USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 650 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 10 SER OG : rot -79:sc= -3.48! USER MOD Set 1.2: A 36 MET CE :methyl -171:sc= -0.115 (180deg=0) USER MOD Set 1.3: A 43 MET CE :methyl 173:sc= 0 (180deg=-0.0748) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.587 (180deg=-0.0984) USER MOD Single : A 3 ASN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00487 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.195 K(o=-0.19,f=-2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 167:sc= 0.642 USER MOD Single : A 26 HIS : no HD1:sc= -0.434 K(o=-0.43,f=-0.94) USER MOD Single : A 31 SER OG : rot 180:sc= -0.206 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 33 TYR OH : rot 30:sc= -3.29! USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -154:sc= -0.0699 (180deg=-0.462) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.413 X(o=-0.41,f=0) USER MOD Single : A 48 GLN : amide:sc= -1.76 K(o=-1.8,f=-0.89) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 8:sc= -5.51! USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= -0.295 (180deg=-1.2) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.208 USER MOD Single : A 79 HIS : no HD1:sc= -0.569 K(o=-0.57,f=-0.036) USER MOD Single : A 80 HIS : no HD1:sc= -0.357 K(o=-0.36,f=-1.9) USER MOD Single : A 81 HIS : no HD1:sc= -0.029 X(o=-0.029,f=-0.17) USER MOD Single : A 82 HIS : no HD1:sc= -0.0759 X(o=-0.076,f=-0.3) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.163 12.906 -12.890 1.00 0.00 N ATOM 2 CA MET A 1 6.711 11.586 -13.403 1.00 0.00 C ATOM 3 C MET A 1 7.038 10.470 -12.417 1.00 0.00 C ATOM 4 O MET A 1 8.049 9.782 -12.555 1.00 0.00 O ATOM 5 CB MET A 1 7.399 11.324 -14.744 1.00 0.00 C ATOM 6 CG MET A 1 6.820 12.132 -15.893 1.00 0.00 C ATOM 7 SD MET A 1 5.207 11.526 -16.425 1.00 0.00 S ATOM 8 CE MET A 1 5.171 12.100 -18.121 1.00 0.00 C ATOM 0 H1 MET A 1 6.336 13.514 -12.719 1.00 0.00 H new ATOM 0 H2 MET A 1 7.684 12.773 -12.000 1.00 0.00 H new ATOM 0 H3 MET A 1 7.785 13.357 -13.591 1.00 0.00 H new ATOM 0 HA MET A 1 5.629 11.603 -13.532 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.461 11.552 -14.649 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.321 10.263 -14.982 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.730 13.175 -15.589 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.510 12.104 -16.736 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.232 11.801 -18.586 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.256 13.187 -18.139 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.004 11.662 -18.671 1.00 0.00 H new ATOM 20 N GLU A 2 6.175 10.296 -11.421 1.00 0.00 N ATOM 21 CA GLU A 2 6.372 9.262 -10.411 1.00 0.00 C ATOM 22 C GLU A 2 5.178 8.315 -10.362 1.00 0.00 C ATOM 23 O GLU A 2 4.078 8.705 -9.968 1.00 0.00 O ATOM 24 CB GLU A 2 6.589 9.898 -9.036 1.00 0.00 C ATOM 25 CG GLU A 2 7.711 10.923 -9.010 1.00 0.00 C ATOM 26 CD GLU A 2 7.280 12.274 -9.547 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.087 12.617 -9.402 1.00 0.00 O ATOM 28 OE2 GLU A 2 8.134 12.988 -10.112 1.00 0.00 O ATOM 0 H GLU A 2 5.333 10.857 -11.292 1.00 0.00 H new ATOM 0 HA GLU A 2 7.258 8.688 -10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.663 10.377 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.808 9.113 -8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.067 11.040 -7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.550 10.553 -9.599 1.00 0.00 H new ATOM 35 N ASN A 3 5.401 7.068 -10.764 1.00 0.00 N ATOM 36 CA ASN A 3 4.344 6.064 -10.767 1.00 0.00 C ATOM 37 C ASN A 3 4.901 4.689 -11.122 1.00 0.00 C ATOM 38 O ASN A 3 5.640 4.541 -12.096 1.00 0.00 O ATOM 39 CB ASN A 3 3.244 6.453 -11.756 1.00 0.00 C ATOM 40 CG ASN A 3 2.044 5.529 -11.679 1.00 0.00 C ATOM 41 OD1 ASN A 3 1.590 4.997 -12.693 1.00 0.00 O ATOM 42 ND2 ASN A 3 1.524 5.333 -10.473 1.00 0.00 N ATOM 0 H ASN A 3 6.305 6.729 -11.092 1.00 0.00 H new ATOM 0 HA ASN A 3 3.920 6.016 -9.764 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.925 7.476 -11.556 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.647 6.437 -12.769 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.716 4.721 -10.359 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.933 5.794 -9.660 1.00 0.00 H new ATOM 49 N ASP A 4 4.543 3.687 -10.327 1.00 0.00 N ATOM 50 CA ASP A 4 5.009 2.324 -10.559 1.00 0.00 C ATOM 51 C ASP A 4 4.089 1.310 -9.882 1.00 0.00 C ATOM 52 O ASP A 4 3.312 1.659 -8.995 1.00 0.00 O ATOM 53 CB ASP A 4 6.439 2.158 -10.041 1.00 0.00 C ATOM 54 CG ASP A 4 7.477 2.427 -11.112 1.00 0.00 C ATOM 55 OD1 ASP A 4 7.244 2.038 -12.276 1.00 0.00 O ATOM 56 OD2 ASP A 4 8.523 3.028 -10.788 1.00 0.00 O ATOM 0 H ASP A 4 3.932 3.792 -9.517 1.00 0.00 H new ATOM 0 HA ASP A 4 4.994 2.139 -11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.600 2.837 -9.204 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.569 1.145 -9.659 1.00 0.00 H new ATOM 61 N PRO A 5 4.167 0.034 -10.296 1.00 0.00 N ATOM 62 CA PRO A 5 3.339 -1.033 -9.727 1.00 0.00 C ATOM 63 C PRO A 5 3.794 -1.440 -8.328 1.00 0.00 C ATOM 64 O PRO A 5 3.014 -1.985 -7.546 1.00 0.00 O ATOM 65 CB PRO A 5 3.533 -2.188 -10.709 1.00 0.00 C ATOM 66 CG PRO A 5 4.884 -1.961 -11.293 1.00 0.00 C ATOM 67 CD PRO A 5 5.068 -0.469 -11.352 1.00 0.00 C ATOM 0 HA PRO A 5 2.301 -0.724 -9.607 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.476 -3.152 -10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.762 -2.187 -11.480 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.657 -2.425 -10.680 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.958 -2.402 -12.287 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.103 -0.185 -11.164 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.801 -0.070 -12.331 1.00 0.00 H new ATOM 75 N THR A 6 5.059 -1.173 -8.019 1.00 0.00 N ATOM 76 CA THR A 6 5.618 -1.511 -6.715 1.00 0.00 C ATOM 77 C THR A 6 5.448 -0.358 -5.729 1.00 0.00 C ATOM 78 O THR A 6 6.375 -0.016 -4.994 1.00 0.00 O ATOM 79 CB THR A 6 7.099 -1.868 -6.849 1.00 0.00 C ATOM 80 OG1 THR A 6 7.859 -0.729 -7.212 1.00 0.00 O ATOM 81 CG2 THR A 6 7.365 -2.944 -7.881 1.00 0.00 C ATOM 0 H THR A 6 5.717 -0.723 -8.655 1.00 0.00 H new ATOM 0 HA THR A 6 5.075 -2.374 -6.330 1.00 0.00 H new ATOM 0 HB THR A 6 7.394 -2.245 -5.870 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.804 -0.978 -7.291 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.435 -3.149 -7.925 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.832 -3.854 -7.604 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.020 -2.605 -8.858 1.00 0.00 H new ATOM 89 N VAL A 7 4.260 0.238 -5.716 1.00 0.00 N ATOM 90 CA VAL A 7 3.974 1.351 -4.820 1.00 0.00 C ATOM 91 C VAL A 7 2.529 1.311 -4.328 1.00 0.00 C ATOM 92 O VAL A 7 1.792 0.366 -4.611 1.00 0.00 O ATOM 93 CB VAL A 7 4.242 2.703 -5.501 1.00 0.00 C ATOM 94 CG1 VAL A 7 5.652 2.751 -6.070 1.00 0.00 C ATOM 95 CG2 VAL A 7 3.214 2.943 -6.582 1.00 0.00 C ATOM 0 H VAL A 7 3.480 -0.032 -6.316 1.00 0.00 H new ATOM 0 HA VAL A 7 4.643 1.247 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 7 4.159 3.496 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.819 3.717 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.374 2.614 -5.265 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.774 1.957 -6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.408 3.902 -7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.274 2.147 -7.324 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.217 2.953 -6.141 1.00 0.00 H new ATOM 105 N LEU A 8 2.130 2.344 -3.592 1.00 0.00 N ATOM 106 CA LEU A 8 0.774 2.429 -3.063 1.00 0.00 C ATOM 107 C LEU A 8 0.324 3.883 -2.958 1.00 0.00 C ATOM 108 O LEU A 8 1.116 4.765 -2.628 1.00 0.00 O ATOM 109 CB LEU A 8 0.696 1.753 -1.691 1.00 0.00 C ATOM 110 CG LEU A 8 -0.571 0.933 -1.445 1.00 0.00 C ATOM 111 CD1 LEU A 8 -1.808 1.805 -1.588 1.00 0.00 C ATOM 112 CD2 LEU A 8 -0.634 -0.248 -2.402 1.00 0.00 C ATOM 0 H LEU A 8 2.727 3.134 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 8 0.106 1.911 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.561 1.100 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.769 2.520 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.540 0.548 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.700 1.204 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.767 2.617 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.846 2.220 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.542 -0.821 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.642 0.116 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.236 -0.886 -2.250 1.00 0.00 H new ATOM 124 N ARG A 9 -0.952 4.124 -3.244 1.00 0.00 N ATOM 125 CA ARG A 9 -1.510 5.470 -3.186 1.00 0.00 C ATOM 126 C ARG A 9 -2.977 5.432 -2.774 1.00 0.00 C ATOM 127 O ARG A 9 -3.723 4.540 -3.178 1.00 0.00 O ATOM 128 CB ARG A 9 -1.374 6.160 -4.547 1.00 0.00 C ATOM 129 CG ARG A 9 -0.004 6.774 -4.789 1.00 0.00 C ATOM 130 CD ARG A 9 0.497 6.482 -6.195 1.00 0.00 C ATOM 131 NE ARG A 9 1.841 7.011 -6.419 1.00 0.00 N ATOM 132 CZ ARG A 9 2.098 8.283 -6.717 1.00 0.00 C ATOM 133 NH1 ARG A 9 1.108 9.160 -6.825 1.00 0.00 N ATOM 134 NH2 ARG A 9 3.349 8.679 -6.908 1.00 0.00 N ATOM 0 H ARG A 9 -1.619 3.403 -3.519 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.952 6.035 -2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.581 5.435 -5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.131 6.941 -4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.055 7.852 -4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.705 6.382 -4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.499 5.405 -6.363 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.189 6.917 -6.922 1.00 0.00 H new ATOM 0 HE ARG A 9 2.629 6.368 -6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.144 8.861 -6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.311 10.133 -7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.114 8.009 -6.827 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.546 9.653 -7.136 1.00 0.00 H new ATOM 148 N SER A 10 -3.384 6.405 -1.966 1.00 0.00 N ATOM 149 CA SER A 10 -4.762 6.484 -1.496 1.00 0.00 C ATOM 150 C SER A 10 -5.710 6.836 -2.640 1.00 0.00 C ATOM 151 O SER A 10 -5.343 7.571 -3.557 1.00 0.00 O ATOM 152 CB SER A 10 -4.882 7.521 -0.376 1.00 0.00 C ATOM 153 OG SER A 10 -5.172 6.902 0.864 1.00 0.00 O ATOM 0 H SER A 10 -2.778 7.151 -1.623 1.00 0.00 H new ATOM 0 HA SER A 10 -5.044 5.506 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.952 8.084 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.667 8.236 -0.621 1.00 0.00 H new ATOM 0 HG SER A 10 -6.127 6.686 0.906 1.00 0.00 H new ATOM 159 N PRO A 11 -6.949 6.316 -2.600 1.00 0.00 N ATOM 160 CA PRO A 11 -7.950 6.581 -3.637 1.00 0.00 C ATOM 161 C PRO A 11 -8.522 7.992 -3.541 1.00 0.00 C ATOM 162 O PRO A 11 -8.959 8.566 -4.538 1.00 0.00 O ATOM 163 CB PRO A 11 -9.035 5.544 -3.350 1.00 0.00 C ATOM 164 CG PRO A 11 -8.930 5.286 -1.887 1.00 0.00 C ATOM 165 CD PRO A 11 -7.472 5.430 -1.542 1.00 0.00 C ATOM 0 HA PRO A 11 -7.529 6.512 -4.640 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.023 5.920 -3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.875 4.633 -3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.536 5.994 -1.322 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.292 4.288 -1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.336 5.865 -0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.964 4.466 -1.539 1.00 0.00 H new ATOM 173 N SER A 12 -8.515 8.546 -2.332 1.00 0.00 N ATOM 174 CA SER A 12 -9.032 9.890 -2.103 1.00 0.00 C ATOM 175 C SER A 12 -8.354 10.534 -0.898 1.00 0.00 C ATOM 176 O SER A 12 -7.617 9.877 -0.162 1.00 0.00 O ATOM 177 CB SER A 12 -10.545 9.847 -1.888 1.00 0.00 C ATOM 178 OG SER A 12 -10.887 8.961 -0.836 1.00 0.00 O ATOM 0 H SER A 12 -8.157 8.084 -1.496 1.00 0.00 H new ATOM 0 HA SER A 12 -8.815 10.492 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.911 10.848 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.037 9.531 -2.808 1.00 0.00 H new ATOM 0 HG SER A 12 -11.860 8.953 -0.718 1.00 0.00 H new ATOM 184 N ALA A 13 -8.607 11.824 -0.703 1.00 0.00 N ATOM 185 CA ALA A 13 -8.021 12.557 0.413 1.00 0.00 C ATOM 186 C ALA A 13 -8.721 12.217 1.724 1.00 0.00 C ATOM 187 O ALA A 13 -9.855 12.635 1.959 1.00 0.00 O ATOM 188 CB ALA A 13 -8.086 14.054 0.151 1.00 0.00 C ATOM 0 H ALA A 13 -9.214 12.383 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.977 12.258 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.645 14.590 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.533 14.288 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.126 14.358 0.032 1.00 0.00 H new ATOM 194 N GLY A 14 -8.039 11.457 2.574 1.00 0.00 N ATOM 195 CA GLY A 14 -8.612 11.074 3.852 1.00 0.00 C ATOM 196 C GLY A 14 -7.686 11.369 5.015 1.00 0.00 C ATOM 197 O GLY A 14 -7.151 12.473 5.128 1.00 0.00 O ATOM 0 H GLY A 14 -7.100 11.099 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.553 11.604 3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.844 10.009 3.838 1.00 0.00 H new ATOM 201 N LYS A 15 -7.495 10.381 5.882 1.00 0.00 N ATOM 202 CA LYS A 15 -6.627 10.538 7.044 1.00 0.00 C ATOM 203 C LYS A 15 -6.236 9.180 7.617 1.00 0.00 C ATOM 204 O LYS A 15 -7.057 8.266 7.688 1.00 0.00 O ATOM 205 CB LYS A 15 -7.323 11.376 8.118 1.00 0.00 C ATOM 206 CG LYS A 15 -6.398 11.815 9.241 1.00 0.00 C ATOM 207 CD LYS A 15 -6.599 10.973 10.491 1.00 0.00 C ATOM 208 CE LYS A 15 -7.519 11.663 11.485 1.00 0.00 C ATOM 209 NZ LYS A 15 -6.759 12.475 12.475 1.00 0.00 N ATOM 0 H LYS A 15 -7.930 9.462 5.802 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.721 11.052 6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.759 12.259 7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.146 10.799 8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.362 11.737 8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.580 12.864 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.019 10.006 10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.634 10.780 10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.217 12.305 10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.113 10.915 12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.423 12.929 13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.111 11.858 13.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.211 13.206 11.977 1.00 0.00 H new ATOM 223 N LEU A 16 -4.977 9.055 8.024 1.00 0.00 N ATOM 224 CA LEU A 16 -4.477 7.808 8.590 1.00 0.00 C ATOM 225 C LEU A 16 -5.129 7.525 9.941 1.00 0.00 C ATOM 226 O LEU A 16 -4.699 8.047 10.969 1.00 0.00 O ATOM 227 CB LEU A 16 -2.956 7.872 8.750 1.00 0.00 C ATOM 228 CG LEU A 16 -2.259 6.518 8.901 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.682 5.571 7.788 1.00 0.00 C ATOM 230 CD2 LEU A 16 -0.748 6.696 8.906 1.00 0.00 C ATOM 0 H LEU A 16 -4.285 9.802 7.972 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.731 6.998 7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.537 8.384 7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.724 8.481 9.623 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.558 6.081 9.854 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.176 4.614 7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.761 5.419 7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.413 6.001 6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.267 5.724 9.014 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.433 7.154 7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.460 7.338 9.739 1.00 0.00 H new ATOM 242 N THR A 17 -6.170 6.699 9.929 1.00 0.00 N ATOM 243 CA THR A 17 -6.883 6.350 11.153 1.00 0.00 C ATOM 244 C THR A 17 -6.090 5.347 11.987 1.00 0.00 C ATOM 245 O THR A 17 -6.027 5.459 13.212 1.00 0.00 O ATOM 246 CB THR A 17 -8.266 5.781 10.820 1.00 0.00 C ATOM 247 OG1 THR A 17 -9.055 5.667 11.991 1.00 0.00 O ATOM 248 CG2 THR A 17 -8.217 4.417 10.167 1.00 0.00 C ATOM 0 H THR A 17 -6.539 6.259 9.086 1.00 0.00 H new ATOM 0 HA THR A 17 -7.005 7.260 11.741 1.00 0.00 H new ATOM 0 HB THR A 17 -8.703 6.486 10.113 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.935 5.303 11.758 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.231 4.076 9.960 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.657 4.480 9.234 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.727 3.710 10.837 1.00 0.00 H new ATOM 256 N GLN A 18 -5.489 4.367 11.319 1.00 0.00 N ATOM 257 CA GLN A 18 -4.706 3.345 12.005 1.00 0.00 C ATOM 258 C GLN A 18 -3.872 2.539 11.011 1.00 0.00 C ATOM 259 O GLN A 18 -3.641 2.977 9.884 1.00 0.00 O ATOM 260 CB GLN A 18 -5.630 2.416 12.796 1.00 0.00 C ATOM 261 CG GLN A 18 -5.084 2.033 14.162 1.00 0.00 C ATOM 262 CD GLN A 18 -5.330 0.576 14.501 1.00 0.00 C ATOM 263 OE1 GLN A 18 -6.073 -0.118 13.807 1.00 0.00 O ATOM 264 NE2 GLN A 18 -4.704 0.104 15.573 1.00 0.00 N ATOM 0 H GLN A 18 -5.529 4.259 10.306 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.026 3.842 12.697 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.597 2.902 12.924 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.803 1.509 12.216 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.013 2.233 14.190 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.546 2.662 14.923 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.097 0.715 16.119 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.830 -0.870 15.850 1.00 0.00 H new ATOM 273 N TYR A 19 -3.421 1.361 11.434 1.00 0.00 N ATOM 274 CA TYR A 19 -2.613 0.500 10.579 1.00 0.00 C ATOM 275 C TYR A 19 -2.825 -0.970 10.927 1.00 0.00 C ATOM 276 O TYR A 19 -2.885 -1.338 12.100 1.00 0.00 O ATOM 277 CB TYR A 19 -1.133 0.857 10.715 1.00 0.00 C ATOM 278 CG TYR A 19 -0.645 0.885 12.146 1.00 0.00 C ATOM 279 CD1 TYR A 19 -0.209 -0.275 12.774 1.00 0.00 C ATOM 280 CD2 TYR A 19 -0.621 2.071 12.869 1.00 0.00 C ATOM 281 CE1 TYR A 19 0.237 -0.254 14.082 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.175 2.100 14.177 1.00 0.00 C ATOM 283 CZ TYR A 19 0.252 0.936 14.778 1.00 0.00 C ATOM 284 OH TYR A 19 0.696 0.961 16.081 1.00 0.00 O ATOM 0 H TYR A 19 -3.602 0.982 12.364 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.927 0.659 9.547 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.541 0.135 10.152 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.960 1.833 10.262 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.219 -1.209 12.231 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.956 2.985 12.402 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.572 -1.165 14.556 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.161 3.030 14.725 1.00 0.00 H new ATOM 0 HH TYR A 19 0.643 1.876 16.427 1.00 0.00 H new ATOM 294 N THR A 20 -2.937 -1.805 9.900 1.00 0.00 N ATOM 295 CA THR A 20 -3.143 -3.237 10.094 1.00 0.00 C ATOM 296 C THR A 20 -1.819 -3.999 10.051 1.00 0.00 C ATOM 297 O THR A 20 -1.755 -5.165 10.439 1.00 0.00 O ATOM 298 CB THR A 20 -4.095 -3.787 9.030 1.00 0.00 C ATOM 299 OG1 THR A 20 -3.407 -4.030 7.816 1.00 0.00 O ATOM 300 CG2 THR A 20 -5.254 -2.862 8.723 1.00 0.00 C ATOM 0 H THR A 20 -2.889 -1.515 8.923 1.00 0.00 H new ATOM 0 HA THR A 20 -3.586 -3.378 11.080 1.00 0.00 H new ATOM 0 HB THR A 20 -4.491 -4.711 9.451 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.972 -4.567 7.222 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.888 -3.314 7.961 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.837 -2.696 9.629 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.872 -1.909 8.358 1.00 0.00 H new ATOM 308 N VAL A 21 -0.765 -3.339 9.575 1.00 0.00 N ATOM 309 CA VAL A 21 0.548 -3.966 9.484 1.00 0.00 C ATOM 310 C VAL A 21 1.663 -2.939 9.648 1.00 0.00 C ATOM 311 O VAL A 21 1.565 -1.815 9.155 1.00 0.00 O ATOM 312 CB VAL A 21 0.731 -4.698 8.140 1.00 0.00 C ATOM 313 CG1 VAL A 21 -0.281 -5.826 8.005 1.00 0.00 C ATOM 314 CG2 VAL A 21 0.615 -3.723 6.976 1.00 0.00 C ATOM 0 H VAL A 21 -0.796 -2.373 9.248 1.00 0.00 H new ATOM 0 HA VAL A 21 0.606 -4.692 10.295 1.00 0.00 H new ATOM 0 HB VAL A 21 1.730 -5.132 8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.137 -6.332 7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.142 -6.539 8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.290 -5.417 8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.747 -4.260 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.369 -3.254 6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.384 -2.955 7.066 1.00 0.00 H new ATOM 324 N GLU A 22 2.724 -3.335 10.343 1.00 0.00 N ATOM 325 CA GLU A 22 3.862 -2.452 10.575 1.00 0.00 C ATOM 326 C GLU A 22 4.608 -2.172 9.275 1.00 0.00 C ATOM 327 O GLU A 22 4.182 -2.595 8.200 1.00 0.00 O ATOM 328 CB GLU A 22 4.815 -3.076 11.596 1.00 0.00 C ATOM 329 CG GLU A 22 5.414 -4.397 11.138 1.00 0.00 C ATOM 330 CD GLU A 22 6.912 -4.467 11.363 1.00 0.00 C ATOM 331 OE1 GLU A 22 7.654 -3.760 10.649 1.00 0.00 O ATOM 332 OE2 GLU A 22 7.344 -5.230 12.253 1.00 0.00 O ATOM 0 H GLU A 22 2.820 -4.263 10.756 1.00 0.00 H new ATOM 0 HA GLU A 22 3.484 -1.508 10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.622 -2.373 11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.279 -3.234 12.532 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.931 -5.215 11.672 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.202 -4.540 10.078 1.00 0.00 H new ATOM 339 N ASP A 23 5.725 -1.459 9.381 1.00 0.00 N ATOM 340 CA ASP A 23 6.533 -1.125 8.213 1.00 0.00 C ATOM 341 C ASP A 23 7.008 -2.391 7.507 1.00 0.00 C ATOM 342 O ASP A 23 7.487 -3.327 8.147 1.00 0.00 O ATOM 343 CB ASP A 23 7.735 -0.274 8.624 1.00 0.00 C ATOM 344 CG ASP A 23 7.404 1.205 8.679 1.00 0.00 C ATOM 345 OD1 ASP A 23 6.214 1.541 8.854 1.00 0.00 O ATOM 346 OD2 ASP A 23 8.335 2.027 8.547 1.00 0.00 O ATOM 0 H ASP A 23 6.091 -1.101 10.263 1.00 0.00 H new ATOM 0 HA ASP A 23 5.914 -0.553 7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.091 -0.601 9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.550 -0.435 7.918 1.00 0.00 H new ATOM 351 N GLY A 24 6.867 -2.415 6.186 1.00 0.00 N ATOM 352 CA GLY A 24 7.284 -3.574 5.420 1.00 0.00 C ATOM 353 C GLY A 24 6.444 -4.798 5.728 1.00 0.00 C ATOM 354 O GLY A 24 6.911 -5.929 5.593 1.00 0.00 O ATOM 0 H GLY A 24 6.472 -1.654 5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.216 -3.347 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.331 -3.791 5.634 1.00 0.00 H new ATOM 358 N GLY A 25 5.203 -4.571 6.145 1.00 0.00 N ATOM 359 CA GLY A 25 4.315 -5.672 6.470 1.00 0.00 C ATOM 360 C GLY A 25 3.944 -6.499 5.254 1.00 0.00 C ATOM 361 O GLY A 25 3.264 -6.014 4.349 1.00 0.00 O ATOM 0 H GLY A 25 4.796 -3.643 6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.794 -6.314 7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.408 -5.279 6.929 1.00 0.00 H new ATOM 365 N HIS A 26 4.391 -7.750 5.232 1.00 0.00 N ATOM 366 CA HIS A 26 4.101 -8.646 4.119 1.00 0.00 C ATOM 367 C HIS A 26 2.601 -8.880 3.987 1.00 0.00 C ATOM 368 O HIS A 26 1.955 -9.370 4.913 1.00 0.00 O ATOM 369 CB HIS A 26 4.823 -9.981 4.307 1.00 0.00 C ATOM 370 CG HIS A 26 4.466 -10.680 5.583 1.00 0.00 C ATOM 371 ND1 HIS A 26 5.088 -10.415 6.786 1.00 0.00 N ATOM 372 CD2 HIS A 26 3.545 -11.639 5.841 1.00 0.00 C ATOM 373 CE1 HIS A 26 4.565 -11.182 7.727 1.00 0.00 C ATOM 374 NE2 HIS A 26 3.627 -11.932 7.179 1.00 0.00 N ATOM 0 H HIS A 26 4.956 -8.166 5.972 1.00 0.00 H new ATOM 0 HA HIS A 26 4.460 -8.175 3.204 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.587 -10.634 3.466 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.899 -9.809 4.285 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.872 -12.089 5.127 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.856 -11.193 8.767 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.055 -12.619 7.671 1.00 0.00 H new ATOM 383 N VAL A 27 2.051 -8.524 2.830 1.00 0.00 N ATOM 384 CA VAL A 27 0.623 -8.696 2.583 1.00 0.00 C ATOM 385 C VAL A 27 0.347 -9.029 1.120 1.00 0.00 C ATOM 386 O VAL A 27 0.898 -8.403 0.215 1.00 0.00 O ATOM 387 CB VAL A 27 -0.170 -7.433 2.969 1.00 0.00 C ATOM 388 CG1 VAL A 27 -0.003 -7.128 4.450 1.00 0.00 C ATOM 389 CG2 VAL A 27 0.263 -6.245 2.121 1.00 0.00 C ATOM 0 H VAL A 27 2.569 -8.116 2.052 1.00 0.00 H new ATOM 0 HA VAL A 27 0.296 -9.528 3.207 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.226 -7.620 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.570 -6.233 4.703 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.370 -7.969 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.052 -6.964 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.310 -5.364 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.325 -6.055 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.084 -6.465 1.068 1.00 0.00 H new ATOM 399 N GLU A 28 -0.515 -10.016 0.898 1.00 0.00 N ATOM 400 CA GLU A 28 -0.873 -10.432 -0.453 1.00 0.00 C ATOM 401 C GLU A 28 -1.998 -9.563 -1.007 1.00 0.00 C ATOM 402 O GLU A 28 -2.654 -8.832 -0.266 1.00 0.00 O ATOM 403 CB GLU A 28 -1.295 -11.902 -0.461 1.00 0.00 C ATOM 404 CG GLU A 28 -2.590 -12.167 0.291 1.00 0.00 C ATOM 405 CD GLU A 28 -2.400 -13.095 1.475 1.00 0.00 C ATOM 406 OE1 GLU A 28 -1.394 -12.937 2.197 1.00 0.00 O ATOM 407 OE2 GLU A 28 -3.258 -13.979 1.679 1.00 0.00 O ATOM 0 H GLU A 28 -0.979 -10.543 1.638 1.00 0.00 H new ATOM 0 HA GLU A 28 0.003 -10.311 -1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.410 -12.233 -1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.499 -12.502 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.003 -11.220 0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.320 -12.601 -0.392 1.00 0.00 H new ATOM 414 N ALA A 29 -2.219 -9.651 -2.316 1.00 0.00 N ATOM 415 CA ALA A 29 -3.268 -8.876 -2.973 1.00 0.00 C ATOM 416 C ALA A 29 -4.594 -8.983 -2.224 1.00 0.00 C ATOM 417 O ALA A 29 -5.053 -10.081 -1.909 1.00 0.00 O ATOM 418 CB ALA A 29 -3.437 -9.334 -4.414 1.00 0.00 C ATOM 0 H ALA A 29 -1.685 -10.252 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.965 -7.829 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.222 -8.748 -4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.500 -9.193 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.710 -10.389 -4.431 1.00 0.00 H new ATOM 424 N GLY A 30 -5.205 -7.836 -1.944 1.00 0.00 N ATOM 425 CA GLY A 30 -6.473 -7.824 -1.238 1.00 0.00 C ATOM 426 C GLY A 30 -6.310 -7.612 0.255 1.00 0.00 C ATOM 427 O GLY A 30 -7.224 -7.125 0.921 1.00 0.00 O ATOM 0 H GLY A 30 -4.845 -6.915 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.104 -7.034 -1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.990 -8.767 -1.412 1.00 0.00 H new ATOM 431 N SER A 31 -5.147 -7.978 0.782 1.00 0.00 N ATOM 432 CA SER A 31 -4.872 -7.826 2.207 1.00 0.00 C ATOM 433 C SER A 31 -4.682 -6.357 2.572 1.00 0.00 C ATOM 434 O SER A 31 -3.865 -5.658 1.972 1.00 0.00 O ATOM 435 CB SER A 31 -3.626 -8.624 2.595 1.00 0.00 C ATOM 436 OG SER A 31 -3.218 -8.322 3.918 1.00 0.00 O ATOM 0 H SER A 31 -4.380 -8.382 0.245 1.00 0.00 H new ATOM 0 HA SER A 31 -5.729 -8.211 2.759 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.832 -9.691 2.509 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.816 -8.399 1.901 1.00 0.00 H new ATOM 0 HG SER A 31 -2.421 -8.846 4.142 1.00 0.00 H new ATOM 442 N SER A 32 -5.442 -5.895 3.560 1.00 0.00 N ATOM 443 CA SER A 32 -5.356 -4.509 4.006 1.00 0.00 C ATOM 444 C SER A 32 -4.010 -4.231 4.667 1.00 0.00 C ATOM 445 O SER A 32 -3.491 -5.060 5.415 1.00 0.00 O ATOM 446 CB SER A 32 -6.492 -4.193 4.980 1.00 0.00 C ATOM 447 OG SER A 32 -6.734 -5.283 5.853 1.00 0.00 O ATOM 0 H SER A 32 -6.124 -6.460 4.067 1.00 0.00 H new ATOM 0 HA SER A 32 -5.449 -3.866 3.131 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.240 -3.306 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.399 -3.961 4.422 1.00 0.00 H new ATOM 0 HG SER A 32 -7.463 -5.055 6.467 1.00 0.00 H new ATOM 453 N TYR A 33 -3.447 -3.060 4.384 1.00 0.00 N ATOM 454 CA TYR A 33 -2.159 -2.674 4.949 1.00 0.00 C ATOM 455 C TYR A 33 -2.317 -1.539 5.958 1.00 0.00 C ATOM 456 O TYR A 33 -1.478 -1.361 6.841 1.00 0.00 O ATOM 457 CB TYR A 33 -1.195 -2.257 3.837 1.00 0.00 C ATOM 458 CG TYR A 33 -1.608 -0.994 3.115 1.00 0.00 C ATOM 459 CD1 TYR A 33 -1.301 0.258 3.634 1.00 0.00 C ATOM 460 CD2 TYR A 33 -2.303 -1.054 1.914 1.00 0.00 C ATOM 461 CE1 TYR A 33 -1.676 1.414 2.977 1.00 0.00 C ATOM 462 CE2 TYR A 33 -2.682 0.098 1.251 1.00 0.00 C ATOM 463 CZ TYR A 33 -2.366 1.329 1.786 1.00 0.00 C ATOM 464 OH TYR A 33 -2.741 2.478 1.128 1.00 0.00 O ATOM 0 H TYR A 33 -3.863 -2.362 3.767 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.749 -3.539 5.471 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.203 -2.113 4.264 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.116 -3.069 3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.760 0.328 4.566 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.551 -2.016 1.491 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.430 2.379 3.394 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.223 0.034 0.318 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.095 3.190 1.318 1.00 0.00 H new ATOM 474 N ALA A 34 -3.397 -0.774 5.825 1.00 0.00 N ATOM 475 CA ALA A 34 -3.659 0.339 6.730 1.00 0.00 C ATOM 476 C ALA A 34 -5.037 0.937 6.483 1.00 0.00 C ATOM 477 O ALA A 34 -5.549 0.908 5.363 1.00 0.00 O ATOM 478 CB ALA A 34 -2.589 1.409 6.581 1.00 0.00 C ATOM 0 H ALA A 34 -4.103 -0.905 5.101 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.634 -0.047 7.749 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.800 2.232 7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.614 0.983 6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.585 1.780 5.556 1.00 0.00 H new ATOM 484 N GLU A 35 -5.633 1.480 7.538 1.00 0.00 N ATOM 485 CA GLU A 35 -6.954 2.089 7.442 1.00 0.00 C ATOM 486 C GLU A 35 -6.849 3.597 7.244 1.00 0.00 C ATOM 487 O GLU A 35 -5.798 4.193 7.482 1.00 0.00 O ATOM 488 CB GLU A 35 -7.771 1.784 8.699 1.00 0.00 C ATOM 489 CG GLU A 35 -7.983 0.298 8.941 1.00 0.00 C ATOM 490 CD GLU A 35 -7.887 -0.072 10.408 1.00 0.00 C ATOM 491 OE1 GLU A 35 -8.828 0.246 11.164 1.00 0.00 O ATOM 492 OE2 GLU A 35 -6.869 -0.681 10.800 1.00 0.00 O ATOM 0 H GLU A 35 -5.222 1.511 8.471 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.459 1.663 6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.267 2.216 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.742 2.273 8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.962 0.007 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.241 -0.268 8.378 1.00 0.00 H new ATOM 499 N MET A 36 -7.948 4.209 6.816 1.00 0.00 N ATOM 500 CA MET A 36 -7.983 5.650 6.596 1.00 0.00 C ATOM 501 C MET A 36 -9.398 6.190 6.780 1.00 0.00 C ATOM 502 O MET A 36 -10.317 5.815 6.052 1.00 0.00 O ATOM 503 CB MET A 36 -7.463 5.993 5.197 1.00 0.00 C ATOM 504 CG MET A 36 -8.386 5.551 4.072 1.00 0.00 C ATOM 505 SD MET A 36 -7.642 5.757 2.442 1.00 0.00 S ATOM 506 CE MET A 36 -8.388 7.299 1.921 1.00 0.00 C ATOM 0 H MET A 36 -8.826 3.730 6.615 1.00 0.00 H new ATOM 0 HA MET A 36 -7.335 6.122 7.334 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.314 7.071 5.129 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.488 5.527 5.058 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.652 4.504 4.216 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.312 6.125 4.120 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.154 7.480 0.872 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.469 7.241 2.047 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.996 8.116 2.527 1.00 0.00 H new ATOM 516 N GLU A 37 -9.567 7.069 7.762 1.00 0.00 N ATOM 517 CA GLU A 37 -10.871 7.656 8.044 1.00 0.00 C ATOM 518 C GLU A 37 -11.074 8.946 7.257 1.00 0.00 C ATOM 519 O GLU A 37 -10.545 9.997 7.619 1.00 0.00 O ATOM 520 CB GLU A 37 -11.016 7.932 9.542 1.00 0.00 C ATOM 521 CG GLU A 37 -12.446 8.214 9.973 1.00 0.00 C ATOM 522 CD GLU A 37 -12.708 9.691 10.193 1.00 0.00 C ATOM 523 OE1 GLU A 37 -11.793 10.390 10.677 1.00 0.00 O ATOM 524 OE2 GLU A 37 -13.828 10.148 9.882 1.00 0.00 O ATOM 0 H GLU A 37 -8.818 7.390 8.375 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.634 6.942 7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.640 7.074 10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.390 8.784 9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.131 7.836 9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.658 7.670 10.893 1.00 0.00 H new ATOM 531 N VAL A 38 -11.850 8.857 6.183 1.00 0.00 N ATOM 532 CA VAL A 38 -12.133 10.015 5.345 1.00 0.00 C ATOM 533 C VAL A 38 -13.406 10.715 5.816 1.00 0.00 C ATOM 534 O VAL A 38 -14.178 10.154 6.594 1.00 0.00 O ATOM 535 CB VAL A 38 -12.280 9.606 3.864 1.00 0.00 C ATOM 536 CG1 VAL A 38 -13.455 8.659 3.680 1.00 0.00 C ATOM 537 CG2 VAL A 38 -12.433 10.832 2.976 1.00 0.00 C ATOM 0 H VAL A 38 -12.295 7.993 5.872 1.00 0.00 H new ATOM 0 HA VAL A 38 -11.292 10.703 5.432 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.371 9.083 3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.540 8.384 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.296 7.762 4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -14.373 9.151 4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.535 10.518 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.320 11.390 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.553 11.468 3.078 1.00 0.00 H new ATOM 547 N MET A 39 -13.620 11.942 5.351 1.00 0.00 N ATOM 548 CA MET A 39 -14.799 12.709 5.741 1.00 0.00 C ATOM 549 C MET A 39 -16.084 11.943 5.436 1.00 0.00 C ATOM 550 O MET A 39 -17.123 12.190 6.048 1.00 0.00 O ATOM 551 CB MET A 39 -14.815 14.059 5.021 1.00 0.00 C ATOM 552 CG MET A 39 -13.471 14.769 5.028 1.00 0.00 C ATOM 553 SD MET A 39 -13.632 16.559 5.174 1.00 0.00 S ATOM 554 CE MET A 39 -13.618 16.756 6.954 1.00 0.00 C ATOM 0 H MET A 39 -12.995 12.425 4.706 1.00 0.00 H new ATOM 0 HA MET A 39 -14.748 12.875 6.817 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.131 13.907 3.989 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.559 14.703 5.490 1.00 0.00 H new ATOM 0 HG2 MET A 39 -12.870 14.393 5.856 1.00 0.00 H new ATOM 0 HG3 MET A 39 -12.933 14.530 4.110 1.00 0.00 H new ATOM 0 HE1 MET A 39 -13.710 17.813 7.204 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.454 16.206 7.387 1.00 0.00 H new ATOM 0 HE3 MET A 39 -12.682 16.369 7.356 1.00 0.00 H new ATOM 564 N LYS A 40 -16.008 11.010 4.492 1.00 0.00 N ATOM 565 CA LYS A 40 -17.168 10.211 4.118 1.00 0.00 C ATOM 566 C LYS A 40 -17.431 9.118 5.150 1.00 0.00 C ATOM 567 O LYS A 40 -18.348 9.225 5.964 1.00 0.00 O ATOM 568 CB LYS A 40 -16.959 9.586 2.737 1.00 0.00 C ATOM 569 CG LYS A 40 -17.365 10.497 1.589 1.00 0.00 C ATOM 570 CD LYS A 40 -16.197 11.342 1.109 1.00 0.00 C ATOM 571 CE LYS A 40 -16.349 11.722 -0.355 1.00 0.00 C ATOM 572 NZ LYS A 40 -16.254 10.535 -1.249 1.00 0.00 N ATOM 0 H LYS A 40 -15.158 10.790 3.974 1.00 0.00 H new ATOM 0 HA LYS A 40 -18.036 10.869 4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -15.908 9.319 2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.532 8.661 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.744 9.896 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.179 11.148 1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -16.127 12.245 1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.267 10.791 1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.310 12.213 -0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.577 12.443 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.924 10.834 -2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.581 9.851 -0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.190 10.090 -1.336 1.00 0.00 H new ATOM 586 N MET A 41 -16.618 8.067 5.111 1.00 0.00 N ATOM 587 CA MET A 41 -16.757 6.952 6.039 1.00 0.00 C ATOM 588 C MET A 41 -15.406 6.273 6.265 1.00 0.00 C ATOM 589 O MET A 41 -14.429 6.573 5.579 1.00 0.00 O ATOM 590 CB MET A 41 -17.803 5.955 5.506 1.00 0.00 C ATOM 591 CG MET A 41 -17.313 4.519 5.381 1.00 0.00 C ATOM 592 SD MET A 41 -18.493 3.454 4.530 1.00 0.00 S ATOM 593 CE MET A 41 -17.783 1.841 4.846 1.00 0.00 C ATOM 0 H MET A 41 -15.853 7.965 4.444 1.00 0.00 H new ATOM 0 HA MET A 41 -17.103 7.328 7.002 1.00 0.00 H new ATOM 0 HB2 MET A 41 -18.670 5.972 6.167 1.00 0.00 H new ATOM 0 HB3 MET A 41 -18.142 6.295 4.527 1.00 0.00 H new ATOM 0 HG2 MET A 41 -16.365 4.508 4.842 1.00 0.00 H new ATOM 0 HG3 MET A 41 -17.119 4.118 6.376 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.402 1.074 4.381 1.00 0.00 H new ATOM 0 HE2 MET A 41 -16.777 1.798 4.428 1.00 0.00 H new ATOM 0 HE3 MET A 41 -17.737 1.668 5.921 1.00 0.00 H new ATOM 603 N ILE A 42 -15.357 5.357 7.227 1.00 0.00 N ATOM 604 CA ILE A 42 -14.126 4.640 7.534 1.00 0.00 C ATOM 605 C ILE A 42 -13.902 3.502 6.542 1.00 0.00 C ATOM 606 O ILE A 42 -14.836 2.782 6.188 1.00 0.00 O ATOM 607 CB ILE A 42 -14.150 4.069 8.967 1.00 0.00 C ATOM 608 CG1 ILE A 42 -12.821 3.385 9.295 1.00 0.00 C ATOM 609 CG2 ILE A 42 -15.308 3.096 9.132 1.00 0.00 C ATOM 610 CD1 ILE A 42 -11.619 4.290 9.135 1.00 0.00 C ATOM 0 H ILE A 42 -16.155 5.095 7.806 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.307 5.356 7.456 1.00 0.00 H new ATOM 0 HB ILE A 42 -14.292 4.894 9.665 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -12.855 3.017 10.320 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.700 2.516 8.648 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.310 2.702 10.148 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -16.248 3.614 8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.196 2.274 8.425 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.713 3.738 9.384 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.560 4.638 8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -11.717 5.147 9.802 1.00 0.00 H new ATOM 622 N MET A 43 -12.661 3.348 6.092 1.00 0.00 N ATOM 623 CA MET A 43 -12.323 2.300 5.135 1.00 0.00 C ATOM 624 C MET A 43 -10.923 1.750 5.390 1.00 0.00 C ATOM 625 O MET A 43 -10.149 2.324 6.157 1.00 0.00 O ATOM 626 CB MET A 43 -12.421 2.840 3.706 1.00 0.00 C ATOM 627 CG MET A 43 -11.375 3.895 3.379 1.00 0.00 C ATOM 628 SD MET A 43 -11.956 5.098 2.168 1.00 0.00 S ATOM 629 CE MET A 43 -11.030 4.596 0.720 1.00 0.00 C ATOM 0 H MET A 43 -11.875 3.934 6.373 1.00 0.00 H new ATOM 0 HA MET A 43 -13.036 1.485 5.262 1.00 0.00 H new ATOM 0 HB2 MET A 43 -12.319 2.011 3.006 1.00 0.00 H new ATOM 0 HB3 MET A 43 -13.413 3.265 3.555 1.00 0.00 H new ATOM 0 HG2 MET A 43 -11.091 4.415 4.294 1.00 0.00 H new ATOM 0 HG3 MET A 43 -10.478 3.406 2.998 1.00 0.00 H new ATOM 0 HE1 MET A 43 -11.371 5.165 -0.145 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.969 4.785 0.883 1.00 0.00 H new ATOM 0 HE3 MET A 43 -11.186 3.532 0.539 1.00 0.00 H new ATOM 639 N THR A 44 -10.605 0.635 4.740 1.00 0.00 N ATOM 640 CA THR A 44 -9.298 0.004 4.893 1.00 0.00 C ATOM 641 C THR A 44 -8.577 -0.087 3.552 1.00 0.00 C ATOM 642 O THR A 44 -9.168 -0.469 2.542 1.00 0.00 O ATOM 643 CB THR A 44 -9.447 -1.393 5.502 1.00 0.00 C ATOM 644 OG1 THR A 44 -10.734 -1.559 6.070 1.00 0.00 O ATOM 645 CG2 THR A 44 -8.428 -1.686 6.581 1.00 0.00 C ATOM 0 H THR A 44 -11.235 0.149 4.102 1.00 0.00 H new ATOM 0 HA THR A 44 -8.702 0.622 5.565 1.00 0.00 H new ATOM 0 HB THR A 44 -9.288 -2.086 4.676 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.809 -2.458 6.452 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.589 -2.691 6.970 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.424 -1.616 6.162 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.535 -0.962 7.389 1.00 0.00 H new ATOM 653 N LEU A 45 -7.295 0.266 3.549 1.00 0.00 N ATOM 654 CA LEU A 45 -6.493 0.222 2.332 1.00 0.00 C ATOM 655 C LEU A 45 -5.771 -1.115 2.205 1.00 0.00 C ATOM 656 O LEU A 45 -5.271 -1.657 3.190 1.00 0.00 O ATOM 657 CB LEU A 45 -5.475 1.364 2.321 1.00 0.00 C ATOM 658 CG LEU A 45 -6.078 2.771 2.341 1.00 0.00 C ATOM 659 CD1 LEU A 45 -5.951 3.390 3.727 1.00 0.00 C ATOM 660 CD2 LEU A 45 -5.410 3.656 1.297 1.00 0.00 C ATOM 0 H LEU A 45 -6.790 0.585 4.376 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.166 0.336 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.819 1.254 3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.851 1.265 1.433 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.137 2.692 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.385 4.390 3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.478 2.770 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.898 3.454 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.853 4.652 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.343 3.727 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.556 3.224 0.307 1.00 0.00 H new ATOM 672 N ASN A 46 -5.719 -1.640 0.985 1.00 0.00 N ATOM 673 CA ASN A 46 -5.055 -2.915 0.728 1.00 0.00 C ATOM 674 C ASN A 46 -4.145 -2.817 -0.491 1.00 0.00 C ATOM 675 O ASN A 46 -4.119 -1.797 -1.179 1.00 0.00 O ATOM 676 CB ASN A 46 -6.087 -4.030 0.521 1.00 0.00 C ATOM 677 CG ASN A 46 -7.361 -3.538 -0.141 1.00 0.00 C ATOM 678 OD1 ASN A 46 -8.455 -3.693 0.401 1.00 0.00 O ATOM 679 ND2 ASN A 46 -7.224 -2.942 -1.320 1.00 0.00 N ATOM 0 H ASN A 46 -6.128 -1.203 0.159 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.446 -3.156 1.599 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.646 -4.818 -0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.333 -4.475 1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.045 -2.591 -1.813 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.297 -2.835 -1.733 1.00 0.00 H new ATOM 686 N VAL A 47 -3.398 -3.885 -0.753 1.00 0.00 N ATOM 687 CA VAL A 47 -2.486 -3.920 -1.890 1.00 0.00 C ATOM 688 C VAL A 47 -3.163 -4.524 -3.117 1.00 0.00 C ATOM 689 O VAL A 47 -4.072 -5.345 -2.995 1.00 0.00 O ATOM 690 CB VAL A 47 -1.211 -4.723 -1.567 1.00 0.00 C ATOM 691 CG1 VAL A 47 -0.477 -4.107 -0.386 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.546 -6.183 -1.292 1.00 0.00 C ATOM 0 H VAL A 47 -3.407 -4.738 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.207 -2.888 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.554 -4.685 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.421 -4.687 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.197 -3.081 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.128 -4.110 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.631 -6.730 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.225 -6.247 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.022 -6.619 -2.170 1.00 0.00 H new ATOM 702 N GLN A 48 -2.716 -4.110 -4.298 1.00 0.00 N ATOM 703 CA GLN A 48 -3.283 -4.610 -5.546 1.00 0.00 C ATOM 704 C GLN A 48 -2.619 -5.919 -5.977 1.00 0.00 C ATOM 705 O GLN A 48 -3.132 -6.624 -6.845 1.00 0.00 O ATOM 706 CB GLN A 48 -3.148 -3.558 -6.654 1.00 0.00 C ATOM 707 CG GLN A 48 -1.729 -3.386 -7.183 1.00 0.00 C ATOM 708 CD GLN A 48 -0.880 -2.494 -6.300 1.00 0.00 C ATOM 709 OE1 GLN A 48 -1.016 -1.271 -6.319 1.00 0.00 O ATOM 710 NE2 GLN A 48 0.005 -3.105 -5.520 1.00 0.00 N ATOM 0 H GLN A 48 -1.964 -3.431 -4.418 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.340 -4.811 -5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.802 -3.833 -7.482 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.501 -2.599 -6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.256 -4.364 -7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.769 -2.964 -8.187 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.083 -4.122 -5.537 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.606 -2.557 -4.904 1.00 0.00 H new ATOM 719 N GLU A 49 -1.479 -6.238 -5.370 1.00 0.00 N ATOM 720 CA GLU A 49 -0.759 -7.462 -5.704 1.00 0.00 C ATOM 721 C GLU A 49 0.109 -7.922 -4.537 1.00 0.00 C ATOM 722 O GLU A 49 0.222 -7.234 -3.523 1.00 0.00 O ATOM 723 CB GLU A 49 0.109 -7.245 -6.945 1.00 0.00 C ATOM 724 CG GLU A 49 -0.685 -7.194 -8.240 1.00 0.00 C ATOM 725 CD GLU A 49 0.201 -7.047 -9.461 1.00 0.00 C ATOM 726 OE1 GLU A 49 1.186 -7.807 -9.576 1.00 0.00 O ATOM 727 OE2 GLU A 49 -0.089 -6.171 -10.303 1.00 0.00 O ATOM 0 H GLU A 49 -1.036 -5.669 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.494 -8.239 -5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.664 -6.314 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.843 -8.048 -7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.279 -8.103 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.384 -6.359 -8.200 1.00 0.00 H new ATOM 734 N ARG A 50 0.720 -9.092 -4.691 1.00 0.00 N ATOM 735 CA ARG A 50 1.579 -9.649 -3.653 1.00 0.00 C ATOM 736 C ARG A 50 2.850 -8.820 -3.496 1.00 0.00 C ATOM 737 O ARG A 50 3.509 -8.483 -4.479 1.00 0.00 O ATOM 738 CB ARG A 50 1.939 -11.098 -3.983 1.00 0.00 C ATOM 739 CG ARG A 50 0.879 -12.101 -3.556 1.00 0.00 C ATOM 740 CD ARG A 50 -0.255 -12.176 -4.566 1.00 0.00 C ATOM 741 NE ARG A 50 0.077 -13.036 -5.699 1.00 0.00 N ATOM 742 CZ ARG A 50 -0.640 -13.096 -6.819 1.00 0.00 C ATOM 743 NH1 ARG A 50 -1.728 -12.349 -6.960 1.00 0.00 N ATOM 744 NH2 ARG A 50 -0.268 -13.904 -7.802 1.00 0.00 N ATOM 0 H ARG A 50 0.636 -9.673 -5.525 1.00 0.00 H new ATOM 0 HA ARG A 50 1.031 -9.624 -2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.100 -11.188 -5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.882 -11.349 -3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.333 -13.086 -3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.481 -11.819 -2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.153 -12.553 -4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.486 -11.174 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 50 0.907 -13.625 -5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.019 -11.725 -6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.273 -12.399 -7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.568 -14.480 -7.700 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.818 -13.950 -8.660 1.00 0.00 H new ATOM 758 N GLY A 51 3.187 -8.494 -2.252 1.00 0.00 N ATOM 759 CA GLY A 51 4.376 -7.707 -1.988 1.00 0.00 C ATOM 760 C GLY A 51 4.382 -7.131 -0.587 1.00 0.00 C ATOM 761 O GLY A 51 3.377 -7.194 0.120 1.00 0.00 O ATOM 0 H GLY A 51 2.657 -8.761 -1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.260 -8.330 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.441 -6.896 -2.713 1.00 0.00 H new ATOM 765 N ARG A 52 5.517 -6.572 -0.181 1.00 0.00 N ATOM 766 CA ARG A 52 5.642 -5.991 1.147 1.00 0.00 C ATOM 767 C ARG A 52 5.326 -4.502 1.128 1.00 0.00 C ATOM 768 O ARG A 52 5.889 -3.743 0.339 1.00 0.00 O ATOM 769 CB ARG A 52 7.047 -6.225 1.690 1.00 0.00 C ATOM 770 CG ARG A 52 7.221 -7.598 2.308 1.00 0.00 C ATOM 771 CD ARG A 52 8.307 -7.596 3.366 1.00 0.00 C ATOM 772 NE ARG A 52 9.125 -8.806 3.314 1.00 0.00 N ATOM 773 CZ ARG A 52 10.294 -8.937 3.938 1.00 0.00 C ATOM 774 NH1 ARG A 52 10.785 -7.938 4.661 1.00 0.00 N ATOM 775 NH2 ARG A 52 10.974 -10.071 3.838 1.00 0.00 N ATOM 0 H ARG A 52 6.360 -6.510 -0.752 1.00 0.00 H new ATOM 0 HA ARG A 52 4.920 -6.480 1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.768 -6.102 0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.273 -5.465 2.438 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.279 -7.921 2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.470 -8.320 1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.944 -6.722 3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.852 -7.508 4.353 1.00 0.00 H new ATOM 0 HE ARG A 52 8.781 -9.596 2.768 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.266 -7.063 4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.681 -8.045 5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.602 -10.842 3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.870 -10.172 4.316 1.00 0.00 H new ATOM 789 N VAL A 53 4.417 -4.096 2.005 1.00 0.00 N ATOM 790 CA VAL A 53 4.012 -2.699 2.098 1.00 0.00 C ATOM 791 C VAL A 53 4.973 -1.899 2.970 1.00 0.00 C ATOM 792 O VAL A 53 5.258 -2.276 4.106 1.00 0.00 O ATOM 793 CB VAL A 53 2.586 -2.565 2.666 1.00 0.00 C ATOM 794 CG1 VAL A 53 2.125 -1.116 2.626 1.00 0.00 C ATOM 795 CG2 VAL A 53 1.624 -3.459 1.900 1.00 0.00 C ATOM 0 H VAL A 53 3.945 -4.716 2.664 1.00 0.00 H new ATOM 0 HA VAL A 53 4.032 -2.298 1.085 1.00 0.00 H new ATOM 0 HB VAL A 53 2.598 -2.887 3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.116 -1.044 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.800 -0.503 3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.128 -0.762 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.621 -3.353 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.616 -3.169 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.944 -4.497 1.987 1.00 0.00 H new ATOM 805 N LYS A 54 5.463 -0.787 2.432 1.00 0.00 N ATOM 806 CA LYS A 54 6.386 0.075 3.161 1.00 0.00 C ATOM 807 C LYS A 54 5.770 1.452 3.380 1.00 0.00 C ATOM 808 O LYS A 54 5.570 2.211 2.434 1.00 0.00 O ATOM 809 CB LYS A 54 7.707 0.206 2.400 1.00 0.00 C ATOM 810 CG LYS A 54 8.220 -1.109 1.837 1.00 0.00 C ATOM 811 CD LYS A 54 9.674 -1.002 1.407 1.00 0.00 C ATOM 812 CE LYS A 54 9.819 -0.190 0.130 1.00 0.00 C ATOM 813 NZ LYS A 54 9.564 -1.013 -1.084 1.00 0.00 N ATOM 0 H LYS A 54 5.236 -0.461 1.492 1.00 0.00 H new ATOM 0 HA LYS A 54 6.584 -0.378 4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.576 0.915 1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.461 0.624 3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.119 -1.892 2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.608 -1.404 0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.257 -0.538 2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.083 -2.000 1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.123 0.649 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.823 0.230 0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.673 -0.422 -1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.244 -1.799 -1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.597 -1.393 -1.049 1.00 0.00 H new ATOM 827 N TYR A 55 5.463 1.763 4.634 1.00 0.00 N ATOM 828 CA TYR A 55 4.859 3.046 4.982 1.00 0.00 C ATOM 829 C TYR A 55 5.737 4.215 4.543 1.00 0.00 C ATOM 830 O TYR A 55 6.949 4.210 4.755 1.00 0.00 O ATOM 831 CB TYR A 55 4.611 3.120 6.490 1.00 0.00 C ATOM 832 CG TYR A 55 3.293 2.515 6.918 1.00 0.00 C ATOM 833 CD1 TYR A 55 2.825 1.341 6.340 1.00 0.00 C ATOM 834 CD2 TYR A 55 2.517 3.119 7.899 1.00 0.00 C ATOM 835 CE1 TYR A 55 1.621 0.786 6.729 1.00 0.00 C ATOM 836 CE2 TYR A 55 1.312 2.569 8.293 1.00 0.00 C ATOM 837 CZ TYR A 55 0.869 1.403 7.705 1.00 0.00 C ATOM 838 OH TYR A 55 -0.330 0.853 8.095 1.00 0.00 O ATOM 0 H TYR A 55 5.622 1.144 5.429 1.00 0.00 H new ATOM 0 HA TYR A 55 3.909 3.120 4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.422 2.608 7.008 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.641 4.163 6.804 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.412 0.855 5.575 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.861 4.033 8.361 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.271 -0.127 6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.720 3.050 9.058 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.437 -0.028 7.679 1.00 0.00 H new ATOM 848 N ILE A 56 5.109 5.222 3.942 1.00 0.00 N ATOM 849 CA ILE A 56 5.821 6.409 3.483 1.00 0.00 C ATOM 850 C ILE A 56 5.504 7.598 4.385 1.00 0.00 C ATOM 851 O ILE A 56 6.398 8.197 4.982 1.00 0.00 O ATOM 852 CB ILE A 56 5.463 6.750 2.014 1.00 0.00 C ATOM 853 CG1 ILE A 56 6.379 5.990 1.053 1.00 0.00 C ATOM 854 CG2 ILE A 56 5.561 8.250 1.752 1.00 0.00 C ATOM 855 CD1 ILE A 56 6.372 4.492 1.264 1.00 0.00 C ATOM 0 H ILE A 56 4.105 5.239 3.762 1.00 0.00 H new ATOM 0 HA ILE A 56 6.889 6.196 3.531 1.00 0.00 H new ATOM 0 HB ILE A 56 4.431 6.443 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.075 6.205 0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.398 6.360 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.304 8.455 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.871 8.780 2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.579 8.588 1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.044 4.020 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.705 4.266 2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.362 4.109 1.120 1.00 0.00 H new ATOM 867 N LYS A 57 4.223 7.929 4.477 1.00 0.00 N ATOM 868 CA LYS A 57 3.773 9.041 5.302 1.00 0.00 C ATOM 869 C LYS A 57 3.880 8.695 6.785 1.00 0.00 C ATOM 870 O LYS A 57 4.174 7.556 7.147 1.00 0.00 O ATOM 871 CB LYS A 57 2.330 9.397 4.946 1.00 0.00 C ATOM 872 CG LYS A 57 2.178 10.774 4.320 1.00 0.00 C ATOM 873 CD LYS A 57 2.696 11.867 5.242 1.00 0.00 C ATOM 874 CE LYS A 57 2.390 13.250 4.692 1.00 0.00 C ATOM 875 NZ LYS A 57 0.981 13.363 4.224 1.00 0.00 N ATOM 0 H LYS A 57 3.474 7.440 3.987 1.00 0.00 H new ATOM 0 HA LYS A 57 4.414 9.901 5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.940 8.649 4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.720 9.348 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.720 10.807 3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.128 10.957 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.244 11.758 6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.773 11.756 5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.577 13.997 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.066 13.469 3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.666 14.351 4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.920 13.062 3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.371 12.755 4.808 1.00 0.00 H new ATOM 889 N ARG A 58 3.639 9.685 7.637 1.00 0.00 N ATOM 890 CA ARG A 58 3.706 9.484 9.080 1.00 0.00 C ATOM 891 C ARG A 58 2.333 9.125 9.644 1.00 0.00 C ATOM 892 O ARG A 58 1.312 9.320 8.985 1.00 0.00 O ATOM 893 CB ARG A 58 4.241 10.743 9.767 1.00 0.00 C ATOM 894 CG ARG A 58 5.744 10.716 9.999 1.00 0.00 C ATOM 895 CD ARG A 58 6.106 11.248 11.377 1.00 0.00 C ATOM 896 NE ARG A 58 6.035 12.706 11.436 1.00 0.00 N ATOM 897 CZ ARG A 58 6.521 13.432 12.441 1.00 0.00 C ATOM 898 NH1 ARG A 58 7.113 12.839 13.470 1.00 0.00 N ATOM 899 NH2 ARG A 58 6.414 14.753 12.415 1.00 0.00 N ATOM 0 H ARG A 58 3.396 10.634 7.354 1.00 0.00 H new ATOM 0 HA ARG A 58 4.387 8.655 9.276 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.991 11.613 9.160 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.736 10.867 10.725 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.111 9.695 9.894 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.242 11.313 9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.431 10.822 12.119 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.113 10.923 11.638 1.00 0.00 H new ATOM 0 HE ARG A 58 5.587 13.197 10.662 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.197 11.823 13.494 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.484 13.399 14.237 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.960 15.212 11.626 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.786 15.310 13.184 1.00 0.00 H new ATOM 913 N PRO A 59 2.291 8.595 10.879 1.00 0.00 N ATOM 914 CA PRO A 59 1.033 8.211 11.530 1.00 0.00 C ATOM 915 C PRO A 59 0.160 9.417 11.854 1.00 0.00 C ATOM 916 O PRO A 59 0.624 10.394 12.442 1.00 0.00 O ATOM 917 CB PRO A 59 1.491 7.518 12.817 1.00 0.00 C ATOM 918 CG PRO A 59 2.848 8.070 13.084 1.00 0.00 C ATOM 919 CD PRO A 59 3.460 8.331 11.737 1.00 0.00 C ATOM 0 HA PRO A 59 0.419 7.579 10.889 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.810 7.726 13.642 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.521 6.435 12.694 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.788 8.987 13.670 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.451 7.365 13.657 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.141 9.182 11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.034 7.474 11.383 1.00 0.00 H new ATOM 927 N GLY A 60 -1.108 9.343 11.462 1.00 0.00 N ATOM 928 CA GLY A 60 -2.029 10.435 11.715 1.00 0.00 C ATOM 929 C GLY A 60 -2.034 11.468 10.602 1.00 0.00 C ATOM 930 O GLY A 60 -2.931 12.309 10.532 1.00 0.00 O ATOM 0 H GLY A 60 -1.514 8.545 10.973 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.035 10.035 11.838 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.762 10.920 12.654 1.00 0.00 H new ATOM 934 N ALA A 61 -1.030 11.409 9.730 1.00 0.00 N ATOM 935 CA ALA A 61 -0.922 12.347 8.618 1.00 0.00 C ATOM 936 C ALA A 61 -2.177 12.328 7.751 1.00 0.00 C ATOM 937 O ALA A 61 -2.838 11.298 7.621 1.00 0.00 O ATOM 938 CB ALA A 61 0.304 12.025 7.778 1.00 0.00 C ATOM 0 H ALA A 61 -0.279 10.720 9.773 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.817 13.350 9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.374 12.732 6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.199 12.100 8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.219 11.012 7.384 1.00 0.00 H new ATOM 944 N VAL A 62 -2.495 13.473 7.156 1.00 0.00 N ATOM 945 CA VAL A 62 -3.665 13.587 6.296 1.00 0.00 C ATOM 946 C VAL A 62 -3.388 12.997 4.918 1.00 0.00 C ATOM 947 O VAL A 62 -2.431 13.384 4.247 1.00 0.00 O ATOM 948 CB VAL A 62 -4.105 15.055 6.134 1.00 0.00 C ATOM 949 CG1 VAL A 62 -5.434 15.137 5.398 1.00 0.00 C ATOM 950 CG2 VAL A 62 -4.197 15.737 7.491 1.00 0.00 C ATOM 0 H VAL A 62 -1.958 14.335 7.254 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.468 13.028 6.776 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.354 15.576 5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.728 16.181 5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.331 14.688 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.196 14.600 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.509 16.773 7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.926 15.216 8.112 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.222 15.712 7.978 1.00 0.00 H new ATOM 960 N LEU A 63 -4.228 12.056 4.502 1.00 0.00 N ATOM 961 CA LEU A 63 -4.072 11.410 3.205 1.00 0.00 C ATOM 962 C LEU A 63 -4.698 12.251 2.098 1.00 0.00 C ATOM 963 O LEU A 63 -5.761 12.845 2.280 1.00 0.00 O ATOM 964 CB LEU A 63 -4.706 10.016 3.229 1.00 0.00 C ATOM 965 CG LEU A 63 -3.740 8.869 3.534 1.00 0.00 C ATOM 966 CD1 LEU A 63 -2.942 9.160 4.796 1.00 0.00 C ATOM 967 CD2 LEU A 63 -4.500 7.558 3.673 1.00 0.00 C ATOM 0 H LEU A 63 -5.025 11.723 5.045 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.006 11.313 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.501 10.008 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.173 9.830 2.262 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.041 8.778 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.261 8.332 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.368 10.077 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.624 9.280 5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.799 6.752 3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.221 7.640 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.025 7.341 2.743 1.00 0.00 H new ATOM 979 N GLU A 64 -4.031 12.297 0.949 1.00 0.00 N ATOM 980 CA GLU A 64 -4.520 13.064 -0.191 1.00 0.00 C ATOM 981 C GLU A 64 -4.739 12.160 -1.400 1.00 0.00 C ATOM 982 O GLU A 64 -3.998 11.200 -1.612 1.00 0.00 O ATOM 983 CB GLU A 64 -3.533 14.178 -0.544 1.00 0.00 C ATOM 984 CG GLU A 64 -3.028 14.949 0.665 1.00 0.00 C ATOM 985 CD GLU A 64 -4.098 15.828 1.283 1.00 0.00 C ATOM 986 OE1 GLU A 64 -4.921 15.302 2.062 1.00 0.00 O ATOM 987 OE2 GLU A 64 -4.113 17.041 0.988 1.00 0.00 O ATOM 0 H GLU A 64 -3.149 11.812 0.783 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.476 13.510 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.682 13.745 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.013 14.873 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.663 14.246 1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.181 15.568 0.369 1.00 0.00 H new ATOM 994 N ALA A 65 -5.761 12.474 -2.190 1.00 0.00 N ATOM 995 CA ALA A 65 -6.077 11.689 -3.377 1.00 0.00 C ATOM 996 C ALA A 65 -4.923 11.713 -4.374 1.00 0.00 C ATOM 997 O ALA A 65 -4.708 12.708 -5.066 1.00 0.00 O ATOM 998 CB ALA A 65 -7.350 12.208 -4.028 1.00 0.00 C ATOM 0 H ALA A 65 -6.384 13.266 -2.029 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.235 10.656 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.575 11.613 -4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.177 12.133 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.212 13.250 -4.317 1.00 0.00 H new ATOM 1004 N GLY A 66 -4.184 10.610 -4.443 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.062 10.525 -5.359 1.00 0.00 C ATOM 1006 C GLY A 66 -1.727 10.453 -4.643 1.00 0.00 C ATOM 1007 O GLY A 66 -0.748 9.947 -5.191 1.00 0.00 O ATOM 0 H GLY A 66 -4.342 9.774 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.179 9.644 -5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.070 11.393 -6.018 1.00 0.00 H new ATOM 1011 N CYS A 67 -1.685 10.963 -3.416 1.00 0.00 N ATOM 1012 CA CYS A 67 -0.459 10.954 -2.627 1.00 0.00 C ATOM 1013 C CYS A 67 -0.030 9.527 -2.301 1.00 0.00 C ATOM 1014 O CYS A 67 -0.864 8.631 -2.174 1.00 0.00 O ATOM 1015 CB CYS A 67 -0.654 11.747 -1.333 1.00 0.00 C ATOM 1016 SG CYS A 67 0.827 11.855 -0.303 1.00 0.00 S ATOM 0 H CYS A 67 -2.485 11.387 -2.947 1.00 0.00 H new ATOM 0 HA CYS A 67 0.326 11.424 -3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -0.983 12.755 -1.584 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.454 11.285 -0.754 1.00 0.00 H new ATOM 0 HG CYS A 67 0.563 12.546 0.766 1.00 0.00 H new ATOM 1022 N VAL A 68 1.277 9.323 -2.168 1.00 0.00 N ATOM 1023 CA VAL A 68 1.818 8.005 -1.858 1.00 0.00 C ATOM 1024 C VAL A 68 1.731 7.714 -0.364 1.00 0.00 C ATOM 1025 O VAL A 68 2.553 8.188 0.421 1.00 0.00 O ATOM 1026 CB VAL A 68 3.285 7.879 -2.311 1.00 0.00 C ATOM 1027 CG1 VAL A 68 3.774 6.448 -2.150 1.00 0.00 C ATOM 1028 CG2 VAL A 68 3.437 8.345 -3.751 1.00 0.00 C ATOM 0 H VAL A 68 1.981 10.054 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 68 1.215 7.279 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 68 3.900 8.519 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.812 6.379 -2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.702 6.154 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.159 5.783 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.479 8.250 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.811 7.732 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.130 9.388 -3.830 1.00 0.00 H new ATOM 1038 N VAL A 69 0.729 6.932 0.021 1.00 0.00 N ATOM 1039 CA VAL A 69 0.529 6.577 1.421 1.00 0.00 C ATOM 1040 C VAL A 69 1.421 5.409 1.835 1.00 0.00 C ATOM 1041 O VAL A 69 1.648 5.185 3.024 1.00 0.00 O ATOM 1042 CB VAL A 69 -0.940 6.209 1.701 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -1.178 6.058 3.196 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -1.873 7.252 1.107 1.00 0.00 C ATOM 0 H VAL A 69 0.042 6.531 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 69 0.798 7.456 2.007 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.153 5.252 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.221 5.798 3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.536 5.270 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.948 6.998 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.907 6.976 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.661 8.225 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.721 7.304 0.029 1.00 0.00 H new ATOM 1054 N ALA A 70 1.922 4.664 0.853 1.00 0.00 N ATOM 1055 CA ALA A 70 2.782 3.521 1.133 1.00 0.00 C ATOM 1056 C ALA A 70 3.508 3.053 -0.124 1.00 0.00 C ATOM 1057 O ALA A 70 3.543 3.758 -1.133 1.00 0.00 O ATOM 1058 CB ALA A 70 1.965 2.383 1.725 1.00 0.00 C ATOM 0 H ALA A 70 1.748 4.831 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 70 3.534 3.834 1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.618 1.535 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.498 2.714 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.192 2.083 1.017 1.00 0.00 H new ATOM 1064 N ARG A 71 4.086 1.858 -0.054 1.00 0.00 N ATOM 1065 CA ARG A 71 4.812 1.290 -1.183 1.00 0.00 C ATOM 1066 C ARG A 71 4.553 -0.209 -1.291 1.00 0.00 C ATOM 1067 O ARG A 71 3.766 -0.769 -0.528 1.00 0.00 O ATOM 1068 CB ARG A 71 6.312 1.551 -1.034 1.00 0.00 C ATOM 1069 CG ARG A 71 6.769 2.854 -1.669 1.00 0.00 C ATOM 1070 CD ARG A 71 7.040 2.682 -3.155 1.00 0.00 C ATOM 1071 NE ARG A 71 8.457 2.461 -3.433 1.00 0.00 N ATOM 1072 CZ ARG A 71 9.408 3.363 -3.203 1.00 0.00 C ATOM 1073 NH1 ARG A 71 9.098 4.549 -2.692 1.00 0.00 N ATOM 1074 NH2 ARG A 71 10.672 3.080 -3.485 1.00 0.00 N ATOM 0 H ARG A 71 4.065 1.264 0.775 1.00 0.00 H new ATOM 0 HA ARG A 71 4.456 1.771 -2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.566 1.564 0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.863 0.725 -1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.006 3.619 -1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.673 3.206 -1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.461 1.840 -3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.700 3.569 -3.690 1.00 0.00 H new ATOM 0 HE ARG A 71 8.734 1.562 -3.827 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.127 4.772 -2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.831 5.237 -2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.916 2.171 -3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.401 3.771 -3.309 1.00 0.00 H new ATOM 1088 N LEU A 72 5.218 -0.855 -2.244 1.00 0.00 N ATOM 1089 CA LEU A 72 5.055 -2.288 -2.449 1.00 0.00 C ATOM 1090 C LEU A 72 6.378 -2.939 -2.841 1.00 0.00 C ATOM 1091 O LEU A 72 7.280 -2.278 -3.356 1.00 0.00 O ATOM 1092 CB LEU A 72 4.001 -2.550 -3.527 1.00 0.00 C ATOM 1093 CG LEU A 72 2.748 -3.280 -3.043 1.00 0.00 C ATOM 1094 CD1 LEU A 72 3.083 -4.710 -2.648 1.00 0.00 C ATOM 1095 CD2 LEU A 72 2.117 -2.536 -1.876 1.00 0.00 C ATOM 0 H LEU A 72 5.874 -0.408 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 72 4.723 -2.730 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.702 -1.596 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.458 -3.134 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 72 2.028 -3.310 -3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.179 -5.214 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.490 -5.240 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.820 -4.703 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.226 -3.069 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.831 -2.475 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.841 -1.530 -2.192 1.00 0.00 H new ATOM 1107 N GLU A 73 6.483 -4.241 -2.595 1.00 0.00 N ATOM 1108 CA GLU A 73 7.692 -4.987 -2.922 1.00 0.00 C ATOM 1109 C GLU A 73 7.345 -6.386 -3.422 1.00 0.00 C ATOM 1110 O GLU A 73 7.177 -7.314 -2.632 1.00 0.00 O ATOM 1111 CB GLU A 73 8.606 -5.082 -1.699 1.00 0.00 C ATOM 1112 CG GLU A 73 10.046 -5.424 -2.042 1.00 0.00 C ATOM 1113 CD GLU A 73 10.927 -5.538 -0.813 1.00 0.00 C ATOM 1114 OE1 GLU A 73 10.406 -5.918 0.257 1.00 0.00 O ATOM 1115 OE2 GLU A 73 12.136 -5.246 -0.920 1.00 0.00 O ATOM 0 H GLU A 73 5.744 -4.801 -2.170 1.00 0.00 H new ATOM 0 HA GLU A 73 8.216 -4.454 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.584 -4.132 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.213 -5.839 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.071 -6.365 -2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.450 -4.658 -2.704 1.00 0.00 H new ATOM 1122 N LEU A 74 7.238 -6.529 -4.739 1.00 0.00 N ATOM 1123 CA LEU A 74 6.909 -7.814 -5.344 1.00 0.00 C ATOM 1124 C LEU A 74 7.988 -8.850 -5.045 1.00 0.00 C ATOM 1125 O LEU A 74 9.142 -8.693 -5.443 1.00 0.00 O ATOM 1126 CB LEU A 74 6.737 -7.660 -6.857 1.00 0.00 C ATOM 1127 CG LEU A 74 5.303 -7.398 -7.322 1.00 0.00 C ATOM 1128 CD1 LEU A 74 4.436 -8.626 -7.093 1.00 0.00 C ATOM 1129 CD2 LEU A 74 4.723 -6.191 -6.602 1.00 0.00 C ATOM 0 H LEU A 74 7.374 -5.771 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 74 5.970 -8.161 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.369 -6.840 -7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.101 -8.565 -7.343 1.00 0.00 H new ATOM 0 HG LEU A 74 5.320 -7.185 -8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.420 -8.422 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.842 -9.468 -7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.424 -8.870 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.703 -6.019 -6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.719 -6.375 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.331 -5.312 -6.817 1.00 0.00 H new ATOM 1141 N ASP A 75 7.602 -9.909 -4.342 1.00 0.00 N ATOM 1142 CA ASP A 75 8.533 -10.974 -3.988 1.00 0.00 C ATOM 1143 C ASP A 75 8.878 -11.826 -5.205 1.00 0.00 C ATOM 1144 O ASP A 75 9.956 -12.415 -5.277 1.00 0.00 O ATOM 1145 CB ASP A 75 7.939 -11.854 -2.887 1.00 0.00 C ATOM 1146 CG ASP A 75 9.006 -12.521 -2.041 1.00 0.00 C ATOM 1147 OD1 ASP A 75 9.936 -11.817 -1.595 1.00 0.00 O ATOM 1148 OD2 ASP A 75 8.911 -13.747 -1.824 1.00 0.00 O ATOM 0 H ASP A 75 6.650 -10.053 -4.006 1.00 0.00 H new ATOM 0 HA ASP A 75 9.449 -10.512 -3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.298 -11.247 -2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.307 -12.618 -3.338 1.00 0.00 H new ATOM 1153 N ASP A 76 7.955 -11.888 -6.161 1.00 0.00 N ATOM 1154 CA ASP A 76 8.163 -12.670 -7.374 1.00 0.00 C ATOM 1155 C ASP A 76 9.095 -11.942 -8.337 1.00 0.00 C ATOM 1156 O ASP A 76 8.931 -10.749 -8.593 1.00 0.00 O ATOM 1157 CB ASP A 76 6.825 -12.956 -8.057 1.00 0.00 C ATOM 1158 CG ASP A 76 6.891 -14.160 -8.976 1.00 0.00 C ATOM 1159 OD1 ASP A 76 6.697 -15.293 -8.485 1.00 0.00 O ATOM 1160 OD2 ASP A 76 7.135 -13.972 -10.186 1.00 0.00 O ATOM 0 H ASP A 76 7.057 -11.406 -6.118 1.00 0.00 H new ATOM 0 HA ASP A 76 8.628 -13.615 -7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.061 -13.123 -7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.518 -12.081 -8.630 1.00 0.00 H new ATOM 1165 N LEU A 77 10.073 -12.669 -8.868 1.00 0.00 N ATOM 1166 CA LEU A 77 11.032 -12.093 -9.804 1.00 0.00 C ATOM 1167 C LEU A 77 10.494 -12.139 -11.230 1.00 0.00 C ATOM 1168 O LEU A 77 10.668 -11.195 -12.001 1.00 0.00 O ATOM 1169 CB LEU A 77 12.365 -12.840 -9.726 1.00 0.00 C ATOM 1170 CG LEU A 77 13.136 -12.654 -8.418 1.00 0.00 C ATOM 1171 CD1 LEU A 77 12.339 -13.207 -7.247 1.00 0.00 C ATOM 1172 CD2 LEU A 77 14.497 -13.326 -8.504 1.00 0.00 C ATOM 0 H LEU A 77 10.222 -13.658 -8.666 1.00 0.00 H new ATOM 0 HA LEU A 77 11.191 -11.051 -9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.177 -13.904 -9.871 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.996 -12.513 -10.552 1.00 0.00 H new ATOM 0 HG LEU A 77 13.289 -11.587 -8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.902 -13.066 -6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.387 -12.681 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.156 -14.270 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.033 -13.184 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.365 -14.392 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.070 -12.884 -9.319 1.00 0.00 H new ATOM 1184 N GLU A 78 9.841 -13.243 -11.575 1.00 0.00 N ATOM 1185 CA GLU A 78 9.277 -13.413 -12.909 1.00 0.00 C ATOM 1186 C GLU A 78 8.299 -14.583 -12.941 1.00 0.00 C ATOM 1187 O GLU A 78 8.403 -15.514 -12.143 1.00 0.00 O ATOM 1188 CB GLU A 78 10.393 -13.637 -13.931 1.00 0.00 C ATOM 1189 CG GLU A 78 10.991 -12.348 -14.471 1.00 0.00 C ATOM 1190 CD GLU A 78 11.608 -12.522 -15.845 1.00 0.00 C ATOM 1191 OE1 GLU A 78 12.262 -13.561 -16.075 1.00 0.00 O ATOM 1192 OE2 GLU A 78 11.436 -11.620 -16.691 1.00 0.00 O ATOM 0 H GLU A 78 9.689 -14.034 -10.949 1.00 0.00 H new ATOM 0 HA GLU A 78 8.735 -12.503 -13.167 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.183 -14.229 -13.470 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.001 -14.222 -14.763 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.215 -11.584 -14.519 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.751 -11.987 -13.779 1.00 0.00 H new ATOM 1199 N HIS A 79 7.350 -14.529 -13.870 1.00 0.00 N ATOM 1200 CA HIS A 79 6.353 -15.584 -14.007 1.00 0.00 C ATOM 1201 C HIS A 79 6.626 -16.437 -15.241 1.00 0.00 C ATOM 1202 O HIS A 79 6.303 -17.624 -15.272 1.00 0.00 O ATOM 1203 CB HIS A 79 4.950 -14.981 -14.090 1.00 0.00 C ATOM 1204 CG HIS A 79 3.855 -15.997 -13.990 1.00 0.00 C ATOM 1205 ND1 HIS A 79 2.525 -15.694 -14.196 1.00 0.00 N ATOM 1206 CD2 HIS A 79 3.896 -17.320 -13.705 1.00 0.00 C ATOM 1207 CE1 HIS A 79 1.797 -16.785 -14.040 1.00 0.00 C ATOM 1208 NE2 HIS A 79 2.605 -17.786 -13.743 1.00 0.00 N ATOM 0 H HIS A 79 7.251 -13.766 -14.539 1.00 0.00 H new ATOM 0 HA HIS A 79 6.415 -16.223 -13.126 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.830 -14.250 -13.291 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.850 -14.443 -15.032 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.780 -17.901 -13.488 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.723 -16.848 -14.139 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.317 -18.749 -13.570 1.00 0.00 H new ATOM 1217 N HIS A 80 7.224 -15.824 -16.257 1.00 0.00 N ATOM 1218 CA HIS A 80 7.542 -16.527 -17.494 1.00 0.00 C ATOM 1219 C HIS A 80 8.966 -17.072 -17.461 1.00 0.00 C ATOM 1220 O HIS A 80 9.847 -16.496 -16.823 1.00 0.00 O ATOM 1221 CB HIS A 80 7.368 -15.594 -18.694 1.00 0.00 C ATOM 1222 CG HIS A 80 8.154 -14.324 -18.584 1.00 0.00 C ATOM 1223 ND1 HIS A 80 7.568 -13.089 -18.401 1.00 0.00 N ATOM 1224 CD2 HIS A 80 9.489 -14.102 -18.631 1.00 0.00 C ATOM 1225 CE1 HIS A 80 8.508 -12.163 -18.341 1.00 0.00 C ATOM 1226 NE2 HIS A 80 9.682 -12.751 -18.477 1.00 0.00 N ATOM 0 H HIS A 80 7.498 -14.842 -16.248 1.00 0.00 H new ATOM 0 HA HIS A 80 6.854 -17.367 -17.592 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.669 -16.121 -19.600 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.311 -15.349 -18.803 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.258 -14.848 -18.765 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.344 -11.104 -18.204 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.586 -12.279 -18.469 1.00 0.00 H new ATOM 1235 N HIS A 81 9.184 -18.185 -18.153 1.00 0.00 N ATOM 1236 CA HIS A 81 10.501 -18.808 -18.203 1.00 0.00 C ATOM 1237 C HIS A 81 10.970 -19.205 -16.807 1.00 0.00 C ATOM 1238 O HIS A 81 12.160 -19.140 -16.498 1.00 0.00 O ATOM 1239 CB HIS A 81 11.515 -17.857 -18.842 1.00 0.00 C ATOM 1240 CG HIS A 81 11.293 -17.644 -20.308 1.00 0.00 C ATOM 1241 ND1 HIS A 81 10.530 -18.490 -21.085 1.00 0.00 N ATOM 1242 CD2 HIS A 81 11.740 -16.673 -21.140 1.00 0.00 C ATOM 1243 CE1 HIS A 81 10.517 -18.050 -22.330 1.00 0.00 C ATOM 1244 NE2 HIS A 81 11.243 -16.949 -22.390 1.00 0.00 N ATOM 0 H HIS A 81 8.466 -18.674 -18.687 1.00 0.00 H new ATOM 0 HA HIS A 81 10.425 -19.709 -18.811 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.470 -16.895 -18.332 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.519 -18.252 -18.688 1.00 0.00 H new ATOM 0 HD2 HIS A 81 12.370 -15.838 -20.871 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.000 -18.512 -23.158 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.408 -16.393 -23.229 1.00 0.00 H new ATOM 1253 N HIS A 82 10.025 -19.615 -15.966 1.00 0.00 N ATOM 1254 CA HIS A 82 10.341 -20.022 -14.602 1.00 0.00 C ATOM 1255 C HIS A 82 10.215 -21.534 -14.442 1.00 0.00 C ATOM 1256 O HIS A 82 9.114 -22.083 -14.483 1.00 0.00 O ATOM 1257 CB HIS A 82 9.417 -19.315 -13.609 1.00 0.00 C ATOM 1258 CG HIS A 82 9.891 -19.391 -12.191 1.00 0.00 C ATOM 1259 ND1 HIS A 82 11.213 -19.580 -11.848 1.00 0.00 N ATOM 1260 CD2 HIS A 82 9.210 -19.304 -11.023 1.00 0.00 C ATOM 1261 CE1 HIS A 82 11.326 -19.605 -10.532 1.00 0.00 C ATOM 1262 NE2 HIS A 82 10.125 -19.439 -10.009 1.00 0.00 N ATOM 0 H HIS A 82 9.035 -19.674 -16.205 1.00 0.00 H new ATOM 0 HA HIS A 82 11.372 -19.737 -14.395 1.00 0.00 H new ATOM 0 HB2 HIS A 82 9.322 -18.268 -13.896 1.00 0.00 H new ATOM 0 HB3 HIS A 82 8.422 -19.755 -13.675 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.146 -19.156 -10.911 1.00 0.00 H new ATOM 0 HE1 HIS A 82 12.244 -19.738 -9.979 1.00 0.00 H new ATOM 0 HE2 HIS A 82 9.912 -19.415 -9.012 1.00 0.00 H new ATOM 1271 N HIS A 83 11.350 -22.201 -14.260 1.00 0.00 N ATOM 1272 CA HIS A 83 11.367 -23.650 -14.094 1.00 0.00 C ATOM 1273 C HIS A 83 11.587 -24.028 -12.633 1.00 0.00 C ATOM 1274 O HIS A 83 12.366 -23.388 -11.927 1.00 0.00 O ATOM 1275 CB HIS A 83 12.461 -24.271 -14.964 1.00 0.00 C ATOM 1276 CG HIS A 83 12.389 -25.764 -15.041 1.00 0.00 C ATOM 1277 ND1 HIS A 83 13.159 -26.597 -14.256 1.00 0.00 N ATOM 1278 CD2 HIS A 83 11.631 -26.576 -15.816 1.00 0.00 C ATOM 1279 CE1 HIS A 83 12.879 -27.855 -14.545 1.00 0.00 C ATOM 1280 NE2 HIS A 83 11.954 -27.870 -15.487 1.00 0.00 N ATOM 0 H HIS A 83 12.270 -21.761 -14.224 1.00 0.00 H new ATOM 0 HA HIS A 83 10.398 -24.038 -14.409 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.390 -23.860 -15.971 1.00 0.00 H new ATOM 0 HB3 HIS A 83 13.435 -23.982 -14.569 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.908 -26.264 -16.555 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.330 -28.724 -14.088 1.00 0.00 H new ATOM 0 HE2 HIS A 83 11.545 -28.707 -15.903 1.00 0.00 H new ATOM 1289 N HIS A 84 10.896 -25.071 -12.186 1.00 0.00 N ATOM 1290 CA HIS A 84 11.016 -25.534 -10.809 1.00 0.00 C ATOM 1291 C HIS A 84 12.280 -26.368 -10.623 1.00 0.00 C ATOM 1292 O HIS A 84 13.053 -26.069 -9.689 1.00 0.00 O ATOM 1293 CB HIS A 84 9.787 -26.357 -10.416 1.00 0.00 C ATOM 1294 CG HIS A 84 8.492 -25.641 -10.641 1.00 0.00 C ATOM 1295 ND1 HIS A 84 7.832 -25.639 -11.852 1.00 0.00 N ATOM 1296 CD2 HIS A 84 7.731 -24.900 -9.800 1.00 0.00 C ATOM 1297 CE1 HIS A 84 6.724 -24.928 -11.747 1.00 0.00 C ATOM 1298 NE2 HIS A 84 6.639 -24.470 -10.512 1.00 0.00 N ATOM 1299 OXT HIS A 84 12.487 -27.312 -11.414 1.00 0.00 O ATOM 0 H HIS A 84 10.247 -25.612 -12.758 1.00 0.00 H new ATOM 0 HA HIS A 84 11.081 -24.659 -10.163 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.784 -27.285 -10.987 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.864 -26.630 -9.364 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.944 -24.687 -8.763 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.009 -24.751 -12.537 1.00 0.00 H new ATOM 0 HE2 HIS A 84 5.884 -23.890 -10.146 1.00 0.00 H new TER 1308 HIS A 84