USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 806 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 66 THR OG1 : rot -152:sc= 0.434 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.736 X(o=-0.3,f=-0.48) USER MOD Set 2.1: A 4 HIS : no HD1:sc= -0.11 X(o=-0.24,f=0.0026) USER MOD Set 2.2: A 15 ASN : amide:sc= -0.129 K(o=-0.24,f=-1.6!) USER MOD Single : A 1 MET CE :methyl -177:sc= -2.16 (180deg=-2.2) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.008 (180deg=-0.0158) USER MOD Single : A 5 SER OG : rot 30:sc= 0.0337 USER MOD Single : A 8 THR OG1 : rot -18:sc= 0.982 USER MOD Single : A 17 SER OG : rot 180:sc= 0.189 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.000764 X(o=-0.00076,f=-0.00076) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 72:sc= 1.04 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 43 THR OG1 : rot 48:sc= 1.18 USER MOD Single : A 55 CYS SG : rot 154:sc= -1.84! USER MOD Single : A 58 THR OG1 : rot 172:sc= 0.202 USER MOD Single : A 59 GLN : amide:sc= -0.465 X(o=-0.47,f=-0.21) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= 1.86 (180deg=1.56) USER MOD Single : A 72 THR OG1 : rot 76:sc= 1.16 USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= -0.0229 (180deg=-0.139) USER MOD Single : A 76 TYR OH : rot 150:sc= -0.132 USER MOD Single : A 78 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.016) USER MOD Single : A 86 THR OG1 : rot -32:sc= 0.444 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -43:sc= -0.0678 USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.425 K(o=-0.42,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.687 -4.234 6.429 1.00 0.00 N ATOM 2 CA MET A 1 6.418 -4.771 5.076 1.00 0.00 C ATOM 3 C MET A 1 7.123 -6.115 4.860 1.00 0.00 C ATOM 4 O MET A 1 8.093 -6.457 5.556 1.00 0.00 O ATOM 5 CB MET A 1 6.819 -3.746 3.966 1.00 0.00 C ATOM 6 CG MET A 1 8.216 -3.114 4.112 1.00 0.00 C ATOM 7 SD MET A 1 9.600 -4.261 3.999 1.00 0.00 S ATOM 8 CE MET A 1 9.543 -4.775 2.292 1.00 0.00 C ATOM 0 H1 MET A 1 6.666 -3.195 6.401 1.00 0.00 H new ATOM 0 H2 MET A 1 5.961 -4.577 7.089 1.00 0.00 H new ATOM 0 H3 MET A 1 7.624 -4.552 6.749 1.00 0.00 H new ATOM 0 HA MET A 1 5.344 -4.941 5.001 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.766 -4.247 2.999 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.079 -2.946 3.952 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.334 -2.352 3.341 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.267 -2.604 5.074 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.314 -5.524 2.112 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.564 -5.202 2.073 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.716 -3.914 1.647 1.00 0.00 H new ATOM 18 N LEU A 2 6.600 -6.869 3.884 1.00 0.00 N ATOM 19 CA LEU A 2 7.224 -8.090 3.358 1.00 0.00 C ATOM 20 C LEU A 2 7.646 -7.834 1.904 1.00 0.00 C ATOM 21 O LEU A 2 7.061 -6.967 1.231 1.00 0.00 O ATOM 22 CB LEU A 2 6.243 -9.297 3.509 1.00 0.00 C ATOM 23 CG LEU A 2 4.767 -9.123 2.993 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.635 -9.227 1.458 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.815 -10.119 3.692 1.00 0.00 C ATOM 0 H LEU A 2 5.715 -6.643 3.430 1.00 0.00 H new ATOM 0 HA LEU A 2 8.119 -8.350 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.680 -10.149 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.198 -9.559 4.566 1.00 0.00 H new ATOM 0 HG LEU A 2 4.475 -8.107 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.591 -9.098 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.239 -8.451 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.982 -10.206 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.801 -9.978 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.139 -11.139 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.832 -9.944 4.768 1.00 0.00 H new ATOM 37 N LEU A 3 8.688 -8.537 1.432 1.00 0.00 N ATOM 38 CA LEU A 3 9.205 -8.391 0.062 1.00 0.00 C ATOM 39 C LEU A 3 8.157 -8.856 -0.968 1.00 0.00 C ATOM 40 O LEU A 3 7.913 -10.059 -1.113 1.00 0.00 O ATOM 41 CB LEU A 3 10.544 -9.184 -0.092 1.00 0.00 C ATOM 42 CG LEU A 3 11.827 -8.528 0.527 1.00 0.00 C ATOM 43 CD1 LEU A 3 11.672 -8.166 2.023 1.00 0.00 C ATOM 44 CD2 LEU A 3 13.054 -9.436 0.305 1.00 0.00 C ATOM 0 H LEU A 3 9.196 -9.223 1.990 1.00 0.00 H new ATOM 0 HA LEU A 3 9.408 -7.337 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.412 -10.166 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.723 -9.345 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 3 11.977 -7.584 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.596 -7.717 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.852 -7.457 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.458 -9.069 2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.937 -8.967 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.883 -10.401 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.210 -9.582 -0.764 1.00 0.00 H new ATOM 56 N HIS A 4 7.478 -7.867 -1.587 1.00 0.00 N ATOM 57 CA HIS A 4 6.563 -8.047 -2.744 1.00 0.00 C ATOM 58 C HIS A 4 7.076 -9.067 -3.787 1.00 0.00 C ATOM 59 O HIS A 4 6.283 -9.802 -4.388 1.00 0.00 O ATOM 60 CB HIS A 4 6.328 -6.665 -3.409 1.00 0.00 C ATOM 61 CG HIS A 4 5.293 -6.658 -4.509 1.00 0.00 C ATOM 62 ND1 HIS A 4 5.533 -6.145 -5.769 1.00 0.00 N ATOM 63 CD2 HIS A 4 4.010 -7.095 -4.530 1.00 0.00 C ATOM 64 CE1 HIS A 4 4.445 -6.258 -6.502 1.00 0.00 C ATOM 65 NE2 HIS A 4 3.507 -6.835 -5.782 1.00 0.00 N ATOM 0 H HIS A 4 7.550 -6.894 -1.291 1.00 0.00 H new ATOM 0 HA HIS A 4 5.629 -8.460 -2.363 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.025 -5.955 -2.640 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.274 -6.309 -3.817 1.00 0.00 H new ATOM 0 HD2 HIS A 4 3.480 -7.562 -3.713 1.00 0.00 H new ATOM 0 HE1 HIS A 4 4.340 -5.931 -7.526 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.563 -7.053 -6.100 1.00 0.00 H new ATOM 74 N SER A 5 8.397 -9.101 -3.984 1.00 0.00 N ATOM 75 CA SER A 5 9.058 -10.096 -4.825 1.00 0.00 C ATOM 76 C SER A 5 10.553 -10.139 -4.494 1.00 0.00 C ATOM 77 O SER A 5 11.205 -9.093 -4.411 1.00 0.00 O ATOM 78 CB SER A 5 8.847 -9.790 -6.320 1.00 0.00 C ATOM 79 OG SER A 5 9.432 -10.792 -7.135 1.00 0.00 O ATOM 0 H SER A 5 9.040 -8.433 -3.560 1.00 0.00 H new ATOM 0 HA SER A 5 8.616 -11.071 -4.620 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.780 -9.721 -6.533 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.283 -8.821 -6.561 1.00 0.00 H new ATOM 0 HG SER A 5 9.410 -11.651 -6.664 1.00 0.00 H new ATOM 85 N VAL A 6 11.069 -11.363 -4.288 1.00 0.00 N ATOM 86 CA VAL A 6 12.503 -11.651 -4.145 1.00 0.00 C ATOM 87 C VAL A 6 12.855 -12.834 -5.067 1.00 0.00 C ATOM 88 O VAL A 6 12.347 -13.951 -4.894 1.00 0.00 O ATOM 89 CB VAL A 6 12.904 -11.935 -2.638 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.073 -13.083 -2.002 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.432 -12.186 -2.494 1.00 0.00 C ATOM 0 H VAL A 6 10.486 -12.197 -4.215 1.00 0.00 H new ATOM 0 HA VAL A 6 13.080 -10.775 -4.442 1.00 0.00 H new ATOM 0 HB VAL A 6 12.661 -11.033 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.390 -13.233 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.015 -12.821 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.229 -14.002 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.672 -12.377 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.717 -13.049 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.979 -11.308 -2.837 1.00 0.00 H new ATOM 101 N GLU A 7 13.672 -12.567 -6.099 1.00 0.00 N ATOM 102 CA GLU A 7 14.118 -13.610 -7.029 1.00 0.00 C ATOM 103 C GLU A 7 15.313 -14.355 -6.410 1.00 0.00 C ATOM 104 O GLU A 7 16.459 -13.904 -6.487 1.00 0.00 O ATOM 105 CB GLU A 7 14.478 -13.038 -8.428 1.00 0.00 C ATOM 106 CG GLU A 7 14.852 -14.119 -9.464 1.00 0.00 C ATOM 107 CD GLU A 7 15.266 -13.546 -10.830 1.00 0.00 C ATOM 108 OE1 GLU A 7 16.428 -13.098 -10.974 1.00 0.00 O ATOM 109 OE2 GLU A 7 14.435 -13.531 -11.757 1.00 0.00 O ATOM 0 H GLU A 7 14.035 -11.637 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 7 13.294 -14.306 -7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.631 -12.464 -8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.312 -12.344 -8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.670 -14.721 -9.069 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.002 -14.787 -9.602 1.00 0.00 H new ATOM 116 N THR A 8 14.993 -15.470 -5.750 1.00 0.00 N ATOM 117 CA THR A 8 15.968 -16.362 -5.110 1.00 0.00 C ATOM 118 C THR A 8 16.696 -17.214 -6.184 1.00 0.00 C ATOM 119 O THR A 8 16.230 -17.285 -7.328 1.00 0.00 O ATOM 120 CB THR A 8 15.235 -17.282 -4.065 1.00 0.00 C ATOM 121 OG1 THR A 8 14.301 -18.143 -4.726 1.00 0.00 O ATOM 122 CG2 THR A 8 14.477 -16.445 -3.020 1.00 0.00 C ATOM 0 H THR A 8 14.029 -15.787 -5.642 1.00 0.00 H new ATOM 0 HA THR A 8 16.716 -15.767 -4.586 1.00 0.00 H new ATOM 0 HB THR A 8 15.999 -17.875 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.108 -17.791 -5.620 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.981 -17.109 -2.312 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.180 -15.806 -2.486 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.732 -15.826 -3.520 1.00 0.00 H new ATOM 130 N PRO A 9 17.882 -17.826 -5.863 1.00 0.00 N ATOM 131 CA PRO A 9 18.580 -18.767 -6.786 1.00 0.00 C ATOM 132 C PRO A 9 17.714 -19.970 -7.258 1.00 0.00 C ATOM 133 O PRO A 9 17.994 -20.570 -8.309 1.00 0.00 O ATOM 134 CB PRO A 9 19.797 -19.246 -5.956 1.00 0.00 C ATOM 135 CG PRO A 9 20.063 -18.112 -5.019 1.00 0.00 C ATOM 136 CD PRO A 9 18.699 -17.571 -4.642 1.00 0.00 C ATOM 0 HA PRO A 9 18.842 -18.271 -7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.575 -20.166 -5.416 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.659 -19.449 -6.592 1.00 0.00 H new ATOM 0 HG2 PRO A 9 20.608 -18.450 -4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.672 -17.344 -5.495 1.00 0.00 H new ATOM 0 HD2 PRO A 9 18.290 -18.082 -3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.740 -16.509 -4.399 1.00 0.00 H new ATOM 144 N ARG A 10 16.670 -20.317 -6.469 1.00 0.00 N ATOM 145 CA ARG A 10 15.736 -21.428 -6.796 1.00 0.00 C ATOM 146 C ARG A 10 14.524 -20.946 -7.637 1.00 0.00 C ATOM 147 O ARG A 10 13.670 -21.759 -8.018 1.00 0.00 O ATOM 148 CB ARG A 10 15.255 -22.134 -5.494 1.00 0.00 C ATOM 149 CG ARG A 10 14.436 -21.248 -4.534 1.00 0.00 C ATOM 150 CD ARG A 10 13.931 -22.004 -3.298 1.00 0.00 C ATOM 151 NE ARG A 10 15.025 -22.558 -2.478 1.00 0.00 N ATOM 152 CZ ARG A 10 14.862 -23.331 -1.398 1.00 0.00 C ATOM 153 NH1 ARG A 10 13.656 -23.704 -0.988 1.00 0.00 N ATOM 154 NH2 ARG A 10 15.922 -23.732 -0.714 1.00 0.00 N ATOM 0 H ARG A 10 16.450 -19.841 -5.594 1.00 0.00 H new ATOM 0 HA ARG A 10 16.285 -22.145 -7.406 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.651 -22.999 -5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 10 16.127 -22.511 -4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.051 -20.407 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.584 -20.832 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.330 -21.331 -2.687 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.276 -22.815 -3.617 1.00 0.00 H new ATOM 0 HE ARG A 10 15.981 -22.334 -2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.827 -23.401 -1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.558 -24.294 -0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.857 -23.452 -1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.804 -24.321 0.110 1.00 0.00 H new ATOM 168 N GLY A 11 14.455 -19.627 -7.909 1.00 0.00 N ATOM 169 CA GLY A 11 13.398 -19.029 -8.745 1.00 0.00 C ATOM 170 C GLY A 11 12.877 -17.712 -8.189 1.00 0.00 C ATOM 171 O GLY A 11 13.343 -17.239 -7.157 1.00 0.00 O ATOM 0 H GLY A 11 15.130 -18.949 -7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.786 -18.865 -9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.570 -19.733 -8.834 1.00 0.00 H new ATOM 175 N GLU A 12 11.869 -17.141 -8.857 1.00 0.00 N ATOM 176 CA GLU A 12 11.254 -15.873 -8.437 1.00 0.00 C ATOM 177 C GLU A 12 10.148 -16.176 -7.423 1.00 0.00 C ATOM 178 O GLU A 12 9.338 -17.081 -7.647 1.00 0.00 O ATOM 179 CB GLU A 12 10.687 -15.094 -9.648 1.00 0.00 C ATOM 180 CG GLU A 12 10.036 -13.747 -9.281 1.00 0.00 C ATOM 181 CD GLU A 12 9.438 -13.026 -10.492 1.00 0.00 C ATOM 182 OE1 GLU A 12 8.368 -13.449 -10.973 1.00 0.00 O ATOM 183 OE2 GLU A 12 10.044 -12.051 -10.982 1.00 0.00 O ATOM 0 H GLU A 12 11.457 -17.541 -9.700 1.00 0.00 H new ATOM 0 HA GLU A 12 12.014 -15.242 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.493 -14.914 -10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.948 -15.716 -10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.253 -13.917 -8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.782 -13.104 -8.813 1.00 0.00 H new ATOM 190 N ILE A 13 10.116 -15.417 -6.320 1.00 0.00 N ATOM 191 CA ILE A 13 9.174 -15.639 -5.202 1.00 0.00 C ATOM 192 C ILE A 13 8.392 -14.334 -4.985 1.00 0.00 C ATOM 193 O ILE A 13 8.984 -13.258 -5.073 1.00 0.00 O ATOM 194 CB ILE A 13 9.921 -16.048 -3.865 1.00 0.00 C ATOM 195 CG1 ILE A 13 11.008 -17.149 -4.110 1.00 0.00 C ATOM 196 CG2 ILE A 13 8.912 -16.509 -2.784 1.00 0.00 C ATOM 197 CD1 ILE A 13 10.500 -18.459 -4.687 1.00 0.00 C ATOM 0 H ILE A 13 10.744 -14.627 -6.172 1.00 0.00 H new ATOM 0 HA ILE A 13 8.508 -16.463 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 13 10.435 -15.158 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.763 -16.745 -4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.506 -17.359 -3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.451 -16.784 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.219 -15.697 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.355 -17.371 -3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.335 -19.148 -4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.770 -18.897 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.031 -18.273 -5.653 1.00 0.00 H new ATOM 209 N LEU A 14 7.075 -14.429 -4.731 1.00 0.00 N ATOM 210 CA LEU A 14 6.185 -13.253 -4.590 1.00 0.00 C ATOM 211 C LEU A 14 5.554 -13.216 -3.183 1.00 0.00 C ATOM 212 O LEU A 14 5.113 -14.260 -2.679 1.00 0.00 O ATOM 213 CB LEU A 14 5.062 -13.291 -5.670 1.00 0.00 C ATOM 214 CG LEU A 14 5.519 -13.475 -7.159 1.00 0.00 C ATOM 215 CD1 LEU A 14 4.307 -13.519 -8.112 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.535 -12.389 -7.592 1.00 0.00 C ATOM 0 H LEU A 14 6.594 -15.321 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 14 6.784 -12.353 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.379 -14.103 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.493 -12.364 -5.601 1.00 0.00 H new ATOM 0 HG LEU A 14 6.031 -14.435 -7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.655 -13.647 -9.137 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.661 -14.354 -7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.748 -12.587 -8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.825 -12.555 -8.630 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.078 -11.404 -7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.418 -12.443 -6.956 1.00 0.00 H new ATOM 228 N ASN A 15 5.551 -12.010 -2.570 1.00 0.00 N ATOM 229 CA ASN A 15 4.830 -11.697 -1.311 1.00 0.00 C ATOM 230 C ASN A 15 5.256 -12.620 -0.161 1.00 0.00 C ATOM 231 O ASN A 15 4.533 -13.551 0.224 1.00 0.00 O ATOM 232 CB ASN A 15 3.292 -11.713 -1.526 1.00 0.00 C ATOM 233 CG ASN A 15 2.818 -10.657 -2.529 1.00 0.00 C ATOM 234 OD1 ASN A 15 3.375 -9.559 -2.607 1.00 0.00 O ATOM 235 ND2 ASN A 15 1.796 -10.981 -3.310 1.00 0.00 N ATOM 0 H ASN A 15 6.060 -11.209 -2.944 1.00 0.00 H new ATOM 0 HA ASN A 15 5.109 -10.685 -1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.990 -12.700 -1.876 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.795 -11.547 -0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.450 -10.314 -3.999 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.357 -11.897 -3.221 1.00 0.00 H new ATOM 242 N VAL A 16 6.454 -12.355 0.361 1.00 0.00 N ATOM 243 CA VAL A 16 7.077 -13.174 1.399 1.00 0.00 C ATOM 244 C VAL A 16 7.981 -12.283 2.274 1.00 0.00 C ATOM 245 O VAL A 16 8.634 -11.364 1.763 1.00 0.00 O ATOM 246 CB VAL A 16 7.903 -14.358 0.749 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.000 -13.836 -0.206 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.499 -15.294 1.823 1.00 0.00 C ATOM 0 H VAL A 16 7.023 -11.559 0.072 1.00 0.00 H new ATOM 0 HA VAL A 16 6.304 -13.617 2.026 1.00 0.00 H new ATOM 0 HB VAL A 16 7.202 -14.943 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.544 -14.680 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.540 -13.260 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.691 -13.200 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.059 -16.094 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.166 -14.726 2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.694 -15.724 2.418 1.00 0.00 H new ATOM 258 N SER A 17 7.985 -12.534 3.596 1.00 0.00 N ATOM 259 CA SER A 17 8.879 -11.836 4.537 1.00 0.00 C ATOM 260 C SER A 17 10.336 -12.191 4.226 1.00 0.00 C ATOM 261 O SER A 17 10.605 -13.277 3.739 1.00 0.00 O ATOM 262 CB SER A 17 8.537 -12.234 5.989 1.00 0.00 C ATOM 263 OG SER A 17 8.637 -13.636 6.179 1.00 0.00 O ATOM 0 H SER A 17 7.374 -13.220 4.039 1.00 0.00 H new ATOM 0 HA SER A 17 8.741 -10.760 4.427 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.211 -11.723 6.676 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.526 -11.904 6.230 1.00 0.00 H new ATOM 0 HG SER A 17 8.416 -13.857 7.108 1.00 0.00 H new ATOM 269 N GLU A 18 11.250 -11.255 4.492 1.00 0.00 N ATOM 270 CA GLU A 18 12.713 -11.492 4.395 1.00 0.00 C ATOM 271 C GLU A 18 13.173 -12.592 5.382 1.00 0.00 C ATOM 272 O GLU A 18 14.204 -13.232 5.165 1.00 0.00 O ATOM 273 CB GLU A 18 13.538 -10.175 4.591 1.00 0.00 C ATOM 274 CG GLU A 18 12.907 -9.072 5.461 1.00 0.00 C ATOM 275 CD GLU A 18 12.521 -9.520 6.878 1.00 0.00 C ATOM 276 OE1 GLU A 18 13.395 -9.548 7.767 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.337 -9.865 7.098 1.00 0.00 O ATOM 0 H GLU A 18 11.008 -10.307 4.782 1.00 0.00 H new ATOM 0 HA GLU A 18 12.910 -11.846 3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.500 -10.441 5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.741 -9.754 3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.608 -8.240 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.017 -8.695 4.958 1.00 0.00 H new ATOM 284 N GLN A 19 12.393 -12.782 6.463 1.00 0.00 N ATOM 285 CA GLN A 19 12.593 -13.881 7.420 1.00 0.00 C ATOM 286 C GLN A 19 12.417 -15.238 6.711 1.00 0.00 C ATOM 287 O GLN A 19 13.363 -16.028 6.647 1.00 0.00 O ATOM 288 CB GLN A 19 11.626 -13.746 8.626 1.00 0.00 C ATOM 289 CG GLN A 19 11.841 -12.463 9.454 1.00 0.00 C ATOM 290 CD GLN A 19 10.963 -12.366 10.708 1.00 0.00 C ATOM 291 OE1 GLN A 19 9.856 -12.905 10.758 1.00 0.00 O ATOM 292 NE2 GLN A 19 11.457 -11.678 11.732 1.00 0.00 N ATOM 0 H GLN A 19 11.606 -12.176 6.695 1.00 0.00 H new ATOM 0 HA GLN A 19 13.610 -13.827 7.808 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.599 -13.764 8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.748 -14.612 9.277 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.888 -12.409 9.753 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.645 -11.598 8.820 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.377 -11.244 11.658 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.916 -11.584 12.592 1.00 0.00 H new ATOM 301 N GLU A 20 11.221 -15.459 6.114 1.00 0.00 N ATOM 302 CA GLU A 20 10.887 -16.726 5.419 1.00 0.00 C ATOM 303 C GLU A 20 11.728 -16.897 4.132 1.00 0.00 C ATOM 304 O GLU A 20 12.175 -18.003 3.815 1.00 0.00 O ATOM 305 CB GLU A 20 9.368 -16.784 5.095 1.00 0.00 C ATOM 306 CG GLU A 20 8.905 -18.057 4.348 1.00 0.00 C ATOM 307 CD GLU A 20 7.375 -18.189 4.251 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.746 -18.585 5.258 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.792 -17.890 3.188 1.00 0.00 O ATOM 0 H GLU A 20 10.467 -14.772 6.100 1.00 0.00 H new ATOM 0 HA GLU A 20 11.131 -17.552 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.810 -16.706 6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.107 -15.913 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.326 -18.052 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.306 -18.934 4.857 1.00 0.00 H new ATOM 316 N ALA A 21 11.900 -15.786 3.390 1.00 0.00 N ATOM 317 CA ALA A 21 12.787 -15.712 2.211 1.00 0.00 C ATOM 318 C ALA A 21 14.184 -16.308 2.500 1.00 0.00 C ATOM 319 O ALA A 21 14.625 -17.203 1.793 1.00 0.00 O ATOM 320 CB ALA A 21 12.897 -14.259 1.724 1.00 0.00 C ATOM 0 H ALA A 21 11.424 -14.907 3.593 1.00 0.00 H new ATOM 0 HA ALA A 21 12.343 -16.316 1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.553 -14.215 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.908 -13.891 1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.308 -13.639 2.520 1.00 0.00 H new ATOM 326 N ARG A 22 14.832 -15.848 3.578 1.00 0.00 N ATOM 327 CA ARG A 22 16.180 -16.326 3.969 1.00 0.00 C ATOM 328 C ARG A 22 16.143 -17.729 4.606 1.00 0.00 C ATOM 329 O ARG A 22 17.087 -18.506 4.442 1.00 0.00 O ATOM 330 CB ARG A 22 16.835 -15.339 4.956 1.00 0.00 C ATOM 331 CG ARG A 22 17.203 -13.979 4.354 1.00 0.00 C ATOM 332 CD ARG A 22 17.796 -13.018 5.390 1.00 0.00 C ATOM 333 NE ARG A 22 18.966 -13.606 6.076 1.00 0.00 N ATOM 334 CZ ARG A 22 20.087 -12.965 6.375 1.00 0.00 C ATOM 335 NH1 ARG A 22 20.232 -11.684 6.094 1.00 0.00 N ATOM 336 NH2 ARG A 22 21.074 -13.610 6.971 1.00 0.00 N ATOM 0 H ARG A 22 14.448 -15.140 4.204 1.00 0.00 H new ATOM 0 HA ARG A 22 16.769 -16.387 3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.155 -15.178 5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.737 -15.797 5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.921 -14.125 3.547 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.314 -13.528 3.913 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.090 -12.090 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.034 -12.761 6.126 1.00 0.00 H new ATOM 0 HE ARG A 22 18.906 -14.589 6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.475 -11.173 5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.101 -11.205 6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 22 20.972 -14.599 7.200 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.938 -13.119 7.202 1.00 0.00 H new ATOM 350 N ASP A 23 15.056 -18.038 5.332 1.00 0.00 N ATOM 351 CA ASP A 23 14.947 -19.265 6.148 1.00 0.00 C ATOM 352 C ASP A 23 14.655 -20.485 5.253 1.00 0.00 C ATOM 353 O ASP A 23 15.443 -21.438 5.197 1.00 0.00 O ATOM 354 CB ASP A 23 13.833 -19.073 7.213 1.00 0.00 C ATOM 355 CG ASP A 23 13.619 -20.293 8.122 1.00 0.00 C ATOM 356 OD1 ASP A 23 14.444 -20.515 9.035 1.00 0.00 O ATOM 357 OD2 ASP A 23 12.634 -21.041 7.926 1.00 0.00 O ATOM 0 H ASP A 23 14.226 -17.446 5.372 1.00 0.00 H new ATOM 0 HA ASP A 23 15.893 -19.449 6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.081 -18.211 7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.896 -18.842 6.706 1.00 0.00 H new ATOM 362 N VAL A 24 13.515 -20.420 4.554 1.00 0.00 N ATOM 363 CA VAL A 24 13.030 -21.487 3.665 1.00 0.00 C ATOM 364 C VAL A 24 13.768 -21.445 2.312 1.00 0.00 C ATOM 365 O VAL A 24 14.454 -22.397 1.935 1.00 0.00 O ATOM 366 CB VAL A 24 11.471 -21.354 3.440 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.926 -22.470 2.510 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.717 -21.334 4.796 1.00 0.00 C ATOM 0 H VAL A 24 12.893 -19.613 4.590 1.00 0.00 H new ATOM 0 HA VAL A 24 13.234 -22.446 4.141 1.00 0.00 H new ATOM 0 HB VAL A 24 11.292 -20.403 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.851 -22.343 2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.418 -22.407 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.125 -23.445 2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.646 -21.242 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.916 -22.260 5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.059 -20.487 5.390 1.00 0.00 H new ATOM 378 N PHE A 25 13.650 -20.303 1.617 1.00 0.00 N ATOM 379 CA PHE A 25 14.104 -20.160 0.217 1.00 0.00 C ATOM 380 C PHE A 25 15.629 -19.939 0.121 1.00 0.00 C ATOM 381 O PHE A 25 16.228 -20.204 -0.931 1.00 0.00 O ATOM 382 CB PHE A 25 13.342 -19.007 -0.482 1.00 0.00 C ATOM 383 CG PHE A 25 11.819 -19.151 -0.435 1.00 0.00 C ATOM 384 CD1 PHE A 25 11.147 -19.925 -1.380 1.00 0.00 C ATOM 385 CD2 PHE A 25 11.061 -18.526 0.557 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.770 -20.064 -1.338 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.687 -18.664 0.596 1.00 0.00 C ATOM 388 CZ PHE A 25 9.044 -19.436 -0.349 1.00 0.00 C ATOM 0 H PHE A 25 13.239 -19.453 2.004 1.00 0.00 H new ATOM 0 HA PHE A 25 13.881 -21.096 -0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.622 -18.063 -0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.660 -18.953 -1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.709 -20.423 -2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.556 -17.925 1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.265 -20.664 -2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.116 -18.167 1.367 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.970 -19.549 -0.314 1.00 0.00 H new ATOM 398 N GLY A 26 16.242 -19.458 1.221 1.00 0.00 N ATOM 399 CA GLY A 26 17.683 -19.169 1.250 1.00 0.00 C ATOM 400 C GLY A 26 18.062 -17.964 0.388 1.00 0.00 C ATOM 401 O GLY A 26 19.119 -17.952 -0.258 1.00 0.00 O ATOM 0 H GLY A 26 15.759 -19.263 2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.992 -18.985 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.232 -20.045 0.904 1.00 0.00 H new ATOM 405 N ALA A 27 17.173 -16.955 0.387 1.00 0.00 N ATOM 406 CA ALA A 27 17.332 -15.711 -0.388 1.00 0.00 C ATOM 407 C ALA A 27 18.548 -14.915 0.092 1.00 0.00 C ATOM 408 O ALA A 27 18.654 -14.621 1.289 1.00 0.00 O ATOM 409 CB ALA A 27 16.070 -14.843 -0.270 1.00 0.00 C ATOM 0 H ALA A 27 16.311 -16.981 0.932 1.00 0.00 H new ATOM 0 HA ALA A 27 17.486 -15.986 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.202 -13.928 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.212 -15.394 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.899 -14.590 0.776 1.00 0.00 H new ATOM 415 N SER A 28 19.436 -14.557 -0.854 1.00 0.00 N ATOM 416 CA SER A 28 20.672 -13.814 -0.571 1.00 0.00 C ATOM 417 C SER A 28 20.367 -12.463 0.101 1.00 0.00 C ATOM 418 O SER A 28 19.342 -11.844 -0.194 1.00 0.00 O ATOM 419 CB SER A 28 21.460 -13.597 -1.883 1.00 0.00 C ATOM 420 OG SER A 28 20.689 -12.904 -2.847 1.00 0.00 O ATOM 0 H SER A 28 19.312 -14.778 -1.842 1.00 0.00 H new ATOM 0 HA SER A 28 21.277 -14.400 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 28 22.370 -13.035 -1.672 1.00 0.00 H new ATOM 0 HB3 SER A 28 21.767 -14.562 -2.287 1.00 0.00 H new ATOM 0 HG SER A 28 21.218 -12.782 -3.663 1.00 0.00 H new ATOM 426 N GLU A 29 21.278 -12.011 0.973 1.00 0.00 N ATOM 427 CA GLU A 29 21.142 -10.736 1.703 1.00 0.00 C ATOM 428 C GLU A 29 21.174 -9.548 0.716 1.00 0.00 C ATOM 429 O GLU A 29 20.618 -8.478 0.987 1.00 0.00 O ATOM 430 CB GLU A 29 22.274 -10.622 2.749 1.00 0.00 C ATOM 431 CG GLU A 29 22.375 -11.844 3.687 1.00 0.00 C ATOM 432 CD GLU A 29 23.461 -11.707 4.770 1.00 0.00 C ATOM 433 OE1 GLU A 29 24.651 -11.960 4.476 1.00 0.00 O ATOM 434 OE2 GLU A 29 23.127 -11.352 5.929 1.00 0.00 O ATOM 0 H GLU A 29 22.134 -12.519 1.195 1.00 0.00 H new ATOM 0 HA GLU A 29 20.183 -10.712 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 29 23.224 -10.493 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 29 22.114 -9.726 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 29 21.411 -12.000 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 29 22.580 -12.733 3.090 1.00 0.00 H new ATOM 441 N GLN A 30 21.833 -9.783 -0.434 1.00 0.00 N ATOM 442 CA GLN A 30 21.846 -8.864 -1.587 1.00 0.00 C ATOM 443 C GLN A 30 20.428 -8.670 -2.152 1.00 0.00 C ATOM 444 O GLN A 30 19.994 -7.538 -2.398 1.00 0.00 O ATOM 445 CB GLN A 30 22.776 -9.424 -2.699 1.00 0.00 C ATOM 446 CG GLN A 30 24.220 -9.738 -2.260 1.00 0.00 C ATOM 447 CD GLN A 30 24.955 -8.532 -1.682 1.00 0.00 C ATOM 448 OE1 GLN A 30 24.958 -8.309 -0.473 1.00 0.00 O ATOM 449 NE2 GLN A 30 25.571 -7.737 -2.546 1.00 0.00 N ATOM 0 H GLN A 30 22.380 -10.630 -0.590 1.00 0.00 H new ATOM 0 HA GLN A 30 22.220 -7.898 -1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 30 22.329 -10.335 -3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 30 22.812 -8.703 -3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.200 -10.533 -1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.778 -10.117 -3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 30 25.548 -7.952 -3.543 1.00 0.00 H new ATOM 0 HE22 GLN A 30 26.068 -6.910 -2.214 1.00 0.00 H new ATOM 458 N ALA A 31 19.705 -9.791 -2.316 1.00 0.00 N ATOM 459 CA ALA A 31 18.338 -9.786 -2.852 1.00 0.00 C ATOM 460 C ALA A 31 17.382 -9.144 -1.833 1.00 0.00 C ATOM 461 O ALA A 31 16.622 -8.255 -2.181 1.00 0.00 O ATOM 462 CB ALA A 31 17.895 -11.209 -3.205 1.00 0.00 C ATOM 0 H ALA A 31 20.052 -10.721 -2.081 1.00 0.00 H new ATOM 0 HA ALA A 31 18.315 -9.195 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.880 -11.186 -3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 31 18.568 -11.624 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.922 -11.831 -2.310 1.00 0.00 H new ATOM 468 N ILE A 32 17.426 -9.642 -0.577 1.00 0.00 N ATOM 469 CA ILE A 32 16.760 -8.994 0.591 1.00 0.00 C ATOM 470 C ILE A 32 16.961 -7.463 0.664 1.00 0.00 C ATOM 471 O ILE A 32 16.008 -6.735 0.962 1.00 0.00 O ATOM 472 CB ILE A 32 17.243 -9.620 1.957 1.00 0.00 C ATOM 473 CG1 ILE A 32 17.089 -11.172 1.965 1.00 0.00 C ATOM 474 CG2 ILE A 32 16.511 -8.985 3.172 1.00 0.00 C ATOM 475 CD1 ILE A 32 15.683 -11.697 1.729 1.00 0.00 C ATOM 0 H ILE A 32 17.921 -10.501 -0.338 1.00 0.00 H new ATOM 0 HA ILE A 32 15.699 -9.186 0.434 1.00 0.00 H new ATOM 0 HB ILE A 32 18.304 -9.390 2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.745 -11.587 1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.441 -11.548 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.871 -9.443 4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.710 -7.914 3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.438 -9.153 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.692 -12.787 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.019 -11.321 2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.328 -11.361 0.755 1.00 0.00 H new ATOM 487 N ALA A 33 18.162 -6.979 0.318 1.00 0.00 N ATOM 488 CA ALA A 33 18.478 -5.544 0.430 1.00 0.00 C ATOM 489 C ALA A 33 17.759 -4.779 -0.693 1.00 0.00 C ATOM 490 O ALA A 33 16.976 -3.863 -0.434 1.00 0.00 O ATOM 491 CB ALA A 33 19.995 -5.302 0.383 1.00 0.00 C ATOM 0 H ALA A 33 18.926 -7.553 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 33 18.127 -5.177 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.196 -4.234 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.473 -5.828 1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.393 -5.672 -0.562 1.00 0.00 H new ATOM 497 N ASP A 34 18.027 -5.216 -1.935 1.00 0.00 N ATOM 498 CA ASP A 34 17.430 -4.655 -3.161 1.00 0.00 C ATOM 499 C ASP A 34 15.884 -4.656 -3.123 1.00 0.00 C ATOM 500 O ASP A 34 15.252 -3.632 -3.372 1.00 0.00 O ATOM 501 CB ASP A 34 17.912 -5.463 -4.398 1.00 0.00 C ATOM 502 CG ASP A 34 17.540 -4.785 -5.732 1.00 0.00 C ATOM 503 OD1 ASP A 34 18.319 -3.939 -6.213 1.00 0.00 O ATOM 504 OD2 ASP A 34 16.459 -5.079 -6.290 1.00 0.00 O ATOM 0 H ASP A 34 18.675 -5.982 -2.119 1.00 0.00 H new ATOM 0 HA ASP A 34 17.758 -3.618 -3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.994 -5.587 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.475 -6.461 -4.368 1.00 0.00 H new ATOM 509 N ALA A 35 15.308 -5.819 -2.786 1.00 0.00 N ATOM 510 CA ALA A 35 13.860 -6.086 -2.894 1.00 0.00 C ATOM 511 C ALA A 35 13.056 -5.401 -1.779 1.00 0.00 C ATOM 512 O ALA A 35 11.940 -4.948 -2.021 1.00 0.00 O ATOM 513 CB ALA A 35 13.592 -7.596 -2.896 1.00 0.00 C ATOM 0 H ALA A 35 15.838 -6.613 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 35 13.525 -5.662 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.520 -7.775 -2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.101 -8.055 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.965 -8.033 -1.969 1.00 0.00 H new ATOM 519 N ARG A 36 13.617 -5.359 -0.556 1.00 0.00 N ATOM 520 CA ARG A 36 13.013 -4.609 0.572 1.00 0.00 C ATOM 521 C ARG A 36 12.992 -3.112 0.245 1.00 0.00 C ATOM 522 O ARG A 36 11.970 -2.441 0.428 1.00 0.00 O ATOM 523 CB ARG A 36 13.793 -4.855 1.889 1.00 0.00 C ATOM 524 CG ARG A 36 13.315 -4.027 3.109 1.00 0.00 C ATOM 525 CD ARG A 36 14.179 -4.267 4.355 1.00 0.00 C ATOM 526 NE ARG A 36 15.612 -4.032 4.087 1.00 0.00 N ATOM 527 CZ ARG A 36 16.614 -4.895 4.366 1.00 0.00 C ATOM 528 NH1 ARG A 36 16.368 -6.054 4.967 1.00 0.00 N ATOM 529 NH2 ARG A 36 17.855 -4.583 4.043 1.00 0.00 N ATOM 0 H ARG A 36 14.488 -5.834 -0.319 1.00 0.00 H new ATOM 0 HA ARG A 36 11.992 -4.965 0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.724 -5.913 2.140 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.847 -4.637 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.335 -2.967 2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.279 -4.282 3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.848 -3.609 5.158 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.038 -5.290 4.703 1.00 0.00 H new ATOM 0 HE ARG A 36 15.867 -3.144 3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.413 -6.302 5.224 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.134 -6.695 5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.055 -3.694 3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.615 -5.231 4.252 1.00 0.00 H new ATOM 543 N LYS A 37 14.140 -2.615 -0.250 1.00 0.00 N ATOM 544 CA LYS A 37 14.297 -1.235 -0.744 1.00 0.00 C ATOM 545 C LYS A 37 13.307 -0.919 -1.883 1.00 0.00 C ATOM 546 O LYS A 37 12.753 0.172 -1.922 1.00 0.00 O ATOM 547 CB LYS A 37 15.747 -1.016 -1.250 1.00 0.00 C ATOM 548 CG LYS A 37 16.024 0.367 -1.890 1.00 0.00 C ATOM 549 CD LYS A 37 17.436 0.471 -2.504 1.00 0.00 C ATOM 550 CE LYS A 37 17.660 -0.534 -3.649 1.00 0.00 C ATOM 551 NZ LYS A 37 18.987 -0.360 -4.278 1.00 0.00 N ATOM 0 H LYS A 37 14.995 -3.167 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 37 14.085 -0.563 0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.431 -1.154 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.979 -1.790 -1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.281 0.559 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.904 1.143 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.592 1.483 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.180 0.301 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.570 -1.550 -3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.881 -0.408 -4.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.102 -1.054 -5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.063 0.601 -4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.731 -0.505 -3.566 1.00 0.00 H new ATOM 565 N ALA A 38 13.063 -1.902 -2.773 1.00 0.00 N ATOM 566 CA ALA A 38 12.262 -1.704 -3.996 1.00 0.00 C ATOM 567 C ALA A 38 10.760 -1.765 -3.670 1.00 0.00 C ATOM 568 O ALA A 38 9.945 -1.080 -4.311 1.00 0.00 O ATOM 569 CB ALA A 38 12.626 -2.755 -5.057 1.00 0.00 C ATOM 0 H ALA A 38 13.415 -2.853 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 38 12.488 -0.717 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.025 -2.592 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.683 -2.667 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.429 -3.752 -4.664 1.00 0.00 H new ATOM 575 N THR A 39 10.410 -2.594 -2.661 1.00 0.00 N ATOM 576 CA THR A 39 9.042 -2.678 -2.148 1.00 0.00 C ATOM 577 C THR A 39 8.702 -1.351 -1.454 1.00 0.00 C ATOM 578 O THR A 39 7.768 -0.696 -1.862 1.00 0.00 O ATOM 579 CB THR A 39 8.828 -3.891 -1.175 1.00 0.00 C ATOM 580 OG1 THR A 39 9.149 -5.117 -1.845 1.00 0.00 O ATOM 581 CG2 THR A 39 7.380 -3.971 -0.643 1.00 0.00 C ATOM 0 H THR A 39 11.068 -3.215 -2.189 1.00 0.00 H new ATOM 0 HA THR A 39 8.370 -2.851 -2.988 1.00 0.00 H new ATOM 0 HB THR A 39 9.490 -3.737 -0.323 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.119 -5.177 -1.970 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.285 -4.827 0.025 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.141 -3.057 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.691 -4.085 -1.480 1.00 0.00 H new ATOM 589 N ILE A 40 9.544 -0.938 -0.471 1.00 0.00 N ATOM 590 CA ILE A 40 9.404 0.351 0.270 1.00 0.00 C ATOM 591 C ILE A 40 9.332 1.554 -0.691 1.00 0.00 C ATOM 592 O ILE A 40 8.469 2.422 -0.536 1.00 0.00 O ATOM 593 CB ILE A 40 10.582 0.527 1.330 1.00 0.00 C ATOM 594 CG1 ILE A 40 10.274 -0.285 2.628 1.00 0.00 C ATOM 595 CG2 ILE A 40 10.901 2.011 1.672 1.00 0.00 C ATOM 596 CD1 ILE A 40 9.082 0.242 3.420 1.00 0.00 C ATOM 0 H ILE A 40 10.345 -1.491 -0.166 1.00 0.00 H new ATOM 0 HA ILE A 40 8.461 0.318 0.816 1.00 0.00 H new ATOM 0 HB ILE A 40 11.480 0.130 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.087 -1.325 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.156 -0.275 3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.712 2.051 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.200 2.537 0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.014 2.486 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.933 -0.375 4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.273 1.272 3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.187 0.206 2.798 1.00 0.00 H new ATOM 608 N LEU A 41 10.225 1.549 -1.685 1.00 0.00 N ATOM 609 CA LEU A 41 10.280 2.542 -2.782 1.00 0.00 C ATOM 610 C LEU A 41 8.893 2.745 -3.409 1.00 0.00 C ATOM 611 O LEU A 41 8.397 3.876 -3.514 1.00 0.00 O ATOM 612 CB LEU A 41 11.263 2.024 -3.860 1.00 0.00 C ATOM 613 CG LEU A 41 11.335 2.806 -5.215 1.00 0.00 C ATOM 614 CD1 LEU A 41 12.447 3.872 -5.204 1.00 0.00 C ATOM 615 CD2 LEU A 41 11.466 1.826 -6.405 1.00 0.00 C ATOM 0 H LEU A 41 10.953 0.838 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 41 10.615 3.499 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.262 2.013 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.002 0.990 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 41 10.398 3.349 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.463 4.391 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.256 4.589 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.411 3.391 -5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.514 2.390 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.374 1.235 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.601 1.163 -6.427 1.00 0.00 H new ATOM 627 N GLN A 42 8.254 1.619 -3.776 1.00 0.00 N ATOM 628 CA GLN A 42 6.944 1.615 -4.433 1.00 0.00 C ATOM 629 C GLN A 42 5.821 1.795 -3.387 1.00 0.00 C ATOM 630 O GLN A 42 4.755 2.309 -3.703 1.00 0.00 O ATOM 631 CB GLN A 42 6.763 0.290 -5.241 1.00 0.00 C ATOM 632 CG GLN A 42 5.391 0.121 -5.936 1.00 0.00 C ATOM 633 CD GLN A 42 5.034 1.243 -6.922 1.00 0.00 C ATOM 634 OE1 GLN A 42 5.902 1.821 -7.575 1.00 0.00 O ATOM 635 NE2 GLN A 42 3.752 1.573 -7.015 1.00 0.00 N ATOM 0 H GLN A 42 8.637 0.686 -3.623 1.00 0.00 H new ATOM 0 HA GLN A 42 6.885 2.451 -5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.545 0.236 -5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.916 -0.552 -4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.382 -0.830 -6.469 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.615 0.065 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.056 1.075 -6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.463 2.325 -7.641 1.00 0.00 H new ATOM 644 N THR A 43 6.109 1.399 -2.132 1.00 0.00 N ATOM 645 CA THR A 43 5.143 1.435 -1.003 1.00 0.00 C ATOM 646 C THR A 43 4.763 2.884 -0.671 1.00 0.00 C ATOM 647 O THR A 43 3.651 3.137 -0.240 1.00 0.00 O ATOM 648 CB THR A 43 5.686 0.692 0.285 1.00 0.00 C ATOM 649 OG1 THR A 43 5.848 -0.709 0.018 1.00 0.00 O ATOM 650 CG2 THR A 43 4.780 0.850 1.527 1.00 0.00 C ATOM 0 H THR A 43 7.026 1.041 -1.865 1.00 0.00 H new ATOM 0 HA THR A 43 4.252 0.896 -1.326 1.00 0.00 H new ATOM 0 HB THR A 43 6.641 1.165 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.333 -0.827 -0.825 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.219 0.313 2.368 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.689 1.907 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.793 0.442 1.311 1.00 0.00 H new ATOM 658 N LEU A 44 5.692 3.828 -0.916 1.00 0.00 N ATOM 659 CA LEU A 44 5.433 5.275 -0.742 1.00 0.00 C ATOM 660 C LEU A 44 4.336 5.741 -1.728 1.00 0.00 C ATOM 661 O LEU A 44 3.468 6.550 -1.391 1.00 0.00 O ATOM 662 CB LEU A 44 6.730 6.100 -0.983 1.00 0.00 C ATOM 663 CG LEU A 44 8.042 5.567 -0.322 1.00 0.00 C ATOM 664 CD1 LEU A 44 9.221 6.519 -0.584 1.00 0.00 C ATOM 665 CD2 LEU A 44 7.865 5.267 1.184 1.00 0.00 C ATOM 0 H LEU A 44 6.636 3.614 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 44 5.096 5.439 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.895 6.166 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.558 7.115 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 44 8.275 4.614 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.120 6.123 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.384 6.609 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.995 7.501 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.805 4.900 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.573 6.179 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.091 4.511 1.316 1.00 0.00 H new ATOM 677 N ARG A 45 4.392 5.173 -2.938 1.00 0.00 N ATOM 678 CA ARG A 45 3.489 5.505 -4.052 1.00 0.00 C ATOM 679 C ARG A 45 2.124 4.830 -3.866 1.00 0.00 C ATOM 680 O ARG A 45 1.078 5.407 -4.200 1.00 0.00 O ATOM 681 CB ARG A 45 4.159 5.077 -5.381 1.00 0.00 C ATOM 682 CG ARG A 45 3.612 5.780 -6.641 1.00 0.00 C ATOM 683 CD ARG A 45 4.560 5.629 -7.855 1.00 0.00 C ATOM 684 NE ARG A 45 5.970 5.953 -7.508 1.00 0.00 N ATOM 685 CZ ARG A 45 6.429 7.156 -7.071 1.00 0.00 C ATOM 686 NH1 ARG A 45 5.672 8.246 -7.141 1.00 0.00 N ATOM 687 NH2 ARG A 45 7.670 7.257 -6.604 1.00 0.00 N ATOM 0 H ARG A 45 5.078 4.457 -3.177 1.00 0.00 H new ATOM 0 HA ARG A 45 3.311 6.580 -4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.229 5.271 -5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.038 4.001 -5.502 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.636 5.365 -6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.463 6.839 -6.428 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.505 4.608 -8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.225 6.284 -8.659 1.00 0.00 H new ATOM 0 HE ARG A 45 6.655 5.204 -7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.730 8.189 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.033 9.140 -6.808 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.272 6.434 -6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.019 8.157 -6.275 1.00 0.00 H new ATOM 701 N ILE A 46 2.164 3.603 -3.317 1.00 0.00 N ATOM 702 CA ILE A 46 0.965 2.840 -2.930 1.00 0.00 C ATOM 703 C ILE A 46 0.243 3.585 -1.798 1.00 0.00 C ATOM 704 O ILE A 46 -0.961 3.773 -1.843 1.00 0.00 O ATOM 705 CB ILE A 46 1.338 1.379 -2.456 1.00 0.00 C ATOM 706 CG1 ILE A 46 2.002 0.578 -3.622 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.104 0.621 -1.889 1.00 0.00 C ATOM 708 CD1 ILE A 46 2.525 -0.797 -3.233 1.00 0.00 C ATOM 0 H ILE A 46 3.036 3.110 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 46 0.314 2.751 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 46 2.059 1.469 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.274 0.461 -4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.828 1.165 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.404 -0.379 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.296 1.166 -1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.662 0.544 -2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.968 -1.278 -4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.280 -0.692 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.702 -1.407 -2.861 1.00 0.00 H new ATOM 720 N GLU A 47 1.052 4.047 -0.831 1.00 0.00 N ATOM 721 CA GLU A 47 0.613 4.740 0.394 1.00 0.00 C ATOM 722 C GLU A 47 -0.243 5.966 0.020 1.00 0.00 C ATOM 723 O GLU A 47 -1.404 6.060 0.414 1.00 0.00 O ATOM 724 CB GLU A 47 1.874 5.155 1.249 1.00 0.00 C ATOM 725 CG GLU A 47 1.900 4.680 2.722 1.00 0.00 C ATOM 726 CD GLU A 47 0.775 5.286 3.579 1.00 0.00 C ATOM 727 OE1 GLU A 47 -0.360 4.755 3.563 1.00 0.00 O ATOM 728 OE2 GLU A 47 1.021 6.292 4.290 1.00 0.00 O ATOM 0 H GLU A 47 2.066 3.945 -0.881 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.001 4.072 0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.764 4.771 0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.948 6.242 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.821 3.593 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.863 4.939 3.163 1.00 0.00 H new ATOM 735 N ARG A 48 0.346 6.854 -0.810 1.00 0.00 N ATOM 736 CA ARG A 48 -0.337 8.052 -1.338 1.00 0.00 C ATOM 737 C ARG A 48 -1.677 7.678 -1.995 1.00 0.00 C ATOM 738 O ARG A 48 -2.733 8.149 -1.567 1.00 0.00 O ATOM 739 CB ARG A 48 0.583 8.805 -2.351 1.00 0.00 C ATOM 740 CG ARG A 48 -0.120 9.962 -3.119 1.00 0.00 C ATOM 741 CD ARG A 48 0.844 10.841 -3.928 1.00 0.00 C ATOM 742 NE ARG A 48 1.658 10.044 -4.856 1.00 0.00 N ATOM 743 CZ ARG A 48 1.624 10.100 -6.199 1.00 0.00 C ATOM 744 NH1 ARG A 48 0.744 10.869 -6.845 1.00 0.00 N ATOM 745 NH2 ARG A 48 2.493 9.370 -6.882 1.00 0.00 N ATOM 0 H ARG A 48 1.309 6.759 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.547 8.719 -0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.440 9.210 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.970 8.088 -3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.865 9.539 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.656 10.588 -2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.276 11.584 -4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.497 11.386 -3.247 1.00 0.00 H new ATOM 0 HE ARG A 48 2.314 9.383 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.076 11.432 -6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.740 10.893 -7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.166 8.784 -6.388 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.489 9.394 -7.902 1.00 0.00 H new ATOM 759 N ASP A 49 -1.616 6.764 -2.973 1.00 0.00 N ATOM 760 CA ASP A 49 -2.783 6.367 -3.793 1.00 0.00 C ATOM 761 C ASP A 49 -3.933 5.790 -2.931 1.00 0.00 C ATOM 762 O ASP A 49 -5.098 6.109 -3.163 1.00 0.00 O ATOM 763 CB ASP A 49 -2.324 5.356 -4.883 1.00 0.00 C ATOM 764 CG ASP A 49 -3.444 4.798 -5.796 1.00 0.00 C ATOM 765 OD1 ASP A 49 -4.389 5.537 -6.145 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.366 3.618 -6.197 1.00 0.00 O ATOM 0 H ASP A 49 -0.757 6.274 -3.223 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.185 7.257 -4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.577 5.841 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.831 4.518 -4.390 1.00 0.00 H new ATOM 771 N GLU A 50 -3.577 5.004 -1.906 1.00 0.00 N ATOM 772 CA GLU A 50 -4.548 4.379 -0.989 1.00 0.00 C ATOM 773 C GLU A 50 -5.251 5.428 -0.097 1.00 0.00 C ATOM 774 O GLU A 50 -6.452 5.329 0.152 1.00 0.00 O ATOM 775 CB GLU A 50 -3.857 3.303 -0.118 1.00 0.00 C ATOM 776 CG GLU A 50 -3.352 2.063 -0.882 1.00 0.00 C ATOM 777 CD GLU A 50 -4.474 1.289 -1.593 1.00 0.00 C ATOM 778 OE1 GLU A 50 -5.120 0.430 -0.950 1.00 0.00 O ATOM 779 OE2 GLU A 50 -4.717 1.532 -2.802 1.00 0.00 O ATOM 0 H GLU A 50 -2.606 4.781 -1.686 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.314 3.900 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.012 3.762 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.558 2.976 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.612 2.375 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.846 1.396 -0.184 1.00 0.00 H new ATOM 786 N ARG A 51 -4.495 6.438 0.358 1.00 0.00 N ATOM 787 CA ARG A 51 -5.004 7.487 1.277 1.00 0.00 C ATOM 788 C ARG A 51 -5.925 8.486 0.543 1.00 0.00 C ATOM 789 O ARG A 51 -6.941 8.924 1.088 1.00 0.00 O ATOM 790 CB ARG A 51 -3.813 8.222 1.934 1.00 0.00 C ATOM 791 CG ARG A 51 -2.907 7.305 2.778 1.00 0.00 C ATOM 792 CD ARG A 51 -1.661 8.029 3.299 1.00 0.00 C ATOM 793 NE ARG A 51 -1.992 9.023 4.327 1.00 0.00 N ATOM 794 CZ ARG A 51 -1.536 9.012 5.581 1.00 0.00 C ATOM 795 NH1 ARG A 51 -0.655 8.104 5.981 1.00 0.00 N ATOM 796 NH2 ARG A 51 -1.959 9.922 6.436 1.00 0.00 N ATOM 0 H ARG A 51 -3.514 6.558 0.104 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.602 7.006 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.213 8.692 1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.196 9.022 2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.476 6.915 3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.601 6.449 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.964 7.300 3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.154 8.521 2.469 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.620 9.782 4.062 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.316 7.400 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.317 8.110 6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.631 10.629 6.138 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.614 9.919 7.396 1.00 0.00 H new ATOM 810 N LEU A 52 -5.554 8.821 -0.704 1.00 0.00 N ATOM 811 CA LEU A 52 -6.324 9.747 -1.561 1.00 0.00 C ATOM 812 C LEU A 52 -7.652 9.102 -2.010 1.00 0.00 C ATOM 813 O LEU A 52 -8.694 9.769 -2.030 1.00 0.00 O ATOM 814 CB LEU A 52 -5.471 10.202 -2.784 1.00 0.00 C ATOM 815 CG LEU A 52 -4.472 11.392 -2.559 1.00 0.00 C ATOM 816 CD1 LEU A 52 -3.455 11.133 -1.438 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.774 11.761 -3.883 1.00 0.00 C ATOM 0 H LEU A 52 -4.711 8.459 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.569 10.634 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.899 9.343 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.153 10.481 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.065 12.243 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.797 11.996 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.983 10.968 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.862 10.251 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.084 12.588 -3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.222 10.898 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.522 12.058 -4.618 1.00 0.00 H new ATOM 829 N ARG A 53 -7.616 7.792 -2.349 1.00 0.00 N ATOM 830 CA ARG A 53 -8.837 7.046 -2.746 1.00 0.00 C ATOM 831 C ARG A 53 -9.693 6.708 -1.510 1.00 0.00 C ATOM 832 O ARG A 53 -10.887 6.449 -1.638 1.00 0.00 O ATOM 833 CB ARG A 53 -8.494 5.754 -3.546 1.00 0.00 C ATOM 834 CG ARG A 53 -7.820 4.628 -2.734 1.00 0.00 C ATOM 835 CD ARG A 53 -7.569 3.360 -3.567 1.00 0.00 C ATOM 836 NE ARG A 53 -6.790 3.633 -4.792 1.00 0.00 N ATOM 837 CZ ARG A 53 -6.789 2.858 -5.891 1.00 0.00 C ATOM 838 NH1 ARG A 53 -7.408 1.680 -5.901 1.00 0.00 N ATOM 839 NH2 ARG A 53 -6.137 3.251 -6.970 1.00 0.00 N ATOM 0 H ARG A 53 -6.763 7.232 -2.356 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.415 7.694 -3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.413 5.363 -3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.838 6.024 -4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.871 4.990 -2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.448 4.377 -1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.038 2.628 -2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.525 2.913 -3.840 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.210 4.472 -4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.893 1.352 -5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.397 1.105 -6.744 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.636 4.140 -6.968 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.134 2.666 -7.805 1.00 0.00 H new ATOM 853 N ALA A 54 -9.067 6.708 -0.308 1.00 0.00 N ATOM 854 CA ALA A 54 -9.787 6.536 0.976 1.00 0.00 C ATOM 855 C ALA A 54 -10.687 7.752 1.257 1.00 0.00 C ATOM 856 O ALA A 54 -11.689 7.642 1.970 1.00 0.00 O ATOM 857 CB ALA A 54 -8.802 6.309 2.137 1.00 0.00 C ATOM 0 H ALA A 54 -8.059 6.826 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.418 5.651 0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.358 6.186 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.213 5.412 1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.137 7.168 2.223 1.00 0.00 H new ATOM 863 N CYS A 55 -10.301 8.903 0.678 1.00 0.00 N ATOM 864 CA CYS A 55 -11.044 10.171 0.770 1.00 0.00 C ATOM 865 C CYS A 55 -11.991 10.371 -0.429 1.00 0.00 C ATOM 866 O CYS A 55 -12.457 11.486 -0.669 1.00 0.00 O ATOM 867 CB CYS A 55 -10.033 11.334 0.865 1.00 0.00 C ATOM 868 SG CYS A 55 -8.880 11.180 2.241 1.00 0.00 S ATOM 0 H CYS A 55 -9.448 8.979 0.123 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.669 10.146 1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.469 11.390 -0.066 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.580 12.272 0.964 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.782 11.817 1.960 1.00 0.00 H new ATOM 874 N ASP A 56 -12.304 9.288 -1.161 1.00 0.00 N ATOM 875 CA ASP A 56 -13.237 9.349 -2.313 1.00 0.00 C ATOM 876 C ASP A 56 -14.636 9.809 -1.842 1.00 0.00 C ATOM 877 O ASP A 56 -15.268 10.650 -2.488 1.00 0.00 O ATOM 878 CB ASP A 56 -13.325 7.967 -3.007 1.00 0.00 C ATOM 879 CG ASP A 56 -14.274 7.951 -4.222 1.00 0.00 C ATOM 880 OD1 ASP A 56 -13.836 8.336 -5.331 1.00 0.00 O ATOM 881 OD2 ASP A 56 -15.455 7.554 -4.073 1.00 0.00 O ATOM 0 H ASP A 56 -11.928 8.357 -0.980 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.858 10.073 -3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.328 7.667 -3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.662 7.226 -2.282 1.00 0.00 H new ATOM 886 N TRP A 57 -15.052 9.293 -0.664 1.00 0.00 N ATOM 887 CA TRP A 57 -16.394 9.529 -0.077 1.00 0.00 C ATOM 888 C TRP A 57 -16.722 11.032 0.076 1.00 0.00 C ATOM 889 O TRP A 57 -17.878 11.432 -0.039 1.00 0.00 O ATOM 890 CB TRP A 57 -16.511 8.812 1.308 1.00 0.00 C ATOM 891 CG TRP A 57 -15.669 9.428 2.422 1.00 0.00 C ATOM 892 CD1 TRP A 57 -14.362 9.157 2.728 1.00 0.00 C ATOM 893 CD2 TRP A 57 -16.085 10.451 3.351 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.952 9.934 3.785 1.00 0.00 N ATOM 895 CE2 TRP A 57 -14.989 10.733 4.183 1.00 0.00 C ATOM 896 CE3 TRP A 57 -17.283 11.150 3.556 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -15.056 11.687 5.197 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.345 12.095 4.560 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.238 12.356 5.372 1.00 0.00 C ATOM 0 H TRP A 57 -14.461 8.695 -0.087 1.00 0.00 H new ATOM 0 HA TRP A 57 -17.122 9.111 -0.772 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -17.556 8.818 1.617 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -16.220 7.769 1.187 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.743 8.437 2.213 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.023 9.918 4.206 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -18.145 10.952 2.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.202 11.892 5.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.263 12.641 4.721 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.316 13.099 6.152 1.00 0.00 H new ATOM 910 N THR A 58 -15.684 11.840 0.365 1.00 0.00 N ATOM 911 CA THR A 58 -15.811 13.289 0.615 1.00 0.00 C ATOM 912 C THR A 58 -15.530 14.103 -0.658 1.00 0.00 C ATOM 913 O THR A 58 -16.061 15.202 -0.821 1.00 0.00 O ATOM 914 CB THR A 58 -14.870 13.753 1.789 1.00 0.00 C ATOM 915 OG1 THR A 58 -14.862 15.183 1.915 1.00 0.00 O ATOM 916 CG2 THR A 58 -13.430 13.251 1.638 1.00 0.00 C ATOM 0 H THR A 58 -14.724 11.502 0.432 1.00 0.00 H new ATOM 0 HA THR A 58 -16.842 13.476 0.915 1.00 0.00 H new ATOM 0 HB THR A 58 -15.285 13.306 2.692 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.378 15.437 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.832 13.604 2.478 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.424 12.161 1.621 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.008 13.630 0.707 1.00 0.00 H new ATOM 924 N GLN A 59 -14.714 13.545 -1.569 1.00 0.00 N ATOM 925 CA GLN A 59 -14.293 14.245 -2.802 1.00 0.00 C ATOM 926 C GLN A 59 -15.292 14.063 -3.958 1.00 0.00 C ATOM 927 O GLN A 59 -15.124 14.667 -5.024 1.00 0.00 O ATOM 928 CB GLN A 59 -12.858 13.805 -3.211 1.00 0.00 C ATOM 929 CG GLN A 59 -11.777 14.153 -2.163 1.00 0.00 C ATOM 930 CD GLN A 59 -11.699 15.647 -1.832 1.00 0.00 C ATOM 931 OE1 GLN A 59 -11.927 16.509 -2.683 1.00 0.00 O ATOM 932 NE2 GLN A 59 -11.397 15.966 -0.586 1.00 0.00 N ATOM 0 H GLN A 59 -14.329 12.605 -1.476 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.279 15.312 -2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.853 12.728 -3.381 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.599 14.279 -4.158 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.979 13.597 -1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.806 13.820 -2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.213 15.232 0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.348 16.946 -0.308 1.00 0.00 H new ATOM 941 N VAL A 60 -16.326 13.231 -3.743 1.00 0.00 N ATOM 942 CA VAL A 60 -17.446 13.084 -4.693 1.00 0.00 C ATOM 943 C VAL A 60 -18.515 14.172 -4.462 1.00 0.00 C ATOM 944 O VAL A 60 -18.580 14.786 -3.390 1.00 0.00 O ATOM 945 CB VAL A 60 -18.123 11.664 -4.596 1.00 0.00 C ATOM 946 CG1 VAL A 60 -17.153 10.548 -5.054 1.00 0.00 C ATOM 947 CG2 VAL A 60 -18.666 11.393 -3.168 1.00 0.00 C ATOM 0 H VAL A 60 -16.410 12.645 -2.913 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.022 13.196 -5.691 1.00 0.00 H new ATOM 0 HB VAL A 60 -18.975 11.658 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -17.649 9.580 -4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.860 10.723 -6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -16.266 10.554 -4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -19.127 10.406 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.845 11.434 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -19.409 12.149 -2.912 1.00 0.00 H new ATOM 957 N GLN A 61 -19.355 14.384 -5.491 1.00 0.00 N ATOM 958 CA GLN A 61 -20.520 15.287 -5.422 1.00 0.00 C ATOM 959 C GLN A 61 -21.715 14.592 -4.730 1.00 0.00 C ATOM 960 O GLN A 61 -22.668 15.255 -4.312 1.00 0.00 O ATOM 961 CB GLN A 61 -20.922 15.757 -6.846 1.00 0.00 C ATOM 962 CG GLN A 61 -21.362 14.628 -7.807 1.00 0.00 C ATOM 963 CD GLN A 61 -21.853 15.129 -9.172 1.00 0.00 C ATOM 964 OE1 GLN A 61 -22.393 16.234 -9.294 1.00 0.00 O ATOM 965 NE2 GLN A 61 -21.695 14.307 -10.201 1.00 0.00 N ATOM 0 H GLN A 61 -19.245 13.932 -6.399 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.242 16.158 -4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -21.736 16.477 -6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.077 16.283 -7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.524 13.948 -7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.158 14.052 -7.335 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.245 13.402 -10.066 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -22.024 14.580 -11.127 1.00 0.00 H new ATOM 974 N ASP A 62 -21.641 13.246 -4.634 1.00 0.00 N ATOM 975 CA ASP A 62 -22.674 12.389 -4.004 1.00 0.00 C ATOM 976 C ASP A 62 -22.913 12.780 -2.529 1.00 0.00 C ATOM 977 O ASP A 62 -24.052 12.750 -2.046 1.00 0.00 O ATOM 978 CB ASP A 62 -22.240 10.897 -4.115 1.00 0.00 C ATOM 979 CG ASP A 62 -23.183 9.907 -3.400 1.00 0.00 C ATOM 980 OD1 ASP A 62 -24.236 9.548 -3.967 1.00 0.00 O ATOM 981 OD2 ASP A 62 -22.871 9.475 -2.268 1.00 0.00 O ATOM 0 H ASP A 62 -20.850 12.715 -4.997 1.00 0.00 H new ATOM 0 HA ASP A 62 -23.617 12.534 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -22.179 10.626 -5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -21.238 10.790 -3.700 1.00 0.00 H new ATOM 986 N VAL A 63 -21.829 13.157 -1.832 1.00 0.00 N ATOM 987 CA VAL A 63 -21.875 13.545 -0.413 1.00 0.00 C ATOM 988 C VAL A 63 -22.254 15.040 -0.258 1.00 0.00 C ATOM 989 O VAL A 63 -21.947 15.861 -1.136 1.00 0.00 O ATOM 990 CB VAL A 63 -20.492 13.259 0.289 1.00 0.00 C ATOM 991 CG1 VAL A 63 -19.375 14.197 -0.232 1.00 0.00 C ATOM 992 CG2 VAL A 63 -20.609 13.330 1.827 1.00 0.00 C ATOM 0 H VAL A 63 -20.894 13.201 -2.238 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.644 12.943 0.072 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.209 12.240 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -18.439 13.967 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -19.249 14.052 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.649 15.233 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -19.636 13.128 2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.944 14.325 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -21.329 12.588 2.172 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.929 15.381 0.859 1.00 0.00 N ATOM 1003 CA VAL A 64 -23.220 16.776 1.235 1.00 0.00 C ATOM 1004 C VAL A 64 -22.442 17.138 2.519 1.00 0.00 C ATOM 1005 O VAL A 64 -22.786 16.726 3.634 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.775 17.055 1.379 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -25.489 16.028 2.287 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -25.044 18.513 1.842 1.00 0.00 C ATOM 0 H VAL A 64 -23.287 14.696 1.524 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.882 17.425 0.427 1.00 0.00 H new ATOM 0 HB VAL A 64 -25.206 16.932 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -26.550 16.271 2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -25.369 15.028 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.053 16.060 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.118 18.674 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -24.570 18.681 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.633 19.209 1.111 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.345 17.876 2.324 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.501 18.425 3.402 1.00 0.00 C ATOM 1020 C LEU A 65 -20.347 19.928 3.175 1.00 0.00 C ATOM 1021 O LEU A 65 -20.693 20.425 2.095 1.00 0.00 O ATOM 1022 CB LEU A 65 -19.105 17.742 3.383 1.00 0.00 C ATOM 1023 CG LEU A 65 -19.079 16.216 3.700 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.713 15.601 3.363 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -19.459 15.939 5.168 1.00 0.00 C ATOM 0 H LEU A 65 -21.007 18.117 1.392 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.965 18.238 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.663 17.895 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.465 18.252 4.103 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.828 15.739 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.726 14.536 3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.504 15.739 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.938 16.091 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.431 14.865 5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.751 16.441 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.464 16.315 5.361 1.00 0.00 H new ATOM 1037 N THR A 66 -19.809 20.650 4.165 1.00 0.00 N ATOM 1038 CA THR A 66 -19.498 22.081 4.007 1.00 0.00 C ATOM 1039 C THR A 66 -18.263 22.238 3.099 1.00 0.00 C ATOM 1040 O THR A 66 -17.468 21.291 2.950 1.00 0.00 O ATOM 1041 CB THR A 66 -19.228 22.784 5.380 1.00 0.00 C ATOM 1042 OG1 THR A 66 -18.102 22.169 6.022 1.00 0.00 O ATOM 1043 CG2 THR A 66 -20.444 22.735 6.322 1.00 0.00 C ATOM 0 H THR A 66 -19.579 20.270 5.083 1.00 0.00 H new ATOM 0 HA THR A 66 -20.367 22.561 3.557 1.00 0.00 H new ATOM 0 HB THR A 66 -19.023 23.834 5.169 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.188 22.262 6.994 1.00 0.00 H new ATOM 0 HG21 THR A 66 -20.200 23.237 7.258 1.00 0.00 H new ATOM 0 HG22 THR A 66 -21.289 23.237 5.851 1.00 0.00 H new ATOM 0 HG23 THR A 66 -20.705 21.696 6.525 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.125 23.424 2.493 1.00 0.00 N ATOM 1052 CA ALA A 67 -16.935 23.777 1.709 1.00 0.00 C ATOM 1053 C ALA A 67 -15.659 23.607 2.560 1.00 0.00 C ATOM 1054 O ALA A 67 -14.662 23.081 2.082 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.054 25.212 1.180 1.00 0.00 C ATOM 0 H ALA A 67 -18.829 24.161 2.532 1.00 0.00 H new ATOM 0 HA ALA A 67 -16.864 23.103 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.165 25.461 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -17.936 25.294 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.146 25.902 2.018 1.00 0.00 H new ATOM 1061 N ASP A 68 -15.750 24.041 3.837 1.00 0.00 N ATOM 1062 CA ASP A 68 -14.666 23.910 4.842 1.00 0.00 C ATOM 1063 C ASP A 68 -14.235 22.437 5.056 1.00 0.00 C ATOM 1064 O ASP A 68 -13.039 22.146 5.059 1.00 0.00 O ATOM 1065 CB ASP A 68 -15.108 24.548 6.189 1.00 0.00 C ATOM 1066 CG ASP A 68 -14.029 24.457 7.296 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -13.065 25.255 7.277 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -14.134 23.577 8.180 1.00 0.00 O ATOM 0 H ASP A 68 -16.585 24.497 4.205 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.797 24.443 4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.359 25.595 6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.016 24.055 6.536 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.217 21.522 5.228 1.00 0.00 N ATOM 1074 CA GLN A 69 -14.946 20.069 5.417 1.00 0.00 C ATOM 1075 C GLN A 69 -14.268 19.483 4.171 1.00 0.00 C ATOM 1076 O GLN A 69 -13.174 18.922 4.248 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.252 19.287 5.733 1.00 0.00 C ATOM 1078 CG GLN A 69 -16.765 19.493 7.164 1.00 0.00 C ATOM 1079 CD GLN A 69 -18.116 18.838 7.423 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -18.189 17.679 7.809 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -19.194 19.586 7.240 1.00 0.00 N ATOM 0 H GLN A 69 -16.209 21.761 5.240 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.274 19.964 6.269 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.027 19.594 5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.077 18.224 5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.034 19.091 7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.844 20.562 7.364 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -19.098 20.549 6.917 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -20.120 19.199 7.422 1.00 0.00 H new ATOM 1090 N LYS A 70 -14.923 19.687 3.027 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.437 19.270 1.697 1.00 0.00 C ATOM 1092 C LYS A 70 -13.055 19.866 1.356 1.00 0.00 C ATOM 1093 O LYS A 70 -12.305 19.264 0.586 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.483 19.632 0.611 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.672 18.652 0.559 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.802 19.099 -0.402 1.00 0.00 C ATOM 1097 CE LYS A 70 -18.674 17.920 -0.874 1.00 0.00 C ATOM 1098 NZ LYS A 70 -17.927 17.015 -1.788 1.00 0.00 N ATOM 0 H LYS A 70 -15.828 20.157 2.991 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.307 18.188 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.858 20.638 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.994 19.651 -0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.310 17.671 0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.083 18.539 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.431 19.835 0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.363 19.593 -1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -19.023 17.356 -0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.559 18.303 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.596 16.390 -2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.404 17.581 -2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.258 16.440 -1.237 1.00 0.00 H new ATOM 1112 N ALA A 71 -12.723 21.021 1.969 1.00 0.00 N ATOM 1113 CA ALA A 71 -11.465 21.751 1.698 1.00 0.00 C ATOM 1114 C ALA A 71 -10.337 21.155 2.556 1.00 0.00 C ATOM 1115 O ALA A 71 -9.205 21.032 2.106 1.00 0.00 O ATOM 1116 CB ALA A 71 -11.617 23.250 2.002 1.00 0.00 C ATOM 0 H ALA A 71 -13.317 21.474 2.664 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.222 21.645 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.677 23.761 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.405 23.670 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -11.877 23.384 3.052 1.00 0.00 H new ATOM 1122 N THR A 72 -10.669 20.883 3.831 1.00 0.00 N ATOM 1123 CA THR A 72 -9.775 20.196 4.788 1.00 0.00 C ATOM 1124 C THR A 72 -9.355 18.805 4.255 1.00 0.00 C ATOM 1125 O THR A 72 -8.190 18.407 4.361 1.00 0.00 O ATOM 1126 CB THR A 72 -10.440 20.047 6.196 1.00 0.00 C ATOM 1127 OG1 THR A 72 -10.959 21.313 6.628 1.00 0.00 O ATOM 1128 CG2 THR A 72 -9.438 19.545 7.240 1.00 0.00 C ATOM 0 H THR A 72 -11.572 21.135 4.232 1.00 0.00 H new ATOM 0 HA THR A 72 -8.886 20.817 4.895 1.00 0.00 H new ATOM 0 HB THR A 72 -11.245 19.318 6.103 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.793 21.505 6.151 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.934 19.453 8.206 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.053 18.572 6.936 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.613 20.252 7.322 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.323 18.095 3.659 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.084 16.797 3.009 1.00 0.00 C ATOM 1138 C TRP A 73 -9.336 16.979 1.672 1.00 0.00 C ATOM 1139 O TRP A 73 -8.518 16.133 1.289 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.416 16.042 2.805 1.00 0.00 C ATOM 1141 CG TRP A 73 -11.997 15.466 4.080 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -13.056 15.933 4.811 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.535 14.290 4.765 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.276 15.126 5.894 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.355 14.112 5.890 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.508 13.369 4.529 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.180 13.055 6.782 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.336 12.324 5.415 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.172 12.170 6.530 1.00 0.00 C ATOM 0 H TRP A 73 -11.294 18.404 3.613 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.451 16.197 3.662 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.143 16.722 2.361 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.258 15.233 2.091 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.635 16.812 4.568 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -14.008 15.258 6.592 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.862 13.474 3.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.821 12.940 7.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.542 11.612 5.246 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.016 11.338 7.200 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.623 18.095 0.969 1.00 0.00 N ATOM 1161 CA ALA A 74 -8.896 18.489 -0.262 1.00 0.00 C ATOM 1162 C ALA A 74 -7.463 18.937 0.070 1.00 0.00 C ATOM 1163 O ALA A 74 -6.577 18.840 -0.771 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.647 19.601 -1.014 1.00 0.00 C ATOM 0 H ALA A 74 -10.361 18.747 1.235 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.842 17.616 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.092 19.871 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.639 19.246 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.743 20.475 -0.370 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.247 19.388 1.320 1.00 0.00 N ATOM 1171 CA LYS A 75 -5.927 19.815 1.813 1.00 0.00 C ATOM 1172 C LYS A 75 -5.112 18.579 2.189 1.00 0.00 C ATOM 1173 O LYS A 75 -3.916 18.530 1.948 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.060 20.753 3.047 1.00 0.00 C ATOM 1175 CG LYS A 75 -4.709 21.141 3.699 1.00 0.00 C ATOM 1176 CD LYS A 75 -4.851 22.076 4.921 1.00 0.00 C ATOM 1177 CE LYS A 75 -5.439 23.451 4.561 1.00 0.00 C ATOM 1178 NZ LYS A 75 -4.627 24.162 3.533 1.00 0.00 N ATOM 0 H LYS A 75 -7.987 19.466 2.018 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.424 20.372 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.579 21.662 2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.684 20.264 3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.191 20.233 4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.082 21.628 2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.488 21.598 5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.873 22.215 5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.457 23.323 4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.500 24.064 5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.960 25.144 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.627 24.159 3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.727 23.680 2.617 1.00 0.00 H new ATOM 1192 N TYR A 76 -5.800 17.583 2.783 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.195 16.313 3.201 1.00 0.00 C ATOM 1194 C TYR A 76 -4.484 15.656 2.016 1.00 0.00 C ATOM 1195 O TYR A 76 -3.287 15.387 2.072 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.289 15.371 3.776 1.00 0.00 C ATOM 1197 CG TYR A 76 -5.836 13.921 4.021 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -4.856 13.632 4.959 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.381 12.851 3.303 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.445 12.332 5.180 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -5.970 11.549 3.530 1.00 0.00 C ATOM 1202 CZ TYR A 76 -5.000 11.298 4.468 1.00 0.00 C ATOM 1203 OH TYR A 76 -4.598 10.005 4.714 1.00 0.00 O ATOM 0 H TYR A 76 -6.798 17.643 2.985 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.458 16.505 3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.648 15.788 4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.135 15.360 3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.408 14.435 5.525 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.137 13.045 2.557 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.683 12.128 5.917 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.410 10.735 2.972 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.340 9.392 4.533 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.253 15.459 0.941 1.00 0.00 N ATOM 1214 CA ARG A 77 -4.793 14.769 -0.267 1.00 0.00 C ATOM 1215 C ARG A 77 -3.748 15.595 -1.063 1.00 0.00 C ATOM 1216 O ARG A 77 -2.733 15.052 -1.505 1.00 0.00 O ATOM 1217 CB ARG A 77 -6.020 14.398 -1.142 1.00 0.00 C ATOM 1218 CG ARG A 77 -6.918 15.578 -1.559 1.00 0.00 C ATOM 1219 CD ARG A 77 -8.154 15.133 -2.350 1.00 0.00 C ATOM 1220 NE ARG A 77 -7.780 14.399 -3.573 1.00 0.00 N ATOM 1221 CZ ARG A 77 -8.056 13.118 -3.836 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -8.799 12.396 -2.995 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -7.586 12.568 -4.941 1.00 0.00 N ATOM 0 H ARG A 77 -6.221 15.777 0.885 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.278 13.857 0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.664 13.899 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.628 13.676 -0.597 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.238 16.118 -0.668 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.337 16.275 -2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.780 14.499 -1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.750 16.006 -2.617 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.263 14.917 -4.284 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.162 12.821 -2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.004 11.419 -3.205 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.018 13.120 -5.584 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.791 11.591 -5.151 1.00 0.00 H new ATOM 1237 N GLN A 78 -4.008 16.908 -1.238 1.00 0.00 N ATOM 1238 CA GLN A 78 -3.142 17.813 -2.029 1.00 0.00 C ATOM 1239 C GLN A 78 -1.775 18.040 -1.356 1.00 0.00 C ATOM 1240 O GLN A 78 -0.730 17.957 -2.011 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.874 19.164 -2.256 1.00 0.00 C ATOM 1242 CG GLN A 78 -3.172 20.137 -3.226 1.00 0.00 C ATOM 1243 CD GLN A 78 -2.973 19.591 -4.647 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -2.017 19.949 -5.327 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -3.875 18.732 -5.116 1.00 0.00 N ATOM 0 H GLN A 78 -4.823 17.372 -0.836 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.946 17.339 -2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.875 18.957 -2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.994 19.660 -1.293 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.755 21.056 -3.283 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.199 20.402 -2.813 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.662 18.449 -4.532 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.780 18.357 -6.060 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.801 18.324 -0.042 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.579 18.538 0.765 1.00 0.00 C ATOM 1256 C ALA A 79 0.276 17.267 0.808 1.00 0.00 C ATOM 1257 O ALA A 79 1.501 17.339 0.767 1.00 0.00 O ATOM 1258 CB ALA A 79 -0.923 19.002 2.186 1.00 0.00 C ATOM 0 H ALA A 79 -2.665 18.412 0.492 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.001 19.327 0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.004 19.150 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.475 19.940 2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.535 18.245 2.678 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.395 16.111 0.899 1.00 0.00 N ATOM 1265 CA LEU A 80 0.226 14.774 0.825 1.00 0.00 C ATOM 1266 C LEU A 80 1.050 14.616 -0.481 1.00 0.00 C ATOM 1267 O LEU A 80 2.165 14.084 -0.458 1.00 0.00 O ATOM 1268 CB LEU A 80 -0.934 13.733 0.941 1.00 0.00 C ATOM 1269 CG LEU A 80 -0.602 12.264 1.335 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -1.860 11.541 1.868 1.00 0.00 C ATOM 1271 CD2 LEU A 80 0.014 11.484 0.163 1.00 0.00 C ATOM 0 H LEU A 80 -1.406 16.074 1.029 1.00 0.00 H new ATOM 0 HA LEU A 80 0.939 14.618 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.646 14.116 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.448 13.706 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 80 0.141 12.302 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.604 10.516 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.235 12.064 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.629 11.532 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.231 10.464 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.689 11.464 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.937 11.970 -0.152 1.00 0.00 H new ATOM 1283 N ARG A 81 0.493 15.114 -1.606 1.00 0.00 N ATOM 1284 CA ARG A 81 1.162 15.078 -2.932 1.00 0.00 C ATOM 1285 C ARG A 81 2.300 16.114 -3.025 1.00 0.00 C ATOM 1286 O ARG A 81 3.252 15.935 -3.791 1.00 0.00 O ATOM 1287 CB ARG A 81 0.145 15.349 -4.064 1.00 0.00 C ATOM 1288 CG ARG A 81 -1.025 14.352 -4.131 1.00 0.00 C ATOM 1289 CD ARG A 81 -1.994 14.666 -5.279 1.00 0.00 C ATOM 1290 NE ARG A 81 -1.356 14.533 -6.595 1.00 0.00 N ATOM 1291 CZ ARG A 81 -1.994 14.426 -7.774 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -3.328 14.475 -7.837 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -1.283 14.276 -8.885 1.00 0.00 N ATOM 0 H ARG A 81 -0.428 15.551 -1.625 1.00 0.00 H new ATOM 0 HA ARG A 81 1.586 14.080 -3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.259 16.354 -3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.672 15.334 -5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.633 13.343 -4.256 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.568 14.368 -3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.851 13.995 -5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.376 15.680 -5.163 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.336 14.521 -6.617 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.875 14.595 -6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.799 14.393 -8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.265 14.243 -8.838 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.755 14.194 -9.785 1.00 0.00 H new ATOM 1307 N ASP A 82 2.164 17.210 -2.248 1.00 0.00 N ATOM 1308 CA ASP A 82 3.157 18.308 -2.193 1.00 0.00 C ATOM 1309 C ASP A 82 4.508 17.779 -1.660 1.00 0.00 C ATOM 1310 O ASP A 82 5.578 18.282 -2.040 1.00 0.00 O ATOM 1311 CB ASP A 82 2.612 19.466 -1.311 1.00 0.00 C ATOM 1312 CG ASP A 82 3.493 20.729 -1.322 1.00 0.00 C ATOM 1313 OD1 ASP A 82 3.348 21.553 -2.248 1.00 0.00 O ATOM 1314 OD2 ASP A 82 4.315 20.914 -0.400 1.00 0.00 O ATOM 0 H ASP A 82 1.360 17.360 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 82 3.326 18.696 -3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.612 19.730 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.514 19.112 -0.285 1.00 0.00 H new ATOM 1319 N LEU A 83 4.444 16.747 -0.785 1.00 0.00 N ATOM 1320 CA LEU A 83 5.632 15.995 -0.336 1.00 0.00 C ATOM 1321 C LEU A 83 6.115 15.068 -1.480 1.00 0.00 C ATOM 1322 O LEU A 83 5.358 14.187 -1.910 1.00 0.00 O ATOM 1323 CB LEU A 83 5.314 15.158 0.934 1.00 0.00 C ATOM 1324 CG LEU A 83 6.471 14.245 1.476 1.00 0.00 C ATOM 1325 CD1 LEU A 83 7.721 15.059 1.890 1.00 0.00 C ATOM 1326 CD2 LEU A 83 5.975 13.359 2.631 1.00 0.00 C ATOM 0 H LEU A 83 3.571 16.417 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 83 6.420 16.704 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.018 15.842 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.452 14.526 0.720 1.00 0.00 H new ATOM 0 HG LEU A 83 6.778 13.597 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.491 14.381 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.101 15.606 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.452 15.764 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.794 12.736 2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.616 13.989 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.163 12.723 2.279 1.00 0.00 H new ATOM 1338 N PRO A 84 7.368 15.271 -2.011 1.00 0.00 N ATOM 1339 CA PRO A 84 7.931 14.409 -3.074 1.00 0.00 C ATOM 1340 C PRO A 84 8.266 12.985 -2.567 1.00 0.00 C ATOM 1341 O PRO A 84 9.295 12.753 -1.924 1.00 0.00 O ATOM 1342 CB PRO A 84 9.190 15.190 -3.543 1.00 0.00 C ATOM 1343 CG PRO A 84 9.598 15.985 -2.337 1.00 0.00 C ATOM 1344 CD PRO A 84 8.311 16.367 -1.639 1.00 0.00 C ATOM 0 HA PRO A 84 7.226 14.229 -3.886 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.983 14.513 -3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.965 15.838 -4.390 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.239 15.397 -1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.164 16.871 -2.626 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.445 16.431 -0.559 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.947 17.339 -1.973 1.00 0.00 H new ATOM 1352 N GLU A 85 7.332 12.055 -2.815 1.00 0.00 N ATOM 1353 CA GLU A 85 7.555 10.603 -2.647 1.00 0.00 C ATOM 1354 C GLU A 85 8.082 9.992 -3.970 1.00 0.00 C ATOM 1355 O GLU A 85 8.464 8.819 -4.032 1.00 0.00 O ATOM 1356 CB GLU A 85 6.239 9.915 -2.146 1.00 0.00 C ATOM 1357 CG GLU A 85 4.931 10.313 -2.888 1.00 0.00 C ATOM 1358 CD GLU A 85 4.793 9.735 -4.311 1.00 0.00 C ATOM 1359 OE1 GLU A 85 4.291 8.610 -4.459 1.00 0.00 O ATOM 1360 OE2 GLU A 85 5.157 10.411 -5.293 1.00 0.00 O ATOM 0 H GLU A 85 6.393 12.286 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 85 8.317 10.429 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.364 8.835 -2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.115 10.142 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.078 9.985 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.879 11.400 -2.946 1.00 0.00 H new ATOM 1367 N THR A 86 8.085 10.831 -5.026 1.00 0.00 N ATOM 1368 CA THR A 86 8.566 10.481 -6.370 1.00 0.00 C ATOM 1369 C THR A 86 10.109 10.535 -6.464 1.00 0.00 C ATOM 1370 O THR A 86 10.682 10.212 -7.510 1.00 0.00 O ATOM 1371 CB THR A 86 7.886 11.414 -7.438 1.00 0.00 C ATOM 1372 OG1 THR A 86 8.273 11.041 -8.772 1.00 0.00 O ATOM 1373 CG2 THR A 86 8.195 12.906 -7.203 1.00 0.00 C ATOM 0 H THR A 86 7.745 11.791 -4.962 1.00 0.00 H new ATOM 0 HA THR A 86 8.283 9.449 -6.578 1.00 0.00 H new ATOM 0 HB THR A 86 6.811 11.277 -7.324 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.188 10.690 -8.761 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.701 13.505 -7.968 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.831 13.202 -6.219 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.272 13.067 -7.255 1.00 0.00 H new ATOM 1381 N VAL A 87 10.779 10.924 -5.359 1.00 0.00 N ATOM 1382 CA VAL A 87 12.253 10.994 -5.287 1.00 0.00 C ATOM 1383 C VAL A 87 12.816 9.866 -4.394 1.00 0.00 C ATOM 1384 O VAL A 87 12.153 9.407 -3.452 1.00 0.00 O ATOM 1385 CB VAL A 87 12.746 12.395 -4.751 1.00 0.00 C ATOM 1386 CG1 VAL A 87 12.322 13.540 -5.709 1.00 0.00 C ATOM 1387 CG2 VAL A 87 12.254 12.654 -3.304 1.00 0.00 C ATOM 0 H VAL A 87 10.314 11.198 -4.493 1.00 0.00 H new ATOM 0 HA VAL A 87 12.628 10.866 -6.302 1.00 0.00 H new ATOM 0 HB VAL A 87 13.835 12.374 -4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 87 12.675 14.493 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.758 13.371 -6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.235 13.561 -5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.612 13.627 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.164 12.640 -3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 87 12.640 11.877 -2.644 1.00 0.00 H new ATOM 1397 N THR A 88 14.035 9.419 -4.728 1.00 0.00 N ATOM 1398 CA THR A 88 14.838 8.503 -3.896 1.00 0.00 C ATOM 1399 C THR A 88 15.729 9.318 -2.925 1.00 0.00 C ATOM 1400 O THR A 88 16.169 8.803 -1.894 1.00 0.00 O ATOM 1401 CB THR A 88 15.707 7.557 -4.806 1.00 0.00 C ATOM 1402 OG1 THR A 88 14.843 6.855 -5.713 1.00 0.00 O ATOM 1403 CG2 THR A 88 16.528 6.517 -4.007 1.00 0.00 C ATOM 0 H THR A 88 14.500 9.686 -5.596 1.00 0.00 H new ATOM 0 HA THR A 88 14.170 7.877 -3.305 1.00 0.00 H new ATOM 0 HB THR A 88 16.417 8.195 -5.333 1.00 0.00 H new ATOM 0 HG1 THR A 88 15.378 6.265 -6.284 1.00 0.00 H new ATOM 0 HG21 THR A 88 17.103 5.899 -4.697 1.00 0.00 H new ATOM 0 HG22 THR A 88 17.208 7.033 -3.329 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.852 5.885 -3.431 1.00 0.00 H new ATOM 1411 N ASP A 89 15.938 10.617 -3.268 1.00 0.00 N ATOM 1412 CA ASP A 89 16.797 11.556 -2.505 1.00 0.00 C ATOM 1413 C ASP A 89 16.394 11.610 -1.016 1.00 0.00 C ATOM 1414 O ASP A 89 17.178 11.209 -0.143 1.00 0.00 O ATOM 1415 CB ASP A 89 16.743 12.967 -3.160 1.00 0.00 C ATOM 1416 CG ASP A 89 17.574 14.024 -2.408 1.00 0.00 C ATOM 1417 OD1 ASP A 89 18.821 13.906 -2.378 1.00 0.00 O ATOM 1418 OD2 ASP A 89 16.990 14.967 -1.831 1.00 0.00 O ATOM 0 H ASP A 89 15.510 11.043 -4.090 1.00 0.00 H new ATOM 0 HA ASP A 89 17.824 11.193 -2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 89 17.102 12.897 -4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 89 15.705 13.298 -3.207 1.00 0.00 H new ATOM 1423 N LEU A 90 15.174 12.104 -0.734 1.00 0.00 N ATOM 1424 CA LEU A 90 14.561 12.024 0.601 1.00 0.00 C ATOM 1425 C LEU A 90 13.220 11.277 0.481 1.00 0.00 C ATOM 1426 O LEU A 90 12.178 11.868 0.177 1.00 0.00 O ATOM 1427 CB LEU A 90 14.377 13.432 1.248 1.00 0.00 C ATOM 1428 CG LEU A 90 15.687 14.229 1.580 1.00 0.00 C ATOM 1429 CD1 LEU A 90 15.360 15.578 2.264 1.00 0.00 C ATOM 1430 CD2 LEU A 90 16.665 13.386 2.437 1.00 0.00 C ATOM 0 H LEU A 90 14.587 12.569 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 90 15.228 11.475 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 90 13.770 14.039 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.808 13.312 2.170 1.00 0.00 H new ATOM 0 HG LEU A 90 16.187 14.446 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.286 16.109 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 90 14.743 16.183 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 90 14.820 15.394 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 90 17.561 13.970 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.183 13.111 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.940 12.483 1.892 1.00 0.00 H new ATOM 1442 N SER A 91 13.284 9.952 0.699 1.00 0.00 N ATOM 1443 CA SER A 91 12.126 9.038 0.655 1.00 0.00 C ATOM 1444 C SER A 91 11.441 8.933 2.048 1.00 0.00 C ATOM 1445 O SER A 91 10.746 7.955 2.341 1.00 0.00 O ATOM 1446 CB SER A 91 12.621 7.649 0.169 1.00 0.00 C ATOM 1447 OG SER A 91 13.256 7.735 -1.098 1.00 0.00 O ATOM 0 H SER A 91 14.159 9.475 0.915 1.00 0.00 H new ATOM 0 HA SER A 91 11.377 9.425 -0.036 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.317 7.234 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.777 6.962 0.108 1.00 0.00 H new ATOM 0 HG SER A 91 12.732 8.316 -1.688 1.00 0.00 H new ATOM 1453 N GLN A 92 11.638 9.969 2.890 1.00 0.00 N ATOM 1454 CA GLN A 92 11.056 10.064 4.240 1.00 0.00 C ATOM 1455 C GLN A 92 9.617 10.634 4.165 1.00 0.00 C ATOM 1456 O GLN A 92 9.411 11.857 4.091 1.00 0.00 O ATOM 1457 CB GLN A 92 11.987 10.920 5.164 1.00 0.00 C ATOM 1458 CG GLN A 92 12.468 12.255 4.540 1.00 0.00 C ATOM 1459 CD GLN A 92 13.497 13.027 5.373 1.00 0.00 C ATOM 1460 OE1 GLN A 92 14.358 12.324 6.101 1.00 0.00 O flip ATOM 1461 NE2 GLN A 92 13.535 14.256 5.342 1.00 0.00 N flip ATOM 0 H GLN A 92 12.215 10.774 2.645 1.00 0.00 H new ATOM 0 HA GLN A 92 10.985 9.069 4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.456 11.138 6.090 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.860 10.324 5.430 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.899 12.046 3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.601 12.895 4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.863 14.773 4.775 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.239 14.758 5.883 1.00 0.00 H new ATOM 1470 N ILE A 93 8.622 9.722 4.135 1.00 0.00 N ATOM 1471 CA ILE A 93 7.204 10.094 4.014 1.00 0.00 C ATOM 1472 C ILE A 93 6.610 10.497 5.385 1.00 0.00 C ATOM 1473 O ILE A 93 6.267 9.653 6.221 1.00 0.00 O ATOM 1474 CB ILE A 93 6.342 8.968 3.302 1.00 0.00 C ATOM 1475 CG1 ILE A 93 6.381 7.591 4.059 1.00 0.00 C ATOM 1476 CG2 ILE A 93 6.798 8.805 1.827 1.00 0.00 C ATOM 1477 CD1 ILE A 93 5.384 6.548 3.557 1.00 0.00 C ATOM 0 H ILE A 93 8.781 8.716 4.194 1.00 0.00 H new ATOM 0 HA ILE A 93 7.158 10.969 3.366 1.00 0.00 H new ATOM 0 HB ILE A 93 5.303 9.295 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.387 7.178 3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 93 6.194 7.770 5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.202 8.030 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.663 9.748 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.850 8.522 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.488 5.634 4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.370 6.933 3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.581 6.332 2.507 1.00 0.00 H new ATOM 1489 N VAL A 94 6.584 11.812 5.647 1.00 0.00 N ATOM 1490 CA VAL A 94 5.873 12.404 6.780 1.00 0.00 C ATOM 1491 C VAL A 94 4.896 13.460 6.217 1.00 0.00 C ATOM 1492 O VAL A 94 5.239 14.624 5.984 1.00 0.00 O ATOM 1493 CB VAL A 94 6.870 12.964 7.873 1.00 0.00 C ATOM 1494 CG1 VAL A 94 7.930 13.924 7.278 1.00 0.00 C ATOM 1495 CG2 VAL A 94 6.110 13.604 9.064 1.00 0.00 C ATOM 0 H VAL A 94 7.064 12.500 5.067 1.00 0.00 H new ATOM 0 HA VAL A 94 5.296 11.649 7.314 1.00 0.00 H new ATOM 0 HB VAL A 94 7.421 12.107 8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.587 14.278 8.072 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.519 13.396 6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.431 14.775 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.827 13.978 9.795 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.497 14.429 8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.471 12.855 9.533 1.00 0.00 H new ATOM 1505 N TRP A 95 3.694 12.970 5.881 1.00 0.00 N ATOM 1506 CA TRP A 95 2.607 13.750 5.254 1.00 0.00 C ATOM 1507 C TRP A 95 1.377 13.792 6.192 1.00 0.00 C ATOM 1508 O TRP A 95 1.351 13.011 7.152 1.00 0.00 O ATOM 1509 CB TRP A 95 2.288 13.154 3.847 1.00 0.00 C ATOM 1510 CG TRP A 95 2.100 11.655 3.764 1.00 0.00 C ATOM 1511 CD1 TRP A 95 1.417 10.835 4.623 1.00 0.00 C ATOM 1512 CD2 TRP A 95 2.560 10.820 2.702 1.00 0.00 C ATOM 1513 NE1 TRP A 95 1.482 9.545 4.183 1.00 0.00 N ATOM 1514 CE2 TRP A 95 2.165 9.517 3.002 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.289 11.053 1.522 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 2.453 8.455 2.180 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 3.570 9.985 0.698 1.00 0.00 C ATOM 1518 CH2 TRP A 95 3.158 8.693 1.034 1.00 0.00 C ATOM 0 H TRP A 95 3.440 11.995 6.040 1.00 0.00 H new ATOM 0 HA TRP A 95 2.916 14.784 5.103 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.381 13.631 3.475 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.095 13.432 3.170 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.904 11.161 5.515 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.085 8.735 4.659 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.622 12.048 1.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.130 7.456 2.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.116 10.149 -0.219 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.400 7.870 0.378 1.00 0.00 H new ATOM 1529 N PRO A 96 0.344 14.699 5.962 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.808 14.849 6.891 1.00 0.00 C ATOM 1531 C PRO A 96 -1.547 13.525 7.157 1.00 0.00 C ATOM 1532 O PRO A 96 -1.638 12.661 6.279 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.754 15.870 6.176 1.00 0.00 C ATOM 1534 CG PRO A 96 -1.297 15.883 4.750 1.00 0.00 C ATOM 1535 CD PRO A 96 0.192 15.625 4.797 1.00 0.00 C ATOM 0 HA PRO A 96 -0.473 15.182 7.873 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.797 15.564 6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.678 16.861 6.625 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.809 15.117 4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.514 16.841 4.278 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.551 15.172 3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.756 16.547 4.940 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.002 13.372 8.404 1.00 0.00 N ATOM 1544 CA GLN A 97 -2.979 12.350 8.795 1.00 0.00 C ATOM 1545 C GLN A 97 -4.381 12.949 8.606 1.00 0.00 C ATOM 1546 O GLN A 97 -4.548 14.179 8.712 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.747 11.877 10.262 1.00 0.00 C ATOM 1548 CG GLN A 97 -3.677 10.732 10.718 1.00 0.00 C ATOM 1549 CD GLN A 97 -3.541 9.468 9.860 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -4.223 9.315 8.841 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -2.660 8.566 10.253 1.00 0.00 N ATOM 0 H GLN A 97 -1.699 13.961 9.180 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.868 11.463 8.171 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.712 11.551 10.366 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.883 12.727 10.931 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.456 10.484 11.756 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.711 11.077 10.685 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.113 8.723 11.099 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.527 7.713 9.710 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.372 12.092 8.301 1.00 0.00 N ATOM 1561 CA LEU A 98 -6.746 12.533 7.998 1.00 0.00 C ATOM 1562 C LEU A 98 -7.372 13.306 9.187 1.00 0.00 C ATOM 1563 O LEU A 98 -7.188 12.905 10.339 1.00 0.00 O ATOM 1564 CB LEU A 98 -7.609 11.326 7.506 1.00 0.00 C ATOM 1565 CG LEU A 98 -7.515 9.981 8.303 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -8.303 10.000 9.630 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -7.937 8.783 7.424 1.00 0.00 C ATOM 0 H LEU A 98 -5.245 11.081 8.258 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.716 13.248 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.653 11.641 7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.336 11.120 6.471 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.466 9.862 8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.195 9.038 10.131 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.914 10.790 10.273 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.357 10.186 9.425 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.862 7.863 8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.966 8.920 7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.281 8.720 6.556 1.00 0.00 H new ATOM 1579 N PRO A 99 -8.058 14.462 8.913 1.00 0.00 N ATOM 1580 CA PRO A 99 -8.489 15.439 9.959 1.00 0.00 C ATOM 1581 C PRO A 99 -9.398 14.848 11.065 1.00 0.00 C ATOM 1582 O PRO A 99 -9.272 15.215 12.244 1.00 0.00 O ATOM 1583 CB PRO A 99 -9.236 16.525 9.138 1.00 0.00 C ATOM 1584 CG PRO A 99 -9.603 15.859 7.843 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.462 14.920 7.553 1.00 0.00 C ATOM 0 HA PRO A 99 -7.633 15.808 10.524 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.123 16.876 9.665 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.602 17.395 8.967 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.546 15.320 7.930 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.726 16.590 7.044 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.773 14.088 6.922 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.645 15.424 7.036 1.00 0.00 H new ATOM 1593 N VAL A 100 -10.298 13.931 10.677 1.00 0.00 N ATOM 1594 CA VAL A 100 -11.322 13.372 11.579 1.00 0.00 C ATOM 1595 C VAL A 100 -10.749 12.126 12.313 1.00 0.00 C ATOM 1596 O VAL A 100 -10.336 12.255 13.485 1.00 0.00 O ATOM 1597 CB VAL A 100 -12.649 13.046 10.778 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -13.749 12.458 11.705 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.155 14.314 10.024 1.00 0.00 C ATOM 1600 OXT VAL A 100 -10.655 11.048 11.693 1.00 0.00 O ATOM 0 H VAL A 100 -10.338 13.555 9.730 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.586 14.109 12.337 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.416 12.280 10.038 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.644 12.247 11.119 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.387 11.536 12.159 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -13.989 13.178 12.487 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.067 14.073 9.479 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -13.361 15.107 10.743 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.391 14.649 9.323 1.00 0.00 H new TER 1610 VAL A 100