USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=26 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 45 ASN :FLIP amide:sc= 0.0571 X(o=-0.45,f=0.034) USER MOD Set 1.2: A 46 GLN :FLIP amide:sc= -0.0233 F(o=-0.55,f=0.034) USER MOD Set 2.1: A 1 SER N :NH3+ 150:sc= 0.589 (180deg=0) USER MOD Set 2.2: A 1 SER OG : rot 173:sc= 1.65 USER MOD Set 2.3: A 37 THR OG1 : rot -59:sc= 0.423 USER MOD Set 2.4: A 39 GLN : amide:sc= -1.8! C(o=0.87!,f=-5.7!) USER MOD Set 3.1: A 27 HIS : no HE2:sc= -0.101 K(o=-3.8,f=-5.3) USER MOD Set 3.2: A 28 GLN :FLIP amide:sc= -3.67! C(o=-5.4!,f=-3.8!) USER MOD Set 4.1: A 7 SER OG : rot -18:sc= 0.972 USER MOD Set 4.2: A 13 ASN : amide:sc= -6.71 K(o=-5.7,f=-18!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.548 F(o=-2.6,f=-0.55) USER MOD Single : A 18 TYR OH : rot -35:sc= 0.927 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 0.582 (180deg=0.044) USER MOD Single : A 24 SER OG : rot 34:sc= 0.311 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot -79:sc= 0.474 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 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -49:sc= 0.476 USER MOD Single : A 54 HIS : no HE2:sc= -1.42 X(o=-1.4,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0359 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 35:sc= 0.318 USER MOD Single : A 65 ASN : amide:sc=-0.00978 X(o=-0.0098,f=-0.048) USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= -0.941 (180deg=-0.991) USER MOD Single : A 71 SER OG : rot -108:sc= 1.12 USER MOD Single : A 75 GLN : amide:sc= -0.22 K(o=-0.22,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.176 -5.501 2.031 1.00 0.00 N ATOM 2 CA SER A 1 -9.273 -5.036 0.937 1.00 0.00 C ATOM 3 C SER A 1 -7.800 -5.225 1.347 1.00 0.00 C ATOM 4 O SER A 1 -7.519 -5.485 2.503 1.00 0.00 O ATOM 5 CB SER A 1 -9.537 -3.560 0.655 1.00 0.00 C ATOM 6 OG SER A 1 -10.928 -3.506 0.373 1.00 0.00 O ATOM 0 H1 SER A 1 -11.058 -4.951 2.010 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.393 -6.509 1.897 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.706 -5.367 2.949 1.00 0.00 H new ATOM 0 HA SER A 1 -9.469 -5.623 0.040 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.279 -2.938 1.512 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.945 -3.203 -0.188 1.00 0.00 H new ATOM 0 HG SER A 1 -11.208 -2.571 0.284 1.00 0.00 H new ATOM 11 N ALA A 2 -6.897 -5.091 0.400 1.00 0.00 N ATOM 12 CA ALA A 2 -5.440 -5.264 0.723 1.00 0.00 C ATOM 13 C ALA A 2 -4.473 -4.658 -0.305 1.00 0.00 C ATOM 14 O ALA A 2 -4.749 -4.626 -1.489 1.00 0.00 O ATOM 15 CB ALA A 2 -5.135 -6.752 0.844 1.00 0.00 C ATOM 0 H ALA A 2 -7.103 -4.871 -0.574 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.278 -4.723 1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.079 -6.889 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.742 -7.184 1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.365 -7.248 -0.099 1.00 0.00 H new ATOM 21 N PHE A 3 -3.359 -4.198 0.214 1.00 0.00 N ATOM 22 CA PHE A 3 -2.276 -3.570 -0.606 1.00 0.00 C ATOM 23 C PHE A 3 -1.180 -4.614 -0.899 1.00 0.00 C ATOM 24 O PHE A 3 -0.438 -4.988 -0.012 1.00 0.00 O ATOM 25 CB PHE A 3 -1.765 -2.396 0.221 1.00 0.00 C ATOM 26 CG PHE A 3 -0.799 -1.447 -0.517 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.201 -0.760 -1.648 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.486 -1.252 -0.041 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.340 0.106 -2.288 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.345 -0.385 -0.684 1.00 0.00 C ATOM 31 CZ PHE A 3 0.933 0.295 -1.805 1.00 0.00 C ATOM 0 H PHE A 3 -3.150 -4.235 1.212 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.624 -3.218 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.621 -1.818 0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.261 -2.787 1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.200 -0.903 -2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.818 -1.782 0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.666 0.637 -3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.346 -0.240 -0.305 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.607 0.975 -2.305 1.00 0.00 H new ATOM 41 N THR A 4 -1.106 -5.053 -2.133 1.00 0.00 N ATOM 42 CA THR A 4 -0.082 -6.072 -2.537 1.00 0.00 C ATOM 43 C THR A 4 1.142 -5.330 -3.070 1.00 0.00 C ATOM 44 O THR A 4 0.999 -4.447 -3.890 1.00 0.00 O ATOM 45 CB THR A 4 -0.673 -6.974 -3.632 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.852 -7.516 -3.053 1.00 0.00 O ATOM 47 CG2 THR A 4 0.225 -8.202 -3.880 1.00 0.00 C ATOM 0 H THR A 4 -1.719 -4.745 -2.888 1.00 0.00 H new ATOM 0 HA THR A 4 0.203 -6.692 -1.687 1.00 0.00 H new ATOM 0 HB THR A 4 -0.805 -6.406 -4.553 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.291 -8.108 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.216 -8.824 -4.659 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.214 -7.871 -4.196 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.312 -8.781 -2.960 1.00 0.00 H new ATOM 55 N VAL A 5 2.306 -5.701 -2.598 1.00 0.00 N ATOM 56 CA VAL A 5 3.562 -5.025 -3.057 1.00 0.00 C ATOM 57 C VAL A 5 4.683 -6.038 -3.340 1.00 0.00 C ATOM 58 O VAL A 5 4.755 -7.070 -2.702 1.00 0.00 O ATOM 59 CB VAL A 5 3.990 -4.019 -1.952 1.00 0.00 C ATOM 60 CG1 VAL A 5 2.817 -3.065 -1.616 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.369 -4.774 -0.665 1.00 0.00 C ATOM 0 H VAL A 5 2.442 -6.444 -1.913 1.00 0.00 H new ATOM 0 HA VAL A 5 3.375 -4.503 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 5 4.844 -3.453 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.128 -2.365 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.530 -2.512 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.966 -3.646 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.667 -4.059 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.511 -5.347 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.198 -5.451 -0.871 1.00 0.00 H new ATOM 71 N TRP A 6 5.522 -5.706 -4.293 1.00 0.00 N ATOM 72 CA TRP A 6 6.662 -6.583 -4.682 1.00 0.00 C ATOM 73 C TRP A 6 7.985 -5.850 -4.368 1.00 0.00 C ATOM 74 O TRP A 6 7.990 -4.642 -4.220 1.00 0.00 O ATOM 75 CB TRP A 6 6.490 -6.881 -6.176 1.00 0.00 C ATOM 76 CG TRP A 6 5.157 -7.624 -6.421 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.020 -8.978 -6.565 1.00 0.00 C ATOM 78 CD2 TRP A 6 3.915 -7.061 -6.537 1.00 0.00 C ATOM 79 NE1 TRP A 6 3.739 -9.164 -6.759 1.00 0.00 N ATOM 80 CE2 TRP A 6 2.992 -8.084 -6.760 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.467 -5.742 -6.477 1.00 0.00 C ATOM 82 CZ2 TRP A 6 1.643 -7.792 -6.921 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.118 -5.455 -6.638 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.207 -6.480 -6.861 1.00 0.00 C ATOM 0 H TRP A 6 5.458 -4.840 -4.828 1.00 0.00 H new ATOM 0 HA TRP A 6 6.685 -7.523 -4.130 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.506 -5.951 -6.744 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.323 -7.487 -6.532 1.00 0.00 H new ATOM 0 HD1 TRP A 6 5.797 -9.727 -6.527 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.344 -10.094 -6.901 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.171 -4.941 -6.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 0.935 -8.589 -7.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.776 -4.432 -6.590 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.159 -6.253 -6.988 1.00 0.00 H new ATOM 95 N SER A 7 9.071 -6.586 -4.274 1.00 0.00 N ATOM 96 CA SER A 7 10.404 -5.971 -3.969 1.00 0.00 C ATOM 97 C SER A 7 10.979 -5.109 -5.103 1.00 0.00 C ATOM 98 O SER A 7 11.959 -4.416 -4.903 1.00 0.00 O ATOM 99 CB SER A 7 11.377 -7.110 -3.620 1.00 0.00 C ATOM 100 OG SER A 7 11.602 -7.823 -4.829 1.00 0.00 O ATOM 0 H SER A 7 9.089 -7.598 -4.397 1.00 0.00 H new ATOM 0 HA SER A 7 10.266 -5.283 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.311 -6.715 -3.221 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.955 -7.763 -2.856 1.00 0.00 H new ATOM 0 HG SER A 7 10.896 -7.606 -5.473 1.00 0.00 H new ATOM 106 N GLY A 8 10.357 -5.174 -6.252 1.00 0.00 N ATOM 107 CA GLY A 8 10.816 -4.382 -7.435 1.00 0.00 C ATOM 108 C GLY A 8 11.471 -5.277 -8.493 1.00 0.00 C ATOM 109 O GLY A 8 12.004 -6.316 -8.153 1.00 0.00 O ATOM 0 H GLY A 8 9.535 -5.753 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.967 -3.859 -7.875 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.526 -3.621 -7.111 1.00 0.00 H new ATOM 113 N PRO A 9 11.432 -4.864 -9.742 1.00 0.00 N ATOM 114 CA PRO A 9 11.157 -3.464 -10.194 1.00 0.00 C ATOM 115 C PRO A 9 9.653 -3.144 -10.167 1.00 0.00 C ATOM 116 O PRO A 9 9.205 -2.290 -9.424 1.00 0.00 O ATOM 117 CB PRO A 9 11.757 -3.385 -11.597 1.00 0.00 C ATOM 118 CG PRO A 9 11.927 -4.842 -12.088 1.00 0.00 C ATOM 119 CD PRO A 9 11.664 -5.782 -10.893 1.00 0.00 C ATOM 0 HA PRO A 9 11.600 -2.719 -9.534 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.105 -2.824 -12.266 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.716 -2.868 -11.580 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.231 -5.054 -12.900 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.932 -4.997 -12.481 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.799 -6.420 -11.073 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.513 -6.440 -10.711 1.00 0.00 H new ATOM 127 N GLY A 10 8.931 -3.851 -10.995 1.00 0.00 N ATOM 128 CA GLY A 10 7.460 -3.671 -11.096 1.00 0.00 C ATOM 129 C GLY A 10 6.761 -4.529 -10.042 1.00 0.00 C ATOM 130 O GLY A 10 7.300 -4.805 -8.987 1.00 0.00 O ATOM 0 H GLY A 10 9.312 -4.562 -11.619 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.202 -2.622 -10.954 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.117 -3.951 -12.092 1.00 0.00 H new ATOM 134 N CYS A 11 5.566 -4.920 -10.392 1.00 0.00 N ATOM 135 CA CYS A 11 4.700 -5.767 -9.520 1.00 0.00 C ATOM 136 C CYS A 11 4.905 -7.247 -9.864 1.00 0.00 C ATOM 137 O CYS A 11 3.972 -8.026 -9.933 1.00 0.00 O ATOM 138 CB CYS A 11 3.266 -5.321 -9.767 1.00 0.00 C ATOM 139 SG CYS A 11 2.885 -4.942 -11.494 1.00 0.00 S ATOM 0 H CYS A 11 5.137 -4.676 -11.285 1.00 0.00 H new ATOM 0 HA CYS A 11 4.948 -5.653 -8.465 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.591 -6.104 -9.423 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.064 -4.438 -9.161 1.00 0.00 H new ATOM 144 N ASN A 12 6.152 -7.575 -10.066 1.00 0.00 N ATOM 145 CA ASN A 12 6.558 -8.968 -10.420 1.00 0.00 C ATOM 146 C ASN A 12 7.583 -9.344 -9.352 1.00 0.00 C ATOM 147 O ASN A 12 7.273 -9.191 -8.191 1.00 0.00 O ATOM 148 CB ASN A 12 7.143 -8.913 -11.852 1.00 0.00 C ATOM 149 CG ASN A 12 6.090 -8.286 -12.784 1.00 0.00 C ATOM 150 OD1 ASN A 12 5.846 -7.004 -12.686 1.00 0.00 O flip ATOM 151 ND2 ASN A 12 5.483 -8.951 -13.599 1.00 0.00 N flip ATOM 0 H ASN A 12 6.929 -6.917 -9.999 1.00 0.00 H new ATOM 0 HA ASN A 12 5.759 -9.710 -10.431 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.060 -8.323 -11.865 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.404 -9.915 -12.194 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.668 -9.951 -13.681 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.788 -8.510 -14.202 1.00 0.00 H new ATOM 158 N ASN A 13 8.747 -9.816 -9.730 1.00 0.00 N ATOM 159 CA ASN A 13 9.805 -10.199 -8.732 1.00 0.00 C ATOM 160 C ASN A 13 9.238 -10.881 -7.456 1.00 0.00 C ATOM 161 O ASN A 13 8.307 -11.659 -7.548 1.00 0.00 O ATOM 162 CB ASN A 13 10.577 -8.883 -8.407 1.00 0.00 C ATOM 163 CG ASN A 13 9.668 -7.879 -7.666 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.587 -7.904 -6.461 1.00 0.00 O ATOM 165 ND2 ASN A 13 8.965 -6.984 -8.310 1.00 0.00 N ATOM 0 H ASN A 13 9.016 -9.955 -10.704 1.00 0.00 H new ATOM 0 HA ASN A 13 10.465 -10.958 -9.153 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.449 -9.110 -7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.944 -8.435 -9.330 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.371 -6.334 -7.794 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.010 -6.936 -9.328 1.00 0.00 H new ATOM 172 N ARG A 14 9.809 -10.581 -6.311 1.00 0.00 N ATOM 173 CA ARG A 14 9.330 -11.179 -5.024 1.00 0.00 C ATOM 174 C ARG A 14 7.963 -10.554 -4.706 1.00 0.00 C ATOM 175 O ARG A 14 7.777 -9.374 -4.924 1.00 0.00 O ATOM 176 CB ARG A 14 10.333 -10.849 -3.896 1.00 0.00 C ATOM 177 CG ARG A 14 9.776 -11.303 -2.525 1.00 0.00 C ATOM 178 CD ARG A 14 10.728 -10.864 -1.405 1.00 0.00 C ATOM 179 NE ARG A 14 10.083 -11.221 -0.102 1.00 0.00 N ATOM 180 CZ ARG A 14 10.330 -10.561 1.003 1.00 0.00 C ATOM 181 NH1 ARG A 14 11.161 -9.552 1.014 1.00 0.00 N ATOM 182 NH2 ARG A 14 9.717 -10.942 2.089 1.00 0.00 N ATOM 0 H ARG A 14 10.596 -9.939 -6.214 1.00 0.00 H new ATOM 0 HA ARG A 14 9.246 -12.263 -5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.284 -11.344 -4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.530 -9.777 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.787 -10.873 -2.364 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.659 -12.387 -2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.693 -11.362 -1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.915 -9.792 -1.459 1.00 0.00 H new ATOM 0 HE ARG A 14 9.430 -12.004 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.629 -9.267 0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.342 -9.049 1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.070 -11.730 2.060 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.884 -10.452 2.968 1.00 0.00 H new ATOM 196 N ALA A 15 7.061 -11.358 -4.204 1.00 0.00 N ATOM 197 CA ALA A 15 5.693 -10.861 -3.855 1.00 0.00 C ATOM 198 C ALA A 15 5.513 -10.754 -2.337 1.00 0.00 C ATOM 199 O ALA A 15 6.085 -11.518 -1.583 1.00 0.00 O ATOM 200 CB ALA A 15 4.656 -11.830 -4.438 1.00 0.00 C ATOM 0 H ALA A 15 7.215 -12.349 -4.018 1.00 0.00 H new ATOM 0 HA ALA A 15 5.558 -9.865 -4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.653 -11.481 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.769 -11.875 -5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.808 -12.823 -4.016 1.00 0.00 H new ATOM 206 N GLU A 16 4.713 -9.792 -1.950 1.00 0.00 N ATOM 207 CA GLU A 16 4.422 -9.547 -0.504 1.00 0.00 C ATOM 208 C GLU A 16 3.045 -8.862 -0.420 1.00 0.00 C ATOM 209 O GLU A 16 2.519 -8.415 -1.422 1.00 0.00 O ATOM 210 CB GLU A 16 5.551 -8.652 0.079 1.00 0.00 C ATOM 211 CG GLU A 16 5.437 -8.616 1.622 1.00 0.00 C ATOM 212 CD GLU A 16 6.701 -7.981 2.227 1.00 0.00 C ATOM 213 OE1 GLU A 16 7.705 -8.677 2.232 1.00 0.00 O ATOM 214 OE2 GLU A 16 6.599 -6.840 2.649 1.00 0.00 O ATOM 0 H GLU A 16 4.240 -9.153 -2.589 1.00 0.00 H new ATOM 0 HA GLU A 16 4.393 -10.470 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.526 -9.041 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.475 -7.643 -0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.556 -8.045 1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.306 -9.627 2.009 1.00 0.00 H new ATOM 221 N ARG A 17 2.499 -8.800 0.771 1.00 0.00 N ATOM 222 CA ARG A 17 1.157 -8.163 0.968 1.00 0.00 C ATOM 223 C ARG A 17 1.091 -7.327 2.257 1.00 0.00 C ATOM 224 O ARG A 17 1.868 -7.512 3.174 1.00 0.00 O ATOM 225 CB ARG A 17 0.125 -9.314 0.979 1.00 0.00 C ATOM 226 CG ARG A 17 -1.335 -8.821 1.082 1.00 0.00 C ATOM 227 CD ARG A 17 -2.246 -10.065 1.054 1.00 0.00 C ATOM 228 NE ARG A 17 -3.667 -9.628 1.191 1.00 0.00 N ATOM 229 CZ ARG A 17 -4.644 -10.497 1.271 1.00 0.00 C ATOM 230 NH1 ARG A 17 -4.397 -11.779 1.234 1.00 0.00 N ATOM 231 NH2 ARG A 17 -5.862 -10.046 1.391 1.00 0.00 N ATOM 0 H ARG A 17 2.928 -9.166 1.621 1.00 0.00 H new ATOM 0 HA ARG A 17 0.948 -7.458 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.239 -9.904 0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.338 -9.976 1.818 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.485 -8.256 2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.573 -8.152 0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.108 -10.612 0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.981 -10.744 1.864 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.882 -8.631 1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.437 -12.111 1.142 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.164 -12.448 1.297 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.033 -9.041 1.420 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.643 -10.698 1.456 1.00 0.00 H new ATOM 245 N TYR A 18 0.139 -6.427 2.255 1.00 0.00 N ATOM 246 CA TYR A 18 -0.116 -5.504 3.403 1.00 0.00 C ATOM 247 C TYR A 18 -1.630 -5.326 3.535 1.00 0.00 C ATOM 248 O TYR A 18 -2.211 -4.392 3.019 1.00 0.00 O ATOM 249 CB TYR A 18 0.562 -4.132 3.141 1.00 0.00 C ATOM 250 CG TYR A 18 2.061 -4.237 3.450 1.00 0.00 C ATOM 251 CD1 TYR A 18 2.960 -4.621 2.480 1.00 0.00 C ATOM 252 CD2 TYR A 18 2.527 -3.945 4.718 1.00 0.00 C ATOM 253 CE1 TYR A 18 4.304 -4.713 2.771 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.871 -4.038 5.009 1.00 0.00 C ATOM 255 CZ TYR A 18 4.769 -4.422 4.037 1.00 0.00 C ATOM 256 OH TYR A 18 6.114 -4.515 4.328 1.00 0.00 O ATOM 0 H TYR A 18 -0.498 -6.290 1.470 1.00 0.00 H new ATOM 0 HA TYR A 18 0.297 -5.918 4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.413 -3.833 2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.104 -3.363 3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.610 -4.852 1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.832 -3.641 5.487 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.999 -5.015 2.002 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.222 -3.809 6.004 1.00 0.00 H new ATOM 0 HH TYR A 18 6.505 -5.264 3.831 1.00 0.00 H new ATOM 266 N SER A 19 -2.211 -6.264 4.237 1.00 0.00 N ATOM 267 CA SER A 19 -3.686 -6.272 4.484 1.00 0.00 C ATOM 268 C SER A 19 -3.964 -6.034 5.979 1.00 0.00 C ATOM 269 O SER A 19 -5.050 -6.304 6.456 1.00 0.00 O ATOM 270 CB SER A 19 -4.243 -7.637 4.035 1.00 0.00 C ATOM 271 OG SER A 19 -3.553 -8.594 4.827 1.00 0.00 O ATOM 0 H SER A 19 -1.712 -7.046 4.661 1.00 0.00 H new ATOM 0 HA SER A 19 -4.173 -5.477 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.320 -7.696 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.068 -7.804 2.972 1.00 0.00 H new ATOM 0 HG SER A 19 -3.861 -9.495 4.594 1.00 0.00 H new ATOM 277 N LYS A 20 -2.969 -5.532 6.671 1.00 0.00 N ATOM 278 CA LYS A 20 -3.122 -5.261 8.132 1.00 0.00 C ATOM 279 C LYS A 20 -4.200 -4.201 8.394 1.00 0.00 C ATOM 280 O LYS A 20 -4.185 -3.121 7.835 1.00 0.00 O ATOM 281 CB LYS A 20 -1.767 -4.781 8.707 1.00 0.00 C ATOM 282 CG LYS A 20 -1.914 -4.550 10.236 1.00 0.00 C ATOM 283 CD LYS A 20 -0.555 -4.166 10.861 1.00 0.00 C ATOM 284 CE LYS A 20 -0.743 -3.873 12.361 1.00 0.00 C ATOM 285 NZ LYS A 20 -1.674 -2.722 12.553 1.00 0.00 N ATOM 0 H LYS A 20 -2.055 -5.298 6.283 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.432 -6.184 8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.992 -5.523 8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.456 -3.859 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.642 -3.760 10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.296 -5.454 10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.162 -4.976 10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.146 -3.290 10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.137 -4.756 12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.221 -3.650 12.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.549 -2.330 13.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.467 -1.987 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.655 -3.046 12.438 1.00 0.00 H new ATOM 299 N CYS A 21 -5.102 -4.586 9.255 1.00 0.00 N ATOM 300 CA CYS A 21 -6.237 -3.712 9.656 1.00 0.00 C ATOM 301 C CYS A 21 -5.726 -2.597 10.572 1.00 0.00 C ATOM 302 O CYS A 21 -5.187 -2.868 11.628 1.00 0.00 O ATOM 303 CB CYS A 21 -7.263 -4.614 10.351 1.00 0.00 C ATOM 304 SG CYS A 21 -8.189 -5.687 9.226 1.00 0.00 S ATOM 0 H CYS A 21 -5.097 -5.499 9.710 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.704 -3.223 8.801 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.747 -5.234 11.084 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.967 -3.989 10.900 1.00 0.00 H new ATOM 309 N GLY A 22 -5.916 -1.380 10.126 1.00 0.00 N ATOM 310 CA GLY A 22 -5.465 -0.200 10.921 1.00 0.00 C ATOM 311 C GLY A 22 -4.353 0.561 10.198 1.00 0.00 C ATOM 312 O GLY A 22 -4.645 1.348 9.319 1.00 0.00 O ATOM 0 H GLY A 22 -6.367 -1.154 9.240 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.309 0.466 11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.108 -0.530 11.897 1.00 0.00 H new ATOM 316 N CYS A 23 -3.122 0.307 10.582 1.00 0.00 N ATOM 317 CA CYS A 23 -1.945 0.999 9.951 1.00 0.00 C ATOM 318 C CYS A 23 -0.739 0.058 9.787 1.00 0.00 C ATOM 319 O CYS A 23 -0.535 -0.820 10.603 1.00 0.00 O ATOM 320 CB CYS A 23 -1.581 2.187 10.846 1.00 0.00 C ATOM 321 SG CYS A 23 -2.923 3.355 11.173 1.00 0.00 S ATOM 0 H CYS A 23 -2.878 -0.359 11.315 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.212 1.330 8.947 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.216 1.803 11.799 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.756 2.729 10.384 1.00 0.00 H new ATOM 326 N SER A 24 0.023 0.273 8.737 1.00 0.00 N ATOM 327 CA SER A 24 1.230 -0.580 8.473 1.00 0.00 C ATOM 328 C SER A 24 2.240 0.086 7.520 1.00 0.00 C ATOM 329 O SER A 24 1.883 0.507 6.438 1.00 0.00 O ATOM 330 CB SER A 24 0.779 -1.926 7.863 1.00 0.00 C ATOM 331 OG SER A 24 0.070 -1.584 6.679 1.00 0.00 O ATOM 0 H SER A 24 -0.141 1.007 8.048 1.00 0.00 H new ATOM 0 HA SER A 24 1.732 -0.728 9.429 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.635 -2.562 7.639 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.144 -2.478 8.556 1.00 0.00 H new ATOM 0 HG SER A 24 0.477 -0.791 6.272 1.00 0.00 H new ATOM 337 N ALA A 25 3.475 0.159 7.956 1.00 0.00 N ATOM 338 CA ALA A 25 4.554 0.779 7.123 1.00 0.00 C ATOM 339 C ALA A 25 5.016 -0.248 6.077 1.00 0.00 C ATOM 340 O ALA A 25 5.363 -1.362 6.420 1.00 0.00 O ATOM 341 CB ALA A 25 5.720 1.171 8.030 1.00 0.00 C ATOM 0 H ALA A 25 3.785 -0.189 8.864 1.00 0.00 H new ATOM 0 HA ALA A 25 4.184 1.670 6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.511 1.623 7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.376 1.887 8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.107 0.283 8.530 1.00 0.00 H new ATOM 347 N ILE A 26 5.004 0.160 4.831 1.00 0.00 N ATOM 348 CA ILE A 26 5.430 -0.754 3.726 1.00 0.00 C ATOM 349 C ILE A 26 6.965 -0.804 3.658 1.00 0.00 C ATOM 350 O ILE A 26 7.630 0.210 3.754 1.00 0.00 O ATOM 351 CB ILE A 26 4.847 -0.234 2.378 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.304 -0.013 2.517 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.108 -1.279 1.265 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.998 1.495 2.497 1.00 0.00 C ATOM 0 H ILE A 26 4.716 1.091 4.531 1.00 0.00 H new ATOM 0 HA ILE A 26 5.056 -1.760 3.914 1.00 0.00 H new ATOM 0 HB ILE A 26 5.329 0.709 2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.779 -0.512 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.945 -0.456 3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.700 -0.916 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.181 -1.438 1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.626 -2.220 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.923 1.650 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.511 1.981 3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.343 1.924 1.556 1.00 0.00 H new ATOM 366 N HIS A 27 7.460 -2.004 3.490 1.00 0.00 N ATOM 367 CA HIS A 27 8.932 -2.262 3.402 1.00 0.00 C ATOM 368 C HIS A 27 9.384 -2.452 1.945 1.00 0.00 C ATOM 369 O HIS A 27 10.371 -1.882 1.521 1.00 0.00 O ATOM 370 CB HIS A 27 9.235 -3.523 4.231 1.00 0.00 C ATOM 371 CG HIS A 27 10.704 -3.926 4.077 1.00 0.00 C ATOM 372 ND1 HIS A 27 11.164 -4.648 3.109 1.00 0.00 N ATOM 373 CD2 HIS A 27 11.813 -3.648 4.858 1.00 0.00 C ATOM 374 CE1 HIS A 27 12.440 -4.814 3.258 1.00 0.00 C ATOM 375 NE2 HIS A 27 12.885 -4.209 4.333 1.00 0.00 N ATOM 0 H HIS A 27 6.886 -2.843 3.407 1.00 0.00 H new ATOM 0 HA HIS A 27 9.480 -1.404 3.792 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.011 -3.337 5.281 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.592 -4.341 3.908 1.00 0.00 H new ATOM 0 HD1 HIS A 27 10.607 -5.029 2.344 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.802 -3.059 5.763 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.061 -5.381 2.580 1.00 0.00 H new ATOM 383 N GLN A 28 8.629 -3.257 1.242 1.00 0.00 N ATOM 384 CA GLN A 28 8.900 -3.575 -0.197 1.00 0.00 C ATOM 385 C GLN A 28 9.086 -2.301 -1.043 1.00 0.00 C ATOM 386 O GLN A 28 8.129 -1.666 -1.438 1.00 0.00 O ATOM 387 CB GLN A 28 7.701 -4.438 -0.691 1.00 0.00 C ATOM 388 CG GLN A 28 8.129 -5.886 -1.046 1.00 0.00 C ATOM 389 CD GLN A 28 8.817 -6.647 0.104 1.00 0.00 C ATOM 390 OE1 GLN A 28 8.912 -6.130 1.299 1.00 0.00 O flip ATOM 391 NE2 GLN A 28 9.287 -7.749 -0.089 1.00 0.00 N flip ATOM 0 H GLN A 28 7.805 -3.725 1.619 1.00 0.00 H new ATOM 0 HA GLN A 28 9.837 -4.123 -0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.933 -4.467 0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.254 -3.968 -1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.248 -6.446 -1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.806 -5.853 -1.900 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.226 -8.175 -1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.743 -8.250 0.674 1.00 0.00 H new ATOM 400 N LYS A 29 10.332 -1.977 -1.288 1.00 0.00 N ATOM 401 CA LYS A 29 10.694 -0.771 -2.090 1.00 0.00 C ATOM 402 C LYS A 29 10.793 -1.177 -3.567 1.00 0.00 C ATOM 403 O LYS A 29 11.854 -1.211 -4.161 1.00 0.00 O ATOM 404 CB LYS A 29 12.046 -0.217 -1.546 1.00 0.00 C ATOM 405 CG LYS A 29 12.495 1.075 -2.300 1.00 0.00 C ATOM 406 CD LYS A 29 11.436 2.199 -2.177 1.00 0.00 C ATOM 407 CE LYS A 29 11.925 3.446 -2.934 1.00 0.00 C ATOM 408 NZ LYS A 29 10.892 4.517 -2.859 1.00 0.00 N ATOM 0 H LYS A 29 11.133 -2.514 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 29 9.941 0.013 -2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.947 -0.000 -0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.817 -0.981 -1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.445 1.423 -1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.662 0.844 -3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.483 1.862 -2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.266 2.440 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.862 3.800 -2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.127 3.195 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.226 5.358 -3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.008 4.178 -3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.720 4.764 -1.864 1.00 0.00 H new ATOM 422 N GLY A 30 9.644 -1.486 -4.105 1.00 0.00 N ATOM 423 CA GLY A 30 9.569 -1.900 -5.538 1.00 0.00 C ATOM 424 C GLY A 30 8.191 -1.655 -6.144 1.00 0.00 C ATOM 425 O GLY A 30 7.823 -0.527 -6.411 1.00 0.00 O ATOM 0 H GLY A 30 8.751 -1.470 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.317 -1.352 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.816 -2.958 -5.621 1.00 0.00 H new ATOM 429 N GLY A 31 7.474 -2.733 -6.345 1.00 0.00 N ATOM 430 CA GLY A 31 6.105 -2.644 -6.931 1.00 0.00 C ATOM 431 C GLY A 31 5.056 -2.500 -5.836 1.00 0.00 C ATOM 432 O GLY A 31 5.306 -2.821 -4.689 1.00 0.00 O ATOM 0 H GLY A 31 7.784 -3.680 -6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.049 -1.792 -7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.899 -3.536 -7.523 1.00 0.00 H new ATOM 436 N TYR A 32 3.910 -2.013 -6.238 1.00 0.00 N ATOM 437 CA TYR A 32 2.784 -1.815 -5.279 1.00 0.00 C ATOM 438 C TYR A 32 1.462 -2.034 -6.016 1.00 0.00 C ATOM 439 O TYR A 32 1.402 -1.951 -7.228 1.00 0.00 O ATOM 440 CB TYR A 32 2.804 -0.386 -4.707 1.00 0.00 C ATOM 441 CG TYR A 32 4.193 -0.030 -4.164 1.00 0.00 C ATOM 442 CD1 TYR A 32 4.594 -0.412 -2.903 1.00 0.00 C ATOM 443 CD2 TYR A 32 5.070 0.682 -4.950 1.00 0.00 C ATOM 444 CE1 TYR A 32 5.847 -0.089 -2.439 1.00 0.00 C ATOM 445 CE2 TYR A 32 6.322 1.006 -4.487 1.00 0.00 C ATOM 446 CZ TYR A 32 6.721 0.623 -3.229 1.00 0.00 C ATOM 447 OH TYR A 32 7.980 0.954 -2.777 1.00 0.00 O ATOM 0 H TYR A 32 3.705 -1.742 -7.200 1.00 0.00 H new ATOM 0 HA TYR A 32 2.889 -2.525 -4.459 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.520 0.324 -5.484 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.065 -0.299 -3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.918 -0.971 -2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.771 0.989 -5.941 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.148 -0.396 -1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.998 1.566 -5.116 1.00 0.00 H new ATOM 0 HH TYR A 32 7.919 1.726 -2.176 1.00 0.00 H new ATOM 457 N ASP A 33 0.441 -2.315 -5.253 1.00 0.00 N ATOM 458 CA ASP A 33 -0.914 -2.554 -5.822 1.00 0.00 C ATOM 459 C ASP A 33 -1.910 -2.600 -4.674 1.00 0.00 C ATOM 460 O ASP A 33 -1.528 -2.825 -3.545 1.00 0.00 O ATOM 461 CB ASP A 33 -0.956 -3.911 -6.571 1.00 0.00 C ATOM 462 CG ASP A 33 -2.410 -4.329 -6.903 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.072 -3.582 -7.605 1.00 0.00 O ATOM 464 OD2 ASP A 33 -2.784 -5.387 -6.425 1.00 0.00 O ATOM 0 H ASP A 33 0.492 -2.390 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.158 -1.756 -6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.378 -3.838 -7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.485 -4.681 -5.959 1.00 0.00 H new ATOM 469 N PHE A 34 -3.151 -2.383 -5.009 1.00 0.00 N ATOM 470 CA PHE A 34 -4.233 -2.409 -3.993 1.00 0.00 C ATOM 471 C PHE A 34 -5.384 -3.203 -4.596 1.00 0.00 C ATOM 472 O PHE A 34 -5.466 -3.363 -5.800 1.00 0.00 O ATOM 473 CB PHE A 34 -4.701 -0.986 -3.667 1.00 0.00 C ATOM 474 CG PHE A 34 -5.642 -1.092 -2.453 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.115 -1.319 -1.196 1.00 0.00 C ATOM 476 CD2 PHE A 34 -7.013 -0.975 -2.592 1.00 0.00 C ATOM 477 CE1 PHE A 34 -5.935 -1.429 -0.097 1.00 0.00 C ATOM 478 CE2 PHE A 34 -7.834 -1.083 -1.492 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.297 -1.310 -0.247 1.00 0.00 C ATOM 0 H PHE A 34 -3.463 -2.186 -5.960 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.878 -2.862 -3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.851 -0.342 -3.442 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.218 -0.545 -4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.046 -1.411 -1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.441 -0.798 -3.567 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.511 -1.608 0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.904 -0.989 -1.608 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.945 -1.395 0.613 1.00 0.00 H new ATOM 489 N SER A 35 -6.236 -3.677 -3.728 1.00 0.00 N ATOM 490 CA SER A 35 -7.409 -4.471 -4.178 1.00 0.00 C ATOM 491 C SER A 35 -8.563 -4.198 -3.226 1.00 0.00 C ATOM 492 O SER A 35 -8.736 -4.848 -2.213 1.00 0.00 O ATOM 493 CB SER A 35 -7.021 -5.964 -4.177 1.00 0.00 C ATOM 494 OG SER A 35 -8.188 -6.631 -4.637 1.00 0.00 O ATOM 0 H SER A 35 -6.167 -3.546 -2.719 1.00 0.00 H new ATOM 0 HA SER A 35 -7.715 -4.195 -5.187 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.170 -6.154 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.738 -6.301 -3.180 1.00 0.00 H new ATOM 0 HG SER A 35 -8.022 -7.596 -4.667 1.00 0.00 H new ATOM 500 N TYR A 36 -9.314 -3.208 -3.622 1.00 0.00 N ATOM 501 CA TYR A 36 -10.502 -2.770 -2.846 1.00 0.00 C ATOM 502 C TYR A 36 -11.581 -3.859 -2.970 1.00 0.00 C ATOM 503 O TYR A 36 -11.643 -4.551 -3.968 1.00 0.00 O ATOM 504 CB TYR A 36 -10.959 -1.445 -3.441 1.00 0.00 C ATOM 505 CG TYR A 36 -12.248 -0.950 -2.761 1.00 0.00 C ATOM 506 CD1 TYR A 36 -13.491 -1.396 -3.173 1.00 0.00 C ATOM 507 CD2 TYR A 36 -12.177 -0.049 -1.720 1.00 0.00 C ATOM 508 CE1 TYR A 36 -14.638 -0.945 -2.553 1.00 0.00 C ATOM 509 CE2 TYR A 36 -13.323 0.400 -1.100 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.560 -0.044 -1.512 1.00 0.00 C ATOM 511 OH TYR A 36 -15.704 0.411 -0.888 1.00 0.00 O ATOM 0 H TYR A 36 -9.147 -2.672 -4.474 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.287 -2.628 -1.787 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.173 -0.699 -3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.130 -1.563 -4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -13.564 -2.103 -3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.214 0.309 -1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -15.603 -1.300 -2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -13.251 1.105 -0.285 1.00 0.00 H new ATOM 0 HH TYR A 36 -15.461 1.039 -0.176 1.00 0.00 H new ATOM 521 N THR A 37 -12.395 -3.974 -1.953 1.00 0.00 N ATOM 522 CA THR A 37 -13.492 -4.999 -1.950 1.00 0.00 C ATOM 523 C THR A 37 -14.733 -4.358 -1.331 1.00 0.00 C ATOM 524 O THR A 37 -15.859 -4.617 -1.712 1.00 0.00 O ATOM 525 CB THR A 37 -13.054 -6.229 -1.111 1.00 0.00 C ATOM 526 OG1 THR A 37 -12.711 -5.718 0.172 1.00 0.00 O ATOM 527 CG2 THR A 37 -11.756 -6.859 -1.647 1.00 0.00 C ATOM 0 H THR A 37 -12.349 -3.397 -1.113 1.00 0.00 H new ATOM 0 HA THR A 37 -13.708 -5.332 -2.965 1.00 0.00 H new ATOM 0 HB THR A 37 -13.854 -6.969 -1.124 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.987 -5.064 0.081 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.486 -7.716 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.908 -7.185 -2.676 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.954 -6.122 -1.615 1.00 0.00 H new ATOM 535 N GLY A 38 -14.435 -3.526 -0.374 1.00 0.00 N ATOM 536 CA GLY A 38 -15.450 -2.770 0.392 1.00 0.00 C ATOM 537 C GLY A 38 -14.721 -1.810 1.336 1.00 0.00 C ATOM 538 O GLY A 38 -15.333 -0.930 1.909 1.00 0.00 O ATOM 0 H GLY A 38 -13.477 -3.334 -0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.102 -2.216 -0.284 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.084 -3.452 0.959 1.00 0.00 H new ATOM 542 N GLN A 39 -13.428 -2.018 1.462 1.00 0.00 N ATOM 543 CA GLN A 39 -12.586 -1.169 2.348 1.00 0.00 C ATOM 544 C GLN A 39 -11.584 -0.312 1.587 1.00 0.00 C ATOM 545 O GLN A 39 -10.809 -0.796 0.785 1.00 0.00 O ATOM 546 CB GLN A 39 -11.821 -2.058 3.336 1.00 0.00 C ATOM 547 CG GLN A 39 -12.826 -2.789 4.235 1.00 0.00 C ATOM 548 CD GLN A 39 -13.533 -3.922 3.470 1.00 0.00 C ATOM 549 OE1 GLN A 39 -12.916 -4.717 2.790 1.00 0.00 O ATOM 550 NE2 GLN A 39 -14.831 -4.025 3.554 1.00 0.00 N ATOM 0 H GLN A 39 -12.919 -2.756 0.976 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.266 -0.493 2.867 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.206 -2.778 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.146 -1.453 3.941 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.310 -3.199 5.103 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.566 -2.081 4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.359 -3.363 4.122 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.317 -4.768 3.052 1.00 0.00 H new ATOM 559 N THR A 40 -11.646 0.957 1.883 1.00 0.00 N ATOM 560 CA THR A 40 -10.729 1.944 1.230 1.00 0.00 C ATOM 561 C THR A 40 -9.391 1.875 1.975 1.00 0.00 C ATOM 562 O THR A 40 -9.303 1.268 3.027 1.00 0.00 O ATOM 563 CB THR A 40 -11.347 3.358 1.344 1.00 0.00 C ATOM 564 OG1 THR A 40 -12.633 3.241 0.749 1.00 0.00 O ATOM 565 CG2 THR A 40 -10.634 4.393 0.446 1.00 0.00 C ATOM 0 H THR A 40 -12.298 1.360 2.556 1.00 0.00 H new ATOM 0 HA THR A 40 -10.581 1.722 0.173 1.00 0.00 H new ATOM 0 HB THR A 40 -11.305 3.675 2.386 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.091 4.107 0.786 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.109 5.367 0.566 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.585 4.463 0.734 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.705 4.081 -0.596 1.00 0.00 H new ATOM 573 N ALA A 41 -8.384 2.491 1.411 1.00 0.00 N ATOM 574 CA ALA A 41 -7.046 2.477 2.070 1.00 0.00 C ATOM 575 C ALA A 41 -6.241 3.731 1.729 1.00 0.00 C ATOM 576 O ALA A 41 -5.855 3.937 0.595 1.00 0.00 O ATOM 577 CB ALA A 41 -6.269 1.235 1.617 1.00 0.00 C ATOM 0 H ALA A 41 -8.430 3.000 0.528 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.199 2.455 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.291 1.223 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.822 0.338 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.141 1.260 0.535 1.00 0.00 H new ATOM 583 N ALA A 42 -6.020 4.523 2.747 1.00 0.00 N ATOM 584 CA ALA A 42 -5.248 5.795 2.604 1.00 0.00 C ATOM 585 C ALA A 42 -3.749 5.473 2.583 1.00 0.00 C ATOM 586 O ALA A 42 -3.353 4.383 2.941 1.00 0.00 O ATOM 587 CB ALA A 42 -5.584 6.699 3.784 1.00 0.00 C ATOM 0 H ALA A 42 -6.350 4.337 3.694 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.509 6.302 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.029 7.633 3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.653 6.911 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.310 6.200 4.714 1.00 0.00 H new ATOM 593 N LEU A 43 -2.959 6.432 2.169 1.00 0.00 N ATOM 594 CA LEU A 43 -1.477 6.235 2.097 1.00 0.00 C ATOM 595 C LEU A 43 -0.770 7.392 2.803 1.00 0.00 C ATOM 596 O LEU A 43 -0.646 8.479 2.270 1.00 0.00 O ATOM 597 CB LEU A 43 -1.070 6.169 0.614 1.00 0.00 C ATOM 598 CG LEU A 43 -1.843 5.034 -0.114 1.00 0.00 C ATOM 599 CD1 LEU A 43 -1.654 5.202 -1.619 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.324 3.652 0.339 1.00 0.00 C ATOM 0 H LEU A 43 -3.281 7.354 1.874 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.189 5.309 2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.276 7.124 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.003 5.996 0.533 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.903 5.094 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.191 4.412 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.043 6.172 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.593 5.142 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.876 2.868 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.263 3.566 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.466 3.545 1.414 1.00 0.00 H new ATOM 612 N TYR A 44 -0.327 7.099 3.996 1.00 0.00 N ATOM 613 CA TYR A 44 0.386 8.111 4.826 1.00 0.00 C ATOM 614 C TYR A 44 1.872 8.204 4.494 1.00 0.00 C ATOM 615 O TYR A 44 2.558 7.205 4.377 1.00 0.00 O ATOM 616 CB TYR A 44 0.199 7.740 6.295 1.00 0.00 C ATOM 617 CG TYR A 44 -1.262 8.014 6.688 1.00 0.00 C ATOM 618 CD1 TYR A 44 -2.281 7.146 6.346 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.569 9.156 7.396 1.00 0.00 C ATOM 620 CE1 TYR A 44 -3.581 7.425 6.712 1.00 0.00 C ATOM 621 CE2 TYR A 44 -2.867 9.433 7.760 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.883 8.569 7.420 1.00 0.00 C ATOM 623 OH TYR A 44 -5.186 8.844 7.783 1.00 0.00 O ATOM 0 H TYR A 44 -0.431 6.185 4.437 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.039 9.092 4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.443 6.690 6.454 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.875 8.322 6.921 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.059 6.247 5.791 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.781 9.842 7.669 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.371 6.740 6.441 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.089 10.332 8.315 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.216 9.690 8.277 1.00 0.00 H new ATOM 633 N ASN A 45 2.310 9.430 4.354 1.00 0.00 N ATOM 634 CA ASN A 45 3.740 9.713 4.029 1.00 0.00 C ATOM 635 C ASN A 45 4.636 9.480 5.261 1.00 0.00 C ATOM 636 O ASN A 45 5.847 9.506 5.151 1.00 0.00 O ATOM 637 CB ASN A 45 3.828 11.176 3.547 1.00 0.00 C ATOM 638 CG ASN A 45 5.241 11.480 3.025 1.00 0.00 C ATOM 639 OD1 ASN A 45 5.900 12.490 3.522 1.00 0.00 O flip ATOM 640 ND2 ASN A 45 5.758 10.800 2.160 1.00 0.00 N flip ATOM 0 H ASN A 45 1.726 10.260 4.453 1.00 0.00 H new ATOM 0 HA ASN A 45 4.094 9.040 3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.096 11.351 2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.582 11.852 4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.252 10.008 1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.697 11.022 1.830 1.00 0.00 H new ATOM 647 N GLN A 46 4.008 9.259 6.393 1.00 0.00 N ATOM 648 CA GLN A 46 4.754 9.013 7.669 1.00 0.00 C ATOM 649 C GLN A 46 4.351 7.633 8.200 1.00 0.00 C ATOM 650 O GLN A 46 3.189 7.276 8.162 1.00 0.00 O ATOM 651 CB GLN A 46 4.382 10.078 8.712 1.00 0.00 C ATOM 652 CG GLN A 46 4.456 11.509 8.131 1.00 0.00 C ATOM 653 CD GLN A 46 5.822 11.803 7.513 1.00 0.00 C ATOM 654 OE1 GLN A 46 5.844 12.285 6.304 1.00 0.00 O flip ATOM 655 NE2 GLN A 46 6.862 11.602 8.109 1.00 0.00 N flip ATOM 0 H GLN A 46 2.993 9.239 6.487 1.00 0.00 H new ATOM 0 HA GLN A 46 5.827 9.059 7.483 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.374 9.888 9.080 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.054 9.999 9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.681 11.634 7.375 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.251 12.232 8.920 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.842 11.224 9.056 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.755 11.811 7.662 1.00 0.00 H new ATOM 664 N ALA A 47 5.334 6.911 8.679 1.00 0.00 N ATOM 665 CA ALA A 47 5.124 5.536 9.236 1.00 0.00 C ATOM 666 C ALA A 47 3.934 5.409 10.200 1.00 0.00 C ATOM 667 O ALA A 47 3.627 6.322 10.944 1.00 0.00 O ATOM 668 CB ALA A 47 6.401 5.107 9.966 1.00 0.00 C ATOM 0 H ALA A 47 6.303 7.227 8.708 1.00 0.00 H new ATOM 0 HA ALA A 47 4.893 4.892 8.387 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.266 4.107 10.378 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.236 5.101 9.265 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.611 5.808 10.774 1.00 0.00 H new ATOM 674 N GLY A 48 3.312 4.258 10.137 1.00 0.00 N ATOM 675 CA GLY A 48 2.130 3.934 10.995 1.00 0.00 C ATOM 676 C GLY A 48 1.074 5.045 11.003 1.00 0.00 C ATOM 677 O GLY A 48 0.695 5.523 12.054 1.00 0.00 O ATOM 0 H GLY A 48 3.584 3.505 9.505 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.674 3.009 10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.467 3.753 12.016 1.00 0.00 H new ATOM 681 N CYS A 49 0.648 5.410 9.819 1.00 0.00 N ATOM 682 CA CYS A 49 -0.385 6.479 9.614 1.00 0.00 C ATOM 683 C CYS A 49 -0.206 7.760 10.461 1.00 0.00 C ATOM 684 O CYS A 49 -1.154 8.491 10.679 1.00 0.00 O ATOM 685 CB CYS A 49 -1.780 5.867 9.894 1.00 0.00 C ATOM 686 SG CYS A 49 -2.053 5.142 11.531 1.00 0.00 S ATOM 0 H CYS A 49 0.987 4.995 8.951 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.270 6.812 8.582 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.527 6.646 9.741 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.966 5.095 9.147 1.00 0.00 H new ATOM 691 N SER A 50 1.000 8.003 10.913 1.00 0.00 N ATOM 692 CA SER A 50 1.284 9.215 11.747 1.00 0.00 C ATOM 693 C SER A 50 1.695 10.395 10.841 1.00 0.00 C ATOM 694 O SER A 50 2.649 11.101 11.109 1.00 0.00 O ATOM 695 CB SER A 50 2.409 8.841 12.740 1.00 0.00 C ATOM 696 OG SER A 50 2.539 9.972 13.590 1.00 0.00 O ATOM 0 H SER A 50 1.809 7.407 10.738 1.00 0.00 H new ATOM 0 HA SER A 50 0.399 9.530 12.299 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.153 7.947 13.309 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.342 8.630 12.218 1.00 0.00 H new ATOM 0 HG SER A 50 2.595 10.785 13.046 1.00 0.00 H new ATOM 702 N GLY A 51 0.941 10.564 9.783 1.00 0.00 N ATOM 703 CA GLY A 51 1.205 11.660 8.801 1.00 0.00 C ATOM 704 C GLY A 51 -0.105 12.154 8.190 1.00 0.00 C ATOM 705 O GLY A 51 -1.052 12.436 8.898 1.00 0.00 O ATOM 0 H GLY A 51 0.139 9.977 9.555 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.717 12.485 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.868 11.300 8.014 1.00 0.00 H new ATOM 709 N VAL A 52 -0.103 12.237 6.882 1.00 0.00 N ATOM 710 CA VAL A 52 -1.310 12.700 6.128 1.00 0.00 C ATOM 711 C VAL A 52 -1.529 11.794 4.908 1.00 0.00 C ATOM 712 O VAL A 52 -0.583 11.340 4.292 1.00 0.00 O ATOM 713 CB VAL A 52 -1.091 14.182 5.685 1.00 0.00 C ATOM 714 CG1 VAL A 52 0.154 14.313 4.772 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.335 14.702 4.920 1.00 0.00 C ATOM 0 H VAL A 52 0.697 12.000 6.296 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.196 12.646 6.761 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.934 14.777 6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.282 15.355 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.039 13.977 5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.018 13.700 3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.170 15.736 4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.502 14.087 4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.209 14.650 5.569 1.00 0.00 H new ATOM 725 N ALA A 53 -2.781 11.563 4.604 1.00 0.00 N ATOM 726 CA ALA A 53 -3.135 10.698 3.440 1.00 0.00 C ATOM 727 C ALA A 53 -2.890 11.470 2.133 1.00 0.00 C ATOM 728 O ALA A 53 -3.659 12.333 1.754 1.00 0.00 O ATOM 729 CB ALA A 53 -4.609 10.298 3.555 1.00 0.00 C ATOM 0 H ALA A 53 -3.578 11.940 5.117 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.516 9.801 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.881 9.665 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.766 9.750 4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.230 11.194 3.553 1.00 0.00 H new ATOM 735 N HIS A 54 -1.807 11.121 1.490 1.00 0.00 N ATOM 736 CA HIS A 54 -1.414 11.767 0.200 1.00 0.00 C ATOM 737 C HIS A 54 -2.235 11.169 -0.952 1.00 0.00 C ATOM 738 O HIS A 54 -2.665 11.874 -1.844 1.00 0.00 O ATOM 739 CB HIS A 54 0.093 11.521 -0.006 1.00 0.00 C ATOM 740 CG HIS A 54 0.561 11.947 -1.406 1.00 0.00 C ATOM 741 ND1 HIS A 54 -0.010 12.827 -2.162 1.00 0.00 N ATOM 742 CD2 HIS A 54 1.643 11.510 -2.152 1.00 0.00 C ATOM 743 CE1 HIS A 54 0.643 12.937 -3.275 1.00 0.00 C ATOM 744 NE2 HIS A 54 1.679 12.136 -3.311 1.00 0.00 N ATOM 0 H HIS A 54 -1.163 10.399 1.812 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.611 12.839 0.223 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.656 12.072 0.747 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.311 10.463 0.143 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -0.848 13.355 -1.919 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.354 10.764 -1.830 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.367 13.607 -4.076 1.00 0.00 H new ATOM 752 N THR A 55 -2.418 9.877 -0.881 1.00 0.00 N ATOM 753 CA THR A 55 -3.193 9.130 -1.920 1.00 0.00 C ATOM 754 C THR A 55 -3.975 8.010 -1.220 1.00 0.00 C ATOM 755 O THR A 55 -3.691 7.686 -0.084 1.00 0.00 O ATOM 756 CB THR A 55 -2.177 8.576 -2.946 1.00 0.00 C ATOM 757 OG1 THR A 55 -1.621 9.731 -3.562 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.828 7.790 -4.104 1.00 0.00 C ATOM 0 H THR A 55 -2.054 9.293 -0.128 1.00 0.00 H new ATOM 0 HA THR A 55 -3.909 9.763 -2.444 1.00 0.00 H new ATOM 0 HB THR A 55 -1.487 7.913 -2.424 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.959 9.458 -4.231 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.053 7.433 -4.782 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.379 6.939 -3.702 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.513 8.442 -4.646 1.00 0.00 H new ATOM 766 N ARG A 56 -4.939 7.451 -1.909 1.00 0.00 N ATOM 767 CA ARG A 56 -5.759 6.348 -1.313 1.00 0.00 C ATOM 768 C ARG A 56 -6.193 5.348 -2.395 1.00 0.00 C ATOM 769 O ARG A 56 -5.749 5.438 -3.525 1.00 0.00 O ATOM 770 CB ARG A 56 -7.004 6.966 -0.618 1.00 0.00 C ATOM 771 CG ARG A 56 -7.922 7.676 -1.642 1.00 0.00 C ATOM 772 CD ARG A 56 -9.142 8.245 -0.901 1.00 0.00 C ATOM 773 NE ARG A 56 -10.048 8.878 -1.907 1.00 0.00 N ATOM 774 CZ ARG A 56 -11.235 9.324 -1.574 1.00 0.00 C ATOM 775 NH1 ARG A 56 -11.659 9.227 -0.341 1.00 0.00 N ATOM 776 NH2 ARG A 56 -11.971 9.864 -2.505 1.00 0.00 N ATOM 0 H ARG A 56 -5.195 7.711 -2.861 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.159 5.808 -0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.563 6.183 -0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.683 7.678 0.142 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.379 8.476 -2.145 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.242 6.974 -2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.664 7.453 -0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.827 8.978 -0.159 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.736 8.965 -2.874 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.065 8.802 0.371 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.584 9.577 -0.091 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.618 9.930 -3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.899 10.221 -2.278 1.00 0.00 H new ATOM 790 N PHE A 57 -7.045 4.426 -2.012 1.00 0.00 N ATOM 791 CA PHE A 57 -7.543 3.395 -2.974 1.00 0.00 C ATOM 792 C PHE A 57 -9.012 3.021 -2.739 1.00 0.00 C ATOM 793 O PHE A 57 -9.334 2.301 -1.812 1.00 0.00 O ATOM 794 CB PHE A 57 -6.714 2.113 -2.860 1.00 0.00 C ATOM 795 CG PHE A 57 -5.265 2.307 -3.320 1.00 0.00 C ATOM 796 CD1 PHE A 57 -4.981 2.683 -4.621 1.00 0.00 C ATOM 797 CD2 PHE A 57 -4.225 2.097 -2.435 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.675 2.845 -5.031 1.00 0.00 C ATOM 799 CE2 PHE A 57 -2.923 2.261 -2.847 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.645 2.635 -4.143 1.00 0.00 C ATOM 0 H PHE A 57 -7.419 4.344 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.448 3.840 -3.964 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.720 1.771 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.179 1.329 -3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.788 2.851 -5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.435 1.803 -1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.460 3.137 -6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.114 2.096 -2.150 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.621 2.763 -4.462 1.00 0.00 H new ATOM 810 N GLY A 58 -9.851 3.533 -3.602 1.00 0.00 N ATOM 811 CA GLY A 58 -11.319 3.260 -3.523 1.00 0.00 C ATOM 812 C GLY A 58 -11.643 2.074 -4.450 1.00 0.00 C ATOM 813 O GLY A 58 -12.723 1.517 -4.398 1.00 0.00 O ATOM 0 H GLY A 58 -9.576 4.141 -4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.607 3.030 -2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.885 4.142 -3.823 1.00 0.00 H new ATOM 817 N SER A 59 -10.676 1.736 -5.270 1.00 0.00 N ATOM 818 CA SER A 59 -10.795 0.611 -6.248 1.00 0.00 C ATOM 819 C SER A 59 -9.382 0.075 -6.543 1.00 0.00 C ATOM 820 O SER A 59 -8.450 0.854 -6.628 1.00 0.00 O ATOM 821 CB SER A 59 -11.443 1.135 -7.541 1.00 0.00 C ATOM 822 OG SER A 59 -11.520 -0.005 -8.386 1.00 0.00 O ATOM 0 H SER A 59 -9.775 2.214 -5.300 1.00 0.00 H new ATOM 0 HA SER A 59 -11.414 -0.189 -5.842 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.431 1.554 -7.349 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.844 1.925 -7.994 1.00 0.00 H new ATOM 0 HG SER A 59 -11.928 0.248 -9.240 1.00 0.00 H new ATOM 828 N SER A 60 -9.266 -1.226 -6.686 1.00 0.00 N ATOM 829 CA SER A 60 -7.954 -1.885 -6.981 1.00 0.00 C ATOM 830 C SER A 60 -7.104 -1.113 -8.011 1.00 0.00 C ATOM 831 O SER A 60 -7.607 -0.707 -9.042 1.00 0.00 O ATOM 832 CB SER A 60 -8.240 -3.307 -7.507 1.00 0.00 C ATOM 833 OG SER A 60 -8.966 -3.120 -8.714 1.00 0.00 O ATOM 0 H SER A 60 -10.049 -1.875 -6.608 1.00 0.00 H new ATOM 0 HA SER A 60 -7.374 -1.906 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.314 -3.854 -7.685 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.818 -3.885 -6.786 1.00 0.00 H new ATOM 0 HG SER A 60 -8.644 -2.313 -9.168 1.00 0.00 H new ATOM 839 N ALA A 61 -5.846 -0.937 -7.691 1.00 0.00 N ATOM 840 CA ALA A 61 -4.914 -0.200 -8.614 1.00 0.00 C ATOM 841 C ALA A 61 -3.461 -0.688 -8.475 1.00 0.00 C ATOM 842 O ALA A 61 -2.899 -0.629 -7.400 1.00 0.00 O ATOM 843 CB ALA A 61 -4.995 1.300 -8.292 1.00 0.00 C ATOM 0 H ALA A 61 -5.418 -1.272 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.220 -0.391 -9.643 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.325 1.851 -8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.017 1.649 -8.439 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.700 1.466 -7.256 1.00 0.00 H new ATOM 849 N ARG A 62 -2.906 -1.148 -9.573 1.00 0.00 N ATOM 850 CA ARG A 62 -1.502 -1.666 -9.619 1.00 0.00 C ATOM 851 C ARG A 62 -0.417 -0.583 -9.783 1.00 0.00 C ATOM 852 O ARG A 62 -0.071 -0.211 -10.889 1.00 0.00 O ATOM 853 CB ARG A 62 -1.405 -2.668 -10.784 1.00 0.00 C ATOM 854 CG ARG A 62 -2.284 -3.910 -10.530 1.00 0.00 C ATOM 855 CD ARG A 62 -2.204 -4.867 -11.730 1.00 0.00 C ATOM 856 NE ARG A 62 -2.712 -4.157 -12.946 1.00 0.00 N ATOM 857 CZ ARG A 62 -3.020 -4.805 -14.042 1.00 0.00 C ATOM 858 NH1 ARG A 62 -2.893 -6.105 -14.106 1.00 0.00 N ATOM 859 NH2 ARG A 62 -3.455 -4.114 -15.059 1.00 0.00 N ATOM 0 H ARG A 62 -3.389 -1.186 -10.471 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.303 -2.128 -8.652 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.715 -2.184 -11.710 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.368 -2.975 -10.917 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.954 -4.420 -9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.318 -3.606 -10.365 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.176 -5.193 -11.885 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.797 -5.762 -11.540 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.821 -3.143 -12.921 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.551 -6.624 -13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.136 -6.599 -14.964 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.546 -3.101 -14.986 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.704 -4.587 -15.928 1.00 0.00 H new ATOM 873 N ALA A 63 0.086 -0.109 -8.671 1.00 0.00 N ATOM 874 CA ALA A 63 1.153 0.940 -8.687 1.00 0.00 C ATOM 875 C ALA A 63 2.535 0.239 -8.690 1.00 0.00 C ATOM 876 O ALA A 63 3.334 0.403 -7.790 1.00 0.00 O ATOM 877 CB ALA A 63 0.960 1.826 -7.440 1.00 0.00 C ATOM 0 H ALA A 63 -0.201 -0.408 -7.739 1.00 0.00 H new ATOM 0 HA ALA A 63 1.095 1.569 -9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.725 2.602 -7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.026 2.289 -7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.045 1.214 -6.542 1.00 0.00 H new ATOM 883 N CYS A 64 2.765 -0.536 -9.724 1.00 0.00 N ATOM 884 CA CYS A 64 4.051 -1.299 -9.889 1.00 0.00 C ATOM 885 C CYS A 64 5.306 -0.407 -9.877 1.00 0.00 C ATOM 886 O CYS A 64 6.405 -0.884 -9.668 1.00 0.00 O ATOM 887 CB CYS A 64 3.958 -2.080 -11.214 1.00 0.00 C ATOM 888 SG CYS A 64 2.403 -2.981 -11.443 1.00 0.00 S ATOM 0 H CYS A 64 2.098 -0.677 -10.483 1.00 0.00 H new ATOM 0 HA CYS A 64 4.166 -1.966 -9.035 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.086 -1.383 -12.042 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.785 -2.788 -11.263 1.00 0.00 H new ATOM 893 N ASN A 65 5.112 0.866 -10.100 1.00 0.00 N ATOM 894 CA ASN A 65 6.248 1.835 -10.114 1.00 0.00 C ATOM 895 C ASN A 65 6.672 2.143 -8.658 1.00 0.00 C ATOM 896 O ASN A 65 5.888 1.914 -7.758 1.00 0.00 O ATOM 897 CB ASN A 65 5.760 3.097 -10.821 1.00 0.00 C ATOM 898 CG ASN A 65 5.189 2.724 -12.187 1.00 0.00 C ATOM 899 OD1 ASN A 65 3.993 2.594 -12.368 1.00 0.00 O ATOM 900 ND2 ASN A 65 6.020 2.545 -13.172 1.00 0.00 N ATOM 0 H ASN A 65 4.198 1.283 -10.276 1.00 0.00 H new ATOM 0 HA ASN A 65 7.114 1.430 -10.637 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.998 3.593 -10.219 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.583 3.802 -10.939 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.669 2.296 -14.097 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.023 2.654 -13.020 1.00 0.00 H new ATOM 907 N PRO A 66 7.874 2.643 -8.446 1.00 0.00 N ATOM 908 CA PRO A 66 8.289 3.178 -7.110 1.00 0.00 C ATOM 909 C PRO A 66 7.265 4.232 -6.647 1.00 0.00 C ATOM 910 O PRO A 66 6.804 5.016 -7.455 1.00 0.00 O ATOM 911 CB PRO A 66 9.685 3.766 -7.306 1.00 0.00 C ATOM 912 CG PRO A 66 10.086 3.530 -8.777 1.00 0.00 C ATOM 913 CD PRO A 66 8.958 2.743 -9.468 1.00 0.00 C ATOM 0 HA PRO A 66 8.319 2.412 -6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.688 4.831 -7.074 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.399 3.291 -6.633 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.249 4.482 -9.283 1.00 0.00 H new ATOM 0 HG3 PRO A 66 11.023 2.976 -8.830 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.610 3.257 -10.364 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.299 1.756 -9.779 1.00 0.00 H new ATOM 921 N PHE A 67 6.943 4.219 -5.375 1.00 0.00 N ATOM 922 CA PHE A 67 5.950 5.203 -4.838 1.00 0.00 C ATOM 923 C PHE A 67 6.582 6.250 -3.899 1.00 0.00 C ATOM 924 O PHE A 67 7.716 6.632 -4.117 1.00 0.00 O ATOM 925 CB PHE A 67 4.839 4.377 -4.131 1.00 0.00 C ATOM 926 CG PHE A 67 5.221 3.663 -2.809 1.00 0.00 C ATOM 927 CD1 PHE A 67 6.450 3.776 -2.170 1.00 0.00 C ATOM 928 CD2 PHE A 67 4.251 2.873 -2.219 1.00 0.00 C ATOM 929 CE1 PHE A 67 6.685 3.121 -0.982 1.00 0.00 C ATOM 930 CE2 PHE A 67 4.484 2.222 -1.036 1.00 0.00 C ATOM 931 CZ PHE A 67 5.700 2.347 -0.418 1.00 0.00 C ATOM 0 H PHE A 67 7.324 3.570 -4.686 1.00 0.00 H new ATOM 0 HA PHE A 67 5.535 5.793 -5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.001 5.044 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.481 3.622 -4.832 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.228 4.383 -2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.290 2.767 -2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.644 3.216 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.711 1.612 -0.592 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.885 1.836 0.515 1.00 0.00 H new ATOM 941 N GLY A 68 5.853 6.687 -2.893 1.00 0.00 N ATOM 942 CA GLY A 68 6.413 7.704 -1.948 1.00 0.00 C ATOM 943 C GLY A 68 5.715 7.773 -0.579 1.00 0.00 C ATOM 944 O GLY A 68 5.822 8.783 0.088 1.00 0.00 O ATOM 0 H GLY A 68 4.901 6.383 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.470 7.488 -1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.355 8.686 -2.418 1.00 0.00 H new ATOM 948 N TRP A 69 5.029 6.723 -0.191 1.00 0.00 N ATOM 949 CA TRP A 69 4.327 6.722 1.140 1.00 0.00 C ATOM 950 C TRP A 69 5.098 5.778 2.069 1.00 0.00 C ATOM 951 O TRP A 69 5.638 4.786 1.615 1.00 0.00 O ATOM 952 CB TRP A 69 2.882 6.213 0.989 1.00 0.00 C ATOM 953 CG TRP A 69 2.188 6.979 -0.143 1.00 0.00 C ATOM 954 CD1 TRP A 69 1.779 8.283 -0.127 1.00 0.00 C ATOM 955 CD2 TRP A 69 1.883 6.454 -1.356 1.00 0.00 C ATOM 956 NE1 TRP A 69 1.260 8.469 -1.317 1.00 0.00 N ATOM 957 CE2 TRP A 69 1.275 7.433 -2.129 1.00 0.00 C ATOM 958 CE3 TRP A 69 2.083 5.181 -1.866 1.00 0.00 C ATOM 959 CZ2 TRP A 69 0.867 7.136 -3.424 1.00 0.00 C ATOM 960 CZ3 TRP A 69 1.676 4.877 -3.159 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.066 5.857 -3.943 1.00 0.00 C ATOM 0 H TRP A 69 4.923 5.867 -0.735 1.00 0.00 H new ATOM 0 HA TRP A 69 4.294 7.734 1.543 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.882 5.145 0.773 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.337 6.350 1.923 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.864 8.996 0.680 1.00 0.00 H new ATOM 0 HE1 TRP A 69 0.866 9.367 -1.598 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.556 4.424 -1.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.395 7.896 -4.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 1.831 3.885 -3.556 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.749 5.626 -4.949 1.00 0.00 H new ATOM 972 N LYS A 70 5.130 6.103 3.337 1.00 0.00 N ATOM 973 CA LYS A 70 5.862 5.247 4.320 1.00 0.00 C ATOM 974 C LYS A 70 4.918 4.117 4.752 1.00 0.00 C ATOM 975 O LYS A 70 5.315 2.970 4.781 1.00 0.00 O ATOM 976 CB LYS A 70 6.264 6.113 5.536 1.00 0.00 C ATOM 977 CG LYS A 70 7.576 5.614 6.204 1.00 0.00 C ATOM 978 CD LYS A 70 7.487 4.154 6.701 1.00 0.00 C ATOM 979 CE LYS A 70 8.806 3.791 7.407 1.00 0.00 C ATOM 980 NZ LYS A 70 8.707 2.437 8.017 1.00 0.00 N ATOM 0 H LYS A 70 4.679 6.927 3.735 1.00 0.00 H new ATOM 0 HA LYS A 70 6.765 4.823 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.391 7.147 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.458 6.103 6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.395 5.699 5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.818 6.264 7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.647 4.039 7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.309 3.480 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.628 3.817 6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.030 4.529 8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.609 2.196 8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.945 2.430 8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.498 1.737 7.277 1.00 0.00 H new ATOM 994 N SER A 71 3.701 4.490 5.068 1.00 0.00 N ATOM 995 CA SER A 71 2.673 3.496 5.507 1.00 0.00 C ATOM 996 C SER A 71 1.335 3.653 4.782 1.00 0.00 C ATOM 997 O SER A 71 1.126 4.568 4.008 1.00 0.00 O ATOM 998 CB SER A 71 2.467 3.643 7.033 1.00 0.00 C ATOM 999 OG SER A 71 2.094 4.999 7.214 1.00 0.00 O ATOM 0 H SER A 71 3.373 5.455 5.040 1.00 0.00 H new ATOM 0 HA SER A 71 3.042 2.502 5.254 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.693 2.967 7.396 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.379 3.406 7.581 1.00 0.00 H new ATOM 0 HG SER A 71 2.835 5.490 7.626 1.00 0.00 H new ATOM 1005 N ILE A 72 0.481 2.714 5.091 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.893 2.636 4.519 1.00 0.00 C ATOM 1007 C ILE A 72 -1.901 2.302 5.623 1.00 0.00 C ATOM 1008 O ILE A 72 -1.643 1.458 6.462 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.906 1.535 3.404 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.372 1.249 2.931 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.254 0.223 3.941 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.375 0.329 1.722 1.00 0.00 C ATOM 0 H ILE A 72 0.693 1.963 5.748 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.175 3.595 4.085 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.330 1.897 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.939 0.793 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.869 2.187 2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.268 -0.536 3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.776 0.423 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.815 -0.135 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.402 0.143 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.827 0.799 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.898 -0.616 1.983 1.00 0.00 H new ATOM 1024 N PHE A 73 -3.015 2.986 5.578 1.00 0.00 N ATOM 1025 CA PHE A 73 -4.094 2.763 6.582 1.00 0.00 C ATOM 1026 C PHE A 73 -5.208 2.043 5.827 1.00 0.00 C ATOM 1027 O PHE A 73 -5.594 2.496 4.768 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.622 4.117 7.120 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.649 3.899 8.259 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -6.875 3.287 8.036 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -5.345 4.311 9.543 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -7.766 3.093 9.071 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -6.236 4.117 10.579 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.447 3.508 10.344 1.00 0.00 C ATOM 0 H PHE A 73 -3.224 3.698 4.879 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.733 2.189 7.436 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.789 4.717 7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.086 4.678 6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.134 2.959 7.040 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.397 4.791 9.738 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.716 2.615 8.882 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.982 4.444 11.576 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.144 3.356 11.155 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.688 0.955 6.376 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.787 0.193 5.702 1.00 0.00 C ATOM 1046 C ILE A 74 -7.969 0.198 6.674 1.00 0.00 C ATOM 1047 O ILE A 74 -7.817 -0.127 7.839 1.00 0.00 O ATOM 1048 CB ILE A 74 -6.322 -1.264 5.400 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -5.057 -1.174 4.488 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -7.468 -1.994 4.639 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.585 -2.562 4.017 1.00 0.00 C ATOM 0 H ILE A 74 -5.368 0.561 7.261 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.065 0.644 4.749 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.089 -1.809 6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.279 -0.553 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.251 -0.683 5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.164 -3.017 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.365 -2.008 5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.679 -1.468 3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.703 -2.452 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.337 -3.175 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.381 -3.043 3.448 1.00 0.00 H new ATOM 1063 N GLN A 75 -9.097 0.577 6.125 1.00 0.00 N ATOM 1064 CA GLN A 75 -10.383 0.665 6.882 1.00 0.00 C ATOM 1065 C GLN A 75 -10.863 -0.674 7.461 1.00 0.00 C ATOM 1066 O GLN A 75 -11.718 -1.350 6.920 1.00 0.00 O ATOM 1067 CB GLN A 75 -11.440 1.254 5.939 1.00 0.00 C ATOM 1068 CG GLN A 75 -10.992 2.663 5.500 1.00 0.00 C ATOM 1069 CD GLN A 75 -10.770 3.599 6.692 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -9.698 4.134 6.895 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -11.769 3.817 7.497 1.00 0.00 N ATOM 0 H GLN A 75 -9.180 0.839 5.143 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.218 1.303 7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.568 0.611 5.068 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.406 1.306 6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.070 2.586 4.924 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.745 3.092 4.839 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.669 3.368 7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.652 4.437 8.298 1.00 0.00 H new ATOM 1080 N CYS A 76 -10.256 -0.990 8.572 1.00 0.00 N ATOM 1081 CA CYS A 76 -10.534 -2.234 9.343 1.00 0.00 C ATOM 1082 C CYS A 76 -9.781 -2.180 10.687 1.00 0.00 C ATOM 1083 O CYS A 76 -8.724 -1.566 10.707 1.00 0.00 O ATOM 1084 CB CYS A 76 -10.069 -3.447 8.530 1.00 0.00 C ATOM 1085 SG CYS A 76 -10.089 -5.030 9.406 1.00 0.00 S ATOM 1086 OXT CYS A 76 -10.304 -2.759 11.625 1.00 0.00 O ATOM 0 H CYS A 76 -9.540 -0.402 8.997 1.00 0.00 H new ATOM 0 HA CYS A 76 -11.603 -2.320 9.536 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.701 -3.533 7.646 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.054 -3.259 8.179 1.00 0.00 H new