM 0 HA VAL A 10 -0.759 5.546 3.896 1.00 52.11 H new ATOM 0 HB VAL A 10 -3.469 6.899 3.682 1.00 74.45 H new ATOM 0 HG11 VAL A 10 -2.165 8.922 3.168 1.00 3.20 H new ATOM 0 HG12 VAL A 10 -1.812 8.301 4.798 1.00 3.20 H new ATOM 0 HG13 VAL A 10 -0.660 8.022 3.470 1.00 3.20 H new ATOM 0 HG21 VAL A 10 -2.799 7.384 1.356 1.00 2.21 H new ATOM 0 HG22 VAL A 10 -1.324 6.416 1.586 1.00 2.21 H new ATOM 0 HG23 VAL A 10 -2.922 5.635 1.657 1.00 2.21 H new ATOM 160 N THR A 11 -0.809 6.015 6.335 1.00 24.32 N ATOM 161 CA THR A 11 -0.791 6.220 7.772 1.00 21.10 C ATOM 162 C THR A 11 -0.196 7.587 8.105 1.00 20.31 C ATOM 163 O THR A 11 0.054 7.918 9.263 1.00 55.23 O ATOM 164 CB THR A 11 0.000 5.090 8.458 1.00 51.23 C ATOM 165 OG1 THR A 11 -0.470 3.832 7.954 1.00 0.02 O ATOM 166 CG2 THR A 11 -0.165 5.118 9.971 1.00 22.51 C ATOM 0 H THR A 11 0.114 5.987 5.903 1.00 24.32 H new ATOM 0 HA THR A 11 -1.814 6.197 8.147 1.00 21.10 H new ATOM 0 HB THR A 11 1.058 5.229 8.238 1.00 51.23 H new ATOM 0 HG1 THR A 11 -0.137 3.700 7.042 1.00 0.02 H new ATOM 0 HG21 THR A 11 0.409 4.305 10.415 1.00 22.51 H new ATOM 0 HG22 THR A 11 0.196 6.071 10.359 1.00 22.51 H new ATOM 0 HG23 THR A 11 -1.218 4.999 10.224 1.00 22.51 H new ATOM 174 N ASN A 12 0.017 8.393 7.077 1.00 35.41 N ATOM 175 CA ASN A 12 0.472 9.760 7.283 1.00 3.01 C ATOM 176 C ASN A 12 -0.694 10.591 7.804 1.00 60.55 C ATOM 177 O ASN A 12 -1.619 10.907 7.062 1.00 14.41 O ATOM 178 CB ASN A 12 1.030 10.361 5.985 1.00 33.41 C ATOM 179 CG ASN A 12 1.673 11.726 6.196 1.00 20.30 C ATOM 180 OD1 ASN A 12 1.262 12.497 7.064 1.00 74.41 O ATOM 181 ND2 ASN A 12 2.691 12.033 5.406 1.00 22.52 N ATOM 0 H ASN A 12 -0.116 8.129 6.101 1.00 35.41 H new ATOM 0 HA ASN A 12 1.281 9.763 8.013 1.00 3.01 H new ATOM 0 HB2 ASN A 12 1.767 9.679 5.561 1.00 33.41 H new ATOM 0 HB3 ASN A 12 0.224 10.452 5.256 1.00 33.41 H new ATOM 0 HD21 ASN A 12 3.161 12.933 5.506 1.00 22.52 H new ATOM 0 HD22 ASN A 12 3.005 11.370 4.698 1.00 22.52 H new ATOM 188 N VAL A 13 -0.642 10.928 9.087 1.00 14.43 N ATOM 189 CA VAL A 13 -1.721 11.614 9.759 1.00 22.40 C ATOM 190 C VAL A 13 -1.997 13.003 9.176 1.00 44.14 C ATOM 191 O VAL A 13 -3.096 13.536 9.327 1.00 1.13 O ATOM 192 CB VAL A 13 -1.395 11.730 11.254 1.00 75.41 C ATOM 193 CG1 VAL A 13 -1.476 10.368 11.929 1.00 14.42 C ATOM 194 CG2 VAL A 13 -0.018 12.344 11.459 1.00 13.34 C ATOM 0 H VAL A 13 0.158 10.729 9.688 1.00 14.43 H new ATOM 0 HA VAL A 13 -2.626 11.025 9.610 1.00 22.40 H new ATOM 0 HB VAL A 13 -2.135 12.386 11.712 1.00 75.41 H new ATOM 0 HG11 VAL A 13 -1.241 10.472 12.988 1.00 14.42 H new ATOM 0 HG12 VAL A 13 -2.483 9.966 11.818 1.00 14.42 H new ATOM 0 HG13 VAL A 13 -0.761 9.689 11.464 1.00 14.42 H new ATOM 0 HG21 VAL A 13 0.193 12.417 12.526 1.00 13.34 H new ATOM 0 HG22 VAL A 13 0.735 11.716 10.983 1.00 13.34 H new ATOM 0 HG23 VAL A 13 0.006 13.339 11.016 1.00 13.34 H new ATOM 204 N ASP A 14 -1.011 13.577 8.501 1.00 54.21 N ATOM 205 CA ASP A 14 -1.162 14.906 7.919 1.00 51.05 C ATOM 206 C ASP A 14 -1.792 14.817 6.536 1.00 24.21 C ATOM 207 O ASP A 14 -2.557 15.693 6.129 1.00 42.33 O ATOM 208 CB ASP A 14 0.196 15.606 7.820 1.00 40.11 C ATOM 209 CG ASP A 14 0.097 16.991 7.208 1.00 61.12 C ATOM 210 OD1 ASP A 14 -0.143 17.964 7.955 1.00 51.15 O ATOM 211 OD2 ASP A 14 0.267 17.117 5.978 1.00 72.31 O ATOM 0 H ASP A 14 -0.100 13.146 8.342 1.00 54.21 H new ATOM 0 HA ASP A 14 -1.816 15.487 8.570 1.00 51.05 H new ATOM 0 HB2 ASP A 14 0.634 15.683 8.815 1.00 40.11 H new ATOM 0 HB3 ASP A 14 0.872 14.996 7.221 1.00 40.11 H new ATOM 216 N ASP A 15 -1.497 13.726 5.839 1.00 63.14 N ATOM 217 CA ASP A 15 -1.889 13.568 4.441 1.00 14.33 C ATOM 218 C ASP A 15 -3.410 13.506 4.280 1.00 31.32 C ATOM 219 O ASP A 15 -4.140 13.186 5.222 1.00 45.41 O ATOM 220 CB ASP A 15 -1.242 12.317 3.841 1.00 22.12 C ATOM 221 CG ASP A 15 -1.611 12.130 2.385 1.00 33.42 C ATOM 222 OD1 ASP A 15 -1.295 13.025 1.574 1.00 70.34 O ATOM 223 OD2 ASP A 15 -2.256 11.119 2.063 1.00 32.53 O ATOM 0 H ASP A 15 -0.984 12.932 6.221 1.00 63.14 H new ATOM 0 HA ASP A 15 -1.534 14.446 3.902 1.00 14.33 H new ATOM 0 HB2 ASP A 15 -0.158 12.389 3.934 1.00 22.12 H new ATOM 0 HB3 ASP A 15 -1.553 11.440 4.409 1.00 22.12 H new ATOM 228 N THR A 16 -3.869 13.813 3.073 1.00 63.25 N ATOM 229 CA THR A 16 -5.289 13.881 2.770 1.00 63.24 C ATOM 230 C THR A 16 -5.868 12.488 2.504 1.00 24.12 C ATOM 231 O THR A 16 -7.065 12.252 2.687 1.00 51.33 O ATOM 232 CB THR A 16 -5.526 14.778 1.538 1.00 10.02 C ATOM 233 OG1 THR A 16 -4.747 15.979 1.658 1.00 43.04 O ATOM 234 CG2 THR A 16 -6.997 15.143 1.402 1.00 41.21 C ATOM 0 H THR A 16 -3.265 14.022 2.278 1.00 63.25 H new ATOM 0 HA THR A 16 -5.794 14.306 3.637 1.00 63.24 H new ATOM 0 HB THR A 16 -5.223 14.224 0.650 1.00 10.02 H new ATOM 0 HG1 THR A 16 -4.898 16.547 0.873 1.00 43.04 H new ATOM 0 HG21 THR A 16 -7.135 15.776 0.525 1.00 41.21 H new ATOM 0 HG22 THR A 16 -7.589 14.234 1.291 1.00 41.21 H new ATOM 0 HG23 THR A 16 -7.322 15.681 2.293 1.00 41.21 H new ATOM 242 N TYR A 17 -5.010 11.560 2.097 1.00 74.24 N ATOM 243 CA TYR A 17 -5.446 10.217 1.736 1.00 31.54 C ATOM 244 C TYR A 17 -5.360 9.283 2.939 1.00 65.52 C ATOM 245 O TYR A 17 -5.336 8.059 2.786 1.00 21.44 O ATOM 246 CB TYR A 17 -4.591 9.658 0.590 1.00 62.33 C ATOM 247 CG TYR A 17 -4.527 10.546 -0.639 1.00 55.25 C ATOM 248 CD1 TYR A 17 -3.543 11.523 -0.759 1.00 61.45 C ATOM 249 CD2 TYR A 17 -5.440 10.405 -1.679 1.00 35.33 C ATOM 250 CE1 TYR A 17 -3.471 12.331 -1.876 1.00 41.34 C ATOM 251 CE2 TYR A 17 -5.371 11.211 -2.803 1.00 61.42 C ATOM 252 CZ TYR A 17 -4.384 12.174 -2.895 1.00 44.14 C ATOM 253 OH TYR A 17 -4.310 12.982 -4.009 1.00 61.32 O ATOM 0 H TYR A 17 -4.006 11.714 2.009 1.00 74.24 H new ATOM 0 HA TYR A 17 -6.483 10.279 1.407 1.00 31.54 H new ATOM 0 HB2 TYR A 17 -3.578 9.493 0.957 1.00 62.33 H new ATOM 0 HB3 TYR A 17 -4.987 8.685 0.299 1.00 62.33 H new ATOM 0 HD1 TYR A 17 -2.823 11.651 0.036 1.00 61.45 H new ATOM 0 HD2 TYR A 17 -6.214 9.656 -1.609 1.00 35.33 H new ATOM 0 HE1 TYR A 17 -2.701 13.084 -1.951 1.00 41.34 H new ATOM 0 HE2 TYR A 17 -6.085 11.088 -3.604 1.00 61.42 H new ATOM 0 HH TYR A 17 -5.025 12.743 -4.635 1.00 61.32 H new ATOM 263 N TYR A 18 -5.353 9.870 4.131 1.00 74.51 N ATOM 264 CA TYR A 18 -5.204 9.119 5.376 1.00 5.02 C ATOM 265 C TYR A 18 -6.456 8.288 5.678 1.00 65.44 C ATOM 266 O TYR A 18 -7.288 8.674 6.498 1.00 3.20 O ATOM 267 CB TYR A 18 -4.891 10.079 6.533 1.00 23.33 C ATOM 268 CG TYR A 18 -4.708 9.404 7.876 1.00 72.43 C ATOM 269 CD1 TYR A 18 -3.740 8.425 8.061 1.00 73.51 C ATOM 270 CD2 TYR A 18 -5.511 9.744 8.956 1.00 42.35 C ATOM 271 CE1 TYR A 18 -3.578 7.805 9.286 1.00 40.05 C ATOM 272 CE2 TYR A 18 -5.355 9.128 10.183 1.00 20.33 C ATOM 273 CZ TYR A 18 -4.388 8.160 10.342 1.00 20.32 C ATOM 274 OH TYR A 18 -4.232 7.542 11.564 1.00 43.22 O ATOM 0 H TYR A 18 -5.450 10.877 4.263 1.00 74.51 H new ATOM 0 HA TYR A 18 -4.372 8.424 5.261 1.00 5.02 H new ATOM 0 HB2 TYR A 18 -3.984 10.634 6.293 1.00 23.33 H new ATOM 0 HB3 TYR A 18 -5.698 10.807 6.613 1.00 23.33 H new ATOM 0 HD1 TYR A 18 -3.104 8.144 7.235 1.00 73.51 H new ATOM 0 HD2 TYR A 18 -6.270 10.503 8.835 1.00 42.35 H new ATOM 0 HE1 TYR A 18 -2.820 7.046 9.414 1.00 40.05 H new ATOM 0 HE2 TYR A 18 -5.988 9.404 11.013 1.00 20.33 H new ATOM 0 HH TYR A 18 -4.881 7.908 12.201 1.00 43.22 H new ATOM 284 N ARG A 19 -6.571 7.162 4.970 1.00 10.23 N ATOM 285 CA ARG A 19 -7.652 6.184 5.131 1.00 62.34 C ATOM 286 C ARG A 19 -7.673 5.276 3.908 1.00 32.42 C ATOM 287 O ARG A 19 -8.180 4.153 3.952 1.00 70.41 O ATOM 288 CB ARG A 19 -9.032 6.846 5.296 1.00 20.23 C ATOM 289 CG ARG A 19 -9.578 7.479 4.028 1.00 13.23 C ATOM 290 CD ARG A 19 -10.875 8.227 4.290 1.00 41.44 C ATOM 291 NE ARG A 19 -10.655 9.428 5.089 1.00 74.51 N ATOM 292 CZ ARG A 19 -10.841 10.665 4.632 1.00 34.34 C ATOM 293 NH1 ARG A 19 -11.316 10.858 3.406 1.00 4.03 N ATOM 294 NH2 ARG A 19 -10.572 11.705 5.410 1.00 51.41 N ATOM 0 H ARG A 19 -5.898 6.898 4.250 1.00 10.23 H new ATOM 0 HA ARG A 19 -7.456 5.618 6.042 1.00 62.34 H new ATOM 0 HB2 ARG A 19 -9.741 6.097 5.649 1.00 20.23 H new ATOM 0 HB3 ARG A 19 -8.965 7.611 6.070 1.00 20.23 H new ATOM 0 HG2 ARG A 19 -8.838 8.165 3.616 1.00 13.23 H new ATOM 0 HG3 ARG A 19 -9.748 6.706 3.279 1.00 13.23 H new ATOM 0 HD2 ARG A 19 -11.335 8.501 3.341 1.00 41.44 H new ATOM 0 HD3 ARG A 19 -11.576 7.570 4.806 1.00 41.44 H new ATOM 0 HE ARG A 19 -10.341 9.314 6.053 1.00 74.51 H new ATOM 0 HH11 ARG A 19 -11.539 10.058 2.814 1.00 4.03 H new ATOM 0 HH12 ARG A 19 -11.458 11.806 3.057 1.00 4.03 H new ATOM 0 HH21 ARG A 19 -10.223 11.557 6.357 1.00 51.41 H new ATOM 0 HH22 ARG A 19 -10.714 12.653 5.061 1.00 51.41 H new ATOM 308 N PHE A 20 -7.111 5.782 2.813 1.00 51.44 N ATOM 309 CA PHE A 20 -7.078 5.056 1.554 1.00 74.45 C ATOM 310 C PHE A 20 -5.997 3.988 1.563 1.00 65.25 C ATOM 311 O PHE A 20 -5.006 4.084 2.296 1.00 43.44 O ATOM 312 CB PHE A 20 -6.832 6.015 0.385 1.00 11.33 C ATOM 313 CG PHE A 20 -7.975 6.950 0.098 1.00 50.30 C ATOM 314 CD1 PHE A 20 -8.048 8.189 0.713 1.00 34.44 C ATOM 315 CD2 PHE A 20 -8.970 6.592 -0.798 1.00 65.41 C ATOM 316 CE1 PHE A 20 -9.090 9.055 0.440 1.00 42.24 C ATOM 317 CE2 PHE A 20 -10.015 7.452 -1.074 1.00 13.23 C ATOM 318 CZ PHE A 20 -10.075 8.686 -0.454 1.00 54.00 C ATOM 0 H PHE A 20 -6.669 6.701 2.777 1.00 51.44 H new ATOM 0 HA PHE A 20 -8.047 4.574 1.430 1.00 74.45 H new ATOM 0 HB2 PHE A 20 -5.940 6.605 0.596 1.00 11.33 H new ATOM 0 HB3 PHE A 20 -6.623 5.430 -0.511 1.00 11.33 H new ATOM 0 HD1 PHE A 20 -7.281 8.482 1.415 1.00 34.44 H new ATOM 0 HD2 PHE A 20 -8.928 5.629 -1.286 1.00 65.41 H new ATOM 0 HE1 PHE A 20 -9.134 10.019 0.925 1.00 42.24 H new ATOM 0 HE2 PHE A 20 -10.784 7.161 -1.774 1.00 13.23 H new ATOM 0 HZ PHE A 20 -10.891 9.360 -0.669 1.00 54.00 H new ATOM 328 N GLU A 21 -6.204 2.971 0.745 1.00 51.13 N ATOM 329 CA GLU A 21 -5.248 1.891 0.591 1.00 30.54 C ATOM 330 C GLU A 21 -4.886 1.746 -0.879 1.00 4.21 C ATOM 331 O GLU A 21 -5.767 1.651 -1.735 1.00 63.51 O ATOM 332 CB GLU A 21 -5.839 0.588 1.132 1.00 55.04 C ATOM 333 CG GLU A 21 -6.246 0.675 2.593 1.00 62.33 C ATOM 334 CD GLU A 21 -7.104 -0.490 3.027 1.00 11.13 C ATOM 335 OE1 GLU A 21 -8.314 -0.491 2.708 1.00 3.21 O ATOM 336 OE2 GLU A 21 -6.584 -1.409 3.685 1.00 4.10 O ATOM 0 H GLU A 21 -7.040 2.872 0.169 1.00 51.13 H new ATOM 0 HA GLU A 21 -4.345 2.118 1.158 1.00 30.54 H new ATOM 0 HB2 GLU A 21 -6.709 0.316 0.535 1.00 55.04 H new ATOM 0 HB3 GLU A 21 -5.108 -0.212 1.012 1.00 55.04 H new ATOM 0 HG2 GLU A 21 -5.351 0.714 3.214 1.00 62.33 H new ATOM 0 HG3 GLU A 21 -6.790 1.604 2.760 1.00 62.33 H new ATOM 343 N GLY A 22 -3.597 1.747 -1.170 1.00 73.41 N ATOM 344 CA GLY A 22 -3.154 1.680 -2.546 1.00 32.12 C ATOM 345 C GLY A 22 -2.110 0.608 -2.759 1.00 11.32 C ATOM 346 O GLY A 22 -1.574 0.061 -1.798 1.00 11.22 O ATOM 0 H GLY A 22 -2.848 1.793 -0.479 1.00 73.41 H new ATOM 0 HA2 GLY A 22 -4.010 1.485 -3.192 1.00 32.12 H new ATOM 0 HA3 GLY A 22 -2.745 2.646 -2.842 1.00 32.12 H new ATOM 350 N LEU A 23 -1.820 0.305 -4.015 1.00 22.12 N ATOM 351 CA LEU A 23 -0.867 -0.735 -4.344 1.00 61.20 C ATOM 352 C LEU A 23 0.504 -0.135 -4.610 1.00 72.24 C ATOM 353 O LEU A 23 0.642 0.778 -5.424 1.00 71.41 O ATOM 354 CB LEU A 23 -1.336 -1.519 -5.573 1.00 73.50 C ATOM 355 CG LEU A 23 -2.459 -2.535 -5.332 1.00 42.00 C ATOM 356 CD1 LEU A 23 -3.783 -1.839 -5.062 1.00 14.42 C ATOM 357 CD2 LEU A 23 -2.585 -3.472 -6.520 1.00 42.10 C ATOM 0 H LEU A 23 -2.235 0.769 -4.823 1.00 22.12 H new ATOM 0 HA LEU A 23 -0.797 -1.415 -3.495 1.00 61.20 H new ATOM 0 HB2 LEU A 23 -1.672 -0.807 -6.327 1.00 73.50 H new ATOM 0 HB3 LEU A 23 -0.479 -2.047 -5.992 1.00 73.50 H new ATOM 0 HG LEU A 23 -2.202 -3.119 -4.448 1.00 42.00 H new ATOM 0 HD11 LEU A 23 -4.559 -2.586 -4.895 1.00 14.42 H new ATOM 0 HD12 LEU A 23 -3.689 -1.209 -4.177 1.00 14.42 H new ATOM 0 HD13 LEU A 23 -4.051 -1.222 -5.920 1.00 14.42 H new ATOM 0 HD21 LEU A 23 -3.386 -4.188 -6.335 1.00 42.10 H new ATOM 0 HD22 LEU A 23 -2.814 -2.895 -7.416 1.00 42.10 H new ATOM 0 HD23 LEU A 23 -1.646 -4.007 -6.663 1.00 42.10 H new ATOM 369 N VAL A 24 1.513 -0.635 -3.914 1.00 33.42 N ATOM 370 CA VAL A 24 2.880 -0.177 -4.125 1.00 21.13 C ATOM 371 C VAL A 24 3.370 -0.608 -5.497 1.00 74.21 C ATOM 372 O VAL A 24 3.421 -1.797 -5.804 1.00 71.44 O ATOM 373 CB VAL A 24 3.840 -0.721 -3.048 1.00 20.13 C ATOM 374 CG1 VAL A 24 5.252 -0.208 -3.284 1.00 3.24 C ATOM 375 CG2 VAL A 24 3.358 -0.335 -1.659 1.00 20.25 C ATOM 0 H VAL A 24 1.413 -1.356 -3.200 1.00 33.42 H new ATOM 0 HA VAL A 24 2.872 0.911 -4.057 1.00 21.13 H new ATOM 0 HB VAL A 24 3.853 -1.809 -3.117 1.00 20.13 H new ATOM 0 HG11 VAL A 24 5.916 -0.602 -2.514 1.00 3.24 H new ATOM 0 HG12 VAL A 24 5.599 -0.535 -4.264 1.00 3.24 H new ATOM 0 HG13 VAL A 24 5.255 0.881 -3.243 1.00 3.24 H new ATOM 0 HG21 VAL A 24 4.048 -0.728 -0.912 1.00 20.25 H new ATOM 0 HG22 VAL A 24 3.315 0.751 -1.578 1.00 20.25 H new ATOM 0 HG23 VAL A 24 2.365 -0.751 -1.490 1.00 20.25 H new ATOM 385 N GLN A 25 3.720 0.370 -6.318 1.00 40.11 N ATOM 386 CA GLN A 25 4.178 0.109 -7.674 1.00 43.33 C ATOM 387 C GLN A 25 5.669 -0.168 -7.689 1.00 44.33 C ATOM 388 O GLN A 25 6.163 -0.931 -8.515 1.00 44.01 O ATOM 389 CB GLN A 25 3.857 1.295 -8.577 1.00 11.11 C ATOM 390 CG GLN A 25 2.376 1.438 -8.891 1.00 51.24 C ATOM 391 CD GLN A 25 1.821 0.261 -9.668 1.00 21.42 C ATOM 392 OE1 GLN A 25 1.823 0.258 -10.900 1.00 22.55 O ATOM 393 NE2 GLN A 25 1.344 -0.746 -8.950 1.00 1.45 N ATOM 0 H GLN A 25 3.695 1.358 -6.067 1.00 40.11 H new ATOM 0 HA GLN A 25 3.657 -0.772 -8.049 1.00 43.33 H new ATOM 0 HB2 GLN A 25 4.209 2.210 -8.100 1.00 11.11 H new ATOM 0 HB3 GLN A 25 4.409 1.190 -9.511 1.00 11.11 H new ATOM 0 HG2 GLN A 25 1.821 1.546 -7.959 1.00 51.24 H new ATOM 0 HG3 GLN A 25 2.218 2.352 -9.464 1.00 51.24 H new ATOM 0 HE21 GLN A 25 1.363 -0.700 -7.931 1.00 1.45 H new ATOM 0 HE22 GLN A 25 0.958 -1.567 -9.416 1.00 1.45 H new ATOM 402 N ARG A 26 6.374 0.443 -6.750 1.00 0.03 N ATOM 403 CA ARG A 26 7.810 0.300 -6.656 1.00 42.44 C ATOM 404 C ARG A 26 8.282 0.778 -5.295 1.00 14.33 C ATOM 405 O ARG A 26 7.740 1.735 -4.733 1.00 75.23 O ATOM 406 CB ARG A 26 8.517 1.078 -7.770 1.00 10.20 C ATOM 407 CG ARG A 26 8.292 2.581 -7.718 1.00 5.00 C ATOM 408 CD ARG A 26 8.956 3.279 -8.891 1.00 25.23 C ATOM 409 NE ARG A 26 8.357 2.893 -10.166 1.00 10.12 N ATOM 410 CZ ARG A 26 9.025 2.310 -11.158 1.00 21.34 C ATOM 411 NH1 ARG A 26 10.294 1.949 -10.994 1.00 33.53 N ATOM 412 NH2 ARG A 26 8.411 2.054 -12.304 1.00 53.25 N ATOM 0 H ARG A 26 5.966 1.048 -6.037 1.00 0.03 H new ATOM 0 HA ARG A 26 8.062 -0.754 -6.775 1.00 42.44 H new ATOM 0 HB2 ARG A 26 9.587 0.880 -7.714 1.00 10.20 H new ATOM 0 HB3 ARG A 26 8.174 0.703 -8.734 1.00 10.20 H new ATOM 0 HG2 ARG A 26 7.222 2.791 -7.725 1.00 5.00 H new ATOM 0 HG3 ARG A 26 8.689 2.978 -6.784 1.00 5.00 H new ATOM 0 HD2 ARG A 26 8.875 4.359 -8.764 1.00 25.23 H new ATOM 0 HD3 ARG A 26 10.019 3.038 -8.902 1.00 25.23 H new ATOM 0 HE ARG A 26 7.364 3.082 -10.305 1.00 10.12 H new ATOM 0 HH11 ARG A 26 10.761 2.119 -10.103 1.00 33.53 H new ATOM 0 HH12 ARG A 26 10.800 1.502 -11.759 1.00 33.53 H new ATOM 0 HH21 ARG A 26 7.429 2.304 -12.424 1.00 53.25 H new ATOM 0 HH22 ARG A 26 8.920 1.607 -13.067 1.00 53.25 H new ATOM 426 N VAL A 27 9.272 0.088 -4.771 1.00 61.32 N ATOM 427 CA VAL A 27 9.837 0.400 -3.465 1.00 11.32 C ATOM 428 C VAL A 27 11.284 0.862 -3.609 1.00 51.01 C ATOM 429 O VAL A 27 12.027 0.346 -4.446 1.00 63.21 O ATOM 430 CB VAL A 27 9.792 -0.829 -2.526 1.00 54.45 C ATOM 431 CG1 VAL A 27 10.270 -0.471 -1.125 1.00 53.35 C ATOM 432 CG2 VAL A 27 8.393 -1.419 -2.476 1.00 43.44 C ATOM 0 H VAL A 27 9.712 -0.707 -5.235 1.00 61.32 H new ATOM 0 HA VAL A 27 9.236 1.199 -3.030 1.00 11.32 H new ATOM 0 HB VAL A 27 10.470 -1.580 -2.932 1.00 54.45 H new ATOM 0 HG11 VAL A 27 10.227 -1.355 -0.489 1.00 53.35 H new ATOM 0 HG12 VAL A 27 11.297 -0.108 -1.173 1.00 53.35 H new ATOM 0 HG13 VAL A 27 9.629 0.307 -0.710 1.00 53.35 H new ATOM 0 HG21 VAL A 27 8.386 -2.282 -1.810 1.00 43.44 H new ATOM 0 HG22 VAL A 27 7.695 -0.669 -2.106 1.00 43.44 H new ATOM 0 HG23 VAL A 27 8.094 -1.731 -3.477 1.00 43.44 H new ATOM 442 N SER A 28 11.672 1.833 -2.801 1.00 52.14 N ATOM 443 CA SER A 28 13.041 2.323 -2.787 1.00 0.45 C ATOM 444 C SER A 28 13.538 2.415 -1.349 1.00 54.12 C ATOM 445 O SER A 28 12.822 2.029 -0.422 1.00 0.32 O ATOM 446 CB SER A 28 13.124 3.686 -3.480 1.00 22.31 C ATOM 447 OG SER A 28 12.184 4.600 -2.938 1.00 34.24 O ATOM 0 H SER A 28 11.053 2.302 -2.140 1.00 52.14 H new ATOM 0 HA SER A 28 13.678 1.627 -3.333 1.00 0.45 H new ATOM 0 HB2 SER A 28 14.131 4.090 -3.372 1.00 22.31 H new ATOM 0 HB3 SER A 28 12.942 3.565 -4.548 1.00 22.31 H new ATOM 0 HG SER A 28 11.614 4.137 -2.290 1.00 34.24 H new ATOM 453 N ASP A 29 14.744 2.933 -1.157 1.00 51.22 N ATOM 454 CA ASP A 29 15.322 3.033 0.174 1.00 51.22 C ATOM 455 C ASP A 29 14.719 4.206 0.930 1.00 72.40 C ATOM 456 O ASP A 29 15.330 5.268 1.057 1.00 10.51 O ATOM 457 CB ASP A 29 16.848 3.177 0.118 1.00 35.15 C ATOM 458 CG ASP A 29 17.545 1.923 -0.360 1.00 63.44 C ATOM 459 OD1 ASP A 29 17.704 0.982 0.447 1.00 63.31 O ATOM 460 OD2 ASP A 29 17.953 1.880 -1.539 1.00 44.50 O ATOM 0 H ASP A 29 15.339 3.289 -1.905 1.00 51.22 H new ATOM 0 HA ASP A 29 15.089 2.108 0.701 1.00 51.22 H new ATOM 0 HB2 ASP A 29 17.105 4.003 -0.545 1.00 35.15 H new ATOM 0 HB3 ASP A 29 17.219 3.436 1.110 1.00 35.15 H new ATOM 465 N GLY A 30 13.493 4.020 1.386 1.00 51.44 N ATOM 466 CA GLY A 30 12.847 5.021 2.206 1.00 43.43 C ATOM 467 C GLY A 30 11.531 5.483 1.628 1.00 3.02 C ATOM 468 O GLY A 30 10.642 5.910 2.360 1.00 72.23 O ATOM 0 H GLY A 30 12.930 3.189 1.202 1.00 51.44 H new ATOM 0 HA2 GLY A 30 12.679 4.615 3.204 1.00 43.43 H new ATOM 0 HA3 GLY A 30 13.511 5.878 2.318 1.00 43.43 H new ATOM 472 N LYS A 31 11.402 5.397 0.314 1.00 74.11 N ATOM 473 CA LYS A 31 10.220 5.869 -0.369 1.00 13.02 C ATOM 474 C LYS A 31 9.531 4.739 -1.134 1.00 24.14 C ATOM 475 O LYS A 31 10.138 3.699 -1.403 1.00 23.34 O ATOM 476 CB LYS A 31 10.619 6.975 -1.340 1.00 71.34 C ATOM 477 CG LYS A 31 11.165 8.228 -0.671 1.00 64.24 C ATOM 478 CD LYS A 31 11.746 9.197 -1.692 1.00 23.33 C ATOM 479 CE LYS A 31 12.913 8.577 -2.452 1.00 11.34 C ATOM 480 NZ LYS A 31 13.497 9.515 -3.447 1.00 31.12 N ATOM 0 H LYS A 31 12.112 5.000 -0.301 1.00 74.11 H new ATOM 0 HA LYS A 31 9.518 6.249 0.373 1.00 13.02 H new ATOM 0 HB2 LYS A 31 11.371 6.586 -2.026 1.00 71.34 H new ATOM 0 HB3 LYS A 31 9.750 7.247 -1.940 1.00 71.34 H new ATOM 0 HG2 LYS A 31 10.369 8.720 -0.113 1.00 64.24 H new ATOM 0 HG3 LYS A 31 11.935 7.951 0.049 1.00 64.24 H new ATOM 0 HD2 LYS A 31 10.969 9.494 -2.396 1.00 23.33 H new ATOM 0 HD3 LYS A 31 12.080 10.103 -1.186 1.00 23.33 H new ATOM 0 HE2 LYS A 31 13.685 8.274 -1.745 1.00 11.34 H new ATOM 0 HE3 LYS A 31 12.574 7.675 -2.961 1.00 11.34 H new ATOM 0 HZ1 LYS A 31 14.287 9.051 -3.940 1.00 31.12 H new ATOM 0 HZ2 LYS A 31 12.769 9.785 -4.138 1.00 31.12 H new ATOM 0 HZ3 LYS A 31 13.845 10.366 -2.960 1.00 31.12 H new ATOM 494 N ALA A 32 8.270 4.954 -1.488 1.00 72.11 N ATOM 495 CA ALA A 32 7.504 3.993 -2.274 1.00 11.03 C ATOM 496 C ALA A 32 6.400 4.699 -3.056 1.00 53.12 C ATOM 497 O ALA A 32 5.801 5.657 -2.570 1.00 62.43 O ATOM 498 CB ALA A 32 6.910 2.922 -1.372 1.00 4.22 C ATOM 0 H ALA A 32 7.750 5.796 -1.240 1.00 72.11 H new ATOM 0 HA ALA A 32 8.179 3.515 -2.984 1.00 11.03 H new ATOM 0 HB1 ALA A 32 6.342 2.213 -1.974 1.00 4.22 H new ATOM 0 HB2 ALA A 32 7.712 2.397 -0.854 1.00 4.22 H new ATOM 0 HB3 ALA A 32 6.250 3.388 -0.640 1.00 4.22 H new ATOM 504 N ALA A 33 6.133 4.226 -4.263 1.00 4.40 N ATOM 505 CA ALA A 33 5.104 4.826 -5.101 1.00 1.12 C ATOM 506 C ALA A 33 3.792 4.076 -4.924 1.00 64.11 C ATOM 507 O ALA A 33 3.696 2.893 -5.260 1.00 63.52 O ATOM 508 CB ALA A 33 5.536 4.817 -6.559 1.00 62.10 C ATOM 0 H ALA A 33 6.612 3.431 -4.685 1.00 4.40 H new ATOM 0 HA ALA A 33 4.958 5.863 -4.797 1.00 1.12 H new ATOM 0 HB1 ALA A 33 4.756 5.269 -7.172 1.00 62.10 H new ATOM 0 HB2 ALA A 33 6.459 5.386 -6.668 1.00 62.10 H new ATOM 0 HB3 ALA A 33 5.703 3.790 -6.883 1.00 62.10 H new ATOM 514 N VAL A 34 2.793 4.759 -4.386 1.00 44.20 N ATOM 515 CA VAL A 34 1.510 4.138 -4.098 1.00 62.32 C ATOM 516 C VAL A 34 0.495 4.464 -5.185 1.00 43.34 C ATOM 517 O VAL A 34 0.321 5.627 -5.554 1.00 62.32 O ATOM 518 CB VAL A 34 0.960 4.599 -2.734 1.00 71.34 C ATOM 519 CG1 VAL A 34 -0.274 3.800 -2.350 1.00 1.41 C ATOM 520 CG2 VAL A 34 2.026 4.482 -1.661 1.00 43.13 C ATOM 0 H VAL A 34 2.847 5.747 -4.139 1.00 44.20 H new ATOM 0 HA VAL A 34 1.672 3.061 -4.067 1.00 62.32 H new ATOM 0 HB VAL A 34 0.673 5.647 -2.821 1.00 71.34 H new ATOM 0 HG11 VAL A 34 -0.644 4.144 -1.384 1.00 1.41 H new ATOM 0 HG12 VAL A 34 -1.047 3.940 -3.105 1.00 1.41 H new ATOM 0 HG13 VAL A 34 -0.017 2.743 -2.285 1.00 1.41 H new ATOM 0 HG21 VAL A 34 1.618 4.812 -0.706 1.00 43.13 H new ATOM 0 HG22 VAL A 34 2.347 3.444 -1.579 1.00 43.13 H new ATOM 0 HG23 VAL A 34 2.879 5.106 -1.926 1.00 43.13 H new ATOM 530 N LEU A 35 -0.150 3.432 -5.707 1.00 73.43 N ATOM 531 CA LEU A 35 -1.158 3.595 -6.741 1.00 3.41 C ATOM 532 C LEU A 35 -2.560 3.475 -6.158 1.00 13.01 C ATOM 533 O LEU A 35 -2.924 2.445 -5.586 1.00 72.34 O ATOM 534 CB LEU A 35 -0.976 2.543 -7.832 1.00 31.24 C ATOM 535 CG LEU A 35 -1.870 2.711 -9.056 1.00 71.32 C ATOM 536 CD1 LEU A 35 -1.540 3.996 -9.799 1.00 10.42 C ATOM 537 CD2 LEU A 35 -1.743 1.509 -9.974 1.00 45.11 C ATOM 0 H LEU A 35 0.010 2.464 -5.427 1.00 73.43 H new ATOM 0 HA LEU A 35 -1.036 4.590 -7.170 1.00 3.41 H new ATOM 0 HB2 LEU A 35 0.064 2.558 -8.158 1.00 31.24 H new ATOM 0 HB3 LEU A 35 -1.161 1.560 -7.400 1.00 31.24 H new ATOM 0 HG LEU A 35 -2.904 2.777 -8.717 1.00 71.32 H new ATOM 0 HD11 LEU A 35 -2.192 4.092 -10.668 1.00 10.42 H new ATOM 0 HD12 LEU A 35 -1.691 4.848 -9.137 1.00 10.42 H new ATOM 0 HD13 LEU A 35 -0.501 3.970 -10.126 1.00 10.42 H new ATOM 0 HD21 LEU A 35 -2.387 1.645 -10.843 1.00 45.11 H new ATOM 0 HD22 LEU A 35 -0.708 1.409 -10.302 1.00 45.11 H new ATOM 0 HD23 LEU A 35 -2.042 0.608 -9.438 1.00 45.11 H new ATOM 549 N PHE A 36 -3.334 4.529 -6.304 1.00 33.11 N ATOM 550 CA PHE A 36 -4.722 4.531 -5.876 1.00 73.52 C ATOM 551 C PHE A 36 -5.630 4.423 -7.093 1.00 44.24 C ATOM 552 O PHE A 36 -5.301 4.941 -8.161 1.00 65.42 O ATOM 553 CB PHE A 36 -5.050 5.811 -5.103 1.00 73.43 C ATOM 554 CG PHE A 36 -4.170 6.050 -3.906 1.00 42.35 C ATOM 555 CD1 PHE A 36 -4.420 5.409 -2.703 1.00 2.41 C ATOM 556 CD2 PHE A 36 -3.093 6.921 -3.984 1.00 71.14 C ATOM 557 CE1 PHE A 36 -3.613 5.633 -1.604 1.00 21.24 C ATOM 558 CE2 PHE A 36 -2.285 7.146 -2.888 1.00 31.50 C ATOM 559 CZ PHE A 36 -2.545 6.502 -1.697 1.00 60.12 C ATOM 0 H PHE A 36 -3.023 5.407 -6.721 1.00 33.11 H new ATOM 0 HA PHE A 36 -4.884 3.678 -5.218 1.00 73.52 H new ATOM 0 HB2 PHE A 36 -4.965 6.662 -5.779 1.00 73.43 H new ATOM 0 HB3 PHE A 36 -6.088 5.768 -4.774 1.00 73.43 H new ATOM 0 HD1 PHE A 36 -5.254 4.727 -2.624 1.00 2.41 H new ATOM 0 HD2 PHE A 36 -2.884 7.429 -4.914 1.00 71.14 H new ATOM 0 HE1 PHE A 36 -3.818 5.128 -0.672 1.00 21.24 H new ATOM 0 HE2 PHE A 36 -1.449 7.826 -2.963 1.00 31.50 H new ATOM 0 HZ PHE A 36 -1.914 6.677 -0.838 1.00 60.12 H new ATOM 569 N GLU A 37 -6.761 3.754 -6.934 1.00 23.21 N ATOM 570 CA GLU A 37 -7.714 3.590 -8.022 1.00 51.12 C ATOM 571 C GLU A 37 -9.132 3.502 -7.473 1.00 2.21 C ATOM 572 O GLU A 37 -9.408 2.695 -6.584 1.00 41.12 O ATOM 573 CB GLU A 37 -7.410 2.326 -8.832 1.00 12.32 C ATOM 574 CG GLU A 37 -8.344 2.133 -10.016 1.00 14.14 C ATOM 575 CD GLU A 37 -8.390 0.702 -10.500 1.00 31.11 C ATOM 576 OE1 GLU A 37 -9.169 -0.096 -9.929 1.00 71.34 O ATOM 577 OE2 GLU A 37 -7.662 0.366 -11.454 1.00 70.35 O ATOM 0 H GLU A 37 -7.043 3.314 -6.058 1.00 23.21 H new ATOM 0 HA GLU A 37 -7.626 4.458 -8.675 1.00 51.12 H new ATOM 0 HB2 GLU A 37 -6.382 2.372 -9.192 1.00 12.32 H new ATOM 0 HB3 GLU A 37 -7.480 1.457 -8.177 1.00 12.32 H new ATOM 0 HG2 GLU A 37 -9.349 2.449 -9.735 1.00 14.14 H new ATOM 0 HG3 GLU A 37 -8.024 2.778 -10.834 1.00 14.14 H new ATOM 584 N ASN A 38 -10.021 4.333 -7.998 1.00 54.14 N ATOM 585 CA ASN A 38 -11.432 4.280 -7.636 1.00 34.24 C ATOM 586 C ASN A 38 -12.287 4.567 -8.863 1.00 34.14 C ATOM 587 O ASN A 38 -12.658 5.714 -9.125 1.00 45.31 O ATOM 588 CB ASN A 38 -11.758 5.279 -6.519 1.00 54.22 C ATOM 589 CG ASN A 38 -13.201 5.185 -6.049 1.00 33.02 C ATOM 590 OD1 ASN A 38 -13.809 4.116 -6.069 1.00 12.11 O ATOM 591 ND2 ASN A 38 -13.757 6.309 -5.619 1.00 23.14 N ATOM 0 H ASN A 38 -9.789 5.056 -8.679 1.00 54.14 H new ATOM 0 HA ASN A 38 -11.653 3.280 -7.264 1.00 34.24 H new ATOM 0 HB2 ASN A 38 -11.093 5.102 -5.674 1.00 54.22 H new ATOM 0 HB3 ASN A 38 -11.561 6.291 -6.873 1.00 54.22 H new ATOM 0 HD21 ASN A 38 -14.722 6.307 -5.289 1.00 23.14 H new ATOM 0 HD22 ASN A 38 -13.220 7.176 -5.618 1.00 23.14 H new ATOM 598 N GLY A 39 -12.557 3.520 -9.631 1.00 62.20 N ATOM 599 CA GLY A 39 -13.346 3.658 -10.838 1.00 50.23 C ATOM 600 C GLY A 39 -12.593 4.387 -11.933 1.00 30.11 C ATOM 601 O GLY A 39 -11.685 3.827 -12.554 1.00 51.10 O ATOM 0 H GLY A 39 -12.240 2.570 -9.437 1.00 62.20 H new ATOM 0 HA2 GLY A 39 -13.637 2.670 -11.195 1.00 50.23 H new ATOM 0 HA3 GLY A 39 -14.265 4.198 -10.610 1.00 50.23 H new ATOM 605 N ASN A 40 -12.958 5.641 -12.161 1.00 25.42 N ATOM 606 CA ASN A 40 -12.310 6.454 -13.180 1.00 43.22 C ATOM 607 C ASN A 40 -11.090 7.152 -12.596 1.00 21.32 C ATOM 608 O ASN A 40 -10.092 7.374 -13.283 1.00 52.40 O ATOM 609 CB ASN A 40 -13.296 7.489 -13.732 1.00 52.54 C ATOM 610 CG ASN A 40 -12.655 8.433 -14.732 1.00 72.40 C ATOM 611 OD1 ASN A 40 -12.147 9.493 -14.365 1.00 33.35 O ATOM 612 ND2 ASN A 40 -12.673 8.059 -16.002 1.00 22.32 N ATOM 0 H ASN A 40 -13.702 6.118 -11.652 1.00 25.42 H new ATOM 0 HA ASN A 40 -11.987 5.806 -13.995 1.00 43.22 H new ATOM 0 HB2 ASN A 40 -14.129 6.973 -14.208 1.00 52.54 H new ATOM 0 HB3 ASN A 40 -13.710 8.067 -12.906 1.00 52.54 H new ATOM 0 HD21 ASN A 40 -12.256 8.657 -16.716 1.00 22.32 H new ATOM 0 HD22 ASN A 40 -13.104 7.173 -16.267 1.00 22.32 H new ATOM 619 N TRP A 41 -11.176 7.478 -11.318 1.00 34.21 N ATOM 620 CA TRP A 41 -10.106 8.181 -10.637 1.00 30.03 C ATOM 621 C TRP A 41 -8.947 7.251 -10.325 1.00 70.04 C ATOM 622 O TRP A 41 -9.134 6.103 -9.919 1.00 51.34 O ATOM 623 CB TRP A 41 -10.632 8.834 -9.357 1.00 32.32 C ATOM 624 CG TRP A 41 -9.576 9.445 -8.480 1.00 50.11 C ATOM 625 CD1 TRP A 41 -8.994 10.671 -8.634 1.00 33.24 C ATOM 626 CD2 TRP A 41 -8.990 8.867 -7.305 1.00 34.35 C ATOM 627 NE1 TRP A 41 -8.080 10.889 -7.630 1.00 11.13 N ATOM 628 CE2 TRP A 41 -8.062 9.799 -6.801 1.00 44.10 C ATOM 629 CE3 TRP A 41 -9.159 7.656 -6.629 1.00 5.11 C ATOM 630 CZ2 TRP A 41 -7.307 9.556 -5.655 1.00 72.12 C ATOM 631 CZ3 TRP A 41 -8.410 7.417 -5.490 1.00 4.22 C ATOM 632 CH2 TRP A 41 -7.495 8.363 -5.013 1.00 54.21 C ATOM 0 H TRP A 41 -11.981 7.265 -10.729 1.00 34.21 H new ATOM 0 HA TRP A 41 -9.736 8.961 -11.303 1.00 30.03 H new ATOM 0 HB2 TRP A 41 -11.350 9.608 -9.629 1.00 32.32 H new ATOM 0 HB3 TRP A 41 -11.174 8.085 -8.780 1.00 32.32 H new ATOM 0 HD1 TRP A 41 -9.219 11.367 -9.428 1.00 33.24 H new ATOM 0 HE1 TRP A 41 -7.508 11.727 -7.520 1.00 11.13 H new ATOM 0 HE3 TRP A 41 -9.862 6.919 -6.989 1.00 5.11 H new ATOM 0 HZ2 TRP A 41 -6.599 10.284 -5.287 1.00 72.12 H new ATOM 0 HZ3 TRP A 41 -8.534 6.484 -4.960 1.00 4.22 H new ATOM 0 HH2 TRP A 41 -6.926 8.147 -4.121 1.00 54.21 H new ATOM 643 N ASP A 42 -7.752 7.768 -10.530 1.00 22.44 N ATOM 644 CA ASP A 42 -6.526 7.061 -10.196 1.00 33.03 C ATOM 645 C ASP A 42 -5.513 8.059 -9.676 1.00 41.32 C ATOM 646 O ASP A 42 -5.598 9.254 -9.978 1.00 71.41 O ATOM 647 CB ASP A 42 -5.946 6.312 -11.400 1.00 41.22 C ATOM 648 CG ASP A 42 -5.281 7.227 -12.411 1.00 25.24 C ATOM 649 OD1 ASP A 42 -5.992 7.796 -13.267 1.00 71.45 O ATOM 650 OD2 ASP A 42 -4.038 7.368 -12.362 1.00 54.34 O ATOM 0 H ASP A 42 -7.601 8.692 -10.934 1.00 22.44 H new ATOM 0 HA ASP A 42 -6.758 6.317 -9.434 1.00 33.03 H new ATOM 0 HB2 ASP A 42 -5.218 5.581 -11.048 1.00 41.22 H new ATOM 0 HB3 ASP A 42 -6.744 5.756 -11.893 1.00 41.22 H new ATOM 655 N LYS A 43 -4.568 7.583 -8.893 1.00 23.24 N ATOM 656 CA LYS A 43 -3.591 8.468 -8.292 1.00 32.22 C ATOM 657 C LYS A 43 -2.311 7.722 -7.945 1.00 21.52 C ATOM 658 O LYS A 43 -2.291 6.900 -7.036 1.00 65.21 O ATOM 659 CB LYS A 43 -4.172 9.107 -7.031 1.00 3.10 C ATOM 660 CG LYS A 43 -3.444 10.364 -6.596 1.00 73.54 C ATOM 661 CD LYS A 43 -3.524 11.432 -7.671 1.00 53.31 C ATOM 662 CE LYS A 43 -2.702 12.655 -7.310 1.00 13.13 C ATOM 663 NZ LYS A 43 -2.714 13.672 -8.394 1.00 32.03 N ATOM 0 H LYS A 43 -4.455 6.597 -8.659 1.00 23.24 H new ATOM 0 HA LYS A 43 -3.349 9.244 -9.018 1.00 32.22 H new ATOM 0 HB2 LYS A 43 -5.221 9.347 -7.206 1.00 3.10 H new ATOM 0 HB3 LYS A 43 -4.142 8.381 -6.219 1.00 3.10 H new ATOM 0 HG2 LYS A 43 -3.880 10.740 -5.670 1.00 73.54 H new ATOM 0 HG3 LYS A 43 -2.400 10.131 -6.386 1.00 73.54 H new ATOM 0 HD2 LYS A 43 -3.171 11.023 -8.617 1.00 53.31 H new ATOM 0 HD3 LYS A 43 -4.564 11.723 -7.818 1.00 53.31 H new ATOM 0 HE2 LYS A 43 -3.093 13.097 -6.393 1.00 13.13 H new ATOM 0 HE3 LYS A 43 -1.674 12.354 -7.106 1.00 13.13 H new ATOM 0 HZ1 LYS A 43 -2.141 14.491 -8.108 1.00 32.03 H new ATOM 0 HZ2 LYS A 43 -2.318 13.259 -9.262 1.00 32.03 H new ATOM 0 HZ3 LYS A 43 -3.692 13.979 -8.572 1.00 32.03 H new ATOM 677 N LEU A 44 -1.254 7.993 -8.692 1.00 51.35 N ATOM 678 CA LEU A 44 0.063 7.463 -8.375 1.00 65.11 C ATOM 679 C LEU A 44 0.876 8.528 -7.655 1.00 71.14 C ATOM 680 O LEU A 44 1.257 9.534 -8.254 1.00 63.53 O ATOM 681 CB LEU A 44 0.789 7.024 -9.650 1.00 45.14 C ATOM 682 CG LEU A 44 2.190 6.444 -9.430 1.00 62.13 C ATOM 683 CD1 LEU A 44 2.116 5.166 -8.606 1.00 3.34 C ATOM 684 CD2 LEU A 44 2.871 6.182 -10.765 1.00 3.14 C ATOM 0 H LEU A 44 -1.282 8.580 -9.526 1.00 51.35 H new ATOM 0 HA LEU A 44 -0.052 6.593 -7.729 1.00 65.11 H new ATOM 0 HB2 LEU A 44 0.179 6.278 -10.159 1.00 45.14 H new ATOM 0 HB3 LEU A 44 0.868 7.881 -10.319 1.00 45.14 H new ATOM 0 HG LEU A 44 2.783 7.173 -8.878 1.00 62.13 H new ATOM 0 HD11 LEU A 44 3.120 4.769 -8.460 1.00 3.34 H new ATOM 0 HD12 LEU A 44 1.667 5.384 -7.637 1.00 3.34 H new ATOM 0 HD13 LEU A 44 1.507 4.430 -9.131 1.00 3.34 H new ATOM 0 HD21 LEU A 44 3.865 5.770 -10.592 1.00 3.14 H new ATOM 0 HD22 LEU A 44 2.279 5.471 -11.342 1.00 3.14 H new ATOM 0 HD23 LEU A 44 2.957 7.117 -11.319 1.00 3.14 H new ATOM 696 N VAL A 45 1.114 8.322 -6.368 1.00 31.43 N ATOM 697 CA VAL A 45 1.859 9.283 -5.566 1.00 1.12 C ATOM 698 C VAL A 45 2.962 8.578 -4.789 1.00 71.14 C ATOM 699 O VAL A 45 2.730 7.540 -4.165 1.00 2.31 O ATOM 700 CB VAL A 45 0.948 10.039 -4.569 1.00 52.20 C ATOM 701 CG1 VAL A 45 1.739 11.094 -3.808 1.00 12.42 C ATOM 702 CG2 VAL A 45 -0.233 10.676 -5.283 1.00 60.12 C ATOM 0 H VAL A 45 0.802 7.497 -5.856 1.00 31.43 H new ATOM 0 HA VAL A 45 2.288 10.009 -6.257 1.00 1.12 H new ATOM 0 HB VAL A 45 0.562 9.313 -3.854 1.00 52.20 H new ATOM 0 HG11 VAL A 45 1.079 11.613 -3.113 1.00 12.42 H new ATOM 0 HG12 VAL A 45 2.545 10.614 -3.253 1.00 12.42 H new ATOM 0 HG13 VAL A 45 2.160 11.811 -4.512 1.00 12.42 H new ATOM 0 HG21 VAL A 45 -0.856 11.200 -4.559 1.00 60.12 H new ATOM 0 HG22 VAL A 45 0.131 11.383 -6.028 1.00 60.12 H new ATOM 0 HG23 VAL A 45 -0.822 9.902 -5.775 1.00 60.12 H new ATOM 712 N THR A 46 4.159 9.129 -4.846 1.00 13.44 N ATOM 713 CA THR A 46 5.280 8.593 -4.104 1.00 55.44 C ATOM 714 C THR A 46 5.269 9.105 -2.666 1.00 24.34 C ATOM 715 O THR A 46 5.213 10.311 -2.421 1.00 24.54 O ATOM 716 CB THR A 46 6.609 8.991 -4.756 1.00 14.31 C ATOM 717 OG1 THR A 46 6.438 9.105 -6.178 1.00 2.04 O ATOM 718 CG2 THR A 46 7.691 7.964 -4.452 1.00 71.23 C ATOM 0 H THR A 46 4.379 9.954 -5.404 1.00 13.44 H new ATOM 0 HA THR A 46 5.184 7.507 -4.109 1.00 55.44 H new ATOM 0 HB THR A 46 6.919 9.952 -4.346 1.00 14.31 H new ATOM 0 HG1 THR A 46 7.289 9.361 -6.590 1.00 2.04 H new ATOM 0 HG21 THR A 46 8.625 8.268 -4.925 1.00 71.23 H new ATOM 0 HG22 THR A 46 7.836 7.896 -3.374 1.00 71.23 H new ATOM 0 HG23 THR A 46 7.388 6.991 -4.839 1.00 71.23 H new ATOM 726 N PHE A 47 5.321 8.178 -1.735 1.00 11.34 N ATOM 727 CA PHE A 47 5.381 8.490 -0.318 1.00 33.21 C ATOM 728 C PHE A 47 6.619 7.838 0.274 1.00 52.33 C ATOM 729 O PHE A 47 7.461 7.324 -0.457 1.00 74.51 O ATOM 730 CB PHE A 47 4.132 7.979 0.415 1.00 64.32 C ATOM 731 CG PHE A 47 2.858 8.685 0.042 1.00 65.33 C ATOM 732 CD1 PHE A 47 2.596 9.959 0.514 1.00 33.22 C ATOM 733 CD2 PHE A 47 1.919 8.067 -0.768 1.00 21.34 C ATOM 734 CE1 PHE A 47 1.421 10.607 0.185 1.00 73.12 C ATOM 735 CE2 PHE A 47 0.742 8.709 -1.100 1.00 12.05 C ATOM 736 CZ PHE A 47 0.492 9.981 -0.623 1.00 34.32 C ATOM 0 H PHE A 47 5.323 7.178 -1.938 1.00 11.34 H new ATOM 0 HA PHE A 47 5.425 9.572 -0.197 1.00 33.21 H new ATOM 0 HB2 PHE A 47 4.016 6.915 0.210 1.00 64.32 H new ATOM 0 HB3 PHE A 47 4.289 8.082 1.489 1.00 64.32 H new ATOM 0 HD1 PHE A 47 3.318 10.453 1.147 1.00 33.22 H new ATOM 0 HD2 PHE A 47 2.109 7.073 -1.144 1.00 21.34 H new ATOM 0 HE1 PHE A 47 1.229 11.602 0.559 1.00 73.12 H new ATOM 0 HE2 PHE A 47 0.018 8.217 -1.732 1.00 12.05 H new ATOM 0 HZ PHE A 47 -0.428 10.485 -0.881 1.00 34.32 H new ATOM 746 N ARG A 48 6.728 7.853 1.590 1.00 50.13 N ATOM 747 CA ARG A 48 7.802 7.147 2.262 1.00 42.43 C ATOM 748 C ARG A 48 7.311 5.771 2.688 1.00 54.42 C ATOM 749 O ARG A 48 6.138 5.448 2.527 1.00 70.22 O ATOM 750 CB ARG A 48 8.286 7.919 3.489 1.00 51.35 C ATOM 751 CG ARG A 48 8.806 9.313 3.193 1.00 73.42 C ATOM 752 CD ARG A 48 9.087 10.070 4.480 1.00 24.52 C ATOM 753 NE ARG A 48 9.601 11.411 4.225 1.00 65.34 N ATOM 754 CZ ARG A 48 9.202 12.499 4.882 1.00 52.02 C ATOM 755 NH1 ARG A 48 8.243 12.416 5.797 1.00 12.10 N ATOM 756 NH2 ARG A 48 9.754 13.670 4.617 1.00 41.41 N ATOM 0 H ARG A 48 6.087 8.345 2.213 1.00 50.13 H new ATOM 0 HA ARG A 48 8.637 7.049 1.569 1.00 42.43 H new ATOM 0 HB2 ARG A 48 7.464 7.995 4.201 1.00 51.35 H new ATOM 0 HB3 ARG A 48 9.076 7.346 3.974 1.00 51.35 H new ATOM 0 HG2 ARG A 48 9.717 9.247 2.598 1.00 73.42 H new ATOM 0 HG3 ARG A 48 8.075 9.859 2.597 1.00 73.42 H new ATOM 0 HD2 ARG A 48 8.171 10.139 5.067 1.00 24.52 H new ATOM 0 HD3 ARG A 48 9.808 9.513 5.078 1.00 24.52 H new ATOM 0 HE ARG A 48 10.309 11.522 3.499 1.00 65.34 H new ATOM 0 HH11 ARG A 48 7.808 11.516 6.000 1.00 12.10 H new ATOM 0 HH12 ARG A 48 7.941 13.252 6.297 1.00 12.10 H new ATOM 0 HH21 ARG A 48 10.485 13.741 3.910 1.00 41.41 H new ATOM 0 HH22 ARG A 48 9.449 14.503 5.120 1.00 41.41 H new ATOM 770 N LEU A 49 8.201 4.985 3.260 1.00 4.01 N ATOM 771 CA LEU A 49 7.863 3.648 3.723 1.00 25.53 C ATOM 772 C LEU A 49 7.259 3.743 5.108 1.00 44.02 C ATOM 773 O LEU A 49 6.392 2.955 5.483 1.00 13.13 O ATOM 774 CB LEU A 49 9.105 2.751 3.758 1.00 32.23 C ATOM 775 CG LEU A 49 9.791 2.514 2.408 1.00 51.41 C ATOM 776 CD1 LEU A 49 11.048 1.672 2.587 1.00 62.51 C ATOM 777 CD2 LEU A 49 8.834 1.838 1.438 1.00 22.51 C ATOM 0 H LEU A 49 9.173 5.250 3.418 1.00 4.01 H new ATOM 0 HA LEU A 49 7.145 3.206 3.032 1.00 25.53 H new ATOM 0 HB2 LEU A 49 9.831 3.193 4.441 1.00 32.23 H new ATOM 0 HB3 LEU A 49 8.821 1.785 4.175 1.00 32.23 H new ATOM 0 HG LEU A 49 10.080 3.480 1.994 1.00 51.41 H new ATOM 0 HD11 LEU A 49 11.521 1.514 1.618 1.00 62.51 H new ATOM 0 HD12 LEU A 49 11.742 2.190 3.250 1.00 62.51 H new ATOM 0 HD13 LEU A 49 10.782 0.709 3.022 1.00 62.51 H new ATOM 0 HD21 LEU A 49 9.336 1.677 0.484 1.00 22.51 H new ATOM 0 HD22 LEU A 49 8.517 0.879 1.848 1.00 22.51 H new ATOM 0 HD23 LEU A 49 7.961 2.473 1.286 1.00 22.51 H new ATOM 789 N SER A 50 7.724 4.732 5.857 1.00 62.15 N ATOM 790 CA SER A 50 7.240 4.981 7.202 1.00 55.14 C ATOM 791 C SER A 50 5.824 5.538 7.174 1.00 4.03 C ATOM 792 O SER A 50 5.099 5.476 8.172 1.00 43.15 O ATOM 793 CB SER A 50 8.179 5.964 7.900 1.00 55.53 C ATOM 794 OG SER A 50 8.424 7.094 7.077 1.00 35.31 O ATOM 0 H SER A 50 8.446 5.382 5.548 1.00 62.15 H new ATOM 0 HA SER A 50 7.220 4.040 7.751 1.00 55.14 H new ATOM 0 HB2 SER A 50 7.741 6.284 8.845 1.00 55.53 H new ATOM 0 HB3 SER A 50 9.121 5.469 8.137 1.00 55.53 H new ATOM 0 HG SER A 50 7.575 7.537 6.869 1.00 35.31 H new ATOM 800 N GLU A 51 5.427 6.075 6.027 1.00 42.33 N ATOM 801 CA GLU A 51 4.122 6.722 5.916 1.00 64.54 C ATOM 802 C GLU A 51 3.037 5.701 5.603 1.00 53.24 C ATOM 803 O GLU A 51 1.845 6.023 5.605 1.00 2.43 O ATOM 804 CB GLU A 51 4.125 7.787 4.814 1.00 25.55 C ATOM 805 CG GLU A 51 5.404 8.600 4.724 1.00 35.54 C ATOM 806 CD GLU A 51 5.726 9.384 5.979 1.00 15.12 C ATOM 807 OE1 GLU A 51 6.402 8.834 6.873 1.00 15.32 O ATOM 808 OE2 GLU A 51 5.342 10.566 6.051 1.00 61.42 O ATOM 0 H GLU A 51 5.980 6.077 5.170 1.00 42.33 H new ATOM 0 HA GLU A 51 3.915 7.195 6.876 1.00 64.54 H new ATOM 0 HB2 GLU A 51 3.952 7.299 3.855 1.00 25.55 H new ATOM 0 HB3 GLU A 51 3.289 8.466 4.981 1.00 25.55 H new ATOM 0 HG2 GLU A 51 6.234 7.929 4.504 1.00 35.54 H new ATOM 0 HG3 GLU A 51 5.324 9.292 3.886 1.00 35.54 H new ATOM 815 N LEU A 52 3.450 4.474 5.328 1.00 42.10 N ATOM 816 CA LEU A 52 2.540 3.455 4.851 1.00 22.32 C ATOM 817 C LEU A 52 2.431 2.292 5.830 1.00 11.02 C ATOM 818 O LEU A 52 3.428 1.842 6.397 1.00 45.02 O ATOM 819 CB LEU A 52 3.029 2.940 3.500 1.00 73.11 C ATOM 820 CG LEU A 52 3.172 4.003 2.411 1.00 71.10 C ATOM 821 CD1 LEU A 52 3.825 3.411 1.174 1.00 70.41 C ATOM 822 CD2 LEU A 52 1.816 4.595 2.065 1.00 4.45 C ATOM 0 H LEU A 52 4.416 4.162 5.429 1.00 42.10 H new ATOM 0 HA LEU A 52 1.551 3.902 4.753 1.00 22.32 H new ATOM 0 HB2 LEU A 52 3.995 2.456 3.642 1.00 73.11 H new ATOM 0 HB3 LEU A 52 2.337 2.174 3.149 1.00 73.11 H new ATOM 0 HG LEU A 52 3.810 4.801 2.789 1.00 71.10 H new ATOM 0 HD11 LEU A 52 3.919 4.181 0.408 1.00 70.41 H new ATOM 0 HD12 LEU A 52 4.814 3.032 1.431 1.00 70.41 H new ATOM 0 HD13 LEU A 52 3.211 2.595 0.794 1.00 70.41 H new ATOM 0 HD21 LEU A 52 1.936 5.350 1.288 1.00 4.45 H new ATOM 0 HD22 LEU A 52 1.156 3.806 1.705 1.00 4.45 H new ATOM 0 HD23 LEU A 52 1.382 5.054 2.953 1.00 4.45 H new ATOM 834 N GLU A 53 1.213 1.815 6.017 1.00 42.02 N ATOM 835 CA GLU A 53 0.972 0.611 6.789 1.00 34.45 C ATOM 836 C GLU A 53 0.830 -0.549 5.821 1.00 61.11 C ATOM 837 O GLU A 53 -0.185 -0.670 5.131 1.00 30.34 O ATOM 838 CB GLU A 53 -0.290 0.758 7.645 1.00 25.44 C ATOM 839 CG GLU A 53 -0.612 -0.460 8.499 1.00 23.21 C ATOM 840 CD GLU A 53 0.456 -0.755 9.533 1.00 64.33 C ATOM 841 OE1 GLU A 53 1.495 -1.345 9.169 1.00 3.12 O ATOM 842 OE2 GLU A 53 0.260 -0.410 10.718 1.00 41.21 O ATOM 0 H GLU A 53 0.370 2.248 5.641 1.00 42.02 H new ATOM 0 HA GLU A 53 1.806 0.432 7.468 1.00 34.45 H new ATOM 0 HB2 GLU A 53 -0.174 1.624 8.297 1.00 25.44 H new ATOM 0 HB3 GLU A 53 -1.137 0.963 6.990 1.00 25.44 H new ATOM 0 HG2 GLU A 53 -1.565 -0.302 9.004 1.00 23.21 H new ATOM 0 HG3 GLU A 53 -0.734 -1.329 7.852 1.00 23.21 H new ATOM 849 N ALA A 54 1.864 -1.369 5.735 1.00 14.34 N ATOM 850 CA ALA A 54 1.884 -2.471 4.789 1.00 21.14 C ATOM 851 C ALA A 54 0.897 -3.550 5.196 1.00 50.00 C ATOM 852 O ALA A 54 1.109 -4.262 6.178 1.00 63.11 O ATOM 853 CB ALA A 54 3.285 -3.047 4.674 1.00 32.52 C ATOM 0 H ALA A 54 2.702 -1.292 6.311 1.00 14.34 H new ATOM 0 HA ALA A 54 1.585 -2.088 3.813 1.00 21.14 H new ATOM 0 HB1 ALA A 54 3.282 -3.872 3.961 1.00 32.52 H new ATOM 0 HB2 ALA A 54 3.970 -2.272 4.330 1.00 32.52 H new ATOM 0 HB3 ALA A 54 3.610 -3.411 5.649 1.00 32.52 H new ATOM 859 N VAL A 55 -0.191 -3.653 4.453 1.00 72.10 N ATOM 860 CA VAL A 55 -1.183 -4.676 4.711 1.00 25.51 C ATOM 861 C VAL A 55 -0.807 -5.933 3.938 1.00 33.23 C ATOM 862 O VAL A 55 0.093 -5.909 3.094 1.00 65.33 O ATOM 863 CB VAL A 55 -2.606 -4.223 4.302 1.00 34.41 C ATOM 864 CG1 VAL A 55 -3.671 -5.028 5.037 1.00 3.25 C ATOM 865 CG2 VAL A 55 -2.795 -2.733 4.546 1.00 32.42 C ATOM 0 H VAL A 55 -0.408 -3.040 3.667 1.00 72.10 H new ATOM 0 HA VAL A 55 -1.198 -4.872 5.783 1.00 25.51 H new ATOM 0 HB VAL A 55 -2.719 -4.410 3.234 1.00 34.41 H new ATOM 0 HG11 VAL A 55 -4.660 -4.688 4.730 1.00 3.25 H new ATOM 0 HG12 VAL A 55 -3.559 -6.085 4.796 1.00 3.25 H new ATOM 0 HG13 VAL A 55 -3.556 -4.887 6.112 1.00 3.25 H new ATOM 0 HG21 VAL A 55 -3.803 -2.441 4.250 1.00 32.42 H new ATOM 0 HG22 VAL A 55 -2.650 -2.516 5.604 1.00 32.42 H new ATOM 0 HG23 VAL A 55 -2.068 -2.173 3.958 1.00 32.42 H new ATOM 875 N LYS A 56 -1.479 -7.024 4.230 1.00 45.23 N ATOM 876 CA LYS A 56 -1.190 -8.281 3.591 1.00 14.45 C ATOM 877 C LYS A 56 -2.322 -8.671 2.655 1.00 65.13 C ATOM 878 O LYS A 56 -3.496 -8.578 3.024 1.00 72.22 O ATOM 879 CB LYS A 56 -0.972 -9.349 4.656 1.00 51.12 C ATOM 880 CG LYS A 56 0.226 -9.066 5.547 1.00 61.44 C ATOM 881 CD LYS A 56 0.409 -10.146 6.600 1.00 5.44 C ATOM 882 CE LYS A 56 1.573 -9.830 7.523 1.00 50.31 C ATOM 883 NZ LYS A 56 1.712 -10.840 8.603 1.00 0.02 N ATOM 0 H LYS A 56 -2.236 -7.062 4.913 1.00 45.23 H new ATOM 0 HA LYS A 56 -0.282 -8.186 2.995 1.00 14.45 H new ATOM 0 HB2 LYS A 56 -1.867 -9.426 5.274 1.00 51.12 H new ATOM 0 HB3 LYS A 56 -0.836 -10.315 4.171 1.00 51.12 H new ATOM 0 HG2 LYS A 56 1.126 -8.997 4.936 1.00 61.44 H new ATOM 0 HG3 LYS A 56 0.097 -8.100 6.035 1.00 61.44 H new ATOM 0 HD2 LYS A 56 -0.505 -10.244 7.186 1.00 5.44 H new ATOM 0 HD3 LYS A 56 0.580 -11.106 6.113 1.00 5.44 H new ATOM 0 HE2 LYS A 56 2.495 -9.789 6.943 1.00 50.31 H new ATOM 0 HE3 LYS A 56 1.429 -8.844 7.964 1.00 50.31 H new ATOM 0 HZ1 LYS A 56 2.517 -10.589 9.211 1.00 0.02 H new ATOM 0 HZ2 LYS A 56 0.842 -10.862 9.172 1.00 0.02 H new ATOM 0 HZ3 LYS A 56 1.875 -11.777 8.183 1.00 0.02 H new ATOM 897 N PRO A 57 -1.987 -9.078 1.423 1.00 33.55 N ATOM 898 CA PRO A 57 -2.977 -9.541 0.451 1.00 43.21 C ATOM 899 C PRO A 57 -3.750 -10.742 0.982 1.00 22.33 C ATOM 900 O PRO A 57 -3.186 -11.591 1.675 1.00 30.35 O ATOM 901 CB PRO A 57 -2.136 -9.938 -0.768 1.00 40.42 C ATOM 902 CG PRO A 57 -0.846 -9.210 -0.602 1.00 15.14 C ATOM 903 CD PRO A 57 -0.620 -9.113 0.879 1.00 23.34 C ATOM 0 HA PRO A 57 -3.724 -8.781 0.224 1.00 43.21 H new ATOM 0 HB2 PRO A 57 -1.979 -11.016 -0.805 1.00 40.42 H new ATOM 0 HB3 PRO A 57 -2.631 -9.656 -1.697 1.00 40.42 H new ATOM 0 HG2 PRO A 57 -0.030 -9.744 -1.088 1.00 15.14 H new ATOM 0 HG3 PRO A 57 -0.894 -8.220 -1.056 1.00 15.14 H new ATOM 0 HD2 PRO A 57 -0.057 -9.966 1.258 1.00 23.34 H new ATOM 0 HD3 PRO A 57 -0.058 -8.217 1.143 1.00 23.34 H new ATOM 911 N ILE A 58 -5.038 -10.804 0.665 1.00 42.00 N ATOM 912 CA ILE A 58 -5.886 -11.881 1.149 1.00 55.03 C ATOM 913 C ILE A 58 -5.411 -13.204 0.575 1.00 1.05 C ATOM 914 O ILE A 58 -4.964 -13.273 -0.572 1.00 35.31 O ATOM 915 CB ILE A 58 -7.375 -11.699 0.775 1.00 15.15 C ATOM 916 CG1 ILE A 58 -7.804 -10.227 0.836 1.00 14.03 C ATOM 917 CG2 ILE A 58 -8.255 -12.535 1.693 1.00 62.31 C ATOM 918 CD1 ILE A 58 -7.513 -9.447 -0.431 1.00 23.43 C ATOM 0 H ILE A 58 -5.515 -10.121 0.076 1.00 42.00 H new ATOM 0 HA ILE A 58 -5.810 -11.866 2.236 1.00 55.03 H new ATOM 0 HB ILE A 58 -7.497 -12.039 -0.253 1.00 15.15 H new ATOM 0 HG12 ILE A 58 -8.873 -10.179 1.042 1.00 14.03 H new ATOM 0 HG13 ILE A 58 -7.296 -9.745 1.672 1.00 14.03 H new ATOM 0 HG21 ILE A 58 -9.301 -12.398 1.419 1.00 62.31 H new ATOM 0 HG22 ILE A 58 -7.989 -13.587 1.593 1.00 62.31 H new ATOM 0 HG23 ILE A 58 -8.106 -12.220 2.726 1.00 62.31 H new ATOM 0 HD11 ILE A 58 -7.845 -8.416 -0.308 1.00 23.43 H new ATOM 0 HD12 ILE A 58 -6.441 -9.461 -0.629 1.00 23.43 H new ATOM 0 HD13 ILE A 58 -8.043 -9.902 -1.268 1.00 23.43 H new ATOM 930 N LEU A 59 -5.528 -14.242 1.370 1.00 40.00 N ATOM 931 CA LEU A 59 -5.057 -15.556 0.985 1.00 42.42 C ATOM 932 C LEU A 59 -6.170 -16.582 1.117 1.00 32.55 C ATOM 933 O LEU A 59 -7.052 -16.458 1.969 1.00 62.22 O ATOM 934 CB LEU A 59 -3.819 -15.954 1.804 1.00 23.22 C ATOM 935 CG LEU A 59 -3.894 -15.714 3.319 1.00 73.53 C ATOM 936 CD1 LEU A 59 -4.717 -16.790 4.015 1.00 42.24 C ATOM 937 CD2 LEU A 59 -2.495 -15.648 3.907 1.00 34.40 C ATOM 0 H LEU A 59 -5.950 -14.202 2.298 1.00 40.00 H new ATOM 0 HA LEU A 59 -4.759 -15.524 -0.063 1.00 42.42 H new ATOM 0 HB2 LEU A 59 -3.624 -17.013 1.636 1.00 23.22 H new ATOM 0 HB3 LEU A 59 -2.961 -15.406 1.414 1.00 23.22 H new ATOM 0 HG LEU A 59 -4.394 -14.760 3.485 1.00 73.53 H new ATOM 0 HD11 LEU A 59 -4.749 -16.588 5.086 1.00 42.24 H new ATOM 0 HD12 LEU A 59 -5.731 -16.788 3.615 1.00 42.24 H new ATOM 0 HD13 LEU A 59 -4.261 -17.765 3.843 1.00 42.24 H new ATOM 0 HD21 LEU A 59 -2.560 -15.478 4.982 1.00 34.40 H new ATOM 0 HD22 LEU A 59 -1.977 -16.588 3.719 1.00 34.40 H new ATOM 0 HD23 LEU A 59 -1.943 -14.831 3.443 1.00 34.40 H new ATOM 949 N GLU A 60 -6.124 -17.587 0.264 1.00 15.04 N ATOM 950 CA GLU A 60 -7.180 -18.580 0.187 1.00 12.35 C ATOM 951 C GLU A 60 -6.853 -19.810 1.028 1.00 73.32 C ATOM 952 O GLU A 60 -5.712 -20.006 1.449 1.00 35.43 O ATOM 953 CB GLU A 60 -7.397 -18.976 -1.272 1.00 21.25 C ATOM 954 CG GLU A 60 -6.124 -19.426 -1.971 1.00 0.43 C ATOM 955 CD GLU A 60 -6.319 -19.611 -3.456 1.00 0.03 C ATOM 956 OE1 GLU A 60 -6.899 -20.636 -3.855 1.00 33.54 O ATOM 957 OE2 GLU A 60 -5.893 -18.730 -4.227 1.00 52.10 O ATOM 0 H GLU A 60 -5.358 -17.739 -0.392 1.00 15.04 H new ATOM 0 HA GLU A 60 -8.095 -18.144 0.588 1.00 12.35 H new ATOM 0 HB2 GLU A 60 -8.131 -19.780 -1.317 1.00 21.25 H new ATOM 0 HB3 GLU A 60 -7.819 -18.128 -1.812 1.00 21.25 H new ATOM 0 HG2 GLU A 60 -5.339 -18.690 -1.799 1.00 0.43 H new ATOM 0 HG3 GLU A 60 -5.784 -20.364 -1.532 1.00 0.43 H new ATOM 964 N HIS A 61 -7.867 -20.628 1.270 1.00 3.25 N ATOM 965 CA HIS A 61 -7.711 -21.853 2.040 1.00 54.44 C ATOM 966 C HIS A 61 -8.361 -23.026 1.311 1.00 20.22 C ATOM 967 O HIS A 61 -9.475 -22.909 0.802 1.00 0.45 O ATOM 968 CB HIS A 61 -8.327 -21.673 3.436 1.00 41.41 C ATOM 969 CG HIS A 61 -8.365 -22.919 4.270 1.00 34.52 C ATOM 970 ND1 HIS A 61 -7.256 -23.460 4.885 1.00 1.13 N ATOM 971 CD2 HIS A 61 -9.402 -23.726 4.596 1.00 12.03 C ATOM 972 CE1 HIS A 61 -7.613 -24.544 5.551 1.00 21.15 C ATOM 973 NE2 HIS A 61 -8.907 -24.726 5.391 1.00 13.13 N ATOM 0 H HIS A 61 -8.818 -20.462 0.939 1.00 3.25 H new ATOM 0 HA HIS A 61 -6.649 -22.070 2.152 1.00 54.44 H new ATOM 0 HB2 HIS A 61 -7.762 -20.911 3.972 1.00 41.41 H new ATOM 0 HB3 HIS A 61 -9.344 -21.296 3.324 1.00 41.41 H new ATOM 0 HD2 HIS A 61 -10.430 -23.604 4.287 1.00 12.03 H new ATOM 0 HE1 HIS A 61 -6.954 -25.175 6.129 1.00 21.15 H new ATOM 0 HE2 HIS A 61 -9.453 -25.488 5.794 1.00 13.13 H new ATOM 982 N HIS A 62 -7.649 -24.142 1.247 1.00 41.30 N ATOM 983 CA HIS A 62 -8.165 -25.354 0.625 1.00 4.32 C ATOM 984 C HIS A 62 -8.182 -26.489 1.639 1.00 61.40 C ATOM 985 O HIS A 62 -7.588 -26.377 2.712 1.00 64.25 O ATOM 986 CB HIS A 62 -7.311 -25.763 -0.581 1.00 22.14 C ATOM 987 CG HIS A 62 -7.284 -24.754 -1.688 1.00 75.33 C ATOM 988 ND1 HIS A 62 -8.061 -24.853 -2.821 1.00 21.22 N ATOM 989 CD2 HIS A 62 -6.556 -23.622 -1.835 1.00 43.30 C ATOM 990 CE1 HIS A 62 -7.810 -23.831 -3.613 1.00 13.15 C ATOM 991 NE2 HIS A 62 -6.904 -23.071 -3.041 1.00 24.21 N ATOM 0 H HIS A 62 -6.705 -24.234 1.621 1.00 41.30 H new ATOM 0 HA HIS A 62 -9.179 -25.151 0.280 1.00 4.32 H new ATOM 0 HB2 HIS A 62 -6.290 -25.943 -0.244 1.00 22.14 H new ATOM 0 HB3 HIS A 62 -7.688 -26.707 -0.975 1.00 22.14 H new ATOM 0 HD2 HIS A 62 -5.836 -23.227 -1.134 1.00 43.30 H new ATOM 0 HE1 HIS A 62 -8.272 -23.648 -4.572 1.00 13.15 H new ATOM 0 HE2 HIS A 62 -6.521 -22.210 -3.431 1.00 24.21 H new ATOM 1000 N HIS A 63 -8.861 -27.576 1.303 1.00 74.12 N ATOM 1001 CA HIS A 63 -8.900 -28.744 2.170 1.00 13.35 C ATOM 1002 C HIS A 63 -8.704 -30.013 1.350 1.00 43.41 C ATOM 1003 O HIS A 63 -9.141 -30.091 0.201 1.00 35.22 O ATOM 1004 CB HIS A 63 -10.221 -28.804 2.957 1.00 4.34 C ATOM 1005 CG HIS A 63 -11.440 -29.096 2.126 1.00 12.01 C ATOM 1006 ND1 HIS A 63 -12.195 -28.119 1.515 1.00 24.54 N ATOM 1007 CD2 HIS A 63 -12.036 -30.270 1.819 1.00 51.22 C ATOM 1008 CE1 HIS A 63 -13.205 -28.680 0.872 1.00 62.52 C ATOM 1009 NE2 HIS A 63 -13.130 -29.987 1.041 1.00 71.14 N ATOM 0 H HIS A 63 -9.392 -27.673 0.437 1.00 74.12 H new ATOM 0 HA HIS A 63 -8.086 -28.664 2.891 1.00 13.35 H new ATOM 0 HB2 HIS A 63 -10.133 -29.569 3.728 1.00 4.34 H new ATOM 0 HB3 HIS A 63 -10.367 -27.852 3.467 1.00 4.34 H new ATOM 0 HD2 HIS A 63 -11.710 -31.252 2.130 1.00 51.22 H new ATOM 0 HE1 HIS A 63 -13.962 -28.158 0.305 1.00 62.52 H new ATOM 0 HE2 HIS A 63 -13.779 -30.674 0.656 1.00 71.14 H new ATOM 1018 N HIS A 64 -8.042 -30.994 1.936 1.00 75.31 N ATOM 1019 CA HIS A 64 -7.796 -32.259 1.260 1.00 12.04 C ATOM 1020 C HIS A 64 -8.914 -33.239 1.599 1.00 52.05 C ATOM 1021 O HIS A 64 -9.278 -33.381 2.766 1.00 23.44 O ATOM 1022 CB HIS A 64 -6.443 -32.818 1.693 1.00 43.23 C ATOM 1023 CG HIS A 64 -5.802 -33.719 0.684 1.00 55.02 C ATOM 1024 ND1 HIS A 64 -5.640 -35.072 0.875 1.00 34.31 N ATOM 1025 CD2 HIS A 64 -5.244 -33.442 -0.518 1.00 60.21 C ATOM 1026 CE1 HIS A 64 -5.009 -35.588 -0.162 1.00 35.51 C ATOM 1027 NE2 HIS A 64 -4.757 -34.619 -1.023 1.00 35.11 N ATOM 0 H HIS A 64 -7.663 -30.941 2.882 1.00 75.31 H new ATOM 0 HA HIS A 64 -7.778 -32.104 0.181 1.00 12.04 H new ATOM 0 HB2 HIS A 64 -5.769 -31.987 1.902 1.00 43.23 H new ATOM 0 HB3 HIS A 64 -6.571 -33.368 2.626 1.00 43.23 H new ATOM 0 HD2 HIS A 64 -5.192 -32.473 -0.991 1.00 60.21 H new ATOM 0 HE1 HIS A 64 -4.743 -36.627 -0.286 1.00 35.51 H new ATOM 0 HE2 HIS A 64 -4.278 -34.729 -1.917 1.00 35.11 H new ATOM 1036 N HIS A 65 -9.460 -33.902 0.583 1.00 1.01 N ATOM 1037 CA HIS A 65 -10.615 -34.783 0.767 1.00 52.45 C ATOM 1038 C HIS A 65 -10.317 -35.913 1.748 1.00 62.34 C ATOM 1039 O HIS A 65 -10.629 -35.807 2.935 1.00 75.52 O ATOM 1040 CB HIS A 65 -11.086 -35.365 -0.569 1.00 31.43 C ATOM 1041 CG HIS A 65 -11.811 -34.384 -1.432 1.00 21.42 C ATOM 1042 ND1 HIS A 65 -11.423 -34.071 -2.717 1.00 3.03 N ATOM 1043 CD2 HIS A 65 -12.917 -33.651 -1.187 1.00 11.01 C ATOM 1044 CE1 HIS A 65 -12.263 -33.188 -3.223 1.00 51.04 C ATOM 1045 NE2 HIS A 65 -13.178 -32.916 -2.313 1.00 4.35 N ATOM 0 H HIS A 65 -9.122 -33.847 -0.378 1.00 1.01 H new ATOM 0 HA HIS A 65 -11.413 -34.171 1.186 1.00 52.45 H new ATOM 0 HB2 HIS A 65 -10.222 -35.745 -1.114 1.00 31.43 H new ATOM 0 HB3 HIS A 65 -11.739 -36.216 -0.374 1.00 31.43 H new ATOM 0 HD2 HIS A 65 -13.491 -33.645 -0.272 1.00 11.01 H new ATOM 0 HE1 HIS A 65 -12.210 -32.761 -4.214 1.00 51.04 H new ATOM 0 HE2 HIS A 65 -13.954 -32.264 -2.429 1.00 4.35 H new ATOM 1054 N HIS A 66 -9.701 -36.981 1.258 1.00 60.11 N ATOM 1055 CA HIS A 66 -9.404 -38.139 2.093 1.00 11.00 C ATOM 1056 C HIS A 66 -8.504 -39.105 1.336 1.00 22.50 C ATOM 1057 O HIS A 66 -9.027 -40.061 0.734 1.00 38.93 O ATOM 1058 CB HIS A 66 -10.703 -38.844 2.513 1.00 63.10 C ATOM 1059 CG HIS A 66 -10.532 -39.830 3.630 1.00 42.00 C ATOM 1060 ND1 HIS A 66 -10.698 -41.186 3.472 1.00 71.44 N ATOM 1061 CD2 HIS A 66 -10.243 -39.640 4.937 1.00 71.32 C ATOM 1062 CE1 HIS A 66 -10.518 -41.787 4.633 1.00 52.43 C ATOM 1063 NE2 HIS A 66 -10.241 -40.872 5.540 1.00 33.15 N ATOM 1064 OXT HIS A 66 -7.281 -38.870 1.301 1.00 38.93 O ATOM 0 H HIS A 66 -9.397 -37.070 0.288 1.00 60.11 H new ATOM 0 HA HIS A 66 -8.888 -37.801 2.992 1.00 11.00 H new ATOM 0 HB2 HIS A 66 -11.431 -38.091 2.816 1.00 63.10 H new ATOM 0 HB3 HIS A 66 -11.120 -39.360 1.648 1.00 63.10 H new ATOM 0 HD2 HIS A 66 -10.049 -38.693 5.418 1.00 71.32 H new ATOM 0 HE1 HIS A 66 -10.586 -42.850 4.810 1.00 52.43 H new ATOM 0 HE2 HIS A 66 -10.056 -41.050 6.527 1.00 33.15 H new TER 1073 HIS A 66