USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 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 Set 1.1: A 2 ASN : amide:sc= 0.413 K(o=0.79,f=-0.49) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0.381 USER MOD Set 2.1: A 28 ASN : amide:sc= 1.68 K(o=2.9,f=-3.4) USER MOD Set 2.2: A 30 LYS NZ :NH3+ 171:sc= 1.18 (180deg=0) USER MOD Single : A 1 TYR N :NH3+ -126:sc= 0.0721 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0.278 USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= 1.24 (180deg=0.901) 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= 0.288 USER MOD Single : A 35 SER OG : rot 39:sc= 1.07 USER MOD Single : A 43 HIS : no HE2:sc= -0.16 K(o=-0.16,f=-0.74) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.085 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -124:sc= 1.24 USER MOD Single : A 51 SER OG : rot -124:sc= 1.77 USER MOD Single : A 52 TYR OH : rot 40:sc= -0.0259 USER MOD Single : A 57 ASN : amide:sc= 1.07 K(o=1.1,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -1.318 12.451 3.571 1.00 0.00 N ATOM 2 CA TYR A 1 -0.780 11.490 2.564 1.00 0.00 C ATOM 3 C TYR A 1 -1.560 10.121 2.564 1.00 0.00 C ATOM 4 O TYR A 1 -2.452 9.900 3.391 1.00 0.00 O ATOM 5 CB TYR A 1 0.766 11.397 2.739 1.00 0.00 C ATOM 6 CG TYR A 1 1.328 10.838 4.069 1.00 0.00 C ATOM 7 CD1 TYR A 1 1.359 9.459 4.309 1.00 0.00 C ATOM 8 CD2 TYR A 1 1.931 11.707 4.986 1.00 0.00 C ATOM 9 CE1 TYR A 1 1.996 8.960 5.443 1.00 0.00 C ATOM 10 CE2 TYR A 1 2.560 11.202 6.123 1.00 0.00 C ATOM 11 CZ TYR A 1 2.597 9.830 6.346 1.00 0.00 C ATOM 12 OH TYR A 1 3.243 9.334 7.448 1.00 0.00 O ATOM 0 H1 TYR A 1 -1.552 13.350 3.103 1.00 0.00 H new ATOM 0 H2 TYR A 1 -2.175 12.054 4.006 1.00 0.00 H new ATOM 0 H3 TYR A 1 -0.602 12.620 4.307 1.00 0.00 H new ATOM 0 HA TYR A 1 -0.955 11.856 1.552 1.00 0.00 H new ATOM 0 HB2 TYR A 1 1.154 10.779 1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 1 1.176 12.398 2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 1 0.888 8.780 3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 1 1.909 12.773 4.812 1.00 0.00 H new ATOM 0 HE1 TYR A 1 2.023 7.895 5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 1 3.019 11.877 6.831 1.00 0.00 H new ATOM 0 HH TYR A 1 3.608 10.076 7.975 1.00 0.00 H new ATOM 13 N ASN A 2 -1.257 9.223 1.600 1.00 0.00 N ATOM 14 CA ASN A 2 -2.090 7.997 1.372 1.00 0.00 C ATOM 15 C ASN A 2 -1.926 6.926 2.507 1.00 0.00 C ATOM 16 O ASN A 2 -0.813 6.608 2.935 1.00 0.00 O ATOM 17 CB ASN A 2 -1.734 7.379 -0.014 1.00 0.00 C ATOM 18 CG ASN A 2 -2.194 8.194 -1.239 1.00 0.00 C ATOM 19 OD1 ASN A 2 -2.355 9.410 -1.209 1.00 0.00 O ATOM 20 ND2 ASN A 2 -2.403 7.541 -2.357 1.00 0.00 N ATOM 0 H ASN A 2 -0.458 9.311 0.972 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.136 8.305 1.388 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.653 7.251 -0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.176 6.384 -0.074 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.697 8.044 -3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.271 6.530 -2.389 1.00 0.00 H new ATOM 21 N ARG A 3 -3.060 6.366 2.975 1.00 0.00 N ATOM 22 CA ARG A 3 -3.057 5.435 4.152 1.00 0.00 C ATOM 23 C ARG A 3 -2.526 3.979 3.883 1.00 0.00 C ATOM 24 O ARG A 3 -1.915 3.389 4.778 1.00 0.00 O ATOM 25 CB ARG A 3 -4.482 5.402 4.783 1.00 0.00 C ATOM 26 CG ARG A 3 -4.883 6.719 5.510 1.00 0.00 C ATOM 27 CD ARG A 3 -6.235 6.639 6.255 1.00 0.00 C ATOM 28 NE ARG A 3 -7.386 6.644 5.302 1.00 0.00 N ATOM 29 CZ ARG A 3 -8.669 6.557 5.678 1.00 0.00 C ATOM 30 NH1 ARG A 3 -9.041 6.441 6.931 1.00 0.00 N ATOM 31 NH2 ARG A 3 -9.591 6.588 4.758 1.00 0.00 N ATOM 0 H ARG A 3 -3.983 6.530 2.572 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.326 5.847 4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.211 5.195 3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.535 4.577 5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.102 6.981 6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.930 7.526 4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.266 5.732 6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.325 7.482 6.940 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.183 6.718 4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.339 6.414 7.671 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.032 6.378 7.165 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.329 6.677 3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.575 6.523 5.020 1.00 0.00 H new ATOM 32 N LEU A 4 -2.741 3.390 2.686 1.00 0.00 N ATOM 33 CA LEU A 4 -2.228 2.010 2.386 1.00 0.00 C ATOM 34 C LEU A 4 -0.664 1.920 2.179 1.00 0.00 C ATOM 35 O LEU A 4 -0.069 0.893 2.520 1.00 0.00 O ATOM 36 CB LEU A 4 -3.091 1.436 1.213 1.00 0.00 C ATOM 37 CG LEU A 4 -3.024 -0.093 0.888 1.00 0.00 C ATOM 38 CD1 LEU A 4 -1.827 -0.481 0.005 1.00 0.00 C ATOM 39 CD2 LEU A 4 -3.070 -1.002 2.132 1.00 0.00 C ATOM 0 H LEU A 4 -3.253 3.826 1.919 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.353 1.373 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.132 1.681 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.813 1.976 0.308 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.937 -0.268 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.844 -1.555 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.887 0.051 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.900 -0.215 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.019 -2.046 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.224 -0.774 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.000 -0.830 2.674 1.00 0.00 H new ATOM 40 N CYS A 5 0.016 2.988 1.689 1.00 0.00 N ATOM 41 CA CYS A 5 1.506 2.976 1.533 1.00 0.00 C ATOM 42 C CYS A 5 2.393 3.013 2.851 1.00 0.00 C ATOM 43 O CYS A 5 3.625 3.073 2.755 1.00 0.00 O ATOM 44 CB CYS A 5 1.878 4.097 0.533 1.00 0.00 C ATOM 45 SG CYS A 5 1.330 5.721 1.089 1.00 0.00 S ATOM 0 H CYS A 5 -0.429 3.858 1.397 1.00 0.00 H new ATOM 0 HA CYS A 5 1.763 1.986 1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 5 2.959 4.110 0.391 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.432 3.878 -0.437 1.00 0.00 H new ATOM 46 N ILE A 6 1.795 2.916 4.063 1.00 0.00 N ATOM 47 CA ILE A 6 2.574 2.738 5.341 1.00 0.00 C ATOM 48 C ILE A 6 2.835 1.218 5.685 1.00 0.00 C ATOM 49 O ILE A 6 3.941 0.896 6.133 1.00 0.00 O ATOM 50 CB ILE A 6 1.948 3.545 6.549 1.00 0.00 C ATOM 51 CG1 ILE A 6 1.744 5.070 6.259 1.00 0.00 C ATOM 52 CG2 ILE A 6 2.840 3.436 7.818 1.00 0.00 C ATOM 53 CD1 ILE A 6 0.351 5.413 5.714 1.00 0.00 C ATOM 0 H ILE A 6 0.785 2.956 4.196 1.00 0.00 H new ATOM 0 HA ILE A 6 3.556 3.177 5.166 1.00 0.00 H new ATOM 0 HB ILE A 6 0.971 3.087 6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.913 5.631 7.178 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.496 5.398 5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.385 4.000 8.632 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.932 2.390 8.109 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.829 3.842 7.604 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.284 6.486 5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.185 4.880 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.407 5.117 6.439 1.00 0.00 H new ATOM 54 N LYS A 7 1.847 0.301 5.485 1.00 0.00 N ATOM 55 CA LYS A 7 2.031 -1.181 5.684 1.00 0.00 C ATOM 56 C LYS A 7 2.057 -1.634 7.202 1.00 0.00 C ATOM 57 O LYS A 7 2.902 -1.140 7.958 1.00 0.00 O ATOM 58 CB LYS A 7 3.209 -1.730 4.814 1.00 0.00 C ATOM 59 CG LYS A 7 3.759 -3.153 5.094 1.00 0.00 C ATOM 60 CD LYS A 7 5.292 -3.199 5.341 1.00 0.00 C ATOM 61 CE LYS A 7 5.767 -2.862 6.774 1.00 0.00 C ATOM 62 NZ LYS A 7 5.542 -1.435 7.140 1.00 0.00 N ATOM 0 H LYS A 7 0.906 0.556 5.184 1.00 0.00 H new ATOM 0 HA LYS A 7 1.129 -1.664 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.888 -1.702 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.041 -1.032 4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.248 -3.564 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.518 -3.798 4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.649 -4.197 5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.771 -2.505 4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.243 -3.501 7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.829 -3.091 6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.183 -1.170 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.729 -0.831 6.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.557 -1.307 7.447 1.00 0.00 H new ATOM 63 N PRO A 8 1.208 -2.612 7.668 1.00 0.00 N ATOM 64 CA PRO A 8 1.239 -3.097 9.078 1.00 0.00 C ATOM 65 C PRO A 8 2.348 -4.183 9.361 1.00 0.00 C ATOM 66 O PRO A 8 3.188 -4.507 8.513 1.00 0.00 O ATOM 67 CB PRO A 8 -0.210 -3.631 9.207 1.00 0.00 C ATOM 68 CG PRO A 8 -0.553 -4.187 7.823 1.00 0.00 C ATOM 69 CD PRO A 8 0.129 -3.221 6.855 1.00 0.00 C ATOM 0 HA PRO A 8 1.511 -2.337 9.811 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.279 -4.405 9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.899 -2.837 9.495 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.182 -5.204 7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.631 -4.219 7.662 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.529 -3.742 5.985 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.567 -2.468 6.484 1.00 0.00 H new ATOM 70 N ARG A 9 2.341 -4.726 10.594 1.00 0.00 N ATOM 71 CA ARG A 9 3.315 -5.780 11.013 1.00 0.00 C ATOM 72 C ARG A 9 2.808 -7.245 10.734 1.00 0.00 C ATOM 73 O ARG A 9 3.524 -8.027 10.096 1.00 0.00 O ATOM 74 CB ARG A 9 3.685 -5.491 12.503 1.00 0.00 C ATOM 75 CG ARG A 9 4.644 -6.477 13.237 1.00 0.00 C ATOM 76 CD ARG A 9 6.036 -6.705 12.598 1.00 0.00 C ATOM 77 NE ARG A 9 5.913 -7.712 11.508 1.00 0.00 N ATOM 78 CZ ARG A 9 6.927 -8.290 10.874 1.00 0.00 C ATOM 79 NH1 ARG A 9 8.184 -8.052 11.158 1.00 0.00 N ATOM 80 NH2 ARG A 9 6.637 -9.129 9.927 1.00 0.00 N ATOM 0 H ARG A 9 1.678 -4.460 11.322 1.00 0.00 H new ATOM 0 HA ARG A 9 4.218 -5.731 10.404 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.134 -4.499 12.546 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.757 -5.446 13.072 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.793 -6.112 14.253 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.144 -7.442 13.315 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.426 -5.767 12.201 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.743 -7.051 13.352 1.00 0.00 H new ATOM 0 HE ARG A 9 4.971 -7.981 11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.424 -7.394 11.899 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.923 -8.525 10.638 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.662 -9.321 9.697 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.384 -9.596 9.413 1.00 0.00 H new ATOM 81 N ASP A 10 1.625 -7.641 11.237 1.00 0.00 N ATOM 82 CA ASP A 10 1.144 -9.056 11.128 1.00 0.00 C ATOM 83 C ASP A 10 0.397 -9.349 9.777 1.00 0.00 C ATOM 84 O ASP A 10 -0.834 -9.409 9.725 1.00 0.00 O ATOM 85 CB ASP A 10 0.314 -9.399 12.406 1.00 0.00 C ATOM 86 CG ASP A 10 -0.917 -8.517 12.688 1.00 0.00 C ATOM 87 OD1 ASP A 10 -0.847 -7.322 12.961 1.00 0.00 O ATOM 88 OD2 ASP A 10 -2.083 -9.215 12.607 1.00 0.00 O ATOM 0 H ASP A 10 0.980 -7.017 11.721 1.00 0.00 H new ATOM 0 HA ASP A 10 2.001 -9.729 11.089 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.019 -10.434 12.328 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.978 -9.342 13.269 1.00 0.00 H new ATOM 89 N TRP A 11 1.160 -9.531 8.674 1.00 0.00 N ATOM 90 CA TRP A 11 0.538 -9.683 7.312 1.00 0.00 C ATOM 91 C TRP A 11 1.290 -10.606 6.266 1.00 0.00 C ATOM 92 O TRP A 11 0.851 -10.669 5.118 1.00 0.00 O ATOM 93 CB TRP A 11 0.254 -8.249 6.741 1.00 0.00 C ATOM 94 CG TRP A 11 1.454 -7.533 6.079 1.00 0.00 C ATOM 95 CD1 TRP A 11 2.687 -7.195 6.683 1.00 0.00 C ATOM 96 CD2 TRP A 11 1.579 -7.171 4.757 1.00 0.00 C ATOM 97 NE1 TRP A 11 3.593 -6.657 5.738 1.00 0.00 N ATOM 98 CE2 TRP A 11 2.871 -6.663 4.554 1.00 0.00 C ATOM 99 CE3 TRP A 11 0.645 -7.226 3.693 1.00 0.00 C ATOM 100 CZ2 TRP A 11 3.267 -6.206 3.280 1.00 0.00 C ATOM 101 CZ3 TRP A 11 1.037 -6.738 2.446 1.00 0.00 C ATOM 102 CH2 TRP A 11 2.330 -6.229 2.243 1.00 0.00 C ATOM 0 H TRP A 11 2.179 -9.577 8.683 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.382 -10.246 7.467 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.549 -8.324 6.007 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.114 -7.622 7.553 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.909 -7.330 7.731 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.550 -6.340 5.891 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.343 -7.635 3.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.271 -5.847 3.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.336 -6.752 1.625 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.605 -5.849 1.270 1.00 0.00 H new ATOM 103 N ILE A 12 2.405 -11.288 6.633 1.00 0.00 N ATOM 104 CA ILE A 12 3.295 -12.020 5.651 1.00 0.00 C ATOM 105 C ILE A 12 4.124 -10.966 4.817 1.00 0.00 C ATOM 106 O ILE A 12 3.667 -10.465 3.785 1.00 0.00 O ATOM 107 CB ILE A 12 2.591 -13.119 4.751 1.00 0.00 C ATOM 108 CG1 ILE A 12 1.716 -14.127 5.563 1.00 0.00 C ATOM 109 CG2 ILE A 12 3.641 -13.922 3.930 1.00 0.00 C ATOM 110 CD1 ILE A 12 0.679 -14.876 4.702 1.00 0.00 C ATOM 0 H ILE A 12 2.723 -11.355 7.600 1.00 0.00 H new ATOM 0 HA ILE A 12 3.972 -12.631 6.248 1.00 0.00 H new ATOM 0 HB ILE A 12 1.928 -12.564 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.368 -14.854 6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.197 -13.588 6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.132 -14.669 3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.194 -13.242 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.333 -14.418 4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.108 -15.558 5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.003 -14.157 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.192 -15.443 3.925 1.00 0.00 H new ATOM 111 N ASP A 13 5.339 -10.619 5.297 1.00 0.00 N ATOM 112 CA ASP A 13 6.128 -9.488 4.703 1.00 0.00 C ATOM 113 C ASP A 13 7.239 -9.860 3.648 1.00 0.00 C ATOM 114 O ASP A 13 7.614 -8.997 2.848 1.00 0.00 O ATOM 115 CB ASP A 13 6.698 -8.626 5.873 1.00 0.00 C ATOM 116 CG ASP A 13 7.913 -9.213 6.611 1.00 0.00 C ATOM 117 OD1 ASP A 13 7.830 -10.058 7.497 1.00 0.00 O ATOM 118 OD2 ASP A 13 9.089 -8.698 6.152 1.00 0.00 O ATOM 0 H ASP A 13 5.798 -11.088 6.078 1.00 0.00 H new ATOM 0 HA ASP A 13 5.426 -8.924 4.089 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.975 -7.649 5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.901 -8.461 6.599 1.00 0.00 H new ATOM 119 N GLU A 14 7.824 -11.079 3.706 1.00 0.00 N ATOM 120 CA GLU A 14 9.083 -11.389 2.956 1.00 0.00 C ATOM 121 C GLU A 14 9.099 -12.850 2.384 1.00 0.00 C ATOM 122 O GLU A 14 9.776 -13.749 2.891 1.00 0.00 O ATOM 123 CB GLU A 14 10.320 -11.025 3.842 1.00 0.00 C ATOM 124 CG GLU A 14 10.456 -11.789 5.193 1.00 0.00 C ATOM 125 CD GLU A 14 11.432 -11.118 6.154 1.00 0.00 C ATOM 126 OE1 GLU A 14 11.137 -10.144 6.845 1.00 0.00 O ATOM 127 OE2 GLU A 14 12.655 -11.720 6.158 1.00 0.00 O ATOM 0 H GLU A 14 7.458 -11.859 4.253 1.00 0.00 H new ATOM 0 HA GLU A 14 9.133 -10.765 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.223 -11.203 3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.284 -9.957 4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.477 -11.859 5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.789 -12.808 4.997 1.00 0.00 H new ATOM 128 N CYS A 15 8.372 -13.052 1.273 1.00 0.00 N ATOM 129 CA CYS A 15 8.415 -14.332 0.508 1.00 0.00 C ATOM 130 C CYS A 15 9.630 -14.461 -0.475 1.00 0.00 C ATOM 131 O CYS A 15 10.233 -15.531 -0.566 1.00 0.00 O ATOM 132 CB CYS A 15 7.062 -14.465 -0.220 1.00 0.00 C ATOM 133 SG CYS A 15 5.753 -14.593 1.012 1.00 0.00 S ATOM 0 H CYS A 15 7.745 -12.353 0.876 1.00 0.00 H new ATOM 0 HA CYS A 15 8.572 -15.154 1.207 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.892 -13.601 -0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.064 -15.345 -0.863 1.00 0.00 H new ATOM 134 N ASP A 16 9.982 -13.373 -1.197 1.00 0.00 N ATOM 135 CA ASP A 16 11.146 -13.337 -2.143 1.00 0.00 C ATOM 136 C ASP A 16 10.823 -14.008 -3.531 1.00 0.00 C ATOM 137 O ASP A 16 9.748 -14.580 -3.746 1.00 0.00 O ATOM 138 CB ASP A 16 12.505 -13.764 -1.487 1.00 0.00 C ATOM 139 CG ASP A 16 12.894 -12.916 -0.269 1.00 0.00 C ATOM 140 OD1 ASP A 16 12.921 -11.688 -0.274 1.00 0.00 O ATOM 141 OD2 ASP A 16 13.201 -13.680 0.814 1.00 0.00 O ATOM 0 H ASP A 16 9.474 -12.490 -1.148 1.00 0.00 H new ATOM 0 HA ASP A 16 11.312 -12.288 -2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.440 -14.809 -1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.296 -13.696 -2.234 1.00 0.00 H new ATOM 142 N SER A 17 11.751 -13.863 -4.499 1.00 0.00 N ATOM 143 CA SER A 17 11.505 -14.240 -5.928 1.00 0.00 C ATOM 144 C SER A 17 11.009 -15.701 -6.205 1.00 0.00 C ATOM 145 O SER A 17 9.956 -15.881 -6.822 1.00 0.00 O ATOM 146 CB SER A 17 12.784 -13.893 -6.738 1.00 0.00 C ATOM 147 OG SER A 17 13.910 -14.658 -6.292 1.00 0.00 O ATOM 0 H SER A 17 12.684 -13.487 -4.328 1.00 0.00 H new ATOM 0 HA SER A 17 10.646 -13.655 -6.255 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.609 -14.084 -7.797 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.002 -12.830 -6.638 1.00 0.00 H new ATOM 0 HG SER A 17 14.699 -14.418 -6.822 1.00 0.00 H new ATOM 148 N ASN A 18 11.750 -16.727 -5.740 1.00 0.00 N ATOM 149 CA ASN A 18 11.365 -18.158 -5.973 1.00 0.00 C ATOM 150 C ASN A 18 10.055 -18.634 -5.244 1.00 0.00 C ATOM 151 O ASN A 18 9.333 -19.474 -5.787 1.00 0.00 O ATOM 152 CB ASN A 18 12.561 -19.080 -5.593 1.00 0.00 C ATOM 153 CG ASN A 18 13.801 -18.912 -6.485 1.00 0.00 C ATOM 154 OD1 ASN A 18 14.685 -18.108 -6.214 1.00 0.00 O ATOM 155 ND2 ASN A 18 13.892 -19.655 -7.563 1.00 0.00 N ATOM 0 H ASN A 18 12.611 -16.607 -5.206 1.00 0.00 H new ATOM 0 HA ASN A 18 11.129 -18.231 -7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.843 -18.881 -4.559 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.233 -20.118 -5.640 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.700 -19.564 -8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.154 -20.323 -7.786 1.00 0.00 H new ATOM 156 N GLU A 19 9.751 -18.116 -4.036 1.00 0.00 N ATOM 157 CA GLU A 19 8.484 -18.463 -3.323 1.00 0.00 C ATOM 158 C GLU A 19 7.233 -17.659 -3.832 1.00 0.00 C ATOM 159 O GLU A 19 6.177 -18.259 -4.058 1.00 0.00 O ATOM 160 CB GLU A 19 8.740 -18.279 -1.804 1.00 0.00 C ATOM 161 CG GLU A 19 7.642 -18.886 -0.897 1.00 0.00 C ATOM 162 CD GLU A 19 7.981 -18.753 0.586 1.00 0.00 C ATOM 163 OE1 GLU A 19 8.650 -19.573 1.206 1.00 0.00 O ATOM 164 OE2 GLU A 19 7.458 -17.625 1.140 1.00 0.00 O ATOM 0 H GLU A 19 10.351 -17.463 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 19 8.223 -19.499 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.697 -18.734 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.826 -17.214 -1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.692 -18.390 -1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.510 -19.939 -1.145 1.00 0.00 H new ATOM 165 N GLY A 20 7.328 -16.321 -3.988 1.00 0.00 N ATOM 166 CA GLY A 20 6.174 -15.524 -4.473 1.00 0.00 C ATOM 167 C GLY A 20 6.491 -14.022 -4.554 1.00 0.00 C ATOM 168 O GLY A 20 6.188 -13.266 -3.626 1.00 0.00 O ATOM 0 H GLY A 20 8.169 -15.778 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.876 -15.883 -5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.325 -15.678 -3.808 1.00 0.00 H new ATOM 169 N GLY A 21 7.107 -13.589 -5.668 1.00 0.00 N ATOM 170 CA GLY A 21 7.723 -12.236 -5.724 1.00 0.00 C ATOM 171 C GLY A 21 6.812 -11.056 -6.129 1.00 0.00 C ATOM 172 O GLY A 21 6.987 -10.467 -7.197 1.00 0.00 O ATOM 0 H GLY A 21 7.195 -14.134 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.142 -12.016 -4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.556 -12.274 -6.425 1.00 0.00 H new ATOM 173 N GLU A 22 5.909 -10.652 -5.222 1.00 0.00 N ATOM 174 CA GLU A 22 5.163 -9.367 -5.367 1.00 0.00 C ATOM 175 C GLU A 22 5.971 -8.220 -4.671 1.00 0.00 C ATOM 176 O GLU A 22 5.915 -8.069 -3.447 1.00 0.00 O ATOM 177 CB GLU A 22 3.740 -9.573 -4.766 1.00 0.00 C ATOM 178 CG GLU A 22 2.866 -8.293 -4.625 1.00 0.00 C ATOM 179 CD GLU A 22 2.410 -7.620 -5.918 1.00 0.00 C ATOM 180 OE1 GLU A 22 3.432 -7.011 -6.582 1.00 0.00 O ATOM 181 OE2 GLU A 22 1.240 -7.590 -6.285 1.00 0.00 O ATOM 0 H GLU A 22 5.671 -11.182 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 22 5.048 -9.074 -6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.204 -10.288 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.846 -10.027 -3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.979 -8.550 -4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.427 -7.562 -4.042 1.00 0.00 H new ATOM 182 N ARG A 23 6.709 -7.412 -5.458 1.00 0.00 N ATOM 183 CA ARG A 23 7.545 -6.311 -4.887 1.00 0.00 C ATOM 184 C ARG A 23 6.687 -5.032 -4.615 1.00 0.00 C ATOM 185 O ARG A 23 6.341 -4.283 -5.533 1.00 0.00 O ATOM 186 CB ARG A 23 8.728 -5.983 -5.840 1.00 0.00 C ATOM 187 CG ARG A 23 9.773 -7.121 -5.968 1.00 0.00 C ATOM 188 CD ARG A 23 11.018 -6.733 -6.794 1.00 0.00 C ATOM 189 NE ARG A 23 11.919 -5.829 -6.008 1.00 0.00 N ATOM 190 CZ ARG A 23 12.131 -4.535 -6.280 1.00 0.00 C ATOM 191 NH1 ARG A 23 11.619 -3.920 -7.317 1.00 0.00 N ATOM 192 NH2 ARG A 23 12.874 -3.844 -5.471 1.00 0.00 N ATOM 0 H ARG A 23 6.751 -7.490 -6.474 1.00 0.00 H new ATOM 0 HA ARG A 23 7.947 -6.651 -3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.331 -5.756 -6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.229 -5.083 -5.483 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.090 -7.424 -4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.298 -7.987 -6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.561 -7.632 -7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.709 -6.236 -7.714 1.00 0.00 H new ATOM 0 HE ARG A 23 12.407 -6.229 -5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.023 -4.430 -7.969 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.816 -2.931 -7.472 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.282 -4.288 -4.649 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.050 -2.857 -5.658 1.00 0.00 H new ATOM 193 N ALA A 24 6.362 -4.800 -3.334 1.00 0.00 N ATOM 194 CA ALA A 24 5.471 -3.686 -2.927 1.00 0.00 C ATOM 195 C ALA A 24 6.257 -2.632 -2.084 1.00 0.00 C ATOM 196 O ALA A 24 6.832 -2.940 -1.035 1.00 0.00 O ATOM 197 CB ALA A 24 4.335 -4.343 -2.135 1.00 0.00 C ATOM 0 H ALA A 24 6.700 -5.366 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 24 5.075 -3.135 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.635 -3.578 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.814 -5.058 -2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.747 -4.861 -1.269 1.00 0.00 H new ATOM 198 N TYR A 25 6.304 -1.383 -2.574 1.00 0.00 N ATOM 199 CA TYR A 25 7.155 -0.321 -1.968 1.00 0.00 C ATOM 200 C TYR A 25 6.383 0.466 -0.860 1.00 0.00 C ATOM 201 O TYR A 25 5.288 0.991 -1.090 1.00 0.00 O ATOM 202 CB TYR A 25 7.652 0.625 -3.098 1.00 0.00 C ATOM 203 CG TYR A 25 8.852 0.101 -3.915 1.00 0.00 C ATOM 204 CD1 TYR A 25 8.667 -0.861 -4.914 1.00 0.00 C ATOM 205 CD2 TYR A 25 10.126 0.643 -3.714 1.00 0.00 C ATOM 206 CE1 TYR A 25 9.736 -1.254 -5.717 1.00 0.00 C ATOM 207 CE2 TYR A 25 11.192 0.251 -4.521 1.00 0.00 C ATOM 208 CZ TYR A 25 10.995 -0.689 -5.528 1.00 0.00 C ATOM 209 OH TYR A 25 12.043 -1.050 -6.336 1.00 0.00 O ATOM 0 H TYR A 25 5.768 -1.075 -3.385 1.00 0.00 H new ATOM 0 HA TYR A 25 8.014 -0.781 -1.479 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.824 0.815 -3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.926 1.582 -2.654 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.692 -1.301 -5.063 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.284 1.369 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.588 -1.997 -6.486 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.172 0.677 -4.365 1.00 0.00 H new ATOM 0 HH TYR A 25 12.848 -0.560 -6.067 1.00 0.00 H new ATOM 210 N PHE A 26 6.979 0.544 0.348 1.00 0.00 N ATOM 211 CA PHE A 26 6.287 1.146 1.532 1.00 0.00 C ATOM 212 C PHE A 26 7.247 2.089 2.328 1.00 0.00 C ATOM 213 O PHE A 26 8.445 1.816 2.471 1.00 0.00 O ATOM 214 CB PHE A 26 5.758 0.016 2.464 1.00 0.00 C ATOM 215 CG PHE A 26 4.721 -0.933 1.828 1.00 0.00 C ATOM 216 CD1 PHE A 26 3.462 -0.459 1.448 1.00 0.00 C ATOM 217 CD2 PHE A 26 5.020 -2.288 1.661 1.00 0.00 C ATOM 218 CE1 PHE A 26 2.510 -1.330 0.924 1.00 0.00 C ATOM 219 CE2 PHE A 26 4.069 -3.158 1.143 1.00 0.00 C ATOM 220 CZ PHE A 26 2.814 -2.682 0.781 1.00 0.00 C ATOM 0 H PHE A 26 7.922 0.207 0.539 1.00 0.00 H new ATOM 0 HA PHE A 26 5.449 1.743 1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.606 -0.577 2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.313 0.475 3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.226 0.589 1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.996 -2.661 1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.540 -0.959 0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.305 -4.205 1.021 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.073 -3.362 0.388 1.00 0.00 H new ATOM 221 N ARG A 27 6.708 3.201 2.871 1.00 0.00 N ATOM 222 CA ARG A 27 7.549 4.218 3.578 1.00 0.00 C ATOM 223 C ARG A 27 8.114 3.753 4.965 1.00 0.00 C ATOM 224 O ARG A 27 7.360 3.340 5.855 1.00 0.00 O ATOM 225 CB ARG A 27 6.760 5.556 3.741 1.00 0.00 C ATOM 226 CG ARG A 27 5.439 5.494 4.572 1.00 0.00 C ATOM 227 CD ARG A 27 5.350 6.495 5.747 1.00 0.00 C ATOM 228 NE ARG A 27 6.038 5.925 6.944 1.00 0.00 N ATOM 229 CZ ARG A 27 5.683 6.169 8.212 1.00 0.00 C ATOM 230 NH1 ARG A 27 4.725 7.002 8.546 1.00 0.00 N ATOM 231 NH2 ARG A 27 6.322 5.556 9.165 1.00 0.00 N ATOM 0 H ARG A 27 5.713 3.425 2.840 1.00 0.00 H new ATOM 0 HA ARG A 27 8.421 4.365 2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.421 6.286 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.519 5.933 2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.598 5.671 3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.325 4.484 4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.811 7.442 5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.306 6.705 5.981 1.00 0.00 H new ATOM 0 HE ARG A 27 6.834 5.307 6.785 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.209 7.502 7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.497 7.149 9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.075 4.906 8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.070 5.725 10.139 1.00 0.00 H new ATOM 232 N ASN A 28 9.436 3.927 5.184 1.00 0.00 N ATOM 233 CA ASN A 28 10.012 3.805 6.563 1.00 0.00 C ATOM 234 C ASN A 28 9.607 5.001 7.502 1.00 0.00 C ATOM 235 O ASN A 28 8.972 4.768 8.535 1.00 0.00 O ATOM 236 CB ASN A 28 11.533 3.460 6.538 1.00 0.00 C ATOM 237 CG ASN A 28 12.496 4.454 5.862 1.00 0.00 C ATOM 238 OD1 ASN A 28 12.829 5.514 6.388 1.00 0.00 O ATOM 239 ND2 ASN A 28 13.009 4.114 4.707 1.00 0.00 N ATOM 0 H ASN A 28 10.115 4.146 4.455 1.00 0.00 H new ATOM 0 HA ASN A 28 9.547 2.940 7.036 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.861 3.328 7.569 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.647 2.496 6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.682 4.727 4.247 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.736 3.236 4.266 1.00 0.00 H new ATOM 240 N GLY A 29 9.903 6.262 7.127 1.00 0.00 N ATOM 241 CA GLY A 29 9.451 7.435 7.927 1.00 0.00 C ATOM 242 C GLY A 29 9.745 8.778 7.238 1.00 0.00 C ATOM 243 O GLY A 29 8.885 9.339 6.558 1.00 0.00 O ATOM 0 H GLY A 29 10.441 6.499 6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.380 7.353 8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.942 7.416 8.900 1.00 0.00 H new ATOM 244 N LYS A 30 10.973 9.284 7.430 1.00 0.00 N ATOM 245 CA LYS A 30 11.407 10.600 6.860 1.00 0.00 C ATOM 246 C LYS A 30 11.370 10.749 5.292 1.00 0.00 C ATOM 247 O LYS A 30 10.931 11.782 4.780 1.00 0.00 O ATOM 248 CB LYS A 30 12.803 10.974 7.470 1.00 0.00 C ATOM 249 CG LYS A 30 14.080 10.231 6.956 1.00 0.00 C ATOM 250 CD LYS A 30 14.154 8.728 7.320 1.00 0.00 C ATOM 251 CE LYS A 30 15.402 8.042 6.739 1.00 0.00 C ATOM 252 NZ LYS A 30 15.361 6.593 7.083 1.00 0.00 N ATOM 0 H LYS A 30 11.695 8.812 7.974 1.00 0.00 H new ATOM 0 HA LYS A 30 10.645 11.320 7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.957 12.041 7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.743 10.819 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.127 10.329 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.960 10.731 7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.156 8.620 8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.261 8.224 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.434 8.172 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.306 8.500 7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.115 6.093 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.502 6.475 8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.438 6.198 6.813 1.00 0.00 H new ATOM 253 N GLY A 31 11.856 9.743 4.545 1.00 0.00 N ATOM 254 CA GLY A 31 11.986 9.858 3.071 1.00 0.00 C ATOM 255 C GLY A 31 12.680 8.621 2.486 1.00 0.00 C ATOM 256 O GLY A 31 13.904 8.603 2.333 1.00 0.00 O ATOM 0 H GLY A 31 12.164 8.848 4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.999 9.973 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.556 10.753 2.821 1.00 0.00 H new ATOM 257 N GLY A 32 11.897 7.577 2.178 1.00 0.00 N ATOM 258 CA GLY A 32 12.483 6.301 1.700 1.00 0.00 C ATOM 259 C GLY A 32 11.434 5.183 1.584 1.00 0.00 C ATOM 260 O GLY A 32 10.853 4.752 2.586 1.00 0.00 O ATOM 0 H GLY A 32 10.879 7.581 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.950 6.460 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.271 5.987 2.385 1.00 0.00 H new ATOM 261 N CYS A 33 11.217 4.701 0.353 1.00 0.00 N ATOM 262 CA CYS A 33 10.299 3.562 0.101 1.00 0.00 C ATOM 263 C CYS A 33 11.073 2.206 -0.016 1.00 0.00 C ATOM 264 O CYS A 33 11.940 2.027 -0.879 1.00 0.00 O ATOM 265 CB CYS A 33 9.515 3.882 -1.179 1.00 0.00 C ATOM 266 SG CYS A 33 8.192 5.042 -0.821 1.00 0.00 S ATOM 0 H CYS A 33 11.659 5.075 -0.487 1.00 0.00 H new ATOM 0 HA CYS A 33 9.615 3.437 0.941 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.185 4.303 -1.929 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.101 2.966 -1.600 1.00 0.00 H new ATOM 267 N ASP A 34 10.724 1.249 0.860 1.00 0.00 N ATOM 268 CA ASP A 34 11.390 -0.088 0.904 1.00 0.00 C ATOM 269 C ASP A 34 10.501 -1.168 0.204 1.00 0.00 C ATOM 270 O ASP A 34 9.302 -1.276 0.484 1.00 0.00 O ATOM 271 CB ASP A 34 11.615 -0.484 2.390 1.00 0.00 C ATOM 272 CG ASP A 34 12.646 0.372 3.125 1.00 0.00 C ATOM 273 OD1 ASP A 34 13.904 -0.139 3.021 1.00 0.00 O ATOM 274 OD2 ASP A 34 12.369 1.398 3.741 1.00 0.00 O ATOM 0 H ASP A 34 9.985 1.365 1.553 1.00 0.00 H new ATOM 0 HA ASP A 34 12.343 -0.033 0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.664 -0.418 2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.931 -1.526 2.431 1.00 0.00 H new ATOM 275 N SER A 35 11.102 -1.987 -0.686 1.00 0.00 N ATOM 276 CA SER A 35 10.342 -3.040 -1.421 1.00 0.00 C ATOM 277 C SER A 35 10.139 -4.342 -0.577 1.00 0.00 C ATOM 278 O SER A 35 11.059 -5.160 -0.447 1.00 0.00 O ATOM 279 CB SER A 35 11.076 -3.355 -2.747 1.00 0.00 C ATOM 280 OG SER A 35 12.283 -4.093 -2.521 1.00 0.00 O ATOM 0 H SER A 35 12.095 -1.947 -0.916 1.00 0.00 H new ATOM 0 HA SER A 35 9.343 -2.654 -1.626 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.417 -3.926 -3.401 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.310 -2.424 -3.264 1.00 0.00 H new ATOM 0 HG SER A 35 12.139 -4.743 -1.802 1.00 0.00 H new ATOM 281 N PHE A 36 8.923 -4.537 -0.044 1.00 0.00 N ATOM 282 CA PHE A 36 8.570 -5.791 0.683 1.00 0.00 C ATOM 283 C PHE A 36 7.974 -6.839 -0.313 1.00 0.00 C ATOM 284 O PHE A 36 7.153 -6.522 -1.182 1.00 0.00 O ATOM 285 CB PHE A 36 7.571 -5.466 1.831 1.00 0.00 C ATOM 286 CG PHE A 36 8.225 -4.787 3.055 1.00 0.00 C ATOM 287 CD1 PHE A 36 8.412 -3.400 3.093 1.00 0.00 C ATOM 288 CD2 PHE A 36 8.641 -5.565 4.141 1.00 0.00 C ATOM 289 CE1 PHE A 36 8.986 -2.799 4.210 1.00 0.00 C ATOM 290 CE2 PHE A 36 9.220 -4.961 5.256 1.00 0.00 C ATOM 291 CZ PHE A 36 9.390 -3.579 5.290 1.00 0.00 C ATOM 0 H PHE A 36 8.166 -3.856 -0.096 1.00 0.00 H new ATOM 0 HA PHE A 36 9.468 -6.224 1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.786 -4.816 1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.090 -6.390 2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.110 -2.794 2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.513 -6.637 4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.118 -1.727 4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.537 -5.565 6.094 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.836 -3.112 6.156 1.00 0.00 H new ATOM 292 N TRP A 37 8.421 -8.097 -0.180 1.00 0.00 N ATOM 293 CA TRP A 37 8.070 -9.173 -1.150 1.00 0.00 C ATOM 294 C TRP A 37 6.879 -10.005 -0.556 1.00 0.00 C ATOM 295 O TRP A 37 7.076 -10.795 0.368 1.00 0.00 O ATOM 296 CB TRP A 37 9.329 -10.058 -1.403 1.00 0.00 C ATOM 297 CG TRP A 37 10.589 -9.357 -1.977 1.00 0.00 C ATOM 298 CD1 TRP A 37 11.496 -8.557 -1.237 1.00 0.00 C ATOM 299 CD2 TRP A 37 11.174 -9.512 -3.219 1.00 0.00 C ATOM 300 NE1 TRP A 37 12.624 -8.197 -2.014 1.00 0.00 N ATOM 301 CE2 TRP A 37 12.400 -8.826 -3.228 1.00 0.00 C ATOM 302 CE3 TRP A 37 10.768 -10.274 -4.339 1.00 0.00 C ATOM 303 CZ2 TRP A 37 13.258 -8.904 -4.347 1.00 0.00 C ATOM 304 CZ3 TRP A 37 11.616 -10.332 -5.449 1.00 0.00 C ATOM 305 CH2 TRP A 37 12.850 -9.662 -5.450 1.00 0.00 C ATOM 0 H TRP A 37 9.024 -8.404 0.583 1.00 0.00 H new ATOM 0 HA TRP A 37 7.756 -8.758 -2.108 1.00 0.00 H new ATOM 0 HB2 TRP A 37 9.605 -10.529 -0.460 1.00 0.00 H new ATOM 0 HB3 TRP A 37 9.047 -10.858 -2.088 1.00 0.00 H new ATOM 0 HD1 TRP A 37 11.346 -8.259 -0.210 1.00 0.00 H new ATOM 0 HE1 TRP A 37 13.415 -7.612 -1.744 1.00 0.00 H new ATOM 0 HE3 TRP A 37 9.824 -10.799 -4.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 14.208 -8.390 -4.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 11.318 -10.900 -6.318 1.00 0.00 H new ATOM 0 HH2 TRP A 37 13.493 -9.733 -6.315 1.00 0.00 H new ATOM 306 N ILE A 38 5.636 -9.793 -1.033 1.00 0.00 N ATOM 307 CA ILE A 38 4.423 -10.203 -0.230 1.00 0.00 C ATOM 308 C ILE A 38 4.159 -11.758 -0.166 1.00 0.00 C ATOM 309 O ILE A 38 3.992 -12.283 0.933 1.00 0.00 O ATOM 310 CB ILE A 38 3.106 -9.418 -0.645 1.00 0.00 C ATOM 311 CG1 ILE A 38 3.316 -7.876 -0.817 1.00 0.00 C ATOM 312 CG2 ILE A 38 1.981 -9.691 0.402 1.00 0.00 C ATOM 313 CD1 ILE A 38 2.058 -7.073 -1.216 1.00 0.00 C ATOM 0 H ILE A 38 5.429 -9.359 -1.932 1.00 0.00 H new ATOM 0 HA ILE A 38 4.685 -9.906 0.786 1.00 0.00 H new ATOM 0 HB ILE A 38 2.817 -9.795 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.701 -7.473 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.084 -7.714 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.078 -9.151 0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.769 -10.760 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.309 -9.353 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.314 -6.018 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.680 -7.439 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.291 -7.195 -0.451 1.00 0.00 H new ATOM 314 N CYS A 39 4.034 -12.430 -1.334 1.00 0.00 N ATOM 315 CA CYS A 39 3.258 -13.710 -1.518 1.00 0.00 C ATOM 316 C CYS A 39 1.928 -13.372 -2.308 1.00 0.00 C ATOM 317 O CYS A 39 1.163 -12.513 -1.849 1.00 0.00 O ATOM 318 CB CYS A 39 2.874 -14.597 -0.291 1.00 0.00 C ATOM 319 SG CYS A 39 4.231 -15.648 0.275 1.00 0.00 S ATOM 0 H CYS A 39 4.471 -12.105 -2.197 1.00 0.00 H new ATOM 0 HA CYS A 39 3.983 -14.337 -2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.554 -13.954 0.529 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.023 -15.224 -0.556 1.00 0.00 H new ATOM 320 N PRO A 40 1.582 -14.049 -3.456 1.00 0.00 N ATOM 321 CA PRO A 40 0.306 -13.807 -4.198 1.00 0.00 C ATOM 322 C PRO A 40 -1.050 -13.797 -3.408 1.00 0.00 C ATOM 323 O PRO A 40 -1.879 -12.910 -3.628 1.00 0.00 O ATOM 324 CB PRO A 40 0.352 -14.914 -5.276 1.00 0.00 C ATOM 325 CG PRO A 40 1.840 -15.155 -5.529 1.00 0.00 C ATOM 326 CD PRO A 40 2.495 -14.969 -4.162 1.00 0.00 C ATOM 0 HA PRO A 40 0.284 -12.777 -4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.142 -15.822 -4.931 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.158 -14.600 -6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.019 -16.156 -5.922 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.238 -14.450 -6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.594 -15.917 -3.634 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.496 -14.548 -4.252 1.00 0.00 H new ATOM 327 N GLU A 41 -1.271 -14.776 -2.509 1.00 0.00 N ATOM 328 CA GLU A 41 -2.586 -14.946 -1.808 1.00 0.00 C ATOM 329 C GLU A 41 -3.046 -13.815 -0.812 1.00 0.00 C ATOM 330 O GLU A 41 -4.252 -13.623 -0.640 1.00 0.00 O ATOM 331 CB GLU A 41 -2.657 -16.375 -1.170 1.00 0.00 C ATOM 332 CG GLU A 41 -1.494 -16.858 -0.248 1.00 0.00 C ATOM 333 CD GLU A 41 -1.339 -16.111 1.077 1.00 0.00 C ATOM 334 OE1 GLU A 41 -2.180 -16.120 1.969 1.00 0.00 O ATOM 335 OE2 GLU A 41 -0.152 -15.447 1.159 1.00 0.00 O ATOM 0 H GLU A 41 -0.567 -15.465 -2.243 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.330 -14.834 -2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.579 -16.430 -0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.749 -17.093 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.643 -17.916 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.559 -16.775 -0.802 1.00 0.00 H new ATOM 336 N ASP A 42 -2.123 -13.077 -0.164 1.00 0.00 N ATOM 337 CA ASP A 42 -2.507 -12.080 0.887 1.00 0.00 C ATOM 338 C ASP A 42 -3.068 -10.708 0.348 1.00 0.00 C ATOM 339 O ASP A 42 -3.929 -10.104 0.990 1.00 0.00 O ATOM 340 CB ASP A 42 -1.254 -11.880 1.785 1.00 0.00 C ATOM 341 CG ASP A 42 -1.512 -11.084 3.065 1.00 0.00 C ATOM 342 OD1 ASP A 42 -1.533 -9.858 3.110 1.00 0.00 O ATOM 343 OD2 ASP A 42 -1.707 -11.891 4.143 1.00 0.00 O ATOM 0 H ASP A 42 -1.120 -13.141 -0.337 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.354 -12.480 1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.856 -12.858 2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.484 -11.371 1.205 1.00 0.00 H new ATOM 344 N HIS A 43 -2.544 -10.190 -0.779 1.00 0.00 N ATOM 345 CA HIS A 43 -2.807 -8.773 -1.196 1.00 0.00 C ATOM 346 C HIS A 43 -4.052 -8.499 -2.125 1.00 0.00 C ATOM 347 O HIS A 43 -4.165 -7.385 -2.646 1.00 0.00 O ATOM 348 CB HIS A 43 -1.483 -8.229 -1.822 1.00 0.00 C ATOM 349 CG HIS A 43 -1.123 -8.760 -3.216 1.00 0.00 C ATOM 350 ND1 HIS A 43 -1.670 -8.235 -4.372 1.00 0.00 N ATOM 351 CD2 HIS A 43 -0.357 -9.905 -3.514 1.00 0.00 C ATOM 352 CE1 HIS A 43 -1.221 -9.145 -5.287 1.00 0.00 C ATOM 353 NE2 HIS A 43 -0.395 -10.153 -4.882 1.00 0.00 N ATOM 0 H HIS A 43 -1.943 -10.711 -1.418 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.103 -8.237 -0.294 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.551 -7.143 -1.877 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.662 -8.463 -1.144 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -2.246 -7.404 -4.504 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.179 -10.500 -2.789 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.517 -9.067 -6.323 1.00 0.00 H new ATOM 354 N THR A 44 -4.934 -9.493 -2.372 1.00 0.00 N ATOM 355 CA THR A 44 -6.056 -9.379 -3.371 1.00 0.00 C ATOM 356 C THR A 44 -5.616 -8.952 -4.837 1.00 0.00 C ATOM 357 O THR A 44 -4.427 -8.804 -5.149 1.00 0.00 O ATOM 358 CB THR A 44 -7.302 -8.632 -2.758 1.00 0.00 C ATOM 359 OG1 THR A 44 -8.454 -8.911 -3.546 1.00 0.00 O ATOM 360 CG2 THR A 44 -7.197 -7.100 -2.652 1.00 0.00 C ATOM 0 H THR A 44 -4.902 -10.395 -1.897 1.00 0.00 H new ATOM 0 HA THR A 44 -6.408 -10.392 -3.567 1.00 0.00 H new ATOM 0 HB THR A 44 -7.359 -9.012 -1.738 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.230 -8.449 -3.166 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.113 -6.702 -2.216 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.350 -6.836 -2.019 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.054 -6.676 -3.646 1.00 0.00 H new ATOM 361 N GLY A 45 -6.592 -8.757 -5.745 1.00 0.00 N ATOM 362 CA GLY A 45 -6.305 -8.223 -7.111 1.00 0.00 C ATOM 363 C GLY A 45 -6.102 -6.690 -7.134 1.00 0.00 C ATOM 364 O GLY A 45 -7.016 -5.938 -7.479 1.00 0.00 O ATOM 0 H GLY A 45 -7.577 -8.955 -5.571 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.411 -8.708 -7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.127 -8.484 -7.777 1.00 0.00 H new ATOM 365 N ALA A 46 -4.897 -6.247 -6.738 1.00 0.00 N ATOM 366 CA ALA A 46 -4.617 -4.797 -6.524 1.00 0.00 C ATOM 367 C ALA A 46 -3.161 -4.378 -6.914 1.00 0.00 C ATOM 368 O ALA A 46 -2.997 -3.414 -7.663 1.00 0.00 O ATOM 369 CB ALA A 46 -4.937 -4.453 -5.049 1.00 0.00 C ATOM 0 H ALA A 46 -4.100 -6.858 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.257 -4.222 -7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.739 -3.396 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.987 -4.665 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.311 -5.056 -4.391 1.00 0.00 H new ATOM 370 N ASP A 47 -2.117 -5.072 -6.381 1.00 0.00 N ATOM 371 CA ASP A 47 -0.682 -4.647 -6.510 1.00 0.00 C ATOM 372 C ASP A 47 -0.400 -3.386 -5.621 1.00 0.00 C ATOM 373 O ASP A 47 -0.744 -2.255 -5.978 1.00 0.00 O ATOM 374 CB ASP A 47 -0.213 -4.525 -7.992 1.00 0.00 C ATOM 375 CG ASP A 47 1.295 -4.343 -8.169 1.00 0.00 C ATOM 376 OD1 ASP A 47 2.116 -5.246 -8.022 1.00 0.00 O ATOM 377 OD2 ASP A 47 1.615 -3.066 -8.518 1.00 0.00 O ATOM 0 H ASP A 47 -2.238 -5.936 -5.853 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.051 -5.443 -6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.524 -5.419 -8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.724 -3.680 -8.453 1.00 0.00 H new ATOM 378 N TYR A 48 0.205 -3.601 -4.435 1.00 0.00 N ATOM 379 CA TYR A 48 0.315 -2.523 -3.407 1.00 0.00 C ATOM 380 C TYR A 48 1.557 -1.597 -3.653 1.00 0.00 C ATOM 381 O TYR A 48 2.590 -1.711 -2.988 1.00 0.00 O ATOM 382 CB TYR A 48 0.341 -3.187 -1.992 1.00 0.00 C ATOM 383 CG TYR A 48 -0.925 -3.906 -1.452 1.00 0.00 C ATOM 384 CD1 TYR A 48 -2.168 -3.891 -2.102 1.00 0.00 C ATOM 385 CD2 TYR A 48 -0.814 -4.556 -0.215 1.00 0.00 C ATOM 386 CE1 TYR A 48 -3.270 -4.520 -1.528 1.00 0.00 C ATOM 387 CE2 TYR A 48 -1.920 -5.182 0.354 1.00 0.00 C ATOM 388 CZ TYR A 48 -3.143 -5.166 -0.303 1.00 0.00 C ATOM 389 OH TYR A 48 -4.218 -5.813 0.244 1.00 0.00 O ATOM 0 H TYR A 48 0.621 -4.491 -4.160 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.552 -1.867 -3.478 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.153 -3.914 -1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.605 -2.411 -1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.271 -3.389 -3.053 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.135 -4.571 0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.224 -4.506 -2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.826 -5.681 1.307 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.958 -6.212 1.101 1.00 0.00 H new ATOM 390 N TYR A 49 1.421 -0.651 -4.610 1.00 0.00 N ATOM 391 CA TYR A 49 2.487 0.360 -4.924 1.00 0.00 C ATOM 392 C TYR A 49 3.833 -0.295 -5.406 1.00 0.00 C ATOM 393 O TYR A 49 4.845 -0.247 -4.705 1.00 0.00 O ATOM 394 CB TYR A 49 2.706 1.374 -3.744 1.00 0.00 C ATOM 395 CG TYR A 49 1.478 2.223 -3.357 1.00 0.00 C ATOM 396 CD1 TYR A 49 1.220 3.430 -4.014 1.00 0.00 C ATOM 397 CD2 TYR A 49 0.617 1.800 -2.337 1.00 0.00 C ATOM 398 CE1 TYR A 49 0.109 4.196 -3.667 1.00 0.00 C ATOM 399 CE2 TYR A 49 -0.492 2.571 -1.991 1.00 0.00 C ATOM 400 CZ TYR A 49 -0.743 3.770 -2.652 1.00 0.00 C ATOM 401 OH TYR A 49 -1.828 4.531 -2.307 1.00 0.00 O ATOM 0 H TYR A 49 0.585 -0.557 -5.186 1.00 0.00 H new ATOM 0 HA TYR A 49 2.116 0.936 -5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.031 0.817 -2.866 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.520 2.047 -4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.885 3.770 -4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.812 0.874 -1.817 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.091 5.122 -4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.158 2.237 -1.209 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.319 4.091 -1.582 1.00 0.00 H new ATOM 402 N SER A 50 3.864 -0.898 -6.614 1.00 0.00 N ATOM 403 CA SER A 50 5.105 -1.587 -7.105 1.00 0.00 C ATOM 404 C SER A 50 6.111 -0.670 -7.894 1.00 0.00 C ATOM 405 O SER A 50 6.643 -1.058 -8.939 1.00 0.00 O ATOM 406 CB SER A 50 4.691 -2.851 -7.898 1.00 0.00 C ATOM 407 OG SER A 50 4.012 -2.512 -9.109 1.00 0.00 O ATOM 0 H SER A 50 3.075 -0.930 -7.260 1.00 0.00 H new ATOM 0 HA SER A 50 5.685 -1.875 -6.228 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.577 -3.442 -8.130 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.045 -3.474 -7.280 1.00 0.00 H new ATOM 0 HG SER A 50 3.137 -2.953 -9.128 1.00 0.00 H new ATOM 408 N SER A 51 6.420 0.519 -7.344 1.00 0.00 N ATOM 409 CA SER A 51 7.590 1.326 -7.792 1.00 0.00 C ATOM 410 C SER A 51 8.003 2.328 -6.668 1.00 0.00 C ATOM 411 O SER A 51 7.182 2.772 -5.851 1.00 0.00 O ATOM 412 CB SER A 51 7.336 2.061 -9.143 1.00 0.00 C ATOM 413 OG SER A 51 6.521 3.224 -8.985 1.00 0.00 O ATOM 0 H SER A 51 5.883 0.948 -6.591 1.00 0.00 H new ATOM 0 HA SER A 51 8.414 0.637 -7.977 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.291 2.347 -9.583 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.856 1.376 -9.842 1.00 0.00 H new ATOM 0 HG SER A 51 5.735 3.154 -9.567 1.00 0.00 H new ATOM 414 N TYR A 52 9.287 2.740 -6.673 1.00 0.00 N ATOM 415 CA TYR A 52 9.751 3.854 -5.788 1.00 0.00 C ATOM 416 C TYR A 52 9.030 5.225 -6.087 1.00 0.00 C ATOM 417 O TYR A 52 8.620 5.912 -5.154 1.00 0.00 O ATOM 418 CB TYR A 52 11.303 3.943 -5.889 1.00 0.00 C ATOM 419 CG TYR A 52 11.964 4.731 -4.741 1.00 0.00 C ATOM 420 CD1 TYR A 52 12.058 6.127 -4.799 1.00 0.00 C ATOM 421 CD2 TYR A 52 12.486 4.054 -3.633 1.00 0.00 C ATOM 422 CE1 TYR A 52 12.654 6.833 -3.756 1.00 0.00 C ATOM 423 CE2 TYR A 52 13.084 4.764 -2.594 1.00 0.00 C ATOM 424 CZ TYR A 52 13.162 6.152 -2.654 1.00 0.00 C ATOM 425 OH TYR A 52 13.741 6.845 -1.626 1.00 0.00 O ATOM 0 H TYR A 52 10.015 2.336 -7.262 1.00 0.00 H new ATOM 0 HA TYR A 52 9.472 3.633 -4.758 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.714 2.934 -5.906 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.568 4.411 -6.837 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.667 6.658 -5.655 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.425 2.977 -3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.722 7.910 -3.803 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.487 4.237 -1.742 1.00 0.00 H new ATOM 0 HH TYR A 52 13.224 7.658 -1.448 1.00 0.00 H new ATOM 426 N ARG A 53 8.843 5.590 -7.376 1.00 0.00 N ATOM 427 CA ARG A 53 8.067 6.808 -7.763 1.00 0.00 C ATOM 428 C ARG A 53 6.569 6.827 -7.273 1.00 0.00 C ATOM 429 O ARG A 53 6.131 7.843 -6.726 1.00 0.00 O ATOM 430 CB ARG A 53 8.194 6.956 -9.309 1.00 0.00 C ATOM 431 CG ARG A 53 7.745 8.319 -9.910 1.00 0.00 C ATOM 432 CD ARG A 53 8.730 9.489 -9.673 1.00 0.00 C ATOM 433 NE ARG A 53 8.498 10.147 -8.351 1.00 0.00 N ATOM 434 CZ ARG A 53 9.419 10.852 -7.683 1.00 0.00 C ATOM 435 NH1 ARG A 53 10.664 10.969 -8.076 1.00 0.00 N ATOM 436 NH2 ARG A 53 9.053 11.454 -6.593 1.00 0.00 N ATOM 0 H ARG A 53 9.214 5.066 -8.169 1.00 0.00 H new ATOM 0 HA ARG A 53 8.493 7.669 -7.249 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.235 6.787 -9.585 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.608 6.166 -9.778 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.600 8.197 -10.983 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.777 8.586 -9.486 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.754 9.118 -9.720 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.620 10.224 -10.470 1.00 0.00 H new ATOM 0 HE ARG A 53 7.574 10.052 -7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.974 10.509 -8.932 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.323 11.520 -7.526 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.088 11.381 -6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.730 12.000 -6.060 1.00 0.00 H new ATOM 437 N ASP A 54 5.801 5.720 -7.438 1.00 0.00 N ATOM 438 CA ASP A 54 4.398 5.638 -6.907 1.00 0.00 C ATOM 439 C ASP A 54 4.311 5.768 -5.343 1.00 0.00 C ATOM 440 O ASP A 54 3.577 6.621 -4.839 1.00 0.00 O ATOM 441 CB ASP A 54 3.702 4.323 -7.375 1.00 0.00 C ATOM 442 CG ASP A 54 3.491 4.182 -8.881 1.00 0.00 C ATOM 443 OD1 ASP A 54 2.639 5.123 -9.376 1.00 0.00 O ATOM 444 OD2 ASP A 54 4.023 3.307 -9.558 1.00 0.00 O ATOM 0 H ASP A 54 6.114 4.880 -7.925 1.00 0.00 H new ATOM 0 HA ASP A 54 3.872 6.497 -7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.296 3.477 -7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.732 4.253 -6.883 1.00 0.00 H new ATOM 445 N CYS A 55 5.075 4.948 -4.590 1.00 0.00 N ATOM 446 CA CYS A 55 5.160 5.071 -3.105 1.00 0.00 C ATOM 447 C CYS A 55 5.721 6.435 -2.567 1.00 0.00 C ATOM 448 O CYS A 55 5.145 7.003 -1.635 1.00 0.00 O ATOM 449 CB CYS A 55 6.003 3.872 -2.633 1.00 0.00 C ATOM 450 SG CYS A 55 6.467 4.031 -0.898 1.00 0.00 S ATOM 0 H CYS A 55 5.643 4.194 -4.977 1.00 0.00 H new ATOM 0 HA CYS A 55 4.151 5.062 -2.693 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.439 2.950 -2.777 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.902 3.794 -3.245 1.00 0.00 H new ATOM 451 N PHE A 56 6.829 6.960 -3.137 1.00 0.00 N ATOM 452 CA PHE A 56 7.388 8.280 -2.711 1.00 0.00 C ATOM 453 C PHE A 56 6.435 9.498 -3.005 1.00 0.00 C ATOM 454 O PHE A 56 6.293 10.375 -2.151 1.00 0.00 O ATOM 455 CB PHE A 56 8.801 8.433 -3.345 1.00 0.00 C ATOM 456 CG PHE A 56 9.735 9.407 -2.608 1.00 0.00 C ATOM 457 CD1 PHE A 56 9.695 10.780 -2.873 1.00 0.00 C ATOM 458 CD2 PHE A 56 10.670 8.910 -1.692 1.00 0.00 C ATOM 459 CE1 PHE A 56 10.581 11.643 -2.232 1.00 0.00 C ATOM 460 CE2 PHE A 56 11.561 9.773 -1.062 1.00 0.00 C ATOM 461 CZ PHE A 56 11.518 11.138 -1.333 1.00 0.00 C ATOM 0 H PHE A 56 7.354 6.504 -3.883 1.00 0.00 H new ATOM 0 HA PHE A 56 7.476 8.293 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.276 7.453 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.687 8.770 -4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.975 11.172 -3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.700 7.853 -1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.542 12.704 -2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.286 9.384 -0.363 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.212 11.807 -0.846 1.00 0.00 H new ATOM 462 N ASN A 57 5.745 9.528 -4.168 1.00 0.00 N ATOM 463 CA ASN A 57 4.621 10.494 -4.399 1.00 0.00 C ATOM 464 C ASN A 57 3.396 10.296 -3.428 1.00 0.00 C ATOM 465 O ASN A 57 2.902 11.272 -2.861 1.00 0.00 O ATOM 466 CB ASN A 57 4.137 10.404 -5.880 1.00 0.00 C ATOM 467 CG ASN A 57 5.130 10.870 -6.955 1.00 0.00 C ATOM 468 OD1 ASN A 57 6.284 11.209 -6.707 1.00 0.00 O ATOM 469 ND2 ASN A 57 4.698 10.887 -8.193 1.00 0.00 N ATOM 0 H ASN A 57 5.935 8.909 -4.956 1.00 0.00 H new ATOM 0 HA ASN A 57 5.025 11.483 -4.185 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.869 9.368 -6.089 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.226 10.995 -5.978 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.320 11.181 -8.946 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.740 10.606 -8.403 1.00 0.00 H new ATOM 470 N ALA A 58 2.908 9.048 -3.252 1.00 0.00 N ATOM 471 CA ALA A 58 1.718 8.768 -2.400 1.00 0.00 C ATOM 472 C ALA A 58 1.915 8.973 -0.856 1.00 0.00 C ATOM 473 O ALA A 58 1.054 9.577 -0.210 1.00 0.00 O ATOM 474 CB ALA A 58 1.288 7.328 -2.734 1.00 0.00 C ATOM 0 H ALA A 58 3.314 8.218 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 58 0.949 9.504 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.415 7.062 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.039 7.259 -3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.105 6.643 -2.508 1.00 0.00 H new ATOM 475 N CYS A 59 3.020 8.463 -0.270 1.00 0.00 N ATOM 476 CA CYS A 59 3.328 8.681 1.173 1.00 0.00 C ATOM 477 C CYS A 59 4.256 9.911 1.463 1.00 0.00 C ATOM 478 O CYS A 59 3.950 10.690 2.367 1.00 0.00 O ATOM 479 CB CYS A 59 3.890 7.374 1.780 1.00 0.00 C ATOM 480 SG CYS A 59 2.547 6.409 2.508 1.00 0.00 S ATOM 0 H CYS A 59 3.713 7.901 -0.764 1.00 0.00 H new ATOM 0 HA CYS A 59 2.389 8.940 1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.392 6.791 1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.636 7.607 2.540 1.00 0.00 H new ATOM 481 N ILE A 60 5.397 10.074 0.758 1.00 0.00 N ATOM 482 CA ILE A 60 6.390 11.141 1.118 1.00 0.00 C ATOM 483 C ILE A 60 5.988 12.510 0.480 1.00 0.00 C ATOM 484 O ILE A 60 5.803 13.524 1.151 1.00 0.00 O ATOM 485 CB ILE A 60 7.872 10.713 0.791 1.00 0.00 C ATOM 486 CG1 ILE A 60 8.288 9.301 1.321 1.00 0.00 C ATOM 487 CG2 ILE A 60 8.901 11.768 1.285 1.00 0.00 C ATOM 488 CD1 ILE A 60 8.162 9.085 2.844 1.00 0.00 C ATOM 489 OXT ILE A 60 5.880 12.468 -0.889 1.00 0.00 O ATOM 0 H ILE A 60 5.660 9.503 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 60 6.363 11.275 2.199 1.00 0.00 H new ATOM 0 HB ILE A 60 7.887 10.653 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.678 8.551 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.323 9.117 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.910 11.435 1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.706 12.723 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.810 11.887 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.477 8.072 3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.795 9.802 3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.125 9.228 3.147 1.00 0.00 H new TER 490 ILE A 60