USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 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+ -139:sc= 1.28 (180deg=0.436) USER MOD Single : A 1 TYR OH : rot 180:sc= 0.347 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= 1.45 (180deg=1.32) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 1.13 K(o=1.1,f=-8.3!) USER MOD Single : A 30 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.11) USER MOD Single : A 35 SER OG : rot 33:sc= 0.895 USER MOD Single : A 43 HIS : no HD1:sc= 0.747 K(o=0.75,f=-2.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 61:sc= 0.581 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -43:sc= 1.29 USER MOD Single : A 52 TYR OH : rot 180:sc= 0.0134 USER MOD Single : A 57 ASN : amide:sc= 0.654 K(o=0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -0.570 9.201 1.269 1.00 0.00 N ATOM 2 CA TYR A 1 0.116 8.959 2.570 1.00 0.00 C ATOM 3 C TYR A 1 -0.578 7.861 3.457 1.00 0.00 C ATOM 4 O TYR A 1 0.076 6.881 3.814 1.00 0.00 O ATOM 5 CB TYR A 1 0.314 10.324 3.298 1.00 0.00 C ATOM 6 CG TYR A 1 1.267 10.247 4.509 1.00 0.00 C ATOM 7 CD1 TYR A 1 2.644 10.409 4.327 1.00 0.00 C ATOM 8 CD2 TYR A 1 0.769 10.020 5.797 1.00 0.00 C ATOM 9 CE1 TYR A 1 3.511 10.335 5.414 1.00 0.00 C ATOM 10 CE2 TYR A 1 1.637 9.950 6.884 1.00 0.00 C ATOM 11 CZ TYR A 1 3.008 10.105 6.691 1.00 0.00 C ATOM 12 OH TYR A 1 3.860 10.050 7.760 1.00 0.00 O ATOM 0 H1 TYR A 1 0.140 9.316 0.518 1.00 0.00 H new ATOM 0 H2 TYR A 1 -1.184 8.392 1.044 1.00 0.00 H new ATOM 0 H3 TYR A 1 -1.146 10.064 1.336 1.00 0.00 H new ATOM 0 HA TYR A 1 1.097 8.529 2.370 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.703 11.052 2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -0.656 10.692 3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 1 3.037 10.593 3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -0.293 9.899 5.949 1.00 0.00 H new ATOM 0 HE1 TYR A 1 4.574 10.456 5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 1 1.247 9.776 7.876 1.00 0.00 H new ATOM 0 HH TYR A 1 3.348 9.883 8.579 1.00 0.00 H new ATOM 13 N ASN A 2 -1.857 8.035 3.857 1.00 0.00 N ATOM 14 CA ASN A 2 -2.403 7.285 5.035 1.00 0.00 C ATOM 15 C ASN A 2 -2.823 5.802 4.745 1.00 0.00 C ATOM 16 O ASN A 2 -2.237 4.883 5.321 1.00 0.00 O ATOM 17 CB ASN A 2 -3.559 8.110 5.685 1.00 0.00 C ATOM 18 CG ASN A 2 -3.133 9.484 6.231 1.00 0.00 C ATOM 19 OD1 ASN A 2 -2.884 10.420 5.478 1.00 0.00 O ATOM 20 ND2 ASN A 2 -3.026 9.635 7.529 1.00 0.00 N ATOM 0 H ASN A 2 -2.521 8.664 3.406 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.581 7.179 5.743 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.346 8.255 4.945 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.991 7.528 6.499 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.735 10.533 7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.234 8.855 8.152 1.00 0.00 H new ATOM 21 N ARG A 3 -3.857 5.562 3.909 1.00 0.00 N ATOM 22 CA ARG A 3 -4.506 4.207 3.839 1.00 0.00 C ATOM 23 C ARG A 3 -3.759 3.064 3.056 1.00 0.00 C ATOM 24 O ARG A 3 -4.082 1.894 3.271 1.00 0.00 O ATOM 25 CB ARG A 3 -5.993 4.371 3.399 1.00 0.00 C ATOM 26 CG ARG A 3 -6.248 4.828 1.936 1.00 0.00 C ATOM 27 CD ARG A 3 -7.757 4.986 1.657 1.00 0.00 C ATOM 28 NE ARG A 3 -7.976 5.424 0.248 1.00 0.00 N ATOM 29 CZ ARG A 3 -9.177 5.741 -0.258 1.00 0.00 C ATOM 30 NH1 ARG A 3 -10.285 5.704 0.446 1.00 0.00 N ATOM 31 NH2 ARG A 3 -9.249 6.103 -1.506 1.00 0.00 N ATOM 0 H ARG A 3 -4.261 6.259 3.284 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.440 3.819 4.855 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.498 3.417 3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.467 5.091 4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.741 5.775 1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.822 4.100 1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.268 4.040 1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.187 5.715 2.344 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.165 5.486 -0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.257 5.424 1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.173 5.955 0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.404 6.141 -2.076 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.151 6.349 -1.914 1.00 0.00 H new ATOM 32 N LEU A 4 -2.786 3.376 2.172 1.00 0.00 N ATOM 33 CA LEU A 4 -2.011 2.320 1.441 1.00 0.00 C ATOM 34 C LEU A 4 -0.604 2.075 2.090 1.00 0.00 C ATOM 35 O LEU A 4 -0.322 0.965 2.546 1.00 0.00 O ATOM 36 CB LEU A 4 -1.965 2.700 -0.079 1.00 0.00 C ATOM 37 CG LEU A 4 -1.566 1.594 -1.106 1.00 0.00 C ATOM 38 CD1 LEU A 4 -0.128 1.071 -0.942 1.00 0.00 C ATOM 39 CD2 LEU A 4 -2.554 0.413 -1.123 1.00 0.00 C ATOM 0 H LEU A 4 -2.513 4.332 1.942 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.511 1.355 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.950 3.073 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.266 3.528 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.614 2.103 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.069 0.306 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.575 1.894 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.008 0.642 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.226 -0.325 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.589 -0.047 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.547 0.773 -1.391 1.00 0.00 H new ATOM 40 N CYS A 5 0.291 3.088 2.096 1.00 0.00 N ATOM 41 CA CYS A 5 1.733 2.871 2.427 1.00 0.00 C ATOM 42 C CYS A 5 2.152 2.914 3.948 1.00 0.00 C ATOM 43 O CYS A 5 3.341 3.081 4.246 1.00 0.00 O ATOM 44 CB CYS A 5 2.496 3.925 1.595 1.00 0.00 C ATOM 45 SG CYS A 5 1.983 5.581 2.089 1.00 0.00 S ATOM 0 H CYS A 5 0.053 4.056 1.879 1.00 0.00 H new ATOM 0 HA CYS A 5 1.980 1.838 2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.570 3.809 1.740 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.300 3.775 0.533 1.00 0.00 H new ATOM 46 N ILE A 6 1.218 2.687 4.895 1.00 0.00 N ATOM 47 CA ILE A 6 1.564 2.525 6.347 1.00 0.00 C ATOM 48 C ILE A 6 1.303 1.018 6.710 1.00 0.00 C ATOM 49 O ILE A 6 0.171 0.528 6.641 1.00 0.00 O ATOM 50 CB ILE A 6 0.776 3.560 7.241 1.00 0.00 C ATOM 51 CG1 ILE A 6 1.158 5.036 6.883 1.00 0.00 C ATOM 52 CG2 ILE A 6 1.022 3.303 8.755 1.00 0.00 C ATOM 53 CD1 ILE A 6 0.338 6.116 7.615 1.00 0.00 C ATOM 0 H ILE A 6 0.221 2.610 4.695 1.00 0.00 H new ATOM 0 HA ILE A 6 2.611 2.753 6.545 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.284 3.417 7.031 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.214 5.187 7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.038 5.176 5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.465 4.033 9.343 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.687 2.298 9.013 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.086 3.398 8.972 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.675 7.104 7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.718 5.999 7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.476 6.010 8.691 1.00 0.00 H new ATOM 54 N LYS A 7 2.375 0.281 7.066 1.00 0.00 N ATOM 55 CA LYS A 7 2.307 -1.212 7.164 1.00 0.00 C ATOM 56 C LYS A 7 1.591 -1.850 8.425 1.00 0.00 C ATOM 57 O LYS A 7 0.938 -2.876 8.207 1.00 0.00 O ATOM 58 CB LYS A 7 3.743 -1.778 6.951 1.00 0.00 C ATOM 59 CG LYS A 7 3.752 -3.276 6.566 1.00 0.00 C ATOM 60 CD LYS A 7 5.175 -3.790 6.282 1.00 0.00 C ATOM 61 CE LYS A 7 5.143 -5.273 5.888 1.00 0.00 C ATOM 62 NZ LYS A 7 6.510 -5.755 5.569 1.00 0.00 N ATOM 0 H LYS A 7 3.288 0.676 7.289 1.00 0.00 H new ATOM 0 HA LYS A 7 1.622 -1.519 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.241 -1.205 6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.321 -1.640 7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.310 -3.860 7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.129 -3.427 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.626 -3.205 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.799 -3.656 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.724 -5.863 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.491 -5.412 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.509 -6.794 5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.810 -5.366 4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.170 -5.444 6.310 1.00 0.00 H new ATOM 63 N PRO A 8 1.685 -1.365 9.715 1.00 0.00 N ATOM 64 CA PRO A 8 1.115 -2.098 10.893 1.00 0.00 C ATOM 65 C PRO A 8 -0.449 -2.265 10.952 1.00 0.00 C ATOM 66 O PRO A 8 -1.161 -1.555 11.672 1.00 0.00 O ATOM 67 CB PRO A 8 1.681 -1.286 12.084 1.00 0.00 C ATOM 68 CG PRO A 8 2.959 -0.639 11.557 1.00 0.00 C ATOM 69 CD PRO A 8 2.623 -0.293 10.109 1.00 0.00 C ATOM 0 HA PRO A 8 1.403 -3.149 10.868 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.969 -0.533 12.421 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.890 -1.932 12.937 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.223 0.250 12.130 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.807 -1.321 11.619 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.166 0.693 10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.513 -0.285 9.480 1.00 0.00 H new ATOM 70 N ARG A 9 -0.969 -3.252 10.200 1.00 0.00 N ATOM 71 CA ARG A 9 -2.428 -3.553 10.182 1.00 0.00 C ATOM 72 C ARG A 9 -2.648 -5.039 9.745 1.00 0.00 C ATOM 73 O ARG A 9 -2.881 -5.315 8.565 1.00 0.00 O ATOM 74 CB ARG A 9 -3.152 -2.522 9.254 1.00 0.00 C ATOM 75 CG ARG A 9 -4.706 -2.621 9.207 1.00 0.00 C ATOM 76 CD ARG A 9 -5.435 -2.541 10.568 1.00 0.00 C ATOM 77 NE ARG A 9 -5.157 -1.244 11.254 1.00 0.00 N ATOM 78 CZ ARG A 9 -5.596 -0.936 12.479 1.00 0.00 C ATOM 79 NH1 ARG A 9 -6.361 -1.736 13.186 1.00 0.00 N ATOM 80 NH2 ARG A 9 -5.250 0.208 12.994 1.00 0.00 N ATOM 0 H ARG A 9 -0.411 -3.857 9.597 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.863 -3.450 11.176 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.881 -1.517 9.579 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.769 -2.643 8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.081 -1.821 8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.975 -3.563 8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.509 -2.652 10.416 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.116 -3.367 11.203 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.598 -0.550 10.758 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.646 -2.638 12.804 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.670 -1.455 14.117 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.657 0.847 12.465 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.572 0.466 13.927 1.00 0.00 H new ATOM 81 N ASP A 10 -2.570 -5.991 10.713 1.00 0.00 N ATOM 82 CA ASP A 10 -2.828 -7.461 10.459 1.00 0.00 C ATOM 83 C ASP A 10 -2.224 -8.068 9.130 1.00 0.00 C ATOM 84 O ASP A 10 -2.936 -8.614 8.284 1.00 0.00 O ATOM 85 CB ASP A 10 -4.337 -7.793 10.709 1.00 0.00 C ATOM 86 CG ASP A 10 -5.360 -7.105 9.790 1.00 0.00 C ATOM 87 OD1 ASP A 10 -5.779 -5.964 9.972 1.00 0.00 O ATOM 88 OD2 ASP A 10 -5.761 -7.911 8.769 1.00 0.00 O ATOM 0 H ASP A 10 -2.331 -5.780 11.682 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.235 -8.001 11.198 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.468 -8.871 10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.576 -7.531 11.740 1.00 0.00 H new ATOM 89 N TRP A 11 -0.899 -7.910 8.943 1.00 0.00 N ATOM 90 CA TRP A 11 -0.322 -7.887 7.561 1.00 0.00 C ATOM 91 C TRP A 11 0.427 -9.186 7.095 1.00 0.00 C ATOM 92 O TRP A 11 0.366 -9.504 5.909 1.00 0.00 O ATOM 93 CB TRP A 11 0.579 -6.610 7.464 1.00 0.00 C ATOM 94 CG TRP A 11 0.547 -5.932 6.086 1.00 0.00 C ATOM 95 CD1 TRP A 11 -0.319 -4.875 5.720 1.00 0.00 C ATOM 96 CD2 TRP A 11 1.289 -6.210 4.962 1.00 0.00 C ATOM 97 NE1 TRP A 11 -0.117 -4.490 4.371 1.00 0.00 N ATOM 98 CE2 TRP A 11 0.887 -5.342 3.936 1.00 0.00 C ATOM 99 CE3 TRP A 11 2.261 -7.206 4.725 1.00 0.00 C ATOM 100 CZ2 TRP A 11 1.445 -5.455 2.646 1.00 0.00 C ATOM 101 CZ3 TRP A 11 2.798 -7.323 3.440 1.00 0.00 C ATOM 102 CH2 TRP A 11 2.398 -6.452 2.412 1.00 0.00 C ATOM 0 H TRP A 11 -0.219 -7.799 9.695 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.154 -7.853 6.858 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.258 -5.892 8.219 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.607 -6.883 7.700 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.041 -4.420 6.383 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -0.596 -3.759 3.845 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.583 -7.863 5.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.143 -4.785 1.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.529 -8.091 3.235 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.832 -6.554 1.428 1.00 0.00 H new ATOM 103 N ILE A 12 1.173 -9.896 7.980 1.00 0.00 N ATOM 104 CA ILE A 12 2.082 -11.038 7.571 1.00 0.00 C ATOM 105 C ILE A 12 3.354 -10.437 6.868 1.00 0.00 C ATOM 106 O ILE A 12 3.326 -10.118 5.679 1.00 0.00 O ATOM 107 CB ILE A 12 1.396 -12.208 6.753 1.00 0.00 C ATOM 108 CG1 ILE A 12 0.144 -12.792 7.483 1.00 0.00 C ATOM 109 CG2 ILE A 12 2.404 -13.353 6.449 1.00 0.00 C ATOM 110 CD1 ILE A 12 -0.766 -13.644 6.579 1.00 0.00 C ATOM 0 H ILE A 12 1.174 -9.711 8.983 1.00 0.00 H new ATOM 0 HA ILE A 12 2.376 -11.559 8.482 1.00 0.00 H new ATOM 0 HB ILE A 12 1.063 -11.766 5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.477 -13.401 8.323 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.439 -11.969 7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.902 -14.140 5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.234 -12.961 5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.784 -13.762 7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.612 -14.013 7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.131 -13.035 5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.200 -14.488 6.185 1.00 0.00 H new ATOM 111 N ASP A 13 4.448 -10.251 7.635 1.00 0.00 N ATOM 112 CA ASP A 13 5.536 -9.285 7.276 1.00 0.00 C ATOM 113 C ASP A 13 6.102 -9.285 5.803 1.00 0.00 C ATOM 114 O ASP A 13 5.788 -8.361 5.045 1.00 0.00 O ATOM 115 CB ASP A 13 6.623 -9.293 8.397 1.00 0.00 C ATOM 116 CG ASP A 13 7.325 -10.633 8.656 1.00 0.00 C ATOM 117 OD1 ASP A 13 8.247 -11.062 7.971 1.00 0.00 O ATOM 118 OD2 ASP A 13 6.802 -11.290 9.728 1.00 0.00 O ATOM 0 H ASP A 13 4.612 -10.751 8.509 1.00 0.00 H new ATOM 0 HA ASP A 13 5.044 -8.313 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.382 -8.553 8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.158 -8.966 9.327 1.00 0.00 H new ATOM 119 N GLU A 14 6.962 -10.241 5.409 1.00 0.00 N ATOM 120 CA GLU A 14 7.633 -10.190 4.072 1.00 0.00 C ATOM 121 C GLU A 14 8.224 -11.578 3.666 1.00 0.00 C ATOM 122 O GLU A 14 8.675 -12.362 4.507 1.00 0.00 O ATOM 123 CB GLU A 14 8.709 -9.048 4.003 1.00 0.00 C ATOM 124 CG GLU A 14 9.792 -8.976 5.122 1.00 0.00 C ATOM 125 CD GLU A 14 10.828 -10.101 5.103 1.00 0.00 C ATOM 126 OE1 GLU A 14 11.503 -10.389 4.118 1.00 0.00 O ATOM 127 OE2 GLU A 14 10.918 -10.737 6.303 1.00 0.00 O ATOM 0 H GLU A 14 7.214 -11.050 5.977 1.00 0.00 H new ATOM 0 HA GLU A 14 6.866 -9.946 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.226 -9.137 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.180 -8.095 3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.314 -8.023 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.291 -8.982 6.090 1.00 0.00 H new ATOM 128 N CYS A 15 8.253 -11.850 2.346 1.00 0.00 N ATOM 129 CA CYS A 15 8.918 -13.077 1.802 1.00 0.00 C ATOM 130 C CYS A 15 10.298 -12.818 1.074 1.00 0.00 C ATOM 131 O CYS A 15 10.709 -13.626 0.241 1.00 0.00 O ATOM 132 CB CYS A 15 7.858 -13.788 0.920 1.00 0.00 C ATOM 133 SG CYS A 15 6.625 -14.560 1.997 1.00 0.00 S ATOM 0 H CYS A 15 7.832 -11.252 1.635 1.00 0.00 H new ATOM 0 HA CYS A 15 9.232 -13.723 2.622 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.380 -13.071 0.253 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.334 -14.541 0.291 1.00 0.00 H new ATOM 134 N ASP A 16 11.030 -11.738 1.451 1.00 0.00 N ATOM 135 CA ASP A 16 12.441 -11.462 1.014 1.00 0.00 C ATOM 136 C ASP A 16 12.728 -11.327 -0.531 1.00 0.00 C ATOM 137 O ASP A 16 12.064 -11.926 -1.375 1.00 0.00 O ATOM 138 CB ASP A 16 13.468 -12.338 1.799 1.00 0.00 C ATOM 139 CG ASP A 16 13.708 -13.749 1.262 1.00 0.00 C ATOM 140 OD1 ASP A 16 14.481 -13.995 0.342 1.00 0.00 O ATOM 141 OD2 ASP A 16 12.989 -14.692 1.930 1.00 0.00 O ATOM 0 H ASP A 16 10.661 -11.020 2.075 1.00 0.00 H new ATOM 0 HA ASP A 16 12.597 -10.424 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.423 -11.812 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.129 -12.419 2.832 1.00 0.00 H new ATOM 142 N SER A 17 13.758 -10.532 -0.893 1.00 0.00 N ATOM 143 CA SER A 17 14.104 -10.297 -2.335 1.00 0.00 C ATOM 144 C SER A 17 14.612 -11.543 -3.150 1.00 0.00 C ATOM 145 O SER A 17 14.230 -11.701 -4.313 1.00 0.00 O ATOM 146 CB SER A 17 15.086 -9.103 -2.439 1.00 0.00 C ATOM 147 OG SER A 17 16.374 -9.414 -1.901 1.00 0.00 O ATOM 0 H SER A 17 14.361 -10.045 -0.230 1.00 0.00 H new ATOM 0 HA SER A 17 13.158 -10.065 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.191 -8.812 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.670 -8.246 -1.909 1.00 0.00 H new ATOM 0 HG SER A 17 16.962 -8.635 -1.988 1.00 0.00 H new ATOM 148 N ASN A 18 15.455 -12.425 -2.566 1.00 0.00 N ATOM 149 CA ASN A 18 15.918 -13.655 -3.277 1.00 0.00 C ATOM 150 C ASN A 18 14.991 -14.875 -2.933 1.00 0.00 C ATOM 151 O ASN A 18 15.347 -15.760 -2.149 1.00 0.00 O ATOM 152 CB ASN A 18 17.418 -13.868 -2.917 1.00 0.00 C ATOM 153 CG ASN A 18 18.136 -14.871 -3.828 1.00 0.00 C ATOM 154 OD1 ASN A 18 18.247 -16.055 -3.534 1.00 0.00 O ATOM 155 ND2 ASN A 18 18.647 -14.423 -4.952 1.00 0.00 N ATOM 0 H ASN A 18 15.827 -12.318 -1.622 1.00 0.00 H new ATOM 0 HA ASN A 18 15.844 -13.549 -4.359 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.934 -12.909 -2.969 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.489 -14.213 -1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 18 19.136 -15.061 -5.580 1.00 0.00 H new ATOM 0 HD22 ASN A 18 18.555 -13.437 -5.197 1.00 0.00 H new ATOM 156 N GLU A 19 13.783 -14.898 -3.532 1.00 0.00 N ATOM 157 CA GLU A 19 12.776 -15.960 -3.234 1.00 0.00 C ATOM 158 C GLU A 19 11.912 -16.259 -4.508 1.00 0.00 C ATOM 159 O GLU A 19 12.104 -17.291 -5.155 1.00 0.00 O ATOM 160 CB GLU A 19 11.976 -15.548 -1.948 1.00 0.00 C ATOM 161 CG GLU A 19 11.021 -16.619 -1.343 1.00 0.00 C ATOM 162 CD GLU A 19 9.753 -16.898 -2.153 1.00 0.00 C ATOM 163 OE1 GLU A 19 8.965 -15.791 -2.281 1.00 0.00 O ATOM 164 OE2 GLU A 19 9.495 -17.985 -2.658 1.00 0.00 O ATOM 0 H GLU A 19 13.475 -14.208 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 19 13.247 -16.914 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.693 -15.259 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.387 -14.662 -2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.573 -17.552 -1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.730 -16.299 -0.343 1.00 0.00 H new ATOM 165 N GLY A 20 10.944 -15.382 -4.839 1.00 0.00 N ATOM 166 CA GLY A 20 9.901 -15.710 -5.848 1.00 0.00 C ATOM 167 C GLY A 20 8.550 -15.083 -5.448 1.00 0.00 C ATOM 168 O GLY A 20 7.797 -15.669 -4.662 1.00 0.00 O ATOM 0 H GLY A 20 10.857 -14.451 -4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.205 -15.341 -6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.796 -16.792 -5.934 1.00 0.00 H new ATOM 169 N GLY A 21 8.258 -13.877 -5.959 1.00 0.00 N ATOM 170 CA GLY A 21 7.044 -13.139 -5.525 1.00 0.00 C ATOM 171 C GLY A 21 6.948 -11.693 -6.064 1.00 0.00 C ATOM 172 O GLY A 21 7.924 -11.085 -6.515 1.00 0.00 O ATOM 0 H GLY A 21 8.825 -13.395 -6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.162 -13.693 -5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.022 -13.110 -4.436 1.00 0.00 H new ATOM 173 N GLU A 22 5.730 -11.140 -5.979 1.00 0.00 N ATOM 174 CA GLU A 22 5.458 -9.739 -6.421 1.00 0.00 C ATOM 175 C GLU A 22 5.768 -8.680 -5.302 1.00 0.00 C ATOM 176 O GLU A 22 5.598 -8.924 -4.101 1.00 0.00 O ATOM 177 CB GLU A 22 4.013 -9.652 -6.991 1.00 0.00 C ATOM 178 CG GLU A 22 2.853 -9.987 -6.013 1.00 0.00 C ATOM 179 CD GLU A 22 1.503 -9.994 -6.721 1.00 0.00 C ATOM 180 OE1 GLU A 22 0.845 -8.982 -6.952 1.00 0.00 O ATOM 181 OE2 GLU A 22 1.113 -11.254 -7.065 1.00 0.00 O ATOM 0 H GLU A 22 4.913 -11.627 -5.612 1.00 0.00 H new ATOM 0 HA GLU A 22 6.147 -9.478 -7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.857 -8.642 -7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.943 -10.326 -7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.030 -10.962 -5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.836 -9.256 -5.204 1.00 0.00 H new ATOM 182 N ARG A 23 6.271 -7.507 -5.731 1.00 0.00 N ATOM 183 CA ARG A 23 6.891 -6.521 -4.800 1.00 0.00 C ATOM 184 C ARG A 23 5.930 -5.382 -4.315 1.00 0.00 C ATOM 185 O ARG A 23 5.100 -4.864 -5.073 1.00 0.00 O ATOM 186 CB ARG A 23 8.193 -5.953 -5.452 1.00 0.00 C ATOM 187 CG ARG A 23 8.061 -4.899 -6.590 1.00 0.00 C ATOM 188 CD ARG A 23 7.658 -5.464 -7.965 1.00 0.00 C ATOM 189 NE ARG A 23 7.572 -4.336 -8.934 1.00 0.00 N ATOM 190 CZ ARG A 23 7.555 -4.474 -10.261 1.00 0.00 C ATOM 191 NH1 ARG A 23 7.676 -5.631 -10.867 1.00 0.00 N ATOM 192 NH2 ARG A 23 7.407 -3.401 -10.980 1.00 0.00 N ATOM 0 H ARG A 23 6.265 -7.212 -6.707 1.00 0.00 H new ATOM 0 HA ARG A 23 7.136 -7.058 -3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.793 -5.509 -4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.760 -6.796 -5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.323 -4.155 -6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.013 -4.379 -6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.390 -6.198 -8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.699 -5.978 -7.897 1.00 0.00 H new ATOM 0 HE ARG A 23 7.523 -3.390 -8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.790 -6.484 -10.319 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.656 -5.678 -11.886 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.309 -2.493 -10.526 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.389 -3.467 -11.998 1.00 0.00 H new ATOM 193 N ALA A 24 6.121 -4.954 -3.054 1.00 0.00 N ATOM 194 CA ALA A 24 5.485 -3.719 -2.522 1.00 0.00 C ATOM 195 C ALA A 24 6.546 -2.650 -2.114 1.00 0.00 C ATOM 196 O ALA A 24 7.669 -2.967 -1.700 1.00 0.00 O ATOM 197 CB ALA A 24 4.646 -4.101 -1.295 1.00 0.00 C ATOM 0 H ALA A 24 6.710 -5.441 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 24 4.863 -3.282 -3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.170 -3.209 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.881 -4.820 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.291 -4.546 -0.537 1.00 0.00 H new ATOM 198 N TYR A 25 6.139 -1.372 -2.208 1.00 0.00 N ATOM 199 CA TYR A 25 7.009 -0.226 -1.819 1.00 0.00 C ATOM 200 C TYR A 25 6.265 0.614 -0.724 1.00 0.00 C ATOM 201 O TYR A 25 5.339 1.375 -1.023 1.00 0.00 O ATOM 202 CB TYR A 25 7.349 0.616 -3.085 1.00 0.00 C ATOM 203 CG TYR A 25 8.382 -0.019 -4.043 1.00 0.00 C ATOM 204 CD1 TYR A 25 7.964 -0.893 -5.051 1.00 0.00 C ATOM 205 CD2 TYR A 25 9.739 0.308 -3.943 1.00 0.00 C ATOM 206 CE1 TYR A 25 8.884 -1.421 -5.951 1.00 0.00 C ATOM 207 CE2 TYR A 25 10.658 -0.228 -4.845 1.00 0.00 C ATOM 208 CZ TYR A 25 10.229 -1.092 -5.847 1.00 0.00 C ATOM 209 OH TYR A 25 11.125 -1.625 -6.733 1.00 0.00 O ATOM 0 H TYR A 25 5.217 -1.097 -2.548 1.00 0.00 H new ATOM 0 HA TYR A 25 7.953 -0.571 -1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.428 0.797 -3.639 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.725 1.588 -2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.921 -1.160 -5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.076 0.977 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.551 -2.088 -6.732 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.704 0.028 -4.765 1.00 0.00 H new ATOM 0 HH TYR A 25 12.025 -1.296 -6.526 1.00 0.00 H new ATOM 210 N PHE A 26 6.671 0.453 0.553 1.00 0.00 N ATOM 211 CA PHE A 26 5.999 1.151 1.702 1.00 0.00 C ATOM 212 C PHE A 26 6.828 2.372 2.230 1.00 0.00 C ATOM 213 O PHE A 26 8.038 2.475 2.026 1.00 0.00 O ATOM 214 CB PHE A 26 5.745 0.111 2.841 1.00 0.00 C ATOM 215 CG PHE A 26 4.402 -0.636 2.714 1.00 0.00 C ATOM 216 CD1 PHE A 26 4.213 -1.632 1.751 1.00 0.00 C ATOM 217 CD2 PHE A 26 3.348 -0.306 3.571 1.00 0.00 C ATOM 218 CE1 PHE A 26 2.986 -2.285 1.651 1.00 0.00 C ATOM 219 CE2 PHE A 26 2.117 -0.945 3.452 1.00 0.00 C ATOM 220 CZ PHE A 26 1.936 -1.930 2.491 1.00 0.00 C ATOM 0 H PHE A 26 7.451 -0.145 0.827 1.00 0.00 H new ATOM 0 HA PHE A 26 5.051 1.560 1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.556 -0.617 2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.775 0.624 3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.020 -1.896 1.083 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.490 0.449 4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.850 -3.068 0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.303 -0.674 4.108 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.979 -2.421 2.395 1.00 0.00 H new ATOM 221 N ARG A 27 6.156 3.300 2.940 1.00 0.00 N ATOM 222 CA ARG A 27 6.821 4.521 3.483 1.00 0.00 C ATOM 223 C ARG A 27 7.618 4.222 4.799 1.00 0.00 C ATOM 224 O ARG A 27 7.028 3.857 5.824 1.00 0.00 O ATOM 225 CB ARG A 27 5.685 5.568 3.708 1.00 0.00 C ATOM 226 CG ARG A 27 6.116 6.932 4.340 1.00 0.00 C ATOM 227 CD ARG A 27 5.419 7.267 5.681 1.00 0.00 C ATOM 228 NE ARG A 27 5.819 6.284 6.728 1.00 0.00 N ATOM 229 CZ ARG A 27 5.463 6.353 8.010 1.00 0.00 C ATOM 230 NH1 ARG A 27 4.714 7.311 8.497 1.00 0.00 N ATOM 231 NH2 ARG A 27 5.889 5.424 8.813 1.00 0.00 N ATOM 0 H ARG A 27 5.161 3.237 3.154 1.00 0.00 H new ATOM 0 HA ARG A 27 7.568 4.901 2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.211 5.770 2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.927 5.118 4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.194 6.920 4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.908 7.730 3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.687 8.275 5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.337 7.251 5.551 1.00 0.00 H new ATOM 0 HE ARG A 27 6.408 5.502 6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.373 8.053 7.885 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.471 7.315 9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.478 4.672 8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.635 5.447 9.801 1.00 0.00 H new ATOM 232 N ASN A 28 8.944 4.488 4.802 1.00 0.00 N ATOM 233 CA ASN A 28 9.737 4.472 6.074 1.00 0.00 C ATOM 234 C ASN A 28 9.372 5.671 7.029 1.00 0.00 C ATOM 235 O ASN A 28 8.830 5.454 8.115 1.00 0.00 O ATOM 236 CB ASN A 28 11.260 4.277 5.783 1.00 0.00 C ATOM 237 CG ASN A 28 12.031 5.365 5.001 1.00 0.00 C ATOM 238 OD1 ASN A 28 11.527 6.415 4.609 1.00 0.00 O ATOM 239 ND2 ASN A 28 13.299 5.127 4.767 1.00 0.00 N ATOM 0 H ASN A 28 9.485 4.712 3.967 1.00 0.00 H new ATOM 0 HA ASN A 28 9.447 3.596 6.655 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.762 4.147 6.742 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.371 3.341 5.236 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.862 5.812 4.262 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.723 4.257 5.090 1.00 0.00 H new ATOM 240 N GLY A 29 9.603 6.918 6.587 1.00 0.00 N ATOM 241 CA GLY A 29 9.123 8.123 7.310 1.00 0.00 C ATOM 242 C GLY A 29 9.110 9.327 6.350 1.00 0.00 C ATOM 243 O GLY A 29 8.145 9.531 5.608 1.00 0.00 O ATOM 0 H GLY A 29 10.119 7.126 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.122 7.949 7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.770 8.331 8.162 1.00 0.00 H new ATOM 244 N LYS A 30 10.210 10.096 6.345 1.00 0.00 N ATOM 245 CA LYS A 30 10.444 11.137 5.299 1.00 0.00 C ATOM 246 C LYS A 30 11.876 10.920 4.707 1.00 0.00 C ATOM 247 O LYS A 30 12.842 11.590 5.083 1.00 0.00 O ATOM 248 CB LYS A 30 10.248 12.562 5.905 1.00 0.00 C ATOM 249 CG LYS A 30 8.772 12.959 6.197 1.00 0.00 C ATOM 250 CD LYS A 30 7.912 13.294 4.951 1.00 0.00 C ATOM 251 CE LYS A 30 8.286 14.643 4.301 1.00 0.00 C ATOM 252 NZ LYS A 30 7.343 14.954 3.192 1.00 0.00 N ATOM 0 H LYS A 30 10.952 10.028 7.041 1.00 0.00 H new ATOM 0 HA LYS A 30 9.721 11.048 4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.815 12.626 6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.676 13.293 5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.294 12.142 6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.771 13.824 6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.026 12.499 4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.861 13.315 5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.256 15.436 5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.307 14.602 3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.775 15.654 2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.133 14.085 2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.461 15.341 3.584 1.00 0.00 H new ATOM 253 N GLY A 31 11.994 9.953 3.780 1.00 0.00 N ATOM 254 CA GLY A 31 13.312 9.586 3.198 1.00 0.00 C ATOM 255 C GLY A 31 13.190 8.725 1.924 1.00 0.00 C ATOM 256 O GLY A 31 13.558 9.175 0.837 1.00 0.00 O ATOM 0 H GLY A 31 11.208 9.414 3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.865 10.495 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.893 9.042 3.943 1.00 0.00 H new ATOM 257 N GLY A 32 12.688 7.485 2.056 1.00 0.00 N ATOM 258 CA GLY A 32 12.557 6.576 0.886 1.00 0.00 C ATOM 259 C GLY A 32 11.550 5.421 1.091 1.00 0.00 C ATOM 260 O GLY A 32 10.736 5.407 2.021 1.00 0.00 O ATOM 0 H GLY A 32 12.370 7.088 2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.251 7.160 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.535 6.154 0.657 1.00 0.00 H new ATOM 261 N CYS A 33 11.603 4.449 0.170 1.00 0.00 N ATOM 262 CA CYS A 33 10.638 3.318 0.176 1.00 0.00 C ATOM 263 C CYS A 33 11.259 1.982 0.694 1.00 0.00 C ATOM 264 O CYS A 33 12.385 1.610 0.347 1.00 0.00 O ATOM 265 CB CYS A 33 10.117 3.121 -1.256 1.00 0.00 C ATOM 266 SG CYS A 33 9.432 4.644 -1.921 1.00 0.00 S ATOM 0 H CYS A 33 12.290 4.414 -0.583 1.00 0.00 H new ATOM 0 HA CYS A 33 9.832 3.572 0.864 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.929 2.776 -1.896 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.353 2.343 -1.263 1.00 0.00 H new ATOM 267 N ASP A 34 10.462 1.222 1.467 1.00 0.00 N ATOM 268 CA ASP A 34 10.820 -0.176 1.843 1.00 0.00 C ATOM 269 C ASP A 34 10.408 -1.154 0.691 1.00 0.00 C ATOM 270 O ASP A 34 9.227 -1.477 0.525 1.00 0.00 O ATOM 271 CB ASP A 34 10.096 -0.557 3.166 1.00 0.00 C ATOM 272 CG ASP A 34 10.606 0.175 4.405 1.00 0.00 C ATOM 273 OD1 ASP A 34 11.788 -0.334 4.850 1.00 0.00 O ATOM 274 OD2 ASP A 34 10.009 1.103 4.943 1.00 0.00 O ATOM 0 H ASP A 34 9.570 1.541 1.846 1.00 0.00 H new ATOM 0 HA ASP A 34 11.897 -0.252 1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.031 -0.354 3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.201 -1.630 3.326 1.00 0.00 H new ATOM 275 N SER A 35 11.398 -1.611 -0.100 1.00 0.00 N ATOM 276 CA SER A 35 11.141 -2.516 -1.257 1.00 0.00 C ATOM 277 C SER A 35 11.221 -4.018 -0.836 1.00 0.00 C ATOM 278 O SER A 35 12.315 -4.531 -0.565 1.00 0.00 O ATOM 279 CB SER A 35 12.188 -2.195 -2.354 1.00 0.00 C ATOM 280 OG SER A 35 13.510 -2.545 -1.934 1.00 0.00 O ATOM 0 H SER A 35 12.381 -1.375 0.033 1.00 0.00 H new ATOM 0 HA SER A 35 10.132 -2.350 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.939 -2.737 -3.266 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.151 -1.133 -2.595 1.00 0.00 H new ATOM 0 HG SER A 35 13.471 -3.336 -1.356 1.00 0.00 H new ATOM 281 N PHE A 36 10.072 -4.715 -0.778 1.00 0.00 N ATOM 282 CA PHE A 36 10.033 -6.125 -0.271 1.00 0.00 C ATOM 283 C PHE A 36 9.001 -7.013 -1.047 1.00 0.00 C ATOM 284 O PHE A 36 8.033 -6.519 -1.634 1.00 0.00 O ATOM 285 CB PHE A 36 9.788 -6.126 1.277 1.00 0.00 C ATOM 286 CG PHE A 36 8.399 -5.631 1.739 1.00 0.00 C ATOM 287 CD1 PHE A 36 7.316 -6.515 1.777 1.00 0.00 C ATOM 288 CD2 PHE A 36 8.201 -4.290 2.077 1.00 0.00 C ATOM 289 CE1 PHE A 36 6.049 -6.059 2.114 1.00 0.00 C ATOM 290 CE2 PHE A 36 6.932 -3.837 2.425 1.00 0.00 C ATOM 291 CZ PHE A 36 5.853 -4.719 2.433 1.00 0.00 C ATOM 0 H PHE A 36 9.166 -4.346 -1.067 1.00 0.00 H new ATOM 0 HA PHE A 36 11.003 -6.584 -0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.933 -7.141 1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.549 -5.503 1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.466 -7.559 1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 36 9.035 -3.603 2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.215 -6.745 2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.783 -2.800 2.689 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.866 -4.363 2.687 1.00 0.00 H new ATOM 292 N TRP A 37 9.200 -8.348 -1.011 1.00 0.00 N ATOM 293 CA TRP A 37 8.231 -9.306 -1.628 1.00 0.00 C ATOM 294 C TRP A 37 7.016 -9.533 -0.656 1.00 0.00 C ATOM 295 O TRP A 37 7.188 -9.798 0.540 1.00 0.00 O ATOM 296 CB TRP A 37 8.949 -10.649 -1.938 1.00 0.00 C ATOM 297 CG TRP A 37 9.784 -10.799 -3.238 1.00 0.00 C ATOM 298 CD1 TRP A 37 10.127 -12.082 -3.725 1.00 0.00 C ATOM 299 CD2 TRP A 37 10.450 -9.905 -4.081 1.00 0.00 C ATOM 300 NE1 TRP A 37 10.980 -12.010 -4.849 1.00 0.00 N ATOM 301 CE2 TRP A 37 11.166 -10.656 -5.035 1.00 0.00 C ATOM 302 CE3 TRP A 37 10.546 -8.488 -4.079 1.00 0.00 C ATOM 303 CZ2 TRP A 37 12.003 -10.020 -5.976 1.00 0.00 C ATOM 304 CZ3 TRP A 37 11.378 -7.871 -5.017 1.00 0.00 C ATOM 305 CH2 TRP A 37 12.098 -8.627 -5.954 1.00 0.00 C ATOM 0 H TRP A 37 10.007 -8.791 -0.571 1.00 0.00 H new ATOM 0 HA TRP A 37 7.852 -8.892 -2.562 1.00 0.00 H new ATOM 0 HB2 TRP A 37 9.612 -10.863 -1.100 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.188 -11.429 -1.950 1.00 0.00 H new ATOM 0 HD1 TRP A 37 9.778 -13.007 -3.289 1.00 0.00 H new ATOM 0 HE1 TRP A 37 11.368 -12.779 -5.395 1.00 0.00 H new ATOM 0 HE3 TRP A 37 9.987 -7.899 -3.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.559 -10.599 -6.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 11.468 -6.795 -5.021 1.00 0.00 H new ATOM 0 HH2 TRP A 37 12.734 -8.125 -6.668 1.00 0.00 H new ATOM 306 N ILE A 38 5.786 -9.414 -1.190 1.00 0.00 N ATOM 307 CA ILE A 38 4.540 -9.318 -0.347 1.00 0.00 C ATOM 308 C ILE A 38 4.218 -10.562 0.567 1.00 0.00 C ATOM 309 O ILE A 38 3.710 -10.358 1.671 1.00 0.00 O ATOM 310 CB ILE A 38 3.342 -8.902 -1.304 1.00 0.00 C ATOM 311 CG1 ILE A 38 3.483 -7.416 -1.755 1.00 0.00 C ATOM 312 CG2 ILE A 38 1.925 -9.079 -0.680 1.00 0.00 C ATOM 313 CD1 ILE A 38 2.667 -7.033 -3.003 1.00 0.00 C ATOM 0 H ILE A 38 5.610 -9.381 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 38 4.711 -8.551 0.408 1.00 0.00 H new ATOM 0 HB ILE A 38 3.419 -9.586 -2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.180 -6.772 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.535 -7.210 -1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.169 -8.771 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.771 -10.126 -0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.843 -8.464 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.831 -5.981 -3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.984 -7.646 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.607 -7.201 -2.810 1.00 0.00 H new ATOM 314 N CYS A 39 4.435 -11.808 0.081 1.00 0.00 N ATOM 315 CA CYS A 39 3.741 -13.033 0.606 1.00 0.00 C ATOM 316 C CYS A 39 2.266 -13.069 0.028 1.00 0.00 C ATOM 317 O CYS A 39 1.390 -12.420 0.612 1.00 0.00 O ATOM 318 CB CYS A 39 3.769 -13.232 2.146 1.00 0.00 C ATOM 319 SG CYS A 39 5.434 -13.182 2.839 1.00 0.00 S ATOM 0 H CYS A 39 5.087 -12.003 -0.679 1.00 0.00 H new ATOM 0 HA CYS A 39 4.320 -13.885 0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.163 -12.458 2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.309 -14.190 2.391 1.00 0.00 H new ATOM 320 N PRO A 40 1.951 -13.768 -1.117 1.00 0.00 N ATOM 321 CA PRO A 40 0.665 -13.563 -1.865 1.00 0.00 C ATOM 322 C PRO A 40 -0.732 -13.684 -1.164 1.00 0.00 C ATOM 323 O PRO A 40 -1.710 -13.148 -1.691 1.00 0.00 O ATOM 324 CB PRO A 40 0.809 -14.575 -3.019 1.00 0.00 C ATOM 325 CG PRO A 40 2.312 -14.637 -3.288 1.00 0.00 C ATOM 326 CD PRO A 40 2.947 -14.534 -1.902 1.00 0.00 C ATOM 0 HA PRO A 40 0.594 -12.502 -2.105 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.415 -15.553 -2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.261 -14.250 -3.903 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.589 -15.567 -3.785 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.634 -13.821 -3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.127 -15.518 -1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.908 -14.021 -1.939 1.00 0.00 H new ATOM 327 N GLU A 41 -0.841 -14.355 -0.001 1.00 0.00 N ATOM 328 CA GLU A 41 -2.123 -14.400 0.777 1.00 0.00 C ATOM 329 C GLU A 41 -2.661 -13.009 1.295 1.00 0.00 C ATOM 330 O GLU A 41 -3.863 -12.745 1.197 1.00 0.00 O ATOM 331 CB GLU A 41 -2.016 -15.487 1.894 1.00 0.00 C ATOM 332 CG GLU A 41 -1.198 -15.152 3.178 1.00 0.00 C ATOM 333 CD GLU A 41 0.277 -14.808 2.948 1.00 0.00 C ATOM 334 OE1 GLU A 41 1.083 -15.569 2.422 1.00 0.00 O ATOM 335 OE2 GLU A 41 0.581 -13.547 3.368 1.00 0.00 O ATOM 0 H GLU A 41 -0.074 -14.872 0.428 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.904 -14.689 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.029 -15.746 2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.581 -16.381 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.675 -14.312 3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.253 -16.004 3.856 1.00 0.00 H new ATOM 336 N ASP A 42 -1.782 -12.112 1.801 1.00 0.00 N ATOM 337 CA ASP A 42 -2.181 -10.709 2.109 1.00 0.00 C ATOM 338 C ASP A 42 -2.172 -9.875 0.785 1.00 0.00 C ATOM 339 O ASP A 42 -1.122 -9.426 0.317 1.00 0.00 O ATOM 340 CB ASP A 42 -1.210 -10.162 3.189 1.00 0.00 C ATOM 341 CG ASP A 42 -1.536 -8.739 3.651 1.00 0.00 C ATOM 342 OD1 ASP A 42 -2.337 -8.476 4.541 1.00 0.00 O ATOM 343 OD2 ASP A 42 -0.839 -7.802 2.953 1.00 0.00 O ATOM 0 H ASP A 42 -0.805 -12.325 2.004 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.192 -10.646 2.510 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.230 -10.827 4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.194 -10.182 2.794 1.00 0.00 H new ATOM 344 N HIS A 43 -3.354 -9.701 0.164 1.00 0.00 N ATOM 345 CA HIS A 43 -3.432 -9.067 -1.187 1.00 0.00 C ATOM 346 C HIS A 43 -4.799 -8.361 -1.472 1.00 0.00 C ATOM 347 O HIS A 43 -4.795 -7.192 -1.856 1.00 0.00 O ATOM 348 CB HIS A 43 -3.059 -10.133 -2.264 1.00 0.00 C ATOM 349 CG HIS A 43 -2.675 -9.527 -3.606 1.00 0.00 C ATOM 350 ND1 HIS A 43 -3.570 -9.229 -4.619 1.00 0.00 N ATOM 351 CD2 HIS A 43 -1.363 -9.201 -4.006 1.00 0.00 C ATOM 352 CE1 HIS A 43 -2.715 -8.741 -5.567 1.00 0.00 C ATOM 353 NE2 HIS A 43 -1.378 -8.678 -5.291 1.00 0.00 N ATOM 0 H HIS A 43 -4.254 -9.979 0.556 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.709 -8.252 -1.226 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.229 -10.736 -1.895 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.904 -10.806 -2.406 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.478 -9.338 -3.402 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.092 -8.409 -6.523 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.607 -8.341 -5.868 1.00 0.00 H new ATOM 354 N THR A 44 -5.939 -9.087 -1.367 1.00 0.00 N ATOM 355 CA THR A 44 -7.309 -8.563 -1.721 1.00 0.00 C ATOM 356 C THR A 44 -7.605 -8.224 -3.232 1.00 0.00 C ATOM 357 O THR A 44 -8.695 -8.540 -3.715 1.00 0.00 O ATOM 358 CB THR A 44 -7.904 -7.529 -0.703 1.00 0.00 C ATOM 359 OG1 THR A 44 -9.322 -7.538 -0.825 1.00 0.00 O ATOM 360 CG2 THR A 44 -7.459 -6.061 -0.843 1.00 0.00 C ATOM 0 H THR A 44 -5.950 -10.052 -1.037 1.00 0.00 H new ATOM 0 HA THR A 44 -7.897 -9.472 -1.592 1.00 0.00 H new ATOM 0 HB THR A 44 -7.521 -7.864 0.261 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.709 -6.897 -0.193 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.947 -5.458 -0.077 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.378 -5.996 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.737 -5.689 -1.829 1.00 0.00 H new ATOM 361 N GLY A 45 -6.683 -7.571 -3.961 1.00 0.00 N ATOM 362 CA GLY A 45 -6.961 -7.148 -5.363 1.00 0.00 C ATOM 363 C GLY A 45 -5.721 -6.578 -6.073 1.00 0.00 C ATOM 364 O GLY A 45 -5.141 -7.232 -6.942 1.00 0.00 O ATOM 0 H GLY A 45 -5.754 -7.324 -3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.336 -8.002 -5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.750 -6.396 -5.361 1.00 0.00 H new ATOM 365 N ALA A 46 -5.320 -5.355 -5.699 1.00 0.00 N ATOM 366 CA ALA A 46 -4.135 -4.692 -6.304 1.00 0.00 C ATOM 367 C ALA A 46 -2.790 -5.033 -5.570 1.00 0.00 C ATOM 368 O ALA A 46 -2.761 -5.435 -4.401 1.00 0.00 O ATOM 369 CB ALA A 46 -4.439 -3.179 -6.262 1.00 0.00 C ATOM 0 H ALA A 46 -5.790 -4.799 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.980 -5.050 -7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.604 -2.628 -6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.344 -2.974 -6.834 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.584 -2.866 -5.228 1.00 0.00 H new ATOM 370 N ASP A 47 -1.658 -4.833 -6.276 1.00 0.00 N ATOM 371 CA ASP A 47 -0.313 -4.861 -5.626 1.00 0.00 C ATOM 372 C ASP A 47 -0.065 -3.525 -4.831 1.00 0.00 C ATOM 373 O ASP A 47 -0.440 -2.436 -5.286 1.00 0.00 O ATOM 374 CB ASP A 47 0.730 -5.100 -6.758 1.00 0.00 C ATOM 375 CG ASP A 47 2.148 -5.400 -6.271 1.00 0.00 C ATOM 376 OD1 ASP A 47 2.834 -4.271 -5.939 1.00 0.00 O ATOM 377 OD2 ASP A 47 2.612 -6.532 -6.197 1.00 0.00 O ATOM 0 H ASP A 47 -1.637 -4.653 -7.280 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.231 -5.661 -4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.390 -5.931 -7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.760 -4.218 -7.398 1.00 0.00 H new ATOM 378 N TYR A 48 0.563 -3.612 -3.638 1.00 0.00 N ATOM 379 CA TYR A 48 0.707 -2.422 -2.733 1.00 0.00 C ATOM 380 C TYR A 48 1.846 -1.451 -3.220 1.00 0.00 C ATOM 381 O TYR A 48 2.963 -1.443 -2.689 1.00 0.00 O ATOM 382 CB TYR A 48 0.964 -2.876 -1.264 1.00 0.00 C ATOM 383 CG TYR A 48 -0.075 -3.814 -0.623 1.00 0.00 C ATOM 384 CD1 TYR A 48 0.087 -5.198 -0.739 1.00 0.00 C ATOM 385 CD2 TYR A 48 -1.141 -3.307 0.126 1.00 0.00 C ATOM 386 CE1 TYR A 48 -0.812 -6.064 -0.130 1.00 0.00 C ATOM 387 CE2 TYR A 48 -2.042 -4.179 0.738 1.00 0.00 C ATOM 388 CZ TYR A 48 -1.877 -5.556 0.608 1.00 0.00 C ATOM 389 OH TYR A 48 -2.748 -6.413 1.223 1.00 0.00 O ATOM 0 H TYR A 48 0.975 -4.471 -3.273 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.232 -1.869 -2.769 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.934 -3.373 -1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.041 -1.983 -0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.916 -5.596 -1.305 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.267 -2.240 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.685 -7.132 -0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.868 -3.786 1.313 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.262 -6.965 1.871 1.00 0.00 H new ATOM 390 N TYR A 49 1.525 -0.645 -4.256 1.00 0.00 N ATOM 391 CA TYR A 49 2.524 0.205 -4.977 1.00 0.00 C ATOM 392 C TYR A 49 3.623 -0.661 -5.679 1.00 0.00 C ATOM 393 O TYR A 49 4.568 -1.130 -5.042 1.00 0.00 O ATOM 394 CB TYR A 49 3.120 1.354 -4.096 1.00 0.00 C ATOM 395 CG TYR A 49 2.174 2.492 -3.623 1.00 0.00 C ATOM 396 CD1 TYR A 49 0.915 2.752 -4.190 1.00 0.00 C ATOM 397 CD2 TYR A 49 2.644 3.331 -2.607 1.00 0.00 C ATOM 398 CE1 TYR A 49 0.145 3.822 -3.737 1.00 0.00 C ATOM 399 CE2 TYR A 49 1.879 4.411 -2.173 1.00 0.00 C ATOM 400 CZ TYR A 49 0.627 4.647 -2.727 1.00 0.00 C ATOM 401 OH TYR A 49 -0.133 5.691 -2.276 1.00 0.00 O ATOM 0 H TYR A 49 0.576 -0.559 -4.621 1.00 0.00 H new ATOM 0 HA TYR A 49 1.974 0.718 -5.766 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.559 0.898 -3.209 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.936 1.812 -4.656 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.542 2.119 -4.981 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.607 3.140 -2.156 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.826 4.010 -4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.260 5.067 -1.404 1.00 0.00 H new ATOM 0 HH TYR A 49 0.351 6.166 -1.568 1.00 0.00 H new ATOM 402 N SER A 50 3.489 -0.867 -7.003 1.00 0.00 N ATOM 403 CA SER A 50 4.471 -1.689 -7.778 1.00 0.00 C ATOM 404 C SER A 50 5.830 -0.995 -8.168 1.00 0.00 C ATOM 405 O SER A 50 6.738 -1.682 -8.651 1.00 0.00 O ATOM 406 CB SER A 50 3.743 -2.228 -9.036 1.00 0.00 C ATOM 407 OG SER A 50 3.369 -1.165 -9.920 1.00 0.00 O ATOM 0 H SER A 50 2.726 -0.487 -7.563 1.00 0.00 H new ATOM 0 HA SER A 50 4.797 -2.484 -7.107 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.392 -2.929 -9.561 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.854 -2.782 -8.734 1.00 0.00 H new ATOM 0 HG SER A 50 2.914 -1.537 -10.704 1.00 0.00 H new ATOM 408 N SER A 51 5.988 0.331 -7.972 1.00 0.00 N ATOM 409 CA SER A 51 7.253 1.042 -8.317 1.00 0.00 C ATOM 410 C SER A 51 7.694 2.052 -7.208 1.00 0.00 C ATOM 411 O SER A 51 6.880 2.574 -6.433 1.00 0.00 O ATOM 412 CB SER A 51 7.073 1.745 -9.691 1.00 0.00 C ATOM 413 OG SER A 51 6.243 2.909 -9.599 1.00 0.00 O ATOM 0 H SER A 51 5.265 0.934 -7.580 1.00 0.00 H new ATOM 0 HA SER A 51 8.057 0.309 -8.383 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.050 2.028 -10.083 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.635 1.044 -10.401 1.00 0.00 H new ATOM 0 HG SER A 51 5.468 2.714 -9.031 1.00 0.00 H new ATOM 414 N TYR A 52 9.004 2.383 -7.200 1.00 0.00 N ATOM 415 CA TYR A 52 9.538 3.492 -6.345 1.00 0.00 C ATOM 416 C TYR A 52 8.906 4.911 -6.649 1.00 0.00 C ATOM 417 O TYR A 52 8.670 5.694 -5.726 1.00 0.00 O ATOM 418 CB TYR A 52 11.095 3.500 -6.473 1.00 0.00 C ATOM 419 CG TYR A 52 11.835 4.058 -5.237 1.00 0.00 C ATOM 420 CD1 TYR A 52 11.868 5.432 -4.969 1.00 0.00 C ATOM 421 CD2 TYR A 52 12.510 3.179 -4.382 1.00 0.00 C ATOM 422 CE1 TYR A 52 12.546 5.911 -3.848 1.00 0.00 C ATOM 423 CE2 TYR A 52 13.196 3.663 -3.271 1.00 0.00 C ATOM 424 CZ TYR A 52 13.206 5.027 -3.001 1.00 0.00 C ATOM 425 OH TYR A 52 13.875 5.497 -1.904 1.00 0.00 O ATOM 0 H TYR A 52 9.711 1.912 -7.764 1.00 0.00 H new ATOM 0 HA TYR A 52 9.244 3.295 -5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.437 2.482 -6.657 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.372 4.092 -7.345 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.367 6.122 -5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.499 2.118 -4.585 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.558 6.970 -3.637 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.720 2.979 -2.619 1.00 0.00 H new ATOM 0 HH TYR A 52 14.279 4.746 -1.421 1.00 0.00 H new ATOM 426 N ARG A 53 8.597 5.213 -7.933 1.00 0.00 N ATOM 427 CA ARG A 53 7.826 6.437 -8.319 1.00 0.00 C ATOM 428 C ARG A 53 6.430 6.609 -7.601 1.00 0.00 C ATOM 429 O ARG A 53 6.092 7.723 -7.187 1.00 0.00 O ATOM 430 CB ARG A 53 7.677 6.399 -9.873 1.00 0.00 C ATOM 431 CG ARG A 53 7.169 7.711 -10.535 1.00 0.00 C ATOM 432 CD ARG A 53 8.222 8.845 -10.627 1.00 0.00 C ATOM 433 NE ARG A 53 9.301 8.554 -11.625 1.00 0.00 N ATOM 434 CZ ARG A 53 9.223 8.843 -12.933 1.00 0.00 C ATOM 435 NH1 ARG A 53 8.159 9.376 -13.487 1.00 0.00 N ATOM 436 NH2 ARG A 53 10.249 8.580 -13.690 1.00 0.00 N ATOM 0 H ARG A 53 8.867 4.630 -8.725 1.00 0.00 H new ATOM 0 HA ARG A 53 8.381 7.312 -7.981 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.645 6.147 -10.306 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.991 5.593 -10.134 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.816 7.481 -11.540 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.311 8.077 -9.971 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.724 9.776 -10.898 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.672 8.998 -9.646 1.00 0.00 H new ATOM 0 HE ARG A 53 10.153 8.106 -11.287 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.340 9.590 -12.917 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.151 9.576 -14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.088 8.163 -13.286 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.214 8.790 -14.687 1.00 0.00 H new ATOM 437 N ASP A 54 5.645 5.516 -7.447 1.00 0.00 N ATOM 438 CA ASP A 54 4.348 5.556 -6.697 1.00 0.00 C ATOM 439 C ASP A 54 4.522 5.906 -5.175 1.00 0.00 C ATOM 440 O ASP A 54 3.935 6.878 -4.694 1.00 0.00 O ATOM 441 CB ASP A 54 3.598 4.198 -6.854 1.00 0.00 C ATOM 442 CG ASP A 54 3.209 3.813 -8.280 1.00 0.00 C ATOM 443 OD1 ASP A 54 2.215 4.601 -8.775 1.00 0.00 O ATOM 444 OD2 ASP A 54 3.734 2.889 -8.898 1.00 0.00 O ATOM 0 H ASP A 54 5.877 4.598 -7.826 1.00 0.00 H new ATOM 0 HA ASP A 54 3.758 6.361 -7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.227 3.408 -6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.693 4.232 -6.248 1.00 0.00 H new ATOM 445 N CYS A 55 5.343 5.128 -4.436 1.00 0.00 N ATOM 446 CA CYS A 55 5.612 5.395 -2.992 1.00 0.00 C ATOM 447 C CYS A 55 6.333 6.747 -2.662 1.00 0.00 C ATOM 448 O CYS A 55 6.003 7.394 -1.662 1.00 0.00 O ATOM 449 CB CYS A 55 6.417 4.191 -2.471 1.00 0.00 C ATOM 450 SG CYS A 55 8.037 4.160 -3.256 1.00 0.00 S ATOM 0 H CYS A 55 5.832 4.313 -4.806 1.00 0.00 H new ATOM 0 HA CYS A 55 4.651 5.513 -2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.528 4.256 -1.389 1.00 0.00 H new ATOM 0 HB3 CYS A 55 5.882 3.265 -2.682 1.00 0.00 H new ATOM 451 N PHE A 56 7.303 7.182 -3.495 1.00 0.00 N ATOM 452 CA PHE A 56 7.998 8.476 -3.275 1.00 0.00 C ATOM 453 C PHE A 56 7.073 9.731 -3.482 1.00 0.00 C ATOM 454 O PHE A 56 7.062 10.621 -2.629 1.00 0.00 O ATOM 455 CB PHE A 56 9.282 8.495 -4.150 1.00 0.00 C ATOM 456 CG PHE A 56 10.290 9.574 -3.725 1.00 0.00 C ATOM 457 CD1 PHE A 56 11.199 9.313 -2.694 1.00 0.00 C ATOM 458 CD2 PHE A 56 10.301 10.824 -4.353 1.00 0.00 C ATOM 459 CE1 PHE A 56 12.114 10.287 -2.303 1.00 0.00 C ATOM 460 CE2 PHE A 56 11.212 11.799 -3.954 1.00 0.00 C ATOM 461 CZ PHE A 56 12.119 11.530 -2.931 1.00 0.00 C ATOM 0 H PHE A 56 7.622 6.667 -4.316 1.00 0.00 H new ATOM 0 HA PHE A 56 8.284 8.552 -2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.763 7.518 -4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.002 8.659 -5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.191 8.353 -2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.602 11.033 -5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.820 10.079 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.215 12.764 -4.438 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.827 12.286 -2.625 1.00 0.00 H new ATOM 462 N ASN A 57 6.292 9.788 -4.581 1.00 0.00 N ATOM 463 CA ASN A 57 5.342 10.921 -4.820 1.00 0.00 C ATOM 464 C ASN A 57 4.064 10.882 -3.908 1.00 0.00 C ATOM 465 O ASN A 57 3.729 11.899 -3.296 1.00 0.00 O ATOM 466 CB ASN A 57 4.959 10.973 -6.327 1.00 0.00 C ATOM 467 CG ASN A 57 6.102 11.432 -7.242 1.00 0.00 C ATOM 468 OD1 ASN A 57 6.376 12.617 -7.387 1.00 0.00 O ATOM 469 ND2 ASN A 57 6.796 10.518 -7.872 1.00 0.00 N ATOM 0 H ASN A 57 6.291 9.079 -5.314 1.00 0.00 H new ATOM 0 HA ASN A 57 5.863 11.837 -4.540 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.629 9.983 -6.643 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.112 11.647 -6.454 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.565 10.793 -8.483 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.568 9.531 -7.751 1.00 0.00 H new ATOM 470 N ALA A 58 3.352 9.737 -3.811 1.00 0.00 N ATOM 471 CA ALA A 58 2.120 9.650 -2.967 1.00 0.00 C ATOM 472 C ALA A 58 2.326 9.560 -1.405 1.00 0.00 C ATOM 473 O ALA A 58 1.357 9.752 -0.657 1.00 0.00 O ATOM 474 CB ALA A 58 1.313 8.448 -3.491 1.00 0.00 C ATOM 0 H ALA A 58 3.596 8.872 -4.293 1.00 0.00 H new ATOM 0 HA ALA A 58 1.596 10.600 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.400 8.340 -2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.056 8.611 -4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.911 7.541 -3.401 1.00 0.00 H new ATOM 475 N CYS A 59 3.550 9.267 -0.909 1.00 0.00 N ATOM 476 CA CYS A 59 3.835 9.239 0.556 1.00 0.00 C ATOM 477 C CYS A 59 5.079 10.092 0.983 1.00 0.00 C ATOM 478 O CYS A 59 4.975 10.859 1.944 1.00 0.00 O ATOM 479 CB CYS A 59 3.931 7.773 1.031 1.00 0.00 C ATOM 480 SG CYS A 59 2.396 6.907 0.654 1.00 0.00 S ATOM 0 H CYS A 59 4.357 9.047 -1.493 1.00 0.00 H new ATOM 0 HA CYS A 59 3.000 9.725 1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.769 7.277 0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.124 7.740 2.103 1.00 0.00 H new ATOM 481 N ILE A 60 6.250 9.975 0.317 1.00 0.00 N ATOM 482 CA ILE A 60 7.477 10.719 0.763 1.00 0.00 C ATOM 483 C ILE A 60 7.404 12.230 0.368 1.00 0.00 C ATOM 484 O ILE A 60 7.494 13.132 1.201 1.00 0.00 O ATOM 485 CB ILE A 60 8.805 10.014 0.293 1.00 0.00 C ATOM 486 CG1 ILE A 60 8.898 8.497 0.670 1.00 0.00 C ATOM 487 CG2 ILE A 60 10.076 10.748 0.799 1.00 0.00 C ATOM 488 CD1 ILE A 60 8.814 8.173 2.175 1.00 0.00 C ATOM 489 OXT ILE A 60 7.246 12.449 -0.978 1.00 0.00 O ATOM 0 H ILE A 60 6.383 9.393 -0.510 1.00 0.00 H new ATOM 0 HA ILE A 60 7.503 10.688 1.852 1.00 0.00 H new ATOM 0 HB ILE A 60 8.761 10.075 -0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.096 7.965 0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.839 8.103 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.964 10.222 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.083 11.769 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.074 10.769 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.889 7.095 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.631 8.667 2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.862 8.527 2.571 1.00 0.00 H new TER 490 ILE A 60