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 59 SER OG : rot 180:sc= -0.0545 USER MOD Set 1.2: A 60 SER OG : rot 32:sc= 0.549 USER MOD Set 2.1: A 45 ASN :FLIP amide:sc= -1.28 F(o=-7.5!,f=-2.1) USER MOD Set 2.2: A 54 HIS : no HE2:sc= -0.782 X(o=-2.1,f=-2.2) USER MOD Set 3.1: A 18 TYR OH : rot 8:sc= 0.93 USER MOD Set 3.2: A 27 HIS : no HD1:sc= 0 X(o=-0.34,f=-0.34) USER MOD Set 3.3: A 28 GLN : amide:sc= -1.27! C(o=-0.34!,f=-3.1!) USER MOD Set 4.1: A 7 SER OG : rot -11:sc= 0.848 USER MOD Set 4.2: A 13 ASN : amide:sc= -6.33! C(o=-5.5!,f=-14!) USER MOD Single : A 1 SER N :NH3+ -133:sc= -0.9 (180deg=-4.17!) USER MOD Single : A 1 SER OG : rot 38:sc= 1.19 USER MOD Single : A 4 THR OG1 : rot 119:sc= -0.675 USER MOD Single : A 12 ASN :FLIP amide:sc= -1.01 F(o=-2.6,f=-1) USER MOD Single : A 19 SER OG : rot 77:sc= 0.59 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 25:sc= 0.307 USER MOD Single : A 29 LYS NZ :NH3+ 132:sc= 0.0302 (180deg=-0.859) USER MOD Single : A 32 TYR OH : rot 178:sc= 0.68 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -4.1 K(o=-4.1,f=-6.2!) USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.00598 USER MOD Single : A 44 TYR OH : rot 15:sc= -1.58 USER MOD Single : A 46 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.62) USER MOD Single : A 50 SER OG : rot 86:sc= 0.0295 USER MOD Single : A 55 THR OG1 : rot -150:sc=-0.000771 USER MOD Single : A 65 ASN :FLIP amide:sc= 0.0208 F(o=-0.93,f=0.021) USER MOD Single : A 70 LYS NZ :NH3+ -138:sc= -0.0861 (180deg=-0.502) USER MOD Single : A 71 SER OG : rot 65:sc= 0.779 USER MOD Single : A 75 GLN : amide:sc= -0.477 K(o=-0.48,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.950 -7.058 0.223 1.00 0.00 N ATOM 2 CA SER A 1 -9.305 -5.728 0.039 1.00 0.00 C ATOM 3 C SER A 1 -7.910 -5.781 0.671 1.00 0.00 C ATOM 4 O SER A 1 -7.786 -6.124 1.833 1.00 0.00 O ATOM 5 CB SER A 1 -10.141 -4.644 0.730 1.00 0.00 C ATOM 6 OG SER A 1 -9.456 -3.423 0.493 1.00 0.00 O ATOM 0 H1 SER A 1 -10.371 -7.367 -0.676 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.236 -7.751 0.527 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.693 -6.986 0.947 1.00 0.00 H new ATOM 0 HA SER A 1 -9.232 -5.491 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.152 -4.611 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.232 -4.841 1.798 1.00 0.00 H new ATOM 0 HG SER A 1 -9.083 -3.428 -0.413 1.00 0.00 H new ATOM 11 N ALA A 2 -6.907 -5.438 -0.100 1.00 0.00 N ATOM 12 CA ALA A 2 -5.504 -5.464 0.431 1.00 0.00 C ATOM 13 C ALA A 2 -4.493 -4.837 -0.539 1.00 0.00 C ATOM 14 O ALA A 2 -4.608 -4.990 -1.739 1.00 0.00 O ATOM 15 CB ALA A 2 -5.103 -6.913 0.693 1.00 0.00 C ATOM 0 H ALA A 2 -6.997 -5.142 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.489 -4.874 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.084 -6.944 1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.782 -7.352 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.156 -7.479 -0.237 1.00 0.00 H new ATOM 21 N PHE A 3 -3.536 -4.149 0.038 1.00 0.00 N ATOM 22 CA PHE A 3 -2.456 -3.469 -0.737 1.00 0.00 C ATOM 23 C PHE A 3 -1.196 -4.347 -0.879 1.00 0.00 C ATOM 24 O PHE A 3 -0.434 -4.493 0.058 1.00 0.00 O ATOM 25 CB PHE A 3 -2.154 -2.173 0.005 1.00 0.00 C ATOM 26 CG PHE A 3 -1.050 -1.332 -0.660 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.313 -0.613 -1.811 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.217 -1.273 -0.107 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.329 0.153 -2.400 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.193 -0.506 -0.700 1.00 0.00 C ATOM 31 CZ PHE A 3 0.928 0.206 -1.841 1.00 0.00 C ATOM 0 H PHE A 3 -3.460 -4.029 1.048 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.782 -3.274 -1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -3.065 -1.578 0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.856 -2.409 1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.298 -0.651 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.440 -1.830 0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.544 0.711 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.179 -0.464 -0.262 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.701 0.805 -2.299 1.00 0.00 H new ATOM 41 N THR A 4 -1.020 -4.906 -2.051 1.00 0.00 N ATOM 42 CA THR A 4 0.169 -5.778 -2.320 1.00 0.00 C ATOM 43 C THR A 4 1.362 -4.860 -2.634 1.00 0.00 C ATOM 44 O THR A 4 1.177 -3.719 -3.014 1.00 0.00 O ATOM 45 CB THR A 4 -0.115 -6.682 -3.524 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.354 -7.310 -3.231 1.00 0.00 O ATOM 47 CG2 THR A 4 0.886 -7.853 -3.615 1.00 0.00 C ATOM 0 H THR A 4 -1.655 -4.795 -2.842 1.00 0.00 H new ATOM 0 HA THR A 4 0.385 -6.406 -1.456 1.00 0.00 H new ATOM 0 HB THR A 4 -0.077 -6.085 -4.435 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.015 -7.062 -3.910 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.648 -8.468 -4.483 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.898 -7.460 -3.715 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.820 -8.459 -2.711 1.00 0.00 H new ATOM 55 N VAL A 5 2.546 -5.394 -2.469 1.00 0.00 N ATOM 56 CA VAL A 5 3.803 -4.618 -2.728 1.00 0.00 C ATOM 57 C VAL A 5 4.983 -5.532 -3.106 1.00 0.00 C ATOM 58 O VAL A 5 5.331 -6.416 -2.350 1.00 0.00 O ATOM 59 CB VAL A 5 4.218 -3.810 -1.457 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.302 -2.619 -1.207 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.127 -4.693 -0.189 1.00 0.00 C ATOM 0 H VAL A 5 2.700 -6.354 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 5 3.585 -3.950 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 5 5.238 -3.473 -1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.630 -2.089 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.339 -1.945 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.280 -2.970 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.421 -4.109 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.103 -5.044 -0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.793 -5.549 -0.293 1.00 0.00 H new ATOM 71 N TRP A 6 5.573 -5.307 -4.255 1.00 0.00 N ATOM 72 CA TRP A 6 6.727 -6.124 -4.703 1.00 0.00 C ATOM 73 C TRP A 6 7.963 -5.316 -4.282 1.00 0.00 C ATOM 74 O TRP A 6 7.911 -4.100 -4.301 1.00 0.00 O ATOM 75 CB TRP A 6 6.648 -6.280 -6.217 1.00 0.00 C ATOM 76 CG TRP A 6 5.506 -7.220 -6.618 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.690 -8.505 -7.037 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.169 -6.954 -6.627 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.482 -8.952 -7.272 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.502 -8.102 -7.056 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.435 -5.817 -6.304 1.00 0.00 C ATOM 82 CZ2 TRP A 6 2.115 -8.107 -7.158 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.054 -5.829 -6.408 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.392 -6.973 -6.836 1.00 0.00 C ATOM 0 H TRP A 6 5.292 -4.576 -4.908 1.00 0.00 H new ATOM 0 HA TRP A 6 6.753 -7.126 -4.274 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.498 -5.304 -6.679 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.593 -6.670 -6.595 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.624 -9.035 -7.150 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.311 -9.902 -7.603 1.00 0.00 H new ATOM 0 HE3 TRP A 6 3.943 -4.924 -5.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.602 -8.998 -7.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.489 -4.944 -6.155 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.315 -6.977 -6.917 1.00 0.00 H new ATOM 95 N SER A 7 9.033 -5.988 -3.922 1.00 0.00 N ATOM 96 CA SER A 7 10.269 -5.247 -3.493 1.00 0.00 C ATOM 97 C SER A 7 10.822 -4.337 -4.605 1.00 0.00 C ATOM 98 O SER A 7 11.615 -3.455 -4.342 1.00 0.00 O ATOM 99 CB SER A 7 11.351 -6.270 -3.068 1.00 0.00 C ATOM 100 OG SER A 7 11.683 -7.002 -4.237 1.00 0.00 O ATOM 0 H SER A 7 9.106 -7.005 -3.906 1.00 0.00 H new ATOM 0 HA SER A 7 9.999 -4.604 -2.655 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.228 -5.764 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.976 -6.932 -2.287 1.00 0.00 H new ATOM 0 HG SER A 7 11.032 -6.804 -4.943 1.00 0.00 H new ATOM 106 N GLY A 8 10.373 -4.591 -5.810 1.00 0.00 N ATOM 107 CA GLY A 8 10.803 -3.800 -7.000 1.00 0.00 C ATOM 108 C GLY A 8 11.570 -4.656 -8.019 1.00 0.00 C ATOM 109 O GLY A 8 12.043 -5.724 -7.680 1.00 0.00 O ATOM 0 H GLY A 8 9.708 -5.335 -6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.927 -3.364 -7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.434 -2.972 -6.675 1.00 0.00 H new ATOM 113 N PRO A 9 11.686 -4.172 -9.239 1.00 0.00 N ATOM 114 CA PRO A 9 11.347 -2.774 -9.657 1.00 0.00 C ATOM 115 C PRO A 9 9.826 -2.579 -9.749 1.00 0.00 C ATOM 116 O PRO A 9 9.260 -1.744 -9.068 1.00 0.00 O ATOM 117 CB PRO A 9 12.049 -2.577 -11.002 1.00 0.00 C ATOM 118 CG PRO A 9 12.453 -3.978 -11.509 1.00 0.00 C ATOM 119 CD PRO A 9 12.183 -4.993 -10.380 1.00 0.00 C ATOM 0 HA PRO A 9 11.681 -2.031 -8.933 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.387 -2.085 -11.714 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.926 -1.940 -10.890 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.882 -4.239 -12.400 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.506 -3.992 -11.789 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.445 -5.735 -10.684 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.089 -5.536 -10.111 1.00 0.00 H new ATOM 127 N GLY A 10 9.225 -3.369 -10.599 1.00 0.00 N ATOM 128 CA GLY A 10 7.756 -3.310 -10.803 1.00 0.00 C ATOM 129 C GLY A 10 7.061 -4.327 -9.899 1.00 0.00 C ATOM 130 O GLY A 10 7.508 -4.618 -8.807 1.00 0.00 O ATOM 0 H GLY A 10 9.704 -4.065 -11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.390 -2.307 -10.584 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.517 -3.516 -11.846 1.00 0.00 H new ATOM 134 N CYS A 11 5.975 -4.826 -10.419 1.00 0.00 N ATOM 135 CA CYS A 11 5.123 -5.838 -9.727 1.00 0.00 C ATOM 136 C CYS A 11 5.440 -7.201 -10.355 1.00 0.00 C ATOM 137 O CYS A 11 4.604 -7.794 -11.010 1.00 0.00 O ATOM 138 CB CYS A 11 3.685 -5.431 -9.964 1.00 0.00 C ATOM 139 SG CYS A 11 3.319 -5.096 -11.706 1.00 0.00 S ATOM 0 H CYS A 11 5.627 -4.561 -11.340 1.00 0.00 H new ATOM 0 HA CYS A 11 5.303 -5.899 -8.654 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.026 -6.222 -9.606 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.464 -4.541 -9.375 1.00 0.00 H new ATOM 144 N ASN A 12 6.647 -7.663 -10.138 1.00 0.00 N ATOM 145 CA ASN A 12 7.060 -8.984 -10.723 1.00 0.00 C ATOM 146 C ASN A 12 7.840 -9.857 -9.739 1.00 0.00 C ATOM 147 O ASN A 12 7.550 -11.024 -9.560 1.00 0.00 O ATOM 148 CB ASN A 12 7.908 -8.676 -11.965 1.00 0.00 C ATOM 149 CG ASN A 12 7.081 -7.821 -12.943 1.00 0.00 C ATOM 150 OD1 ASN A 12 6.933 -6.547 -12.690 1.00 0.00 O flip ATOM 151 ND2 ASN A 12 6.565 -8.303 -13.932 1.00 0.00 N flip ATOM 0 H ASN A 12 7.362 -7.189 -9.586 1.00 0.00 H new ATOM 0 HA ASN A 12 6.169 -9.559 -10.976 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.816 -8.146 -11.678 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.219 -9.603 -12.447 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.678 -9.297 -14.133 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.019 -7.714 -14.561 1.00 0.00 H new ATOM 158 N ASN A 13 8.816 -9.222 -9.148 1.00 0.00 N ATOM 159 CA ASN A 13 9.738 -9.826 -8.143 1.00 0.00 C ATOM 160 C ASN A 13 9.031 -10.435 -6.906 1.00 0.00 C ATOM 161 O ASN A 13 7.900 -10.872 -6.984 1.00 0.00 O ATOM 162 CB ASN A 13 10.709 -8.696 -7.765 1.00 0.00 C ATOM 163 CG ASN A 13 9.893 -7.533 -7.191 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.835 -7.362 -5.994 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.248 -6.719 -7.989 1.00 0.00 N ATOM 0 H ASN A 13 9.022 -8.241 -9.337 1.00 0.00 H new ATOM 0 HA ASN A 13 10.249 -10.689 -8.571 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.435 -9.048 -7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.271 -8.370 -8.640 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.703 -5.949 -7.600 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.291 -6.855 -8.999 1.00 0.00 H new ATOM 172 N ARG A 14 9.717 -10.459 -5.788 1.00 0.00 N ATOM 173 CA ARG A 14 9.117 -11.023 -4.535 1.00 0.00 C ATOM 174 C ARG A 14 8.098 -9.998 -4.013 1.00 0.00 C ATOM 175 O ARG A 14 8.152 -8.853 -4.419 1.00 0.00 O ATOM 176 CB ARG A 14 10.243 -11.259 -3.507 1.00 0.00 C ATOM 177 CG ARG A 14 10.977 -9.932 -3.183 1.00 0.00 C ATOM 178 CD ARG A 14 12.129 -10.198 -2.205 1.00 0.00 C ATOM 179 NE ARG A 14 11.561 -10.777 -0.947 1.00 0.00 N ATOM 180 CZ ARG A 14 12.318 -11.389 -0.071 1.00 0.00 C ATOM 181 NH1 ARG A 14 13.604 -11.512 -0.271 1.00 0.00 N ATOM 182 NH2 ARG A 14 11.750 -11.871 0.999 1.00 0.00 N ATOM 0 H ARG A 14 10.671 -10.111 -5.688 1.00 0.00 H new ATOM 0 HA ARG A 14 8.618 -11.975 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.825 -11.682 -2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.953 -11.987 -3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.362 -9.486 -4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.278 -9.216 -2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.850 -10.886 -2.647 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.663 -9.273 -1.989 1.00 0.00 H new ATOM 0 HE ARG A 14 10.560 -10.693 -0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.028 -11.129 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.184 -11.991 0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.744 -11.766 1.134 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.311 -12.353 1.701 1.00 0.00 H new ATOM 196 N ALA A 15 7.207 -10.408 -3.143 1.00 0.00 N ATOM 197 CA ALA A 15 6.195 -9.435 -2.615 1.00 0.00 C ATOM 198 C ALA A 15 5.648 -9.779 -1.226 1.00 0.00 C ATOM 199 O ALA A 15 5.958 -10.802 -0.649 1.00 0.00 O ATOM 200 CB ALA A 15 5.032 -9.360 -3.619 1.00 0.00 C ATOM 0 H ALA A 15 7.135 -11.358 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 15 6.704 -8.478 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.282 -8.657 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.407 -9.023 -4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.582 -10.347 -3.728 1.00 0.00 H new ATOM 206 N GLU A 16 4.835 -8.865 -0.755 1.00 0.00 N ATOM 207 CA GLU A 16 4.172 -8.974 0.579 1.00 0.00 C ATOM 208 C GLU A 16 2.799 -8.289 0.453 1.00 0.00 C ATOM 209 O GLU A 16 2.621 -7.428 -0.386 1.00 0.00 O ATOM 210 CB GLU A 16 5.038 -8.257 1.635 1.00 0.00 C ATOM 211 CG GLU A 16 4.439 -8.489 3.050 1.00 0.00 C ATOM 212 CD GLU A 16 5.230 -7.748 4.150 1.00 0.00 C ATOM 213 OE1 GLU A 16 6.443 -7.668 4.041 1.00 0.00 O ATOM 214 OE2 GLU A 16 4.558 -7.294 5.062 1.00 0.00 O ATOM 0 H GLU A 16 4.596 -8.014 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 16 4.052 -10.013 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.060 -8.633 1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.082 -7.190 1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.402 -8.153 3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.431 -9.557 3.268 1.00 0.00 H new ATOM 221 N ARG A 17 1.875 -8.692 1.289 1.00 0.00 N ATOM 222 CA ARG A 17 0.501 -8.101 1.266 1.00 0.00 C ATOM 223 C ARG A 17 0.209 -7.363 2.578 1.00 0.00 C ATOM 224 O ARG A 17 0.637 -7.776 3.640 1.00 0.00 O ATOM 225 CB ARG A 17 -0.512 -9.243 1.044 1.00 0.00 C ATOM 226 CG ARG A 17 -1.944 -8.662 0.927 1.00 0.00 C ATOM 227 CD ARG A 17 -2.935 -9.775 0.527 1.00 0.00 C ATOM 228 NE ARG A 17 -2.570 -10.294 -0.831 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.817 -9.610 -1.922 1.00 0.00 C ATOM 230 NH1 ARG A 17 -3.396 -8.440 -1.860 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.469 -10.130 -3.066 1.00 0.00 N ATOM 0 H ARG A 17 2.016 -9.414 1.995 1.00 0.00 H new ATOM 0 HA ARG A 17 0.422 -7.374 0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.259 -9.795 0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.463 -9.950 1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.245 -8.220 1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.962 -7.864 0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.907 -10.583 1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.953 -9.386 0.520 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.117 -11.205 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.661 -8.049 -0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.583 -7.917 -2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.018 -11.044 -3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.648 -9.622 -3.932 1.00 0.00 H new ATOM 245 N TYR A 18 -0.519 -6.283 2.440 1.00 0.00 N ATOM 246 CA TYR A 18 -0.910 -5.431 3.607 1.00 0.00 C ATOM 247 C TYR A 18 -2.434 -5.265 3.608 1.00 0.00 C ATOM 248 O TYR A 18 -2.974 -4.407 2.937 1.00 0.00 O ATOM 249 CB TYR A 18 -0.213 -4.054 3.483 1.00 0.00 C ATOM 250 CG TYR A 18 1.294 -4.200 3.762 1.00 0.00 C ATOM 251 CD1 TYR A 18 2.146 -4.768 2.832 1.00 0.00 C ATOM 252 CD2 TYR A 18 1.821 -3.759 4.964 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.493 -4.890 3.101 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.170 -3.881 5.228 1.00 0.00 C ATOM 255 CZ TYR A 18 4.014 -4.448 4.298 1.00 0.00 C ATOM 256 OH TYR A 18 5.365 -4.568 4.556 1.00 0.00 O ATOM 0 H TYR A 18 -0.868 -5.947 1.542 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.602 -5.898 4.543 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.369 -3.647 2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.655 -3.349 4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.754 -5.118 1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.170 -3.315 5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.146 -5.337 2.366 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.567 -3.530 6.169 1.00 0.00 H new ATOM 0 HH TYR A 18 5.829 -4.860 3.743 1.00 0.00 H new ATOM 266 N SER A 19 -3.073 -6.112 4.375 1.00 0.00 N ATOM 267 CA SER A 19 -4.567 -6.103 4.504 1.00 0.00 C ATOM 268 C SER A 19 -4.967 -5.718 5.942 1.00 0.00 C ATOM 269 O SER A 19 -6.132 -5.520 6.230 1.00 0.00 O ATOM 270 CB SER A 19 -5.086 -7.506 4.163 1.00 0.00 C ATOM 271 OG SER A 19 -6.502 -7.384 4.155 1.00 0.00 O ATOM 0 H SER A 19 -2.610 -6.830 4.933 1.00 0.00 H new ATOM 0 HA SER A 19 -5.002 -5.372 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.713 -7.840 3.195 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.757 -8.238 4.901 1.00 0.00 H new ATOM 0 HG SER A 19 -6.788 -6.947 3.326 1.00 0.00 H new ATOM 277 N LYS A 20 -3.973 -5.628 6.792 1.00 0.00 N ATOM 278 CA LYS A 20 -4.164 -5.270 8.228 1.00 0.00 C ATOM 279 C LYS A 20 -5.029 -4.013 8.421 1.00 0.00 C ATOM 280 O LYS A 20 -4.716 -2.958 7.901 1.00 0.00 O ATOM 281 CB LYS A 20 -2.766 -5.066 8.837 1.00 0.00 C ATOM 282 CG LYS A 20 -1.968 -6.399 8.783 1.00 0.00 C ATOM 283 CD LYS A 20 -0.501 -6.176 9.223 1.00 0.00 C ATOM 284 CE LYS A 20 0.268 -5.382 8.143 1.00 0.00 C ATOM 285 NZ LYS A 20 1.672 -5.156 8.586 1.00 0.00 N ATOM 0 H LYS A 20 -3.000 -5.795 6.535 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.702 -6.075 8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.231 -4.289 8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.855 -4.726 9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.439 -7.137 9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.992 -6.802 7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.476 -5.635 10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.015 -7.137 9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.258 -5.929 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.224 -4.426 7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.185 -4.622 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.673 -4.616 9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.140 -6.072 8.737 1.00 0.00 H new ATOM 299 N CYS A 21 -6.093 -4.179 9.170 1.00 0.00 N ATOM 300 CA CYS A 21 -7.027 -3.046 9.446 1.00 0.00 C ATOM 301 C CYS A 21 -6.371 -2.059 10.422 1.00 0.00 C ATOM 302 O CYS A 21 -6.496 -2.181 11.626 1.00 0.00 O ATOM 303 CB CYS A 21 -8.331 -3.599 10.052 1.00 0.00 C ATOM 304 SG CYS A 21 -9.524 -2.387 10.676 1.00 0.00 S ATOM 0 H CYS A 21 -6.355 -5.063 9.606 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.254 -2.524 8.517 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.828 -4.204 9.293 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.067 -4.268 10.871 1.00 0.00 H new ATOM 309 N GLY A 22 -5.683 -1.104 9.853 1.00 0.00 N ATOM 310 CA GLY A 22 -4.989 -0.070 10.673 1.00 0.00 C ATOM 311 C GLY A 22 -3.820 0.542 9.902 1.00 0.00 C ATOM 312 O GLY A 22 -3.691 0.355 8.707 1.00 0.00 O ATOM 0 H GLY A 22 -5.572 -0.996 8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.695 0.712 10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.626 -0.517 11.598 1.00 0.00 H new ATOM 316 N CYS A 23 -3.013 1.261 10.643 1.00 0.00 N ATOM 317 CA CYS A 23 -1.807 1.946 10.081 1.00 0.00 C ATOM 318 C CYS A 23 -0.650 0.930 10.071 1.00 0.00 C ATOM 319 O CYS A 23 -0.193 0.515 11.120 1.00 0.00 O ATOM 320 CB CYS A 23 -1.504 3.156 10.985 1.00 0.00 C ATOM 321 SG CYS A 23 -2.873 4.308 11.260 1.00 0.00 S ATOM 0 H CYS A 23 -3.145 1.405 11.644 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.959 2.300 9.061 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.168 2.785 11.953 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.672 3.710 10.550 1.00 0.00 H new ATOM 326 N SER A 24 -0.217 0.563 8.889 1.00 0.00 N ATOM 327 CA SER A 24 0.901 -0.424 8.734 1.00 0.00 C ATOM 328 C SER A 24 2.060 0.113 7.879 1.00 0.00 C ATOM 329 O SER A 24 1.846 0.660 6.816 1.00 0.00 O ATOM 330 CB SER A 24 0.324 -1.703 8.097 1.00 0.00 C ATOM 331 OG SER A 24 -0.217 -1.292 6.847 1.00 0.00 O ATOM 0 H SER A 24 -0.597 0.911 8.009 1.00 0.00 H new ATOM 0 HA SER A 24 1.318 -0.626 9.721 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.099 -2.458 7.961 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.444 -2.146 8.731 1.00 0.00 H new ATOM 0 HG SER A 24 0.234 -0.474 6.548 1.00 0.00 H new ATOM 337 N ALA A 25 3.256 -0.072 8.383 1.00 0.00 N ATOM 338 CA ALA A 25 4.486 0.394 7.670 1.00 0.00 C ATOM 339 C ALA A 25 4.922 -0.603 6.588 1.00 0.00 C ATOM 340 O ALA A 25 5.268 -1.734 6.871 1.00 0.00 O ATOM 341 CB ALA A 25 5.608 0.576 8.705 1.00 0.00 C ATOM 0 H ALA A 25 3.434 -0.535 9.274 1.00 0.00 H new ATOM 0 HA ALA A 25 4.271 1.339 7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.514 0.916 8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.304 1.316 9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.803 -0.375 9.201 1.00 0.00 H new ATOM 347 N ILE A 26 4.882 -0.126 5.369 1.00 0.00 N ATOM 348 CA ILE A 26 5.274 -0.952 4.187 1.00 0.00 C ATOM 349 C ILE A 26 6.803 -0.982 4.066 1.00 0.00 C ATOM 350 O ILE A 26 7.456 0.035 4.207 1.00 0.00 O ATOM 351 CB ILE A 26 4.611 -0.318 2.935 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.076 -0.538 3.021 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.159 -0.990 1.647 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.371 0.577 2.246 1.00 0.00 C ATOM 0 H ILE A 26 4.587 0.823 5.139 1.00 0.00 H new ATOM 0 HA ILE A 26 4.937 -1.984 4.291 1.00 0.00 H new ATOM 0 HB ILE A 26 4.837 0.748 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.811 -1.511 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.753 -0.536 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.689 -0.539 0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.238 -0.847 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.935 -2.057 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.292 0.432 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.629 1.542 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.689 0.552 1.204 1.00 0.00 H new ATOM 366 N HIS A 27 7.311 -2.162 3.808 1.00 0.00 N ATOM 367 CA HIS A 27 8.787 -2.367 3.661 1.00 0.00 C ATOM 368 C HIS A 27 9.177 -2.597 2.192 1.00 0.00 C ATOM 369 O HIS A 27 10.255 -2.216 1.779 1.00 0.00 O ATOM 370 CB HIS A 27 9.190 -3.576 4.523 1.00 0.00 C ATOM 371 CG HIS A 27 8.843 -3.273 5.986 1.00 0.00 C ATOM 372 ND1 HIS A 27 9.539 -2.520 6.774 1.00 0.00 N ATOM 373 CD2 HIS A 27 7.781 -3.694 6.771 1.00 0.00 C ATOM 374 CE1 HIS A 27 8.976 -2.469 7.939 1.00 0.00 C ATOM 375 NE2 HIS A 27 7.880 -3.184 7.983 1.00 0.00 N ATOM 0 H HIS A 27 6.754 -3.009 3.691 1.00 0.00 H new ATOM 0 HA HIS A 27 9.314 -1.473 3.994 1.00 0.00 H new ATOM 0 HB2 HIS A 27 8.666 -4.471 4.188 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.257 -3.774 4.421 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.987 -4.346 6.438 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.364 -1.905 8.774 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.248 -3.316 8.773 1.00 0.00 H new ATOM 383 N GLN A 28 8.286 -3.212 1.452 1.00 0.00 N ATOM 384 CA GLN A 28 8.542 -3.498 0.004 1.00 0.00 C ATOM 385 C GLN A 28 8.285 -2.214 -0.789 1.00 0.00 C ATOM 386 O GLN A 28 7.187 -1.920 -1.222 1.00 0.00 O ATOM 387 CB GLN A 28 7.599 -4.622 -0.467 1.00 0.00 C ATOM 388 CG GLN A 28 7.975 -5.957 0.201 1.00 0.00 C ATOM 389 CD GLN A 28 7.696 -5.924 1.713 1.00 0.00 C ATOM 390 OE1 GLN A 28 6.665 -5.466 2.166 1.00 0.00 O ATOM 391 NE2 GLN A 28 8.594 -6.399 2.531 1.00 0.00 N ATOM 0 H GLN A 28 7.380 -3.532 1.794 1.00 0.00 H new ATOM 0 HA GLN A 28 9.571 -3.823 -0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.568 -4.365 -0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.656 -4.722 -1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.409 -6.768 -0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.030 -6.168 0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.464 -6.786 2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.427 -6.383 3.537 1.00 0.00 H new ATOM 400 N LYS A 29 9.361 -1.493 -0.936 1.00 0.00 N ATOM 401 CA LYS A 29 9.370 -0.197 -1.663 1.00 0.00 C ATOM 402 C LYS A 29 9.678 -0.384 -3.156 1.00 0.00 C ATOM 403 O LYS A 29 10.672 0.099 -3.665 1.00 0.00 O ATOM 404 CB LYS A 29 10.415 0.685 -0.961 1.00 0.00 C ATOM 405 CG LYS A 29 9.919 1.023 0.462 1.00 0.00 C ATOM 406 CD LYS A 29 10.993 1.849 1.199 1.00 0.00 C ATOM 407 CE LYS A 29 10.540 2.109 2.647 1.00 0.00 C ATOM 408 NZ LYS A 29 10.372 0.816 3.371 1.00 0.00 N ATOM 0 H LYS A 29 10.272 -1.764 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 29 8.388 0.275 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.372 0.166 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.577 1.601 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.986 1.584 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.709 0.106 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.943 1.315 1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.156 2.795 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.275 2.729 3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.600 2.661 2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.851 0.870 4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.359 0.629 3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.789 0.047 2.809 1.00 0.00 H new ATOM 422 N GLY A 30 8.793 -1.094 -3.807 1.00 0.00 N ATOM 423 CA GLY A 30 8.944 -1.366 -5.269 1.00 0.00 C ATOM 424 C GLY A 30 7.611 -1.151 -5.981 1.00 0.00 C ATOM 425 O GLY A 30 7.127 -0.037 -6.047 1.00 0.00 O ATOM 0 H GLY A 30 7.961 -1.503 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.702 -0.708 -5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.287 -2.389 -5.423 1.00 0.00 H new ATOM 429 N GLY A 31 7.059 -2.226 -6.489 1.00 0.00 N ATOM 430 CA GLY A 31 5.748 -2.149 -7.216 1.00 0.00 C ATOM 431 C GLY A 31 4.612 -2.310 -6.205 1.00 0.00 C ATOM 432 O GLY A 31 4.868 -2.716 -5.090 1.00 0.00 O ATOM 0 H GLY A 31 7.462 -3.161 -6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.659 -1.194 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.691 -2.929 -7.975 1.00 0.00 H new ATOM 436 N TYR A 32 3.398 -1.984 -6.588 1.00 0.00 N ATOM 437 CA TYR A 32 2.263 -2.134 -5.618 1.00 0.00 C ATOM 438 C TYR A 32 0.854 -2.159 -6.211 1.00 0.00 C ATOM 439 O TYR A 32 0.461 -1.307 -6.983 1.00 0.00 O ATOM 440 CB TYR A 32 2.337 -1.006 -4.569 1.00 0.00 C ATOM 441 CG TYR A 32 2.690 0.338 -5.204 1.00 0.00 C ATOM 442 CD1 TYR A 32 1.736 1.170 -5.750 1.00 0.00 C ATOM 443 CD2 TYR A 32 4.011 0.723 -5.226 1.00 0.00 C ATOM 444 CE1 TYR A 32 2.108 2.371 -6.312 1.00 0.00 C ATOM 445 CE2 TYR A 32 4.379 1.916 -5.784 1.00 0.00 C ATOM 446 CZ TYR A 32 3.435 2.755 -6.333 1.00 0.00 C ATOM 447 OH TYR A 32 3.815 3.958 -6.890 1.00 0.00 O ATOM 0 H TYR A 32 3.147 -1.628 -7.510 1.00 0.00 H new ATOM 0 HA TYR A 32 2.406 -3.125 -5.187 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.379 -0.925 -4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.083 -1.259 -3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.696 0.880 -5.737 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.764 0.077 -4.799 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.356 3.018 -6.740 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.420 2.203 -5.794 1.00 0.00 H new ATOM 0 HH TYR A 32 4.782 4.076 -6.786 1.00 0.00 H new ATOM 457 N ASP A 33 0.139 -3.166 -5.794 1.00 0.00 N ATOM 458 CA ASP A 33 -1.263 -3.393 -6.236 1.00 0.00 C ATOM 459 C ASP A 33 -2.191 -3.173 -5.044 1.00 0.00 C ATOM 460 O ASP A 33 -1.748 -3.072 -3.917 1.00 0.00 O ATOM 461 CB ASP A 33 -1.380 -4.851 -6.775 1.00 0.00 C ATOM 462 CG ASP A 33 -2.835 -5.378 -6.726 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.600 -5.014 -7.602 1.00 0.00 O ATOM 464 OD2 ASP A 33 -3.099 -6.123 -5.795 1.00 0.00 O ATOM 0 H ASP A 33 0.485 -3.867 -5.139 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.544 -2.701 -7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.017 -4.887 -7.802 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.738 -5.507 -6.187 1.00 0.00 H new ATOM 469 N PHE A 34 -3.459 -3.099 -5.350 1.00 0.00 N ATOM 470 CA PHE A 34 -4.484 -2.900 -4.292 1.00 0.00 C ATOM 471 C PHE A 34 -5.763 -3.605 -4.730 1.00 0.00 C ATOM 472 O PHE A 34 -5.995 -3.819 -5.905 1.00 0.00 O ATOM 473 CB PHE A 34 -4.777 -1.390 -4.079 1.00 0.00 C ATOM 474 CG PHE A 34 -5.845 -1.255 -2.968 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.568 -1.675 -1.680 1.00 0.00 C ATOM 476 CD2 PHE A 34 -7.093 -0.725 -3.237 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.512 -1.572 -0.682 1.00 0.00 C ATOM 478 CE2 PHE A 34 -8.042 -0.618 -2.238 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.754 -1.043 -0.958 1.00 0.00 C ATOM 0 H PHE A 34 -3.829 -3.169 -6.298 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.115 -3.310 -3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.866 -0.863 -3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.133 -0.938 -5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.597 -2.090 -1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.329 -0.392 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.278 -1.906 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.013 -0.200 -2.461 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.496 -0.962 -0.178 1.00 0.00 H new ATOM 489 N SER A 35 -6.541 -3.948 -3.739 1.00 0.00 N ATOM 490 CA SER A 35 -7.841 -4.641 -3.958 1.00 0.00 C ATOM 491 C SER A 35 -8.838 -3.983 -3.019 1.00 0.00 C ATOM 492 O SER A 35 -8.472 -3.558 -1.942 1.00 0.00 O ATOM 493 CB SER A 35 -7.682 -6.133 -3.628 1.00 0.00 C ATOM 494 OG SER A 35 -6.688 -6.584 -4.539 1.00 0.00 O ATOM 0 H SER A 35 -6.321 -3.771 -2.759 1.00 0.00 H new ATOM 0 HA SER A 35 -8.179 -4.564 -4.992 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.372 -6.282 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.619 -6.673 -3.761 1.00 0.00 H new ATOM 0 HG SER A 35 -6.521 -7.539 -4.395 1.00 0.00 H new ATOM 500 N TYR A 36 -10.064 -3.924 -3.464 1.00 0.00 N ATOM 501 CA TYR A 36 -11.164 -3.303 -2.665 1.00 0.00 C ATOM 502 C TYR A 36 -12.403 -4.211 -2.693 1.00 0.00 C ATOM 503 O TYR A 36 -12.658 -4.852 -3.696 1.00 0.00 O ATOM 504 CB TYR A 36 -11.462 -1.945 -3.291 1.00 0.00 C ATOM 505 CG TYR A 36 -12.652 -1.282 -2.585 1.00 0.00 C ATOM 506 CD1 TYR A 36 -12.454 -0.554 -1.432 1.00 0.00 C ATOM 507 CD2 TYR A 36 -13.932 -1.410 -3.087 1.00 0.00 C ATOM 508 CE1 TYR A 36 -13.520 0.036 -0.788 1.00 0.00 C ATOM 509 CE2 TYR A 36 -14.998 -0.819 -2.443 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.799 -0.091 -1.288 1.00 0.00 C ATOM 511 OH TYR A 36 -15.863 0.499 -0.638 1.00 0.00 O ATOM 0 H TYR A 36 -10.358 -4.289 -4.370 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.876 -3.177 -1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.584 -1.303 -3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.681 -2.066 -4.352 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.457 -0.445 -1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -14.099 -1.977 -3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.352 0.603 0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.995 -0.926 -2.845 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.691 0.310 -1.127 1.00 0.00 H new ATOM 521 N THR A 37 -13.135 -4.239 -1.604 1.00 0.00 N ATOM 522 CA THR A 37 -14.366 -5.095 -1.539 1.00 0.00 C ATOM 523 C THR A 37 -15.161 -4.843 -0.250 1.00 0.00 C ATOM 524 O THR A 37 -16.376 -4.889 -0.263 1.00 0.00 O ATOM 525 CB THR A 37 -13.947 -6.604 -1.626 1.00 0.00 C ATOM 526 OG1 THR A 37 -15.163 -7.336 -1.529 1.00 0.00 O ATOM 527 CG2 THR A 37 -13.122 -7.065 -0.412 1.00 0.00 C ATOM 0 H THR A 37 -12.934 -3.707 -0.757 1.00 0.00 H new ATOM 0 HA THR A 37 -15.011 -4.837 -2.379 1.00 0.00 H new ATOM 0 HB THR A 37 -13.364 -6.751 -2.535 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.972 -8.296 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.861 -8.117 -0.528 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.211 -6.470 -0.344 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.709 -6.935 0.497 1.00 0.00 H new ATOM 535 N GLY A 38 -14.448 -4.586 0.819 1.00 0.00 N ATOM 536 CA GLY A 38 -15.100 -4.325 2.140 1.00 0.00 C ATOM 537 C GLY A 38 -14.479 -3.116 2.844 1.00 0.00 C ATOM 538 O GLY A 38 -15.031 -2.628 3.811 1.00 0.00 O ATOM 0 H GLY A 38 -13.429 -4.546 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.166 -4.153 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.004 -5.206 2.775 1.00 0.00 H new ATOM 542 N GLN A 39 -13.351 -2.670 2.344 1.00 0.00 N ATOM 543 CA GLN A 39 -12.664 -1.497 2.956 1.00 0.00 C ATOM 544 C GLN A 39 -11.732 -0.737 2.010 1.00 0.00 C ATOM 545 O GLN A 39 -11.088 -1.309 1.151 1.00 0.00 O ATOM 546 CB GLN A 39 -11.858 -1.969 4.187 1.00 0.00 C ATOM 547 CG GLN A 39 -10.972 -3.165 3.828 1.00 0.00 C ATOM 548 CD GLN A 39 -11.756 -4.476 3.937 1.00 0.00 C ATOM 549 OE1 GLN A 39 -12.196 -5.064 2.970 1.00 0.00 O ATOM 550 NE2 GLN A 39 -11.942 -4.955 5.131 1.00 0.00 N ATOM 0 H GLN A 39 -12.878 -3.072 1.535 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.453 -0.796 3.229 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.241 -1.151 4.559 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.541 -2.244 4.991 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.589 -3.048 2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.109 -3.196 4.493 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.572 -4.460 5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.458 -5.826 5.256 1.00 0.00 H new ATOM 559 N THR A 40 -11.714 0.552 2.231 1.00 0.00 N ATOM 560 CA THR A 40 -10.877 1.499 1.430 1.00 0.00 C ATOM 561 C THR A 40 -9.460 1.534 2.021 1.00 0.00 C ATOM 562 O THR A 40 -9.229 1.058 3.116 1.00 0.00 O ATOM 563 CB THR A 40 -11.521 2.907 1.493 1.00 0.00 C ATOM 564 OG1 THR A 40 -12.857 2.726 1.046 1.00 0.00 O ATOM 565 CG2 THR A 40 -10.930 3.889 0.461 1.00 0.00 C ATOM 0 H THR A 40 -12.265 1.004 2.961 1.00 0.00 H new ATOM 0 HA THR A 40 -10.820 1.176 0.390 1.00 0.00 H new ATOM 0 HB THR A 40 -11.382 3.300 2.500 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.327 3.586 1.062 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.423 4.857 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.861 4.007 0.641 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.088 3.499 -0.544 1.00 0.00 H new ATOM 573 N ALA A 41 -8.560 2.104 1.263 1.00 0.00 N ATOM 574 CA ALA A 41 -7.135 2.219 1.697 1.00 0.00 C ATOM 575 C ALA A 41 -6.590 3.609 1.357 1.00 0.00 C ATOM 576 O ALA A 41 -7.107 4.282 0.486 1.00 0.00 O ATOM 577 CB ALA A 41 -6.317 1.157 0.982 1.00 0.00 C ATOM 0 H ALA A 41 -8.756 2.502 0.345 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.070 2.074 2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.274 1.231 1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.701 0.169 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.388 1.307 -0.095 1.00 0.00 H new ATOM 583 N ALA A 42 -5.555 3.990 2.064 1.00 0.00 N ATOM 584 CA ALA A 42 -4.928 5.329 1.831 1.00 0.00 C ATOM 585 C ALA A 42 -3.457 5.353 2.256 1.00 0.00 C ATOM 586 O ALA A 42 -3.117 4.921 3.337 1.00 0.00 O ATOM 587 CB ALA A 42 -5.708 6.386 2.623 1.00 0.00 C ATOM 0 H ALA A 42 -5.116 3.430 2.795 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.965 5.543 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.260 7.366 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.745 6.401 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.674 6.143 3.685 1.00 0.00 H new ATOM 593 N LEU A 43 -2.633 5.867 1.378 1.00 0.00 N ATOM 594 CA LEU A 43 -1.165 5.963 1.649 1.00 0.00 C ATOM 595 C LEU A 43 -0.805 7.308 2.261 1.00 0.00 C ATOM 596 O LEU A 43 -1.568 8.250 2.208 1.00 0.00 O ATOM 597 CB LEU A 43 -0.309 5.866 0.359 1.00 0.00 C ATOM 598 CG LEU A 43 0.150 4.461 -0.048 1.00 0.00 C ATOM 599 CD1 LEU A 43 0.977 3.782 1.064 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.027 3.596 -0.385 1.00 0.00 C ATOM 0 H LEU A 43 -2.920 6.230 0.469 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.953 5.130 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.883 6.290 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.575 6.491 0.487 1.00 0.00 H new ATOM 0 HG LEU A 43 0.784 4.577 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.282 2.789 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.862 4.382 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.372 3.695 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.679 2.603 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.680 3.515 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.579 4.040 -1.213 1.00 0.00 H new ATOM 612 N TYR A 44 0.375 7.307 2.818 1.00 0.00 N ATOM 613 CA TYR A 44 0.976 8.490 3.480 1.00 0.00 C ATOM 614 C TYR A 44 2.462 8.213 3.739 1.00 0.00 C ATOM 615 O TYR A 44 2.847 7.152 4.193 1.00 0.00 O ATOM 616 CB TYR A 44 0.205 8.762 4.782 1.00 0.00 C ATOM 617 CG TYR A 44 -0.198 7.493 5.537 1.00 0.00 C ATOM 618 CD1 TYR A 44 0.645 6.890 6.434 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.448 6.947 5.323 1.00 0.00 C ATOM 620 CE1 TYR A 44 0.240 5.757 7.108 1.00 0.00 C ATOM 621 CE2 TYR A 44 -1.843 5.820 5.997 1.00 0.00 C ATOM 622 CZ TYR A 44 -0.998 5.215 6.899 1.00 0.00 C ATOM 623 OH TYR A 44 -1.367 4.088 7.600 1.00 0.00 O ATOM 0 H TYR A 44 0.976 6.483 2.838 1.00 0.00 H new ATOM 0 HA TYR A 44 0.907 9.377 2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.819 9.382 5.435 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.692 9.336 4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.627 7.302 6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.121 7.412 4.618 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.912 5.290 7.813 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.824 5.404 5.819 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.752 3.954 8.351 1.00 0.00 H new ATOM 633 N ASN A 45 3.242 9.214 3.421 1.00 0.00 N ATOM 634 CA ASN A 45 4.730 9.166 3.583 1.00 0.00 C ATOM 635 C ASN A 45 5.230 9.103 5.035 1.00 0.00 C ATOM 636 O ASN A 45 6.414 9.272 5.256 1.00 0.00 O ATOM 637 CB ASN A 45 5.337 10.413 2.903 1.00 0.00 C ATOM 638 CG ASN A 45 5.043 10.458 1.406 1.00 0.00 C ATOM 639 OD1 ASN A 45 3.808 10.566 1.022 1.00 0.00 O flip ATOM 640 ND2 ASN A 45 5.932 10.397 0.582 1.00 0.00 N flip ATOM 0 H ASN A 45 2.897 10.096 3.042 1.00 0.00 H new ATOM 0 HA ASN A 45 5.052 8.233 3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.940 11.311 3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.416 10.420 3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.903 10.312 0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.709 10.431 -0.413 1.00 0.00 H new ATOM 647 N GLN A 46 4.353 8.865 5.983 1.00 0.00 N ATOM 648 CA GLN A 46 4.808 8.804 7.409 1.00 0.00 C ATOM 649 C GLN A 46 4.288 7.576 8.161 1.00 0.00 C ATOM 650 O GLN A 46 3.101 7.443 8.390 1.00 0.00 O ATOM 651 CB GLN A 46 4.328 10.057 8.161 1.00 0.00 C ATOM 652 CG GLN A 46 4.617 11.368 7.393 1.00 0.00 C ATOM 653 CD GLN A 46 6.100 11.595 7.105 1.00 0.00 C ATOM 654 OE1 GLN A 46 6.984 11.056 7.743 1.00 0.00 O ATOM 655 NE2 GLN A 46 6.397 12.407 6.132 1.00 0.00 N ATOM 0 H GLN A 46 3.356 8.712 5.834 1.00 0.00 H new ATOM 0 HA GLN A 46 5.896 8.743 7.377 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.256 9.977 8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.814 10.098 9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.070 11.355 6.450 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.235 12.209 7.971 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.653 12.858 5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.373 12.593 5.903 1.00 0.00 H new ATOM 664 N ALA A 47 5.215 6.720 8.515 1.00 0.00 N ATOM 665 CA ALA A 47 4.905 5.459 9.270 1.00 0.00 C ATOM 666 C ALA A 47 3.842 5.677 10.371 1.00 0.00 C ATOM 667 O ALA A 47 3.763 6.740 10.962 1.00 0.00 O ATOM 668 CB ALA A 47 6.198 4.943 9.910 1.00 0.00 C ATOM 0 H ALA A 47 6.206 6.845 8.306 1.00 0.00 H new ATOM 0 HA ALA A 47 4.497 4.735 8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.990 4.027 10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.933 4.738 9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.592 5.696 10.592 1.00 0.00 H new ATOM 674 N GLY A 48 3.054 4.656 10.603 1.00 0.00 N ATOM 675 CA GLY A 48 1.978 4.724 11.644 1.00 0.00 C ATOM 676 C GLY A 48 1.053 5.937 11.463 1.00 0.00 C ATOM 677 O GLY A 48 0.738 6.614 12.423 1.00 0.00 O ATOM 0 H GLY A 48 3.111 3.765 10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.384 3.811 11.607 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.436 4.766 12.632 1.00 0.00 H new ATOM 681 N CYS A 49 0.657 6.162 10.232 1.00 0.00 N ATOM 682 CA CYS A 49 -0.250 7.304 9.863 1.00 0.00 C ATOM 683 C CYS A 49 0.086 8.630 10.564 1.00 0.00 C ATOM 684 O CYS A 49 -0.792 9.394 10.921 1.00 0.00 O ATOM 685 CB CYS A 49 -1.706 6.861 10.174 1.00 0.00 C ATOM 686 SG CYS A 49 -2.044 6.078 11.769 1.00 0.00 S ATOM 0 H CYS A 49 0.933 5.582 9.440 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.114 7.518 8.803 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.345 7.740 10.094 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.017 6.169 9.392 1.00 0.00 H new ATOM 691 N SER A 50 1.365 8.861 10.733 1.00 0.00 N ATOM 692 CA SER A 50 1.831 10.118 11.400 1.00 0.00 C ATOM 693 C SER A 50 2.176 11.176 10.334 1.00 0.00 C ATOM 694 O SER A 50 3.172 11.870 10.430 1.00 0.00 O ATOM 695 CB SER A 50 3.063 9.763 12.260 1.00 0.00 C ATOM 696 OG SER A 50 2.597 8.750 13.142 1.00 0.00 O ATOM 0 H SER A 50 2.110 8.230 10.436 1.00 0.00 H new ATOM 0 HA SER A 50 1.052 10.538 12.036 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.888 9.405 11.644 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.428 10.631 12.809 1.00 0.00 H new ATOM 0 HG SER A 50 2.667 7.877 12.703 1.00 0.00 H new ATOM 702 N GLY A 51 1.321 11.260 9.344 1.00 0.00 N ATOM 703 CA GLY A 51 1.517 12.239 8.224 1.00 0.00 C ATOM 704 C GLY A 51 0.231 12.533 7.447 1.00 0.00 C ATOM 705 O GLY A 51 -0.861 12.234 7.892 1.00 0.00 O ATOM 0 H GLY A 51 0.483 10.684 9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.910 13.171 8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.268 11.849 7.537 1.00 0.00 H new ATOM 709 N VAL A 52 0.432 13.117 6.289 1.00 0.00 N ATOM 710 CA VAL A 52 -0.698 13.485 5.374 1.00 0.00 C ATOM 711 C VAL A 52 -0.833 12.370 4.324 1.00 0.00 C ATOM 712 O VAL A 52 0.137 11.695 4.034 1.00 0.00 O ATOM 713 CB VAL A 52 -0.369 14.858 4.705 1.00 0.00 C ATOM 714 CG1 VAL A 52 0.912 14.765 3.839 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.545 15.318 3.812 1.00 0.00 C ATOM 0 H VAL A 52 1.356 13.360 5.931 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.640 13.584 5.913 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.207 15.582 5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.116 15.735 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.754 14.473 4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.768 14.022 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.300 16.276 3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.722 14.577 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.443 15.426 4.420 1.00 0.00 H new ATOM 725 N ALA A 53 -2.019 12.207 3.789 1.00 0.00 N ATOM 726 CA ALA A 53 -2.236 11.143 2.759 1.00 0.00 C ATOM 727 C ALA A 53 -1.974 11.643 1.336 1.00 0.00 C ATOM 728 O ALA A 53 -2.263 12.777 1.006 1.00 0.00 O ATOM 729 CB ALA A 53 -3.677 10.631 2.854 1.00 0.00 C ATOM 0 H ALA A 53 -2.843 12.762 4.020 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.525 10.342 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.838 9.856 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.851 10.217 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.368 11.455 2.678 1.00 0.00 H new ATOM 735 N HIS A 54 -1.428 10.753 0.545 1.00 0.00 N ATOM 736 CA HIS A 54 -1.090 11.041 -0.874 1.00 0.00 C ATOM 737 C HIS A 54 -1.941 10.255 -1.882 1.00 0.00 C ATOM 738 O HIS A 54 -2.522 10.855 -2.767 1.00 0.00 O ATOM 739 CB HIS A 54 0.376 10.705 -1.065 1.00 0.00 C ATOM 740 CG HIS A 54 1.266 11.734 -0.366 1.00 0.00 C ATOM 741 ND1 HIS A 54 2.133 12.482 -0.959 1.00 0.00 N ATOM 742 CD2 HIS A 54 1.359 12.092 0.966 1.00 0.00 C ATOM 743 CE1 HIS A 54 2.721 13.242 -0.091 1.00 0.00 C ATOM 744 NE2 HIS A 54 2.270 13.033 1.121 1.00 0.00 N ATOM 0 H HIS A 54 -1.196 9.805 0.841 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.300 12.093 -1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.580 9.711 -0.667 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.611 10.677 -2.129 1.00 0.00 H new ATOM 0 HD1 HIS A 54 2.326 12.476 -1.960 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.771 11.663 1.764 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.489 13.960 -0.336 1.00 0.00 H new ATOM 752 N THR A 55 -1.994 8.951 -1.729 1.00 0.00 N ATOM 753 CA THR A 55 -2.796 8.110 -2.680 1.00 0.00 C ATOM 754 C THR A 55 -3.876 7.256 -2.002 1.00 0.00 C ATOM 755 O THR A 55 -3.579 6.265 -1.363 1.00 0.00 O ATOM 756 CB THR A 55 -1.808 7.208 -3.451 1.00 0.00 C ATOM 757 OG1 THR A 55 -0.932 8.130 -4.084 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.491 6.479 -4.623 1.00 0.00 C ATOM 0 H THR A 55 -1.519 8.434 -0.990 1.00 0.00 H new ATOM 0 HA THR A 55 -3.339 8.781 -3.345 1.00 0.00 H new ATOM 0 HB THR A 55 -1.361 6.480 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.601 7.744 -4.922 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.761 5.855 -5.139 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.298 5.853 -4.242 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.898 7.212 -5.319 1.00 0.00 H new ATOM 766 N ARG A 56 -5.104 7.680 -2.179 1.00 0.00 N ATOM 767 CA ARG A 56 -6.270 6.956 -1.587 1.00 0.00 C ATOM 768 C ARG A 56 -6.870 6.017 -2.642 1.00 0.00 C ATOM 769 O ARG A 56 -7.345 6.469 -3.667 1.00 0.00 O ATOM 770 CB ARG A 56 -7.345 7.960 -1.144 1.00 0.00 C ATOM 771 CG ARG A 56 -6.784 8.944 -0.096 1.00 0.00 C ATOM 772 CD ARG A 56 -7.915 9.907 0.311 1.00 0.00 C ATOM 773 NE ARG A 56 -7.399 10.884 1.321 1.00 0.00 N ATOM 774 CZ ARG A 56 -6.678 11.923 0.974 1.00 0.00 C ATOM 775 NH1 ARG A 56 -6.372 12.140 -0.277 1.00 0.00 N ATOM 776 NH2 ARG A 56 -6.280 12.730 1.919 1.00 0.00 N ATOM 0 H ARG A 56 -5.350 8.511 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.932 6.384 -0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.709 8.514 -2.009 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.197 7.425 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.414 8.402 0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.941 9.499 -0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.289 10.437 -0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.753 9.347 0.726 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.614 10.737 2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.695 11.497 -1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.810 12.953 -0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.531 12.542 2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.717 13.549 1.687 1.00 0.00 H new ATOM 790 N PHE A 57 -6.831 4.739 -2.361 1.00 0.00 N ATOM 791 CA PHE A 57 -7.388 3.735 -3.319 1.00 0.00 C ATOM 792 C PHE A 57 -8.859 3.443 -2.997 1.00 0.00 C ATOM 793 O PHE A 57 -9.165 2.802 -2.009 1.00 0.00 O ATOM 794 CB PHE A 57 -6.599 2.419 -3.232 1.00 0.00 C ATOM 795 CG PHE A 57 -5.125 2.604 -3.616 1.00 0.00 C ATOM 796 CD1 PHE A 57 -4.772 3.070 -4.872 1.00 0.00 C ATOM 797 CD2 PHE A 57 -4.128 2.295 -2.711 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.446 3.225 -5.215 1.00 0.00 C ATOM 799 CE2 PHE A 57 -2.804 2.451 -3.055 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.459 2.914 -4.304 1.00 0.00 C ATOM 0 H PHE A 57 -6.436 4.346 -1.507 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.307 4.150 -4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.662 2.025 -2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.055 1.679 -3.890 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.542 3.314 -5.589 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.388 1.929 -1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.181 3.590 -6.196 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.032 2.209 -2.340 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.419 3.033 -4.570 1.00 0.00 H new ATOM 810 N GLY A 58 -9.719 3.930 -3.855 1.00 0.00 N ATOM 811 CA GLY A 58 -11.190 3.725 -3.676 1.00 0.00 C ATOM 812 C GLY A 58 -11.578 2.319 -4.158 1.00 0.00 C ATOM 813 O GLY A 58 -12.513 1.725 -3.657 1.00 0.00 O ATOM 0 H GLY A 58 -9.462 4.468 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.459 3.848 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.743 4.478 -4.237 1.00 0.00 H new ATOM 817 N SER A 59 -10.829 1.844 -5.122 1.00 0.00 N ATOM 818 CA SER A 59 -11.061 0.491 -5.712 1.00 0.00 C ATOM 819 C SER A 59 -9.711 -0.127 -6.119 1.00 0.00 C ATOM 820 O SER A 59 -8.745 0.594 -6.281 1.00 0.00 O ATOM 821 CB SER A 59 -11.974 0.640 -6.944 1.00 0.00 C ATOM 822 OG SER A 59 -12.175 -0.687 -7.415 1.00 0.00 O ATOM 0 H SER A 59 -10.046 2.352 -5.534 1.00 0.00 H new ATOM 0 HA SER A 59 -11.540 -0.163 -4.983 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.920 1.113 -6.680 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.509 1.264 -7.707 1.00 0.00 H new ATOM 0 HG SER A 59 -12.754 -0.669 -8.205 1.00 0.00 H new ATOM 828 N SER A 60 -9.691 -1.433 -6.264 1.00 0.00 N ATOM 829 CA SER A 60 -8.457 -2.182 -6.663 1.00 0.00 C ATOM 830 C SER A 60 -7.579 -1.417 -7.673 1.00 0.00 C ATOM 831 O SER A 60 -8.046 -1.020 -8.723 1.00 0.00 O ATOM 832 CB SER A 60 -8.893 -3.537 -7.261 1.00 0.00 C ATOM 833 OG SER A 60 -9.715 -3.200 -8.372 1.00 0.00 O ATOM 0 H SER A 60 -10.507 -2.027 -6.117 1.00 0.00 H new ATOM 0 HA SER A 60 -7.842 -2.318 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.031 -4.127 -7.572 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.441 -4.133 -6.531 1.00 0.00 H new ATOM 0 HG SER A 60 -9.400 -2.362 -8.770 1.00 0.00 H new ATOM 839 N ALA A 61 -6.334 -1.240 -7.309 1.00 0.00 N ATOM 840 CA ALA A 61 -5.358 -0.513 -8.186 1.00 0.00 C ATOM 841 C ALA A 61 -4.035 -1.289 -8.284 1.00 0.00 C ATOM 842 O ALA A 61 -3.220 -1.239 -7.384 1.00 0.00 O ATOM 843 CB ALA A 61 -5.120 0.884 -7.589 1.00 0.00 C ATOM 0 H ALA A 61 -5.944 -1.573 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.763 -0.423 -9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.412 1.430 -8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.064 1.428 -7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.715 0.785 -6.582 1.00 0.00 H new ATOM 849 N ARG A 62 -3.878 -1.980 -9.386 1.00 0.00 N ATOM 850 CA ARG A 62 -2.649 -2.800 -9.652 1.00 0.00 C ATOM 851 C ARG A 62 -1.468 -2.002 -10.253 1.00 0.00 C ATOM 852 O ARG A 62 -1.091 -2.189 -11.394 1.00 0.00 O ATOM 853 CB ARG A 62 -3.059 -3.968 -10.596 1.00 0.00 C ATOM 854 CG ARG A 62 -3.762 -3.426 -11.854 1.00 0.00 C ATOM 855 CD ARG A 62 -3.960 -4.572 -12.859 1.00 0.00 C ATOM 856 NE ARG A 62 -4.573 -4.004 -14.100 1.00 0.00 N ATOM 857 CZ ARG A 62 -4.624 -4.688 -15.215 1.00 0.00 C ATOM 858 NH1 ARG A 62 -4.140 -5.902 -15.280 1.00 0.00 N ATOM 859 NH2 ARG A 62 -5.170 -4.120 -16.255 1.00 0.00 N ATOM 0 H ARG A 62 -4.570 -2.012 -10.135 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.276 -3.165 -8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.175 -4.538 -10.883 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.723 -4.653 -10.069 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.725 -2.990 -11.587 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.166 -2.632 -12.304 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.005 -5.045 -13.089 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.604 -5.342 -12.435 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.961 -3.061 -14.077 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.716 -6.327 -14.455 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.187 -6.423 -16.155 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.540 -3.172 -16.183 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.227 -4.624 -17.140 1.00 0.00 H new ATOM 873 N ALA A 63 -0.906 -1.128 -9.455 1.00 0.00 N ATOM 874 CA ALA A 63 0.250 -0.298 -9.933 1.00 0.00 C ATOM 875 C ALA A 63 1.586 -1.053 -9.780 1.00 0.00 C ATOM 876 O ALA A 63 1.650 -2.089 -9.144 1.00 0.00 O ATOM 877 CB ALA A 63 0.280 1.012 -9.124 1.00 0.00 C ATOM 0 H ALA A 63 -1.196 -0.951 -8.493 1.00 0.00 H new ATOM 0 HA ALA A 63 0.120 -0.082 -10.993 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.115 1.627 -9.459 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.654 1.554 -9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.400 0.783 -8.065 1.00 0.00 H new ATOM 883 N CYS A 64 2.620 -0.510 -10.373 1.00 0.00 N ATOM 884 CA CYS A 64 3.973 -1.153 -10.297 1.00 0.00 C ATOM 885 C CYS A 64 5.072 -0.077 -10.315 1.00 0.00 C ATOM 886 O CYS A 64 6.241 -0.378 -10.456 1.00 0.00 O ATOM 887 CB CYS A 64 4.101 -2.116 -11.498 1.00 0.00 C ATOM 888 SG CYS A 64 2.658 -3.188 -11.738 1.00 0.00 S ATOM 0 H CYS A 64 2.587 0.356 -10.910 1.00 0.00 H new ATOM 0 HA CYS A 64 4.089 -1.711 -9.368 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.262 -1.532 -12.404 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.985 -2.739 -11.359 1.00 0.00 H new ATOM 893 N ASN A 65 4.662 1.157 -10.168 1.00 0.00 N ATOM 894 CA ASN A 65 5.615 2.308 -10.163 1.00 0.00 C ATOM 895 C ASN A 65 6.486 2.210 -8.888 1.00 0.00 C ATOM 896 O ASN A 65 6.125 1.476 -7.990 1.00 0.00 O ATOM 897 CB ASN A 65 4.779 3.592 -10.175 1.00 0.00 C ATOM 898 CG ASN A 65 3.928 3.630 -11.446 1.00 0.00 C ATOM 899 OD1 ASN A 65 2.764 3.044 -11.427 1.00 0.00 O flip ATOM 900 ND2 ASN A 65 4.308 4.187 -12.456 1.00 0.00 N flip ATOM 0 H ASN A 65 3.684 1.421 -10.049 1.00 0.00 H new ATOM 0 HA ASN A 65 6.276 2.303 -11.029 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.139 3.631 -9.294 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.431 4.464 -10.134 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.219 4.646 -12.473 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.717 4.196 -13.287 1.00 0.00 H new ATOM 907 N PRO A 66 7.591 2.921 -8.819 1.00 0.00 N ATOM 908 CA PRO A 66 8.401 3.007 -7.566 1.00 0.00 C ATOM 909 C PRO A 66 7.544 3.539 -6.404 1.00 0.00 C ATOM 910 O PRO A 66 6.658 4.346 -6.611 1.00 0.00 O ATOM 911 CB PRO A 66 9.580 3.929 -7.885 1.00 0.00 C ATOM 912 CG PRO A 66 9.496 4.281 -9.382 1.00 0.00 C ATOM 913 CD PRO A 66 8.179 3.711 -9.942 1.00 0.00 C ATOM 0 HA PRO A 66 8.762 2.029 -7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.538 4.832 -7.275 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.525 3.436 -7.659 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.531 5.362 -9.520 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.348 3.864 -9.918 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.507 4.509 -10.258 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.360 3.083 -10.814 1.00 0.00 H new ATOM 921 N PHE A 67 7.843 3.066 -5.218 1.00 0.00 N ATOM 922 CA PHE A 67 7.088 3.497 -3.994 1.00 0.00 C ATOM 923 C PHE A 67 7.235 5.009 -3.797 1.00 0.00 C ATOM 924 O PHE A 67 8.124 5.626 -4.354 1.00 0.00 O ATOM 925 CB PHE A 67 7.656 2.764 -2.771 1.00 0.00 C ATOM 926 CG PHE A 67 6.619 2.609 -1.647 1.00 0.00 C ATOM 927 CD1 PHE A 67 5.416 1.962 -1.869 1.00 0.00 C ATOM 928 CD2 PHE A 67 6.888 3.112 -0.388 1.00 0.00 C ATOM 929 CE1 PHE A 67 4.500 1.824 -0.848 1.00 0.00 C ATOM 930 CE2 PHE A 67 5.972 2.972 0.629 1.00 0.00 C ATOM 931 CZ PHE A 67 4.781 2.331 0.401 1.00 0.00 C ATOM 0 H PHE A 67 8.587 2.391 -5.042 1.00 0.00 H new ATOM 0 HA PHE A 67 6.032 3.255 -4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.010 1.778 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.520 3.310 -2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.194 1.563 -2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.824 3.618 -0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.563 1.319 -1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.191 3.368 1.610 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.064 2.224 1.201 1.00 0.00 H new ATOM 941 N GLY A 68 6.353 5.553 -3.004 1.00 0.00 N ATOM 942 CA GLY A 68 6.393 7.018 -2.733 1.00 0.00 C ATOM 943 C GLY A 68 5.798 7.337 -1.370 1.00 0.00 C ATOM 944 O GLY A 68 5.431 8.472 -1.131 1.00 0.00 O ATOM 0 H GLY A 68 5.605 5.045 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.423 7.371 -2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.841 7.550 -3.508 1.00 0.00 H new ATOM 948 N TRP A 69 5.708 6.343 -0.516 1.00 0.00 N ATOM 949 CA TRP A 69 5.132 6.581 0.851 1.00 0.00 C ATOM 950 C TRP A 69 5.980 5.883 1.922 1.00 0.00 C ATOM 951 O TRP A 69 7.153 5.643 1.709 1.00 0.00 O ATOM 952 CB TRP A 69 3.693 6.045 0.836 1.00 0.00 C ATOM 953 CG TRP A 69 2.987 6.666 -0.373 1.00 0.00 C ATOM 954 CD1 TRP A 69 2.481 7.929 -0.434 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.780 6.059 -1.574 1.00 0.00 C ATOM 956 NE1 TRP A 69 2.003 8.024 -1.651 1.00 0.00 N ATOM 957 CE2 TRP A 69 2.132 6.960 -2.412 1.00 0.00 C ATOM 958 CE3 TRP A 69 3.093 4.785 -2.039 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.800 6.591 -3.710 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.761 4.412 -3.338 1.00 0.00 C ATOM 961 CH2 TRP A 69 2.114 5.317 -4.175 1.00 0.00 C ATOM 0 H TRP A 69 6.005 5.385 -0.702 1.00 0.00 H new ATOM 0 HA TRP A 69 5.133 7.643 1.095 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.689 4.957 0.766 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.176 6.307 1.759 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.475 8.680 0.342 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.556 8.876 -1.989 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.595 4.083 -1.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.298 7.293 -4.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.005 3.423 -3.696 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.856 5.031 -5.184 1.00 0.00 H new ATOM 972 N LYS A 70 5.370 5.583 3.045 1.00 0.00 N ATOM 973 CA LYS A 70 6.085 4.899 4.162 1.00 0.00 C ATOM 974 C LYS A 70 5.135 3.876 4.802 1.00 0.00 C ATOM 975 O LYS A 70 5.559 2.841 5.281 1.00 0.00 O ATOM 976 CB LYS A 70 6.514 5.945 5.220 1.00 0.00 C ATOM 977 CG LYS A 70 7.479 5.271 6.211 1.00 0.00 C ATOM 978 CD LYS A 70 8.306 6.321 7.001 1.00 0.00 C ATOM 979 CE LYS A 70 9.290 7.075 6.076 1.00 0.00 C ATOM 980 NZ LYS A 70 10.193 6.114 5.381 1.00 0.00 N ATOM 0 H LYS A 70 4.389 5.789 3.234 1.00 0.00 H new ATOM 0 HA LYS A 70 6.973 4.393 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.998 6.794 4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.641 6.332 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.914 4.652 6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.153 4.607 5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.633 7.034 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.860 5.825 7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.734 7.657 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.880 7.780 6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.162 6.491 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.179 5.202 5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.868 5.978 4.402 1.00 0.00 H new ATOM 994 N SER A 71 3.871 4.218 4.781 1.00 0.00 N ATOM 995 CA SER A 71 2.809 3.344 5.366 1.00 0.00 C ATOM 996 C SER A 71 1.430 3.563 4.728 1.00 0.00 C ATOM 997 O SER A 71 1.178 4.565 4.085 1.00 0.00 O ATOM 998 CB SER A 71 2.760 3.631 6.866 1.00 0.00 C ATOM 999 OG SER A 71 2.907 5.042 6.925 1.00 0.00 O ATOM 0 H SER A 71 3.524 5.086 4.373 1.00 0.00 H new ATOM 0 HA SER A 71 3.059 2.302 5.167 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.819 3.304 7.309 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.560 3.119 7.401 1.00 0.00 H new ATOM 0 HG SER A 71 2.129 5.470 6.510 1.00 0.00 H new ATOM 1005 N ILE A 72 0.591 2.581 4.958 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.812 2.561 4.437 1.00 0.00 C ATOM 1007 C ILE A 72 -1.831 2.261 5.542 1.00 0.00 C ATOM 1008 O ILE A 72 -1.572 1.477 6.434 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.900 1.484 3.324 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.342 1.423 2.746 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.524 0.085 3.919 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.338 0.606 1.467 1.00 0.00 C ATOM 0 H ILE A 72 0.834 1.758 5.510 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.055 3.547 4.042 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.206 1.746 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.019 0.976 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.709 2.430 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.586 -0.672 3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.492 0.118 4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.216 -0.167 4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.348 0.562 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.674 1.072 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.989 -0.404 1.682 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.963 2.905 5.432 1.00 0.00 N ATOM 1025 CA PHE A 73 -4.066 2.716 6.428 1.00 0.00 C ATOM 1026 C PHE A 73 -5.245 2.044 5.724 1.00 0.00 C ATOM 1027 O PHE A 73 -5.634 2.469 4.654 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.536 4.073 6.993 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.733 3.847 7.935 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.529 3.385 9.221 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -7.023 4.099 7.506 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.598 3.178 10.065 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -8.093 3.894 8.351 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.880 3.433 9.632 1.00 0.00 C ATOM 0 H PHE A 73 -3.176 3.565 4.684 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.698 2.103 7.251 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.721 4.557 7.532 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.820 4.740 6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.526 3.185 9.567 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.194 4.459 6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.430 2.815 11.068 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.098 4.095 8.009 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.717 3.272 10.295 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.772 1.018 6.346 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.935 0.284 5.750 1.00 0.00 C ATOM 1046 C ILE A 74 -7.942 -0.034 6.865 1.00 0.00 C ATOM 1047 O ILE A 74 -7.563 -0.266 7.996 1.00 0.00 O ATOM 1048 CB ILE A 74 -6.435 -1.039 5.077 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -5.373 -0.680 3.992 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -7.641 -1.768 4.422 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.919 -1.918 3.191 1.00 0.00 C ATOM 0 H ILE A 74 -5.447 0.655 7.242 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.416 0.900 4.990 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.986 -1.696 5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.789 0.060 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.508 -0.221 4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.298 -2.690 3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.382 -2.004 5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.091 -1.122 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.180 -1.619 2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.477 -2.648 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.779 -2.362 2.690 1.00 0.00 H new ATOM 1063 N GLN A 75 -9.199 -0.026 6.501 1.00 0.00 N ATOM 1064 CA GLN A 75 -10.297 -0.318 7.475 1.00 0.00 C ATOM 1065 C GLN A 75 -10.617 -1.817 7.566 1.00 0.00 C ATOM 1066 O GLN A 75 -10.156 -2.606 6.765 1.00 0.00 O ATOM 1067 CB GLN A 75 -11.520 0.473 7.032 1.00 0.00 C ATOM 1068 CG GLN A 75 -11.204 1.969 7.187 1.00 0.00 C ATOM 1069 CD GLN A 75 -11.330 2.422 8.653 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -10.632 1.964 9.535 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -12.216 3.330 8.954 1.00 0.00 N ATOM 0 H GLN A 75 -9.517 0.174 5.553 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.982 -0.022 8.475 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.768 0.242 5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.387 0.203 7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.194 2.168 6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.883 2.552 6.565 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.810 3.725 8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.315 3.646 9.919 1.00 0.00 H new ATOM 1080 N CYS A 76 -11.404 -2.166 8.551 1.00 0.00 N ATOM 1081 CA CYS A 76 -11.805 -3.590 8.764 1.00 0.00 C ATOM 1082 C CYS A 76 -12.931 -4.028 7.804 1.00 0.00 C ATOM 1083 O CYS A 76 -13.153 -5.228 7.748 1.00 0.00 O ATOM 1084 CB CYS A 76 -12.244 -3.716 10.227 1.00 0.00 C ATOM 1085 SG CYS A 76 -10.989 -3.499 11.516 1.00 0.00 S ATOM 1086 OXT CYS A 76 -13.508 -3.155 7.178 1.00 0.00 O ATOM 0 H CYS A 76 -11.793 -1.512 9.230 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.964 -4.250 8.550 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.033 -2.984 10.403 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.689 -4.702 10.358 1.00 0.00 H new TER 1091 CYS A 76