USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=20 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 46 GLN : amide:sc= -5.13! C(o=-8.4!,f=-6.7!) USER MOD Set 1.2: A 54 HIS : no HD1:sc= -3.22! K(o=-8.4!,f=-6.7) USER MOD Set 2.1: A 1 SER N :NH3+ -176:sc= -0.312 (180deg=-0.423) USER MOD Set 2.2: A 39 GLN : amide:sc= -1.7 K(o=-2,f=-6!) USER MOD Set 3.1: A 18 TYR OH : rot 150:sc= 0.589 USER MOD Set 3.2: A 28 GLN : amide:sc= -2.57 K(o=-2,f=-4.8!) USER MOD Single : A 1 SER OG : rot 148:sc= 0.476 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.621 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.63) USER MOD Single : A 13 ASN : amide:sc= -10.9! C(o=-11!,f=-17!) USER MOD Single : A 19 SER OG : rot 41:sc= 1.01 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 129:sc= 1.73 USER MOD Single : A 27 HIS : no HD1:sc= -0.193 K(o=-0.19,f=-0.88) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0304 (180deg=-0.245) USER MOD Single : A 32 TYR OH : rot 136:sc= -0.435 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 107:sc= 0.351 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 50 SER OG : rot 92:sc= 0.233 USER MOD Single : A 55 THR OG1 : rot 139:sc= 0.83 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0849 USER MOD Single : A 60 SER OG : rot 33:sc= 0.636 USER MOD Single : A 65 ASN : amide:sc= -2.51 K(o=-2.5,f=-0.27) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= -0.964 (180deg=-1.11!) USER MOD Single : A 71 SER OG : rot -112:sc= 0.455 USER MOD Single : A 75 GLN : amide:sc= -0.0734 K(o=-0.073,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.294 -4.911 2.715 1.00 0.00 N ATOM 2 CA SER A 1 -9.407 -4.689 1.538 1.00 0.00 C ATOM 3 C SER A 1 -7.954 -5.001 1.880 1.00 0.00 C ATOM 4 O SER A 1 -7.566 -4.981 3.033 1.00 0.00 O ATOM 5 CB SER A 1 -9.516 -3.233 1.071 1.00 0.00 C ATOM 6 OG SER A 1 -10.860 -3.135 0.621 1.00 0.00 O ATOM 0 H1 SER A 1 -11.284 -4.757 2.437 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.178 -5.886 3.058 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.039 -4.245 3.472 1.00 0.00 H new ATOM 0 HA SER A 1 -9.729 -5.359 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.311 -2.534 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.807 -3.012 0.273 1.00 0.00 H new ATOM 0 HG SER A 1 -11.194 -2.228 0.782 1.00 0.00 H new ATOM 11 N ALA A 2 -7.199 -5.277 0.844 1.00 0.00 N ATOM 12 CA ALA A 2 -5.754 -5.608 1.016 1.00 0.00 C ATOM 13 C ALA A 2 -4.841 -4.853 0.050 1.00 0.00 C ATOM 14 O ALA A 2 -5.220 -4.514 -1.055 1.00 0.00 O ATOM 15 CB ALA A 2 -5.572 -7.113 0.808 1.00 0.00 C ATOM 0 H ALA A 2 -7.528 -5.286 -0.122 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.467 -5.303 2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.520 -7.373 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.168 -7.656 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.898 -7.384 -0.196 1.00 0.00 H new ATOM 21 N PHE A 3 -3.649 -4.629 0.540 1.00 0.00 N ATOM 22 CA PHE A 3 -2.581 -3.914 -0.221 1.00 0.00 C ATOM 23 C PHE A 3 -1.534 -4.993 -0.529 1.00 0.00 C ATOM 24 O PHE A 3 -1.403 -5.952 0.206 1.00 0.00 O ATOM 25 CB PHE A 3 -2.008 -2.800 0.681 1.00 0.00 C ATOM 26 CG PHE A 3 -1.051 -1.848 -0.067 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.521 -1.062 -1.104 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.284 -1.744 0.287 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.686 -0.194 -1.773 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.117 -0.874 -0.382 1.00 0.00 C ATOM 31 CZ PHE A 3 0.635 -0.099 -1.410 1.00 0.00 C ATOM 0 H PHE A 3 -3.362 -4.925 1.473 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.929 -3.441 -1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.831 -2.222 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.478 -3.255 1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.559 -1.130 -1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.674 -2.349 1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.070 0.411 -2.581 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.156 -0.800 -0.097 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.293 0.582 -1.930 1.00 0.00 H new ATOM 41 N THR A 4 -0.820 -4.812 -1.606 1.00 0.00 N ATOM 42 CA THR A 4 0.232 -5.796 -2.012 1.00 0.00 C ATOM 43 C THR A 4 1.427 -5.011 -2.532 1.00 0.00 C ATOM 44 O THR A 4 1.255 -3.946 -3.089 1.00 0.00 O ATOM 45 CB THR A 4 -0.313 -6.694 -3.122 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.454 -7.348 -2.588 1.00 0.00 O ATOM 47 CG2 THR A 4 0.670 -7.818 -3.510 1.00 0.00 C ATOM 0 H THR A 4 -0.920 -4.014 -2.233 1.00 0.00 H new ATOM 0 HA THR A 4 0.523 -6.418 -1.166 1.00 0.00 H new ATOM 0 HB THR A 4 -0.508 -6.075 -3.998 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.841 -7.937 -3.268 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.233 -8.426 -4.302 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.604 -7.379 -3.862 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.869 -8.444 -2.640 1.00 0.00 H new ATOM 55 N VAL A 5 2.597 -5.561 -2.337 1.00 0.00 N ATOM 56 CA VAL A 5 3.844 -4.883 -2.804 1.00 0.00 C ATOM 57 C VAL A 5 4.989 -5.860 -3.063 1.00 0.00 C ATOM 58 O VAL A 5 5.050 -6.941 -2.509 1.00 0.00 O ATOM 59 CB VAL A 5 4.343 -3.845 -1.753 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.380 -2.662 -1.656 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.431 -4.508 -0.361 1.00 0.00 C ATOM 0 H VAL A 5 2.744 -6.457 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 5 3.575 -4.393 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 5 5.324 -3.492 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.750 -1.952 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.308 -2.171 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.395 -3.019 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.780 -3.777 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.446 -4.871 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.129 -5.344 -0.400 1.00 0.00 H new ATOM 71 N TRP A 6 5.859 -5.399 -3.925 1.00 0.00 N ATOM 72 CA TRP A 6 7.065 -6.159 -4.334 1.00 0.00 C ATOM 73 C TRP A 6 8.241 -5.202 -4.070 1.00 0.00 C ATOM 74 O TRP A 6 8.062 -4.000 -4.075 1.00 0.00 O ATOM 75 CB TRP A 6 6.967 -6.507 -5.821 1.00 0.00 C ATOM 76 CG TRP A 6 5.731 -7.361 -6.172 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.771 -8.698 -6.456 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.432 -6.943 -6.272 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.528 -9.020 -6.706 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.650 -8.045 -6.624 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.819 -5.702 -6.101 1.00 0.00 C ATOM 82 CZ2 TRP A 6 2.277 -7.911 -6.800 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.445 -5.565 -6.278 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.676 -6.671 -6.628 1.00 0.00 C ATOM 0 H TRP A 6 5.772 -4.488 -4.377 1.00 0.00 H new ATOM 0 HA TRP A 6 7.182 -7.097 -3.792 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.938 -5.585 -6.401 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.867 -7.044 -6.121 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.636 -9.344 -6.471 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.256 -9.972 -6.950 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.414 -4.842 -5.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.680 -8.769 -7.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.976 -4.601 -6.144 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.610 -6.565 -6.766 1.00 0.00 H new ATOM 95 N SER A 7 9.403 -5.762 -3.849 1.00 0.00 N ATOM 96 CA SER A 7 10.633 -4.948 -3.567 1.00 0.00 C ATOM 97 C SER A 7 11.345 -4.285 -4.767 1.00 0.00 C ATOM 98 O SER A 7 12.183 -3.432 -4.544 1.00 0.00 O ATOM 99 CB SER A 7 11.633 -5.856 -2.826 1.00 0.00 C ATOM 100 OG SER A 7 10.955 -6.221 -1.630 1.00 0.00 O ATOM 0 H SER A 7 9.558 -6.770 -3.851 1.00 0.00 H new ATOM 0 HA SER A 7 10.281 -4.098 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.891 -6.732 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.564 -5.331 -2.611 1.00 0.00 H new ATOM 0 HG SER A 7 11.529 -6.808 -1.095 1.00 0.00 H new ATOM 106 N GLY A 8 11.025 -4.661 -5.984 1.00 0.00 N ATOM 107 CA GLY A 8 11.698 -4.033 -7.174 1.00 0.00 C ATOM 108 C GLY A 8 11.911 -5.007 -8.351 1.00 0.00 C ATOM 109 O GLY A 8 12.162 -6.173 -8.119 1.00 0.00 O ATOM 0 H GLY A 8 10.330 -5.373 -6.207 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.099 -3.189 -7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.664 -3.633 -6.865 1.00 0.00 H new ATOM 113 N PRO A 9 11.821 -4.530 -9.579 1.00 0.00 N ATOM 114 CA PRO A 9 11.694 -3.086 -9.964 1.00 0.00 C ATOM 115 C PRO A 9 10.265 -2.595 -9.703 1.00 0.00 C ATOM 116 O PRO A 9 10.053 -1.606 -9.028 1.00 0.00 O ATOM 117 CB PRO A 9 12.074 -3.028 -11.440 1.00 0.00 C ATOM 118 CG PRO A 9 11.929 -4.461 -11.984 1.00 0.00 C ATOM 119 CD PRO A 9 11.837 -5.419 -10.779 1.00 0.00 C ATOM 0 HA PRO A 9 12.341 -2.432 -9.379 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.425 -2.340 -11.981 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.095 -2.667 -11.564 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.038 -4.544 -12.606 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.782 -4.719 -12.612 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.936 -6.031 -10.829 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.686 -6.103 -10.753 1.00 0.00 H new ATOM 127 N GLY A 10 9.337 -3.322 -10.266 1.00 0.00 N ATOM 128 CA GLY A 10 7.894 -3.003 -10.115 1.00 0.00 C ATOM 129 C GLY A 10 7.307 -4.166 -9.325 1.00 0.00 C ATOM 130 O GLY A 10 7.815 -4.516 -8.277 1.00 0.00 O ATOM 0 H GLY A 10 9.528 -4.144 -10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.753 -2.059 -9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.409 -2.903 -11.086 1.00 0.00 H new ATOM 134 N CYS A 11 6.261 -4.727 -9.865 1.00 0.00 N ATOM 135 CA CYS A 11 5.563 -5.877 -9.225 1.00 0.00 C ATOM 136 C CYS A 11 6.096 -7.162 -9.874 1.00 0.00 C ATOM 137 O CYS A 11 5.337 -7.942 -10.420 1.00 0.00 O ATOM 138 CB CYS A 11 4.068 -5.714 -9.476 1.00 0.00 C ATOM 139 SG CYS A 11 3.613 -5.558 -11.222 1.00 0.00 S ATOM 0 H CYS A 11 5.850 -4.427 -10.749 1.00 0.00 H new ATOM 0 HA CYS A 11 5.737 -5.921 -8.150 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.546 -6.572 -9.053 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.717 -4.831 -8.942 1.00 0.00 H new ATOM 144 N ASN A 12 7.391 -7.351 -9.799 1.00 0.00 N ATOM 145 CA ASN A 12 8.000 -8.576 -10.416 1.00 0.00 C ATOM 146 C ASN A 12 9.092 -9.197 -9.531 1.00 0.00 C ATOM 147 O ASN A 12 10.198 -9.417 -9.989 1.00 0.00 O ATOM 148 CB ASN A 12 8.579 -8.160 -11.792 1.00 0.00 C ATOM 149 CG ASN A 12 7.516 -7.420 -12.620 1.00 0.00 C ATOM 150 OD1 ASN A 12 6.844 -7.992 -13.455 1.00 0.00 O ATOM 151 ND2 ASN A 12 7.338 -6.143 -12.409 1.00 0.00 N ATOM 0 H ASN A 12 8.049 -6.719 -9.343 1.00 0.00 H new ATOM 0 HA ASN A 12 7.235 -9.344 -10.528 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.449 -7.519 -11.649 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.920 -9.043 -12.332 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.637 -5.630 -12.944 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.900 -5.659 -11.709 1.00 0.00 H new ATOM 158 N ASN A 13 8.761 -9.469 -8.289 1.00 0.00 N ATOM 159 CA ASN A 13 9.750 -10.071 -7.348 1.00 0.00 C ATOM 160 C ASN A 13 9.123 -10.462 -5.983 1.00 0.00 C ATOM 161 O ASN A 13 8.185 -11.235 -5.954 1.00 0.00 O ATOM 162 CB ASN A 13 10.918 -9.044 -7.169 1.00 0.00 C ATOM 163 CG ASN A 13 10.374 -7.705 -6.655 1.00 0.00 C ATOM 164 OD1 ASN A 13 10.658 -7.319 -5.542 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.601 -6.972 -7.416 1.00 0.00 N ATOM 0 H ASN A 13 7.839 -9.297 -7.888 1.00 0.00 H new ATOM 0 HA ASN A 13 10.121 -11.006 -7.768 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.654 -9.438 -6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.430 -8.896 -8.120 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.242 -6.082 -7.071 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.358 -7.291 -8.354 1.00 0.00 H new ATOM 172 N ARG A 14 9.650 -9.928 -4.903 1.00 0.00 N ATOM 173 CA ARG A 14 9.155 -10.211 -3.515 1.00 0.00 C ATOM 174 C ARG A 14 7.631 -10.076 -3.394 1.00 0.00 C ATOM 175 O ARG A 14 7.032 -9.248 -4.046 1.00 0.00 O ATOM 176 CB ARG A 14 9.860 -9.220 -2.554 1.00 0.00 C ATOM 177 CG ARG A 14 9.571 -9.501 -1.050 1.00 0.00 C ATOM 178 CD ARG A 14 10.480 -10.620 -0.480 1.00 0.00 C ATOM 179 NE ARG A 14 10.254 -11.905 -1.218 1.00 0.00 N ATOM 180 CZ ARG A 14 11.151 -12.435 -2.018 1.00 0.00 C ATOM 181 NH1 ARG A 14 12.309 -11.865 -2.224 1.00 0.00 N ATOM 182 NH2 ARG A 14 10.845 -13.559 -2.606 1.00 0.00 N ATOM 0 H ARG A 14 10.437 -9.280 -4.931 1.00 0.00 H new ATOM 0 HA ARG A 14 9.390 -11.244 -3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.936 -9.265 -2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.542 -8.205 -2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.720 -8.586 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.526 -9.787 -0.929 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.526 -10.325 -0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.272 -10.761 0.581 1.00 0.00 H new ATOM 0 HE ARG A 14 9.365 -12.389 -1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.535 -10.986 -1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.987 -12.299 -2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.937 -13.993 -2.437 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.513 -14.004 -3.235 1.00 0.00 H new ATOM 196 N ALA A 15 7.052 -10.900 -2.559 1.00 0.00 N ATOM 197 CA ALA A 15 5.571 -10.875 -2.345 1.00 0.00 C ATOM 198 C ALA A 15 5.299 -10.595 -0.864 1.00 0.00 C ATOM 199 O ALA A 15 5.637 -11.396 -0.013 1.00 0.00 O ATOM 200 CB ALA A 15 4.990 -12.235 -2.753 1.00 0.00 C ATOM 0 H ALA A 15 7.549 -11.600 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 15 5.103 -10.097 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.911 -12.230 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.208 -12.423 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.438 -13.020 -2.143 1.00 0.00 H new ATOM 206 N GLU A 16 4.698 -9.461 -0.603 1.00 0.00 N ATOM 207 CA GLU A 16 4.378 -9.074 0.806 1.00 0.00 C ATOM 208 C GLU A 16 3.108 -8.214 0.752 1.00 0.00 C ATOM 209 O GLU A 16 3.021 -7.307 -0.052 1.00 0.00 O ATOM 210 CB GLU A 16 5.602 -8.292 1.362 1.00 0.00 C ATOM 211 CG GLU A 16 5.667 -8.292 2.922 1.00 0.00 C ATOM 212 CD GLU A 16 4.613 -7.409 3.630 1.00 0.00 C ATOM 213 OE1 GLU A 16 3.880 -6.706 2.958 1.00 0.00 O ATOM 214 OE2 GLU A 16 4.603 -7.489 4.848 1.00 0.00 O ATOM 0 H GLU A 16 4.414 -8.783 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 16 4.194 -9.925 1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.518 -8.731 0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.561 -7.263 1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.552 -9.317 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.659 -7.959 3.227 1.00 0.00 H new ATOM 221 N ARG A 17 2.164 -8.522 1.609 1.00 0.00 N ATOM 222 CA ARG A 17 0.878 -7.775 1.670 1.00 0.00 C ATOM 223 C ARG A 17 0.615 -7.093 3.021 1.00 0.00 C ATOM 224 O ARG A 17 1.235 -7.397 4.022 1.00 0.00 O ATOM 225 CB ARG A 17 -0.233 -8.770 1.360 1.00 0.00 C ATOM 226 CG ARG A 17 -0.238 -9.087 -0.140 1.00 0.00 C ATOM 227 CD ARG A 17 -1.353 -10.099 -0.455 1.00 0.00 C ATOM 228 NE ARG A 17 -1.501 -10.195 -1.941 1.00 0.00 N ATOM 229 CZ ARG A 17 -0.638 -10.833 -2.691 1.00 0.00 C ATOM 230 NH1 ARG A 17 0.403 -11.422 -2.164 1.00 0.00 N ATOM 231 NH2 ARG A 17 -0.853 -10.857 -3.977 1.00 0.00 N ATOM 0 H ARG A 17 2.239 -9.282 2.285 1.00 0.00 H new ATOM 0 HA ARG A 17 0.920 -6.963 0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.086 -9.685 1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.197 -8.358 1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.391 -8.173 -0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.729 -9.492 -0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.109 -11.075 -0.035 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.292 -9.782 -0.001 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.303 -9.748 -2.385 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.552 -11.388 -1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.067 -11.915 -2.761 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.671 -10.389 -4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.203 -11.344 -4.594 1.00 0.00 H new ATOM 245 N TYR A 18 -0.321 -6.177 2.966 1.00 0.00 N ATOM 246 CA TYR A 18 -0.754 -5.384 4.161 1.00 0.00 C ATOM 247 C TYR A 18 -2.282 -5.218 4.047 1.00 0.00 C ATOM 248 O TYR A 18 -2.759 -4.323 3.375 1.00 0.00 O ATOM 249 CB TYR A 18 -0.071 -3.997 4.153 1.00 0.00 C ATOM 250 CG TYR A 18 1.456 -4.108 4.312 1.00 0.00 C ATOM 251 CD1 TYR A 18 2.019 -4.494 5.514 1.00 0.00 C ATOM 252 CD2 TYR A 18 2.293 -3.813 3.254 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.390 -4.581 5.652 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.661 -3.900 3.394 1.00 0.00 C ATOM 255 CZ TYR A 18 4.220 -4.285 4.593 1.00 0.00 C ATOM 256 OH TYR A 18 5.591 -4.377 4.722 1.00 0.00 O ATOM 0 H TYR A 18 -0.821 -5.938 2.110 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.478 -5.887 5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.302 -3.484 3.220 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.477 -3.388 4.961 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.381 -4.730 6.353 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.871 -3.511 2.307 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.815 -4.883 6.598 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.301 -3.664 2.556 1.00 0.00 H new ATOM 0 HH TYR A 18 5.986 -4.613 3.857 1.00 0.00 H new ATOM 266 N SER A 19 -3.001 -6.091 4.711 1.00 0.00 N ATOM 267 CA SER A 19 -4.502 -6.047 4.683 1.00 0.00 C ATOM 268 C SER A 19 -5.117 -5.680 6.042 1.00 0.00 C ATOM 269 O SER A 19 -6.240 -5.214 6.090 1.00 0.00 O ATOM 270 CB SER A 19 -5.008 -7.429 4.236 1.00 0.00 C ATOM 271 OG SER A 19 -6.417 -7.290 4.107 1.00 0.00 O ATOM 0 H SER A 19 -2.609 -6.842 5.279 1.00 0.00 H new ATOM 0 HA SER A 19 -4.808 -5.265 3.988 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.554 -7.727 3.291 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.754 -8.196 4.967 1.00 0.00 H new ATOM 0 HG SER A 19 -6.624 -6.424 3.699 1.00 0.00 H new ATOM 277 N LYS A 20 -4.371 -5.897 7.097 1.00 0.00 N ATOM 278 CA LYS A 20 -4.854 -5.585 8.476 1.00 0.00 C ATOM 279 C LYS A 20 -5.397 -4.154 8.605 1.00 0.00 C ATOM 280 O LYS A 20 -4.920 -3.247 7.949 1.00 0.00 O ATOM 281 CB LYS A 20 -3.681 -5.798 9.444 1.00 0.00 C ATOM 282 CG LYS A 20 -3.278 -7.298 9.458 1.00 0.00 C ATOM 283 CD LYS A 20 -2.040 -7.533 10.357 1.00 0.00 C ATOM 284 CE LYS A 20 -2.346 -7.184 11.829 1.00 0.00 C ATOM 285 NZ LYS A 20 -1.163 -7.503 12.678 1.00 0.00 N ATOM 0 H LYS A 20 -3.429 -6.285 7.058 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.686 -6.248 8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.831 -5.186 9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.962 -5.478 10.447 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.113 -7.899 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.062 -7.629 8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.727 -8.575 10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.208 -6.925 10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.595 -6.126 11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.214 -7.746 12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.373 -7.267 13.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.945 -8.517 12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.345 -6.948 12.356 1.00 0.00 H new ATOM 299 N CYS A 21 -6.385 -4.006 9.456 1.00 0.00 N ATOM 300 CA CYS A 21 -7.013 -2.666 9.685 1.00 0.00 C ATOM 301 C CYS A 21 -5.949 -1.690 10.211 1.00 0.00 C ATOM 302 O CYS A 21 -4.924 -2.111 10.713 1.00 0.00 O ATOM 303 CB CYS A 21 -8.141 -2.798 10.715 1.00 0.00 C ATOM 304 SG CYS A 21 -9.282 -1.399 10.853 1.00 0.00 S ATOM 0 H CYS A 21 -6.787 -4.765 10.007 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.422 -2.290 8.748 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.721 -3.688 10.472 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.691 -2.968 11.693 1.00 0.00 H new ATOM 309 N GLY A 22 -6.220 -0.416 10.084 1.00 0.00 N ATOM 310 CA GLY A 22 -5.236 0.605 10.564 1.00 0.00 C ATOM 311 C GLY A 22 -4.142 0.682 9.496 1.00 0.00 C ATOM 312 O GLY A 22 -4.445 0.483 8.336 1.00 0.00 O ATOM 0 H GLY A 22 -7.073 -0.039 9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.716 1.574 10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.818 0.319 11.529 1.00 0.00 H new ATOM 316 N CYS A 23 -2.917 0.957 9.881 1.00 0.00 N ATOM 317 CA CYS A 23 -1.829 1.038 8.852 1.00 0.00 C ATOM 318 C CYS A 23 -0.589 0.196 9.172 1.00 0.00 C ATOM 319 O CYS A 23 -0.458 -0.364 10.243 1.00 0.00 O ATOM 320 CB CYS A 23 -1.400 2.499 8.686 1.00 0.00 C ATOM 321 SG CYS A 23 -0.579 3.324 10.068 1.00 0.00 S ATOM 0 H CYS A 23 -2.627 1.126 10.844 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.253 0.629 7.935 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.733 2.552 7.826 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.289 3.078 8.436 1.00 0.00 H new ATOM 326 N SER A 24 0.284 0.149 8.192 1.00 0.00 N ATOM 327 CA SER A 24 1.564 -0.621 8.295 1.00 0.00 C ATOM 328 C SER A 24 2.648 0.018 7.410 1.00 0.00 C ATOM 329 O SER A 24 2.383 0.396 6.284 1.00 0.00 O ATOM 330 CB SER A 24 1.302 -2.069 7.848 1.00 0.00 C ATOM 331 OG SER A 24 0.788 -1.941 6.528 1.00 0.00 O ATOM 0 H SER A 24 0.157 0.627 7.300 1.00 0.00 H new ATOM 0 HA SER A 24 1.918 -0.608 9.326 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.217 -2.662 7.863 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.589 -2.566 8.506 1.00 0.00 H new ATOM 0 HG SER A 24 1.284 -2.534 5.925 1.00 0.00 H new ATOM 337 N ALA A 25 3.836 0.110 7.952 1.00 0.00 N ATOM 338 CA ALA A 25 4.988 0.712 7.210 1.00 0.00 C ATOM 339 C ALA A 25 5.611 -0.284 6.218 1.00 0.00 C ATOM 340 O ALA A 25 6.200 -1.276 6.602 1.00 0.00 O ATOM 341 CB ALA A 25 6.034 1.162 8.236 1.00 0.00 C ATOM 0 H ALA A 25 4.061 -0.212 8.893 1.00 0.00 H new ATOM 0 HA ALA A 25 4.631 1.561 6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.885 1.605 7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.593 1.900 8.906 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.370 0.302 8.815 1.00 0.00 H new ATOM 347 N ILE A 26 5.446 0.034 4.960 1.00 0.00 N ATOM 348 CA ILE A 26 5.983 -0.810 3.845 1.00 0.00 C ATOM 349 C ILE A 26 7.482 -0.529 3.648 1.00 0.00 C ATOM 350 O ILE A 26 7.934 0.584 3.841 1.00 0.00 O ATOM 351 CB ILE A 26 5.212 -0.470 2.540 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.705 -0.780 2.673 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.815 -1.233 1.329 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.921 0.429 2.151 1.00 0.00 C ATOM 0 H ILE A 26 4.947 0.867 4.649 1.00 0.00 H new ATOM 0 HA ILE A 26 5.852 -1.864 4.090 1.00 0.00 H new ATOM 0 HB ILE A 26 5.319 0.601 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.449 -1.674 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.448 -0.980 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.259 -0.980 0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.860 -0.949 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.749 -2.307 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.852 0.233 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.176 1.310 2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.177 0.605 1.106 1.00 0.00 H new ATOM 366 N HIS A 27 8.194 -1.561 3.268 1.00 0.00 N ATOM 367 CA HIS A 27 9.668 -1.458 3.025 1.00 0.00 C ATOM 368 C HIS A 27 9.964 -1.964 1.600 1.00 0.00 C ATOM 369 O HIS A 27 11.036 -1.739 1.075 1.00 0.00 O ATOM 370 CB HIS A 27 10.422 -2.319 4.060 1.00 0.00 C ATOM 371 CG HIS A 27 11.931 -2.140 3.842 1.00 0.00 C ATOM 372 ND1 HIS A 27 12.666 -2.892 3.089 1.00 0.00 N ATOM 373 CD2 HIS A 27 12.813 -1.201 4.350 1.00 0.00 C ATOM 374 CE1 HIS A 27 13.892 -2.472 3.117 1.00 0.00 C ATOM 375 NE2 HIS A 27 14.028 -1.423 3.888 1.00 0.00 N ATOM 0 H HIS A 27 7.807 -2.492 3.112 1.00 0.00 H new ATOM 0 HA HIS A 27 9.997 -0.424 3.124 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.148 -2.020 5.072 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.146 -3.368 3.952 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.545 -0.403 5.026 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.702 -2.932 2.571 1.00 0.00 H new ATOM 0 HE2 HIS A 27 14.879 -0.897 4.086 1.00 0.00 H new ATOM 383 N GLN A 28 8.997 -2.633 1.022 1.00 0.00 N ATOM 384 CA GLN A 28 9.147 -3.181 -0.359 1.00 0.00 C ATOM 385 C GLN A 28 9.143 -2.013 -1.359 1.00 0.00 C ATOM 386 O GLN A 28 8.104 -1.483 -1.705 1.00 0.00 O ATOM 387 CB GLN A 28 7.975 -4.146 -0.646 1.00 0.00 C ATOM 388 CG GLN A 28 8.016 -5.377 0.291 1.00 0.00 C ATOM 389 CD GLN A 28 7.491 -5.039 1.699 1.00 0.00 C ATOM 390 OE1 GLN A 28 6.302 -5.029 1.950 1.00 0.00 O ATOM 391 NE2 GLN A 28 8.338 -4.757 2.649 1.00 0.00 N ATOM 0 H GLN A 28 8.095 -2.825 1.458 1.00 0.00 H new ATOM 0 HA GLN A 28 10.085 -3.728 -0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.029 -3.620 -0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.018 -4.475 -1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.417 -6.181 -0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.039 -5.746 0.363 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.340 -4.761 2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.999 -4.533 3.585 1.00 0.00 H new ATOM 400 N LYS A 29 10.330 -1.659 -1.784 1.00 0.00 N ATOM 401 CA LYS A 29 10.528 -0.544 -2.751 1.00 0.00 C ATOM 402 C LYS A 29 10.419 -1.008 -4.221 1.00 0.00 C ATOM 403 O LYS A 29 11.336 -0.816 -4.998 1.00 0.00 O ATOM 404 CB LYS A 29 11.915 0.068 -2.489 1.00 0.00 C ATOM 405 CG LYS A 29 12.013 0.617 -1.055 1.00 0.00 C ATOM 406 CD LYS A 29 13.246 1.543 -0.953 1.00 0.00 C ATOM 407 CE LYS A 29 13.418 2.036 0.494 1.00 0.00 C ATOM 408 NZ LYS A 29 12.224 2.816 0.930 1.00 0.00 N ATOM 0 H LYS A 29 11.194 -2.113 -1.489 1.00 0.00 H new ATOM 0 HA LYS A 29 9.738 0.193 -2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.685 -0.687 -2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.104 0.870 -3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.107 1.167 -0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.099 -0.204 -0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.140 1.007 -1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.128 2.394 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.565 1.185 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.311 2.656 0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.443 3.322 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.969 3.503 0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.426 2.169 1.091 1.00 0.00 H new ATOM 422 N GLY A 30 9.305 -1.604 -4.566 1.00 0.00 N ATOM 423 CA GLY A 30 9.115 -2.089 -5.974 1.00 0.00 C ATOM 424 C GLY A 30 7.771 -1.716 -6.588 1.00 0.00 C ATOM 425 O GLY A 30 7.614 -0.620 -7.086 1.00 0.00 O ATOM 0 H GLY A 30 8.520 -1.777 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.912 -1.682 -6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.220 -3.174 -5.990 1.00 0.00 H new ATOM 429 N GLY A 31 6.848 -2.645 -6.534 1.00 0.00 N ATOM 430 CA GLY A 31 5.480 -2.418 -7.101 1.00 0.00 C ATOM 431 C GLY A 31 4.467 -2.214 -5.982 1.00 0.00 C ATOM 432 O GLY A 31 4.739 -2.556 -4.847 1.00 0.00 O ATOM 0 H GLY A 31 6.986 -3.565 -6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.491 -1.545 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.187 -3.271 -7.714 1.00 0.00 H new ATOM 436 N TYR A 32 3.330 -1.659 -6.331 1.00 0.00 N ATOM 437 CA TYR A 32 2.268 -1.416 -5.303 1.00 0.00 C ATOM 438 C TYR A 32 0.865 -1.612 -5.879 1.00 0.00 C ATOM 439 O TYR A 32 0.370 -0.830 -6.667 1.00 0.00 O ATOM 440 CB TYR A 32 2.382 0.021 -4.749 1.00 0.00 C ATOM 441 CG TYR A 32 3.823 0.277 -4.288 1.00 0.00 C ATOM 442 CD1 TYR A 32 4.785 0.639 -5.212 1.00 0.00 C ATOM 443 CD2 TYR A 32 4.188 0.125 -2.967 1.00 0.00 C ATOM 444 CE1 TYR A 32 6.085 0.840 -4.821 1.00 0.00 C ATOM 445 CE2 TYR A 32 5.491 0.325 -2.577 1.00 0.00 C ATOM 446 CZ TYR A 32 6.442 0.682 -3.505 1.00 0.00 C ATOM 447 OH TYR A 32 7.748 0.873 -3.126 1.00 0.00 O ATOM 0 H TYR A 32 3.092 -1.365 -7.278 1.00 0.00 H new ATOM 0 HA TYR A 32 2.421 -2.142 -4.504 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.101 0.742 -5.517 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.692 0.157 -3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.512 0.765 -6.249 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.445 -0.153 -2.234 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.829 1.123 -5.551 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.769 0.202 -1.541 1.00 0.00 H new ATOM 0 HH TYR A 32 7.775 1.403 -2.302 1.00 0.00 H new ATOM 457 N ASP A 33 0.279 -2.685 -5.436 1.00 0.00 N ATOM 458 CA ASP A 33 -1.094 -3.087 -5.852 1.00 0.00 C ATOM 459 C ASP A 33 -2.076 -2.889 -4.694 1.00 0.00 C ATOM 460 O ASP A 33 -1.679 -2.768 -3.552 1.00 0.00 O ATOM 461 CB ASP A 33 -1.064 -4.576 -6.290 1.00 0.00 C ATOM 462 CG ASP A 33 -2.466 -5.242 -6.214 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.284 -4.942 -7.066 1.00 0.00 O ATOM 464 OD2 ASP A 33 -2.649 -6.019 -5.292 1.00 0.00 O ATOM 0 H ASP A 33 0.714 -3.328 -4.774 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.425 -2.467 -6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.687 -4.645 -7.310 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.369 -5.125 -5.655 1.00 0.00 H new ATOM 469 N PHE A 34 -3.334 -2.861 -5.048 1.00 0.00 N ATOM 470 CA PHE A 34 -4.413 -2.686 -4.034 1.00 0.00 C ATOM 471 C PHE A 34 -5.659 -3.435 -4.517 1.00 0.00 C ATOM 472 O PHE A 34 -5.805 -3.689 -5.698 1.00 0.00 O ATOM 473 CB PHE A 34 -4.734 -1.184 -3.862 1.00 0.00 C ATOM 474 CG PHE A 34 -5.805 -1.025 -2.763 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.551 -1.446 -1.466 1.00 0.00 C ATOM 476 CD2 PHE A 34 -7.037 -0.467 -3.055 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.508 -1.313 -0.484 1.00 0.00 C ATOM 478 CE2 PHE A 34 -7.995 -0.335 -2.070 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.731 -0.758 -0.785 1.00 0.00 C ATOM 0 H PHE A 34 -3.663 -2.953 -6.009 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.089 -3.084 -3.072 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.832 -0.634 -3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.093 -0.765 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.593 -1.882 -1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.250 -0.133 -4.060 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.299 -1.644 0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.954 0.101 -2.307 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.482 -0.654 -0.016 1.00 0.00 H new ATOM 489 N SER A 35 -6.509 -3.760 -3.574 1.00 0.00 N ATOM 490 CA SER A 35 -7.775 -4.492 -3.873 1.00 0.00 C ATOM 491 C SER A 35 -8.861 -4.027 -2.897 1.00 0.00 C ATOM 492 O SER A 35 -8.891 -4.417 -1.745 1.00 0.00 O ATOM 493 CB SER A 35 -7.516 -6.004 -3.724 1.00 0.00 C ATOM 494 OG SER A 35 -8.754 -6.608 -4.072 1.00 0.00 O ATOM 0 H SER A 35 -6.373 -3.542 -2.587 1.00 0.00 H new ATOM 0 HA SER A 35 -8.110 -4.288 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.712 -6.337 -4.381 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.221 -6.259 -2.706 1.00 0.00 H new ATOM 0 HG SER A 35 -8.673 -7.582 -4.004 1.00 0.00 H new ATOM 500 N TYR A 36 -9.721 -3.196 -3.423 1.00 0.00 N ATOM 501 CA TYR A 36 -10.854 -2.628 -2.633 1.00 0.00 C ATOM 502 C TYR A 36 -11.993 -3.657 -2.518 1.00 0.00 C ATOM 503 O TYR A 36 -12.161 -4.496 -3.381 1.00 0.00 O ATOM 504 CB TYR A 36 -11.342 -1.373 -3.354 1.00 0.00 C ATOM 505 CG TYR A 36 -12.467 -0.669 -2.574 1.00 0.00 C ATOM 506 CD1 TYR A 36 -13.782 -1.072 -2.721 1.00 0.00 C ATOM 507 CD2 TYR A 36 -12.185 0.379 -1.720 1.00 0.00 C ATOM 508 CE1 TYR A 36 -14.791 -0.440 -2.028 1.00 0.00 C ATOM 509 CE2 TYR A 36 -13.199 1.009 -1.029 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.507 0.604 -1.178 1.00 0.00 C ATOM 511 OH TYR A 36 -15.517 1.236 -0.483 1.00 0.00 O ATOM 0 H TYR A 36 -9.685 -2.879 -4.392 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.526 -2.380 -1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.508 -0.684 -3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.701 -1.641 -4.348 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -14.020 -1.890 -3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.164 0.707 -1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -15.813 -0.767 -2.153 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -12.965 1.828 -0.365 1.00 0.00 H new ATOM 0 HH TYR A 36 -15.472 0.982 0.462 1.00 0.00 H new ATOM 521 N THR A 37 -12.734 -3.545 -1.445 1.00 0.00 N ATOM 522 CA THR A 37 -13.891 -4.453 -1.165 1.00 0.00 C ATOM 523 C THR A 37 -14.551 -3.899 0.102 1.00 0.00 C ATOM 524 O THR A 37 -14.455 -4.441 1.187 1.00 0.00 O ATOM 525 CB THR A 37 -13.367 -5.930 -0.976 1.00 0.00 C ATOM 526 OG1 THR A 37 -14.470 -6.663 -0.458 1.00 0.00 O ATOM 527 CG2 THR A 37 -12.235 -6.076 0.049 1.00 0.00 C ATOM 0 H THR A 37 -12.580 -2.837 -0.727 1.00 0.00 H new ATOM 0 HA THR A 37 -14.614 -4.488 -1.980 1.00 0.00 H new ATOM 0 HB THR A 37 -12.978 -6.272 -1.935 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.206 -7.597 -0.319 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.937 -7.122 0.115 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.381 -5.474 -0.263 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.581 -5.735 1.025 1.00 0.00 H new ATOM 535 N GLY A 38 -15.218 -2.794 -0.110 1.00 0.00 N ATOM 536 CA GLY A 38 -15.931 -2.080 0.969 1.00 0.00 C ATOM 537 C GLY A 38 -14.971 -1.213 1.797 1.00 0.00 C ATOM 538 O GLY A 38 -15.332 -0.127 2.210 1.00 0.00 O ATOM 0 H GLY A 38 -15.295 -2.348 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.711 -1.452 0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.425 -2.801 1.620 1.00 0.00 H new ATOM 542 N GLN A 39 -13.777 -1.713 2.011 1.00 0.00 N ATOM 543 CA GLN A 39 -12.761 -0.959 2.805 1.00 0.00 C ATOM 544 C GLN A 39 -11.902 -0.053 1.929 1.00 0.00 C ATOM 545 O GLN A 39 -11.294 -0.487 0.971 1.00 0.00 O ATOM 546 CB GLN A 39 -11.849 -1.940 3.551 1.00 0.00 C ATOM 547 CG GLN A 39 -12.641 -2.641 4.667 1.00 0.00 C ATOM 548 CD GLN A 39 -13.581 -3.701 4.079 1.00 0.00 C ATOM 549 OE1 GLN A 39 -13.161 -4.772 3.687 1.00 0.00 O ATOM 550 NE2 GLN A 39 -14.858 -3.446 3.999 1.00 0.00 N ATOM 0 H GLN A 39 -13.462 -2.620 1.665 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.306 -0.332 3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.449 -2.679 2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.997 -1.408 3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.952 -3.108 5.371 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.219 -1.906 5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.221 -2.550 4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.494 -4.142 3.610 1.00 0.00 H new ATOM 559 N THR A 40 -11.892 1.196 2.314 1.00 0.00 N ATOM 560 CA THR A 40 -11.105 2.232 1.578 1.00 0.00 C ATOM 561 C THR A 40 -9.670 2.217 2.115 1.00 0.00 C ATOM 562 O THR A 40 -9.414 1.664 3.168 1.00 0.00 O ATOM 563 CB THR A 40 -11.769 3.605 1.815 1.00 0.00 C ATOM 564 OG1 THR A 40 -13.158 3.384 1.602 1.00 0.00 O ATOM 565 CG2 THR A 40 -11.414 4.601 0.705 1.00 0.00 C ATOM 0 H THR A 40 -12.405 1.549 3.122 1.00 0.00 H new ATOM 0 HA THR A 40 -11.083 2.031 0.507 1.00 0.00 H new ATOM 0 HB THR A 40 -11.469 3.981 2.793 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.647 4.222 1.738 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.899 5.557 0.905 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.334 4.742 0.674 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.757 4.214 -0.255 1.00 0.00 H new ATOM 573 N ALA A 41 -8.774 2.822 1.378 1.00 0.00 N ATOM 574 CA ALA A 41 -7.344 2.862 1.815 1.00 0.00 C ATOM 575 C ALA A 41 -6.629 4.093 1.266 1.00 0.00 C ATOM 576 O ALA A 41 -6.945 4.562 0.191 1.00 0.00 O ATOM 577 CB ALA A 41 -6.633 1.608 1.313 1.00 0.00 C ATOM 0 H ALA A 41 -8.970 3.290 0.493 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.320 2.908 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.590 1.631 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.118 0.724 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.683 1.573 0.225 1.00 0.00 H new ATOM 583 N ALA A 42 -5.681 4.570 2.033 1.00 0.00 N ATOM 584 CA ALA A 42 -4.891 5.770 1.628 1.00 0.00 C ATOM 585 C ALA A 42 -3.446 5.619 2.102 1.00 0.00 C ATOM 586 O ALA A 42 -3.188 5.011 3.122 1.00 0.00 O ATOM 587 CB ALA A 42 -5.526 7.020 2.251 1.00 0.00 C ATOM 0 H ALA A 42 -5.418 4.172 2.935 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.894 5.867 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.955 7.902 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.553 7.120 1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.522 6.927 3.337 1.00 0.00 H new ATOM 593 N LEU A 43 -2.549 6.187 1.336 1.00 0.00 N ATOM 594 CA LEU A 43 -1.100 6.126 1.661 1.00 0.00 C ATOM 595 C LEU A 43 -0.724 7.261 2.581 1.00 0.00 C ATOM 596 O LEU A 43 -1.400 8.265 2.680 1.00 0.00 O ATOM 597 CB LEU A 43 -0.247 6.237 0.387 1.00 0.00 C ATOM 598 CG LEU A 43 -0.126 4.905 -0.388 1.00 0.00 C ATOM 599 CD1 LEU A 43 0.661 3.835 0.405 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.485 4.364 -0.747 1.00 0.00 C ATOM 0 H LEU A 43 -2.770 6.700 0.482 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.911 5.168 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.682 6.992 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.751 6.585 0.656 1.00 0.00 H new ATOM 0 HG LEU A 43 0.429 5.127 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.719 2.918 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.668 4.200 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.152 3.632 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.371 3.427 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.058 4.188 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.010 5.086 -1.373 1.00 0.00 H new ATOM 612 N TYR A 44 0.383 7.016 3.214 1.00 0.00 N ATOM 613 CA TYR A 44 0.975 7.968 4.186 1.00 0.00 C ATOM 614 C TYR A 44 2.485 8.014 3.955 1.00 0.00 C ATOM 615 O TYR A 44 3.176 7.039 4.174 1.00 0.00 O ATOM 616 CB TYR A 44 0.605 7.454 5.568 1.00 0.00 C ATOM 617 CG TYR A 44 -0.855 7.825 5.896 1.00 0.00 C ATOM 618 CD1 TYR A 44 -1.898 7.041 5.434 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.151 8.944 6.650 1.00 0.00 C ATOM 620 CE1 TYR A 44 -3.205 7.371 5.718 1.00 0.00 C ATOM 621 CE2 TYR A 44 -2.460 9.270 6.933 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.495 8.487 6.470 1.00 0.00 C ATOM 623 OH TYR A 44 -4.805 8.814 6.755 1.00 0.00 O ATOM 0 H TYR A 44 0.923 6.159 3.092 1.00 0.00 H new ATOM 0 HA TYR A 44 0.604 8.987 4.076 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.732 6.372 5.608 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.274 7.881 6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.685 6.161 4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.351 9.568 7.020 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.008 6.750 5.348 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.677 10.148 7.524 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.828 9.630 7.297 1.00 0.00 H new ATOM 633 N ASN A 45 2.942 9.160 3.515 1.00 0.00 N ATOM 634 CA ASN A 45 4.396 9.376 3.231 1.00 0.00 C ATOM 635 C ASN A 45 5.298 9.066 4.435 1.00 0.00 C ATOM 636 O ASN A 45 6.498 8.935 4.288 1.00 0.00 O ATOM 637 CB ASN A 45 4.571 10.841 2.784 1.00 0.00 C ATOM 638 CG ASN A 45 6.022 11.090 2.353 1.00 0.00 C ATOM 639 OD1 ASN A 45 6.422 10.753 1.256 1.00 0.00 O ATOM 640 ND2 ASN A 45 6.838 11.676 3.186 1.00 0.00 N ATOM 0 H ASN A 45 2.354 9.974 3.336 1.00 0.00 H new ATOM 0 HA ASN A 45 4.706 8.684 2.448 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.895 11.061 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.305 11.513 3.600 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.806 11.849 2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.508 11.961 4.108 1.00 0.00 H new ATOM 647 N GLN A 46 4.684 8.958 5.583 1.00 0.00 N ATOM 648 CA GLN A 46 5.421 8.659 6.841 1.00 0.00 C ATOM 649 C GLN A 46 4.914 7.348 7.445 1.00 0.00 C ATOM 650 O GLN A 46 3.723 7.130 7.562 1.00 0.00 O ATOM 651 CB GLN A 46 5.227 9.841 7.841 1.00 0.00 C ATOM 652 CG GLN A 46 3.739 10.224 8.087 1.00 0.00 C ATOM 653 CD GLN A 46 3.098 10.830 6.826 1.00 0.00 C ATOM 654 OE1 GLN A 46 3.619 11.744 6.218 1.00 0.00 O ATOM 655 NE2 GLN A 46 1.965 10.346 6.400 1.00 0.00 N ATOM 0 H GLN A 46 3.677 9.068 5.702 1.00 0.00 H new ATOM 0 HA GLN A 46 6.484 8.546 6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.686 9.576 8.794 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.759 10.714 7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.180 9.339 8.392 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.677 10.939 8.908 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.517 9.579 6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.526 10.735 5.565 1.00 0.00 H new ATOM 664 N ALA A 47 5.866 6.520 7.799 1.00 0.00 N ATOM 665 CA ALA A 47 5.588 5.182 8.412 1.00 0.00 C ATOM 666 C ALA A 47 4.496 5.216 9.496 1.00 0.00 C ATOM 667 O ALA A 47 4.308 6.214 10.168 1.00 0.00 O ATOM 668 CB ALA A 47 6.890 4.645 9.025 1.00 0.00 C ATOM 0 H ALA A 47 6.859 6.724 7.684 1.00 0.00 H new ATOM 0 HA ALA A 47 5.217 4.534 7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.705 3.670 9.476 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.646 4.546 8.246 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.245 5.337 9.789 1.00 0.00 H new ATOM 674 N GLY A 48 3.813 4.105 9.617 1.00 0.00 N ATOM 675 CA GLY A 48 2.715 3.966 10.624 1.00 0.00 C ATOM 676 C GLY A 48 1.690 5.104 10.533 1.00 0.00 C ATOM 677 O GLY A 48 1.145 5.510 11.542 1.00 0.00 O ATOM 0 H GLY A 48 3.973 3.273 9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.209 3.012 10.476 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.145 3.947 11.626 1.00 0.00 H new ATOM 681 N CYS A 49 1.469 5.567 9.324 1.00 0.00 N ATOM 682 CA CYS A 49 0.501 6.679 9.043 1.00 0.00 C ATOM 683 C CYS A 49 0.540 7.776 10.117 1.00 0.00 C ATOM 684 O CYS A 49 -0.476 8.258 10.580 1.00 0.00 O ATOM 685 CB CYS A 49 -0.915 6.057 8.921 1.00 0.00 C ATOM 686 SG CYS A 49 -1.597 5.056 10.266 1.00 0.00 S ATOM 0 H CYS A 49 1.936 5.207 8.492 1.00 0.00 H new ATOM 0 HA CYS A 49 0.780 7.172 8.112 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.612 6.876 8.744 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.918 5.437 8.025 1.00 0.00 H new ATOM 691 N SER A 50 1.753 8.130 10.470 1.00 0.00 N ATOM 692 CA SER A 50 1.981 9.183 11.509 1.00 0.00 C ATOM 693 C SER A 50 1.977 10.600 10.915 1.00 0.00 C ATOM 694 O SER A 50 2.735 11.462 11.319 1.00 0.00 O ATOM 695 CB SER A 50 3.329 8.873 12.194 1.00 0.00 C ATOM 696 OG SER A 50 3.178 7.548 12.687 1.00 0.00 O ATOM 0 H SER A 50 2.605 7.729 10.077 1.00 0.00 H new ATOM 0 HA SER A 50 1.166 9.163 12.232 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.158 8.943 11.490 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.536 9.576 13.001 1.00 0.00 H new ATOM 0 HG SER A 50 3.506 6.911 12.019 1.00 0.00 H new ATOM 702 N GLY A 51 1.102 10.784 9.962 1.00 0.00 N ATOM 703 CA GLY A 51 0.962 12.104 9.275 1.00 0.00 C ATOM 704 C GLY A 51 -0.394 12.196 8.572 1.00 0.00 C ATOM 705 O GLY A 51 -1.381 11.671 9.050 1.00 0.00 O ATOM 0 H GLY A 51 0.466 10.062 9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.058 12.911 10.001 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.765 12.231 8.549 1.00 0.00 H new ATOM 709 N VAL A 52 -0.382 12.871 7.451 1.00 0.00 N ATOM 710 CA VAL A 52 -1.619 13.064 6.627 1.00 0.00 C ATOM 711 C VAL A 52 -1.539 12.120 5.417 1.00 0.00 C ATOM 712 O VAL A 52 -0.463 11.706 5.029 1.00 0.00 O ATOM 713 CB VAL A 52 -1.683 14.551 6.172 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.968 14.826 5.353 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.681 15.474 7.411 1.00 0.00 C ATOM 0 H VAL A 52 0.453 13.308 7.061 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.519 12.835 7.197 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.813 14.750 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.988 15.872 5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.979 14.189 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.843 14.610 5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.726 16.515 7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.547 15.249 8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.769 15.311 7.985 1.00 0.00 H new ATOM 725 N ALA A 53 -2.684 11.809 4.860 1.00 0.00 N ATOM 726 CA ALA A 53 -2.724 10.899 3.674 1.00 0.00 C ATOM 727 C ALA A 53 -2.203 11.600 2.411 1.00 0.00 C ATOM 728 O ALA A 53 -1.897 12.777 2.439 1.00 0.00 O ATOM 729 CB ALA A 53 -4.163 10.442 3.435 1.00 0.00 C ATOM 0 H ALA A 53 -3.593 12.147 5.176 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.081 10.043 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.195 9.778 2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.527 9.911 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.795 11.311 3.249 1.00 0.00 H new ATOM 735 N HIS A 54 -2.121 10.847 1.341 1.00 0.00 N ATOM 736 CA HIS A 54 -1.628 11.407 0.042 1.00 0.00 C ATOM 737 C HIS A 54 -2.388 10.820 -1.154 1.00 0.00 C ATOM 738 O HIS A 54 -2.997 11.554 -1.910 1.00 0.00 O ATOM 739 CB HIS A 54 -0.132 11.091 -0.121 1.00 0.00 C ATOM 740 CG HIS A 54 0.676 11.724 1.014 1.00 0.00 C ATOM 741 ND1 HIS A 54 1.341 12.830 0.947 1.00 0.00 N ATOM 742 CD2 HIS A 54 0.876 11.286 2.306 1.00 0.00 C ATOM 743 CE1 HIS A 54 1.906 13.066 2.090 1.00 0.00 C ATOM 744 NE2 HIS A 54 1.643 12.129 2.966 1.00 0.00 N ATOM 0 H HIS A 54 -2.377 9.860 1.311 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.794 12.484 0.063 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.019 10.012 -0.125 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.223 11.466 -1.081 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.462 10.378 2.719 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.519 13.931 2.295 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.959 12.067 3.934 1.00 0.00 H new ATOM 752 N THR A 55 -2.330 9.516 -1.289 1.00 0.00 N ATOM 753 CA THR A 55 -3.025 8.819 -2.420 1.00 0.00 C ATOM 754 C THR A 55 -4.058 7.812 -1.903 1.00 0.00 C ATOM 755 O THR A 55 -3.706 6.802 -1.327 1.00 0.00 O ATOM 756 CB THR A 55 -1.947 8.120 -3.263 1.00 0.00 C ATOM 757 OG1 THR A 55 -1.111 9.190 -3.686 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.522 7.543 -4.569 1.00 0.00 C ATOM 0 H THR A 55 -1.824 8.897 -0.656 1.00 0.00 H new ATOM 0 HA THR A 55 -3.573 9.541 -3.026 1.00 0.00 H new ATOM 0 HB THR A 55 -1.479 7.320 -2.689 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.172 8.915 -3.626 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.726 7.058 -5.134 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.297 6.813 -4.334 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.951 8.349 -5.165 1.00 0.00 H new ATOM 766 N ARG A 56 -5.308 8.130 -2.134 1.00 0.00 N ATOM 767 CA ARG A 56 -6.430 7.246 -1.687 1.00 0.00 C ATOM 768 C ARG A 56 -6.874 6.310 -2.829 1.00 0.00 C ATOM 769 O ARG A 56 -6.552 6.538 -3.979 1.00 0.00 O ATOM 770 CB ARG A 56 -7.580 8.170 -1.223 1.00 0.00 C ATOM 771 CG ARG A 56 -8.611 7.372 -0.398 1.00 0.00 C ATOM 772 CD ARG A 56 -9.618 8.351 0.240 1.00 0.00 C ATOM 773 NE ARG A 56 -10.491 7.583 1.184 1.00 0.00 N ATOM 774 CZ ARG A 56 -10.079 7.238 2.382 1.00 0.00 C ATOM 775 NH1 ARG A 56 -8.882 7.561 2.794 1.00 0.00 N ATOM 776 NH2 ARG A 56 -10.896 6.565 3.145 1.00 0.00 N ATOM 0 H ARG A 56 -5.603 8.977 -2.620 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.117 6.601 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.179 8.987 -0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.067 8.619 -2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.133 6.660 -1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.106 6.795 0.377 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.091 9.144 0.771 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.222 8.830 -0.531 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.431 7.321 0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.257 8.087 2.183 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.573 7.288 3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.826 6.321 2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.604 6.283 4.081 1.00 0.00 H new ATOM 790 N PHE A 57 -7.602 5.284 -2.459 1.00 0.00 N ATOM 791 CA PHE A 57 -8.119 4.273 -3.439 1.00 0.00 C ATOM 792 C PHE A 57 -9.546 3.854 -3.068 1.00 0.00 C ATOM 793 O PHE A 57 -9.912 3.849 -1.908 1.00 0.00 O ATOM 794 CB PHE A 57 -7.237 3.010 -3.434 1.00 0.00 C ATOM 795 CG PHE A 57 -5.816 3.313 -3.933 1.00 0.00 C ATOM 796 CD1 PHE A 57 -5.582 3.608 -5.266 1.00 0.00 C ATOM 797 CD2 PHE A 57 -4.748 3.286 -3.056 1.00 0.00 C ATOM 798 CE1 PHE A 57 -4.304 3.871 -5.713 1.00 0.00 C ATOM 799 CE2 PHE A 57 -3.475 3.548 -3.508 1.00 0.00 C ATOM 800 CZ PHE A 57 -3.250 3.839 -4.830 1.00 0.00 C ATOM 0 H PHE A 57 -7.867 5.100 -1.491 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.104 4.734 -4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.190 2.602 -2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.690 2.246 -4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.408 3.632 -5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.913 3.059 -2.013 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.131 4.102 -6.754 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.646 3.524 -2.816 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.247 4.042 -5.176 1.00 0.00 H new ATOM 810 N GLY A 58 -10.295 3.513 -4.086 1.00 0.00 N ATOM 811 CA GLY A 58 -11.716 3.073 -3.921 1.00 0.00 C ATOM 812 C GLY A 58 -11.976 1.802 -4.745 1.00 0.00 C ATOM 813 O GLY A 58 -13.046 1.230 -4.675 1.00 0.00 O ATOM 0 H GLY A 58 -9.971 3.521 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.926 2.882 -2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.390 3.867 -4.241 1.00 0.00 H new ATOM 817 N SER A 59 -10.981 1.408 -5.501 1.00 0.00 N ATOM 818 CA SER A 59 -11.064 0.189 -6.367 1.00 0.00 C ATOM 819 C SER A 59 -9.662 -0.419 -6.502 1.00 0.00 C ATOM 820 O SER A 59 -8.686 0.303 -6.430 1.00 0.00 O ATOM 821 CB SER A 59 -11.593 0.583 -7.754 1.00 0.00 C ATOM 822 OG SER A 59 -12.909 1.060 -7.506 1.00 0.00 O ATOM 0 H SER A 59 -10.087 1.896 -5.555 1.00 0.00 H new ATOM 0 HA SER A 59 -11.740 -0.540 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.971 1.352 -8.213 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.600 -0.269 -8.434 1.00 0.00 H new ATOM 0 HG SER A 59 -13.321 1.337 -8.351 1.00 0.00 H new ATOM 828 N SER A 60 -9.600 -1.719 -6.686 1.00 0.00 N ATOM 829 CA SER A 60 -8.289 -2.423 -6.836 1.00 0.00 C ATOM 830 C SER A 60 -7.361 -1.669 -7.804 1.00 0.00 C ATOM 831 O SER A 60 -7.684 -1.485 -8.962 1.00 0.00 O ATOM 832 CB SER A 60 -8.558 -3.859 -7.355 1.00 0.00 C ATOM 833 OG SER A 60 -9.256 -3.692 -8.581 1.00 0.00 O ATOM 0 H SER A 60 -10.416 -2.328 -6.739 1.00 0.00 H new ATOM 0 HA SER A 60 -7.788 -2.462 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.626 -4.404 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.150 -4.431 -6.640 1.00 0.00 H new ATOM 0 HG SER A 60 -8.950 -2.872 -9.022 1.00 0.00 H new ATOM 839 N ALA A 61 -6.236 -1.258 -7.277 1.00 0.00 N ATOM 840 CA ALA A 61 -5.229 -0.504 -8.090 1.00 0.00 C ATOM 841 C ALA A 61 -3.898 -1.261 -8.114 1.00 0.00 C ATOM 842 O ALA A 61 -3.064 -1.083 -7.248 1.00 0.00 O ATOM 843 CB ALA A 61 -5.062 0.895 -7.464 1.00 0.00 C ATOM 0 H ALA A 61 -5.967 -1.414 -6.305 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.566 -0.404 -9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.332 1.466 -8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.020 1.415 -7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.716 0.794 -6.435 1.00 0.00 H new ATOM 849 N ARG A 62 -3.759 -2.085 -9.123 1.00 0.00 N ATOM 850 CA ARG A 62 -2.524 -2.909 -9.309 1.00 0.00 C ATOM 851 C ARG A 62 -1.366 -2.163 -10.003 1.00 0.00 C ATOM 852 O ARG A 62 -0.994 -2.469 -11.120 1.00 0.00 O ATOM 853 CB ARG A 62 -2.924 -4.188 -10.111 1.00 0.00 C ATOM 854 CG ARG A 62 -3.639 -3.831 -11.432 1.00 0.00 C ATOM 855 CD ARG A 62 -3.907 -5.128 -12.219 1.00 0.00 C ATOM 856 NE ARG A 62 -4.568 -4.769 -13.512 1.00 0.00 N ATOM 857 CZ ARG A 62 -4.803 -5.671 -14.434 1.00 0.00 C ATOM 858 NH1 ARG A 62 -4.465 -6.920 -14.247 1.00 0.00 N ATOM 859 NH2 ARG A 62 -5.382 -5.284 -15.537 1.00 0.00 N ATOM 0 H ARG A 62 -4.468 -2.224 -9.843 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.135 -3.162 -8.323 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.032 -4.776 -10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.577 -4.812 -9.500 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.576 -3.314 -11.226 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.024 -3.152 -12.022 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.973 -5.658 -12.405 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.544 -5.797 -11.641 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.842 -3.801 -13.680 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.014 -7.201 -13.377 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.653 -7.613 -14.971 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.638 -4.305 -15.662 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.579 -5.961 -16.274 1.00 0.00 H new ATOM 873 N ALA A 63 -0.818 -1.196 -9.309 1.00 0.00 N ATOM 874 CA ALA A 63 0.316 -0.409 -9.892 1.00 0.00 C ATOM 875 C ALA A 63 1.642 -1.152 -9.659 1.00 0.00 C ATOM 876 O ALA A 63 1.739 -1.991 -8.784 1.00 0.00 O ATOM 877 CB ALA A 63 0.366 0.981 -9.229 1.00 0.00 C ATOM 0 H ALA A 63 -1.103 -0.918 -8.370 1.00 0.00 H new ATOM 0 HA ALA A 63 0.164 -0.292 -10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.190 1.556 -9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.572 1.505 -9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.516 0.867 -8.155 1.00 0.00 H new ATOM 883 N CYS A 64 2.622 -0.814 -10.459 1.00 0.00 N ATOM 884 CA CYS A 64 3.974 -1.454 -10.352 1.00 0.00 C ATOM 885 C CYS A 64 5.062 -0.384 -10.530 1.00 0.00 C ATOM 886 O CYS A 64 6.166 -0.652 -10.962 1.00 0.00 O ATOM 887 CB CYS A 64 4.055 -2.538 -11.438 1.00 0.00 C ATOM 888 SG CYS A 64 2.716 -3.756 -11.382 1.00 0.00 S ATOM 0 H CYS A 64 2.543 -0.111 -11.194 1.00 0.00 H new ATOM 0 HA CYS A 64 4.128 -1.911 -9.374 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.051 -2.056 -12.416 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.008 -3.059 -11.344 1.00 0.00 H new ATOM 893 N ASN A 65 4.683 0.817 -10.177 1.00 0.00 N ATOM 894 CA ASN A 65 5.578 2.004 -10.267 1.00 0.00 C ATOM 895 C ASN A 65 6.476 2.040 -9.015 1.00 0.00 C ATOM 896 O ASN A 65 6.179 1.350 -8.059 1.00 0.00 O ATOM 897 CB ASN A 65 4.679 3.241 -10.346 1.00 0.00 C ATOM 898 CG ASN A 65 3.833 3.182 -11.615 1.00 0.00 C ATOM 899 OD1 ASN A 65 4.028 3.920 -12.560 1.00 0.00 O ATOM 900 ND2 ASN A 65 2.875 2.301 -11.656 1.00 0.00 N ATOM 0 H ASN A 65 3.753 1.028 -9.816 1.00 0.00 H new ATOM 0 HA ASN A 65 6.224 1.967 -11.144 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.034 3.290 -9.469 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.287 4.145 -10.345 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.284 2.228 -12.484 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.715 1.684 -10.860 1.00 0.00 H new ATOM 907 N PRO A 66 7.536 2.823 -9.032 1.00 0.00 N ATOM 908 CA PRO A 66 8.347 3.099 -7.806 1.00 0.00 C ATOM 909 C PRO A 66 7.448 3.599 -6.662 1.00 0.00 C ATOM 910 O PRO A 66 6.301 3.941 -6.882 1.00 0.00 O ATOM 911 CB PRO A 66 9.391 4.135 -8.222 1.00 0.00 C ATOM 912 CG PRO A 66 9.355 4.218 -9.759 1.00 0.00 C ATOM 913 CD PRO A 66 8.070 3.523 -10.239 1.00 0.00 C ATOM 0 HA PRO A 66 8.834 2.202 -7.424 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.169 5.106 -7.778 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.382 3.844 -7.875 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.371 5.258 -10.086 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.233 3.735 -10.188 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.352 4.245 -10.627 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.279 2.818 -11.044 1.00 0.00 H new ATOM 921 N PHE A 67 7.994 3.631 -5.472 1.00 0.00 N ATOM 922 CA PHE A 67 7.192 4.100 -4.300 1.00 0.00 C ATOM 923 C PHE A 67 6.910 5.609 -4.399 1.00 0.00 C ATOM 924 O PHE A 67 7.359 6.284 -5.306 1.00 0.00 O ATOM 925 CB PHE A 67 7.975 3.802 -2.993 1.00 0.00 C ATOM 926 CG PHE A 67 7.071 3.380 -1.803 1.00 0.00 C ATOM 927 CD1 PHE A 67 5.682 3.438 -1.827 1.00 0.00 C ATOM 928 CD2 PHE A 67 7.686 2.911 -0.653 1.00 0.00 C ATOM 929 CE1 PHE A 67 4.944 3.040 -0.738 1.00 0.00 C ATOM 930 CE2 PHE A 67 6.941 2.513 0.437 1.00 0.00 C ATOM 931 CZ PHE A 67 5.566 2.580 0.391 1.00 0.00 C ATOM 0 H PHE A 67 8.953 3.355 -5.262 1.00 0.00 H new ATOM 0 HA PHE A 67 6.239 3.571 -4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.698 3.010 -3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.542 4.689 -2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.178 3.800 -2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.764 2.856 -0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.866 3.091 -0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.435 2.149 1.326 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.980 2.270 1.244 1.00 0.00 H new ATOM 941 N GLY A 68 6.162 6.075 -3.437 1.00 0.00 N ATOM 942 CA GLY A 68 5.774 7.511 -3.349 1.00 0.00 C ATOM 943 C GLY A 68 5.348 7.831 -1.910 1.00 0.00 C ATOM 944 O GLY A 68 5.097 8.978 -1.591 1.00 0.00 O ATOM 0 H GLY A 68 5.791 5.498 -2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.611 8.145 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.957 7.722 -4.038 1.00 0.00 H new ATOM 948 N TRP A 69 5.278 6.809 -1.086 1.00 0.00 N ATOM 949 CA TRP A 69 4.872 6.992 0.343 1.00 0.00 C ATOM 950 C TRP A 69 5.703 6.041 1.224 1.00 0.00 C ATOM 951 O TRP A 69 6.743 5.581 0.791 1.00 0.00 O ATOM 952 CB TRP A 69 3.371 6.671 0.470 1.00 0.00 C ATOM 953 CG TRP A 69 2.602 7.317 -0.693 1.00 0.00 C ATOM 954 CD1 TRP A 69 2.101 8.586 -0.739 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.309 6.700 -1.870 1.00 0.00 C ATOM 956 NE1 TRP A 69 1.542 8.669 -1.923 1.00 0.00 N ATOM 957 CE2 TRP A 69 1.612 7.592 -2.677 1.00 0.00 C ATOM 958 CE3 TRP A 69 2.579 5.413 -2.329 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.191 7.195 -3.941 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.156 5.015 -3.590 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.460 5.908 -4.400 1.00 0.00 C ATOM 0 H TRP A 69 5.488 5.846 -1.348 1.00 0.00 H new ATOM 0 HA TRP A 69 5.049 8.017 0.668 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.219 5.592 0.464 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.989 7.042 1.421 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.153 9.348 0.025 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.079 9.520 -2.242 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.120 4.721 -1.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.653 7.888 -4.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.366 4.016 -3.941 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.129 5.603 -5.382 1.00 0.00 H new ATOM 972 N LYS A 70 5.237 5.768 2.424 1.00 0.00 N ATOM 973 CA LYS A 70 5.973 4.858 3.347 1.00 0.00 C ATOM 974 C LYS A 70 5.054 3.757 3.897 1.00 0.00 C ATOM 975 O LYS A 70 5.439 2.605 3.916 1.00 0.00 O ATOM 976 CB LYS A 70 6.540 5.694 4.511 1.00 0.00 C ATOM 977 CG LYS A 70 7.364 4.806 5.457 1.00 0.00 C ATOM 978 CD LYS A 70 8.614 4.233 4.735 1.00 0.00 C ATOM 979 CE LYS A 70 9.405 3.320 5.685 1.00 0.00 C ATOM 980 NZ LYS A 70 8.583 2.140 6.078 1.00 0.00 N ATOM 0 H LYS A 70 4.367 6.145 2.801 1.00 0.00 H new ATOM 0 HA LYS A 70 6.779 4.372 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.165 6.497 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.724 6.163 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.675 5.385 6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.745 3.988 5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.308 3.672 3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.249 5.049 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.322 2.987 5.199 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.700 3.878 6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.043 1.644 6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.638 2.458 6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.494 1.494 5.268 1.00 0.00 H new ATOM 994 N SER A 71 3.878 4.151 4.323 1.00 0.00 N ATOM 995 CA SER A 71 2.879 3.186 4.889 1.00 0.00 C ATOM 996 C SER A 71 1.532 3.244 4.174 1.00 0.00 C ATOM 997 O SER A 71 1.251 4.164 3.431 1.00 0.00 O ATOM 998 CB SER A 71 2.663 3.490 6.385 1.00 0.00 C ATOM 999 OG SER A 71 2.375 4.878 6.451 1.00 0.00 O ATOM 0 H SER A 71 3.561 5.120 4.302 1.00 0.00 H new ATOM 0 HA SER A 71 3.286 2.185 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.842 2.899 6.791 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.551 3.245 6.968 1.00 0.00 H new ATOM 0 HG SER A 71 3.112 5.344 6.899 1.00 0.00 H new ATOM 1005 N ILE A 72 0.751 2.231 4.447 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.610 2.092 3.855 1.00 0.00 C ATOM 1007 C ILE A 72 -1.653 1.894 4.954 1.00 0.00 C ATOM 1008 O ILE A 72 -1.525 1.015 5.782 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.615 0.893 2.891 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.017 0.731 2.275 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.218 -0.435 3.598 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.390 1.885 1.325 1.00 0.00 C ATOM 0 H ILE A 72 1.011 1.471 5.076 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.863 3.001 3.309 1.00 0.00 H new ATOM 0 HB ILE A 72 0.126 1.097 2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.062 -0.211 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.755 0.672 3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.236 -1.251 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.785 -0.340 4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.925 -0.645 4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.388 1.716 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.375 2.827 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.671 1.930 0.507 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.651 2.734 4.918 1.00 0.00 N ATOM 1025 CA PHE A 73 -3.760 2.674 5.911 1.00 0.00 C ATOM 1026 C PHE A 73 -4.971 2.093 5.174 1.00 0.00 C ATOM 1027 O PHE A 73 -5.181 2.380 4.012 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.051 4.096 6.420 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.315 4.103 7.301 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -6.562 4.264 6.719 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -5.231 3.951 8.674 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -7.702 4.272 7.493 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -6.373 3.959 9.449 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.610 4.120 8.859 1.00 0.00 C ATOM 0 H PHE A 73 -2.746 3.477 4.225 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.512 2.056 6.774 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.200 4.466 6.991 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.185 4.771 5.575 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.641 4.384 5.649 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.266 3.825 9.142 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.669 4.398 7.028 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.298 3.839 10.520 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.503 4.127 9.466 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.722 1.292 5.883 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.939 0.644 5.313 1.00 0.00 C ATOM 1046 C ILE A 74 -7.972 0.607 6.445 1.00 0.00 C ATOM 1047 O ILE A 74 -7.754 -0.027 7.461 1.00 0.00 O ATOM 1048 CB ILE A 74 -6.626 -0.818 4.838 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -5.446 -0.813 3.814 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -7.908 -1.404 4.177 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -5.153 -2.228 3.266 1.00 0.00 C ATOM 0 H ILE A 74 -5.537 1.055 6.858 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.301 1.197 4.446 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.332 -1.431 5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.686 -0.146 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.551 -0.417 4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.711 -2.421 3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.720 -1.414 4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.192 -0.787 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.326 -2.180 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.887 -2.889 4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.040 -2.614 2.763 1.00 0.00 H new ATOM 1063 N GLN A 75 -9.065 1.294 6.231 1.00 0.00 N ATOM 1064 CA GLN A 75 -10.149 1.330 7.262 1.00 0.00 C ATOM 1065 C GLN A 75 -10.925 0.009 7.283 1.00 0.00 C ATOM 1066 O GLN A 75 -10.853 -0.759 6.343 1.00 0.00 O ATOM 1067 CB GLN A 75 -11.117 2.486 6.968 1.00 0.00 C ATOM 1068 CG GLN A 75 -11.539 2.398 5.527 1.00 0.00 C ATOM 1069 CD GLN A 75 -12.713 3.339 5.264 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -12.553 4.505 4.965 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -13.916 2.849 5.372 1.00 0.00 N ATOM 0 H GLN A 75 -9.255 1.833 5.386 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.685 1.480 8.237 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.987 2.428 7.622 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.635 3.444 7.164 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.702 2.658 4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.823 1.374 5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.047 1.869 5.623 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.726 3.445 5.205 1.00 0.00 H new ATOM 1080 N CYS A 76 -11.639 -0.216 8.356 1.00 0.00 N ATOM 1081 CA CYS A 76 -12.440 -1.472 8.488 1.00 0.00 C ATOM 1082 C CYS A 76 -13.728 -1.214 9.289 1.00 0.00 C ATOM 1083 O CYS A 76 -14.711 -1.853 8.948 1.00 0.00 O ATOM 1084 CB CYS A 76 -11.590 -2.540 9.201 1.00 0.00 C ATOM 1085 SG CYS A 76 -11.105 -2.267 10.924 1.00 0.00 S ATOM 1086 OXT CYS A 76 -13.664 -0.397 10.195 1.00 0.00 O ATOM 0 H CYS A 76 -11.702 0.420 9.151 1.00 0.00 H new ATOM 0 HA CYS A 76 -12.718 -1.821 7.493 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.139 -3.480 9.159 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -10.678 -2.677 8.620 1.00 0.00 H new TER 1091 CYS A 76