USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 519 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 40 THR OG1 : rot -79:sc= -0.14 USER MOD Set 1.2: A 75 GLN :FLIP amide:sc= 0.0092 F(o=-2.2,f=-0.13) USER MOD Set 2.1: A 54 HIS :FLIP no HD1:sc= 0.0383 F(o=0.19,f=1.8) USER MOD Set 2.2: A 55 THR OG1 : rot 139:sc= 1.78 USER MOD Set 3.1: A 45 ASN : amide:sc= -0.251 X(o=-3.2,f=-2.7) USER MOD Set 3.2: A 46 GLN : amide:sc= -2.91! C(o=-3.2!,f=-4.3!) USER MOD Set 4.1: A 7 SER OG : rot -3:sc= 0.959 USER MOD Set 4.2: A 13 ASN : amide:sc= -7.58! C(o=-6.6!,f=-19!) USER MOD Single : A 1 SER N :NH3+ 153:sc= -0.94 (180deg=-1.89!) USER MOD Single : A 1 SER OG : rot -100:sc= 1.57 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -1.17 F(o=-2.4!,f=-1.2) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.302 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= -0.017 (180deg=-0.195) USER MOD Single : A 24 SER OG : rot 23:sc= 0.307 USER MOD Single : A 27 HIS : no HE2:sc= -0.0638 K(o=-0.064,f=-1.2) USER MOD Single : A 28 GLN : amide:sc= -2.48 K(o=-2.5,f=-3.4) USER MOD Single : A 29 LYS NZ :NH3+ 143:sc= -0.0437 (180deg=-2.33!) USER MOD Single : A 32 TYR OH : rot 135:sc= 0.0992 USER MOD Single : A 35 SER OG : rot 180:sc= -0.132 USER MOD Single : A 36 TYR OH : rot 113:sc= 0.13 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.8) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 106:sc= 1.22 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.676 USER MOD Single : A 65 ASN : amide:sc= -0.0927 K(o=-0.093,f=-4.1!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -101:sc= 0.149 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.661 -5.471 0.919 1.00 0.00 N ATOM 2 CA SER A 1 -8.818 -4.255 1.067 1.00 0.00 C ATOM 3 C SER A 1 -7.365 -4.723 1.270 1.00 0.00 C ATOM 4 O SER A 1 -6.750 -4.450 2.283 1.00 0.00 O ATOM 5 CB SER A 1 -9.307 -3.441 2.283 1.00 0.00 C ATOM 6 OG SER A 1 -10.677 -3.188 2.004 1.00 0.00 O ATOM 0 H1 SER A 1 -10.631 -5.261 1.231 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.674 -5.765 -0.079 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.268 -6.239 1.501 1.00 0.00 H new ATOM 0 HA SER A 1 -8.882 -3.617 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.186 -4.000 3.211 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.745 -2.514 2.394 1.00 0.00 H new ATOM 0 HG SER A 1 -10.777 -2.278 1.653 1.00 0.00 H new ATOM 11 N ALA A 2 -6.860 -5.424 0.284 1.00 0.00 N ATOM 12 CA ALA A 2 -5.455 -5.943 0.358 1.00 0.00 C ATOM 13 C ALA A 2 -4.472 -5.072 -0.420 1.00 0.00 C ATOM 14 O ALA A 2 -4.751 -4.691 -1.540 1.00 0.00 O ATOM 15 CB ALA A 2 -5.429 -7.366 -0.196 1.00 0.00 C ATOM 0 H ALA A 2 -7.361 -5.661 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.142 -5.926 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.412 -7.756 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.089 -7.999 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.767 -7.359 -1.232 1.00 0.00 H new ATOM 21 N PHE A 3 -3.352 -4.790 0.202 1.00 0.00 N ATOM 22 CA PHE A 3 -2.304 -3.944 -0.446 1.00 0.00 C ATOM 23 C PHE A 3 -1.096 -4.836 -0.808 1.00 0.00 C ATOM 24 O PHE A 3 -0.195 -5.015 -0.014 1.00 0.00 O ATOM 25 CB PHE A 3 -1.943 -2.831 0.565 1.00 0.00 C ATOM 26 CG PHE A 3 -0.969 -1.813 -0.053 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.362 -1.023 -1.120 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.310 -1.667 0.453 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.491 -0.105 -1.668 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.178 -0.749 -0.095 1.00 0.00 C ATOM 31 CZ PHE A 3 0.778 0.033 -1.155 1.00 0.00 C ATOM 0 H PHE A 3 -3.119 -5.114 1.141 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.646 -3.483 -1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.851 -2.321 0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.494 -3.275 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.357 -1.126 -1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.630 -2.278 1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.805 0.506 -2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.174 -0.642 0.308 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.459 0.754 -1.583 1.00 0.00 H new ATOM 41 N THR A 4 -1.113 -5.364 -2.011 1.00 0.00 N ATOM 42 CA THR A 4 -0.003 -6.259 -2.485 1.00 0.00 C ATOM 43 C THR A 4 1.192 -5.439 -2.969 1.00 0.00 C ATOM 44 O THR A 4 1.019 -4.492 -3.705 1.00 0.00 O ATOM 45 CB THR A 4 -0.533 -7.141 -3.633 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.627 -7.849 -3.067 1.00 0.00 O ATOM 47 CG2 THR A 4 0.478 -8.242 -4.016 1.00 0.00 C ATOM 0 H THR A 4 -1.856 -5.212 -2.693 1.00 0.00 H new ATOM 0 HA THR A 4 0.331 -6.882 -1.655 1.00 0.00 H new ATOM 0 HB THR A 4 -0.755 -6.520 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.022 -8.437 -3.745 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.070 -8.844 -4.828 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.412 -7.782 -4.339 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.667 -8.879 -3.152 1.00 0.00 H new ATOM 55 N VAL A 5 2.370 -5.824 -2.547 1.00 0.00 N ATOM 56 CA VAL A 5 3.611 -5.092 -2.954 1.00 0.00 C ATOM 57 C VAL A 5 4.756 -6.071 -3.295 1.00 0.00 C ATOM 58 O VAL A 5 4.883 -7.125 -2.697 1.00 0.00 O ATOM 59 CB VAL A 5 4.010 -4.133 -1.779 1.00 0.00 C ATOM 60 CG1 VAL A 5 2.864 -3.137 -1.501 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.258 -4.941 -0.481 1.00 0.00 C ATOM 0 H VAL A 5 2.528 -6.622 -1.932 1.00 0.00 H new ATOM 0 HA VAL A 5 3.422 -4.514 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 5 4.917 -3.604 -2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.148 -2.474 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.670 -2.546 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.963 -3.686 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.534 -4.260 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.350 -5.478 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.065 -5.655 -0.645 1.00 0.00 H new ATOM 71 N TRP A 6 5.550 -5.671 -4.259 1.00 0.00 N ATOM 72 CA TRP A 6 6.716 -6.467 -4.739 1.00 0.00 C ATOM 73 C TRP A 6 7.966 -5.641 -4.374 1.00 0.00 C ATOM 74 O TRP A 6 7.919 -4.430 -4.457 1.00 0.00 O ATOM 75 CB TRP A 6 6.586 -6.642 -6.259 1.00 0.00 C ATOM 76 CG TRP A 6 5.270 -7.334 -6.656 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.191 -8.634 -7.059 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.010 -6.800 -6.679 1.00 0.00 C ATOM 79 NE1 TRP A 6 3.921 -8.829 -7.302 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.133 -7.798 -7.106 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.504 -5.535 -6.381 1.00 0.00 C ATOM 82 CZ2 TRP A 6 1.773 -7.539 -7.231 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.142 -5.274 -6.507 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.277 -6.277 -6.931 1.00 0.00 C ATOM 0 H TRP A 6 5.428 -4.786 -4.751 1.00 0.00 H new ATOM 0 HA TRP A 6 6.774 -7.459 -4.291 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.641 -5.666 -6.741 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.428 -7.228 -6.629 1.00 0.00 H new ATOM 0 HD1 TRP A 6 5.998 -9.345 -7.156 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.564 -9.728 -7.625 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.172 -4.753 -6.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.103 -8.319 -7.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.757 -4.292 -6.275 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.220 -6.075 -7.027 1.00 0.00 H new ATOM 95 N SER A 7 9.039 -6.292 -3.988 1.00 0.00 N ATOM 96 CA SER A 7 10.301 -5.564 -3.606 1.00 0.00 C ATOM 97 C SER A 7 10.983 -4.774 -4.736 1.00 0.00 C ATOM 98 O SER A 7 11.892 -4.010 -4.470 1.00 0.00 O ATOM 99 CB SER A 7 11.298 -6.585 -3.024 1.00 0.00 C ATOM 100 OG SER A 7 11.524 -7.539 -4.051 1.00 0.00 O ATOM 0 H SER A 7 9.098 -7.308 -3.919 1.00 0.00 H new ATOM 0 HA SER A 7 10.000 -4.810 -2.878 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.229 -6.099 -2.731 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.893 -7.061 -2.131 1.00 0.00 H new ATOM 0 HG SER A 7 10.962 -7.325 -4.825 1.00 0.00 H new ATOM 106 N GLY A 8 10.534 -4.971 -5.950 1.00 0.00 N ATOM 107 CA GLY A 8 11.120 -4.254 -7.126 1.00 0.00 C ATOM 108 C GLY A 8 11.702 -5.198 -8.184 1.00 0.00 C ATOM 109 O GLY A 8 12.089 -6.302 -7.857 1.00 0.00 O ATOM 0 H GLY A 8 9.773 -5.610 -6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.350 -3.635 -7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.904 -3.581 -6.779 1.00 0.00 H new ATOM 113 N PRO A 9 11.762 -4.749 -9.422 1.00 0.00 N ATOM 114 CA PRO A 9 11.562 -3.328 -9.856 1.00 0.00 C ATOM 115 C PRO A 9 10.083 -2.910 -9.835 1.00 0.00 C ATOM 116 O PRO A 9 9.692 -2.038 -9.081 1.00 0.00 O ATOM 117 CB PRO A 9 12.176 -3.248 -11.258 1.00 0.00 C ATOM 118 CG PRO A 9 12.367 -4.697 -11.748 1.00 0.00 C ATOM 119 CD PRO A 9 12.046 -5.646 -10.577 1.00 0.00 C ATOM 0 HA PRO A 9 12.042 -2.629 -9.171 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.524 -2.695 -11.934 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.129 -2.720 -11.232 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.711 -4.902 -12.594 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.390 -4.850 -12.093 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.189 -6.279 -10.805 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.885 -6.309 -10.365 1.00 0.00 H new ATOM 127 N GLY A 10 9.311 -3.551 -10.671 1.00 0.00 N ATOM 128 CA GLY A 10 7.859 -3.254 -10.756 1.00 0.00 C ATOM 129 C GLY A 10 7.085 -4.151 -9.789 1.00 0.00 C ATOM 130 O GLY A 10 7.479 -4.352 -8.656 1.00 0.00 O ATOM 0 H GLY A 10 9.635 -4.279 -11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.679 -2.206 -10.516 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.506 -3.413 -11.775 1.00 0.00 H new ATOM 134 N CYS A 11 6.001 -4.659 -10.308 1.00 0.00 N ATOM 135 CA CYS A 11 5.076 -5.562 -9.559 1.00 0.00 C ATOM 136 C CYS A 11 5.243 -7.008 -10.057 1.00 0.00 C ATOM 137 O CYS A 11 4.326 -7.558 -10.638 1.00 0.00 O ATOM 138 CB CYS A 11 3.675 -5.045 -9.816 1.00 0.00 C ATOM 139 SG CYS A 11 3.341 -4.787 -11.578 1.00 0.00 S ATOM 0 H CYS A 11 5.705 -4.476 -11.267 1.00 0.00 H new ATOM 0 HA CYS A 11 5.288 -5.568 -8.490 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.951 -5.752 -9.412 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.535 -4.105 -9.282 1.00 0.00 H new ATOM 144 N ASN A 12 6.392 -7.598 -9.827 1.00 0.00 N ATOM 145 CA ASN A 12 6.599 -9.010 -10.306 1.00 0.00 C ATOM 146 C ASN A 12 7.401 -9.882 -9.332 1.00 0.00 C ATOM 147 O ASN A 12 6.915 -10.896 -8.872 1.00 0.00 O ATOM 148 CB ASN A 12 7.323 -8.950 -11.674 1.00 0.00 C ATOM 149 CG ASN A 12 6.526 -8.062 -12.647 1.00 0.00 C ATOM 150 OD1 ASN A 12 6.623 -6.763 -12.533 1.00 0.00 O flip ATOM 151 ND2 ASN A 12 5.813 -8.538 -13.508 1.00 0.00 N flip ATOM 0 H ASN A 12 7.183 -7.177 -9.339 1.00 0.00 H new ATOM 0 HA ASN A 12 5.619 -9.479 -10.387 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.330 -8.552 -11.546 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.427 -9.954 -12.085 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.733 -9.551 -13.602 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.294 -7.925 -14.137 1.00 0.00 H new ATOM 158 N ASN A 13 8.602 -9.437 -9.069 1.00 0.00 N ATOM 159 CA ASN A 13 9.581 -10.112 -8.152 1.00 0.00 C ATOM 160 C ASN A 13 9.011 -10.893 -6.929 1.00 0.00 C ATOM 161 O ASN A 13 8.500 -11.981 -7.118 1.00 0.00 O ATOM 162 CB ASN A 13 10.560 -8.991 -7.737 1.00 0.00 C ATOM 163 CG ASN A 13 9.792 -7.791 -7.175 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.764 -7.601 -5.982 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.161 -6.959 -7.964 1.00 0.00 N ATOM 0 H ASN A 13 8.968 -8.578 -9.479 1.00 0.00 H new ATOM 0 HA ASN A 13 10.050 -10.935 -8.692 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.257 -9.367 -6.988 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.153 -8.681 -8.597 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.656 -6.165 -7.569 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.174 -7.104 -8.974 1.00 0.00 H new ATOM 172 N ARG A 14 9.101 -10.367 -5.729 1.00 0.00 N ATOM 173 CA ARG A 14 8.563 -11.090 -4.525 1.00 0.00 C ATOM 174 C ARG A 14 7.027 -11.079 -4.516 1.00 0.00 C ATOM 175 O ARG A 14 6.411 -10.802 -5.525 1.00 0.00 O ATOM 176 CB ARG A 14 9.114 -10.412 -3.249 1.00 0.00 C ATOM 177 CG ARG A 14 10.648 -10.573 -3.187 1.00 0.00 C ATOM 178 CD ARG A 14 11.137 -10.082 -1.815 1.00 0.00 C ATOM 179 NE ARG A 14 12.626 -10.199 -1.761 1.00 0.00 N ATOM 180 CZ ARG A 14 13.272 -10.174 -0.620 1.00 0.00 C ATOM 181 NH1 ARG A 14 12.629 -10.044 0.511 1.00 0.00 N ATOM 182 NH2 ARG A 14 14.572 -10.284 -0.650 1.00 0.00 N ATOM 0 H ARG A 14 9.527 -9.462 -5.529 1.00 0.00 H new ATOM 0 HA ARG A 14 8.884 -12.131 -4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 14 8.851 -9.354 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.657 -10.856 -2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.925 -11.617 -3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.121 -10.000 -3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.834 -9.047 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.683 -10.673 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 14 13.151 -10.300 -2.630 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.612 -9.961 0.513 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.144 -10.026 1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.055 -10.386 -1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.105 -10.268 0.219 1.00 0.00 H new ATOM 196 N ALA A 15 6.441 -11.384 -3.386 1.00 0.00 N ATOM 197 CA ALA A 15 4.946 -11.396 -3.292 1.00 0.00 C ATOM 198 C ALA A 15 4.460 -11.057 -1.875 1.00 0.00 C ATOM 199 O ALA A 15 3.780 -11.841 -1.238 1.00 0.00 O ATOM 200 CB ALA A 15 4.457 -12.799 -3.725 1.00 0.00 C ATOM 0 H ALA A 15 6.931 -11.625 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 15 4.533 -10.630 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.369 -12.839 -3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.773 -12.994 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.884 -13.553 -3.064 1.00 0.00 H new ATOM 206 N GLU A 16 4.824 -9.884 -1.419 1.00 0.00 N ATOM 207 CA GLU A 16 4.401 -9.447 -0.050 1.00 0.00 C ATOM 208 C GLU A 16 2.963 -8.918 -0.153 1.00 0.00 C ATOM 209 O GLU A 16 2.570 -8.427 -1.193 1.00 0.00 O ATOM 210 CB GLU A 16 5.369 -8.341 0.452 1.00 0.00 C ATOM 211 CG GLU A 16 6.664 -8.945 1.076 1.00 0.00 C ATOM 212 CD GLU A 16 7.537 -9.721 0.063 1.00 0.00 C ATOM 213 OE1 GLU A 16 7.134 -10.808 -0.312 1.00 0.00 O ATOM 214 OE2 GLU A 16 8.575 -9.183 -0.283 1.00 0.00 O ATOM 0 H GLU A 16 5.394 -9.211 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 16 4.434 -10.273 0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.636 -7.687 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.862 -7.723 1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.256 -8.140 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.387 -9.614 1.891 1.00 0.00 H new ATOM 221 N ARG A 17 2.219 -9.035 0.921 1.00 0.00 N ATOM 222 CA ARG A 17 0.801 -8.556 0.921 1.00 0.00 C ATOM 223 C ARG A 17 0.396 -7.997 2.293 1.00 0.00 C ATOM 224 O ARG A 17 0.369 -8.704 3.282 1.00 0.00 O ATOM 225 CB ARG A 17 -0.097 -9.752 0.515 1.00 0.00 C ATOM 226 CG ARG A 17 -1.592 -9.353 0.447 1.00 0.00 C ATOM 227 CD ARG A 17 -2.398 -10.578 -0.033 1.00 0.00 C ATOM 228 NE ARG A 17 -3.852 -10.221 -0.061 1.00 0.00 N ATOM 229 CZ ARG A 17 -4.708 -10.866 -0.818 1.00 0.00 C ATOM 230 NH1 ARG A 17 -4.317 -11.851 -1.583 1.00 0.00 N ATOM 231 NH2 ARG A 17 -5.958 -10.496 -0.786 1.00 0.00 N ATOM 0 H ARG A 17 2.535 -9.443 1.801 1.00 0.00 H new ATOM 0 HA ARG A 17 0.684 -7.737 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.222 -10.133 -0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.030 -10.562 1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.943 -9.027 1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.731 -8.515 -0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.065 -10.883 -1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.230 -11.424 0.633 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.186 -9.455 0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.335 -12.127 -1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.994 -12.343 -2.166 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.246 -9.725 -0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.647 -10.978 -1.363 1.00 0.00 H new ATOM 245 N TYR A 18 0.090 -6.725 2.283 1.00 0.00 N ATOM 246 CA TYR A 18 -0.330 -5.991 3.513 1.00 0.00 C ATOM 247 C TYR A 18 -1.863 -5.925 3.522 1.00 0.00 C ATOM 248 O TYR A 18 -2.467 -4.896 3.284 1.00 0.00 O ATOM 249 CB TYR A 18 0.295 -4.571 3.482 1.00 0.00 C ATOM 250 CG TYR A 18 1.817 -4.649 3.709 1.00 0.00 C ATOM 251 CD1 TYR A 18 2.660 -5.179 2.749 1.00 0.00 C ATOM 252 CD2 TYR A 18 2.363 -4.184 4.891 1.00 0.00 C ATOM 253 CE1 TYR A 18 4.020 -5.241 2.970 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.723 -4.246 5.110 1.00 0.00 C ATOM 255 CZ TYR A 18 4.562 -4.776 4.152 1.00 0.00 C ATOM 256 OH TYR A 18 5.923 -4.837 4.369 1.00 0.00 O ATOM 0 H TYR A 18 0.115 -6.147 1.443 1.00 0.00 H new ATOM 0 HA TYR A 18 0.010 -6.495 4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.088 -4.096 2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.162 -3.949 4.251 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.250 -5.547 1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.718 -3.768 5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.667 -5.657 2.212 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.134 -3.877 6.038 1.00 0.00 H new ATOM 0 HH TYR A 18 6.130 -4.465 5.252 1.00 0.00 H new ATOM 266 N SER A 19 -2.439 -7.067 3.801 1.00 0.00 N ATOM 267 CA SER A 19 -3.927 -7.192 3.858 1.00 0.00 C ATOM 268 C SER A 19 -4.486 -6.708 5.204 1.00 0.00 C ATOM 269 O SER A 19 -5.675 -6.494 5.334 1.00 0.00 O ATOM 270 CB SER A 19 -4.297 -8.669 3.622 1.00 0.00 C ATOM 271 OG SER A 19 -3.608 -9.386 4.638 1.00 0.00 O ATOM 0 H SER A 19 -1.933 -7.931 3.995 1.00 0.00 H new ATOM 0 HA SER A 19 -4.368 -6.561 3.086 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.374 -8.822 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.991 -8.999 2.629 1.00 0.00 H new ATOM 0 HG SER A 19 -3.800 -10.343 4.550 1.00 0.00 H new ATOM 277 N LYS A 20 -3.606 -6.552 6.161 1.00 0.00 N ATOM 278 CA LYS A 20 -4.003 -6.087 7.520 1.00 0.00 C ATOM 279 C LYS A 20 -4.553 -4.654 7.468 1.00 0.00 C ATOM 280 O LYS A 20 -3.967 -3.786 6.851 1.00 0.00 O ATOM 281 CB LYS A 20 -2.766 -6.156 8.425 1.00 0.00 C ATOM 282 CG LYS A 20 -2.322 -7.624 8.603 1.00 0.00 C ATOM 283 CD LYS A 20 -1.067 -7.664 9.504 1.00 0.00 C ATOM 284 CE LYS A 20 -0.561 -9.112 9.648 1.00 0.00 C ATOM 285 NZ LYS A 20 -1.583 -9.964 10.323 1.00 0.00 N ATOM 0 H LYS A 20 -2.608 -6.732 6.052 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.794 -6.725 7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.954 -5.572 7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.991 -5.715 9.396 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.126 -8.209 9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.104 -8.072 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.284 -7.038 9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.302 -7.254 10.486 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.331 -9.522 8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.365 -9.123 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.154 -10.872 10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.932 -9.479 11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.376 -10.135 9.673 1.00 0.00 H new ATOM 299 N CYS A 21 -5.669 -4.465 8.127 1.00 0.00 N ATOM 300 CA CYS A 21 -6.340 -3.130 8.179 1.00 0.00 C ATOM 301 C CYS A 21 -5.494 -2.049 8.872 1.00 0.00 C ATOM 302 O CYS A 21 -4.427 -2.320 9.390 1.00 0.00 O ATOM 303 CB CYS A 21 -7.663 -3.281 8.924 1.00 0.00 C ATOM 304 SG CYS A 21 -9.061 -4.092 8.117 1.00 0.00 S ATOM 0 H CYS A 21 -6.154 -5.199 8.643 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.490 -2.801 7.151 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.457 -3.828 9.844 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.989 -2.282 9.213 1.00 0.00 H new ATOM 309 N GLY A 22 -6.020 -0.847 8.849 1.00 0.00 N ATOM 310 CA GLY A 22 -5.326 0.314 9.478 1.00 0.00 C ATOM 311 C GLY A 22 -4.034 0.653 8.736 1.00 0.00 C ATOM 312 O GLY A 22 -3.845 0.244 7.606 1.00 0.00 O ATOM 0 H GLY A 22 -6.914 -0.622 8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.987 1.181 9.477 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.101 0.086 10.520 1.00 0.00 H new ATOM 316 N CYS A 23 -3.191 1.391 9.414 1.00 0.00 N ATOM 317 CA CYS A 23 -1.881 1.815 8.838 1.00 0.00 C ATOM 318 C CYS A 23 -0.695 0.954 9.259 1.00 0.00 C ATOM 319 O CYS A 23 -0.435 0.755 10.430 1.00 0.00 O ATOM 320 CB CYS A 23 -1.671 3.281 9.232 1.00 0.00 C ATOM 321 SG CYS A 23 -2.269 3.856 10.840 1.00 0.00 S ATOM 0 H CYS A 23 -3.361 1.724 10.363 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.925 1.688 7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.601 3.483 9.189 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.143 3.897 8.467 1.00 0.00 H new ATOM 326 N SER A 24 -0.018 0.471 8.244 1.00 0.00 N ATOM 327 CA SER A 24 1.185 -0.400 8.432 1.00 0.00 C ATOM 328 C SER A 24 2.343 0.109 7.562 1.00 0.00 C ATOM 329 O SER A 24 2.146 0.434 6.407 1.00 0.00 O ATOM 330 CB SER A 24 0.813 -1.844 8.040 1.00 0.00 C ATOM 331 OG SER A 24 0.333 -1.755 6.706 1.00 0.00 O ATOM 0 H SER A 24 -0.256 0.650 7.268 1.00 0.00 H new ATOM 0 HA SER A 24 1.505 -0.374 9.474 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.677 -2.505 8.104 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.052 -2.249 8.706 1.00 0.00 H new ATOM 0 HG SER A 24 0.690 -0.946 6.283 1.00 0.00 H new ATOM 337 N ALA A 25 3.516 0.153 8.143 1.00 0.00 N ATOM 338 CA ALA A 25 4.720 0.633 7.395 1.00 0.00 C ATOM 339 C ALA A 25 5.228 -0.495 6.491 1.00 0.00 C ATOM 340 O ALA A 25 5.619 -1.549 6.957 1.00 0.00 O ATOM 341 CB ALA A 25 5.802 1.039 8.406 1.00 0.00 C ATOM 0 H ALA A 25 3.693 -0.124 9.109 1.00 0.00 H new ATOM 0 HA ALA A 25 4.468 1.495 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.685 1.391 7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.422 1.837 9.045 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.068 0.178 9.020 1.00 0.00 H new ATOM 347 N ILE A 26 5.195 -0.218 5.214 1.00 0.00 N ATOM 348 CA ILE A 26 5.651 -1.207 4.191 1.00 0.00 C ATOM 349 C ILE A 26 7.174 -1.175 4.023 1.00 0.00 C ATOM 350 O ILE A 26 7.782 -0.124 3.993 1.00 0.00 O ATOM 351 CB ILE A 26 4.972 -0.878 2.841 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.427 -0.785 3.023 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.304 -1.953 1.788 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.985 0.639 2.665 1.00 0.00 C ATOM 0 H ILE A 26 4.866 0.667 4.830 1.00 0.00 H new ATOM 0 HA ILE A 26 5.372 -2.207 4.524 1.00 0.00 H new ATOM 0 HB ILE A 26 5.353 0.083 2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.925 -1.511 2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.151 -1.021 4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.816 -1.702 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.383 -1.995 1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.948 -2.923 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.905 0.726 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.482 1.351 3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.253 0.854 1.631 1.00 0.00 H new ATOM 366 N HIS A 27 7.722 -2.358 3.920 1.00 0.00 N ATOM 367 CA HIS A 27 9.193 -2.549 3.743 1.00 0.00 C ATOM 368 C HIS A 27 9.317 -3.264 2.395 1.00 0.00 C ATOM 369 O HIS A 27 9.836 -4.360 2.288 1.00 0.00 O ATOM 370 CB HIS A 27 9.717 -3.412 4.906 1.00 0.00 C ATOM 371 CG HIS A 27 9.536 -2.635 6.213 1.00 0.00 C ATOM 372 ND1 HIS A 27 8.406 -2.436 6.809 1.00 0.00 N ATOM 373 CD2 HIS A 27 10.466 -1.999 7.019 1.00 0.00 C ATOM 374 CE1 HIS A 27 8.599 -1.743 7.886 1.00 0.00 C ATOM 375 NE2 HIS A 27 9.864 -1.449 8.056 1.00 0.00 N ATOM 0 H HIS A 27 7.192 -3.229 3.952 1.00 0.00 H new ATOM 0 HA HIS A 27 9.772 -1.625 3.750 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.175 -4.357 4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.769 -3.655 4.753 1.00 0.00 H new ATOM 0 HD1 HIS A 27 7.501 -2.773 6.481 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.528 -1.959 6.827 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.812 -1.444 8.562 1.00 0.00 H new ATOM 383 N GLN A 28 8.815 -2.582 1.395 1.00 0.00 N ATOM 384 CA GLN A 28 8.834 -3.118 0.002 1.00 0.00 C ATOM 385 C GLN A 28 9.064 -1.964 -0.995 1.00 0.00 C ATOM 386 O GLN A 28 8.139 -1.256 -1.337 1.00 0.00 O ATOM 387 CB GLN A 28 7.473 -3.808 -0.234 1.00 0.00 C ATOM 388 CG GLN A 28 7.544 -4.701 -1.466 1.00 0.00 C ATOM 389 CD GLN A 28 8.057 -6.104 -1.110 1.00 0.00 C ATOM 390 OE1 GLN A 28 7.679 -7.074 -1.736 1.00 0.00 O ATOM 391 NE2 GLN A 28 8.905 -6.268 -0.130 1.00 0.00 N ATOM 0 H GLN A 28 8.386 -1.661 1.489 1.00 0.00 H new ATOM 0 HA GLN A 28 9.642 -3.835 -0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.201 -4.401 0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.694 -3.057 -0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.556 -4.777 -1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.202 -4.249 -2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.230 -5.462 0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.242 -7.202 0.102 1.00 0.00 H new ATOM 400 N LYS A 29 10.290 -1.809 -1.427 1.00 0.00 N ATOM 401 CA LYS A 29 10.662 -0.734 -2.394 1.00 0.00 C ATOM 402 C LYS A 29 10.576 -1.180 -3.866 1.00 0.00 C ATOM 403 O LYS A 29 11.563 -1.177 -4.578 1.00 0.00 O ATOM 404 CB LYS A 29 12.100 -0.267 -2.036 1.00 0.00 C ATOM 405 CG LYS A 29 12.098 0.624 -0.765 1.00 0.00 C ATOM 406 CD LYS A 29 11.377 1.980 -1.015 1.00 0.00 C ATOM 407 CE LYS A 29 12.137 2.841 -2.043 1.00 0.00 C ATOM 408 NZ LYS A 29 11.419 4.131 -2.250 1.00 0.00 N ATOM 0 H LYS A 29 11.070 -2.401 -1.140 1.00 0.00 H new ATOM 0 HA LYS A 29 9.947 0.083 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.738 -1.136 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.524 0.288 -2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.605 0.094 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 29 13.125 0.810 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.364 1.795 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.289 2.526 -0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.152 3.031 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.221 2.305 -2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.111 4.897 -2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.818 4.062 -3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.826 4.335 -1.420 1.00 0.00 H new ATOM 422 N GLY A 30 9.394 -1.555 -4.283 1.00 0.00 N ATOM 423 CA GLY A 30 9.203 -2.004 -5.701 1.00 0.00 C ATOM 424 C GLY A 30 7.854 -1.582 -6.274 1.00 0.00 C ATOM 425 O GLY A 30 7.640 -0.414 -6.523 1.00 0.00 O ATOM 0 H GLY A 30 8.553 -1.571 -3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.001 -1.592 -6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.290 -3.089 -5.749 1.00 0.00 H new ATOM 429 N GLY A 31 6.994 -2.552 -6.469 1.00 0.00 N ATOM 430 CA GLY A 31 5.627 -2.289 -7.024 1.00 0.00 C ATOM 431 C GLY A 31 4.611 -2.233 -5.880 1.00 0.00 C ATOM 432 O GLY A 31 4.924 -2.625 -4.771 1.00 0.00 O ATOM 0 H GLY A 31 7.185 -3.533 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.622 -1.349 -7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.353 -3.073 -7.730 1.00 0.00 H new ATOM 436 N TYR A 32 3.424 -1.750 -6.173 1.00 0.00 N ATOM 437 CA TYR A 32 2.361 -1.652 -5.113 1.00 0.00 C ATOM 438 C TYR A 32 0.993 -1.863 -5.751 1.00 0.00 C ATOM 439 O TYR A 32 0.780 -1.495 -6.883 1.00 0.00 O ATOM 440 CB TYR A 32 2.398 -0.253 -4.440 1.00 0.00 C ATOM 441 CG TYR A 32 3.837 0.061 -4.021 1.00 0.00 C ATOM 442 CD1 TYR A 32 4.698 0.653 -4.926 1.00 0.00 C ATOM 443 CD2 TYR A 32 4.304 -0.261 -2.763 1.00 0.00 C ATOM 444 CE1 TYR A 32 6.000 0.913 -4.577 1.00 0.00 C ATOM 445 CE2 TYR A 32 5.609 0.000 -2.418 1.00 0.00 C ATOM 446 CZ TYR A 32 6.465 0.586 -3.325 1.00 0.00 C ATOM 447 OH TYR A 32 7.779 0.834 -2.998 1.00 0.00 O ATOM 0 H TYR A 32 3.144 -1.420 -7.097 1.00 0.00 H new ATOM 0 HA TYR A 32 2.544 -2.416 -4.357 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.033 0.507 -5.131 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.741 -0.236 -3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.344 0.912 -5.913 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.641 -0.721 -2.045 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.664 1.378 -5.291 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.965 -0.256 -1.431 1.00 0.00 H new ATOM 0 HH TYR A 32 7.823 1.246 -2.110 1.00 0.00 H new ATOM 457 N ASP A 33 0.085 -2.447 -5.022 1.00 0.00 N ATOM 458 CA ASP A 33 -1.278 -2.696 -5.568 1.00 0.00 C ATOM 459 C ASP A 33 -2.260 -2.684 -4.411 1.00 0.00 C ATOM 460 O ASP A 33 -1.878 -2.963 -3.294 1.00 0.00 O ATOM 461 CB ASP A 33 -1.317 -4.078 -6.258 1.00 0.00 C ATOM 462 CG ASP A 33 -2.769 -4.615 -6.396 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.558 -3.961 -7.056 1.00 0.00 O ATOM 464 OD2 ASP A 33 -3.013 -5.662 -5.821 1.00 0.00 O ATOM 0 H ASP A 33 0.229 -2.765 -4.064 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.537 -1.928 -6.297 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.862 -4.004 -7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.720 -4.787 -5.684 1.00 0.00 H new ATOM 469 N PHE A 34 -3.485 -2.364 -4.726 1.00 0.00 N ATOM 470 CA PHE A 34 -4.555 -2.326 -3.694 1.00 0.00 C ATOM 471 C PHE A 34 -5.688 -3.184 -4.254 1.00 0.00 C ATOM 472 O PHE A 34 -5.770 -3.380 -5.452 1.00 0.00 O ATOM 473 CB PHE A 34 -5.054 -0.892 -3.471 1.00 0.00 C ATOM 474 CG PHE A 34 -6.086 -0.947 -2.325 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.687 -1.330 -1.054 1.00 0.00 C ATOM 476 CD2 PHE A 34 -7.415 -0.630 -2.543 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.598 -1.396 -0.024 1.00 0.00 C ATOM 478 CE2 PHE A 34 -8.328 -0.697 -1.509 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.920 -1.080 -0.250 1.00 0.00 C ATOM 0 H PHE A 34 -3.792 -2.124 -5.669 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.191 -2.690 -2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.226 -0.231 -3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.507 -0.496 -4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.652 -1.579 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.740 -0.328 -3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.276 -1.696 0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.364 -0.449 -1.688 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.635 -1.132 0.558 1.00 0.00 H new ATOM 489 N SER A 35 -6.528 -3.673 -3.379 1.00 0.00 N ATOM 490 CA SER A 35 -7.663 -4.524 -3.836 1.00 0.00 C ATOM 491 C SER A 35 -8.889 -4.266 -2.971 1.00 0.00 C ATOM 492 O SER A 35 -9.071 -4.859 -1.925 1.00 0.00 O ATOM 493 CB SER A 35 -7.231 -6.003 -3.746 1.00 0.00 C ATOM 494 OG SER A 35 -6.119 -6.107 -4.626 1.00 0.00 O ATOM 0 H SER A 35 -6.476 -3.520 -2.372 1.00 0.00 H new ATOM 0 HA SER A 35 -7.924 -4.283 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.956 -6.274 -2.727 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.038 -6.671 -4.047 1.00 0.00 H new ATOM 0 HG SER A 35 -5.784 -7.028 -4.622 1.00 0.00 H new ATOM 500 N TYR A 36 -9.691 -3.362 -3.468 1.00 0.00 N ATOM 501 CA TYR A 36 -10.948 -2.972 -2.771 1.00 0.00 C ATOM 502 C TYR A 36 -11.973 -4.113 -2.870 1.00 0.00 C ATOM 503 O TYR A 36 -11.960 -4.888 -3.807 1.00 0.00 O ATOM 504 CB TYR A 36 -11.505 -1.705 -3.440 1.00 0.00 C ATOM 505 CG TYR A 36 -12.832 -1.305 -2.771 1.00 0.00 C ATOM 506 CD1 TYR A 36 -14.029 -1.840 -3.212 1.00 0.00 C ATOM 507 CD2 TYR A 36 -12.848 -0.419 -1.716 1.00 0.00 C ATOM 508 CE1 TYR A 36 -15.216 -1.497 -2.603 1.00 0.00 C ATOM 509 CE2 TYR A 36 -14.037 -0.077 -1.107 1.00 0.00 C ATOM 510 CZ TYR A 36 -15.228 -0.612 -1.546 1.00 0.00 C ATOM 511 OH TYR A 36 -16.415 -0.268 -0.933 1.00 0.00 O ATOM 0 H TYR A 36 -9.523 -2.869 -4.345 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.746 -2.776 -1.718 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.785 -0.891 -3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.662 -1.883 -4.504 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -14.033 -2.532 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.922 0.011 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -16.143 -1.924 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -14.034 0.616 -0.279 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.423 -0.617 -0.017 1.00 0.00 H new ATOM 521 N THR A 37 -12.825 -4.163 -1.880 1.00 0.00 N ATOM 522 CA THR A 37 -13.900 -5.201 -1.802 1.00 0.00 C ATOM 523 C THR A 37 -14.818 -4.854 -0.620 1.00 0.00 C ATOM 524 O THR A 37 -16.008 -5.104 -0.666 1.00 0.00 O ATOM 525 CB THR A 37 -13.247 -6.609 -1.611 1.00 0.00 C ATOM 526 OG1 THR A 37 -14.334 -7.508 -1.435 1.00 0.00 O ATOM 527 CG2 THR A 37 -12.426 -6.721 -0.316 1.00 0.00 C ATOM 0 H THR A 37 -12.821 -3.508 -1.098 1.00 0.00 H new ATOM 0 HA THR A 37 -14.488 -5.222 -2.719 1.00 0.00 H new ATOM 0 HB THR A 37 -12.594 -6.806 -2.461 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.990 -8.417 -1.310 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.999 -7.721 -0.241 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.623 -5.984 -0.329 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.073 -6.538 0.542 1.00 0.00 H new ATOM 535 N GLY A 38 -14.214 -4.288 0.395 1.00 0.00 N ATOM 536 CA GLY A 38 -14.950 -3.882 1.627 1.00 0.00 C ATOM 537 C GLY A 38 -14.741 -2.384 1.858 1.00 0.00 C ATOM 538 O GLY A 38 -15.678 -1.611 1.799 1.00 0.00 O ATOM 0 H GLY A 38 -13.214 -4.086 0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.012 -4.103 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.590 -4.450 2.485 1.00 0.00 H new ATOM 542 N GLN A 39 -13.504 -2.032 2.113 1.00 0.00 N ATOM 543 CA GLN A 39 -13.127 -0.603 2.364 1.00 0.00 C ATOM 544 C GLN A 39 -11.987 -0.103 1.476 1.00 0.00 C ATOM 545 O GLN A 39 -11.297 -0.873 0.838 1.00 0.00 O ATOM 546 CB GLN A 39 -12.710 -0.439 3.832 1.00 0.00 C ATOM 547 CG GLN A 39 -13.958 -0.303 4.727 1.00 0.00 C ATOM 548 CD GLN A 39 -14.737 -1.622 4.828 1.00 0.00 C ATOM 549 OE1 GLN A 39 -14.176 -2.698 4.880 1.00 0.00 O ATOM 550 NE2 GLN A 39 -16.041 -1.575 4.859 1.00 0.00 N ATOM 0 H GLN A 39 -12.724 -2.687 2.159 1.00 0.00 H new ATOM 0 HA GLN A 39 -14.007 -0.006 2.125 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.119 -1.298 4.148 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.077 0.441 3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.656 0.018 5.724 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.609 0.473 4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.520 -0.676 4.816 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.581 -2.438 4.926 1.00 0.00 H new ATOM 559 N THR A 40 -11.841 1.199 1.479 1.00 0.00 N ATOM 560 CA THR A 40 -10.788 1.875 0.680 1.00 0.00 C ATOM 561 C THR A 40 -9.547 2.064 1.555 1.00 0.00 C ATOM 562 O THR A 40 -9.581 1.819 2.747 1.00 0.00 O ATOM 563 CB THR A 40 -11.330 3.238 0.212 1.00 0.00 C ATOM 564 OG1 THR A 40 -11.623 3.959 1.399 1.00 0.00 O ATOM 565 CG2 THR A 40 -12.688 3.117 -0.502 1.00 0.00 C ATOM 0 H THR A 40 -12.428 1.834 2.020 1.00 0.00 H new ATOM 0 HA THR A 40 -10.518 1.277 -0.191 1.00 0.00 H new ATOM 0 HB THR A 40 -10.599 3.690 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.476 3.649 1.768 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.026 4.106 -0.812 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.582 2.479 -1.379 1.00 0.00 H new ATOM 0 HG23 THR A 40 -13.419 2.681 0.178 1.00 0.00 H new ATOM 573 N ALA A 41 -8.490 2.500 0.921 1.00 0.00 N ATOM 574 CA ALA A 41 -7.206 2.735 1.643 1.00 0.00 C ATOM 575 C ALA A 41 -6.716 4.159 1.368 1.00 0.00 C ATOM 576 O ALA A 41 -7.336 4.902 0.630 1.00 0.00 O ATOM 577 CB ALA A 41 -6.184 1.703 1.162 1.00 0.00 C ATOM 0 H ALA A 41 -8.462 2.705 -0.078 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.346 2.627 2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.238 1.860 1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.552 0.699 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.033 1.814 0.088 1.00 0.00 H new ATOM 583 N ALA A 42 -5.607 4.484 1.979 1.00 0.00 N ATOM 584 CA ALA A 42 -4.990 5.834 1.826 1.00 0.00 C ATOM 585 C ALA A 42 -3.508 5.706 2.205 1.00 0.00 C ATOM 586 O ALA A 42 -3.221 5.137 3.239 1.00 0.00 O ATOM 587 CB ALA A 42 -5.669 6.824 2.782 1.00 0.00 C ATOM 0 H ALA A 42 -5.091 3.854 2.593 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.105 6.195 0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.216 7.809 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.732 6.884 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.542 6.483 3.809 1.00 0.00 H new ATOM 593 N LEU A 43 -2.606 6.217 1.400 1.00 0.00 N ATOM 594 CA LEU A 43 -1.160 6.103 1.761 1.00 0.00 C ATOM 595 C LEU A 43 -0.838 7.209 2.743 1.00 0.00 C ATOM 596 O LEU A 43 -1.551 8.183 2.864 1.00 0.00 O ATOM 597 CB LEU A 43 -0.217 6.289 0.548 1.00 0.00 C ATOM 598 CG LEU A 43 -0.004 4.994 -0.271 1.00 0.00 C ATOM 599 CD1 LEU A 43 0.728 3.895 0.548 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.316 4.453 -0.762 1.00 0.00 C ATOM 0 H LEU A 43 -2.805 6.700 0.524 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.003 5.104 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.626 7.060 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.749 6.650 0.901 1.00 0.00 H new ATOM 0 HG LEU A 43 0.625 5.262 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.855 3.005 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.706 4.263 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.138 3.644 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.142 3.542 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.959 4.229 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.801 5.195 -1.397 1.00 0.00 H new ATOM 612 N TYR A 44 0.257 6.985 3.404 1.00 0.00 N ATOM 613 CA TYR A 44 0.776 7.930 4.427 1.00 0.00 C ATOM 614 C TYR A 44 2.283 8.044 4.238 1.00 0.00 C ATOM 615 O TYR A 44 3.029 7.139 4.563 1.00 0.00 O ATOM 616 CB TYR A 44 0.412 7.366 5.806 1.00 0.00 C ATOM 617 CG TYR A 44 -0.987 7.845 6.223 1.00 0.00 C ATOM 618 CD1 TYR A 44 -2.124 7.260 5.700 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.124 8.877 7.131 1.00 0.00 C ATOM 620 CE1 TYR A 44 -3.373 7.700 6.080 1.00 0.00 C ATOM 621 CE2 TYR A 44 -2.375 9.314 7.510 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.507 8.730 6.987 1.00 0.00 C ATOM 623 OH TYR A 44 -4.758 9.168 7.366 1.00 0.00 O ATOM 0 H TYR A 44 0.835 6.155 3.273 1.00 0.00 H new ATOM 0 HA TYR A 44 0.344 8.926 4.334 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.439 6.277 5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.148 7.685 6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.033 6.452 4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.244 9.345 7.547 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.254 7.234 5.664 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.468 10.120 8.222 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.667 9.899 8.012 1.00 0.00 H new ATOM 633 N ASN A 45 2.672 9.174 3.705 1.00 0.00 N ATOM 634 CA ASN A 45 4.113 9.457 3.445 1.00 0.00 C ATOM 635 C ASN A 45 4.973 9.310 4.708 1.00 0.00 C ATOM 636 O ASN A 45 6.161 9.077 4.610 1.00 0.00 O ATOM 637 CB ASN A 45 4.210 10.883 2.874 1.00 0.00 C ATOM 638 CG ASN A 45 5.669 11.206 2.530 1.00 0.00 C ATOM 639 OD1 ASN A 45 6.170 10.836 1.487 1.00 0.00 O ATOM 640 ND2 ASN A 45 6.381 11.892 3.381 1.00 0.00 N ATOM 0 H ASN A 45 2.038 9.926 3.434 1.00 0.00 H new ATOM 0 HA ASN A 45 4.503 8.729 2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.589 10.971 1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.830 11.602 3.600 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.353 12.115 3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.965 12.205 4.258 1.00 0.00 H new ATOM 647 N GLN A 46 4.343 9.448 5.846 1.00 0.00 N ATOM 648 CA GLN A 46 5.051 9.327 7.153 1.00 0.00 C ATOM 649 C GLN A 46 4.893 7.901 7.699 1.00 0.00 C ATOM 650 O GLN A 46 3.815 7.338 7.665 1.00 0.00 O ATOM 651 CB GLN A 46 4.454 10.330 8.164 1.00 0.00 C ATOM 652 CG GLN A 46 4.625 11.785 7.660 1.00 0.00 C ATOM 653 CD GLN A 46 3.697 12.112 6.476 1.00 0.00 C ATOM 654 OE1 GLN A 46 2.593 11.616 6.358 1.00 0.00 O ATOM 655 NE2 GLN A 46 4.121 12.955 5.574 1.00 0.00 N ATOM 0 H GLN A 46 3.345 9.644 5.924 1.00 0.00 H new ATOM 0 HA GLN A 46 6.109 9.545 7.006 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.396 10.115 8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.945 10.215 9.131 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.422 12.476 8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.661 11.943 7.360 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.046 13.376 5.664 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.528 13.192 4.779 1.00 0.00 H new ATOM 664 N ALA A 47 5.996 7.380 8.177 1.00 0.00 N ATOM 665 CA ALA A 47 6.061 6.004 8.760 1.00 0.00 C ATOM 666 C ALA A 47 4.868 5.678 9.664 1.00 0.00 C ATOM 667 O ALA A 47 4.645 6.337 10.660 1.00 0.00 O ATOM 668 CB ALA A 47 7.363 5.881 9.562 1.00 0.00 C ATOM 0 H ALA A 47 6.889 7.873 8.187 1.00 0.00 H new ATOM 0 HA ALA A 47 6.031 5.290 7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.430 4.883 9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.214 6.047 8.902 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.371 6.625 10.359 1.00 0.00 H new ATOM 674 N GLY A 48 4.142 4.664 9.265 1.00 0.00 N ATOM 675 CA GLY A 48 2.939 4.201 10.026 1.00 0.00 C ATOM 676 C GLY A 48 2.043 5.348 10.508 1.00 0.00 C ATOM 677 O GLY A 48 2.039 5.663 11.683 1.00 0.00 O ATOM 0 H GLY A 48 4.338 4.124 8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.353 3.534 9.394 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.266 3.619 10.888 1.00 0.00 H new ATOM 681 N CYS A 49 1.319 5.931 9.583 1.00 0.00 N ATOM 682 CA CYS A 49 0.390 7.068 9.897 1.00 0.00 C ATOM 683 C CYS A 49 0.943 8.165 10.833 1.00 0.00 C ATOM 684 O CYS A 49 0.177 8.842 11.493 1.00 0.00 O ATOM 685 CB CYS A 49 -0.911 6.458 10.497 1.00 0.00 C ATOM 686 SG CYS A 49 -0.749 4.984 11.535 1.00 0.00 S ATOM 0 H CYS A 49 1.332 5.661 8.599 1.00 0.00 H new ATOM 0 HA CYS A 49 0.220 7.595 8.958 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.403 7.231 11.087 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.579 6.215 9.671 1.00 0.00 H new ATOM 691 N SER A 50 2.246 8.332 10.878 1.00 0.00 N ATOM 692 CA SER A 50 2.830 9.390 11.773 1.00 0.00 C ATOM 693 C SER A 50 2.798 10.784 11.124 1.00 0.00 C ATOM 694 O SER A 50 3.654 11.619 11.348 1.00 0.00 O ATOM 695 CB SER A 50 4.283 8.990 12.117 1.00 0.00 C ATOM 696 OG SER A 50 4.139 7.782 12.850 1.00 0.00 O ATOM 0 H SER A 50 2.924 7.790 10.342 1.00 0.00 H new ATOM 0 HA SER A 50 2.226 9.454 12.678 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.881 8.843 11.217 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.780 9.759 12.708 1.00 0.00 H new ATOM 0 HG SER A 50 4.405 7.025 12.288 1.00 0.00 H new ATOM 702 N GLY A 51 1.779 10.971 10.328 1.00 0.00 N ATOM 703 CA GLY A 51 1.566 12.255 9.603 1.00 0.00 C ATOM 704 C GLY A 51 0.114 12.359 9.127 1.00 0.00 C ATOM 705 O GLY A 51 -0.818 12.165 9.884 1.00 0.00 O ATOM 0 H GLY A 51 1.066 10.265 10.146 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.803 13.094 10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.241 12.316 8.750 1.00 0.00 H new ATOM 709 N VAL A 52 -0.001 12.667 7.861 1.00 0.00 N ATOM 710 CA VAL A 52 -1.321 12.821 7.172 1.00 0.00 C ATOM 711 C VAL A 52 -1.277 11.917 5.928 1.00 0.00 C ATOM 712 O VAL A 52 -0.210 11.518 5.499 1.00 0.00 O ATOM 713 CB VAL A 52 -1.502 14.317 6.780 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.864 14.553 6.080 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.429 15.209 8.041 1.00 0.00 C ATOM 0 H VAL A 52 0.801 12.825 7.250 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.160 12.535 7.806 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.699 14.577 6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.961 15.607 5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.918 13.948 5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.673 14.270 6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.557 16.253 7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.219 14.923 8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.459 15.080 8.522 1.00 0.00 H new ATOM 725 N ALA A 53 -2.429 11.616 5.379 1.00 0.00 N ATOM 726 CA ALA A 53 -2.474 10.743 4.165 1.00 0.00 C ATOM 727 C ALA A 53 -1.895 11.471 2.939 1.00 0.00 C ATOM 728 O ALA A 53 -1.436 12.593 3.045 1.00 0.00 O ATOM 729 CB ALA A 53 -3.930 10.343 3.881 1.00 0.00 C ATOM 0 H ALA A 53 -3.336 11.936 5.718 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.871 9.855 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.967 9.707 2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.331 9.799 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.526 11.239 3.708 1.00 0.00 H new ATOM 735 N HIS A 54 -1.938 10.808 1.809 1.00 0.00 N ATOM 736 CA HIS A 54 -1.407 11.407 0.547 1.00 0.00 C ATOM 737 C HIS A 54 -2.223 10.872 -0.639 1.00 0.00 C ATOM 738 O HIS A 54 -2.849 11.638 -1.347 1.00 0.00 O ATOM 739 CB HIS A 54 0.080 11.022 0.421 1.00 0.00 C ATOM 740 CG HIS A 54 0.712 11.750 -0.772 1.00 0.00 C ATOM 741 ND1 HIS A 54 0.475 11.648 -2.134 1.00 0.00 N flip ATOM 742 CD2 HIS A 54 1.638 12.647 -0.680 1.00 0.00 C flip ATOM 743 CE1 HIS A 54 1.259 12.477 -2.796 1.00 0.00 C flip ATOM 744 NE2 HIS A 54 1.958 13.070 -1.861 1.00 0.00 N flip ATOM 0 H HIS A 54 -2.322 9.869 1.707 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.492 12.494 0.557 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.610 11.281 1.338 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.175 9.944 0.291 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.079 12.992 0.244 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.312 12.631 -3.864 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.669 13.779 -2.041 1.00 0.00 H new ATOM 752 N THR A 55 -2.187 9.574 -0.814 1.00 0.00 N ATOM 753 CA THR A 55 -2.936 8.913 -1.933 1.00 0.00 C ATOM 754 C THR A 55 -4.195 8.223 -1.381 1.00 0.00 C ATOM 755 O THR A 55 -4.342 8.077 -0.184 1.00 0.00 O ATOM 756 CB THR A 55 -1.985 7.893 -2.605 1.00 0.00 C ATOM 757 OG1 THR A 55 -0.917 8.691 -3.095 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.586 7.235 -3.869 1.00 0.00 C ATOM 0 H THR A 55 -1.662 8.932 -0.220 1.00 0.00 H new ATOM 0 HA THR A 55 -3.261 9.647 -2.671 1.00 0.00 H new ATOM 0 HB THR A 55 -1.738 7.110 -1.888 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.065 8.236 -2.927 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.867 6.532 -4.290 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.500 6.704 -3.603 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.814 8.005 -4.606 1.00 0.00 H new ATOM 766 N ARG A 56 -5.057 7.832 -2.287 1.00 0.00 N ATOM 767 CA ARG A 56 -6.343 7.139 -1.944 1.00 0.00 C ATOM 768 C ARG A 56 -6.647 6.054 -2.987 1.00 0.00 C ATOM 769 O ARG A 56 -6.355 6.225 -4.156 1.00 0.00 O ATOM 770 CB ARG A 56 -7.495 8.173 -1.925 1.00 0.00 C ATOM 771 CG ARG A 56 -7.480 9.029 -0.635 1.00 0.00 C ATOM 772 CD ARG A 56 -7.977 8.202 0.575 1.00 0.00 C ATOM 773 NE ARG A 56 -9.387 7.763 0.309 1.00 0.00 N ATOM 774 CZ ARG A 56 -10.053 6.984 1.130 1.00 0.00 C ATOM 775 NH1 ARG A 56 -9.512 6.549 2.237 1.00 0.00 N ATOM 776 NH2 ARG A 56 -11.273 6.655 0.805 1.00 0.00 N ATOM 0 H ARG A 56 -4.918 7.969 -3.288 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.250 6.675 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.412 8.825 -2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.450 7.654 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.470 9.391 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.113 9.906 -0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.334 7.336 0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.932 8.800 1.485 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.847 8.082 -0.544 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.556 6.814 2.476 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.045 5.945 2.862 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.680 7.001 -0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.819 6.051 1.419 1.00 0.00 H new ATOM 790 N PHE A 57 -7.226 4.971 -2.524 1.00 0.00 N ATOM 791 CA PHE A 57 -7.588 3.829 -3.425 1.00 0.00 C ATOM 792 C PHE A 57 -9.063 3.459 -3.217 1.00 0.00 C ATOM 793 O PHE A 57 -9.411 2.783 -2.267 1.00 0.00 O ATOM 794 CB PHE A 57 -6.720 2.590 -3.109 1.00 0.00 C ATOM 795 CG PHE A 57 -5.221 2.792 -3.390 1.00 0.00 C ATOM 796 CD1 PHE A 57 -4.758 3.481 -4.501 1.00 0.00 C ATOM 797 CD2 PHE A 57 -4.303 2.255 -2.509 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.403 3.626 -4.719 1.00 0.00 C ATOM 799 CE2 PHE A 57 -2.953 2.399 -2.728 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.498 3.084 -3.832 1.00 0.00 C ATOM 0 H PHE A 57 -7.467 4.828 -1.543 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.415 4.137 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.851 2.325 -2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.080 1.746 -3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.462 3.907 -5.200 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.649 1.716 -1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.051 4.165 -5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.247 1.973 -2.031 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.437 3.196 -4.002 1.00 0.00 H new ATOM 810 N GLY A 58 -9.887 3.921 -4.124 1.00 0.00 N ATOM 811 CA GLY A 58 -11.353 3.638 -4.048 1.00 0.00 C ATOM 812 C GLY A 58 -11.676 2.256 -4.631 1.00 0.00 C ATOM 813 O GLY A 58 -12.668 1.650 -4.271 1.00 0.00 O ATOM 0 H GLY A 58 -9.603 4.488 -4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.683 3.685 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.904 4.405 -4.593 1.00 0.00 H new ATOM 817 N SER A 59 -10.820 1.804 -5.513 1.00 0.00 N ATOM 818 CA SER A 59 -11.004 0.470 -6.168 1.00 0.00 C ATOM 819 C SER A 59 -9.652 -0.175 -6.513 1.00 0.00 C ATOM 820 O SER A 59 -8.704 0.532 -6.797 1.00 0.00 O ATOM 821 CB SER A 59 -11.842 0.668 -7.449 1.00 0.00 C ATOM 822 OG SER A 59 -11.092 1.580 -8.242 1.00 0.00 O ATOM 0 H SER A 59 -9.987 2.311 -5.812 1.00 0.00 H new ATOM 0 HA SER A 59 -11.518 -0.200 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.994 -0.277 -7.971 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.830 1.066 -7.217 1.00 0.00 H new ATOM 0 HG SER A 59 -11.568 1.752 -9.081 1.00 0.00 H new ATOM 828 N SER A 60 -9.613 -1.491 -6.469 1.00 0.00 N ATOM 829 CA SER A 60 -8.386 -2.292 -6.779 1.00 0.00 C ATOM 830 C SER A 60 -7.519 -1.637 -7.873 1.00 0.00 C ATOM 831 O SER A 60 -7.953 -1.517 -9.003 1.00 0.00 O ATOM 832 CB SER A 60 -8.825 -3.699 -7.239 1.00 0.00 C ATOM 833 OG SER A 60 -9.724 -4.161 -6.240 1.00 0.00 O ATOM 0 H SER A 60 -10.420 -2.063 -6.219 1.00 0.00 H new ATOM 0 HA SER A 60 -7.776 -2.346 -5.877 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.309 -3.660 -8.215 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.968 -4.366 -7.335 1.00 0.00 H new ATOM 0 HG SER A 60 -10.043 -5.057 -6.476 1.00 0.00 H new ATOM 839 N ALA A 61 -6.329 -1.238 -7.497 1.00 0.00 N ATOM 840 CA ALA A 61 -5.390 -0.582 -8.467 1.00 0.00 C ATOM 841 C ALA A 61 -3.998 -1.233 -8.437 1.00 0.00 C ATOM 842 O ALA A 61 -3.261 -1.068 -7.485 1.00 0.00 O ATOM 843 CB ALA A 61 -5.296 0.911 -8.105 1.00 0.00 C ATOM 0 H ALA A 61 -5.962 -1.339 -6.551 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.774 -0.705 -9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.618 1.411 -8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.285 1.365 -8.174 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.919 1.016 -7.088 1.00 0.00 H new ATOM 849 N ARG A 62 -3.690 -1.952 -9.489 1.00 0.00 N ATOM 850 CA ARG A 62 -2.377 -2.653 -9.623 1.00 0.00 C ATOM 851 C ARG A 62 -1.252 -1.731 -10.118 1.00 0.00 C ATOM 852 O ARG A 62 -1.001 -1.637 -11.306 1.00 0.00 O ATOM 853 CB ARG A 62 -2.572 -3.833 -10.599 1.00 0.00 C ATOM 854 CG ARG A 62 -3.447 -4.938 -9.974 1.00 0.00 C ATOM 855 CD ARG A 62 -3.628 -6.075 -10.995 1.00 0.00 C ATOM 856 NE ARG A 62 -4.403 -7.172 -10.337 1.00 0.00 N ATOM 857 CZ ARG A 62 -4.470 -8.375 -10.855 1.00 0.00 C ATOM 858 NH1 ARG A 62 -3.858 -8.655 -11.976 1.00 0.00 N ATOM 859 NH2 ARG A 62 -5.163 -9.278 -10.219 1.00 0.00 N ATOM 0 H ARG A 62 -4.315 -2.085 -10.284 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.066 -3.000 -8.638 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.036 -3.475 -11.518 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.601 -4.246 -10.872 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.980 -5.319 -9.066 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.417 -4.532 -9.687 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.155 -5.713 -11.878 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.658 -6.443 -11.331 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.892 -6.980 -9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.321 -7.934 -12.458 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.918 -9.594 -12.369 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.633 -9.039 -9.346 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.235 -10.224 -10.595 1.00 0.00 H new ATOM 873 N ALA A 63 -0.608 -1.073 -9.185 1.00 0.00 N ATOM 874 CA ALA A 63 0.511 -0.147 -9.548 1.00 0.00 C ATOM 875 C ALA A 63 1.866 -0.894 -9.550 1.00 0.00 C ATOM 876 O ALA A 63 1.983 -1.974 -9.003 1.00 0.00 O ATOM 877 CB ALA A 63 0.542 1.022 -8.538 1.00 0.00 C ATOM 0 H ALA A 63 -0.809 -1.137 -8.187 1.00 0.00 H new ATOM 0 HA ALA A 63 0.344 0.240 -10.553 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.354 1.702 -8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.406 1.559 -8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.700 0.630 -7.533 1.00 0.00 H new ATOM 883 N CYS A 64 2.864 -0.309 -10.166 1.00 0.00 N ATOM 884 CA CYS A 64 4.215 -0.967 -10.213 1.00 0.00 C ATOM 885 C CYS A 64 5.323 0.099 -10.223 1.00 0.00 C ATOM 886 O CYS A 64 6.478 -0.194 -10.463 1.00 0.00 O ATOM 887 CB CYS A 64 4.264 -1.853 -11.484 1.00 0.00 C ATOM 888 SG CYS A 64 2.774 -2.857 -11.732 1.00 0.00 S ATOM 0 H CYS A 64 2.806 0.593 -10.638 1.00 0.00 H new ATOM 0 HA CYS A 64 4.377 -1.587 -9.331 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.410 -1.215 -12.355 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.130 -2.513 -11.423 1.00 0.00 H new ATOM 893 N ASN A 65 4.923 1.317 -9.952 1.00 0.00 N ATOM 894 CA ASN A 65 5.860 2.477 -9.911 1.00 0.00 C ATOM 895 C ASN A 65 6.784 2.342 -8.679 1.00 0.00 C ATOM 896 O ASN A 65 6.476 1.568 -7.794 1.00 0.00 O ATOM 897 CB ASN A 65 5.006 3.757 -9.827 1.00 0.00 C ATOM 898 CG ASN A 65 4.227 3.805 -8.498 1.00 0.00 C ATOM 899 OD1 ASN A 65 3.558 2.867 -8.111 1.00 0.00 O ATOM 900 ND2 ASN A 65 4.291 4.886 -7.770 1.00 0.00 N ATOM 0 H ASN A 65 3.953 1.560 -9.751 1.00 0.00 H new ATOM 0 HA ASN A 65 6.490 2.514 -10.799 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.647 4.634 -9.910 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.309 3.791 -10.664 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.783 4.937 -6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.849 5.680 -8.084 1.00 0.00 H new ATOM 907 N PRO A 66 7.875 3.078 -8.635 1.00 0.00 N ATOM 908 CA PRO A 66 8.687 3.238 -7.386 1.00 0.00 C ATOM 909 C PRO A 66 7.796 3.711 -6.221 1.00 0.00 C ATOM 910 O PRO A 66 6.688 4.162 -6.441 1.00 0.00 O ATOM 911 CB PRO A 66 9.785 4.246 -7.728 1.00 0.00 C ATOM 912 CG PRO A 66 9.707 4.518 -9.243 1.00 0.00 C ATOM 913 CD PRO A 66 8.445 3.831 -9.793 1.00 0.00 C ATOM 0 HA PRO A 66 9.127 2.297 -7.056 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.647 5.169 -7.165 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.765 3.852 -7.459 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.670 5.590 -9.435 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.596 4.135 -9.744 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.733 4.562 -10.176 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.689 3.161 -10.617 1.00 0.00 H new ATOM 921 N PHE A 67 8.298 3.603 -5.013 1.00 0.00 N ATOM 922 CA PHE A 67 7.489 4.039 -3.829 1.00 0.00 C ATOM 923 C PHE A 67 7.294 5.565 -3.836 1.00 0.00 C ATOM 924 O PHE A 67 7.850 6.272 -4.654 1.00 0.00 O ATOM 925 CB PHE A 67 8.214 3.627 -2.514 1.00 0.00 C ATOM 926 CG PHE A 67 7.253 3.142 -1.390 1.00 0.00 C ATOM 927 CD1 PHE A 67 5.867 3.244 -1.456 1.00 0.00 C ATOM 928 CD2 PHE A 67 7.808 2.570 -0.256 1.00 0.00 C ATOM 929 CE1 PHE A 67 5.079 2.790 -0.422 1.00 0.00 C ATOM 930 CE2 PHE A 67 7.017 2.117 0.775 1.00 0.00 C ATOM 931 CZ PHE A 67 5.651 2.229 0.690 1.00 0.00 C ATOM 0 H PHE A 67 9.224 3.235 -4.796 1.00 0.00 H new ATOM 0 HA PHE A 67 6.514 3.555 -3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.927 2.833 -2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.789 4.477 -2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.404 3.684 -2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.881 2.478 -0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.004 2.876 -0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.470 1.674 1.650 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.028 1.875 1.498 1.00 0.00 H new ATOM 941 N GLY A 68 6.496 6.011 -2.904 1.00 0.00 N ATOM 942 CA GLY A 68 6.191 7.464 -2.757 1.00 0.00 C ATOM 943 C GLY A 68 5.678 7.749 -1.341 1.00 0.00 C ATOM 944 O GLY A 68 5.431 8.890 -1.000 1.00 0.00 O ATOM 0 H GLY A 68 6.031 5.413 -2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.086 8.054 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.443 7.764 -3.491 1.00 0.00 H new ATOM 948 N TRP A 69 5.531 6.702 -0.561 1.00 0.00 N ATOM 949 CA TRP A 69 5.037 6.848 0.843 1.00 0.00 C ATOM 950 C TRP A 69 5.768 5.841 1.749 1.00 0.00 C ATOM 951 O TRP A 69 6.654 5.142 1.296 1.00 0.00 O ATOM 952 CB TRP A 69 3.515 6.577 0.875 1.00 0.00 C ATOM 953 CG TRP A 69 2.846 7.279 -0.316 1.00 0.00 C ATOM 954 CD1 TRP A 69 2.374 8.560 -0.358 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.640 6.712 -1.534 1.00 0.00 C ATOM 956 NE1 TRP A 69 1.918 8.695 -1.580 1.00 0.00 N ATOM 957 CE2 TRP A 69 2.032 7.644 -2.364 1.00 0.00 C ATOM 958 CE3 TRP A 69 2.931 5.437 -2.012 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.719 7.301 -3.676 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.619 5.091 -3.320 1.00 0.00 C ATOM 961 CH2 TRP A 69 2.012 6.025 -4.156 1.00 0.00 C ATOM 0 H TRP A 69 5.735 5.743 -0.843 1.00 0.00 H new ATOM 0 HA TRP A 69 5.232 7.858 1.202 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.325 5.505 0.833 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.090 6.940 1.811 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.376 9.294 0.434 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.498 9.566 -1.905 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.402 4.714 -1.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.248 8.025 -4.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.846 4.101 -3.688 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.769 5.761 -5.175 1.00 0.00 H new ATOM 972 N LYS A 70 5.376 5.800 3.000 1.00 0.00 N ATOM 973 CA LYS A 70 5.989 4.875 3.996 1.00 0.00 C ATOM 974 C LYS A 70 5.004 3.809 4.501 1.00 0.00 C ATOM 975 O LYS A 70 5.392 2.671 4.678 1.00 0.00 O ATOM 976 CB LYS A 70 6.499 5.727 5.161 1.00 0.00 C ATOM 977 CG LYS A 70 7.794 6.452 4.753 1.00 0.00 C ATOM 978 CD LYS A 70 8.306 7.308 5.934 1.00 0.00 C ATOM 979 CE LYS A 70 9.601 8.029 5.526 1.00 0.00 C ATOM 980 NZ LYS A 70 10.028 8.957 6.613 1.00 0.00 N ATOM 0 H LYS A 70 4.634 6.389 3.379 1.00 0.00 H new ATOM 0 HA LYS A 70 6.802 4.328 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.740 6.454 5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.684 5.096 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.553 5.726 4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.610 7.085 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.548 8.036 6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.488 6.675 6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.387 7.300 5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.443 8.585 4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.904 9.442 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.281 9.661 6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.197 8.416 7.485 1.00 0.00 H new ATOM 994 N SER A 71 3.770 4.204 4.712 1.00 0.00 N ATOM 995 CA SER A 71 2.720 3.253 5.209 1.00 0.00 C ATOM 996 C SER A 71 1.408 3.322 4.428 1.00 0.00 C ATOM 997 O SER A 71 1.171 4.249 3.680 1.00 0.00 O ATOM 998 CB SER A 71 2.435 3.546 6.691 1.00 0.00 C ATOM 999 OG SER A 71 2.210 4.947 6.763 1.00 0.00 O ATOM 0 H SER A 71 3.441 5.157 4.559 1.00 0.00 H new ATOM 0 HA SER A 71 3.118 2.248 5.068 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.565 2.990 7.041 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.276 3.251 7.319 1.00 0.00 H new ATOM 0 HG SER A 71 3.017 5.391 7.097 1.00 0.00 H new ATOM 1005 N ILE A 72 0.604 2.312 4.652 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.725 2.192 3.987 1.00 0.00 C ATOM 1007 C ILE A 72 -1.848 2.023 5.018 1.00 0.00 C ATOM 1008 O ILE A 72 -1.935 1.025 5.707 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.677 0.991 3.023 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.041 0.831 2.331 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.314 -0.335 3.744 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.381 2.017 1.418 1.00 0.00 C ATOM 0 H ILE A 72 0.823 1.545 5.287 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.940 3.105 3.431 1.00 0.00 H new ATOM 0 HB ILE A 72 0.105 1.195 2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.041 -0.087 1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.818 0.725 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.294 -1.149 3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.667 -0.239 4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.060 -0.549 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.354 1.852 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.410 2.933 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.621 2.109 0.642 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.669 3.036 5.081 1.00 0.00 N ATOM 1025 CA PHE A 73 -3.829 3.051 6.021 1.00 0.00 C ATOM 1026 C PHE A 73 -5.059 2.466 5.322 1.00 0.00 C ATOM 1027 O PHE A 73 -5.253 2.676 4.141 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.134 4.499 6.459 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.420 4.486 7.308 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.379 4.111 8.638 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -6.636 4.834 6.745 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.532 4.084 9.393 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -7.790 4.807 7.501 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.738 4.431 8.826 1.00 0.00 C ATOM 0 H PHE A 73 -2.583 3.874 4.507 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.584 2.453 6.899 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.302 4.905 7.035 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.261 5.141 5.587 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.437 3.837 9.089 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.682 5.129 5.707 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.489 3.790 10.431 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.734 5.081 7.054 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.641 4.409 9.418 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.849 1.745 6.077 1.00 0.00 N ATOM 1045 CA ILE A 74 -7.088 1.123 5.515 1.00 0.00 C ATOM 1046 C ILE A 74 -8.221 1.375 6.521 1.00 0.00 C ATOM 1047 O ILE A 74 -8.061 1.158 7.708 1.00 0.00 O ATOM 1048 CB ILE A 74 -6.858 -0.401 5.311 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -5.603 -0.597 4.396 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -8.114 -0.993 4.612 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -5.338 -2.085 4.108 1.00 0.00 C ATOM 0 H ILE A 74 -5.688 1.559 7.067 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.345 1.554 4.547 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.695 -0.902 6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.751 -0.065 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.729 -0.158 4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.975 -2.063 4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.991 -0.827 5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.259 -0.504 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.459 -2.181 3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.165 -2.612 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.202 -2.517 3.603 1.00 0.00 H new ATOM 1063 N GLN A 75 -9.333 1.827 5.995 1.00 0.00 N ATOM 1064 CA GLN A 75 -10.541 2.132 6.829 1.00 0.00 C ATOM 1065 C GLN A 75 -11.075 0.908 7.590 1.00 0.00 C ATOM 1066 O GLN A 75 -11.511 1.037 8.718 1.00 0.00 O ATOM 1067 CB GLN A 75 -11.655 2.680 5.920 1.00 0.00 C ATOM 1068 CG GLN A 75 -11.165 3.928 5.146 1.00 0.00 C ATOM 1069 CD GLN A 75 -12.265 4.444 4.207 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -13.131 3.603 3.712 1.00 0.00 O flip ATOM 1071 NE2 GLN A 75 -12.344 5.620 3.912 1.00 0.00 N flip ATOM 0 H GLN A 75 -9.458 2.002 4.998 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.237 2.867 7.574 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.969 1.909 5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.527 2.938 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.882 4.711 5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.274 3.679 4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.673 6.287 4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.081 5.940 3.284 1.00 0.00 H new ATOM 1080 N CYS A 76 -11.017 -0.233 6.944 1.00 0.00 N ATOM 1081 CA CYS A 76 -11.488 -1.542 7.511 1.00 0.00 C ATOM 1082 C CYS A 76 -13.012 -1.642 7.753 1.00 0.00 C ATOM 1083 O CYS A 76 -13.499 -2.751 7.609 1.00 0.00 O ATOM 1084 CB CYS A 76 -10.758 -1.790 8.828 1.00 0.00 C ATOM 1085 SG CYS A 76 -10.558 -3.511 9.342 1.00 0.00 S ATOM 1086 OXT CYS A 76 -13.614 -0.628 8.069 1.00 0.00 O ATOM 0 H CYS A 76 -10.643 -0.314 5.998 1.00 0.00 H new ATOM 0 HA CYS A 76 -11.261 -2.297 6.758 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -9.768 -1.340 8.757 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.292 -1.261 9.617 1.00 0.00 H new