USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 540 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 NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 30 SER OG : rot -68:sc= 1.02 USER MOD Set 1.2: A 31 ASN : amide:sc= -0.0123 K(o=1,f=0.021) USER MOD Set 2.1: A 5 SER OG : rot 130:sc= 0.00902 USER MOD Set 2.2: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -170:sc= -1.34 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 26:sc= 0.75 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -137:sc= 0 (180deg=-1.5!) USER MOD Single : A 24 GLN : amide:sc= -0.0512 K(o=-0.051,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -3.33! C(o=-3.3!,f=-9.7!) USER MOD Single : A 35 CYS SG : rot 73:sc= 0.325 USER MOD Single : A 37 CYS SG : rot 130:sc= 0.831 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -86:sc= 1.16 USER MOD Single : A 57 LYS NZ :NH3+ 122:sc= -0.0725 (180deg=-0.608) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.49) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= -0.0184 (180deg=-0.21) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc=-0.00933 USER MOD Single : A 78 SER OG : rot 180:sc= -0.119 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.069 11.848 14.686 1.00 0.00 N ATOM 2 CA GLY A 1 20.415 13.022 15.234 1.00 0.00 C ATOM 3 C GLY A 1 19.116 13.346 14.524 1.00 0.00 C ATOM 4 O GLY A 1 18.033 13.075 15.042 1.00 0.00 O ATOM 0 H1 GLY A 1 21.952 11.668 15.205 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.440 11.025 14.778 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.285 12.008 13.681 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.216 12.862 16.294 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.088 13.876 15.161 1.00 0.00 H new ATOM 8 N SER A 2 19.222 13.930 13.334 1.00 0.00 N ATOM 9 CA SER A 2 18.046 14.297 12.555 1.00 0.00 C ATOM 10 C SER A 2 18.026 13.556 11.221 1.00 0.00 C ATOM 11 O SER A 2 18.600 14.016 10.234 1.00 0.00 O ATOM 12 CB SER A 2 18.019 15.807 12.312 1.00 0.00 C ATOM 13 OG SER A 2 17.723 16.510 13.507 1.00 0.00 O ATOM 0 H SER A 2 20.111 14.159 12.889 1.00 0.00 H new ATOM 0 HA SER A 2 17.161 14.012 13.124 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.984 16.133 11.924 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.273 16.043 11.553 1.00 0.00 H new ATOM 0 HG SER A 2 17.713 17.473 13.326 1.00 0.00 H new ATOM 19 N SER A 3 17.360 12.406 11.200 1.00 0.00 N ATOM 20 CA SER A 3 17.268 11.598 9.990 1.00 0.00 C ATOM 21 C SER A 3 15.815 11.448 9.547 1.00 0.00 C ATOM 22 O SER A 3 15.042 10.709 10.155 1.00 0.00 O ATOM 23 CB SER A 3 17.886 10.218 10.223 1.00 0.00 C ATOM 24 OG SER A 3 17.834 9.430 9.047 1.00 0.00 O ATOM 0 H SER A 3 16.876 12.013 12.007 1.00 0.00 H new ATOM 0 HA SER A 3 17.821 12.107 9.201 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.922 10.330 10.544 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.356 9.710 11.028 1.00 0.00 H new ATOM 0 HG SER A 3 18.237 8.554 9.222 1.00 0.00 H new ATOM 30 N GLY A 4 15.452 12.156 8.481 1.00 0.00 N ATOM 31 CA GLY A 4 14.094 12.089 7.974 1.00 0.00 C ATOM 32 C GLY A 4 13.801 13.175 6.958 1.00 0.00 C ATOM 33 O GLY A 4 14.593 14.100 6.782 1.00 0.00 O ATOM 0 H GLY A 4 16.074 12.774 7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.928 11.114 7.517 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.394 12.175 8.805 1.00 0.00 H new ATOM 37 N SER A 5 12.659 13.061 6.286 1.00 0.00 N ATOM 38 CA SER A 5 12.266 14.039 5.278 1.00 0.00 C ATOM 39 C SER A 5 11.402 15.136 5.893 1.00 0.00 C ATOM 40 O SER A 5 10.903 14.996 7.009 1.00 0.00 O ATOM 41 CB SER A 5 11.505 13.352 4.141 1.00 0.00 C ATOM 42 OG SER A 5 12.310 12.373 3.508 1.00 0.00 O ATOM 0 H SER A 5 11.991 12.302 6.421 1.00 0.00 H new ATOM 0 HA SER A 5 13.171 14.495 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.601 12.886 4.533 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.188 14.096 3.410 1.00 0.00 H new ATOM 0 HG SER A 5 11.813 11.531 3.447 1.00 0.00 H new ATOM 48 N SER A 6 11.231 16.229 5.156 1.00 0.00 N ATOM 49 CA SER A 6 10.432 17.353 5.629 1.00 0.00 C ATOM 50 C SER A 6 9.141 17.478 4.825 1.00 0.00 C ATOM 51 O SER A 6 9.053 18.276 3.892 1.00 0.00 O ATOM 52 CB SER A 6 11.234 18.652 5.534 1.00 0.00 C ATOM 53 OG SER A 6 12.441 18.562 6.272 1.00 0.00 O ATOM 0 H SER A 6 11.635 16.360 4.229 1.00 0.00 H new ATOM 0 HA SER A 6 10.174 17.170 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.458 18.869 4.490 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.635 19.481 5.910 1.00 0.00 H new ATOM 0 HG SER A 6 12.936 19.404 6.194 1.00 0.00 H new ATOM 59 N GLY A 7 8.142 16.683 5.193 1.00 0.00 N ATOM 60 CA GLY A 7 6.869 16.719 4.496 1.00 0.00 C ATOM 61 C GLY A 7 6.860 15.843 3.259 1.00 0.00 C ATOM 62 O GLY A 7 6.430 16.273 2.190 1.00 0.00 O ATOM 0 H GLY A 7 8.191 16.014 5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.079 16.395 5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.643 17.747 4.211 1.00 0.00 H new ATOM 66 N MET A 8 7.338 14.611 3.405 1.00 0.00 N ATOM 67 CA MET A 8 7.383 13.673 2.290 1.00 0.00 C ATOM 68 C MET A 8 6.079 12.888 2.187 1.00 0.00 C ATOM 69 O MET A 8 5.376 12.700 3.179 1.00 0.00 O ATOM 70 CB MET A 8 8.560 12.709 2.454 1.00 0.00 C ATOM 71 CG MET A 8 8.669 11.687 1.334 1.00 0.00 C ATOM 72 SD MET A 8 10.089 10.593 1.528 1.00 0.00 S ATOM 73 CE MET A 8 11.319 11.460 0.557 1.00 0.00 C ATOM 0 H MET A 8 7.699 14.240 4.284 1.00 0.00 H new ATOM 0 HA MET A 8 7.516 14.245 1.372 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.485 13.283 2.502 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.460 12.185 3.405 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.757 11.090 1.302 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.744 12.207 0.379 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.257 10.906 0.579 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.974 11.548 -0.473 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.476 12.455 0.973 1.00 0.00 H new ATOM 83 N VAL A 9 5.762 12.433 0.979 1.00 0.00 N ATOM 84 CA VAL A 9 4.542 11.668 0.746 1.00 0.00 C ATOM 85 C VAL A 9 4.722 10.210 1.153 1.00 0.00 C ATOM 86 O VAL A 9 5.786 9.624 0.950 1.00 0.00 O ATOM 87 CB VAL A 9 4.116 11.728 -0.733 1.00 0.00 C ATOM 88 CG1 VAL A 9 2.817 10.965 -0.945 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.977 13.172 -1.189 1.00 0.00 C ATOM 0 H VAL A 9 6.333 12.581 0.147 1.00 0.00 H new ATOM 0 HA VAL A 9 3.763 12.120 1.359 1.00 0.00 H new ATOM 0 HB VAL A 9 4.890 11.254 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.531 11.018 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.957 9.922 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.031 11.407 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.676 13.195 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.223 13.674 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.933 13.683 -1.075 1.00 0.00 H new ATOM 99 N PHE A 10 3.675 9.629 1.729 1.00 0.00 N ATOM 100 CA PHE A 10 3.717 8.238 2.166 1.00 0.00 C ATOM 101 C PHE A 10 2.597 7.430 1.517 1.00 0.00 C ATOM 102 O PHE A 10 1.678 7.990 0.920 1.00 0.00 O ATOM 103 CB PHE A 10 3.603 8.156 3.690 1.00 0.00 C ATOM 104 CG PHE A 10 4.863 8.551 4.407 1.00 0.00 C ATOM 105 CD1 PHE A 10 5.448 9.785 4.179 1.00 0.00 C ATOM 106 CD2 PHE A 10 5.461 7.686 5.310 1.00 0.00 C ATOM 107 CE1 PHE A 10 6.607 10.152 4.837 1.00 0.00 C ATOM 108 CE2 PHE A 10 6.620 8.047 5.971 1.00 0.00 C ATOM 109 CZ PHE A 10 7.194 9.281 5.734 1.00 0.00 C ATOM 0 H PHE A 10 2.787 10.099 1.904 1.00 0.00 H new ATOM 0 HA PHE A 10 4.673 7.815 1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.789 8.801 4.021 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.338 7.137 3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.993 10.469 3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.017 6.720 5.499 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.053 11.118 4.650 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.077 7.365 6.673 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.100 9.564 6.249 1.00 0.00 H new ATOM 119 N PHE A 11 2.682 6.109 1.638 1.00 0.00 N ATOM 120 CA PHE A 11 1.678 5.223 1.062 1.00 0.00 C ATOM 121 C PHE A 11 1.511 3.966 1.911 1.00 0.00 C ATOM 122 O PHE A 11 2.484 3.421 2.433 1.00 0.00 O ATOM 123 CB PHE A 11 2.065 4.839 -0.367 1.00 0.00 C ATOM 124 CG PHE A 11 2.304 6.021 -1.262 1.00 0.00 C ATOM 125 CD1 PHE A 11 3.565 6.587 -1.362 1.00 0.00 C ATOM 126 CD2 PHE A 11 1.268 6.567 -2.002 1.00 0.00 C ATOM 127 CE1 PHE A 11 3.788 7.675 -2.185 1.00 0.00 C ATOM 128 CE2 PHE A 11 1.485 7.655 -2.826 1.00 0.00 C ATOM 129 CZ PHE A 11 2.747 8.210 -2.917 1.00 0.00 C ATOM 0 H PHE A 11 3.436 5.629 2.130 1.00 0.00 H new ATOM 0 HA PHE A 11 0.728 5.756 1.042 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.966 4.227 -0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.275 4.223 -0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.383 6.173 -0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.279 6.137 -1.934 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.776 8.106 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.669 8.071 -3.398 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.919 9.061 -3.560 1.00 0.00 H new ATOM 139 N THR A 12 0.269 3.510 2.046 1.00 0.00 N ATOM 140 CA THR A 12 -0.027 2.320 2.832 1.00 0.00 C ATOM 141 C THR A 12 -0.262 1.111 1.933 1.00 0.00 C ATOM 142 O THR A 12 -1.367 0.906 1.428 1.00 0.00 O ATOM 143 CB THR A 12 -1.265 2.529 3.725 1.00 0.00 C ATOM 144 OG1 THR A 12 -1.079 3.679 4.558 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.521 1.305 4.591 1.00 0.00 C ATOM 0 H THR A 12 -0.548 3.948 1.620 1.00 0.00 H new ATOM 0 HA THR A 12 0.841 2.136 3.465 1.00 0.00 H new ATOM 0 HB THR A 12 -2.129 2.684 3.079 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.792 3.716 5.229 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.400 1.476 5.213 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.691 0.437 3.953 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.656 1.123 5.228 1.00 0.00 H new ATOM 153 N CYS A 13 0.782 0.314 1.737 1.00 0.00 N ATOM 154 CA CYS A 13 0.690 -0.876 0.898 1.00 0.00 C ATOM 155 C CYS A 13 -0.564 -1.680 1.231 1.00 0.00 C ATOM 156 O CYS A 13 -1.110 -1.571 2.328 1.00 0.00 O ATOM 157 CB CYS A 13 1.932 -1.750 1.078 1.00 0.00 C ATOM 158 SG CYS A 13 1.901 -3.294 0.112 1.00 0.00 S ATOM 0 H CYS A 13 1.703 0.470 2.148 1.00 0.00 H new ATOM 0 HA CYS A 13 0.629 -0.554 -0.141 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.813 -1.174 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.039 -1.997 2.134 1.00 0.00 H new ATOM 163 N ASN A 14 -1.013 -2.487 0.276 1.00 0.00 N ATOM 164 CA ASN A 14 -2.202 -3.309 0.467 1.00 0.00 C ATOM 165 C ASN A 14 -1.828 -4.781 0.613 1.00 0.00 C ATOM 166 O ASN A 14 -2.448 -5.517 1.380 1.00 0.00 O ATOM 167 CB ASN A 14 -3.166 -3.131 -0.709 1.00 0.00 C ATOM 168 CG ASN A 14 -4.577 -3.573 -0.372 1.00 0.00 C ATOM 169 OD1 ASN A 14 -4.926 -4.744 -0.524 1.00 0.00 O ATOM 170 ND2 ASN A 14 -5.396 -2.635 0.089 1.00 0.00 N ATOM 0 H ASN A 14 -0.572 -2.589 -0.638 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.694 -2.984 1.384 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.178 -2.083 -1.010 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.803 -3.703 -1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.357 -2.873 0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.064 -1.677 0.199 1.00 0.00 H new ATOM 177 N ALA A 15 -0.808 -5.203 -0.128 1.00 0.00 N ATOM 178 CA ALA A 15 -0.349 -6.586 -0.079 1.00 0.00 C ATOM 179 C ALA A 15 -0.077 -7.023 1.356 1.00 0.00 C ATOM 180 O ALA A 15 -0.656 -7.997 1.840 1.00 0.00 O ATOM 181 CB ALA A 15 0.900 -6.757 -0.931 1.00 0.00 C ATOM 0 H ALA A 15 -0.284 -4.607 -0.769 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.139 -7.220 -0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.232 -7.794 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.675 -6.493 -1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.689 -6.106 -0.554 1.00 0.00 H new ATOM 187 N CYS A 16 0.808 -6.299 2.033 1.00 0.00 N ATOM 188 CA CYS A 16 1.158 -6.612 3.413 1.00 0.00 C ATOM 189 C CYS A 16 0.551 -5.594 4.373 1.00 0.00 C ATOM 190 O CYS A 16 0.068 -5.948 5.448 1.00 0.00 O ATOM 191 CB CYS A 16 2.678 -6.645 3.581 1.00 0.00 C ATOM 192 SG CYS A 16 3.491 -5.038 3.302 1.00 0.00 S ATOM 0 H CYS A 16 1.296 -5.491 1.648 1.00 0.00 H new ATOM 0 HA CYS A 16 0.752 -7.595 3.650 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.914 -6.990 4.588 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.094 -7.376 2.888 1.00 0.00 H new ATOM 197 N GLY A 17 0.578 -4.325 3.977 1.00 0.00 N ATOM 198 CA GLY A 17 0.028 -3.274 4.812 1.00 0.00 C ATOM 199 C GLY A 17 1.061 -2.675 5.746 1.00 0.00 C ATOM 200 O GLY A 17 0.937 -2.776 6.966 1.00 0.00 O ATOM 0 H GLY A 17 0.972 -4.006 3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.383 -2.488 4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.798 -3.675 5.399 1.00 0.00 H new ATOM 204 N GLU A 18 2.085 -2.051 5.172 1.00 0.00 N ATOM 205 CA GLU A 18 3.145 -1.436 5.962 1.00 0.00 C ATOM 206 C GLU A 18 3.408 -0.006 5.500 1.00 0.00 C ATOM 207 O GLU A 18 3.185 0.333 4.337 1.00 0.00 O ATOM 208 CB GLU A 18 4.429 -2.261 5.862 1.00 0.00 C ATOM 209 CG GLU A 18 4.424 -3.504 6.735 1.00 0.00 C ATOM 210 CD GLU A 18 4.310 -3.180 8.212 1.00 0.00 C ATOM 211 OE1 GLU A 18 3.179 -2.926 8.678 1.00 0.00 O ATOM 212 OE2 GLU A 18 5.351 -3.179 8.902 1.00 0.00 O ATOM 0 H GLU A 18 2.203 -1.958 4.163 1.00 0.00 H new ATOM 0 HA GLU A 18 2.819 -1.409 7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.581 -2.557 4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.276 -1.634 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.593 -4.145 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.339 -4.069 6.561 1.00 0.00 H new ATOM 219 N SER A 19 3.884 0.829 6.418 1.00 0.00 N ATOM 220 CA SER A 19 4.175 2.223 6.107 1.00 0.00 C ATOM 221 C SER A 19 5.458 2.342 5.291 1.00 0.00 C ATOM 222 O SER A 19 6.553 2.085 5.793 1.00 0.00 O ATOM 223 CB SER A 19 4.298 3.040 7.394 1.00 0.00 C ATOM 224 OG SER A 19 5.368 2.570 8.196 1.00 0.00 O ATOM 0 H SER A 19 4.076 0.564 7.384 1.00 0.00 H new ATOM 0 HA SER A 19 3.350 2.616 5.513 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.458 4.090 7.148 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.366 2.982 7.956 1.00 0.00 H new ATOM 0 HG SER A 19 6.034 2.130 7.628 1.00 0.00 H new ATOM 230 N VAL A 20 5.316 2.733 4.028 1.00 0.00 N ATOM 231 CA VAL A 20 6.462 2.887 3.141 1.00 0.00 C ATOM 232 C VAL A 20 6.505 4.286 2.537 1.00 0.00 C ATOM 233 O VAL A 20 5.498 4.791 2.039 1.00 0.00 O ATOM 234 CB VAL A 20 6.436 1.849 2.004 1.00 0.00 C ATOM 235 CG1 VAL A 20 7.701 1.945 1.164 1.00 0.00 C ATOM 236 CG2 VAL A 20 6.266 0.446 2.568 1.00 0.00 C ATOM 0 H VAL A 20 4.417 2.949 3.596 1.00 0.00 H new ATOM 0 HA VAL A 20 7.354 2.728 3.747 1.00 0.00 H new ATOM 0 HB VAL A 20 5.584 2.063 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.665 1.204 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.775 2.942 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.571 1.758 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.250 -0.275 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.097 0.219 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.329 0.388 3.122 1.00 0.00 H new ATOM 246 N LYS A 21 7.678 4.909 2.582 1.00 0.00 N ATOM 247 CA LYS A 21 7.855 6.250 2.037 1.00 0.00 C ATOM 248 C LYS A 21 7.844 6.223 0.512 1.00 0.00 C ATOM 249 O LYS A 21 7.955 5.162 -0.102 1.00 0.00 O ATOM 250 CB LYS A 21 9.167 6.857 2.538 1.00 0.00 C ATOM 251 CG LYS A 21 9.112 7.316 3.985 1.00 0.00 C ATOM 252 CD LYS A 21 10.277 8.231 4.324 1.00 0.00 C ATOM 253 CE LYS A 21 11.544 7.439 4.605 1.00 0.00 C ATOM 254 NZ LYS A 21 12.756 8.304 4.580 1.00 0.00 N ATOM 0 H LYS A 21 8.521 4.506 2.991 1.00 0.00 H new ATOM 0 HA LYS A 21 7.023 6.867 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.963 6.120 2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.429 7.706 1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.173 7.839 4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.126 6.448 4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.453 8.919 3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.024 8.836 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.462 6.957 5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.648 6.646 3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.599 7.727 4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.849 8.745 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.668 9.045 5.304 1.00 0.00 H new ATOM 268 N LYS A 22 7.710 7.397 -0.095 1.00 0.00 N ATOM 269 CA LYS A 22 7.687 7.510 -1.548 1.00 0.00 C ATOM 270 C LYS A 22 8.946 6.905 -2.161 1.00 0.00 C ATOM 271 O LYS A 22 8.879 6.197 -3.166 1.00 0.00 O ATOM 272 CB LYS A 22 7.559 8.977 -1.965 1.00 0.00 C ATOM 273 CG LYS A 22 7.384 9.172 -3.461 1.00 0.00 C ATOM 274 CD LYS A 22 7.437 10.642 -3.842 1.00 0.00 C ATOM 275 CE LYS A 22 8.867 11.161 -3.861 1.00 0.00 C ATOM 276 NZ LYS A 22 8.929 12.623 -3.587 1.00 0.00 N ATOM 0 H LYS A 22 7.616 8.285 0.398 1.00 0.00 H new ATOM 0 HA LYS A 22 6.823 6.957 -1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.708 9.420 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.447 9.518 -1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.165 8.629 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.430 8.748 -3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.985 10.781 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.847 11.224 -3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.457 10.627 -3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.316 10.954 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.603 13.070 -4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.987 13.042 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.240 12.780 -2.607 1.00 0.00 H new ATOM 290 N ILE A 23 10.091 7.187 -1.548 1.00 0.00 N ATOM 291 CA ILE A 23 11.364 6.667 -2.032 1.00 0.00 C ATOM 292 C ILE A 23 11.590 5.236 -1.557 1.00 0.00 C ATOM 293 O ILE A 23 12.159 4.416 -2.277 1.00 0.00 O ATOM 294 CB ILE A 23 12.542 7.543 -1.568 1.00 0.00 C ATOM 295 CG1 ILE A 23 12.617 7.567 -0.040 1.00 0.00 C ATOM 296 CG2 ILE A 23 12.403 8.954 -2.119 1.00 0.00 C ATOM 297 CD1 ILE A 23 13.862 8.239 0.494 1.00 0.00 C ATOM 0 H ILE A 23 10.163 7.772 -0.716 1.00 0.00 H new ATOM 0 HA ILE A 23 11.318 6.682 -3.121 1.00 0.00 H new ATOM 0 HB ILE A 23 13.468 7.114 -1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.740 8.083 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.578 6.544 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.243 9.561 -1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.394 8.920 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.472 9.394 -1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 23 13.847 8.219 1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.744 7.710 0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 23 13.893 9.273 0.150 1.00 0.00 H new ATOM 309 N GLN A 24 11.138 4.943 -0.342 1.00 0.00 N ATOM 310 CA GLN A 24 11.291 3.610 0.229 1.00 0.00 C ATOM 311 C GLN A 24 10.713 2.550 -0.703 1.00 0.00 C ATOM 312 O GLN A 24 11.273 1.463 -0.847 1.00 0.00 O ATOM 313 CB GLN A 24 10.605 3.535 1.594 1.00 0.00 C ATOM 314 CG GLN A 24 11.428 4.134 2.723 1.00 0.00 C ATOM 315 CD GLN A 24 12.526 3.205 3.201 1.00 0.00 C ATOM 316 OE1 GLN A 24 12.458 1.991 3.003 1.00 0.00 O ATOM 317 NE2 GLN A 24 13.547 3.770 3.835 1.00 0.00 N ATOM 0 H GLN A 24 10.663 5.610 0.266 1.00 0.00 H new ATOM 0 HA GLN A 24 12.356 3.416 0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.648 4.053 1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.390 2.492 1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.871 5.071 2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.771 4.374 3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.563 4.780 3.977 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.315 3.194 4.179 1.00 0.00 H new ATOM 326 N VAL A 25 9.588 2.873 -1.334 1.00 0.00 N ATOM 327 CA VAL A 25 8.934 1.949 -2.252 1.00 0.00 C ATOM 328 C VAL A 25 9.957 1.099 -2.997 1.00 0.00 C ATOM 329 O VAL A 25 9.953 -0.127 -2.894 1.00 0.00 O ATOM 330 CB VAL A 25 8.062 2.698 -3.277 1.00 0.00 C ATOM 331 CG1 VAL A 25 7.431 1.722 -4.257 1.00 0.00 C ATOM 332 CG2 VAL A 25 6.995 3.519 -2.568 1.00 0.00 C ATOM 0 H VAL A 25 9.111 3.768 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 25 8.297 1.302 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 25 8.699 3.380 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.819 2.270 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.215 1.182 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.806 1.013 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.388 4.042 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.360 2.858 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.472 4.246 -1.911 1.00 0.00 H new ATOM 342 N GLU A 26 10.833 1.760 -3.748 1.00 0.00 N ATOM 343 CA GLU A 26 11.863 1.064 -4.511 1.00 0.00 C ATOM 344 C GLU A 26 12.351 -0.173 -3.763 1.00 0.00 C ATOM 345 O GLU A 26 12.287 -1.290 -4.278 1.00 0.00 O ATOM 346 CB GLU A 26 13.039 2.000 -4.795 1.00 0.00 C ATOM 347 CG GLU A 26 12.697 3.138 -5.742 1.00 0.00 C ATOM 348 CD GLU A 26 13.926 3.881 -6.229 1.00 0.00 C ATOM 349 OE1 GLU A 26 14.758 4.271 -5.383 1.00 0.00 O ATOM 350 OE2 GLU A 26 14.056 4.072 -7.456 1.00 0.00 O ATOM 0 H GLU A 26 10.850 2.775 -3.844 1.00 0.00 H new ATOM 0 HA GLU A 26 11.426 0.746 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.396 2.417 -3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.859 1.421 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.153 2.741 -6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.030 3.837 -5.238 1.00 0.00 H new ATOM 357 N LYS A 27 12.841 0.034 -2.546 1.00 0.00 N ATOM 358 CA LYS A 27 13.341 -1.063 -1.725 1.00 0.00 C ATOM 359 C LYS A 27 12.214 -2.021 -1.353 1.00 0.00 C ATOM 360 O LYS A 27 12.253 -3.203 -1.697 1.00 0.00 O ATOM 361 CB LYS A 27 14.001 -0.518 -0.456 1.00 0.00 C ATOM 362 CG LYS A 27 14.568 -1.599 0.447 1.00 0.00 C ATOM 363 CD LYS A 27 15.715 -2.339 -0.221 1.00 0.00 C ATOM 364 CE LYS A 27 16.960 -1.470 -0.314 1.00 0.00 C ATOM 365 NZ LYS A 27 18.121 -2.222 -0.864 1.00 0.00 N ATOM 0 H LYS A 27 12.903 0.952 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 27 14.083 -1.610 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.802 0.165 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.268 0.064 0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.916 -1.151 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.781 -2.306 0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.943 -3.244 0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.414 -2.653 -1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.754 -0.607 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.211 -1.088 0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.950 -1.595 -0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.334 -3.031 -0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.892 -2.565 -1.818 1.00 0.00 H new ATOM 379 N HIS A 28 11.211 -1.505 -0.650 1.00 0.00 N ATOM 380 CA HIS A 28 10.072 -2.315 -0.234 1.00 0.00 C ATOM 381 C HIS A 28 9.727 -3.354 -1.297 1.00 0.00 C ATOM 382 O HIS A 28 9.640 -4.548 -1.007 1.00 0.00 O ATOM 383 CB HIS A 28 8.859 -1.426 0.039 1.00 0.00 C ATOM 384 CG HIS A 28 7.666 -2.178 0.544 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.461 -2.454 1.879 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.611 -2.710 -0.116 1.00 0.00 C ATOM 387 CE1 HIS A 28 6.332 -3.126 2.019 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.797 -3.294 0.823 1.00 0.00 N ATOM 0 H HIS A 28 11.164 -0.529 -0.356 1.00 0.00 H new ATOM 0 HA HIS A 28 10.345 -2.836 0.684 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.134 -0.665 0.769 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.587 -0.904 -0.879 1.00 0.00 H new ATOM 0 HD1 HIS A 28 8.084 -2.182 2.640 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.441 -2.681 -1.182 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.917 -3.478 2.952 1.00 0.00 H new ATOM 396 N VAL A 29 9.532 -2.892 -2.528 1.00 0.00 N ATOM 397 CA VAL A 29 9.197 -3.781 -3.634 1.00 0.00 C ATOM 398 C VAL A 29 9.978 -5.088 -3.544 1.00 0.00 C ATOM 399 O VAL A 29 9.411 -6.172 -3.681 1.00 0.00 O ATOM 400 CB VAL A 29 9.482 -3.117 -4.994 1.00 0.00 C ATOM 401 CG1 VAL A 29 9.208 -4.090 -6.131 1.00 0.00 C ATOM 402 CG2 VAL A 29 8.654 -1.851 -5.152 1.00 0.00 C ATOM 0 H VAL A 29 9.600 -1.907 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 29 8.130 -3.993 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 29 10.536 -2.841 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.415 -3.603 -7.084 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.849 -4.965 -6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.163 -4.400 -6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.868 -1.395 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.594 -2.100 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.906 -1.150 -4.356 1.00 0.00 H new ATOM 412 N SER A 30 11.282 -4.977 -3.313 1.00 0.00 N ATOM 413 CA SER A 30 12.142 -6.149 -3.209 1.00 0.00 C ATOM 414 C SER A 30 11.499 -7.218 -2.331 1.00 0.00 C ATOM 415 O SER A 30 11.438 -8.389 -2.704 1.00 0.00 O ATOM 416 CB SER A 30 13.507 -5.758 -2.639 1.00 0.00 C ATOM 417 OG SER A 30 13.415 -5.457 -1.257 1.00 0.00 O ATOM 0 H SER A 30 11.766 -4.087 -3.194 1.00 0.00 H new ATOM 0 HA SER A 30 12.278 -6.559 -4.210 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.215 -6.573 -2.791 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.896 -4.894 -3.178 1.00 0.00 H new ATOM 0 HG SER A 30 12.896 -4.634 -1.135 1.00 0.00 H new ATOM 423 N ASN A 31 11.022 -6.805 -1.161 1.00 0.00 N ATOM 424 CA ASN A 31 10.383 -7.727 -0.228 1.00 0.00 C ATOM 425 C ASN A 31 8.933 -7.985 -0.624 1.00 0.00 C ATOM 426 O ASN A 31 8.483 -9.130 -0.664 1.00 0.00 O ATOM 427 CB ASN A 31 10.443 -7.167 1.195 1.00 0.00 C ATOM 428 CG ASN A 31 11.857 -6.826 1.623 1.00 0.00 C ATOM 429 OD1 ASN A 31 12.828 -7.306 1.037 1.00 0.00 O ATOM 430 ND2 ASN A 31 11.980 -5.992 2.650 1.00 0.00 N ATOM 0 H ASN A 31 11.066 -5.839 -0.836 1.00 0.00 H new ATOM 0 HA ASN A 31 10.924 -8.673 -0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.822 -6.273 1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.023 -7.896 1.888 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.907 -5.726 2.982 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.148 -5.618 3.106 1.00 0.00 H new ATOM 437 N CYS A 32 8.206 -6.912 -0.918 1.00 0.00 N ATOM 438 CA CYS A 32 6.806 -7.020 -1.312 1.00 0.00 C ATOM 439 C CYS A 32 6.676 -7.157 -2.826 1.00 0.00 C ATOM 440 O CYS A 32 6.754 -6.170 -3.558 1.00 0.00 O ATOM 441 CB CYS A 32 6.023 -5.798 -0.830 1.00 0.00 C ATOM 442 SG CYS A 32 4.270 -6.135 -0.464 1.00 0.00 S ATOM 0 H CYS A 32 8.564 -5.957 -0.891 1.00 0.00 H new ATOM 0 HA CYS A 32 6.392 -7.915 -0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.501 -5.404 0.067 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.081 -5.019 -1.591 1.00 0.00 H new ATOM 447 N ARG A 33 6.479 -8.387 -3.289 1.00 0.00 N ATOM 448 CA ARG A 33 6.339 -8.653 -4.716 1.00 0.00 C ATOM 449 C ARG A 33 4.921 -8.349 -5.189 1.00 0.00 C ATOM 450 O ARG A 33 4.714 -7.906 -6.318 1.00 0.00 O ATOM 451 CB ARG A 33 6.688 -10.111 -5.021 1.00 0.00 C ATOM 452 CG ARG A 33 5.800 -11.113 -4.301 1.00 0.00 C ATOM 453 CD ARG A 33 6.493 -12.458 -4.142 1.00 0.00 C ATOM 454 NE ARG A 33 6.276 -13.325 -5.298 1.00 0.00 N ATOM 455 CZ ARG A 33 7.026 -14.387 -5.570 1.00 0.00 C ATOM 456 NH1 ARG A 33 8.034 -14.713 -4.773 1.00 0.00 N ATOM 457 NH2 ARG A 33 6.766 -15.127 -6.640 1.00 0.00 N ATOM 0 H ARG A 33 6.413 -9.215 -2.697 1.00 0.00 H new ATOM 0 HA ARG A 33 7.030 -8.001 -5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.612 -10.277 -6.096 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.726 -10.293 -4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.531 -10.723 -3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.872 -11.244 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.563 -12.301 -4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.124 -12.952 -3.244 1.00 0.00 H new ATOM 0 HE ARG A 33 5.507 -13.103 -5.930 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.235 -14.148 -3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.608 -15.529 -4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.990 -14.880 -7.254 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.342 -15.942 -6.848 1.00 0.00 H new ATOM 471 N ASN A 34 3.947 -8.590 -4.317 1.00 0.00 N ATOM 472 CA ASN A 34 2.548 -8.342 -4.647 1.00 0.00 C ATOM 473 C ASN A 34 2.168 -6.894 -4.355 1.00 0.00 C ATOM 474 O ASN A 34 1.024 -6.599 -4.008 1.00 0.00 O ATOM 475 CB ASN A 34 1.641 -9.288 -3.856 1.00 0.00 C ATOM 476 CG ASN A 34 2.019 -9.359 -2.389 1.00 0.00 C ATOM 477 OD1 ASN A 34 2.849 -8.584 -1.912 1.00 0.00 O ATOM 478 ND2 ASN A 34 1.410 -10.291 -1.666 1.00 0.00 N ATOM 0 H ASN A 34 4.101 -8.956 -3.378 1.00 0.00 H new ATOM 0 HA ASN A 34 2.414 -8.526 -5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.607 -8.956 -3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.694 -10.286 -4.291 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.623 -10.387 -0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.729 -10.912 -2.103 1.00 0.00 H new ATOM 485 N CYS A 35 3.135 -5.994 -4.500 1.00 0.00 N ATOM 486 CA CYS A 35 2.903 -4.576 -4.252 1.00 0.00 C ATOM 487 C CYS A 35 2.540 -3.851 -5.544 1.00 0.00 C ATOM 488 O CYS A 35 3.414 -3.494 -6.333 1.00 0.00 O ATOM 489 CB CYS A 35 4.143 -3.937 -3.625 1.00 0.00 C ATOM 490 SG CYS A 35 3.858 -2.287 -2.943 1.00 0.00 S ATOM 0 H CYS A 35 4.087 -6.222 -4.788 1.00 0.00 H new ATOM 0 HA CYS A 35 2.067 -4.485 -3.558 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.512 -4.587 -2.832 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.928 -3.876 -4.379 1.00 0.00 H new ATOM 0 HG CYS A 35 3.172 -2.385 -1.843 1.00 0.00 H new ATOM 496 N GLU A 36 1.244 -3.638 -5.753 1.00 0.00 N ATOM 497 CA GLU A 36 0.766 -2.958 -6.950 1.00 0.00 C ATOM 498 C GLU A 36 -0.077 -1.739 -6.584 1.00 0.00 C ATOM 499 O GLU A 36 0.081 -0.665 -7.165 1.00 0.00 O ATOM 500 CB GLU A 36 -0.054 -3.917 -7.816 1.00 0.00 C ATOM 501 CG GLU A 36 0.786 -4.969 -8.521 1.00 0.00 C ATOM 502 CD GLU A 36 1.508 -4.420 -9.737 1.00 0.00 C ATOM 503 OE1 GLU A 36 0.866 -3.711 -10.539 1.00 0.00 O ATOM 504 OE2 GLU A 36 2.716 -4.701 -9.885 1.00 0.00 O ATOM 0 H GLU A 36 0.508 -3.927 -5.109 1.00 0.00 H new ATOM 0 HA GLU A 36 1.635 -2.621 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.795 -4.415 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.602 -3.341 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.517 -5.374 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.145 -5.796 -8.826 1.00 0.00 H new ATOM 511 N CYS A 37 -0.972 -1.915 -5.619 1.00 0.00 N ATOM 512 CA CYS A 37 -1.842 -0.831 -5.175 1.00 0.00 C ATOM 513 C CYS A 37 -1.242 -0.112 -3.971 1.00 0.00 C ATOM 514 O CYS A 37 -0.768 -0.746 -3.028 1.00 0.00 O ATOM 515 CB CYS A 37 -3.228 -1.373 -4.823 1.00 0.00 C ATOM 516 SG CYS A 37 -4.342 -0.142 -4.109 1.00 0.00 S ATOM 0 H CYS A 37 -1.115 -2.798 -5.129 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.937 -0.116 -5.992 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.686 -1.783 -5.724 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.116 -2.198 -4.119 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.481 -0.172 -4.736 1.00 0.00 H new ATOM 522 N LEU A 38 -1.266 1.216 -4.011 1.00 0.00 N ATOM 523 CA LEU A 38 -0.723 2.023 -2.923 1.00 0.00 C ATOM 524 C LEU A 38 -1.678 3.154 -2.556 1.00 0.00 C ATOM 525 O LEU A 38 -1.944 4.043 -3.365 1.00 0.00 O ATOM 526 CB LEU A 38 0.638 2.598 -3.318 1.00 0.00 C ATOM 527 CG LEU A 38 1.795 1.600 -3.381 1.00 0.00 C ATOM 528 CD1 LEU A 38 2.936 2.158 -4.218 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.279 1.255 -1.980 1.00 0.00 C ATOM 0 H LEU A 38 -1.655 1.756 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.599 1.379 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.540 3.073 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.899 3.382 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 38 1.436 0.687 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.750 1.434 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.583 2.354 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.294 3.086 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.102 0.544 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.621 2.161 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.461 0.813 -1.411 1.00 0.00 H new ATOM 541 N SER A 39 -2.190 3.115 -1.330 1.00 0.00 N ATOM 542 CA SER A 39 -3.117 4.136 -0.855 1.00 0.00 C ATOM 543 C SER A 39 -2.389 5.184 -0.019 1.00 0.00 C ATOM 544 O SER A 39 -1.930 4.902 1.088 1.00 0.00 O ATOM 545 CB SER A 39 -4.236 3.496 -0.031 1.00 0.00 C ATOM 546 OG SER A 39 -5.351 4.364 0.076 1.00 0.00 O ATOM 0 H SER A 39 -1.979 2.387 -0.647 1.00 0.00 H new ATOM 0 HA SER A 39 -3.553 4.629 -1.724 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.544 2.559 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.865 3.251 0.964 1.00 0.00 H new ATOM 0 HG SER A 39 -6.053 3.931 0.606 1.00 0.00 H new ATOM 552 N CYS A 40 -2.288 6.395 -0.557 1.00 0.00 N ATOM 553 CA CYS A 40 -1.616 7.486 0.138 1.00 0.00 C ATOM 554 C CYS A 40 -2.297 7.785 1.470 1.00 0.00 C ATOM 555 O CYS A 40 -3.501 7.575 1.624 1.00 0.00 O ATOM 556 CB CYS A 40 -1.605 8.743 -0.735 1.00 0.00 C ATOM 557 SG CYS A 40 -0.678 10.138 -0.018 1.00 0.00 S ATOM 0 H CYS A 40 -2.663 6.645 -1.472 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.589 7.179 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.174 8.495 -1.705 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.633 9.057 -0.914 1.00 0.00 H new ATOM 562 N ILE A 41 -1.520 8.275 2.429 1.00 0.00 N ATOM 563 CA ILE A 41 -2.048 8.603 3.747 1.00 0.00 C ATOM 564 C ILE A 41 -2.038 10.109 3.984 1.00 0.00 C ATOM 565 O ILE A 41 -2.858 10.635 4.736 1.00 0.00 O ATOM 566 CB ILE A 41 -1.243 7.914 4.864 1.00 0.00 C ATOM 567 CG1 ILE A 41 0.238 8.287 4.761 1.00 0.00 C ATOM 568 CG2 ILE A 41 -1.420 6.404 4.791 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.030 7.970 6.010 1.00 0.00 C ATOM 0 H ILE A 41 -0.522 8.454 2.318 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.075 8.240 3.774 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.619 8.259 5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.680 7.758 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.322 9.353 4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.845 5.931 5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.475 6.155 4.909 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.067 6.043 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.070 8.261 5.865 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.614 8.520 6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.977 6.900 6.213 1.00 0.00 H new ATOM 581 N ASP A 42 -1.105 10.798 3.336 1.00 0.00 N ATOM 582 CA ASP A 42 -0.989 12.245 3.474 1.00 0.00 C ATOM 583 C ASP A 42 -2.278 12.937 3.042 1.00 0.00 C ATOM 584 O ASP A 42 -2.744 13.871 3.696 1.00 0.00 O ATOM 585 CB ASP A 42 0.186 12.766 2.644 1.00 0.00 C ATOM 586 CG ASP A 42 0.326 14.273 2.720 1.00 0.00 C ATOM 587 OD1 ASP A 42 -0.689 14.950 2.986 1.00 0.00 O ATOM 588 OD2 ASP A 42 1.450 14.777 2.512 1.00 0.00 O ATOM 0 H ASP A 42 -0.418 10.378 2.710 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.810 12.471 4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.108 12.300 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.052 12.469 1.604 1.00 0.00 H new ATOM 593 N CYS A 43 -2.850 12.474 1.935 1.00 0.00 N ATOM 594 CA CYS A 43 -4.085 13.048 1.414 1.00 0.00 C ATOM 595 C CYS A 43 -5.159 11.976 1.256 1.00 0.00 C ATOM 596 O CYS A 43 -6.317 12.185 1.615 1.00 0.00 O ATOM 597 CB CYS A 43 -3.826 13.729 0.068 1.00 0.00 C ATOM 598 SG CYS A 43 -3.431 12.575 -1.285 1.00 0.00 S ATOM 0 H CYS A 43 -2.478 11.703 1.381 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.441 13.791 2.128 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.706 14.309 -0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.003 14.434 0.182 1.00 0.00 H new ATOM 603 N GLY A 44 -4.765 10.826 0.716 1.00 0.00 N ATOM 604 CA GLY A 44 -5.706 9.738 0.521 1.00 0.00 C ATOM 605 C GLY A 44 -6.135 9.596 -0.926 1.00 0.00 C ATOM 606 O GLY A 44 -7.188 10.097 -1.321 1.00 0.00 O ATOM 0 H GLY A 44 -3.812 10.629 0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.253 8.805 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.585 9.906 1.143 1.00 0.00 H new ATOM 610 N LYS A 45 -5.318 8.913 -1.720 1.00 0.00 N ATOM 611 CA LYS A 45 -5.617 8.707 -3.132 1.00 0.00 C ATOM 612 C LYS A 45 -5.215 7.303 -3.574 1.00 0.00 C ATOM 613 O LYS A 45 -4.273 6.719 -3.038 1.00 0.00 O ATOM 614 CB LYS A 45 -4.892 9.749 -3.986 1.00 0.00 C ATOM 615 CG LYS A 45 -5.596 11.094 -4.032 1.00 0.00 C ATOM 616 CD LYS A 45 -6.599 11.160 -5.172 1.00 0.00 C ATOM 617 CE LYS A 45 -7.566 12.321 -4.998 1.00 0.00 C ATOM 618 NZ LYS A 45 -8.602 12.346 -6.067 1.00 0.00 N ATOM 0 H LYS A 45 -4.442 8.492 -1.409 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.692 8.819 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.884 9.889 -3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.790 9.367 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.107 11.271 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.858 11.888 -4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.069 11.266 -6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.157 10.225 -5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.051 12.247 -4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.012 13.260 -5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.241 13.152 -5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.142 12.442 -6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.148 11.461 -6.042 1.00 0.00 H new ATOM 632 N ASP A 46 -5.933 6.768 -4.555 1.00 0.00 N ATOM 633 CA ASP A 46 -5.649 5.434 -5.071 1.00 0.00 C ATOM 634 C ASP A 46 -4.676 5.501 -6.244 1.00 0.00 C ATOM 635 O ASP A 46 -4.816 6.341 -7.134 1.00 0.00 O ATOM 636 CB ASP A 46 -6.944 4.746 -5.505 1.00 0.00 C ATOM 637 CG ASP A 46 -7.786 5.617 -6.416 1.00 0.00 C ATOM 638 OD1 ASP A 46 -7.290 5.996 -7.498 1.00 0.00 O ATOM 639 OD2 ASP A 46 -8.940 5.920 -6.048 1.00 0.00 O ATOM 0 H ASP A 46 -6.716 7.238 -5.009 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.188 4.853 -4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.703 3.815 -6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.525 4.481 -4.622 1.00 0.00 H new ATOM 644 N PHE A 47 -3.689 4.611 -6.239 1.00 0.00 N ATOM 645 CA PHE A 47 -2.691 4.570 -7.302 1.00 0.00 C ATOM 646 C PHE A 47 -2.447 3.137 -7.763 1.00 0.00 C ATOM 647 O PHE A 47 -1.756 2.367 -7.095 1.00 0.00 O ATOM 648 CB PHE A 47 -1.379 5.195 -6.823 1.00 0.00 C ATOM 649 CG PHE A 47 -1.508 6.642 -6.443 1.00 0.00 C ATOM 650 CD1 PHE A 47 -1.892 7.005 -5.162 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.243 7.640 -7.367 1.00 0.00 C ATOM 652 CE1 PHE A 47 -2.012 8.336 -4.811 1.00 0.00 C ATOM 653 CE2 PHE A 47 -1.361 8.973 -7.021 1.00 0.00 C ATOM 654 CZ PHE A 47 -1.745 9.321 -5.741 1.00 0.00 C ATOM 0 H PHE A 47 -3.559 3.909 -5.511 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.072 5.145 -8.146 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.011 4.634 -5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.632 5.100 -7.611 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.100 6.239 -4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.941 7.373 -8.369 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.314 8.606 -3.810 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.153 9.741 -7.751 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.836 10.362 -5.468 1.00 0.00 H new ATOM 664 N TRP A 48 -3.018 2.785 -8.910 1.00 0.00 N ATOM 665 CA TRP A 48 -2.863 1.444 -9.461 1.00 0.00 C ATOM 666 C TRP A 48 -1.862 1.440 -10.611 1.00 0.00 C ATOM 667 O TRP A 48 -2.107 2.031 -11.662 1.00 0.00 O ATOM 668 CB TRP A 48 -4.212 0.908 -9.942 1.00 0.00 C ATOM 669 CG TRP A 48 -5.200 0.707 -8.833 1.00 0.00 C ATOM 670 CD1 TRP A 48 -6.086 1.626 -8.347 1.00 0.00 C ATOM 671 CD2 TRP A 48 -5.402 -0.488 -8.071 1.00 0.00 C ATOM 672 NE1 TRP A 48 -6.825 1.074 -7.329 1.00 0.00 N ATOM 673 CE2 TRP A 48 -6.426 -0.222 -7.141 1.00 0.00 C ATOM 674 CE3 TRP A 48 -4.818 -1.758 -8.085 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -6.875 -1.179 -6.235 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -5.266 -2.707 -7.185 1.00 0.00 C ATOM 677 CH2 TRP A 48 -6.286 -2.414 -6.271 1.00 0.00 C ATOM 0 H TRP A 48 -3.592 3.410 -9.476 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.483 0.796 -8.671 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.631 1.601 -10.671 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.056 -0.040 -10.456 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.190 2.638 -8.710 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.553 1.552 -6.799 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.031 -1.994 -8.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.661 -0.955 -5.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.822 -3.691 -7.187 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -6.614 -3.177 -5.581 1.00 0.00 H new ATOM 688 N GLY A 49 -0.732 0.769 -10.405 1.00 0.00 N ATOM 689 CA GLY A 49 0.289 0.702 -11.435 1.00 0.00 C ATOM 690 C GLY A 49 1.360 1.760 -11.259 1.00 0.00 C ATOM 691 O GLY A 49 1.743 2.084 -10.135 1.00 0.00 O ATOM 0 H GLY A 49 -0.506 0.271 -9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.752 -0.285 -11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.177 0.821 -12.413 1.00 0.00 H new ATOM 695 N ASP A 50 1.845 2.298 -12.372 1.00 0.00 N ATOM 696 CA ASP A 50 2.880 3.326 -12.337 1.00 0.00 C ATOM 697 C ASP A 50 2.266 4.708 -12.140 1.00 0.00 C ATOM 698 O ASP A 50 2.704 5.685 -12.748 1.00 0.00 O ATOM 699 CB ASP A 50 3.701 3.297 -13.627 1.00 0.00 C ATOM 700 CG ASP A 50 4.055 1.887 -14.057 1.00 0.00 C ATOM 701 OD1 ASP A 50 3.214 1.239 -14.715 1.00 0.00 O ATOM 702 OD2 ASP A 50 5.172 1.433 -13.736 1.00 0.00 O ATOM 0 H ASP A 50 1.539 2.040 -13.310 1.00 0.00 H new ATOM 0 HA ASP A 50 3.537 3.117 -11.493 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.139 3.786 -14.423 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.617 3.871 -13.484 1.00 0.00 H new ATOM 707 N ASP A 51 1.249 4.783 -11.288 1.00 0.00 N ATOM 708 CA ASP A 51 0.575 6.046 -11.011 1.00 0.00 C ATOM 709 C ASP A 51 1.178 6.727 -9.787 1.00 0.00 C ATOM 710 O ASP A 51 1.421 7.934 -9.792 1.00 0.00 O ATOM 711 CB ASP A 51 -0.922 5.812 -10.795 1.00 0.00 C ATOM 712 CG ASP A 51 -1.616 5.311 -12.046 1.00 0.00 C ATOM 713 OD1 ASP A 51 -0.935 4.707 -12.901 1.00 0.00 O ATOM 714 OD2 ASP A 51 -2.841 5.521 -12.168 1.00 0.00 O ATOM 0 H ASP A 51 0.873 3.984 -10.777 1.00 0.00 H new ATOM 0 HA ASP A 51 0.713 6.700 -11.872 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.061 5.089 -9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.389 6.742 -10.472 1.00 0.00 H new ATOM 719 N TYR A 52 1.417 5.946 -8.739 1.00 0.00 N ATOM 720 CA TYR A 52 1.989 6.474 -7.507 1.00 0.00 C ATOM 721 C TYR A 52 3.238 7.301 -7.796 1.00 0.00 C ATOM 722 O TYR A 52 3.409 8.397 -7.262 1.00 0.00 O ATOM 723 CB TYR A 52 2.331 5.333 -6.548 1.00 0.00 C ATOM 724 CG TYR A 52 3.469 4.460 -7.027 1.00 0.00 C ATOM 725 CD1 TYR A 52 3.262 3.485 -7.995 1.00 0.00 C ATOM 726 CD2 TYR A 52 4.750 4.610 -6.511 1.00 0.00 C ATOM 727 CE1 TYR A 52 4.299 2.684 -8.435 1.00 0.00 C ATOM 728 CE2 TYR A 52 5.793 3.815 -6.946 1.00 0.00 C ATOM 729 CZ TYR A 52 5.562 2.854 -7.908 1.00 0.00 C ATOM 730 OH TYR A 52 6.598 2.060 -8.343 1.00 0.00 O ATOM 0 H TYR A 52 1.223 4.945 -8.719 1.00 0.00 H new ATOM 0 HA TYR A 52 1.246 7.121 -7.041 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.590 5.752 -5.576 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.446 4.714 -6.403 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.274 3.351 -8.411 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.934 5.361 -5.757 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.121 1.930 -9.187 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.783 3.945 -6.535 1.00 0.00 H new ATOM 0 HH TYR A 52 7.421 2.309 -7.873 1.00 0.00 H new ATOM 740 N LYS A 53 4.108 6.769 -8.647 1.00 0.00 N ATOM 741 CA LYS A 53 5.341 7.456 -9.012 1.00 0.00 C ATOM 742 C LYS A 53 5.081 8.934 -9.282 1.00 0.00 C ATOM 743 O LYS A 53 5.649 9.805 -8.623 1.00 0.00 O ATOM 744 CB LYS A 53 5.967 6.803 -10.246 1.00 0.00 C ATOM 745 CG LYS A 53 6.857 5.616 -9.921 1.00 0.00 C ATOM 746 CD LYS A 53 7.342 4.921 -11.182 1.00 0.00 C ATOM 747 CE LYS A 53 8.287 3.774 -10.858 1.00 0.00 C ATOM 748 NZ LYS A 53 9.182 3.451 -12.003 1.00 0.00 N ATOM 0 H LYS A 53 3.982 5.863 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 53 6.034 7.375 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.172 6.477 -10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.552 7.549 -10.784 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.714 5.952 -9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.308 4.907 -9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.487 4.542 -11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.849 5.641 -11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.890 4.035 -9.988 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.707 2.891 -10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.810 2.664 -11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.608 3.177 -12.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.754 4.286 -12.243 1.00 0.00 H new ATOM 762 N SER A 54 4.217 9.210 -10.255 1.00 0.00 N ATOM 763 CA SER A 54 3.884 10.584 -10.614 1.00 0.00 C ATOM 764 C SER A 54 3.554 11.405 -9.371 1.00 0.00 C ATOM 765 O SER A 54 3.957 12.563 -9.253 1.00 0.00 O ATOM 766 CB SER A 54 2.700 10.606 -11.583 1.00 0.00 C ATOM 767 OG SER A 54 1.483 10.337 -10.909 1.00 0.00 O ATOM 0 H SER A 54 3.736 8.501 -10.808 1.00 0.00 H new ATOM 0 HA SER A 54 4.752 11.028 -11.101 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.642 11.580 -12.069 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.855 9.866 -12.368 1.00 0.00 H new ATOM 0 HG SER A 54 1.346 9.368 -10.855 1.00 0.00 H new ATOM 773 N HIS A 55 2.818 10.797 -8.446 1.00 0.00 N ATOM 774 CA HIS A 55 2.434 11.471 -7.211 1.00 0.00 C ATOM 775 C HIS A 55 3.665 11.942 -6.442 1.00 0.00 C ATOM 776 O HIS A 55 4.316 11.157 -5.752 1.00 0.00 O ATOM 777 CB HIS A 55 1.597 10.538 -6.335 1.00 0.00 C ATOM 778 CG HIS A 55 0.780 11.255 -5.305 1.00 0.00 C ATOM 779 ND1 HIS A 55 -0.156 12.216 -5.623 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.762 11.146 -3.956 1.00 0.00 C ATOM 781 CE1 HIS A 55 -0.714 12.669 -4.514 1.00 0.00 C ATOM 782 NE2 HIS A 55 -0.175 12.035 -3.488 1.00 0.00 N ATOM 0 H HIS A 55 2.476 9.840 -8.528 1.00 0.00 H new ATOM 0 HA HIS A 55 1.837 12.344 -7.474 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.932 9.954 -6.972 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.260 9.832 -5.834 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.383 12.529 -6.567 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.371 10.483 -3.359 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.480 13.428 -4.456 1.00 0.00 H new ATOM 790 N VAL A 56 3.980 13.227 -6.568 1.00 0.00 N ATOM 791 CA VAL A 56 5.133 13.802 -5.886 1.00 0.00 C ATOM 792 C VAL A 56 4.708 14.910 -4.929 1.00 0.00 C ATOM 793 O VAL A 56 5.418 15.227 -3.974 1.00 0.00 O ATOM 794 CB VAL A 56 6.154 14.369 -6.890 1.00 0.00 C ATOM 795 CG1 VAL A 56 5.503 15.417 -7.779 1.00 0.00 C ATOM 796 CG2 VAL A 56 7.354 14.949 -6.158 1.00 0.00 C ATOM 0 H VAL A 56 3.453 13.890 -7.136 1.00 0.00 H new ATOM 0 HA VAL A 56 5.601 12.996 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 56 6.504 13.555 -7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.240 15.806 -8.482 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.679 14.965 -8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.123 16.232 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.065 15.345 -6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.024 15.751 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.833 14.167 -5.569 1.00 0.00 H new ATOM 806 N LYS A 57 3.545 15.497 -5.190 1.00 0.00 N ATOM 807 CA LYS A 57 3.023 16.570 -4.352 1.00 0.00 C ATOM 808 C LYS A 57 1.525 16.401 -4.122 1.00 0.00 C ATOM 809 O LYS A 57 0.721 16.597 -5.034 1.00 0.00 O ATOM 810 CB LYS A 57 3.301 17.930 -4.996 1.00 0.00 C ATOM 811 CG LYS A 57 2.926 19.109 -4.115 1.00 0.00 C ATOM 812 CD LYS A 57 3.417 20.421 -4.701 1.00 0.00 C ATOM 813 CE LYS A 57 2.425 20.990 -5.703 1.00 0.00 C ATOM 814 NZ LYS A 57 1.135 21.359 -5.058 1.00 0.00 N ATOM 0 H LYS A 57 2.945 15.247 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 57 3.528 16.522 -3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.360 17.995 -5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.749 17.998 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.843 19.145 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.352 18.972 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.579 21.141 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.379 20.265 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.856 21.869 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.242 20.257 -6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.941 22.368 -5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.367 20.788 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.194 21.179 -4.035 1.00 0.00 H new ATOM 828 N CYS A 58 1.156 16.037 -2.899 1.00 0.00 N ATOM 829 CA CYS A 58 -0.246 15.843 -2.549 1.00 0.00 C ATOM 830 C CYS A 58 -1.046 17.123 -2.773 1.00 0.00 C ATOM 831 O CYS A 58 -1.113 17.986 -1.897 1.00 0.00 O ATOM 832 CB CYS A 58 -0.373 15.399 -1.090 1.00 0.00 C ATOM 833 SG CYS A 58 0.301 13.740 -0.757 1.00 0.00 S ATOM 0 H CYS A 58 1.809 15.870 -2.133 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.651 15.065 -3.196 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.140 16.122 -0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.425 15.416 -0.806 1.00 0.00 H new ATOM 838 N ILE A 59 -1.649 17.239 -3.951 1.00 0.00 N ATOM 839 CA ILE A 59 -2.444 18.412 -4.290 1.00 0.00 C ATOM 840 C ILE A 59 -3.412 18.764 -3.165 1.00 0.00 C ATOM 841 O ILE A 59 -3.536 19.926 -2.780 1.00 0.00 O ATOM 842 CB ILE A 59 -3.242 18.196 -5.590 1.00 0.00 C ATOM 843 CG1 ILE A 59 -2.293 17.887 -6.750 1.00 0.00 C ATOM 844 CG2 ILE A 59 -4.088 19.421 -5.902 1.00 0.00 C ATOM 845 CD1 ILE A 59 -2.960 17.164 -7.899 1.00 0.00 C ATOM 0 H ILE A 59 -1.602 16.534 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.745 19.235 -4.436 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.908 17.344 -5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.865 18.820 -7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.466 17.281 -6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.646 19.253 -6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.785 19.600 -5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.440 20.289 -6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.228 16.977 -8.685 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.364 16.215 -7.546 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.769 17.778 -8.295 1.00 0.00 H new ATOM 857 N SER A 60 -4.095 17.751 -2.642 1.00 0.00 N ATOM 858 CA SER A 60 -5.054 17.953 -1.562 1.00 0.00 C ATOM 859 C SER A 60 -4.345 18.036 -0.214 1.00 0.00 C ATOM 860 O SER A 60 -3.495 17.204 0.104 1.00 0.00 O ATOM 861 CB SER A 60 -6.079 16.817 -1.543 1.00 0.00 C ATOM 862 OG SER A 60 -7.165 17.125 -0.686 1.00 0.00 O ATOM 0 H SER A 60 -4.002 16.783 -2.948 1.00 0.00 H new ATOM 0 HA SER A 60 -5.570 18.896 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.448 16.639 -2.553 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.600 15.896 -1.211 1.00 0.00 H new ATOM 0 HG SER A 60 -7.807 16.385 -0.692 1.00 0.00 H new ATOM 868 N GLU A 61 -4.700 19.046 0.574 1.00 0.00 N ATOM 869 CA GLU A 61 -4.097 19.239 1.887 1.00 0.00 C ATOM 870 C GLU A 61 -4.737 18.316 2.921 1.00 0.00 C ATOM 871 O GLU A 61 -4.077 17.445 3.484 1.00 0.00 O ATOM 872 CB GLU A 61 -4.240 20.696 2.330 1.00 0.00 C ATOM 873 CG GLU A 61 -3.646 20.978 3.700 1.00 0.00 C ATOM 874 CD GLU A 61 -3.177 22.412 3.849 1.00 0.00 C ATOM 875 OE1 GLU A 61 -2.132 22.758 3.259 1.00 0.00 O ATOM 876 OE2 GLU A 61 -3.854 23.188 4.555 1.00 0.00 O ATOM 0 H GLU A 61 -5.402 19.743 0.326 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.038 18.993 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.757 21.339 1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.297 20.962 2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.391 20.762 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.806 20.305 3.873 1.00 0.00 H new ATOM 883 N GLY A 62 -6.029 18.516 3.164 1.00 0.00 N ATOM 884 CA GLY A 62 -6.738 17.696 4.129 1.00 0.00 C ATOM 885 C GLY A 62 -7.881 18.439 4.793 1.00 0.00 C ATOM 886 O GLY A 62 -7.991 18.452 6.019 1.00 0.00 O ATOM 0 H GLY A 62 -6.597 19.231 2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.127 16.808 3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.040 17.353 4.892 1.00 0.00 H new ATOM 890 N GLN A 63 -8.731 19.060 3.982 1.00 0.00 N ATOM 891 CA GLN A 63 -9.869 19.811 4.499 1.00 0.00 C ATOM 892 C GLN A 63 -11.081 18.903 4.684 1.00 0.00 C ATOM 893 O GLN A 63 -11.166 17.833 4.081 1.00 0.00 O ATOM 894 CB GLN A 63 -10.219 20.962 3.555 1.00 0.00 C ATOM 895 CG GLN A 63 -9.547 22.276 3.922 1.00 0.00 C ATOM 896 CD GLN A 63 -8.121 22.363 3.416 1.00 0.00 C ATOM 897 OE1 GLN A 63 -7.844 22.072 2.252 1.00 0.00 O ATOM 898 NE2 GLN A 63 -7.206 22.766 4.290 1.00 0.00 N ATOM 0 H GLN A 63 -8.653 19.058 2.965 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.592 20.219 5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.932 20.688 2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.300 21.104 3.554 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.126 23.103 3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.552 22.392 5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.480 22.997 5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.229 22.844 4.006 1.00 0.00 H new ATOM 907 N LYS A 64 -12.016 19.337 5.522 1.00 0.00 N ATOM 908 CA LYS A 64 -13.224 18.565 5.787 1.00 0.00 C ATOM 909 C LYS A 64 -14.054 18.400 4.518 1.00 0.00 C ATOM 910 O LYS A 64 -13.853 19.116 3.536 1.00 0.00 O ATOM 911 CB LYS A 64 -14.062 19.246 6.872 1.00 0.00 C ATOM 912 CG LYS A 64 -14.924 18.282 7.669 1.00 0.00 C ATOM 913 CD LYS A 64 -15.437 18.921 8.948 1.00 0.00 C ATOM 914 CE LYS A 64 -16.606 19.855 8.675 1.00 0.00 C ATOM 915 NZ LYS A 64 -17.219 20.359 9.935 1.00 0.00 N ATOM 0 H LYS A 64 -11.960 20.220 6.030 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.924 17.577 6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.397 19.775 7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.703 19.995 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.767 17.957 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.345 17.391 7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.747 18.143 9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.631 19.476 9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.265 20.698 8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.360 19.331 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.012 20.992 9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.568 19.556 10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.506 20.881 10.483 1.00 0.00 H new ATOM 929 N TYR A 65 -14.987 17.455 4.545 1.00 0.00 N ATOM 930 CA TYR A 65 -15.846 17.196 3.395 1.00 0.00 C ATOM 931 C TYR A 65 -17.213 16.685 3.841 1.00 0.00 C ATOM 932 O TYR A 65 -17.310 15.792 4.682 1.00 0.00 O ATOM 933 CB TYR A 65 -15.190 16.180 2.460 1.00 0.00 C ATOM 934 CG TYR A 65 -14.730 14.921 3.160 1.00 0.00 C ATOM 935 CD1 TYR A 65 -13.567 14.910 3.920 1.00 0.00 C ATOM 936 CD2 TYR A 65 -15.458 13.742 3.060 1.00 0.00 C ATOM 937 CE1 TYR A 65 -13.143 13.763 4.561 1.00 0.00 C ATOM 938 CE2 TYR A 65 -15.042 12.589 3.699 1.00 0.00 C ATOM 939 CZ TYR A 65 -13.884 12.605 4.448 1.00 0.00 C ATOM 940 OH TYR A 65 -13.465 11.459 5.084 1.00 0.00 O ATOM 0 H TYR A 65 -15.168 16.856 5.350 1.00 0.00 H new ATOM 0 HA TYR A 65 -15.986 18.135 2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -15.897 15.912 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.335 16.647 1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.984 15.815 4.011 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -16.364 13.726 2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.236 13.772 5.148 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.620 11.681 3.612 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.100 10.734 4.904 1.00 0.00 H new ATOM 950 N GLY A 66 -18.267 17.260 3.270 1.00 0.00 N ATOM 951 CA GLY A 66 -19.615 16.851 3.620 1.00 0.00 C ATOM 952 C GLY A 66 -20.232 15.937 2.580 1.00 0.00 C ATOM 953 O GLY A 66 -19.521 15.259 1.839 1.00 0.00 O ATOM 0 H GLY A 66 -18.212 18.001 2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -19.598 16.341 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -20.241 17.736 3.739 1.00 0.00 H new ATOM 957 N GLY A 67 -21.560 15.918 2.525 1.00 0.00 N ATOM 958 CA GLY A 67 -22.251 15.076 1.565 1.00 0.00 C ATOM 959 C GLY A 67 -22.412 13.650 2.055 1.00 0.00 C ATOM 960 O GLY A 67 -23.502 13.242 2.455 1.00 0.00 O ATOM 0 H GLY A 67 -22.170 16.470 3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -23.234 15.499 1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.699 15.074 0.625 1.00 0.00 H new ATOM 964 N LYS A 68 -21.323 12.889 2.023 1.00 0.00 N ATOM 965 CA LYS A 68 -21.347 11.500 2.467 1.00 0.00 C ATOM 966 C LYS A 68 -20.473 11.308 3.702 1.00 0.00 C ATOM 967 O LYS A 68 -19.316 11.724 3.726 1.00 0.00 O ATOM 968 CB LYS A 68 -20.871 10.576 1.343 1.00 0.00 C ATOM 969 CG LYS A 68 -21.894 10.387 0.236 1.00 0.00 C ATOM 970 CD LYS A 68 -21.945 11.593 -0.687 1.00 0.00 C ATOM 971 CE LYS A 68 -22.744 11.296 -1.947 1.00 0.00 C ATOM 972 NZ LYS A 68 -22.033 10.343 -2.844 1.00 0.00 N ATOM 0 H LYS A 68 -20.413 13.211 1.694 1.00 0.00 H new ATOM 0 HA LYS A 68 -22.374 11.246 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.955 10.982 0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -20.621 9.603 1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -21.647 9.496 -0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -22.878 10.220 0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.393 12.436 -0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.931 11.888 -0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -23.714 10.881 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -22.935 12.226 -2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.461 10.372 -3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.030 10.610 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -22.110 9.380 -2.459 1.00 0.00 H new ATOM 986 N GLY A 69 -21.035 10.674 4.726 1.00 0.00 N ATOM 987 CA GLY A 69 -20.292 10.437 5.950 1.00 0.00 C ATOM 988 C GLY A 69 -21.073 9.611 6.953 1.00 0.00 C ATOM 989 O GLY A 69 -21.389 8.448 6.698 1.00 0.00 O ATOM 0 H GLY A 69 -21.992 10.320 4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -19.359 9.926 5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -20.026 11.393 6.401 1.00 0.00 H new ATOM 993 N TYR A 70 -21.384 10.210 8.096 1.00 0.00 N ATOM 994 CA TYR A 70 -22.130 9.521 9.142 1.00 0.00 C ATOM 995 C TYR A 70 -23.626 9.793 9.015 1.00 0.00 C ATOM 996 O TYR A 70 -24.038 10.780 8.407 1.00 0.00 O ATOM 997 CB TYR A 70 -21.636 9.959 10.522 1.00 0.00 C ATOM 998 CG TYR A 70 -22.515 9.485 11.658 1.00 0.00 C ATOM 999 CD1 TYR A 70 -22.533 8.149 12.038 1.00 0.00 C ATOM 1000 CD2 TYR A 70 -23.328 10.374 12.351 1.00 0.00 C ATOM 1001 CE1 TYR A 70 -23.335 7.712 13.075 1.00 0.00 C ATOM 1002 CE2 TYR A 70 -24.132 9.946 13.389 1.00 0.00 C ATOM 1003 CZ TYR A 70 -24.132 8.614 13.747 1.00 0.00 C ATOM 1004 OH TYR A 70 -24.932 8.183 14.781 1.00 0.00 O ATOM 0 H TYR A 70 -21.131 11.172 8.322 1.00 0.00 H new ATOM 0 HA TYR A 70 -21.963 8.450 9.026 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -20.625 9.581 10.674 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -21.577 11.047 10.549 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -21.910 7.440 11.514 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -23.331 11.418 12.073 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -23.337 6.670 13.357 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -24.757 10.650 13.918 1.00 0.00 H new ATOM 0 HH TYR A 70 -25.429 8.943 15.149 1.00 0.00 H new ATOM 1014 N GLU A 71 -24.433 8.910 9.595 1.00 0.00 N ATOM 1015 CA GLU A 71 -25.883 9.055 9.546 1.00 0.00 C ATOM 1016 C GLU A 71 -26.337 10.265 10.357 1.00 0.00 C ATOM 1017 O GLU A 71 -26.750 10.135 11.509 1.00 0.00 O ATOM 1018 CB GLU A 71 -26.562 7.790 10.075 1.00 0.00 C ATOM 1019 CG GLU A 71 -26.252 6.546 9.259 1.00 0.00 C ATOM 1020 CD GLU A 71 -27.095 6.449 8.001 1.00 0.00 C ATOM 1021 OE1 GLU A 71 -27.551 7.502 7.510 1.00 0.00 O ATOM 1022 OE2 GLU A 71 -27.297 5.319 7.509 1.00 0.00 O ATOM 0 H GLU A 71 -24.108 8.088 10.104 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.172 9.207 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.250 7.625 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -27.641 7.946 10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -25.197 6.549 8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.420 5.662 9.874 1.00 0.00 H new ATOM 1029 N ALA A 72 -26.255 11.443 9.747 1.00 0.00 N ATOM 1030 CA ALA A 72 -26.658 12.677 10.411 1.00 0.00 C ATOM 1031 C ALA A 72 -28.011 13.158 9.900 1.00 0.00 C ATOM 1032 O ALA A 72 -28.249 13.211 8.693 1.00 0.00 O ATOM 1033 CB ALA A 72 -25.602 13.754 10.209 1.00 0.00 C ATOM 0 H ALA A 72 -25.913 11.569 8.794 1.00 0.00 H new ATOM 0 HA ALA A 72 -26.753 12.473 11.477 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -25.916 14.670 10.710 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -24.654 13.417 10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -25.479 13.947 9.143 1.00 0.00 H new ATOM 1039 N LYS A 73 -28.898 13.508 10.826 1.00 0.00 N ATOM 1040 CA LYS A 73 -30.229 13.986 10.471 1.00 0.00 C ATOM 1041 C LYS A 73 -30.160 14.972 9.309 1.00 0.00 C ATOM 1042 O LYS A 73 -29.440 15.968 9.370 1.00 0.00 O ATOM 1043 CB LYS A 73 -30.894 14.649 11.678 1.00 0.00 C ATOM 1044 CG LYS A 73 -32.277 15.203 11.383 1.00 0.00 C ATOM 1045 CD LYS A 73 -33.096 15.367 12.652 1.00 0.00 C ATOM 1046 CE LYS A 73 -32.737 16.650 13.386 1.00 0.00 C ATOM 1047 NZ LYS A 73 -33.591 16.859 14.588 1.00 0.00 N ATOM 0 H LYS A 73 -28.718 13.469 11.829 1.00 0.00 H new ATOM 0 HA LYS A 73 -30.826 13.128 10.162 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -30.968 13.922 12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -30.256 15.458 12.035 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -32.184 16.167 10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -32.798 14.536 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -34.157 15.374 12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -32.928 14.513 13.308 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -31.690 16.616 13.686 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -32.847 17.498 12.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -33.315 17.744 15.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -34.588 16.917 14.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -33.467 16.062 15.245 1.00 0.00 H new ATOM 1061 N SER A 74 -30.916 14.688 8.253 1.00 0.00 N ATOM 1062 CA SER A 74 -30.939 15.549 7.076 1.00 0.00 C ATOM 1063 C SER A 74 -32.105 15.188 6.161 1.00 0.00 C ATOM 1064 O SER A 74 -32.777 14.177 6.363 1.00 0.00 O ATOM 1065 CB SER A 74 -29.620 15.435 6.309 1.00 0.00 C ATOM 1066 OG SER A 74 -29.333 16.633 5.608 1.00 0.00 O ATOM 0 H SER A 74 -31.520 13.869 8.188 1.00 0.00 H new ATOM 0 HA SER A 74 -31.069 16.578 7.412 1.00 0.00 H new ATOM 0 HB2 SER A 74 -28.810 15.213 7.004 1.00 0.00 H new ATOM 0 HB3 SER A 74 -29.675 14.603 5.607 1.00 0.00 H new ATOM 0 HG SER A 74 -28.485 16.536 5.127 1.00 0.00 H new ATOM 1072 N GLY A 75 -32.340 16.023 5.154 1.00 0.00 N ATOM 1073 CA GLY A 75 -33.425 15.776 4.223 1.00 0.00 C ATOM 1074 C GLY A 75 -32.929 15.430 2.832 1.00 0.00 C ATOM 1075 O GLY A 75 -32.879 16.276 1.940 1.00 0.00 O ATOM 0 H GLY A 75 -31.798 16.866 4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -34.043 14.960 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -34.061 16.659 4.169 1.00 0.00 H new ATOM 1079 N PRO A 76 -32.548 14.159 2.635 1.00 0.00 N ATOM 1080 CA PRO A 76 -32.046 13.675 1.346 1.00 0.00 C ATOM 1081 C PRO A 76 -33.137 13.617 0.282 1.00 0.00 C ATOM 1082 O PRO A 76 -34.321 13.501 0.600 1.00 0.00 O ATOM 1083 CB PRO A 76 -31.538 12.268 1.669 1.00 0.00 C ATOM 1084 CG PRO A 76 -32.326 11.845 2.861 1.00 0.00 C ATOM 1085 CD PRO A 76 -32.580 13.097 3.654 1.00 0.00 C ATOM 0 HA PRO A 76 -31.283 14.334 0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -31.693 11.589 0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -30.469 12.272 1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -33.263 11.375 2.563 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -31.776 11.113 3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -33.542 13.060 4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -31.818 13.250 4.418 1.00 0.00 H new ATOM 1093 N SER A 77 -32.731 13.697 -0.981 1.00 0.00 N ATOM 1094 CA SER A 77 -33.676 13.657 -2.091 1.00 0.00 C ATOM 1095 C SER A 77 -33.393 12.466 -3.002 1.00 0.00 C ATOM 1096 O SER A 77 -33.435 12.583 -4.227 1.00 0.00 O ATOM 1097 CB SER A 77 -33.606 14.956 -2.895 1.00 0.00 C ATOM 1098 OG SER A 77 -32.385 15.050 -3.608 1.00 0.00 O ATOM 0 H SER A 77 -31.755 13.790 -1.261 1.00 0.00 H new ATOM 0 HA SER A 77 -34.679 13.547 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 77 -34.442 15.001 -3.593 1.00 0.00 H new ATOM 0 HB3 SER A 77 -33.705 15.809 -2.223 1.00 0.00 H new ATOM 0 HG SER A 77 -32.366 15.888 -4.115 1.00 0.00 H new ATOM 1104 N SER A 78 -33.104 11.320 -2.394 1.00 0.00 N ATOM 1105 CA SER A 78 -32.809 10.107 -3.149 1.00 0.00 C ATOM 1106 C SER A 78 -33.813 9.006 -2.820 1.00 0.00 C ATOM 1107 O SER A 78 -34.461 8.455 -3.709 1.00 0.00 O ATOM 1108 CB SER A 78 -31.389 9.626 -2.848 1.00 0.00 C ATOM 1109 OG SER A 78 -31.204 9.420 -1.458 1.00 0.00 O ATOM 0 H SER A 78 -33.068 11.206 -1.381 1.00 0.00 H new ATOM 0 HA SER A 78 -32.887 10.341 -4.211 1.00 0.00 H new ATOM 0 HB2 SER A 78 -31.195 8.698 -3.385 1.00 0.00 H new ATOM 0 HB3 SER A 78 -30.669 10.360 -3.209 1.00 0.00 H new ATOM 0 HG SER A 78 -30.289 9.111 -1.292 1.00 0.00 H new ATOM 1115 N GLY A 79 -33.935 8.690 -1.535 1.00 0.00 N ATOM 1116 CA GLY A 79 -34.860 7.656 -1.110 1.00 0.00 C ATOM 1117 C GLY A 79 -36.161 7.687 -1.887 1.00 0.00 C ATOM 1118 O GLY A 79 -37.171 8.137 -1.347 1.00 0.00 O ATOM 0 H GLY A 79 -33.410 9.132 -0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -34.390 6.680 -1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -35.072 7.777 -0.048 1.00 0.00 H new TER 1122 GLY A 79 HETATM 1123 ZN ZN A 201 3.742 -4.451 1.057 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -1.162 12.000 -1.371 1.00 0.00 ZN