USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 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 34 CYS SG : rot 8:sc= -25.5! USER MOD Set 1.2: A 40 CYS SG : rot 135:sc= -25! USER MOD Set 2.1: A 23 HIS : no HD1:sc= -1.13 K(o=-0.17,f=-3.2) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -148:sc= 0.96 (180deg=0) USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 26 SER OG : rot 90:sc= 1.33 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.929 K(o=-0.93,f=-0.0056) USER MOD Single : A 4 ASN : amide:sc= -0.878 K(o=-0.88,f=0) USER MOD Single : A 5 THR OG1 : rot 40:sc= 0.481 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.916 X(o=-0.92,f=-0.49) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -96:sc= 0.39 USER MOD Single : A 33 SER OG : rot 16:sc= 1.2 USER MOD Single : A 37 GLN : amide:sc= -1.92! K(o=-1.9!,f=-0.77) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.597 K(o=-0.6,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.927 -0.110 -0.303 1.00 63.03 N ATOM 2 CA LEU A 1 1.806 -0.094 -1.468 1.00 74.30 C ATOM 3 C LEU A 1 2.506 -1.438 -1.640 1.00 60.31 C ATOM 4 O LEU A 1 2.805 -2.122 -0.662 1.00 23.04 O ATOM 5 CB LEU A 1 2.844 1.021 -1.334 1.00 14.25 C ATOM 6 CG LEU A 1 2.993 1.948 -2.541 1.00 25.33 C ATOM 7 CD1 LEU A 1 3.560 1.188 -3.730 1.00 21.31 C ATOM 8 CD2 LEU A 1 1.656 2.579 -2.897 1.00 52.53 C ATOM 0 H1 LEU A 1 0.462 0.815 -0.206 1.00 63.03 H new ATOM 0 H2 LEU A 1 0.206 -0.850 -0.423 1.00 63.03 H new ATOM 0 H3 LEU A 1 1.486 -0.307 0.551 1.00 63.03 H new ATOM 0 HA LEU A 1 1.194 0.092 -2.351 1.00 74.30 H new ATOM 0 HB2 LEU A 1 2.587 1.627 -0.465 1.00 14.25 H new ATOM 0 HB3 LEU A 1 3.813 0.565 -1.129 1.00 14.25 H new ATOM 0 HG LEU A 1 3.689 2.745 -2.280 1.00 25.33 H new ATOM 0 HD11 LEU A 1 3.659 1.863 -4.580 1.00 21.31 H new ATOM 0 HD12 LEU A 1 4.539 0.785 -3.471 1.00 21.31 H new ATOM 0 HD13 LEU A 1 2.889 0.370 -3.993 1.00 21.31 H new ATOM 0 HD21 LEU A 1 1.781 3.235 -3.758 1.00 52.53 H new ATOM 0 HD22 LEU A 1 0.937 1.796 -3.139 1.00 52.53 H new ATOM 0 HD23 LEU A 1 1.290 3.158 -2.049 1.00 52.53 H new ATOM 20 N GLN A 2 2.766 -1.809 -2.890 1.00 12.32 N ATOM 21 CA GLN A 2 3.433 -3.070 -3.189 1.00 73.41 C ATOM 22 C GLN A 2 4.561 -2.865 -4.194 1.00 41.43 C ATOM 23 O GLN A 2 4.502 -1.966 -5.034 1.00 62.34 O ATOM 24 CB GLN A 2 2.427 -4.086 -3.734 1.00 63.31 C ATOM 25 CG GLN A 2 1.814 -4.971 -2.661 1.00 23.31 C ATOM 26 CD GLN A 2 0.972 -6.091 -3.239 1.00 73.20 C ATOM 27 OE1 GLN A 2 -0.193 -6.259 -2.876 1.00 2.44 O ATOM 28 NE2 GLN A 2 1.557 -6.866 -4.145 1.00 41.40 N ATOM 0 H GLN A 2 2.525 -1.254 -3.711 1.00 12.32 H new ATOM 0 HA GLN A 2 3.862 -3.454 -2.263 1.00 73.41 H new ATOM 0 HB2 GLN A 2 1.630 -3.553 -4.253 1.00 63.31 H new ATOM 0 HB3 GLN A 2 2.923 -4.716 -4.473 1.00 63.31 H new ATOM 0 HG2 GLN A 2 2.609 -5.398 -2.050 1.00 23.31 H new ATOM 0 HG3 GLN A 2 1.197 -4.361 -2.001 1.00 23.31 H new ATOM 0 HE21 GLN A 2 2.524 -6.692 -4.417 1.00 41.40 H new ATOM 0 HE22 GLN A 2 1.039 -7.636 -4.569 1.00 41.40 H new ATOM 37 N CYS A 3 5.589 -3.702 -4.102 1.00 74.15 N ATOM 38 CA CYS A 3 6.732 -3.612 -5.003 1.00 32.43 C ATOM 39 C CYS A 3 7.121 -4.992 -5.527 1.00 53.42 C ATOM 40 O CYS A 3 6.974 -5.996 -4.832 1.00 14.54 O ATOM 41 CB CYS A 3 7.923 -2.973 -4.286 1.00 53.44 C ATOM 42 SG CYS A 3 7.482 -1.552 -3.234 1.00 70.23 S ATOM 0 H CYS A 3 5.654 -4.451 -3.412 1.00 74.15 H new ATOM 0 HA CYS A 3 6.448 -2.987 -5.850 1.00 32.43 H new ATOM 0 HB2 CYS A 3 8.412 -3.729 -3.671 1.00 53.44 H new ATOM 0 HB3 CYS A 3 8.650 -2.649 -5.030 1.00 53.44 H new ATOM 47 N ASN A 4 7.618 -5.031 -6.759 1.00 61.51 N ATOM 48 CA ASN A 4 8.028 -6.287 -7.377 1.00 62.05 C ATOM 49 C ASN A 4 9.433 -6.680 -6.930 1.00 72.43 C ATOM 50 O ASN A 4 10.211 -5.840 -6.478 1.00 22.01 O ATOM 51 CB ASN A 4 7.981 -6.168 -8.902 1.00 71.01 C ATOM 52 CG ASN A 4 6.600 -5.801 -9.411 1.00 20.52 C ATOM 53 OD1 ASN A 4 5.846 -6.661 -9.867 1.00 60.11 O ATOM 54 ND2 ASN A 4 6.263 -4.519 -9.335 1.00 33.34 N ATOM 0 H ASN A 4 7.746 -4.209 -7.348 1.00 61.51 H new ATOM 0 HA ASN A 4 7.333 -7.064 -7.058 1.00 62.05 H new ATOM 0 HB2 ASN A 4 8.697 -5.414 -9.227 1.00 71.01 H new ATOM 0 HB3 ASN A 4 8.290 -7.114 -9.347 1.00 71.01 H new ATOM 0 HD21 ASN A 4 5.347 -4.212 -9.662 1.00 33.34 H new ATOM 0 HD22 ASN A 4 6.920 -3.841 -8.950 1.00 33.34 H new ATOM 61 N THR A 5 9.752 -7.964 -7.060 1.00 73.54 N ATOM 62 CA THR A 5 11.062 -8.470 -6.670 1.00 35.22 C ATOM 63 C THR A 5 11.765 -9.139 -7.845 1.00 23.43 C ATOM 64 O THR A 5 11.144 -9.440 -8.865 1.00 35.45 O ATOM 65 CB THR A 5 10.952 -9.478 -5.510 1.00 74.11 C ATOM 66 OG1 THR A 5 9.601 -9.938 -5.388 1.00 23.55 O ATOM 67 CG2 THR A 5 11.398 -8.847 -4.200 1.00 44.32 C ATOM 0 H THR A 5 9.120 -8.673 -7.433 1.00 73.54 H new ATOM 0 HA THR A 5 11.648 -7.611 -6.341 1.00 35.22 H new ATOM 0 HB THR A 5 11.605 -10.323 -5.729 1.00 74.11 H new ATOM 0 HG1 THR A 5 9.223 -10.083 -6.280 1.00 23.55 H new ATOM 0 HG21 THR A 5 11.311 -9.578 -3.396 1.00 44.32 H new ATOM 0 HG22 THR A 5 12.435 -8.524 -4.286 1.00 44.32 H new ATOM 0 HG23 THR A 5 10.767 -7.986 -3.977 1.00 44.32 H new ATOM 75 N LEU A 6 13.065 -9.371 -7.696 1.00 11.32 N ATOM 76 CA LEU A 6 13.854 -10.006 -8.745 1.00 61.14 C ATOM 77 C LEU A 6 13.419 -11.453 -8.954 1.00 32.03 C ATOM 78 O LEU A 6 13.619 -12.024 -10.026 1.00 51.31 O ATOM 79 CB LEU A 6 15.342 -9.955 -8.394 1.00 10.31 C ATOM 80 CG LEU A 6 15.840 -11.027 -7.424 1.00 70.24 C ATOM 81 CD1 LEU A 6 16.316 -12.255 -8.185 1.00 44.22 C ATOM 82 CD2 LEU A 6 16.954 -10.476 -6.546 1.00 32.40 C ATOM 0 H LEU A 6 13.595 -9.129 -6.859 1.00 11.32 H new ATOM 0 HA LEU A 6 13.687 -9.458 -9.672 1.00 61.14 H new ATOM 0 HB2 LEU A 6 15.916 -10.034 -9.317 1.00 10.31 H new ATOM 0 HB3 LEU A 6 15.561 -8.977 -7.966 1.00 10.31 H new ATOM 0 HG LEU A 6 15.011 -11.322 -6.781 1.00 70.24 H new ATOM 0 HD11 LEU A 6 16.667 -13.007 -7.479 1.00 44.22 H new ATOM 0 HD12 LEU A 6 15.492 -12.663 -8.770 1.00 44.22 H new ATOM 0 HD13 LEU A 6 17.131 -11.976 -8.853 1.00 44.22 H new ATOM 0 HD21 LEU A 6 17.296 -11.253 -5.862 1.00 32.40 H new ATOM 0 HD22 LEU A 6 17.785 -10.153 -7.173 1.00 32.40 H new ATOM 0 HD23 LEU A 6 16.580 -9.627 -5.973 1.00 32.40 H new ATOM 94 N ASP A 7 12.821 -12.040 -7.923 1.00 0.34 N ATOM 95 CA ASP A 7 12.354 -13.419 -7.993 1.00 71.34 C ATOM 96 C ASP A 7 11.056 -13.513 -8.790 1.00 23.50 C ATOM 97 O ASP A 7 10.548 -14.605 -9.040 1.00 75.24 O ATOM 98 CB ASP A 7 12.145 -13.982 -6.587 1.00 22.43 C ATOM 99 CG ASP A 7 12.187 -15.498 -6.557 1.00 43.44 C ATOM 100 OD1 ASP A 7 13.279 -16.065 -6.771 1.00 51.43 O ATOM 101 OD2 ASP A 7 11.128 -16.116 -6.322 1.00 23.45 O ATOM 0 H ASP A 7 12.648 -11.582 -7.028 1.00 0.34 H new ATOM 0 HA ASP A 7 13.116 -14.009 -8.502 1.00 71.34 H new ATOM 0 HB2 ASP A 7 12.914 -13.587 -5.923 1.00 22.43 H new ATOM 0 HB3 ASP A 7 11.184 -13.640 -6.201 1.00 22.43 H new ATOM 106 N GLY A 8 10.525 -12.360 -9.185 1.00 30.32 N ATOM 107 CA GLY A 8 9.291 -12.335 -9.948 1.00 13.23 C ATOM 108 C GLY A 8 8.063 -12.249 -9.062 1.00 45.41 C ATOM 109 O GLY A 8 6.944 -12.113 -9.553 1.00 35.01 O ATOM 0 H GLY A 8 10.927 -11.443 -8.990 1.00 30.32 H new ATOM 0 HA2 GLY A 8 9.305 -11.483 -10.628 1.00 13.23 H new ATOM 0 HA3 GLY A 8 9.229 -13.233 -10.563 1.00 13.23 H new ATOM 113 N GLY A 9 8.274 -12.329 -7.752 1.00 21.13 N ATOM 114 CA GLY A 9 7.166 -12.259 -6.817 1.00 24.43 C ATOM 115 C GLY A 9 6.829 -10.835 -6.423 1.00 21.13 C ATOM 116 O GLY A 9 7.476 -9.888 -6.872 1.00 21.24 O ATOM 0 H GLY A 9 9.192 -12.441 -7.321 1.00 21.13 H new ATOM 0 HA2 GLY A 9 6.288 -12.727 -7.263 1.00 24.43 H new ATOM 0 HA3 GLY A 9 7.413 -12.831 -5.923 1.00 24.43 H new ATOM 120 N THR A 10 5.811 -10.680 -5.581 1.00 63.54 N ATOM 121 CA THR A 10 5.387 -9.362 -5.129 1.00 50.43 C ATOM 122 C THR A 10 5.616 -9.194 -3.632 1.00 4.34 C ATOM 123 O THR A 10 5.472 -10.143 -2.863 1.00 32.34 O ATOM 124 CB THR A 10 3.899 -9.113 -5.440 1.00 50.02 C ATOM 125 OG1 THR A 10 3.150 -10.318 -5.245 1.00 13.51 O ATOM 126 CG2 THR A 10 3.719 -8.624 -6.869 1.00 62.04 C ATOM 0 H THR A 10 5.265 -11.452 -5.199 1.00 63.54 H new ATOM 0 HA THR A 10 5.991 -8.633 -5.670 1.00 50.43 H new ATOM 0 HB THR A 10 3.532 -8.343 -4.761 1.00 50.02 H new ATOM 0 HG1 THR A 10 2.205 -10.151 -5.443 1.00 13.51 H new ATOM 0 HG21 THR A 10 2.660 -8.455 -7.065 1.00 62.04 H new ATOM 0 HG22 THR A 10 4.267 -7.692 -7.006 1.00 62.04 H new ATOM 0 HG23 THR A 10 4.101 -9.374 -7.561 1.00 62.04 H new ATOM 134 N GLU A 11 5.974 -7.980 -3.225 1.00 10.33 N ATOM 135 CA GLU A 11 6.223 -7.689 -1.818 1.00 3.12 C ATOM 136 C GLU A 11 5.393 -6.496 -1.353 1.00 42.55 C ATOM 137 O GLU A 11 5.133 -5.571 -2.123 1.00 4.03 O ATOM 138 CB GLU A 11 7.710 -7.411 -1.587 1.00 41.42 C ATOM 139 CG GLU A 11 8.629 -8.404 -2.278 1.00 5.22 C ATOM 140 CD GLU A 11 9.822 -8.787 -1.423 1.00 10.30 C ATOM 141 OE1 GLU A 11 10.529 -7.874 -0.947 1.00 31.31 O ATOM 142 OE2 GLU A 11 10.048 -10.000 -1.230 1.00 53.12 O ATOM 0 H GLU A 11 6.098 -7.183 -3.849 1.00 10.33 H new ATOM 0 HA GLU A 11 5.929 -8.562 -1.236 1.00 3.12 H new ATOM 0 HB2 GLU A 11 7.942 -6.407 -1.941 1.00 41.42 H new ATOM 0 HB3 GLU A 11 7.912 -7.426 -0.516 1.00 41.42 H new ATOM 0 HG2 GLU A 11 8.064 -9.302 -2.530 1.00 5.22 H new ATOM 0 HG3 GLU A 11 8.982 -7.975 -3.216 1.00 5.22 H new ATOM 149 N GLU A 12 4.980 -6.525 -0.090 1.00 42.02 N ATOM 150 CA GLU A 12 4.179 -5.447 0.476 1.00 15.40 C ATOM 151 C GLU A 12 5.070 -4.355 1.061 1.00 22.34 C ATOM 152 O GLU A 12 5.729 -4.557 2.082 1.00 42.01 O ATOM 153 CB GLU A 12 3.243 -5.991 1.558 1.00 52.54 C ATOM 154 CG GLU A 12 3.958 -6.784 2.638 1.00 72.51 C ATOM 155 CD GLU A 12 3.484 -8.223 2.715 1.00 41.12 C ATOM 156 OE1 GLU A 12 3.914 -9.035 1.869 1.00 45.53 O ATOM 157 OE2 GLU A 12 2.683 -8.537 3.620 1.00 4.11 O ATOM 0 H GLU A 12 5.187 -7.283 0.560 1.00 42.02 H new ATOM 0 HA GLU A 12 3.582 -5.013 -0.326 1.00 15.40 H new ATOM 0 HB2 GLU A 12 2.714 -5.158 2.021 1.00 52.54 H new ATOM 0 HB3 GLU A 12 2.491 -6.626 1.090 1.00 52.54 H new ATOM 0 HG2 GLU A 12 5.031 -6.768 2.445 1.00 72.51 H new ATOM 0 HG3 GLU A 12 3.801 -6.301 3.603 1.00 72.51 H new ATOM 164 N CYS A 13 5.086 -3.199 0.408 1.00 42.45 N ATOM 165 CA CYS A 13 5.897 -2.075 0.861 1.00 52.35 C ATOM 166 C CYS A 13 5.115 -1.198 1.835 1.00 61.21 C ATOM 167 O CYS A 13 4.151 -0.535 1.452 1.00 11.44 O ATOM 168 CB CYS A 13 6.361 -1.239 -0.334 1.00 60.42 C ATOM 169 SG CYS A 13 7.205 -2.201 -1.631 1.00 25.14 S ATOM 0 H CYS A 13 4.546 -3.015 -0.438 1.00 42.45 H new ATOM 0 HA CYS A 13 6.770 -2.474 1.378 1.00 52.35 H new ATOM 0 HB2 CYS A 13 5.497 -0.739 -0.772 1.00 60.42 H new ATOM 0 HB3 CYS A 13 7.034 -0.459 0.021 1.00 60.42 H new ATOM 174 N ILE A 14 5.538 -1.201 3.095 1.00 61.15 N ATOM 175 CA ILE A 14 4.879 -0.406 4.123 1.00 41.41 C ATOM 176 C ILE A 14 5.372 1.037 4.102 1.00 53.44 C ATOM 177 O ILE A 14 6.542 1.316 3.842 1.00 44.12 O ATOM 178 CB ILE A 14 5.112 -0.995 5.526 1.00 24.24 C ATOM 179 CG1 ILE A 14 6.611 -1.139 5.800 1.00 31.23 C ATOM 180 CG2 ILE A 14 4.413 -2.340 5.659 1.00 14.53 C ATOM 181 CD1 ILE A 14 6.929 -1.554 7.220 1.00 54.12 C ATOM 0 H ILE A 14 6.334 -1.745 3.428 1.00 61.15 H new ATOM 0 HA ILE A 14 3.812 -0.427 3.902 1.00 41.41 H new ATOM 0 HB ILE A 14 4.690 -0.313 6.264 1.00 24.24 H new ATOM 0 HG12 ILE A 14 7.029 -1.875 5.113 1.00 31.23 H new ATOM 0 HG13 ILE A 14 7.104 -0.190 5.589 1.00 31.23 H new ATOM 0 HG21 ILE A 14 4.587 -2.744 6.656 1.00 14.53 H new ATOM 0 HG22 ILE A 14 3.342 -2.211 5.502 1.00 14.53 H new ATOM 0 HG23 ILE A 14 4.808 -3.031 4.914 1.00 14.53 H new ATOM 0 HD11 ILE A 14 8.009 -1.636 7.342 1.00 54.12 H new ATOM 0 HD12 ILE A 14 6.542 -0.807 7.913 1.00 54.12 H new ATOM 0 HD13 ILE A 14 6.466 -2.518 7.430 1.00 54.12 H new ATOM 193 N PRO A 15 4.458 1.979 4.383 1.00 64.40 N ATOM 194 CA PRO A 15 4.777 3.409 4.405 1.00 10.30 C ATOM 195 C PRO A 15 5.671 3.786 5.581 1.00 0.04 C ATOM 196 O PRO A 15 5.187 4.195 6.636 1.00 53.44 O ATOM 197 CB PRO A 15 3.406 4.076 4.540 1.00 33.05 C ATOM 198 CG PRO A 15 2.548 3.049 5.196 1.00 4.13 C ATOM 199 CD PRO A 15 3.044 1.718 4.702 1.00 45.51 C ATOM 0 HA PRO A 15 5.331 3.717 3.518 1.00 10.30 H new ATOM 0 HB2 PRO A 15 3.465 4.984 5.140 1.00 33.05 H new ATOM 0 HB3 PRO A 15 3.007 4.362 3.567 1.00 33.05 H new ATOM 0 HG2 PRO A 15 2.622 3.114 6.282 1.00 4.13 H new ATOM 0 HG3 PRO A 15 1.499 3.195 4.938 1.00 4.13 H new ATOM 0 HD2 PRO A 15 2.940 0.943 5.461 1.00 45.51 H new ATOM 0 HD3 PRO A 15 2.489 1.382 3.826 1.00 45.51 H new ATOM 207 N GLY A 16 6.980 3.645 5.393 1.00 12.32 N ATOM 208 CA GLY A 16 7.921 3.976 6.448 1.00 74.43 C ATOM 209 C GLY A 16 9.350 3.632 6.078 1.00 31.21 C ATOM 210 O GLY A 16 10.200 4.516 5.970 1.00 53.23 O ATOM 0 H GLY A 16 7.405 3.308 4.530 1.00 12.32 H new ATOM 0 HA2 GLY A 16 7.853 5.041 6.671 1.00 74.43 H new ATOM 0 HA3 GLY A 16 7.646 3.442 7.357 1.00 74.43 H new ATOM 214 N ILE A 17 9.616 2.344 5.886 1.00 42.30 N ATOM 215 CA ILE A 17 10.953 1.886 5.527 1.00 12.53 C ATOM 216 C ILE A 17 11.108 1.776 4.014 1.00 5.14 C ATOM 217 O ILE A 17 12.220 1.835 3.488 1.00 21.13 O ATOM 218 CB ILE A 17 11.270 0.521 6.166 1.00 45.43 C ATOM 219 CG1 ILE A 17 10.965 0.552 7.665 1.00 65.42 C ATOM 220 CG2 ILE A 17 12.725 0.149 5.923 1.00 25.00 C ATOM 221 CD1 ILE A 17 9.586 0.038 8.011 1.00 15.01 C ATOM 0 H ILE A 17 8.924 1.600 5.973 1.00 42.30 H new ATOM 0 HA ILE A 17 11.655 2.628 5.908 1.00 12.53 H new ATOM 0 HB ILE A 17 10.639 -0.237 5.702 1.00 45.43 H new ATOM 0 HG12 ILE A 17 11.709 -0.045 8.191 1.00 65.42 H new ATOM 0 HG13 ILE A 17 11.064 1.575 8.027 1.00 65.42 H new ATOM 0 HG21 ILE A 17 12.935 -0.818 6.380 1.00 25.00 H new ATOM 0 HG22 ILE A 17 12.912 0.091 4.851 1.00 25.00 H new ATOM 0 HG23 ILE A 17 13.373 0.907 6.364 1.00 25.00 H new ATOM 0 HD11 ILE A 17 9.439 0.089 9.090 1.00 15.01 H new ATOM 0 HD12 ILE A 17 8.834 0.650 7.513 1.00 15.01 H new ATOM 0 HD13 ILE A 17 9.490 -0.996 7.680 1.00 15.01 H new ATOM 233 N TYR A 18 9.987 1.618 3.320 1.00 63.50 N ATOM 234 CA TYR A 18 9.999 1.498 1.867 1.00 54.42 C ATOM 235 C TYR A 18 9.014 2.476 1.232 1.00 4.43 C ATOM 236 O TYR A 18 7.804 2.255 1.249 1.00 65.22 O ATOM 237 CB TYR A 18 9.654 0.068 1.449 1.00 65.13 C ATOM 238 CG TYR A 18 10.431 -0.987 2.204 1.00 33.10 C ATOM 239 CD1 TYR A 18 11.797 -0.851 2.420 1.00 54.20 C ATOM 240 CD2 TYR A 18 9.799 -2.120 2.701 1.00 70.31 C ATOM 241 CE1 TYR A 18 12.510 -1.812 3.109 1.00 63.41 C ATOM 242 CE2 TYR A 18 10.504 -3.086 3.392 1.00 23.12 C ATOM 243 CZ TYR A 18 11.860 -2.928 3.593 1.00 14.15 C ATOM 244 OH TYR A 18 12.566 -3.888 4.280 1.00 30.54 O ATOM 0 H TYR A 18 9.059 1.570 3.740 1.00 63.50 H new ATOM 0 HA TYR A 18 11.002 1.740 1.516 1.00 54.42 H new ATOM 0 HB2 TYR A 18 8.588 -0.099 1.602 1.00 65.13 H new ATOM 0 HB3 TYR A 18 9.845 -0.046 0.382 1.00 65.13 H new ATOM 0 HD1 TYR A 18 12.310 0.021 2.042 1.00 54.20 H new ATOM 0 HD2 TYR A 18 8.738 -2.248 2.544 1.00 70.31 H new ATOM 0 HE1 TYR A 18 13.571 -1.690 3.268 1.00 63.41 H new ATOM 0 HE2 TYR A 18 9.997 -3.960 3.773 1.00 23.12 H new ATOM 0 HH TYR A 18 11.959 -4.607 4.553 1.00 30.54 H new ATOM 254 N ASN A 19 9.544 3.559 0.673 1.00 42.41 N ATOM 255 CA ASN A 19 8.714 4.573 0.032 1.00 34.41 C ATOM 256 C ASN A 19 9.076 4.720 -1.443 1.00 11.05 C ATOM 257 O ASN A 19 8.356 5.360 -2.209 1.00 74.31 O ATOM 258 CB ASN A 19 8.872 5.917 0.745 1.00 42.23 C ATOM 259 CG ASN A 19 10.292 6.155 1.221 1.00 21.15 C ATOM 260 OD1 ASN A 19 10.694 5.666 2.277 1.00 23.12 O ATOM 261 ND2 ASN A 19 11.059 6.910 0.443 1.00 31.40 N ATOM 0 H ASN A 19 10.544 3.757 0.651 1.00 42.41 H new ATOM 0 HA ASN A 19 7.674 4.253 0.102 1.00 34.41 H new ATOM 0 HB2 ASN A 19 8.579 6.720 0.069 1.00 42.23 H new ATOM 0 HB3 ASN A 19 8.195 5.955 1.598 1.00 42.23 H new ATOM 0 HD21 ASN A 19 12.023 7.105 0.712 1.00 31.40 H new ATOM 0 HD22 ASN A 19 10.684 7.295 -0.424 1.00 31.40 H new ATOM 268 N VAL A 20 10.197 4.123 -1.833 1.00 65.03 N ATOM 269 CA VAL A 20 10.655 4.186 -3.216 1.00 63.12 C ATOM 270 C VAL A 20 10.659 2.803 -3.857 1.00 64.41 C ATOM 271 O VAL A 20 10.420 1.796 -3.189 1.00 44.03 O ATOM 272 CB VAL A 20 12.070 4.788 -3.312 1.00 55.44 C ATOM 273 CG1 VAL A 20 12.069 6.232 -2.832 1.00 71.23 C ATOM 274 CG2 VAL A 20 13.059 3.953 -2.515 1.00 5.03 C ATOM 0 H VAL A 20 10.805 3.590 -1.211 1.00 65.03 H new ATOM 0 HA VAL A 20 9.957 4.830 -3.751 1.00 63.12 H new ATOM 0 HB VAL A 20 12.381 4.778 -4.357 1.00 55.44 H new ATOM 0 HG11 VAL A 20 13.077 6.641 -2.907 1.00 71.23 H new ATOM 0 HG12 VAL A 20 11.392 6.821 -3.451 1.00 71.23 H new ATOM 0 HG13 VAL A 20 11.738 6.270 -1.794 1.00 71.23 H new ATOM 0 HG21 VAL A 20 14.053 4.393 -2.594 1.00 5.03 H new ATOM 0 HG22 VAL A 20 12.755 3.929 -1.469 1.00 5.03 H new ATOM 0 HG23 VAL A 20 13.079 2.937 -2.910 1.00 5.03 H new ATOM 284 N CYS A 21 10.933 2.760 -5.157 1.00 20.33 N ATOM 285 CA CYS A 21 10.969 1.500 -5.890 1.00 12.11 C ATOM 286 C CYS A 21 11.809 1.632 -7.157 1.00 54.12 C ATOM 287 O CYS A 21 11.770 2.658 -7.837 1.00 20.13 O ATOM 288 CB CYS A 21 9.550 1.055 -6.249 1.00 70.43 C ATOM 289 SG CYS A 21 8.511 2.376 -6.952 1.00 64.24 S ATOM 0 H CYS A 21 11.133 3.584 -5.724 1.00 20.33 H new ATOM 0 HA CYS A 21 11.427 0.747 -5.248 1.00 12.11 H new ATOM 0 HB2 CYS A 21 9.608 0.234 -6.964 1.00 70.43 H new ATOM 0 HB3 CYS A 21 9.066 0.664 -5.354 1.00 70.43 H new ATOM 294 N VAL A 22 12.567 0.586 -7.469 1.00 42.13 N ATOM 295 CA VAL A 22 13.416 0.584 -8.655 1.00 74.41 C ATOM 296 C VAL A 22 13.295 -0.733 -9.414 1.00 65.10 C ATOM 297 O VAL A 22 13.249 -1.807 -8.813 1.00 4.23 O ATOM 298 CB VAL A 22 14.893 0.819 -8.289 1.00 11.42 C ATOM 299 CG1 VAL A 22 15.807 0.251 -9.363 1.00 60.14 C ATOM 300 CG2 VAL A 22 15.159 2.303 -8.080 1.00 65.44 C ATOM 0 H VAL A 22 12.611 -0.271 -6.917 1.00 42.13 H new ATOM 0 HA VAL A 22 13.073 1.400 -9.291 1.00 74.41 H new ATOM 0 HB VAL A 22 15.105 0.299 -7.355 1.00 11.42 H new ATOM 0 HG11 VAL A 22 16.847 0.427 -9.086 1.00 60.14 H new ATOM 0 HG12 VAL A 22 15.633 -0.821 -9.459 1.00 60.14 H new ATOM 0 HG13 VAL A 22 15.597 0.739 -10.315 1.00 60.14 H new ATOM 0 HG21 VAL A 22 16.207 2.452 -7.822 1.00 65.44 H new ATOM 0 HG22 VAL A 22 14.930 2.846 -8.997 1.00 65.44 H new ATOM 0 HG23 VAL A 22 14.530 2.675 -7.271 1.00 65.44 H new ATOM 310 N HIS A 23 13.246 -0.644 -10.739 1.00 54.44 N ATOM 311 CA HIS A 23 13.132 -1.829 -11.582 1.00 11.21 C ATOM 312 C HIS A 23 14.258 -1.874 -12.610 1.00 60.33 C ATOM 313 O HIS A 23 14.348 -1.013 -13.485 1.00 41.23 O ATOM 314 CB HIS A 23 11.777 -1.849 -12.291 1.00 3.44 C ATOM 315 CG HIS A 23 11.673 -2.899 -13.353 1.00 54.34 C ATOM 316 ND1 HIS A 23 10.829 -2.790 -14.439 1.00 10.33 N ATOM 317 CD2 HIS A 23 12.313 -4.083 -13.494 1.00 50.10 C ATOM 318 CE1 HIS A 23 10.954 -3.862 -15.200 1.00 34.11 C ATOM 319 NE2 HIS A 23 11.848 -4.662 -14.649 1.00 65.41 N ATOM 0 H HIS A 23 13.283 0.237 -11.252 1.00 54.44 H new ATOM 0 HA HIS A 23 13.212 -2.708 -10.943 1.00 11.21 H new ATOM 0 HB2 HIS A 23 10.992 -2.012 -11.552 1.00 3.44 H new ATOM 0 HB3 HIS A 23 11.596 -0.872 -12.739 1.00 3.44 H new ATOM 0 HD2 HIS A 23 13.052 -4.496 -12.823 1.00 50.10 H new ATOM 0 HE1 HIS A 23 10.416 -4.052 -16.117 1.00 34.11 H new ATOM 0 HE2 HIS A 23 12.145 -5.564 -15.021 1.00 65.41 H new ATOM 327 N TYR A 24 15.114 -2.883 -12.498 1.00 65.42 N ATOM 328 CA TYR A 24 16.237 -3.039 -13.416 1.00 74.21 C ATOM 329 C TYR A 24 15.946 -4.120 -14.453 1.00 23.11 C ATOM 330 O TYR A 24 15.800 -5.296 -14.118 1.00 1.21 O ATOM 331 CB TYR A 24 17.510 -3.387 -12.644 1.00 2.34 C ATOM 332 CG TYR A 24 18.763 -3.343 -13.490 1.00 14.44 C ATOM 333 CD1 TYR A 24 19.027 -4.334 -14.427 1.00 10.52 C ATOM 334 CD2 TYR A 24 19.681 -2.309 -13.352 1.00 62.11 C ATOM 335 CE1 TYR A 24 20.170 -4.298 -15.201 1.00 43.52 C ATOM 336 CE2 TYR A 24 20.827 -2.264 -14.123 1.00 74.23 C ATOM 337 CZ TYR A 24 21.067 -3.261 -15.046 1.00 11.11 C ATOM 338 OH TYR A 24 22.206 -3.221 -15.816 1.00 43.34 O ATOM 0 H TYR A 24 15.052 -3.606 -11.781 1.00 65.42 H new ATOM 0 HA TYR A 24 16.383 -2.092 -13.935 1.00 74.21 H new ATOM 0 HB2 TYR A 24 17.620 -2.694 -11.810 1.00 2.34 H new ATOM 0 HB3 TYR A 24 17.405 -4.384 -12.217 1.00 2.34 H new ATOM 0 HD1 TYR A 24 18.326 -5.146 -14.552 1.00 10.52 H new ATOM 0 HD2 TYR A 24 19.496 -1.527 -12.630 1.00 62.11 H new ATOM 0 HE1 TYR A 24 20.361 -5.077 -15.924 1.00 43.52 H new ATOM 0 HE2 TYR A 24 21.530 -1.453 -14.004 1.00 74.23 H new ATOM 0 HH TYR A 24 22.730 -2.426 -15.584 1.00 43.34 H new ATOM 348 N LYS A 25 15.865 -3.713 -15.715 1.00 73.21 N ATOM 349 CA LYS A 25 15.594 -4.645 -16.804 1.00 1.42 C ATOM 350 C LYS A 25 16.654 -4.529 -17.895 1.00 21.34 C ATOM 351 O LYS A 25 16.781 -3.491 -18.543 1.00 54.30 O ATOM 352 CB LYS A 25 14.208 -4.381 -17.395 1.00 55.23 C ATOM 353 CG LYS A 25 13.920 -5.183 -18.653 1.00 30.04 C ATOM 354 CD LYS A 25 12.511 -4.933 -19.164 1.00 0.14 C ATOM 355 CE LYS A 25 12.194 -5.801 -20.371 1.00 73.43 C ATOM 356 NZ LYS A 25 10.734 -6.069 -20.494 1.00 51.20 N ATOM 0 H LYS A 25 15.983 -2.744 -16.009 1.00 73.21 H new ATOM 0 HA LYS A 25 15.623 -5.657 -16.399 1.00 1.42 H new ATOM 0 HB2 LYS A 25 13.452 -4.614 -16.645 1.00 55.23 H new ATOM 0 HB3 LYS A 25 14.115 -3.319 -17.622 1.00 55.23 H new ATOM 0 HG2 LYS A 25 14.641 -4.919 -19.427 1.00 30.04 H new ATOM 0 HG3 LYS A 25 14.050 -6.245 -18.446 1.00 30.04 H new ATOM 0 HD2 LYS A 25 11.793 -5.137 -18.369 1.00 0.14 H new ATOM 0 HD3 LYS A 25 12.401 -3.882 -19.431 1.00 0.14 H new ATOM 0 HE2 LYS A 25 12.550 -5.309 -21.276 1.00 73.43 H new ATOM 0 HE3 LYS A 25 12.731 -6.746 -20.290 1.00 73.43 H new ATOM 0 HZ1 LYS A 25 10.559 -6.664 -21.329 1.00 51.20 H new ATOM 0 HZ2 LYS A 25 10.398 -6.562 -19.642 1.00 51.20 H new ATOM 0 HZ3 LYS A 25 10.223 -5.169 -20.597 1.00 51.20 H new ATOM 370 N SER A 26 17.412 -5.603 -18.092 1.00 44.15 N ATOM 371 CA SER A 26 18.463 -5.621 -19.104 1.00 11.14 C ATOM 372 C SER A 26 18.411 -6.910 -19.918 1.00 51.22 C ATOM 373 O SER A 26 17.821 -7.902 -19.492 1.00 21.01 O ATOM 374 CB SER A 26 19.836 -5.475 -18.445 1.00 62.52 C ATOM 375 OG SER A 26 20.090 -4.128 -18.088 1.00 4.10 O ATOM 0 H SER A 26 17.318 -6.471 -17.565 1.00 44.15 H new ATOM 0 HA SER A 26 18.300 -4.780 -19.778 1.00 11.14 H new ATOM 0 HB2 SER A 26 19.885 -6.105 -17.557 1.00 62.52 H new ATOM 0 HB3 SER A 26 20.610 -5.825 -19.128 1.00 62.52 H new ATOM 0 HG SER A 26 19.770 -3.965 -17.176 1.00 4.10 H new ATOM 381 N GLU A 27 19.033 -6.886 -21.093 1.00 12.40 N ATOM 382 CA GLU A 27 19.057 -8.052 -21.968 1.00 54.31 C ATOM 383 C GLU A 27 20.030 -9.104 -21.445 1.00 60.35 C ATOM 384 O GLU A 27 20.006 -10.257 -21.878 1.00 40.32 O ATOM 385 CB GLU A 27 19.446 -7.642 -23.390 1.00 23.11 C ATOM 386 CG GLU A 27 20.877 -7.146 -23.510 1.00 4.02 C ATOM 387 CD GLU A 27 21.127 -6.392 -24.801 1.00 41.33 C ATOM 388 OE1 GLU A 27 20.888 -5.166 -24.827 1.00 64.04 O ATOM 389 OE2 GLU A 27 21.561 -7.026 -25.785 1.00 74.34 O ATOM 0 H GLU A 27 19.526 -6.072 -21.460 1.00 12.40 H new ATOM 0 HA GLU A 27 18.056 -8.484 -21.984 1.00 54.31 H new ATOM 0 HB2 GLU A 27 19.309 -8.494 -24.055 1.00 23.11 H new ATOM 0 HB3 GLU A 27 18.769 -6.859 -23.731 1.00 23.11 H new ATOM 0 HG2 GLU A 27 21.104 -6.497 -22.665 1.00 4.02 H new ATOM 0 HG3 GLU A 27 21.558 -7.995 -23.452 1.00 4.02 H new ATOM 396 N ASP A 28 20.885 -8.699 -20.513 1.00 63.42 N ATOM 397 CA ASP A 28 21.867 -9.607 -19.930 1.00 41.44 C ATOM 398 C ASP A 28 21.433 -10.056 -18.539 1.00 33.50 C ATOM 399 O ASP A 28 21.834 -11.120 -18.067 1.00 52.23 O ATOM 400 CB ASP A 28 23.237 -8.931 -19.857 1.00 2.31 C ATOM 401 CG ASP A 28 24.375 -9.898 -20.118 1.00 31.25 C ATOM 402 OD1 ASP A 28 24.707 -10.684 -19.205 1.00 74.22 O ATOM 403 OD2 ASP A 28 24.933 -9.870 -21.234 1.00 70.01 O ATOM 0 H ASP A 28 20.919 -7.748 -20.145 1.00 63.42 H new ATOM 0 HA ASP A 28 21.938 -10.486 -20.570 1.00 41.44 H new ATOM 0 HB2 ASP A 28 23.278 -8.121 -20.585 1.00 2.31 H new ATOM 0 HB3 ASP A 28 23.365 -8.481 -18.872 1.00 2.31 H new ATOM 408 N GLU A 29 20.612 -9.239 -17.888 1.00 14.34 N ATOM 409 CA GLU A 29 20.125 -9.553 -16.549 1.00 40.53 C ATOM 410 C GLU A 29 18.863 -8.757 -16.229 1.00 2.43 C ATOM 411 O GLU A 29 18.528 -7.799 -16.925 1.00 1.23 O ATOM 412 CB GLU A 29 21.206 -9.258 -15.507 1.00 51.53 C ATOM 413 CG GLU A 29 21.429 -7.774 -15.265 1.00 32.23 C ATOM 414 CD GLU A 29 22.727 -7.491 -14.535 1.00 24.24 C ATOM 415 OE1 GLU A 29 23.549 -8.422 -14.402 1.00 44.35 O ATOM 416 OE2 GLU A 29 22.921 -6.338 -14.096 1.00 22.14 O ATOM 0 H GLU A 29 20.270 -8.355 -18.265 1.00 14.34 H new ATOM 0 HA GLU A 29 19.881 -10.615 -16.518 1.00 40.53 H new ATOM 0 HB2 GLU A 29 20.931 -9.734 -14.566 1.00 51.53 H new ATOM 0 HB3 GLU A 29 22.144 -9.710 -15.831 1.00 51.53 H new ATOM 0 HG2 GLU A 29 21.432 -7.250 -16.221 1.00 32.23 H new ATOM 0 HG3 GLU A 29 20.596 -7.375 -14.686 1.00 32.23 H new ATOM 423 N GLU A 30 18.168 -9.161 -15.170 1.00 60.53 N ATOM 424 CA GLU A 30 16.943 -8.487 -14.758 1.00 54.04 C ATOM 425 C GLU A 30 16.662 -8.724 -13.277 1.00 64.33 C ATOM 426 O GLU A 30 16.582 -9.867 -12.825 1.00 0.52 O ATOM 427 CB GLU A 30 15.759 -8.974 -15.597 1.00 62.41 C ATOM 428 CG GLU A 30 14.428 -8.372 -15.180 1.00 3.40 C ATOM 429 CD GLU A 30 13.287 -8.794 -16.085 1.00 44.22 C ATOM 430 OE1 GLU A 30 13.167 -10.006 -16.360 1.00 75.20 O ATOM 431 OE2 GLU A 30 12.516 -7.913 -16.519 1.00 0.13 O ATOM 0 H GLU A 30 18.433 -9.952 -14.582 1.00 60.53 H new ATOM 0 HA GLU A 30 17.077 -7.417 -14.918 1.00 54.04 H new ATOM 0 HB2 GLU A 30 15.944 -8.735 -16.644 1.00 62.41 H new ATOM 0 HB3 GLU A 30 15.696 -10.060 -15.524 1.00 62.41 H new ATOM 0 HG2 GLU A 30 14.204 -8.670 -14.156 1.00 3.40 H new ATOM 0 HG3 GLU A 30 14.508 -7.285 -15.185 1.00 3.40 H new ATOM 438 N TYR A 31 16.515 -7.638 -12.528 1.00 4.52 N ATOM 439 CA TYR A 31 16.247 -7.726 -11.097 1.00 63.23 C ATOM 440 C TYR A 31 15.565 -6.459 -10.591 1.00 75.14 C ATOM 441 O TYR A 31 15.588 -5.420 -11.252 1.00 21.31 O ATOM 442 CB TYR A 31 17.548 -7.960 -10.327 1.00 31.41 C ATOM 443 CG TYR A 31 18.525 -6.811 -10.425 1.00 41.21 C ATOM 444 CD1 TYR A 31 18.367 -5.670 -9.648 1.00 55.14 C ATOM 445 CD2 TYR A 31 19.608 -6.866 -11.294 1.00 71.32 C ATOM 446 CE1 TYR A 31 19.257 -4.617 -9.735 1.00 74.05 C ATOM 447 CE2 TYR A 31 20.504 -5.819 -11.387 1.00 11.22 C ATOM 448 CZ TYR A 31 20.324 -4.696 -10.606 1.00 33.31 C ATOM 449 OH TYR A 31 21.213 -3.650 -10.695 1.00 23.25 O ATOM 0 H TYR A 31 16.577 -6.685 -12.887 1.00 4.52 H new ATOM 0 HA TYR A 31 15.576 -8.569 -10.930 1.00 63.23 H new ATOM 0 HB2 TYR A 31 17.312 -8.137 -9.278 1.00 31.41 H new ATOM 0 HB3 TYR A 31 18.025 -8.865 -10.703 1.00 31.41 H new ATOM 0 HD1 TYR A 31 17.534 -5.605 -8.964 1.00 55.14 H new ATOM 0 HD2 TYR A 31 19.752 -7.743 -11.908 1.00 71.32 H new ATOM 0 HE1 TYR A 31 19.118 -3.737 -9.125 1.00 74.05 H new ATOM 0 HE2 TYR A 31 21.341 -5.879 -12.067 1.00 11.22 H new ATOM 0 HH TYR A 31 20.965 -3.073 -11.448 1.00 23.25 H new ATOM 459 N LYS A 32 14.956 -6.553 -9.414 1.00 5.43 N ATOM 460 CA LYS A 32 14.268 -5.415 -8.815 1.00 73.33 C ATOM 461 C LYS A 32 14.534 -5.346 -7.315 1.00 34.32 C ATOM 462 O LYS A 32 14.448 -6.354 -6.613 1.00 5.22 O ATOM 463 CB LYS A 32 12.762 -5.511 -9.073 1.00 63.03 C ATOM 464 CG LYS A 32 12.399 -5.552 -10.548 1.00 23.14 C ATOM 465 CD LYS A 32 11.030 -6.172 -10.768 1.00 34.04 C ATOM 466 CE LYS A 32 11.025 -7.100 -11.973 1.00 11.02 C ATOM 467 NZ LYS A 32 10.166 -6.578 -13.071 1.00 52.14 N ATOM 0 H LYS A 32 14.925 -7.406 -8.855 1.00 5.43 H new ATOM 0 HA LYS A 32 14.653 -4.505 -9.276 1.00 73.33 H new ATOM 0 HB2 LYS A 32 12.375 -6.407 -8.587 1.00 63.03 H new ATOM 0 HB3 LYS A 32 12.267 -4.658 -8.609 1.00 63.03 H new ATOM 0 HG2 LYS A 32 12.411 -4.541 -10.955 1.00 23.14 H new ATOM 0 HG3 LYS A 32 13.150 -6.124 -11.093 1.00 23.14 H new ATOM 0 HD2 LYS A 32 10.734 -6.728 -9.878 1.00 34.04 H new ATOM 0 HD3 LYS A 32 10.291 -5.384 -10.912 1.00 34.04 H new ATOM 0 HE2 LYS A 32 12.044 -7.227 -12.338 1.00 11.02 H new ATOM 0 HE3 LYS A 32 10.670 -8.085 -11.671 1.00 11.02 H new ATOM 0 HZ1 LYS A 32 9.748 -7.374 -13.593 1.00 52.14 H new ATOM 0 HZ2 LYS A 32 9.408 -5.991 -12.669 1.00 52.14 H new ATOM 0 HZ3 LYS A 32 10.742 -6.004 -13.719 1.00 52.14 H new ATOM 481 N SER A 33 14.854 -4.151 -6.830 1.00 25.14 N ATOM 482 CA SER A 33 15.135 -3.952 -5.413 1.00 11.44 C ATOM 483 C SER A 33 15.169 -2.465 -5.070 1.00 32.34 C ATOM 484 O SER A 33 15.618 -1.642 -5.867 1.00 61.05 O ATOM 485 CB SER A 33 16.467 -4.604 -5.038 1.00 2.41 C ATOM 486 OG SER A 33 16.306 -5.990 -4.794 1.00 34.04 O ATOM 0 H SER A 33 14.925 -3.306 -7.397 1.00 25.14 H new ATOM 0 HA SER A 33 14.335 -4.422 -4.840 1.00 11.44 H new ATOM 0 HB2 SER A 33 17.188 -4.455 -5.842 1.00 2.41 H new ATOM 0 HB3 SER A 33 16.875 -4.120 -4.150 1.00 2.41 H new ATOM 0 HG SER A 33 15.445 -6.288 -5.154 1.00 34.04 H new ATOM 492 N CYS A 34 14.690 -2.129 -3.876 1.00 43.05 N ATOM 493 CA CYS A 34 14.664 -0.743 -3.425 1.00 42.25 C ATOM 494 C CYS A 34 14.049 -0.635 -2.033 1.00 72.32 C ATOM 495 O CYS A 34 13.842 -1.641 -1.355 1.00 51.40 O ATOM 496 CB CYS A 34 13.876 0.121 -4.412 1.00 0.54 C ATOM 497 SG CYS A 34 14.667 1.715 -4.801 1.00 5.53 S ATOM 0 H CYS A 34 14.315 -2.798 -3.204 1.00 43.05 H new ATOM 0 HA CYS A 34 15.692 -0.383 -3.377 1.00 42.25 H new ATOM 0 HB2 CYS A 34 13.736 -0.438 -5.337 1.00 0.54 H new ATOM 0 HB3 CYS A 34 12.884 0.310 -4.001 1.00 0.54 H new ATOM 0 HG CYS A 34 15.855 1.750 -4.274 1.00 5.53 H new ATOM 502 N GLY A 35 13.758 0.593 -1.614 1.00 22.42 N ATOM 503 CA GLY A 35 13.169 0.810 -0.305 1.00 65.42 C ATOM 504 C GLY A 35 13.152 2.274 0.087 1.00 33.41 C ATOM 505 O GLY A 35 12.115 2.933 0.001 1.00 5.34 O ATOM 0 H GLY A 35 13.919 1.441 -2.157 1.00 22.42 H new ATOM 0 HA2 GLY A 35 12.150 0.424 -0.300 1.00 65.42 H new ATOM 0 HA3 GLY A 35 13.728 0.244 0.440 1.00 65.42 H new ATOM 509 N ILE A 36 14.300 2.782 0.520 1.00 43.52 N ATOM 510 CA ILE A 36 14.412 4.178 0.927 1.00 32.42 C ATOM 511 C ILE A 36 15.181 4.992 -0.107 1.00 1.41 C ATOM 512 O ILE A 36 16.216 4.556 -0.610 1.00 30.12 O ATOM 513 CB ILE A 36 15.111 4.311 2.293 1.00 50.00 C ATOM 514 CG1 ILE A 36 16.320 3.376 2.365 1.00 31.11 C ATOM 515 CG2 ILE A 36 14.134 4.010 3.420 1.00 50.52 C ATOM 516 CD1 ILE A 36 17.112 3.510 3.647 1.00 71.12 C ATOM 0 H ILE A 36 15.166 2.249 0.598 1.00 43.52 H new ATOM 0 HA ILE A 36 13.397 4.566 1.008 1.00 32.42 H new ATOM 0 HB ILE A 36 15.461 5.337 2.407 1.00 50.00 H new ATOM 0 HG12 ILE A 36 15.979 2.346 2.264 1.00 31.11 H new ATOM 0 HG13 ILE A 36 16.977 3.579 1.519 1.00 31.11 H new ATOM 0 HG21 ILE A 36 14.643 4.108 4.379 1.00 50.52 H new ATOM 0 HG22 ILE A 36 13.302 4.713 3.377 1.00 50.52 H new ATOM 0 HG23 ILE A 36 13.756 2.993 3.312 1.00 50.52 H new ATOM 0 HD11 ILE A 36 17.954 2.818 3.629 1.00 71.12 H new ATOM 0 HD12 ILE A 36 17.483 4.530 3.740 1.00 71.12 H new ATOM 0 HD13 ILE A 36 16.470 3.278 4.497 1.00 71.12 H new ATOM 528 N GLN A 37 14.669 6.179 -0.418 1.00 33.32 N ATOM 529 CA GLN A 37 15.309 7.055 -1.391 1.00 52.35 C ATOM 530 C GLN A 37 16.788 7.240 -1.068 1.00 13.31 C ATOM 531 O GLN A 37 17.605 7.456 -1.962 1.00 4.23 O ATOM 532 CB GLN A 37 14.608 8.414 -1.424 1.00 13.50 C ATOM 533 CG GLN A 37 15.007 9.277 -2.611 1.00 35.52 C ATOM 534 CD GLN A 37 13.937 9.322 -3.685 1.00 25.33 C ATOM 535 OE1 GLN A 37 13.272 10.341 -3.872 1.00 64.24 O ATOM 536 NE2 GLN A 37 13.766 8.214 -4.397 1.00 45.21 N ATOM 0 H GLN A 37 13.813 6.555 -0.010 1.00 33.32 H new ATOM 0 HA GLN A 37 15.226 6.588 -2.372 1.00 52.35 H new ATOM 0 HB2 GLN A 37 13.530 8.257 -1.446 1.00 13.50 H new ATOM 0 HB3 GLN A 37 14.833 8.952 -0.503 1.00 13.50 H new ATOM 0 HG2 GLN A 37 15.213 10.290 -2.266 1.00 35.52 H new ATOM 0 HG3 GLN A 37 15.932 8.892 -3.041 1.00 35.52 H new ATOM 0 HE21 GLN A 37 14.340 7.392 -4.208 1.00 45.21 H new ATOM 0 HE22 GLN A 37 13.061 8.185 -5.133 1.00 45.21 H new ATOM 545 N GLU A 38 17.123 7.155 0.216 1.00 71.43 N ATOM 546 CA GLU A 38 18.504 7.314 0.656 1.00 12.11 C ATOM 547 C GLU A 38 19.381 6.189 0.115 1.00 31.30 C ATOM 548 O GLU A 38 20.528 6.413 -0.268 1.00 64.35 O ATOM 549 CB GLU A 38 18.575 7.341 2.184 1.00 1.33 C ATOM 550 CG GLU A 38 19.795 8.068 2.724 1.00 44.21 C ATOM 551 CD GLU A 38 19.943 7.924 4.226 1.00 2.42 C ATOM 552 OE1 GLU A 38 19.369 6.970 4.791 1.00 40.22 O ATOM 553 OE2 GLU A 38 20.634 8.767 4.837 1.00 70.20 O ATOM 0 H GLU A 38 16.458 6.977 0.969 1.00 71.43 H new ATOM 0 HA GLU A 38 18.876 8.261 0.265 1.00 12.11 H new ATOM 0 HB2 GLU A 38 17.676 7.819 2.573 1.00 1.33 H new ATOM 0 HB3 GLU A 38 18.578 6.317 2.557 1.00 1.33 H new ATOM 0 HG2 GLU A 38 20.689 7.681 2.236 1.00 44.21 H new ATOM 0 HG3 GLU A 38 19.725 9.126 2.469 1.00 44.21 H new ATOM 560 N GLU A 39 18.831 4.979 0.088 1.00 22.55 N ATOM 561 CA GLU A 39 19.564 3.818 -0.404 1.00 40.10 C ATOM 562 C GLU A 39 19.441 3.700 -1.920 1.00 54.04 C ATOM 563 O GLU A 39 20.386 3.305 -2.603 1.00 24.01 O ATOM 564 CB GLU A 39 19.048 2.541 0.262 1.00 74.24 C ATOM 565 CG GLU A 39 19.429 2.421 1.728 1.00 41.44 C ATOM 566 CD GLU A 39 20.876 2.011 1.922 1.00 11.54 C ATOM 567 OE1 GLU A 39 21.634 2.019 0.930 1.00 31.42 O ATOM 568 OE2 GLU A 39 21.250 1.684 3.068 1.00 32.21 O ATOM 0 H GLU A 39 17.881 4.777 0.401 1.00 22.55 H new ATOM 0 HA GLU A 39 20.616 3.951 -0.151 1.00 40.10 H new ATOM 0 HB2 GLU A 39 17.962 2.509 0.174 1.00 74.24 H new ATOM 0 HB3 GLU A 39 19.437 1.677 -0.277 1.00 74.24 H new ATOM 0 HG2 GLU A 39 19.256 3.376 2.224 1.00 41.44 H new ATOM 0 HG3 GLU A 39 18.780 1.690 2.210 1.00 41.44 H new ATOM 575 N CYS A 40 18.268 4.045 -2.441 1.00 73.12 N ATOM 576 CA CYS A 40 18.018 3.977 -3.876 1.00 0.40 C ATOM 577 C CYS A 40 18.815 5.047 -4.618 1.00 34.04 C ATOM 578 O CYS A 40 19.270 4.829 -5.740 1.00 23.54 O ATOM 579 CB CYS A 40 16.525 4.147 -4.163 1.00 71.24 C ATOM 580 SG CYS A 40 15.703 2.629 -4.746 1.00 32.05 S ATOM 0 H CYS A 40 17.475 4.375 -1.890 1.00 73.12 H new ATOM 0 HA CYS A 40 18.340 2.998 -4.230 1.00 0.40 H new ATOM 0 HB2 CYS A 40 16.028 4.491 -3.256 1.00 71.24 H new ATOM 0 HB3 CYS A 40 16.396 4.928 -4.912 1.00 71.24 H new ATOM 0 HG CYS A 40 14.576 2.477 -4.116 1.00 32.05 H new ATOM 585 N GLU A 41 18.978 6.203 -3.982 1.00 32.13 N ATOM 586 CA GLU A 41 19.719 7.306 -4.582 1.00 12.22 C ATOM 587 C GLU A 41 21.197 6.956 -4.723 1.00 23.33 C ATOM 588 O GLU A 41 21.933 7.608 -5.463 1.00 40.14 O ATOM 589 CB GLU A 41 19.562 8.573 -3.739 1.00 12.42 C ATOM 590 CG GLU A 41 20.220 9.798 -4.352 1.00 62.21 C ATOM 591 CD GLU A 41 19.680 11.096 -3.785 1.00 1.31 C ATOM 592 OE1 GLU A 41 19.989 11.406 -2.615 1.00 35.52 O ATOM 593 OE2 GLU A 41 18.949 11.803 -4.510 1.00 64.32 O ATOM 0 H GLU A 41 18.607 6.400 -3.052 1.00 32.13 H new ATOM 0 HA GLU A 41 19.310 7.486 -5.576 1.00 12.22 H new ATOM 0 HB2 GLU A 41 18.500 8.775 -3.596 1.00 12.42 H new ATOM 0 HB3 GLU A 41 19.989 8.397 -2.752 1.00 12.42 H new ATOM 0 HG2 GLU A 41 21.296 9.751 -4.182 1.00 62.21 H new ATOM 0 HG3 GLU A 41 20.067 9.786 -5.431 1.00 62.21 H new ATOM 600 N ASP A 42 21.625 5.922 -4.006 1.00 72.13 N ATOM 601 CA ASP A 42 23.015 5.483 -4.051 1.00 11.41 C ATOM 602 C ASP A 42 23.476 5.284 -5.491 1.00 51.14 C ATOM 603 O ASP A 42 24.653 5.457 -5.806 1.00 71.22 O ATOM 604 CB ASP A 42 23.188 4.184 -3.263 1.00 13.13 C ATOM 605 CG ASP A 42 22.937 2.954 -4.112 1.00 72.23 C ATOM 606 OD1 ASP A 42 21.839 2.852 -4.698 1.00 71.23 O ATOM 607 OD2 ASP A 42 23.838 2.092 -4.191 1.00 10.54 O ATOM 0 H ASP A 42 21.029 5.372 -3.387 1.00 72.13 H new ATOM 0 HA ASP A 42 23.630 6.259 -3.596 1.00 11.41 H new ATOM 0 HB2 ASP A 42 24.198 4.141 -2.856 1.00 13.13 H new ATOM 0 HB3 ASP A 42 22.503 4.183 -2.415 1.00 13.13 H new ATOM 612 N ALA A 43 22.540 4.919 -6.362 1.00 23.34 N ATOM 613 CA ALA A 43 22.850 4.697 -7.768 1.00 63.24 C ATOM 614 C ALA A 43 23.555 5.907 -8.373 1.00 33.32 C ATOM 615 O ALA A 43 22.918 6.908 -8.699 1.00 74.51 O ATOM 616 CB ALA A 43 21.581 4.380 -8.545 1.00 52.21 C ATOM 0 H ALA A 43 21.561 4.771 -6.118 1.00 23.34 H new ATOM 0 HA ALA A 43 23.526 3.845 -7.835 1.00 63.24 H new ATOM 0 HB1 ALA A 43 21.828 4.217 -9.594 1.00 52.21 H new ATOM 0 HB2 ALA A 43 21.119 3.481 -8.137 1.00 52.21 H new ATOM 0 HB3 ALA A 43 20.885 5.215 -8.462 1.00 52.21 H new ATOM 622 N GLU A 44 24.872 5.807 -8.518 1.00 44.12 N ATOM 623 CA GLU A 44 25.662 6.895 -9.082 1.00 44.31 C ATOM 624 C GLU A 44 25.280 7.147 -10.538 1.00 5.10 C ATOM 625 O GLU A 44 25.172 6.214 -11.333 1.00 12.42 O ATOM 626 CB GLU A 44 27.155 6.576 -8.983 1.00 64.20 C ATOM 627 CG GLU A 44 27.771 6.952 -7.646 1.00 10.12 C ATOM 628 CD GLU A 44 27.370 6.005 -6.532 1.00 33.13 C ATOM 629 OE1 GLU A 44 27.343 4.780 -6.776 1.00 10.32 O ATOM 630 OE2 GLU A 44 27.082 6.488 -5.417 1.00 22.44 O ATOM 0 H GLU A 44 25.414 4.985 -8.253 1.00 44.12 H new ATOM 0 HA GLU A 44 25.452 7.797 -8.508 1.00 44.31 H new ATOM 0 HB2 GLU A 44 27.302 5.510 -9.154 1.00 64.20 H new ATOM 0 HB3 GLU A 44 27.684 7.102 -9.778 1.00 64.20 H new ATOM 0 HG2 GLU A 44 28.857 6.958 -7.739 1.00 10.12 H new ATOM 0 HG3 GLU A 44 27.468 7.965 -7.383 1.00 10.12 H new ATOM 637 N GLY A 45 25.077 8.416 -10.880 1.00 23.04 N ATOM 638 CA GLY A 45 24.709 8.769 -12.238 1.00 60.53 C ATOM 639 C GLY A 45 23.414 8.114 -12.676 1.00 53.23 C ATOM 640 O GLY A 45 23.131 8.020 -13.870 1.00 51.02 O ATOM 0 H GLY A 45 25.161 9.206 -10.240 1.00 23.04 H new ATOM 0 HA2 GLY A 45 24.609 9.852 -12.314 1.00 60.53 H new ATOM 0 HA3 GLY A 45 25.509 8.474 -12.917 1.00 60.53 H new ATOM 644 N ALA A 46 22.625 7.659 -11.708 1.00 4.42 N ATOM 645 CA ALA A 46 21.353 7.011 -12.000 1.00 21.32 C ATOM 646 C ALA A 46 20.191 7.775 -11.375 1.00 40.30 C ATOM 647 O ALA A 46 20.379 8.564 -10.448 1.00 42.23 O ATOM 648 CB ALA A 46 21.368 5.572 -11.504 1.00 42.24 C ATOM 0 H ALA A 46 22.845 7.727 -10.714 1.00 4.42 H new ATOM 0 HA ALA A 46 21.214 7.010 -13.081 1.00 21.32 H new ATOM 0 HB1 ALA A 46 20.412 5.100 -11.729 1.00 42.24 H new ATOM 0 HB2 ALA A 46 22.169 5.024 -12.001 1.00 42.24 H new ATOM 0 HB3 ALA A 46 21.534 5.560 -10.427 1.00 42.24 H new ATOM 654 N THR A 47 18.988 7.538 -11.888 1.00 71.45 N ATOM 655 CA THR A 47 17.795 8.205 -11.382 1.00 44.13 C ATOM 656 C THR A 47 16.799 7.198 -10.819 1.00 51.32 C ATOM 657 O THR A 47 16.619 6.113 -11.371 1.00 20.51 O ATOM 658 CB THR A 47 17.105 9.033 -12.483 1.00 21.13 C ATOM 659 OG1 THR A 47 16.055 9.824 -11.915 1.00 30.42 O ATOM 660 CG2 THR A 47 16.537 8.127 -13.565 1.00 14.42 C ATOM 0 H THR A 47 18.814 6.888 -12.655 1.00 71.45 H new ATOM 0 HA THR A 47 18.120 8.874 -10.585 1.00 44.13 H new ATOM 0 HB THR A 47 17.849 9.689 -12.935 1.00 21.13 H new ATOM 0 HG1 THR A 47 15.622 10.349 -12.621 1.00 30.42 H new ATOM 0 HG21 THR A 47 16.055 8.734 -14.331 1.00 14.42 H new ATOM 0 HG22 THR A 47 17.343 7.548 -14.015 1.00 14.42 H new ATOM 0 HG23 THR A 47 15.805 7.449 -13.125 1.00 14.42 H new ATOM 668 N VAL A 48 16.152 7.565 -9.717 1.00 43.43 N ATOM 669 CA VAL A 48 15.172 6.694 -9.080 1.00 52.52 C ATOM 670 C VAL A 48 13.792 7.343 -9.059 1.00 62.24 C ATOM 671 O VAL A 48 13.602 8.405 -8.466 1.00 1.24 O ATOM 672 CB VAL A 48 15.585 6.345 -7.638 1.00 14.20 C ATOM 673 CG1 VAL A 48 15.847 7.611 -6.836 1.00 34.10 C ATOM 674 CG2 VAL A 48 14.516 5.493 -6.970 1.00 63.42 C ATOM 0 H VAL A 48 16.289 8.460 -9.247 1.00 43.43 H new ATOM 0 HA VAL A 48 15.131 5.778 -9.670 1.00 52.52 H new ATOM 0 HB VAL A 48 16.509 5.768 -7.673 1.00 14.20 H new ATOM 0 HG11 VAL A 48 16.138 7.344 -5.820 1.00 34.10 H new ATOM 0 HG12 VAL A 48 16.650 8.180 -7.306 1.00 34.10 H new ATOM 0 HG13 VAL A 48 14.942 8.217 -6.807 1.00 34.10 H new ATOM 0 HG21 VAL A 48 14.824 5.255 -5.952 1.00 63.42 H new ATOM 0 HG22 VAL A 48 13.575 6.043 -6.946 1.00 63.42 H new ATOM 0 HG23 VAL A 48 14.382 4.570 -7.533 1.00 63.42 H new ATOM 684 N LEU A 49 12.831 6.697 -9.711 1.00 4.01 N ATOM 685 CA LEU A 49 11.467 7.210 -9.767 1.00 51.13 C ATOM 686 C LEU A 49 10.465 6.140 -9.348 1.00 32.44 C ATOM 687 O LEU A 49 10.549 4.990 -9.782 1.00 2.40 O ATOM 688 CB LEU A 49 11.144 7.702 -11.179 1.00 71.23 C ATOM 689 CG LEU A 49 9.668 7.973 -11.474 1.00 43.14 C ATOM 690 CD1 LEU A 49 9.518 9.196 -12.366 1.00 64.22 C ATOM 691 CD2 LEU A 49 9.021 6.757 -12.121 1.00 22.24 C ATOM 0 H LEU A 49 12.971 5.817 -10.208 1.00 4.01 H new ATOM 0 HA LEU A 49 11.391 8.045 -9.071 1.00 51.13 H new ATOM 0 HB2 LEU A 49 11.704 8.619 -11.360 1.00 71.23 H new ATOM 0 HB3 LEU A 49 11.506 6.961 -11.892 1.00 71.23 H new ATOM 0 HG LEU A 49 9.159 8.171 -10.531 1.00 43.14 H new ATOM 0 HD11 LEU A 49 8.461 9.374 -12.565 1.00 64.22 H new ATOM 0 HD12 LEU A 49 9.944 10.066 -11.866 1.00 64.22 H new ATOM 0 HD13 LEU A 49 10.041 9.026 -13.307 1.00 64.22 H new ATOM 0 HD21 LEU A 49 7.971 6.968 -12.324 1.00 22.24 H new ATOM 0 HD22 LEU A 49 9.532 6.527 -13.056 1.00 22.24 H new ATOM 0 HD23 LEU A 49 9.096 5.903 -11.447 1.00 22.24 H new ATOM 703 N CYS A 50 9.515 6.525 -8.502 1.00 31.41 N ATOM 704 CA CYS A 50 8.495 5.599 -8.024 1.00 54.33 C ATOM 705 C CYS A 50 7.096 6.141 -8.303 1.00 55.03 C ATOM 706 O CYS A 50 6.876 7.353 -8.306 1.00 32.44 O ATOM 707 CB CYS A 50 8.666 5.348 -6.525 1.00 23.50 C ATOM 708 SG CYS A 50 7.971 3.764 -5.953 1.00 24.14 S ATOM 0 H CYS A 50 9.430 7.472 -8.133 1.00 31.41 H new ATOM 0 HA CYS A 50 8.615 4.657 -8.559 1.00 54.33 H new ATOM 0 HB2 CYS A 50 9.728 5.376 -6.282 1.00 23.50 H new ATOM 0 HB3 CYS A 50 8.192 6.161 -5.975 1.00 23.50 H new ATOM 713 N CYS A 51 6.152 5.235 -8.538 1.00 23.11 N ATOM 714 CA CYS A 51 4.774 5.620 -8.818 1.00 64.23 C ATOM 715 C CYS A 51 3.904 5.473 -7.573 1.00 64.53 C ATOM 716 O CYS A 51 4.156 4.637 -6.705 1.00 22.12 O ATOM 717 CB CYS A 51 4.206 4.768 -9.955 1.00 30.43 C ATOM 718 SG CYS A 51 5.421 4.341 -11.243 1.00 71.14 S ATOM 0 H CYS A 51 6.317 4.228 -8.540 1.00 23.11 H new ATOM 0 HA CYS A 51 4.770 6.667 -9.120 1.00 64.23 H new ATOM 0 HB2 CYS A 51 3.798 3.848 -9.536 1.00 30.43 H new ATOM 0 HB3 CYS A 51 3.376 5.304 -10.416 1.00 30.43 H new ATOM 723 N PRO A 52 2.855 6.303 -7.483 1.00 42.21 N ATOM 724 CA PRO A 52 1.926 6.285 -6.349 1.00 70.34 C ATOM 725 C PRO A 52 1.059 5.030 -6.331 1.00 2.33 C ATOM 726 O PRO A 52 0.338 4.778 -5.366 1.00 50.22 O ATOM 727 CB PRO A 52 1.063 7.528 -6.578 1.00 73.11 C ATOM 728 CG PRO A 52 1.125 7.767 -8.047 1.00 40.42 C ATOM 729 CD PRO A 52 2.495 7.324 -8.481 1.00 52.12 C ATOM 0 HA PRO A 52 2.449 6.283 -5.393 1.00 70.34 H new ATOM 0 HB2 PRO A 52 0.038 7.365 -6.246 1.00 73.11 H new ATOM 0 HB3 PRO A 52 1.445 8.383 -6.021 1.00 73.11 H new ATOM 0 HG2 PRO A 52 0.350 7.204 -8.567 1.00 40.42 H new ATOM 0 HG3 PRO A 52 0.964 8.820 -8.278 1.00 40.42 H new ATOM 0 HD2 PRO A 52 2.483 6.913 -9.490 1.00 52.12 H new ATOM 0 HD3 PRO A 52 3.204 8.152 -8.482 1.00 52.12 H new ATOM 737 N GLU A 53 1.136 4.248 -7.403 1.00 33.55 N ATOM 738 CA GLU A 53 0.357 3.019 -7.508 1.00 11.33 C ATOM 739 C GLU A 53 1.124 1.837 -6.923 1.00 31.14 C ATOM 740 O GLU A 53 2.236 1.993 -6.417 1.00 53.25 O ATOM 741 CB GLU A 53 0.002 2.738 -8.969 1.00 74.02 C ATOM 742 CG GLU A 53 -1.188 3.538 -9.471 1.00 53.42 C ATOM 743 CD GLU A 53 -0.978 4.079 -10.872 1.00 52.41 C ATOM 744 OE1 GLU A 53 -0.040 4.882 -11.063 1.00 74.10 O ATOM 745 OE2 GLU A 53 -1.751 3.701 -11.777 1.00 0.10 O ATOM 0 H GLU A 53 1.729 4.443 -8.210 1.00 33.55 H new ATOM 0 HA GLU A 53 -0.562 3.152 -6.937 1.00 11.33 H new ATOM 0 HB2 GLU A 53 0.867 2.960 -9.593 1.00 74.02 H new ATOM 0 HB3 GLU A 53 -0.211 1.675 -9.084 1.00 74.02 H new ATOM 0 HG2 GLU A 53 -2.077 2.907 -9.459 1.00 53.42 H new ATOM 0 HG3 GLU A 53 -1.377 4.368 -8.790 1.00 53.42 H new ATOM 752 N ASP A 54 0.522 0.655 -6.994 1.00 53.04 N ATOM 753 CA ASP A 54 1.147 -0.555 -6.473 1.00 1.32 C ATOM 754 C ASP A 54 1.804 -1.353 -7.594 1.00 24.40 C ATOM 755 O ASP A 54 1.270 -1.447 -8.700 1.00 32.22 O ATOM 756 CB ASP A 54 0.112 -1.420 -5.753 1.00 13.14 C ATOM 757 CG ASP A 54 -0.938 -0.592 -5.038 1.00 33.10 C ATOM 758 OD1 ASP A 54 -0.596 0.055 -4.026 1.00 62.34 O ATOM 759 OD2 ASP A 54 -2.103 -0.592 -5.490 1.00 2.32 O ATOM 0 H ASP A 54 -0.399 0.509 -7.408 1.00 53.04 H new ATOM 0 HA ASP A 54 1.918 -0.259 -5.762 1.00 1.32 H new ATOM 0 HB2 ASP A 54 -0.376 -2.075 -6.475 1.00 13.14 H new ATOM 0 HB3 ASP A 54 0.618 -2.062 -5.032 1.00 13.14 H new ATOM 764 N LEU A 55 2.967 -1.927 -7.302 1.00 53.52 N ATOM 765 CA LEU A 55 3.698 -2.717 -8.286 1.00 44.11 C ATOM 766 C LEU A 55 4.042 -1.877 -9.512 1.00 61.43 C ATOM 767 O LEU A 55 3.584 -2.160 -10.620 1.00 23.31 O ATOM 768 CB LEU A 55 2.875 -3.937 -8.703 1.00 43.15 C ATOM 769 CG LEU A 55 2.486 -4.900 -7.581 1.00 43.13 C ATOM 770 CD1 LEU A 55 1.689 -6.071 -8.135 1.00 41.31 C ATOM 771 CD2 LEU A 55 3.725 -5.395 -6.849 1.00 44.45 C ATOM 0 H LEU A 55 3.423 -1.860 -6.392 1.00 53.52 H new ATOM 0 HA LEU A 55 4.628 -3.054 -7.827 1.00 44.11 H new ATOM 0 HB2 LEU A 55 1.963 -3.587 -9.187 1.00 43.15 H new ATOM 0 HB3 LEU A 55 3.440 -4.492 -9.452 1.00 43.15 H new ATOM 0 HG LEU A 55 1.858 -4.364 -6.870 1.00 43.13 H new ATOM 0 HD11 LEU A 55 1.421 -6.746 -7.322 1.00 41.31 H new ATOM 0 HD12 LEU A 55 0.782 -5.700 -8.613 1.00 41.31 H new ATOM 0 HD13 LEU A 55 2.292 -6.607 -8.868 1.00 41.31 H new ATOM 0 HD21 LEU A 55 3.429 -6.079 -6.054 1.00 44.45 H new ATOM 0 HD22 LEU A 55 4.379 -5.914 -7.550 1.00 44.45 H new ATOM 0 HD23 LEU A 55 4.256 -4.546 -6.418 1.00 44.45 H new ATOM 783 N CYS A 56 4.853 -0.845 -9.308 1.00 12.45 N ATOM 784 CA CYS A 56 5.260 0.036 -10.396 1.00 23.23 C ATOM 785 C CYS A 56 6.660 -0.320 -10.888 1.00 61.12 C ATOM 786 O CYS A 56 7.045 0.031 -12.003 1.00 32.13 O ATOM 787 CB CYS A 56 5.224 1.496 -9.939 1.00 61.43 C ATOM 788 SG CYS A 56 5.711 2.689 -11.226 1.00 43.33 S ATOM 0 H CYS A 56 5.242 -0.598 -8.398 1.00 12.45 H new ATOM 0 HA CYS A 56 4.559 -0.097 -11.220 1.00 23.23 H new ATOM 0 HB2 CYS A 56 4.216 1.735 -9.600 1.00 61.43 H new ATOM 0 HB3 CYS A 56 5.885 1.613 -9.081 1.00 61.43 H new ATOM 793 N ASN A 57 7.417 -1.020 -10.049 1.00 13.43 N ATOM 794 CA ASN A 57 8.774 -1.423 -10.398 1.00 71.10 C ATOM 795 C ASN A 57 8.842 -2.922 -10.672 1.00 61.50 C ATOM 796 O ASN A 57 9.097 -3.346 -11.799 1.00 74.21 O ATOM 797 CB ASN A 57 9.743 -1.054 -9.273 1.00 64.23 C ATOM 798 CG ASN A 57 9.623 -1.981 -8.079 1.00 13.21 C ATOM 799 OD1 ASN A 57 8.565 -2.074 -7.456 1.00 73.53 O ATOM 800 ND2 ASN A 57 10.710 -2.671 -7.753 1.00 55.14 N ATOM 0 H ASN A 57 7.113 -1.320 -9.123 1.00 13.43 H new ATOM 0 HA ASN A 57 9.062 -0.892 -11.305 1.00 71.10 H new ATOM 0 HB2 ASN A 57 10.764 -1.085 -9.652 1.00 64.23 H new ATOM 0 HB3 ASN A 57 9.552 -0.029 -8.954 1.00 64.23 H new ATOM 0 HD21 ASN A 57 10.689 -3.310 -6.958 1.00 55.14 H new ATOM 0 HD22 ASN A 57 11.565 -2.562 -8.298 1.00 55.14 H new TER 807 ASN A 57