USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 0 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 Single : A 1 TYR N :NH3+ -109:sc= 0.0457 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 7 LYS NZ :NH3+ -111:sc= 0.0578 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.921 X(o=-0.92,f=-0.43!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0.947 USER MOD Single : A 28 ASN : amide:sc= 0.285 K(o=0.29,f=-4.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 20:sc= 0.787 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -17:sc= 0.846 USER MOD Single : A 48 TYR OH : rot 150:sc= 1.64 USER MOD Single : A 49 TYR OH : rot -87:sc= 1.26 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -82:sc= 1.27 USER MOD Single : A 52 TYR OH : rot 168:sc= 1.79 USER MOD Single : A 57 ASN : amide:sc= 0.814 K(o=0.81,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -0.988 12.241 2.950 1.00 0.00 N ATOM 2 CA TYR A 1 -0.469 11.106 2.134 1.00 0.00 C ATOM 3 C TYR A 1 -1.414 9.850 2.209 1.00 0.00 C ATOM 4 O TYR A 1 -2.358 9.813 3.007 1.00 0.00 O ATOM 5 CB TYR A 1 1.025 10.857 2.508 1.00 0.00 C ATOM 6 CG TYR A 1 1.339 10.222 3.880 1.00 0.00 C ATOM 7 CD1 TYR A 1 1.393 8.830 4.015 1.00 0.00 C ATOM 8 CD2 TYR A 1 1.663 11.031 4.974 1.00 0.00 C ATOM 9 CE1 TYR A 1 1.769 8.257 5.228 1.00 0.00 C ATOM 10 CE2 TYR A 1 2.034 10.453 6.187 1.00 0.00 C ATOM 11 CZ TYR A 1 2.094 9.068 6.310 1.00 0.00 C ATOM 12 OH TYR A 1 2.487 8.509 7.496 1.00 0.00 O ATOM 0 H1 TYR A 1 -1.330 12.994 2.319 1.00 0.00 H new ATOM 0 H2 TYR A 1 -1.771 11.909 3.549 1.00 0.00 H new ATOM 0 H3 TYR A 1 -0.226 12.613 3.552 1.00 0.00 H new ATOM 0 HA TYR A 1 -0.480 11.356 1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 1 1.458 10.218 1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 1 1.545 11.814 2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 1 1.142 8.198 3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 1 1.626 12.106 4.879 1.00 0.00 H new ATOM 0 HE1 TYR A 1 1.808 7.182 5.328 1.00 0.00 H new ATOM 0 HE2 TYR A 1 2.275 11.081 7.032 1.00 0.00 H new ATOM 0 HH TYR A 1 2.677 9.218 8.145 1.00 0.00 H new ATOM 13 N ASN A 2 -1.181 8.836 1.352 1.00 0.00 N ATOM 14 CA ASN A 2 -2.126 7.681 1.225 1.00 0.00 C ATOM 15 C ASN A 2 -2.069 6.704 2.451 1.00 0.00 C ATOM 16 O ASN A 2 -0.993 6.334 2.932 1.00 0.00 O ATOM 17 CB ASN A 2 -1.829 6.913 -0.098 1.00 0.00 C ATOM 18 CG ASN A 2 -2.158 7.710 -1.374 1.00 0.00 C ATOM 19 OD1 ASN A 2 -1.496 8.683 -1.715 1.00 0.00 O ATOM 20 ND2 ASN A 2 -3.176 7.328 -2.108 1.00 0.00 N ATOM 0 H ASN A 2 -0.365 8.782 0.742 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.137 8.087 1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.775 6.637 -0.117 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.402 5.986 -0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.413 7.840 -2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.731 6.519 -1.829 1.00 0.00 H new ATOM 21 N ARG A 3 -3.252 6.261 2.925 1.00 0.00 N ATOM 22 CA ARG A 3 -3.351 5.341 4.111 1.00 0.00 C ATOM 23 C ARG A 3 -2.640 3.943 3.959 1.00 0.00 C ATOM 24 O ARG A 3 -2.071 3.440 4.932 1.00 0.00 O ATOM 25 CB ARG A 3 -4.854 5.166 4.486 1.00 0.00 C ATOM 26 CG ARG A 3 -5.510 6.440 5.094 1.00 0.00 C ATOM 27 CD ARG A 3 -7.006 6.275 5.441 1.00 0.00 C ATOM 28 NE ARG A 3 -7.848 6.245 4.206 1.00 0.00 N ATOM 29 CZ ARG A 3 -9.179 6.089 4.211 1.00 0.00 C ATOM 30 NH1 ARG A 3 -9.881 5.988 5.314 1.00 0.00 N ATOM 31 NH2 ARG A 3 -9.804 6.035 3.070 1.00 0.00 N ATOM 0 H ARG A 3 -4.153 6.514 2.519 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.794 5.824 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.409 4.875 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.946 4.347 5.199 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.967 6.719 5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.400 7.264 4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.151 5.354 6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.326 7.096 6.082 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.381 6.350 3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.415 6.027 6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.893 5.870 5.265 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.281 6.111 2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.817 5.917 3.048 1.00 0.00 H new ATOM 32 N LEU A 4 -2.628 3.343 2.748 1.00 0.00 N ATOM 33 CA LEU A 4 -1.859 2.079 2.478 1.00 0.00 C ATOM 34 C LEU A 4 -0.277 2.196 2.601 1.00 0.00 C ATOM 35 O LEU A 4 0.413 1.180 2.622 1.00 0.00 O ATOM 36 CB LEU A 4 -2.326 1.570 1.063 1.00 0.00 C ATOM 37 CG LEU A 4 -2.491 0.037 0.828 1.00 0.00 C ATOM 38 CD1 LEU A 4 -1.175 -0.754 0.882 1.00 0.00 C ATOM 39 CD2 LEU A 4 -3.533 -0.602 1.766 1.00 0.00 C ATOM 0 H LEU A 4 -3.135 3.701 1.938 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.087 1.357 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.284 2.042 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.612 1.941 0.328 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.859 -0.032 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.378 -1.811 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.496 -0.384 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.715 -0.629 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.605 -1.669 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.228 -0.455 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.504 -0.134 1.604 1.00 0.00 H new ATOM 40 N CYS A 5 0.307 3.413 2.702 1.00 0.00 N ATOM 41 CA CYS A 5 1.775 3.592 2.946 1.00 0.00 C ATOM 42 C CYS A 5 2.395 2.982 4.254 1.00 0.00 C ATOM 43 O CYS A 5 3.588 2.662 4.261 1.00 0.00 O ATOM 44 CB CYS A 5 2.014 5.112 2.948 1.00 0.00 C ATOM 45 SG CYS A 5 1.832 5.761 1.290 1.00 0.00 S ATOM 0 H CYS A 5 -0.207 4.290 2.620 1.00 0.00 H new ATOM 0 HA CYS A 5 2.278 3.029 2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.306 5.599 3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 5 3.013 5.331 3.326 1.00 0.00 H new ATOM 46 N ILE A 6 1.622 2.868 5.351 1.00 0.00 N ATOM 47 CA ILE A 6 2.151 2.350 6.653 1.00 0.00 C ATOM 48 C ILE A 6 1.999 0.785 6.671 1.00 0.00 C ATOM 49 O ILE A 6 0.944 0.242 6.325 1.00 0.00 O ATOM 50 CB ILE A 6 1.411 3.074 7.848 1.00 0.00 C ATOM 51 CG1 ILE A 6 1.648 4.625 7.842 1.00 0.00 C ATOM 52 CG2 ILE A 6 1.845 2.508 9.230 1.00 0.00 C ATOM 53 CD1 ILE A 6 0.647 5.422 8.702 1.00 0.00 C ATOM 0 H ILE A 6 0.635 3.122 5.375 1.00 0.00 H new ATOM 0 HA ILE A 6 3.212 2.571 6.771 1.00 0.00 H new ATOM 0 HB ILE A 6 0.350 2.877 7.696 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.658 4.828 8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.594 4.985 6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.312 3.034 10.022 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.609 1.445 9.278 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.918 2.648 9.360 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.882 6.485 8.642 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.365 5.253 8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.715 5.093 9.739 1.00 0.00 H new ATOM 54 N LYS A 7 3.065 0.063 7.090 1.00 0.00 N ATOM 55 CA LYS A 7 3.015 -1.428 7.186 1.00 0.00 C ATOM 56 C LYS A 7 2.035 -1.893 8.336 1.00 0.00 C ATOM 57 O LYS A 7 2.270 -1.533 9.497 1.00 0.00 O ATOM 58 CB LYS A 7 4.460 -1.958 7.409 1.00 0.00 C ATOM 59 CG LYS A 7 4.582 -3.502 7.316 1.00 0.00 C ATOM 60 CD LYS A 7 6.043 -3.973 7.525 1.00 0.00 C ATOM 61 CE LYS A 7 6.250 -5.493 7.346 1.00 0.00 C ATOM 62 NZ LYS A 7 5.659 -6.244 8.490 1.00 0.00 N ATOM 0 H LYS A 7 3.958 0.473 7.364 1.00 0.00 H new ATOM 0 HA LYS A 7 2.621 -1.845 6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.121 -1.505 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.809 -1.634 8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.940 -3.964 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.227 -3.837 6.342 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.687 -3.445 6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.364 -3.689 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.790 -5.820 6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.315 -5.714 7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.421 -6.666 9.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.104 -5.594 9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.040 -6.997 8.128 1.00 0.00 H new ATOM 63 N PRO A 8 0.937 -2.669 8.071 1.00 0.00 N ATOM 64 CA PRO A 8 -0.107 -2.920 9.100 1.00 0.00 C ATOM 65 C PRO A 8 0.233 -4.071 10.103 1.00 0.00 C ATOM 66 O PRO A 8 1.089 -4.933 9.865 1.00 0.00 O ATOM 67 CB PRO A 8 -1.328 -3.246 8.207 1.00 0.00 C ATOM 68 CG PRO A 8 -0.739 -3.892 6.950 1.00 0.00 C ATOM 69 CD PRO A 8 0.553 -3.110 6.712 1.00 0.00 C ATOM 0 HA PRO A 8 -0.248 -2.079 9.779 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.017 -3.923 8.712 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.889 -2.344 7.961 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.543 -4.954 7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.419 -3.810 6.102 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.323 -3.734 6.258 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.394 -2.264 6.044 1.00 0.00 H new ATOM 70 N ARG A 9 -0.526 -4.100 11.216 1.00 0.00 N ATOM 71 CA ARG A 9 -0.514 -5.262 12.160 1.00 0.00 C ATOM 72 C ARG A 9 -0.931 -6.637 11.508 1.00 0.00 C ATOM 73 O ARG A 9 -0.313 -7.664 11.813 1.00 0.00 O ATOM 74 CB ARG A 9 -1.399 -4.857 13.381 1.00 0.00 C ATOM 75 CG ARG A 9 -1.586 -5.895 14.528 1.00 0.00 C ATOM 76 CD ARG A 9 -0.308 -6.320 15.289 1.00 0.00 C ATOM 77 NE ARG A 9 0.433 -7.359 14.518 1.00 0.00 N ATOM 78 CZ ARG A 9 1.498 -8.023 14.970 1.00 0.00 C ATOM 79 NH1 ARG A 9 2.002 -7.837 16.168 1.00 0.00 N ATOM 80 NH2 ARG A 9 2.058 -8.895 14.184 1.00 0.00 N ATOM 0 H ARG A 9 -1.154 -3.345 11.492 1.00 0.00 H new ATOM 0 HA ARG A 9 0.509 -5.462 12.479 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.974 -3.953 13.816 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.388 -4.595 13.004 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.292 -5.483 15.249 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.046 -6.789 14.107 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.332 -5.453 15.451 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.574 -6.708 16.272 1.00 0.00 H new ATOM 0 HE ARG A 9 0.102 -7.578 13.578 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.577 -7.159 16.800 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.818 -8.371 16.466 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.681 -9.056 13.250 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.874 -9.418 14.502 1.00 0.00 H new ATOM 81 N ASP A 10 -1.932 -6.655 10.602 1.00 0.00 N ATOM 82 CA ASP A 10 -2.322 -7.900 9.865 1.00 0.00 C ATOM 83 C ASP A 10 -1.460 -8.146 8.561 1.00 0.00 C ATOM 84 O ASP A 10 -1.984 -8.405 7.470 1.00 0.00 O ATOM 85 CB ASP A 10 -3.850 -7.816 9.572 1.00 0.00 C ATOM 86 CG ASP A 10 -4.726 -7.842 10.829 1.00 0.00 C ATOM 87 OD1 ASP A 10 -5.007 -9.110 11.236 1.00 0.00 O ATOM 88 OD2 ASP A 10 -5.112 -6.833 11.409 1.00 0.00 O ATOM 0 H ASP A 10 -2.487 -5.835 10.357 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.112 -8.771 10.486 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.054 -6.900 9.018 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.133 -8.648 8.927 1.00 0.00 H new ATOM 89 N TRP A 11 -0.117 -8.125 8.707 1.00 0.00 N ATOM 90 CA TRP A 11 0.813 -8.511 7.610 1.00 0.00 C ATOM 91 C TRP A 11 1.405 -9.926 7.935 1.00 0.00 C ATOM 92 O TRP A 11 2.448 -10.053 8.587 1.00 0.00 O ATOM 93 CB TRP A 11 1.868 -7.378 7.440 1.00 0.00 C ATOM 94 CG TRP A 11 2.739 -7.550 6.181 1.00 0.00 C ATOM 95 CD1 TRP A 11 3.946 -8.279 6.112 1.00 0.00 C ATOM 96 CD2 TRP A 11 2.481 -7.132 4.890 1.00 0.00 C ATOM 97 NE1 TRP A 11 4.454 -8.309 4.791 1.00 0.00 N ATOM 98 CE2 TRP A 11 3.498 -7.623 4.056 1.00 0.00 C ATOM 99 CE3 TRP A 11 1.401 -6.389 4.352 1.00 0.00 C ATOM 100 CZ2 TRP A 11 3.441 -7.423 2.657 1.00 0.00 C ATOM 101 CZ3 TRP A 11 1.376 -6.162 2.972 1.00 0.00 C ATOM 102 CH2 TRP A 11 2.378 -6.681 2.133 1.00 0.00 C ATOM 0 H TRP A 11 0.351 -7.846 9.569 1.00 0.00 H new ATOM 0 HA TRP A 11 0.316 -8.608 6.645 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.356 -6.417 7.392 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.511 -7.353 8.320 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.421 -8.753 6.958 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.319 -8.735 4.458 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.618 -6.008 4.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.201 -7.834 2.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.574 -5.579 2.544 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.326 -6.504 1.069 1.00 0.00 H new ATOM 103 N ILE A 12 0.706 -10.985 7.479 1.00 0.00 N ATOM 104 CA ILE A 12 1.160 -12.401 7.681 1.00 0.00 C ATOM 105 C ILE A 12 1.588 -12.895 6.264 1.00 0.00 C ATOM 106 O ILE A 12 0.745 -13.116 5.389 1.00 0.00 O ATOM 107 CB ILE A 12 0.033 -13.281 8.347 1.00 0.00 C ATOM 108 CG1 ILE A 12 -0.331 -12.772 9.781 1.00 0.00 C ATOM 109 CG2 ILE A 12 0.449 -14.780 8.415 1.00 0.00 C ATOM 110 CD1 ILE A 12 -1.568 -13.442 10.412 1.00 0.00 C ATOM 0 H ILE A 12 -0.173 -10.901 6.969 1.00 0.00 H new ATOM 0 HA ILE A 12 1.994 -12.479 8.378 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.849 -13.187 7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.525 -12.933 10.436 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.501 -11.696 9.737 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.350 -15.359 8.879 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.629 -15.154 7.407 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.359 -14.879 9.006 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.741 -13.025 11.404 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.440 -13.260 9.784 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.398 -14.515 10.494 1.00 0.00 H new ATOM 111 N ASP A 13 2.910 -12.983 6.029 1.00 0.00 N ATOM 112 CA ASP A 13 3.445 -13.042 4.639 1.00 0.00 C ATOM 113 C ASP A 13 4.405 -14.270 4.474 1.00 0.00 C ATOM 114 O ASP A 13 3.956 -15.325 4.021 1.00 0.00 O ATOM 115 CB ASP A 13 4.024 -11.620 4.372 1.00 0.00 C ATOM 116 CG ASP A 13 4.209 -11.252 2.910 1.00 0.00 C ATOM 117 OD1 ASP A 13 3.280 -10.947 2.170 1.00 0.00 O ATOM 118 OD2 ASP A 13 5.520 -11.227 2.545 1.00 0.00 O ATOM 0 H ASP A 13 3.621 -13.015 6.760 1.00 0.00 H new ATOM 0 HA ASP A 13 2.706 -13.241 3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.363 -10.886 4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.988 -11.540 4.873 1.00 0.00 H new ATOM 119 N GLU A 14 5.700 -14.149 4.861 1.00 0.00 N ATOM 120 CA GLU A 14 6.670 -15.301 4.874 1.00 0.00 C ATOM 121 C GLU A 14 6.811 -16.084 3.512 1.00 0.00 C ATOM 122 O GLU A 14 6.495 -17.274 3.416 1.00 0.00 O ATOM 123 CB GLU A 14 6.368 -16.206 6.116 1.00 0.00 C ATOM 124 CG GLU A 14 7.475 -17.234 6.484 1.00 0.00 C ATOM 125 CD GLU A 14 8.786 -16.606 6.966 1.00 0.00 C ATOM 126 OE1 GLU A 14 9.613 -16.097 6.216 1.00 0.00 O ATOM 127 OE2 GLU A 14 8.926 -16.676 8.318 1.00 0.00 O ATOM 0 H GLU A 14 6.109 -13.267 5.171 1.00 0.00 H new ATOM 0 HA GLU A 14 7.672 -14.886 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.194 -15.562 6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.441 -16.748 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.095 -17.896 7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.682 -17.854 5.612 1.00 0.00 H new ATOM 128 N CYS A 15 7.293 -15.389 2.464 1.00 0.00 N ATOM 129 CA CYS A 15 7.421 -15.998 1.099 1.00 0.00 C ATOM 130 C CYS A 15 8.654 -15.508 0.263 1.00 0.00 C ATOM 131 O CYS A 15 9.178 -16.285 -0.541 1.00 0.00 O ATOM 132 CB CYS A 15 6.127 -15.731 0.303 1.00 0.00 C ATOM 133 SG CYS A 15 4.677 -16.356 1.177 1.00 0.00 S ATOM 0 H CYS A 15 7.600 -14.418 2.520 1.00 0.00 H new ATOM 0 HA CYS A 15 7.586 -17.063 1.265 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.017 -14.660 0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.196 -16.205 -0.676 1.00 0.00 H new ATOM 134 N ASP A 16 9.076 -14.222 0.401 1.00 0.00 N ATOM 135 CA ASP A 16 10.186 -13.623 -0.412 1.00 0.00 C ATOM 136 C ASP A 16 9.981 -13.762 -1.975 1.00 0.00 C ATOM 137 O ASP A 16 8.860 -13.596 -2.467 1.00 0.00 O ATOM 138 CB ASP A 16 11.586 -13.952 0.220 1.00 0.00 C ATOM 139 CG ASP A 16 12.054 -15.408 0.133 1.00 0.00 C ATOM 140 OD1 ASP A 16 12.732 -15.659 -1.021 1.00 0.00 O ATOM 141 OD2 ASP A 16 11.836 -16.247 1.000 1.00 0.00 O ATOM 0 H ASP A 16 8.665 -13.571 1.071 1.00 0.00 H new ATOM 0 HA ASP A 16 10.152 -12.536 -0.344 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.334 -13.324 -0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.561 -13.665 1.271 1.00 0.00 H new ATOM 142 N SER A 17 11.039 -14.074 -2.743 1.00 0.00 N ATOM 143 CA SER A 17 10.880 -14.521 -4.163 1.00 0.00 C ATOM 144 C SER A 17 10.666 -16.077 -4.359 1.00 0.00 C ATOM 145 O SER A 17 10.767 -16.570 -5.486 1.00 0.00 O ATOM 146 CB SER A 17 12.125 -14.018 -4.937 1.00 0.00 C ATOM 147 OG SER A 17 13.315 -14.703 -4.532 1.00 0.00 O ATOM 0 H SER A 17 12.006 -14.030 -2.422 1.00 0.00 H new ATOM 0 HA SER A 17 9.956 -14.092 -4.551 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.970 -14.160 -6.007 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.248 -12.948 -4.772 1.00 0.00 H new ATOM 0 HG SER A 17 14.079 -14.361 -5.042 1.00 0.00 H new ATOM 148 N ASN A 18 10.377 -16.849 -3.285 1.00 0.00 N ATOM 149 CA ASN A 18 10.160 -18.325 -3.383 1.00 0.00 C ATOM 150 C ASN A 18 8.658 -18.656 -3.672 1.00 0.00 C ATOM 151 O ASN A 18 8.358 -19.207 -4.734 1.00 0.00 O ATOM 152 CB ASN A 18 10.697 -19.027 -2.097 1.00 0.00 C ATOM 153 CG ASN A 18 12.229 -19.042 -1.970 1.00 0.00 C ATOM 154 OD1 ASN A 18 12.853 -18.109 -1.474 1.00 0.00 O ATOM 155 ND2 ASN A 18 12.875 -20.099 -2.404 1.00 0.00 N ATOM 0 H ASN A 18 10.287 -16.481 -2.338 1.00 0.00 H new ATOM 0 HA ASN A 18 10.725 -18.716 -4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.278 -18.527 -1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.334 -20.055 -2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.891 -20.142 -2.328 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.361 -20.877 -2.817 1.00 0.00 H new ATOM 156 N GLU A 19 7.715 -18.302 -2.764 1.00 0.00 N ATOM 157 CA GLU A 19 6.251 -18.398 -3.080 1.00 0.00 C ATOM 158 C GLU A 19 5.649 -16.975 -3.382 1.00 0.00 C ATOM 159 O GLU A 19 4.730 -16.496 -2.706 1.00 0.00 O ATOM 160 CB GLU A 19 5.561 -19.156 -1.903 1.00 0.00 C ATOM 161 CG GLU A 19 4.097 -19.604 -2.174 1.00 0.00 C ATOM 162 CD GLU A 19 3.956 -20.644 -3.289 1.00 0.00 C ATOM 163 OE1 GLU A 19 4.158 -21.844 -3.132 1.00 0.00 O ATOM 164 OE2 GLU A 19 3.585 -20.083 -4.473 1.00 0.00 O ATOM 0 H GLU A 19 7.924 -17.955 -1.828 1.00 0.00 H new ATOM 0 HA GLU A 19 6.073 -18.967 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.155 -20.037 -1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.571 -18.514 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.678 -20.014 -1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.502 -18.728 -2.432 1.00 0.00 H new ATOM 165 N GLY A 20 6.188 -16.299 -4.413 1.00 0.00 N ATOM 166 CA GLY A 20 5.842 -14.881 -4.670 1.00 0.00 C ATOM 167 C GLY A 20 6.667 -14.285 -5.831 1.00 0.00 C ATOM 168 O GLY A 20 7.892 -14.420 -5.880 1.00 0.00 O ATOM 0 H GLY A 20 6.854 -16.699 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.780 -14.804 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.014 -14.297 -3.766 1.00 0.00 H new ATOM 169 N GLY A 21 5.980 -13.586 -6.744 1.00 0.00 N ATOM 170 CA GLY A 21 6.667 -12.805 -7.819 1.00 0.00 C ATOM 171 C GLY A 21 6.151 -11.351 -7.949 1.00 0.00 C ATOM 172 O GLY A 21 5.827 -10.899 -9.049 1.00 0.00 O ATOM 0 H GLY A 21 4.962 -13.536 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.738 -12.786 -7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.533 -13.317 -8.772 1.00 0.00 H new ATOM 173 N GLU A 22 6.081 -10.625 -6.820 1.00 0.00 N ATOM 174 CA GLU A 22 5.519 -9.245 -6.787 1.00 0.00 C ATOM 175 C GLU A 22 6.030 -8.514 -5.499 1.00 0.00 C ATOM 176 O GLU A 22 5.867 -9.006 -4.375 1.00 0.00 O ATOM 177 CB GLU A 22 3.957 -9.225 -6.915 1.00 0.00 C ATOM 178 CG GLU A 22 3.136 -10.102 -5.921 1.00 0.00 C ATOM 179 CD GLU A 22 2.913 -11.552 -6.358 1.00 0.00 C ATOM 180 OE1 GLU A 22 2.046 -11.645 -7.405 1.00 0.00 O ATOM 181 OE2 GLU A 22 3.444 -12.520 -5.822 1.00 0.00 O ATOM 0 H GLU A 22 6.404 -10.963 -5.913 1.00 0.00 H new ATOM 0 HA GLU A 22 5.876 -8.701 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.625 -8.193 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.700 -9.536 -7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.646 -10.105 -4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.164 -9.633 -5.766 1.00 0.00 H new ATOM 182 N ARG A 23 6.674 -7.342 -5.674 1.00 0.00 N ATOM 183 CA ARG A 23 7.311 -6.613 -4.538 1.00 0.00 C ATOM 184 C ARG A 23 6.637 -5.222 -4.312 1.00 0.00 C ATOM 185 O ARG A 23 6.563 -4.391 -5.222 1.00 0.00 O ATOM 186 CB ARG A 23 8.834 -6.504 -4.829 1.00 0.00 C ATOM 187 CG ARG A 23 9.666 -6.068 -3.593 1.00 0.00 C ATOM 188 CD ARG A 23 11.188 -6.111 -3.823 1.00 0.00 C ATOM 189 NE ARG A 23 11.635 -5.012 -4.728 1.00 0.00 N ATOM 190 CZ ARG A 23 12.914 -4.786 -5.050 1.00 0.00 C ATOM 191 NH1 ARG A 23 13.900 -5.542 -4.631 1.00 0.00 N ATOM 192 NH2 ARG A 23 13.190 -3.771 -5.812 1.00 0.00 N ATOM 0 H ARG A 23 6.771 -6.878 -6.577 1.00 0.00 H new ATOM 0 HA ARG A 23 7.170 -7.161 -3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.199 -7.468 -5.182 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.992 -5.788 -5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.379 -5.055 -3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.416 -6.715 -2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.704 -6.029 -2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.465 -7.073 -4.253 1.00 0.00 H new ATOM 0 HE ARG A 23 10.924 -4.397 -5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.708 -6.345 -4.031 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.859 -5.328 -4.905 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.440 -3.168 -6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.157 -3.577 -6.072 1.00 0.00 H new ATOM 193 N ALA A 24 6.169 -4.982 -3.073 1.00 0.00 N ATOM 194 CA ALA A 24 5.589 -3.672 -2.689 1.00 0.00 C ATOM 195 C ALA A 24 6.647 -2.687 -2.104 1.00 0.00 C ATOM 196 O ALA A 24 7.726 -3.074 -1.635 1.00 0.00 O ATOM 197 CB ALA A 24 4.507 -3.957 -1.635 1.00 0.00 C ATOM 0 H ALA A 24 6.179 -5.671 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 24 5.184 -3.188 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.050 -3.019 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.744 -4.607 -2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.959 -4.447 -0.773 1.00 0.00 H new ATOM 198 N TYR A 25 6.288 -1.393 -2.119 1.00 0.00 N ATOM 199 CA TYR A 25 7.183 -0.315 -1.611 1.00 0.00 C ATOM 200 C TYR A 25 6.382 0.523 -0.564 1.00 0.00 C ATOM 201 O TYR A 25 5.553 1.364 -0.917 1.00 0.00 O ATOM 202 CB TYR A 25 7.704 0.541 -2.808 1.00 0.00 C ATOM 203 CG TYR A 25 8.565 -0.238 -3.824 1.00 0.00 C ATOM 204 CD1 TYR A 25 9.902 -0.538 -3.550 1.00 0.00 C ATOM 205 CD2 TYR A 25 7.987 -0.698 -5.014 1.00 0.00 C ATOM 206 CE1 TYR A 25 10.653 -1.288 -4.457 1.00 0.00 C ATOM 207 CE2 TYR A 25 8.736 -1.460 -5.905 1.00 0.00 C ATOM 208 CZ TYR A 25 10.063 -1.753 -5.630 1.00 0.00 C ATOM 209 OH TYR A 25 10.781 -2.512 -6.515 1.00 0.00 O ATOM 0 H TYR A 25 5.392 -1.059 -2.473 1.00 0.00 H new ATOM 0 HA TYR A 25 8.064 -0.724 -1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.849 0.972 -3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.290 1.372 -2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.356 -0.189 -2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.958 -0.461 -5.240 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.690 -1.507 -4.249 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.282 -1.825 -6.815 1.00 0.00 H new ATOM 0 HH TYR A 25 10.213 -2.751 -7.277 1.00 0.00 H new ATOM 210 N PHE A 26 6.622 0.261 0.733 1.00 0.00 N ATOM 211 CA PHE A 26 5.925 0.991 1.844 1.00 0.00 C ATOM 212 C PHE A 26 6.872 2.081 2.456 1.00 0.00 C ATOM 213 O PHE A 26 8.094 2.021 2.300 1.00 0.00 O ATOM 214 CB PHE A 26 5.490 -0.048 2.923 1.00 0.00 C ATOM 215 CG PHE A 26 4.223 -0.876 2.597 1.00 0.00 C ATOM 216 CD1 PHE A 26 4.242 -1.894 1.634 1.00 0.00 C ATOM 217 CD2 PHE A 26 3.061 -0.673 3.349 1.00 0.00 C ATOM 218 CE1 PHE A 26 3.116 -2.695 1.438 1.00 0.00 C ATOM 219 CE2 PHE A 26 1.940 -1.473 3.147 1.00 0.00 C ATOM 220 CZ PHE A 26 1.968 -2.482 2.190 1.00 0.00 C ATOM 0 H PHE A 26 7.287 -0.444 1.052 1.00 0.00 H new ATOM 0 HA PHE A 26 5.042 1.503 1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.318 -0.738 3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.323 0.481 3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.130 -2.059 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.033 0.110 4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.137 -3.483 0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.048 -1.310 3.734 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.097 -3.100 2.032 1.00 0.00 H new ATOM 221 N ARG A 27 6.317 3.085 3.171 1.00 0.00 N ATOM 222 CA ARG A 27 7.146 4.201 3.730 1.00 0.00 C ATOM 223 C ARG A 27 8.196 3.723 4.800 1.00 0.00 C ATOM 224 O ARG A 27 7.879 2.941 5.703 1.00 0.00 O ATOM 225 CB ARG A 27 6.184 5.284 4.305 1.00 0.00 C ATOM 226 CG ARG A 27 6.914 6.569 4.786 1.00 0.00 C ATOM 227 CD ARG A 27 5.964 7.721 5.163 1.00 0.00 C ATOM 228 NE ARG A 27 6.784 8.822 5.754 1.00 0.00 N ATOM 229 CZ ARG A 27 6.491 10.122 5.672 1.00 0.00 C ATOM 230 NH1 ARG A 27 5.427 10.590 5.069 1.00 0.00 N ATOM 231 NH2 ARG A 27 7.316 10.964 6.218 1.00 0.00 N ATOM 0 H ARG A 27 5.321 3.155 3.377 1.00 0.00 H new ATOM 0 HA ARG A 27 7.746 4.623 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.455 5.554 3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.627 4.858 5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.532 6.323 5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.587 6.909 3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.427 8.076 4.283 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.215 7.379 5.877 1.00 0.00 H new ATOM 0 HE ARG A 27 7.631 8.560 6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.767 9.949 4.628 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.258 11.595 5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.154 10.624 6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.125 11.965 6.176 1.00 0.00 H new ATOM 232 N ASN A 28 9.444 4.232 4.697 1.00 0.00 N ATOM 233 CA ASN A 28 10.492 3.959 5.732 1.00 0.00 C ATOM 234 C ASN A 28 10.361 4.877 7.002 1.00 0.00 C ATOM 235 O ASN A 28 10.216 4.369 8.117 1.00 0.00 O ATOM 236 CB ASN A 28 11.911 3.918 5.079 1.00 0.00 C ATOM 237 CG ASN A 28 12.476 5.200 4.429 1.00 0.00 C ATOM 238 OD1 ASN A 28 11.914 6.291 4.474 1.00 0.00 O ATOM 239 ND2 ASN A 28 13.626 5.088 3.809 1.00 0.00 N ATOM 0 H ASN A 28 9.756 4.824 3.927 1.00 0.00 H new ATOM 0 HA ASN A 28 10.323 2.962 6.138 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.617 3.600 5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.899 3.140 4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.049 5.904 3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.098 4.184 3.768 1.00 0.00 H new ATOM 240 N GLY A 29 10.394 6.210 6.831 1.00 0.00 N ATOM 241 CA GLY A 29 10.270 7.149 7.973 1.00 0.00 C ATOM 242 C GLY A 29 10.332 8.616 7.511 1.00 0.00 C ATOM 243 O GLY A 29 9.296 9.275 7.371 1.00 0.00 O ATOM 0 H GLY A 29 10.504 6.664 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.328 6.970 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.069 6.959 8.689 1.00 0.00 H new ATOM 244 N LYS A 30 11.555 9.123 7.267 1.00 0.00 N ATOM 245 CA LYS A 30 11.757 10.548 6.865 1.00 0.00 C ATOM 246 C LYS A 30 11.412 10.810 5.352 1.00 0.00 C ATOM 247 O LYS A 30 10.415 11.482 5.071 1.00 0.00 O ATOM 248 CB LYS A 30 13.204 10.958 7.291 1.00 0.00 C ATOM 249 CG LYS A 30 13.574 12.457 7.091 1.00 0.00 C ATOM 250 CD LYS A 30 12.833 13.466 8.004 1.00 0.00 C ATOM 251 CE LYS A 30 13.273 13.402 9.482 1.00 0.00 C ATOM 252 NZ LYS A 30 12.563 14.454 10.262 1.00 0.00 N ATOM 0 H LYS A 30 12.417 8.582 7.337 1.00 0.00 H new ATOM 0 HA LYS A 30 11.051 11.197 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.336 10.709 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.913 10.351 6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.646 12.571 7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.377 12.724 6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.001 14.475 7.627 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.761 13.278 7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.052 12.418 9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.351 13.545 9.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.861 14.409 11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.795 15.390 9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.537 14.298 10.201 1.00 0.00 H new ATOM 253 N GLY A 31 12.226 10.306 4.399 1.00 0.00 N ATOM 254 CA GLY A 31 12.020 10.608 2.950 1.00 0.00 C ATOM 255 C GLY A 31 12.405 9.447 2.014 1.00 0.00 C ATOM 256 O GLY A 31 13.394 9.531 1.284 1.00 0.00 O ATOM 0 H GLY A 31 13.021 9.697 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.973 10.863 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.607 11.487 2.684 1.00 0.00 H new ATOM 257 N GLY A 32 11.596 8.381 2.017 1.00 0.00 N ATOM 258 CA GLY A 32 11.829 7.222 1.120 1.00 0.00 C ATOM 259 C GLY A 32 10.861 6.044 1.374 1.00 0.00 C ATOM 260 O GLY A 32 9.939 6.100 2.201 1.00 0.00 O ATOM 0 H GLY A 32 10.779 8.288 2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.729 7.548 0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.854 6.874 1.247 1.00 0.00 H new ATOM 261 N CYS A 33 11.107 4.951 0.641 1.00 0.00 N ATOM 262 CA CYS A 33 10.332 3.694 0.805 1.00 0.00 C ATOM 263 C CYS A 33 11.271 2.458 1.020 1.00 0.00 C ATOM 264 O CYS A 33 12.390 2.382 0.494 1.00 0.00 O ATOM 265 CB CYS A 33 9.435 3.510 -0.438 1.00 0.00 C ATOM 266 SG CYS A 33 8.252 4.864 -0.566 1.00 0.00 S ATOM 0 H CYS A 33 11.834 4.902 -0.073 1.00 0.00 H new ATOM 0 HA CYS A 33 9.712 3.765 1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.051 3.471 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.904 2.560 -0.374 1.00 0.00 H new ATOM 267 N ASP A 34 10.777 1.475 1.792 1.00 0.00 N ATOM 268 CA ASP A 34 11.466 0.162 1.970 1.00 0.00 C ATOM 269 C ASP A 34 10.732 -0.968 1.163 1.00 0.00 C ATOM 270 O ASP A 34 9.497 -1.039 1.105 1.00 0.00 O ATOM 271 CB ASP A 34 11.642 -0.160 3.484 1.00 0.00 C ATOM 272 CG ASP A 34 10.368 -0.309 4.323 1.00 0.00 C ATOM 273 OD1 ASP A 34 9.790 0.892 4.599 1.00 0.00 O ATOM 274 OD2 ASP A 34 9.936 -1.385 4.716 1.00 0.00 O ATOM 0 H ASP A 34 9.901 1.555 2.309 1.00 0.00 H new ATOM 0 HA ASP A 34 12.471 0.220 1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.212 -1.086 3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.248 0.629 3.929 1.00 0.00 H new ATOM 275 N SER A 35 11.530 -1.836 0.516 1.00 0.00 N ATOM 276 CA SER A 35 11.002 -2.833 -0.454 1.00 0.00 C ATOM 277 C SER A 35 10.795 -4.243 0.182 1.00 0.00 C ATOM 278 O SER A 35 11.764 -4.859 0.644 1.00 0.00 O ATOM 279 CB SER A 35 12.028 -2.915 -1.611 1.00 0.00 C ATOM 280 OG SER A 35 13.254 -3.522 -1.188 1.00 0.00 O ATOM 0 H SER A 35 12.542 -1.873 0.642 1.00 0.00 H new ATOM 0 HA SER A 35 10.019 -2.515 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.603 -3.489 -2.435 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.230 -1.913 -1.991 1.00 0.00 H new ATOM 0 HG SER A 35 13.098 -4.040 -0.371 1.00 0.00 H new ATOM 281 N PHE A 36 9.558 -4.774 0.156 1.00 0.00 N ATOM 282 CA PHE A 36 9.284 -6.150 0.686 1.00 0.00 C ATOM 283 C PHE A 36 8.172 -6.901 -0.128 1.00 0.00 C ATOM 284 O PHE A 36 7.347 -6.311 -0.833 1.00 0.00 O ATOM 285 CB PHE A 36 9.058 -6.146 2.234 1.00 0.00 C ATOM 286 CG PHE A 36 7.965 -5.217 2.797 1.00 0.00 C ATOM 287 CD1 PHE A 36 6.616 -5.583 2.747 1.00 0.00 C ATOM 288 CD2 PHE A 36 8.329 -4.018 3.420 1.00 0.00 C ATOM 289 CE1 PHE A 36 5.647 -4.760 3.317 1.00 0.00 C ATOM 290 CE2 PHE A 36 7.355 -3.204 3.992 1.00 0.00 C ATOM 291 CZ PHE A 36 6.019 -3.578 3.944 1.00 0.00 C ATOM 0 H PHE A 36 8.739 -4.293 -0.216 1.00 0.00 H new ATOM 0 HA PHE A 36 10.185 -6.743 0.528 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.822 -7.165 2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.002 -5.880 2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.325 -6.505 2.266 1.00 0.00 H new ATOM 0 HD2 PHE A 36 9.367 -3.724 3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.605 -5.042 3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.639 -2.280 4.474 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.267 -2.948 4.395 1.00 0.00 H new ATOM 292 N TRP A 37 8.215 -8.244 -0.067 1.00 0.00 N ATOM 293 CA TRP A 37 7.500 -9.107 -1.055 1.00 0.00 C ATOM 294 C TRP A 37 6.027 -9.418 -0.642 1.00 0.00 C ATOM 295 O TRP A 37 5.747 -9.797 0.501 1.00 0.00 O ATOM 296 CB TRP A 37 8.315 -10.417 -1.235 1.00 0.00 C ATOM 297 CG TRP A 37 9.668 -10.213 -1.946 1.00 0.00 C ATOM 298 CD1 TRP A 37 10.911 -9.945 -1.324 1.00 0.00 C ATOM 299 CD2 TRP A 37 9.929 -10.251 -3.297 1.00 0.00 C ATOM 300 NE1 TRP A 37 11.946 -9.811 -2.281 1.00 0.00 N ATOM 301 CE2 TRP A 37 11.298 -10.009 -3.492 1.00 0.00 C ATOM 302 CE3 TRP A 37 9.068 -10.490 -4.395 1.00 0.00 C ATOM 303 CZ2 TRP A 37 11.841 -9.988 -4.795 1.00 0.00 C ATOM 304 CZ3 TRP A 37 9.617 -10.468 -5.681 1.00 0.00 C ATOM 305 CH2 TRP A 37 10.986 -10.215 -5.880 1.00 0.00 C ATOM 0 H TRP A 37 8.729 -8.762 0.645 1.00 0.00 H new ATOM 0 HA TRP A 37 7.430 -8.565 -1.998 1.00 0.00 H new ATOM 0 HB2 TRP A 37 8.493 -10.861 -0.256 1.00 0.00 H new ATOM 0 HB3 TRP A 37 7.719 -11.130 -1.805 1.00 0.00 H new ATOM 0 HD1 TRP A 37 11.052 -9.854 -0.257 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.934 -9.615 -2.119 1.00 0.00 H new ATOM 0 HE3 TRP A 37 8.016 -10.684 -4.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.893 -9.801 -4.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 8.980 -10.648 -6.534 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.383 -10.196 -6.884 1.00 0.00 H new ATOM 306 N ILE A 38 5.092 -9.284 -1.603 1.00 0.00 N ATOM 307 CA ILE A 38 3.642 -9.545 -1.341 1.00 0.00 C ATOM 308 C ILE A 38 3.365 -11.062 -1.594 1.00 0.00 C ATOM 309 O ILE A 38 3.461 -11.548 -2.727 1.00 0.00 O ATOM 310 CB ILE A 38 2.683 -8.685 -2.253 1.00 0.00 C ATOM 311 CG1 ILE A 38 3.081 -7.192 -2.436 1.00 0.00 C ATOM 312 CG2 ILE A 38 1.221 -8.765 -1.731 1.00 0.00 C ATOM 313 CD1 ILE A 38 2.489 -6.578 -3.721 1.00 0.00 C ATOM 0 H ILE A 38 5.300 -9.000 -2.560 1.00 0.00 H new ATOM 0 HA ILE A 38 3.434 -9.261 -0.309 1.00 0.00 H new ATOM 0 HB ILE A 38 2.779 -9.136 -3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.740 -6.620 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.167 -7.109 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.573 -8.166 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.886 -9.802 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.177 -8.382 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.797 -5.535 -3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.850 -7.131 -4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.401 -6.633 -3.683 1.00 0.00 H new ATOM 314 N CYS A 39 2.980 -11.791 -0.542 1.00 0.00 N ATOM 315 CA CYS A 39 2.530 -13.194 -0.697 1.00 0.00 C ATOM 316 C CYS A 39 0.979 -13.243 -0.969 1.00 0.00 C ATOM 317 O CYS A 39 0.242 -12.523 -0.281 1.00 0.00 O ATOM 318 CB CYS A 39 2.917 -13.942 0.591 1.00 0.00 C ATOM 319 SG CYS A 39 3.056 -15.695 0.233 1.00 0.00 S ATOM 0 H CYS A 39 2.968 -11.446 0.418 1.00 0.00 H new ATOM 0 HA CYS A 39 3.007 -13.672 -1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.862 -13.561 0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.166 -13.774 1.363 1.00 0.00 H new ATOM 320 N PRO A 40 0.431 -14.070 -1.922 1.00 0.00 N ATOM 321 CA PRO A 40 -1.045 -14.168 -2.169 1.00 0.00 C ATOM 322 C PRO A 40 -2.023 -14.250 -0.942 1.00 0.00 C ATOM 323 O PRO A 40 -3.089 -13.632 -0.968 1.00 0.00 O ATOM 324 CB PRO A 40 -1.120 -15.399 -3.092 1.00 0.00 C ATOM 325 CG PRO A 40 0.197 -15.368 -3.874 1.00 0.00 C ATOM 326 CD PRO A 40 1.236 -14.883 -2.859 1.00 0.00 C ATOM 0 HA PRO A 40 -1.418 -13.231 -2.582 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.220 -16.320 -2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.980 -15.344 -3.759 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.451 -16.354 -4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.134 -14.696 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.725 -15.715 -2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.020 -14.293 -3.334 1.00 0.00 H new ATOM 327 N GLU A 41 -1.622 -14.945 0.143 1.00 0.00 N ATOM 328 CA GLU A 41 -2.343 -14.895 1.457 1.00 0.00 C ATOM 329 C GLU A 41 -2.651 -13.459 2.046 1.00 0.00 C ATOM 330 O GLU A 41 -3.753 -13.242 2.554 1.00 0.00 O ATOM 331 CB GLU A 41 -1.575 -15.809 2.466 1.00 0.00 C ATOM 332 CG GLU A 41 -0.183 -15.274 2.911 1.00 0.00 C ATOM 333 CD GLU A 41 0.647 -16.254 3.735 1.00 0.00 C ATOM 334 OE1 GLU A 41 0.459 -16.482 4.926 1.00 0.00 O ATOM 335 OE2 GLU A 41 1.642 -16.823 2.997 1.00 0.00 O ATOM 0 H GLU A 41 -0.802 -15.552 0.147 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.350 -15.270 1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.195 -15.947 3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.442 -16.792 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.385 -14.997 2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.329 -14.364 3.493 1.00 0.00 H new ATOM 336 N ASP A 42 -1.707 -12.489 1.962 1.00 0.00 N ATOM 337 CA ASP A 42 -1.985 -11.073 2.379 1.00 0.00 C ATOM 338 C ASP A 42 -2.355 -10.100 1.182 1.00 0.00 C ATOM 339 O ASP A 42 -2.249 -8.877 1.322 1.00 0.00 O ATOM 340 CB ASP A 42 -0.744 -10.575 3.184 1.00 0.00 C ATOM 341 CG ASP A 42 -1.074 -9.432 4.154 1.00 0.00 C ATOM 342 OD1 ASP A 42 -1.075 -8.246 3.843 1.00 0.00 O ATOM 343 OD2 ASP A 42 -1.380 -9.893 5.402 1.00 0.00 O ATOM 0 H ASP A 42 -0.760 -12.647 1.617 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.882 -11.061 2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.324 -11.410 3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.024 -10.241 2.486 1.00 0.00 H new ATOM 344 N HIS A 43 -2.815 -10.618 0.020 1.00 0.00 N ATOM 345 CA HIS A 43 -3.193 -9.762 -1.137 1.00 0.00 C ATOM 346 C HIS A 43 -4.749 -9.593 -1.193 1.00 0.00 C ATOM 347 O HIS A 43 -5.469 -10.494 -1.638 1.00 0.00 O ATOM 348 CB HIS A 43 -2.591 -10.412 -2.415 1.00 0.00 C ATOM 349 CG HIS A 43 -2.843 -9.596 -3.683 1.00 0.00 C ATOM 350 ND1 HIS A 43 -3.951 -9.786 -4.494 1.00 0.00 N ATOM 351 CD2 HIS A 43 -2.152 -8.427 -4.074 1.00 0.00 C ATOM 352 CE1 HIS A 43 -3.854 -8.689 -5.307 1.00 0.00 C ATOM 353 NE2 HIS A 43 -2.798 -7.830 -5.152 1.00 0.00 N ATOM 0 H HIS A 43 -2.934 -11.618 -0.145 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.791 -8.753 -1.046 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.517 -10.537 -2.279 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.015 -11.408 -2.542 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.254 -8.052 -3.605 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.602 -8.503 -6.063 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.554 -6.991 -5.678 1.00 0.00 H new ATOM 354 N THR A 44 -5.275 -8.436 -0.745 1.00 0.00 N ATOM 355 CA THR A 44 -6.751 -8.176 -0.778 1.00 0.00 C ATOM 356 C THR A 44 -7.010 -6.632 -0.708 1.00 0.00 C ATOM 357 O THR A 44 -6.468 -5.933 0.156 1.00 0.00 O ATOM 358 CB THR A 44 -7.486 -8.934 0.384 1.00 0.00 C ATOM 359 OG1 THR A 44 -7.208 -10.331 0.323 1.00 0.00 O ATOM 360 CG2 THR A 44 -9.020 -8.813 0.342 1.00 0.00 C ATOM 0 H THR A 44 -4.721 -7.671 -0.360 1.00 0.00 H new ATOM 0 HA THR A 44 -7.158 -8.558 -1.714 1.00 0.00 H new ATOM 0 HB THR A 44 -7.112 -8.464 1.294 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.861 -10.557 -0.565 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.451 -9.364 1.178 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.304 -7.763 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.392 -9.226 -0.596 1.00 0.00 H new ATOM 361 N GLY A 45 -7.881 -6.114 -1.600 1.00 0.00 N ATOM 362 CA GLY A 45 -8.367 -4.708 -1.494 1.00 0.00 C ATOM 363 C GLY A 45 -7.908 -3.800 -2.650 1.00 0.00 C ATOM 364 O GLY A 45 -8.459 -3.862 -3.751 1.00 0.00 O ATOM 0 H GLY A 45 -8.261 -6.633 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.456 -4.712 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.019 -4.284 -0.552 1.00 0.00 H new ATOM 365 N ALA A 46 -6.936 -2.915 -2.368 1.00 0.00 N ATOM 366 CA ALA A 46 -6.536 -1.844 -3.327 1.00 0.00 C ATOM 367 C ALA A 46 -5.072 -2.051 -3.872 1.00 0.00 C ATOM 368 O ALA A 46 -4.589 -3.182 -4.000 1.00 0.00 O ATOM 369 CB ALA A 46 -6.791 -0.514 -2.567 1.00 0.00 C ATOM 0 H ALA A 46 -6.410 -2.911 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.118 -1.853 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.521 0.327 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.846 -0.444 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.186 -0.491 -1.661 1.00 0.00 H new ATOM 370 N ASP A 47 -4.380 -0.954 -4.247 1.00 0.00 N ATOM 371 CA ASP A 47 -3.006 -1.035 -4.819 1.00 0.00 C ATOM 372 C ASP A 47 -1.897 -1.269 -3.732 1.00 0.00 C ATOM 373 O ASP A 47 -1.947 -0.721 -2.627 1.00 0.00 O ATOM 374 CB ASP A 47 -2.738 0.237 -5.680 1.00 0.00 C ATOM 375 CG ASP A 47 -2.561 1.550 -4.904 1.00 0.00 C ATOM 376 OD1 ASP A 47 -3.752 2.093 -4.526 1.00 0.00 O ATOM 377 OD2 ASP A 47 -1.467 2.045 -4.652 1.00 0.00 O ATOM 0 H ASP A 47 -4.742 -0.004 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.953 -1.916 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.841 0.066 -6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.566 0.360 -6.379 1.00 0.00 H new ATOM 378 N TYR A 48 -0.875 -2.058 -4.098 1.00 0.00 N ATOM 379 CA TYR A 48 0.301 -2.307 -3.198 1.00 0.00 C ATOM 380 C TYR A 48 1.631 -1.580 -3.678 1.00 0.00 C ATOM 381 O TYR A 48 2.729 -1.973 -3.278 1.00 0.00 O ATOM 382 CB TYR A 48 0.472 -3.859 -3.091 1.00 0.00 C ATOM 383 CG TYR A 48 -0.515 -4.609 -2.154 1.00 0.00 C ATOM 384 CD1 TYR A 48 -1.878 -4.709 -2.466 1.00 0.00 C ATOM 385 CD2 TYR A 48 -0.034 -5.247 -1.003 1.00 0.00 C ATOM 386 CE1 TYR A 48 -2.747 -5.393 -1.621 1.00 0.00 C ATOM 387 CE2 TYR A 48 -0.904 -5.957 -0.174 1.00 0.00 C ATOM 388 CZ TYR A 48 -2.261 -6.013 -0.476 1.00 0.00 C ATOM 389 OH TYR A 48 -3.126 -6.690 0.343 1.00 0.00 O ATOM 0 H TYR A 48 -0.823 -2.537 -4.997 1.00 0.00 H new ATOM 0 HA TYR A 48 0.109 -1.873 -2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.378 -4.281 -4.092 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.487 -4.067 -2.752 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.256 -4.252 -3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.016 -5.189 -0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.800 -5.442 -1.855 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.524 -6.463 0.701 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.651 -7.426 0.783 1.00 0.00 H new ATOM 390 N TYR A 49 1.528 -0.496 -4.488 1.00 0.00 N ATOM 391 CA TYR A 49 2.701 0.321 -4.956 1.00 0.00 C ATOM 392 C TYR A 49 3.632 -0.456 -5.951 1.00 0.00 C ATOM 393 O TYR A 49 4.512 -1.220 -5.542 1.00 0.00 O ATOM 394 CB TYR A 49 3.502 1.014 -3.805 1.00 0.00 C ATOM 395 CG TYR A 49 2.639 1.839 -2.829 1.00 0.00 C ATOM 396 CD1 TYR A 49 2.040 3.035 -3.239 1.00 0.00 C ATOM 397 CD2 TYR A 49 2.395 1.354 -1.540 1.00 0.00 C ATOM 398 CE1 TYR A 49 1.193 3.725 -2.374 1.00 0.00 C ATOM 399 CE2 TYR A 49 1.561 2.054 -0.675 1.00 0.00 C ATOM 400 CZ TYR A 49 0.959 3.238 -1.092 1.00 0.00 C ATOM 401 OH TYR A 49 0.140 3.933 -0.242 1.00 0.00 O ATOM 0 H TYR A 49 0.634 -0.155 -4.841 1.00 0.00 H new ATOM 0 HA TYR A 49 2.254 1.138 -5.522 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.036 0.250 -3.240 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.254 1.668 -4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.234 3.424 -4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.856 0.433 -1.215 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.718 4.639 -2.699 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.380 1.679 0.321 1.00 0.00 H new ATOM 0 HH TYR A 49 0.665 4.602 0.244 1.00 0.00 H new ATOM 402 N SER A 50 3.425 -0.244 -7.267 1.00 0.00 N ATOM 403 CA SER A 50 4.199 -0.966 -8.325 1.00 0.00 C ATOM 404 C SER A 50 5.678 -0.481 -8.509 1.00 0.00 C ATOM 405 O SER A 50 6.596 -1.295 -8.402 1.00 0.00 O ATOM 406 CB SER A 50 3.393 -0.923 -9.650 1.00 0.00 C ATOM 407 OG SER A 50 3.207 0.420 -10.113 1.00 0.00 O ATOM 0 H SER A 50 2.736 0.414 -7.631 1.00 0.00 H new ATOM 0 HA SER A 50 4.316 -1.997 -7.992 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.914 -1.502 -10.412 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.422 -1.394 -9.501 1.00 0.00 H new ATOM 0 HG SER A 50 2.697 0.410 -10.950 1.00 0.00 H new ATOM 408 N SER A 51 5.912 0.819 -8.787 1.00 0.00 N ATOM 409 CA SER A 51 7.297 1.379 -8.842 1.00 0.00 C ATOM 410 C SER A 51 7.688 2.123 -7.519 1.00 0.00 C ATOM 411 O SER A 51 6.839 2.536 -6.717 1.00 0.00 O ATOM 412 CB SER A 51 7.430 2.303 -10.085 1.00 0.00 C ATOM 413 OG SER A 51 6.744 3.546 -9.915 1.00 0.00 O ATOM 0 H SER A 51 5.177 1.500 -8.976 1.00 0.00 H new ATOM 0 HA SER A 51 8.001 0.552 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.485 2.497 -10.279 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.034 1.789 -10.961 1.00 0.00 H new ATOM 0 HG SER A 51 5.794 3.426 -10.121 1.00 0.00 H new ATOM 414 N TYR A 52 9.004 2.356 -7.331 1.00 0.00 N ATOM 415 CA TYR A 52 9.499 3.224 -6.214 1.00 0.00 C ATOM 416 C TYR A 52 8.985 4.716 -6.279 1.00 0.00 C ATOM 417 O TYR A 52 8.624 5.289 -5.249 1.00 0.00 O ATOM 418 CB TYR A 52 11.055 3.141 -6.192 1.00 0.00 C ATOM 419 CG TYR A 52 11.671 3.441 -4.814 1.00 0.00 C ATOM 420 CD1 TYR A 52 11.909 4.756 -4.395 1.00 0.00 C ATOM 421 CD2 TYR A 52 12.009 2.379 -3.971 1.00 0.00 C ATOM 422 CE1 TYR A 52 12.479 4.998 -3.145 1.00 0.00 C ATOM 423 CE2 TYR A 52 12.572 2.624 -2.723 1.00 0.00 C ATOM 424 CZ TYR A 52 12.811 3.933 -2.313 1.00 0.00 C ATOM 425 OH TYR A 52 13.346 4.170 -1.076 1.00 0.00 O ATOM 0 H TYR A 52 9.740 1.968 -7.921 1.00 0.00 H new ATOM 0 HA TYR A 52 9.084 2.846 -5.279 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.361 2.144 -6.508 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.458 3.844 -6.921 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.651 5.583 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.832 1.363 -4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.663 6.012 -2.823 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.824 1.799 -2.072 1.00 0.00 H new ATOM 0 HH TYR A 52 13.341 3.341 -0.553 1.00 0.00 H new ATOM 426 N ARG A 53 8.921 5.319 -7.489 1.00 0.00 N ATOM 427 CA ARG A 53 8.258 6.644 -7.693 1.00 0.00 C ATOM 428 C ARG A 53 6.714 6.679 -7.373 1.00 0.00 C ATOM 429 O ARG A 53 6.240 7.685 -6.833 1.00 0.00 O ATOM 430 CB ARG A 53 8.615 7.107 -9.138 1.00 0.00 C ATOM 431 CG ARG A 53 8.051 8.483 -9.603 1.00 0.00 C ATOM 432 CD ARG A 53 8.250 9.682 -8.650 1.00 0.00 C ATOM 433 NE ARG A 53 9.681 10.032 -8.431 1.00 0.00 N ATOM 434 CZ ARG A 53 10.084 10.986 -7.579 1.00 0.00 C ATOM 435 NH1 ARG A 53 9.249 11.718 -6.872 1.00 0.00 N ATOM 436 NH2 ARG A 53 11.360 11.205 -7.444 1.00 0.00 N ATOM 0 H ARG A 53 9.316 4.918 -8.339 1.00 0.00 H new ATOM 0 HA ARG A 53 8.641 7.352 -6.958 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.701 7.140 -9.224 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.264 6.345 -9.834 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.510 8.731 -10.560 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.982 8.367 -9.783 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.729 10.549 -9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.788 9.454 -7.689 1.00 0.00 H new ATOM 0 HE ARG A 53 10.390 9.520 -8.956 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.243 11.572 -6.959 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.608 12.431 -6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.031 10.656 -7.981 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.689 11.926 -6.801 1.00 0.00 H new ATOM 437 N ASP A 54 5.941 5.598 -7.642 1.00 0.00 N ATOM 438 CA ASP A 54 4.535 5.483 -7.120 1.00 0.00 C ATOM 439 C ASP A 54 4.438 5.603 -5.557 1.00 0.00 C ATOM 440 O ASP A 54 3.649 6.408 -5.055 1.00 0.00 O ATOM 441 CB ASP A 54 3.866 4.160 -7.595 1.00 0.00 C ATOM 442 CG ASP A 54 3.610 4.076 -9.096 1.00 0.00 C ATOM 443 OD1 ASP A 54 2.611 4.909 -9.497 1.00 0.00 O ATOM 444 OD2 ASP A 54 4.235 3.336 -9.850 1.00 0.00 O ATOM 0 H ASP A 54 6.248 4.804 -8.204 1.00 0.00 H new ATOM 0 HA ASP A 54 3.995 6.332 -7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.500 3.323 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.917 4.041 -7.072 1.00 0.00 H new ATOM 445 N CYS A 55 5.273 4.853 -4.803 1.00 0.00 N ATOM 446 CA CYS A 55 5.412 5.070 -3.337 1.00 0.00 C ATOM 447 C CYS A 55 5.967 6.475 -2.932 1.00 0.00 C ATOM 448 O CYS A 55 5.365 7.122 -2.080 1.00 0.00 O ATOM 449 CB CYS A 55 6.271 3.930 -2.770 1.00 0.00 C ATOM 450 SG CYS A 55 6.449 4.112 -0.984 1.00 0.00 S ATOM 0 H CYS A 55 5.855 4.102 -5.174 1.00 0.00 H new ATOM 0 HA CYS A 55 4.412 5.057 -2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.811 2.969 -3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.253 3.935 -3.243 1.00 0.00 H new ATOM 451 N PHE A 56 7.072 6.974 -3.528 1.00 0.00 N ATOM 452 CA PHE A 56 7.606 8.331 -3.179 1.00 0.00 C ATOM 453 C PHE A 56 6.581 9.516 -3.383 1.00 0.00 C ATOM 454 O PHE A 56 6.456 10.377 -2.506 1.00 0.00 O ATOM 455 CB PHE A 56 8.947 8.554 -3.941 1.00 0.00 C ATOM 456 CG PHE A 56 9.886 9.557 -3.243 1.00 0.00 C ATOM 457 CD1 PHE A 56 9.675 10.937 -3.354 1.00 0.00 C ATOM 458 CD2 PHE A 56 10.950 9.086 -2.465 1.00 0.00 C ATOM 459 CE1 PHE A 56 10.510 11.831 -2.687 1.00 0.00 C ATOM 460 CE2 PHE A 56 11.788 9.983 -1.807 1.00 0.00 C ATOM 461 CZ PHE A 56 11.565 11.353 -1.913 1.00 0.00 C ATOM 0 H PHE A 56 7.610 6.479 -4.239 1.00 0.00 H new ATOM 0 HA PHE A 56 7.788 8.346 -2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.461 7.598 -4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.730 8.911 -4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.862 11.310 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.122 8.024 -2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.339 12.894 -2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.612 9.615 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.211 12.046 -1.394 1.00 0.00 H new ATOM 462 N ASN A 57 5.825 9.540 -4.501 1.00 0.00 N ATOM 463 CA ASN A 57 4.710 10.524 -4.681 1.00 0.00 C ATOM 464 C ASN A 57 3.490 10.292 -3.710 1.00 0.00 C ATOM 465 O ASN A 57 3.032 11.242 -3.072 1.00 0.00 O ATOM 466 CB ASN A 57 4.249 10.523 -6.169 1.00 0.00 C ATOM 467 CG ASN A 57 5.246 11.110 -7.186 1.00 0.00 C ATOM 468 OD1 ASN A 57 6.380 11.484 -6.890 1.00 0.00 O ATOM 469 ND2 ASN A 57 4.832 11.204 -8.427 1.00 0.00 N ATOM 0 H ASN A 57 5.955 8.904 -5.288 1.00 0.00 H new ATOM 0 HA ASN A 57 5.106 11.504 -4.414 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.027 9.496 -6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.316 11.083 -6.240 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.450 11.586 -9.143 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.892 10.895 -8.676 1.00 0.00 H new ATOM 470 N ALA A 58 2.968 9.050 -3.600 1.00 0.00 N ATOM 471 CA ALA A 58 1.814 8.749 -2.697 1.00 0.00 C ATOM 472 C ALA A 58 2.105 8.780 -1.150 1.00 0.00 C ATOM 473 O ALA A 58 1.227 9.152 -0.366 1.00 0.00 O ATOM 474 CB ALA A 58 1.290 7.369 -3.130 1.00 0.00 C ATOM 0 H ALA A 58 3.317 8.242 -4.116 1.00 0.00 H new ATOM 0 HA ALA A 58 1.084 9.550 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.442 7.090 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.975 7.410 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.082 6.628 -3.019 1.00 0.00 H new ATOM 475 N CYS A 59 3.315 8.375 -0.722 1.00 0.00 N ATOM 476 CA CYS A 59 3.719 8.369 0.710 1.00 0.00 C ATOM 477 C CYS A 59 4.507 9.640 1.171 1.00 0.00 C ATOM 478 O CYS A 59 4.268 10.135 2.276 1.00 0.00 O ATOM 479 CB CYS A 59 4.560 7.096 0.935 1.00 0.00 C ATOM 480 SG CYS A 59 3.621 5.646 0.428 1.00 0.00 S ATOM 0 H CYS A 59 4.044 8.042 -1.352 1.00 0.00 H new ATOM 0 HA CYS A 59 2.814 8.380 1.318 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.488 7.157 0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.836 7.013 1.986 1.00 0.00 H new ATOM 481 N ILE A 60 5.462 10.135 0.351 1.00 0.00 N ATOM 482 CA ILE A 60 6.291 11.326 0.716 1.00 0.00 C ATOM 483 C ILE A 60 5.706 12.587 0.011 1.00 0.00 C ATOM 484 O ILE A 60 5.303 13.566 0.636 1.00 0.00 O ATOM 485 CB ILE A 60 7.822 11.101 0.405 1.00 0.00 C ATOM 486 CG1 ILE A 60 8.412 9.752 0.926 1.00 0.00 C ATOM 487 CG2 ILE A 60 8.697 12.277 0.913 1.00 0.00 C ATOM 488 CD1 ILE A 60 8.262 9.494 2.439 1.00 0.00 C ATOM 489 OXT ILE A 60 5.700 12.495 -1.363 1.00 0.00 O ATOM 0 H ILE A 60 5.683 9.738 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 60 6.242 11.482 1.794 1.00 0.00 H new ATOM 0 HB ILE A 60 7.858 11.054 -0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.931 8.935 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.472 9.719 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.743 12.080 0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.383 13.201 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.580 12.378 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.706 8.531 2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.769 10.283 2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.205 9.486 2.704 1.00 0.00 H new