USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 668 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 89 THR OG1 : rot 89:sc= -0.28 USER MOD Set 1.2: A 90 HIS : no HD1:sc= -1.3 K(o=-1.6,f=-3.9) USER MOD Set 2.1: A 61 GLN : amide:sc= -0.703 K(o=-0.76,f=-8.8!) USER MOD Set 2.2: A 69 MET CE :methyl -167:sc= -0.0607 (180deg=-0.256) USER MOD Set 3.1: A 50 LYS NZ :NH3+ 164:sc= 1.38 (180deg=0.0026) USER MOD Set 3.2: A 73 TYR OH : rot -104:sc= 2.08 USER MOD Set 4.1: A 1 ALA N :NH3+ 175:sc= 0.576 (180deg=0.387) USER MOD Set 4.2: A 2 THR OG1 : rot -70:sc= 1.24 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 1.02 K(o=1,f=-0.13) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 1.18 (180deg=0.898) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= -0.0366 (180deg=-0.167) USER MOD Single : A 18 CYS SG : rot -55:sc= -2.64! USER MOD Single : A 23 TYR OH : rot 5:sc= 1.22 USER MOD Single : A 27 GLN : amide:sc= 0.962 K(o=0.96,f=-0.09) USER MOD Single : A 37 TYR OH : rot -73:sc= 1.22 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 24:sc= 1.16 USER MOD Single : A 45 SER OG : rot 58:sc= 0.406 USER MOD Single : A 46 SER OG : rot 8:sc= 0.533 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0523 USER MOD Single : A 55 SER OG : rot 180:sc= -0.143 USER MOD Single : A 58 GLN : amide:sc= -1.87 K(o=-1.9,f=-9.4!) USER MOD Single : A 59 SER OG : rot 70:sc= 1.3 USER MOD Single : A 62 SER OG : rot 47:sc= 0.682 USER MOD Single : A 68 GLN : amide:sc= 0.126 K(o=0.13,f=-5.2!) USER MOD Single : A 76 THR OG1 : rot -160:sc= -0.236 USER MOD Single : A 78 HIS : no HE2:sc= -0.811 K(o=-0.81,f=-8.5!) USER MOD Single : A 80 TYR OH : rot 104:sc= 0.603 USER MOD Single : A 82 THR OG1 : rot 9:sc= 0.624 USER MOD Single : A 83 SER OG : rot 11:sc= 0.86 USER MOD Single : A 91 LYS NZ :NH3+ -119:sc= 2.43 (180deg=-0.621) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.402 -3.563 -0.445 1.00 0.00 N ATOM 2 CA ALA A 1 16.981 -4.903 0.017 1.00 0.00 C ATOM 3 C ALA A 1 16.022 -5.595 -0.954 1.00 0.00 C ATOM 4 O ALA A 1 16.288 -6.722 -1.359 1.00 0.00 O ATOM 5 CB ALA A 1 16.413 -4.890 1.437 1.00 0.00 C ATOM 0 H1 ALA A 1 17.981 -3.109 0.290 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.960 -3.656 -1.318 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.561 -2.980 -0.632 1.00 0.00 H new ATOM 0 HA ALA A 1 17.895 -5.496 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.121 -5.901 1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.171 -4.523 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.541 -4.237 1.474 1.00 0.00 H new ATOM 12 N THR A 2 14.930 -4.921 -1.333 1.00 0.00 N ATOM 13 CA THR A 2 14.115 -5.299 -2.490 1.00 0.00 C ATOM 14 C THR A 2 13.225 -6.511 -2.205 1.00 0.00 C ATOM 15 O THR A 2 13.577 -7.648 -2.511 1.00 0.00 O ATOM 16 CB THR A 2 15.006 -5.469 -3.728 1.00 0.00 C ATOM 17 OG1 THR A 2 15.980 -4.439 -3.743 1.00 0.00 O ATOM 18 CG2 THR A 2 14.186 -5.457 -5.024 1.00 0.00 C ATOM 0 H THR A 2 14.587 -4.095 -0.843 1.00 0.00 H new ATOM 0 HA THR A 2 13.417 -4.489 -2.703 1.00 0.00 H new ATOM 0 HB THR A 2 15.498 -6.440 -3.672 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.546 -3.581 -3.931 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.853 -5.580 -5.878 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.465 -6.274 -5.006 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.657 -4.508 -5.111 1.00 0.00 H new ATOM 26 N TYR A 3 12.050 -6.259 -1.624 1.00 0.00 N ATOM 27 CA TYR A 3 11.204 -7.298 -1.058 1.00 0.00 C ATOM 28 C TYR A 3 10.027 -7.643 -1.960 1.00 0.00 C ATOM 29 O TYR A 3 9.602 -6.838 -2.786 1.00 0.00 O ATOM 30 CB TYR A 3 10.692 -6.838 0.301 1.00 0.00 C ATOM 31 CG TYR A 3 11.787 -6.488 1.285 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.707 -7.467 1.707 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.873 -5.184 1.800 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.683 -7.148 2.666 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.803 -4.888 2.807 1.00 0.00 C ATOM 36 CZ TYR A 3 13.702 -5.870 3.248 1.00 0.00 C ATOM 37 OH TYR A 3 14.613 -5.579 4.218 1.00 0.00 O ATOM 0 H TYR A 3 11.661 -5.320 -1.535 1.00 0.00 H new ATOM 0 HA TYR A 3 11.807 -8.200 -0.956 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.052 -5.967 0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.071 -7.625 0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.662 -8.464 1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.223 -4.409 1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.418 -7.885 2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.827 -3.901 3.244 1.00 0.00 H new ATOM 0 HH TYR A 3 14.492 -4.653 4.514 1.00 0.00 H new ATOM 47 N ASN A 4 9.507 -8.858 -1.769 1.00 0.00 N ATOM 48 CA ASN A 4 8.413 -9.447 -2.516 1.00 0.00 C ATOM 49 C ASN A 4 7.082 -8.969 -1.946 1.00 0.00 C ATOM 50 O ASN A 4 6.531 -9.605 -1.046 1.00 0.00 O ATOM 51 CB ASN A 4 8.549 -10.965 -2.392 1.00 0.00 C ATOM 52 CG ASN A 4 7.537 -11.705 -3.245 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.848 -12.151 -4.346 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.338 -11.840 -2.707 1.00 0.00 N ATOM 0 H ASN A 4 9.864 -9.485 -1.047 1.00 0.00 H new ATOM 0 HA ASN A 4 8.445 -9.152 -3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.556 -11.263 -2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.423 -11.255 -1.349 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.606 -12.339 -3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.145 -11.445 -1.787 1.00 0.00 H new ATOM 61 N VAL A 5 6.565 -7.853 -2.455 1.00 0.00 N ATOM 62 CA VAL A 5 5.304 -7.299 -1.991 1.00 0.00 C ATOM 63 C VAL A 5 4.167 -7.938 -2.776 1.00 0.00 C ATOM 64 O VAL A 5 4.185 -7.879 -4.006 1.00 0.00 O ATOM 65 CB VAL A 5 5.283 -5.778 -2.185 1.00 0.00 C ATOM 66 CG1 VAL A 5 3.939 -5.188 -1.719 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.443 -5.121 -1.428 1.00 0.00 C ATOM 0 H VAL A 5 7.009 -7.312 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 5 5.186 -7.510 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 5 5.401 -5.570 -3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.945 -4.108 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.128 -5.628 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.791 -5.410 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.411 -4.042 -1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.355 -5.342 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.389 -5.511 -1.803 1.00 0.00 H new ATOM 77 N LYS A 6 3.160 -8.490 -2.091 1.00 0.00 N ATOM 78 CA LYS A 6 1.917 -8.856 -2.742 1.00 0.00 C ATOM 79 C LYS A 6 0.860 -7.779 -2.583 1.00 0.00 C ATOM 80 O LYS A 6 0.563 -7.377 -1.457 1.00 0.00 O ATOM 81 CB LYS A 6 1.387 -10.160 -2.174 1.00 0.00 C ATOM 82 CG LYS A 6 0.196 -10.604 -3.028 1.00 0.00 C ATOM 83 CD LYS A 6 -0.475 -11.835 -2.447 1.00 0.00 C ATOM 84 CE LYS A 6 0.530 -12.976 -2.328 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.128 -14.280 -2.547 1.00 0.00 N ATOM 0 H LYS A 6 3.190 -8.689 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 6 2.133 -8.974 -3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.166 -10.923 -2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.082 -10.027 -1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.528 -9.792 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.533 -10.816 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.891 -11.603 -1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.307 -12.138 -3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.329 -12.840 -3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.992 -12.958 -1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.590 -15.033 -2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.804 -14.461 -1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.634 -14.265 -3.456 1.00 0.00 H new ATOM 99 N LEU A 7 0.228 -7.417 -3.704 1.00 0.00 N ATOM 100 CA LEU A 7 -0.984 -6.620 -3.717 1.00 0.00 C ATOM 101 C LEU A 7 -2.139 -7.512 -4.130 1.00 0.00 C ATOM 102 O LEU A 7 -2.236 -7.855 -5.300 1.00 0.00 O ATOM 103 CB LEU A 7 -0.807 -5.423 -4.656 1.00 0.00 C ATOM 104 CG LEU A 7 0.489 -4.638 -4.416 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.611 -3.476 -5.400 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.600 -4.102 -2.991 1.00 0.00 C ATOM 0 H LEU A 7 0.555 -7.677 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.198 -6.218 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.822 -5.776 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.656 -4.750 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 7 1.304 -5.345 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.538 -2.934 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.618 -3.862 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.236 -2.802 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.537 -3.556 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.237 -3.434 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.579 -4.934 -2.287 1.00 0.00 H new ATOM 118 N ILE A 8 -3.002 -7.913 -3.192 1.00 0.00 N ATOM 119 CA ILE A 8 -4.215 -8.647 -3.506 1.00 0.00 C ATOM 120 C ILE A 8 -5.185 -7.627 -4.088 1.00 0.00 C ATOM 121 O ILE A 8 -5.866 -6.897 -3.368 1.00 0.00 O ATOM 122 CB ILE A 8 -4.725 -9.386 -2.258 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.730 -10.473 -1.831 1.00 0.00 C ATOM 124 CG2 ILE A 8 -6.124 -9.984 -2.474 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.818 -10.788 -0.337 1.00 0.00 C ATOM 0 H ILE A 8 -2.873 -7.734 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.063 -9.437 -4.241 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.808 -8.652 -1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.920 -11.381 -2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.717 -10.150 -2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.445 -10.497 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.829 -9.186 -2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.093 -10.694 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.094 -11.563 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.601 -9.888 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.822 -11.138 -0.097 1.00 0.00 H new ATOM 137 N THR A 9 -5.181 -7.535 -5.414 1.00 0.00 N ATOM 138 CA THR A 9 -6.087 -6.706 -6.169 1.00 0.00 C ATOM 139 C THR A 9 -7.301 -7.545 -6.574 1.00 0.00 C ATOM 140 O THR A 9 -7.144 -8.755 -6.756 1.00 0.00 O ATOM 141 CB THR A 9 -5.372 -6.237 -7.431 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.928 -7.362 -8.166 1.00 0.00 O ATOM 143 CG2 THR A 9 -4.099 -5.457 -7.132 1.00 0.00 C ATOM 0 H THR A 9 -4.526 -8.053 -6.000 1.00 0.00 H new ATOM 0 HA THR A 9 -6.406 -5.851 -5.573 1.00 0.00 H new ATOM 0 HB THR A 9 -6.090 -5.614 -7.964 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.470 -7.062 -8.979 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.633 -5.149 -8.068 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.343 -4.575 -6.541 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.408 -6.088 -6.573 1.00 0.00 H new ATOM 151 N PRO A 10 -8.465 -6.926 -6.824 1.00 0.00 N ATOM 152 CA PRO A 10 -9.660 -7.605 -7.296 1.00 0.00 C ATOM 153 C PRO A 10 -9.411 -8.375 -8.601 1.00 0.00 C ATOM 154 O PRO A 10 -9.999 -9.428 -8.828 1.00 0.00 O ATOM 155 CB PRO A 10 -10.730 -6.537 -7.473 1.00 0.00 C ATOM 156 CG PRO A 10 -10.190 -5.287 -6.806 1.00 0.00 C ATOM 157 CD PRO A 10 -8.696 -5.504 -6.702 1.00 0.00 C ATOM 0 HA PRO A 10 -9.977 -8.357 -6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.932 -6.359 -8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.670 -6.847 -7.017 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.418 -4.398 -7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.636 -5.142 -5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.172 -4.960 -7.487 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.318 -5.132 -5.750 1.00 0.00 H new ATOM 165 N ASP A 11 -8.511 -7.843 -9.436 1.00 0.00 N ATOM 166 CA ASP A 11 -8.021 -8.434 -10.675 1.00 0.00 C ATOM 167 C ASP A 11 -7.468 -9.837 -10.437 1.00 0.00 C ATOM 168 O ASP A 11 -7.497 -10.684 -11.327 1.00 0.00 O ATOM 169 CB ASP A 11 -6.921 -7.530 -11.252 1.00 0.00 C ATOM 170 CG ASP A 11 -7.507 -6.452 -12.150 1.00 0.00 C ATOM 171 OD1 ASP A 11 -8.218 -5.591 -11.591 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.244 -6.517 -13.371 1.00 0.00 O ATOM 0 H ASP A 11 -8.084 -6.936 -9.249 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.849 -8.518 -11.379 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.365 -7.065 -10.438 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.212 -8.133 -11.819 1.00 0.00 H new ATOM 177 N GLY A 12 -6.963 -10.066 -9.225 1.00 0.00 N ATOM 178 CA GLY A 12 -6.552 -11.358 -8.734 1.00 0.00 C ATOM 179 C GLY A 12 -5.052 -11.388 -8.470 1.00 0.00 C ATOM 180 O GLY A 12 -4.350 -12.207 -9.058 1.00 0.00 O ATOM 0 H GLY A 12 -6.829 -9.321 -8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.091 -11.591 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.813 -12.127 -9.461 1.00 0.00 H new ATOM 184 N GLU A 13 -4.599 -10.506 -7.566 1.00 0.00 N ATOM 185 CA GLU A 13 -3.241 -10.393 -7.046 1.00 0.00 C ATOM 186 C GLU A 13 -2.214 -9.924 -8.077 1.00 0.00 C ATOM 187 O GLU A 13 -2.202 -10.355 -9.225 1.00 0.00 O ATOM 188 CB GLU A 13 -2.755 -11.709 -6.446 1.00 0.00 C ATOM 189 CG GLU A 13 -3.396 -12.078 -5.111 1.00 0.00 C ATOM 190 CD GLU A 13 -3.201 -13.555 -4.758 1.00 0.00 C ATOM 191 OE1 GLU A 13 -2.123 -13.899 -4.214 1.00 0.00 O ATOM 192 OE2 GLU A 13 -4.147 -14.325 -5.015 1.00 0.00 O ATOM 0 H GLU A 13 -5.220 -9.808 -7.155 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.313 -9.627 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.947 -12.510 -7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.675 -11.654 -6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.968 -11.459 -4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.462 -11.854 -5.149 1.00 0.00 H new ATOM 199 N VAL A 14 -1.287 -9.089 -7.607 1.00 0.00 N ATOM 200 CA VAL A 14 -0.091 -8.686 -8.320 1.00 0.00 C ATOM 201 C VAL A 14 1.068 -8.652 -7.314 1.00 0.00 C ATOM 202 O VAL A 14 1.211 -7.727 -6.514 1.00 0.00 O ATOM 203 CB VAL A 14 -0.333 -7.378 -9.095 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.442 -7.563 -10.129 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.804 -6.224 -8.218 1.00 0.00 C ATOM 0 H VAL A 14 -1.358 -8.663 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 14 0.183 -9.401 -9.096 1.00 0.00 H new ATOM 0 HB VAL A 14 0.635 -7.143 -9.538 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.598 -6.628 -10.666 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.155 -8.343 -10.834 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.365 -7.850 -9.625 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.953 -5.337 -8.833 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.744 -6.493 -7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.052 -6.015 -7.457 1.00 0.00 H new ATOM 215 N GLU A 15 1.851 -9.731 -7.308 1.00 0.00 N ATOM 216 CA GLU A 15 3.098 -9.870 -6.574 1.00 0.00 C ATOM 217 C GLU A 15 4.235 -9.224 -7.364 1.00 0.00 C ATOM 218 O GLU A 15 4.343 -9.438 -8.570 1.00 0.00 O ATOM 219 CB GLU A 15 3.359 -11.364 -6.307 1.00 0.00 C ATOM 220 CG GLU A 15 3.630 -11.616 -4.826 1.00 0.00 C ATOM 221 CD GLU A 15 3.587 -13.096 -4.461 1.00 0.00 C ATOM 222 OE1 GLU A 15 2.601 -13.760 -4.846 1.00 0.00 O ATOM 223 OE2 GLU A 15 4.510 -13.518 -3.737 1.00 0.00 O ATOM 0 H GLU A 15 1.617 -10.568 -7.842 1.00 0.00 H new ATOM 0 HA GLU A 15 3.035 -9.359 -5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.498 -11.950 -6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.211 -11.699 -6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.608 -11.211 -4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.893 -11.078 -4.230 1.00 0.00 H new ATOM 230 N PHE A 16 5.065 -8.420 -6.697 1.00 0.00 N ATOM 231 CA PHE A 16 6.145 -7.678 -7.340 1.00 0.00 C ATOM 232 C PHE A 16 7.263 -7.304 -6.370 1.00 0.00 C ATOM 233 O PHE A 16 7.153 -7.569 -5.171 1.00 0.00 O ATOM 234 CB PHE A 16 5.596 -6.490 -8.117 1.00 0.00 C ATOM 235 CG PHE A 16 5.263 -5.306 -7.255 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.235 -5.404 -6.305 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.129 -4.200 -7.239 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.087 -4.405 -5.340 1.00 0.00 C ATOM 239 CE2 PHE A 16 5.932 -3.177 -6.314 1.00 0.00 C ATOM 240 CZ PHE A 16 4.905 -3.267 -5.372 1.00 0.00 C ATOM 0 H PHE A 16 5.004 -8.266 -5.690 1.00 0.00 H new ATOM 0 HA PHE A 16 6.617 -8.341 -8.065 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.328 -6.188 -8.867 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.700 -6.801 -8.654 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.561 -6.248 -6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.946 -4.143 -7.943 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.340 -4.510 -4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.576 -2.310 -6.326 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.741 -2.462 -4.670 1.00 0.00 H new ATOM 250 N LYS A 17 8.371 -6.758 -6.891 1.00 0.00 N ATOM 251 CA LYS A 17 9.528 -6.397 -6.083 1.00 0.00 C ATOM 252 C LYS A 17 9.539 -4.898 -5.820 1.00 0.00 C ATOM 253 O LYS A 17 9.523 -4.096 -6.751 1.00 0.00 O ATOM 254 CB LYS A 17 10.839 -6.899 -6.719 1.00 0.00 C ATOM 255 CG LYS A 17 11.496 -8.000 -5.866 1.00 0.00 C ATOM 256 CD LYS A 17 10.615 -9.244 -5.706 1.00 0.00 C ATOM 257 CE LYS A 17 10.894 -10.357 -6.721 1.00 0.00 C ATOM 258 NZ LYS A 17 10.676 -9.913 -8.112 1.00 0.00 N ATOM 0 H LYS A 17 8.483 -6.557 -7.885 1.00 0.00 H new ATOM 0 HA LYS A 17 9.451 -6.897 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.635 -7.284 -7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.531 -6.065 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.442 -8.289 -6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.728 -7.597 -4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.752 -9.644 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.570 -8.946 -5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.923 -10.699 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.249 -11.210 -6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.744 -10.730 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.732 -9.485 -8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.398 -9.211 -8.369 1.00 0.00 H new ATOM 272 N CYS A 18 9.584 -4.527 -4.540 1.00 0.00 N ATOM 273 CA CYS A 18 9.669 -3.136 -4.135 1.00 0.00 C ATOM 274 C CYS A 18 10.860 -2.919 -3.216 1.00 0.00 C ATOM 275 O CYS A 18 11.046 -3.660 -2.246 1.00 0.00 O ATOM 276 CB CYS A 18 8.374 -2.685 -3.493 1.00 0.00 C ATOM 277 SG CYS A 18 8.561 -0.908 -3.196 1.00 0.00 S ATOM 0 H CYS A 18 9.562 -5.186 -3.761 1.00 0.00 H new ATOM 0 HA CYS A 18 9.823 -2.523 -5.023 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.524 -2.885 -4.146 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.193 -3.220 -2.561 1.00 0.00 H new ATOM 0 HG CYS A 18 9.633 -0.696 -2.492 1.00 0.00 H new ATOM 283 N ASP A 19 11.689 -1.932 -3.557 1.00 0.00 N ATOM 284 CA ASP A 19 12.824 -1.536 -2.761 1.00 0.00 C ATOM 285 C ASP A 19 12.363 -0.839 -1.492 1.00 0.00 C ATOM 286 O ASP A 19 11.468 -0.009 -1.459 1.00 0.00 O ATOM 287 CB ASP A 19 13.813 -0.700 -3.575 1.00 0.00 C ATOM 288 CG ASP A 19 14.159 -1.426 -4.861 1.00 0.00 C ATOM 289 OD1 ASP A 19 13.375 -1.266 -5.821 1.00 0.00 O ATOM 290 OD2 ASP A 19 15.143 -2.195 -4.823 1.00 0.00 O ATOM 0 H ASP A 19 11.579 -1.384 -4.410 1.00 0.00 H new ATOM 0 HA ASP A 19 13.368 -2.430 -2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.380 0.274 -3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.717 -0.520 -2.993 1.00 0.00 H new ATOM 295 N ASP A 20 13.070 -1.173 -0.438 1.00 0.00 N ATOM 296 CA ASP A 20 13.026 -0.630 0.902 1.00 0.00 C ATOM 297 C ASP A 20 13.240 0.886 0.896 1.00 0.00 C ATOM 298 O ASP A 20 12.766 1.579 1.792 1.00 0.00 O ATOM 299 CB ASP A 20 14.041 -1.406 1.778 1.00 0.00 C ATOM 300 CG ASP A 20 15.348 -1.836 1.083 1.00 0.00 C ATOM 301 OD1 ASP A 20 15.271 -2.376 -0.053 1.00 0.00 O ATOM 302 OD2 ASP A 20 16.433 -1.817 1.695 1.00 0.00 O ATOM 0 H ASP A 20 13.768 -1.914 -0.505 1.00 0.00 H new ATOM 0 HA ASP A 20 12.037 -0.766 1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.297 -0.786 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.549 -2.298 2.165 1.00 0.00 H new ATOM 307 N ASP A 21 13.900 1.392 -0.147 1.00 0.00 N ATOM 308 CA ASP A 21 14.183 2.801 -0.366 1.00 0.00 C ATOM 309 C ASP A 21 13.255 3.418 -1.426 1.00 0.00 C ATOM 310 O ASP A 21 13.473 4.566 -1.813 1.00 0.00 O ATOM 311 CB ASP A 21 15.650 2.944 -0.804 1.00 0.00 C ATOM 312 CG ASP A 21 16.649 2.691 0.317 1.00 0.00 C ATOM 313 OD1 ASP A 21 16.562 3.409 1.336 1.00 0.00 O ATOM 314 OD2 ASP A 21 17.510 1.808 0.113 1.00 0.00 O ATOM 0 H ASP A 21 14.266 0.800 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 21 14.006 3.339 0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.847 2.247 -1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.806 3.948 -1.199 1.00 0.00 H new ATOM 319 N VAL A 22 12.232 2.701 -1.915 1.00 0.00 N ATOM 320 CA VAL A 22 11.304 3.222 -2.919 1.00 0.00 C ATOM 321 C VAL A 22 9.861 2.972 -2.487 1.00 0.00 C ATOM 322 O VAL A 22 9.584 2.102 -1.663 1.00 0.00 O ATOM 323 CB VAL A 22 11.630 2.642 -4.309 1.00 0.00 C ATOM 324 CG1 VAL A 22 11.017 1.268 -4.565 1.00 0.00 C ATOM 325 CG2 VAL A 22 11.139 3.566 -5.425 1.00 0.00 C ATOM 0 H VAL A 22 12.028 1.745 -1.623 1.00 0.00 H new ATOM 0 HA VAL A 22 11.424 4.302 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 22 12.716 2.549 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.291 0.927 -5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.389 0.560 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.932 1.334 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.384 3.129 -6.393 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.059 3.690 -5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.624 4.538 -5.332 1.00 0.00 H new ATOM 335 N TYR A 23 8.930 3.762 -3.020 1.00 0.00 N ATOM 336 CA TYR A 23 7.534 3.625 -2.670 1.00 0.00 C ATOM 337 C TYR A 23 6.925 2.387 -3.336 1.00 0.00 C ATOM 338 O TYR A 23 7.299 2.025 -4.454 1.00 0.00 O ATOM 339 CB TYR A 23 6.773 4.892 -3.055 1.00 0.00 C ATOM 340 CG TYR A 23 7.220 6.177 -2.380 1.00 0.00 C ATOM 341 CD1 TYR A 23 7.286 6.257 -0.975 1.00 0.00 C ATOM 342 CD2 TYR A 23 7.365 7.349 -3.145 1.00 0.00 C ATOM 343 CE1 TYR A 23 7.386 7.510 -0.345 1.00 0.00 C ATOM 344 CE2 TYR A 23 7.544 8.591 -2.513 1.00 0.00 C ATOM 345 CZ TYR A 23 7.523 8.677 -1.112 1.00 0.00 C ATOM 346 OH TYR A 23 7.587 9.901 -0.521 1.00 0.00 O ATOM 0 H TYR A 23 9.126 4.501 -3.695 1.00 0.00 H new ATOM 0 HA TYR A 23 7.453 3.490 -1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.855 5.026 -4.134 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.717 4.738 -2.832 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.260 5.355 -0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.339 7.294 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.357 7.574 0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.698 9.481 -3.106 1.00 0.00 H new ATOM 0 HH TYR A 23 7.603 9.794 0.453 1.00 0.00 H new ATOM 356 N VAL A 24 5.962 1.754 -2.656 1.00 0.00 N ATOM 357 CA VAL A 24 5.215 0.627 -3.211 1.00 0.00 C ATOM 358 C VAL A 24 4.602 1.014 -4.561 1.00 0.00 C ATOM 359 O VAL A 24 4.865 0.354 -5.565 1.00 0.00 O ATOM 360 CB VAL A 24 4.157 0.113 -2.215 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.572 -1.215 -2.695 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.758 -0.230 -0.854 1.00 0.00 C ATOM 0 H VAL A 24 5.682 2.010 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 24 5.904 -0.200 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 24 3.422 0.914 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.827 -1.564 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.103 -1.075 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.368 -1.954 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.972 -0.587 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.512 -1.008 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.219 0.660 -0.425 1.00 0.00 H new ATOM 372 N LEU A 25 3.790 2.079 -4.580 1.00 0.00 N ATOM 373 CA LEU A 25 3.101 2.543 -5.784 1.00 0.00 C ATOM 374 C LEU A 25 4.083 2.740 -6.938 1.00 0.00 C ATOM 375 O LEU A 25 3.848 2.207 -8.018 1.00 0.00 O ATOM 376 CB LEU A 25 2.250 3.783 -5.457 1.00 0.00 C ATOM 377 CG LEU A 25 2.072 4.826 -6.572 1.00 0.00 C ATOM 378 CD1 LEU A 25 1.085 4.320 -7.627 1.00 0.00 C ATOM 379 CD2 LEU A 25 1.557 6.128 -5.949 1.00 0.00 C ATOM 0 H LEU A 25 3.594 2.644 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 25 2.406 1.778 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.261 3.443 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.696 4.281 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 25 3.029 5.003 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.971 5.071 -8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.462 3.396 -8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.118 4.133 -7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.426 6.878 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.601 5.944 -5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.277 6.490 -5.215 1.00 0.00 H new ATOM 391 N ASP A 26 5.177 3.475 -6.716 1.00 0.00 N ATOM 392 CA ASP A 26 6.175 3.758 -7.732 1.00 0.00 C ATOM 393 C ASP A 26 6.597 2.475 -8.444 1.00 0.00 C ATOM 394 O ASP A 26 6.316 2.298 -9.629 1.00 0.00 O ATOM 395 CB ASP A 26 7.384 4.453 -7.088 1.00 0.00 C ATOM 396 CG ASP A 26 7.091 5.876 -6.632 1.00 0.00 C ATOM 397 OD1 ASP A 26 5.952 6.108 -6.171 1.00 0.00 O ATOM 398 OD2 ASP A 26 8.033 6.695 -6.697 1.00 0.00 O ATOM 0 H ASP A 26 5.390 3.892 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 26 5.744 4.425 -8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.718 3.866 -6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.207 4.470 -7.803 1.00 0.00 H new ATOM 403 N GLN A 27 7.242 1.558 -7.713 1.00 0.00 N ATOM 404 CA GLN A 27 7.680 0.301 -8.308 1.00 0.00 C ATOM 405 C GLN A 27 6.496 -0.442 -8.930 1.00 0.00 C ATOM 406 O GLN A 27 6.615 -0.980 -10.024 1.00 0.00 O ATOM 407 CB GLN A 27 8.408 -0.585 -7.291 1.00 0.00 C ATOM 408 CG GLN A 27 9.926 -0.367 -7.313 1.00 0.00 C ATOM 409 CD GLN A 27 10.579 -0.979 -8.551 1.00 0.00 C ATOM 410 OE1 GLN A 27 11.147 -0.269 -9.374 1.00 0.00 O ATOM 411 NE2 GLN A 27 10.494 -2.298 -8.708 1.00 0.00 N ATOM 0 H GLN A 27 7.467 1.664 -6.724 1.00 0.00 H new ATOM 0 HA GLN A 27 8.392 0.540 -9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.027 -0.376 -6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.190 -1.632 -7.502 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.138 0.702 -7.283 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.367 -0.805 -6.418 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.016 -2.865 -8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.907 -2.742 -9.528 1.00 0.00 H new ATOM 420 N ALA A 28 5.352 -0.476 -8.248 1.00 0.00 N ATOM 421 CA ALA A 28 4.180 -1.162 -8.763 1.00 0.00 C ATOM 422 C ALA A 28 3.830 -0.677 -10.170 1.00 0.00 C ATOM 423 O ALA A 28 3.828 -1.470 -11.115 1.00 0.00 O ATOM 424 CB ALA A 28 3.015 -0.979 -7.794 1.00 0.00 C ATOM 0 H ALA A 28 5.217 -0.035 -7.338 1.00 0.00 H new ATOM 0 HA ALA A 28 4.397 -2.227 -8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.136 -1.494 -8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.281 -1.395 -6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.795 0.083 -7.686 1.00 0.00 H new ATOM 430 N GLU A 29 3.548 0.617 -10.328 1.00 0.00 N ATOM 431 CA GLU A 29 3.239 1.161 -11.637 1.00 0.00 C ATOM 432 C GLU A 29 4.410 0.923 -12.600 1.00 0.00 C ATOM 433 O GLU A 29 4.168 0.611 -13.763 1.00 0.00 O ATOM 434 CB GLU A 29 2.841 2.644 -11.574 1.00 0.00 C ATOM 435 CG GLU A 29 1.358 2.828 -11.222 1.00 0.00 C ATOM 436 CD GLU A 29 0.901 4.262 -11.466 1.00 0.00 C ATOM 437 OE1 GLU A 29 1.545 5.176 -10.914 1.00 0.00 O ATOM 438 OE2 GLU A 29 -0.078 4.441 -12.226 1.00 0.00 O ATOM 0 H GLU A 29 3.529 1.297 -9.568 1.00 0.00 H new ATOM 0 HA GLU A 29 2.367 0.632 -12.021 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.456 3.153 -10.831 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.047 3.115 -12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.754 2.145 -11.819 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.196 2.566 -10.177 1.00 0.00 H new ATOM 445 N GLU A 30 5.663 1.001 -12.130 1.00 0.00 N ATOM 446 CA GLU A 30 6.820 0.614 -12.939 1.00 0.00 C ATOM 447 C GLU A 30 6.705 -0.807 -13.491 1.00 0.00 C ATOM 448 O GLU A 30 7.074 -1.052 -14.639 1.00 0.00 O ATOM 449 CB GLU A 30 8.152 0.876 -12.222 1.00 0.00 C ATOM 450 CG GLU A 30 8.386 2.367 -11.918 1.00 0.00 C ATOM 451 CD GLU A 30 9.231 3.049 -12.988 1.00 0.00 C ATOM 452 OE1 GLU A 30 10.467 2.870 -12.931 1.00 0.00 O ATOM 453 OE2 GLU A 30 8.633 3.730 -13.848 1.00 0.00 O ATOM 0 H GLU A 30 5.898 1.329 -11.193 1.00 0.00 H new ATOM 0 HA GLU A 30 6.817 1.268 -13.811 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.174 0.313 -11.289 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.970 0.503 -12.838 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.425 2.875 -11.839 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.879 2.465 -10.951 1.00 0.00 H new ATOM 460 N GLU A 31 6.169 -1.745 -12.710 1.00 0.00 N ATOM 461 CA GLU A 31 5.968 -3.112 -13.189 1.00 0.00 C ATOM 462 C GLU A 31 4.744 -3.171 -14.102 1.00 0.00 C ATOM 463 O GLU A 31 4.642 -4.035 -14.971 1.00 0.00 O ATOM 464 CB GLU A 31 5.837 -4.074 -12.005 1.00 0.00 C ATOM 465 CG GLU A 31 6.996 -3.844 -11.021 1.00 0.00 C ATOM 466 CD GLU A 31 7.838 -5.096 -10.713 1.00 0.00 C ATOM 467 OE1 GLU A 31 7.946 -5.957 -11.613 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.343 -5.215 -9.572 1.00 0.00 O ATOM 0 H GLU A 31 5.868 -1.585 -11.749 1.00 0.00 H new ATOM 0 HA GLU A 31 6.835 -3.422 -13.772 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.883 -3.918 -11.501 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.846 -5.105 -12.359 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.651 -3.073 -11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.590 -3.457 -10.086 1.00 0.00 H new ATOM 475 N GLY A 32 3.813 -2.243 -13.883 1.00 0.00 N ATOM 476 CA GLY A 32 2.588 -2.069 -14.651 1.00 0.00 C ATOM 477 C GLY A 32 1.356 -2.299 -13.781 1.00 0.00 C ATOM 478 O GLY A 32 0.252 -2.443 -14.301 1.00 0.00 O ATOM 0 H GLY A 32 3.900 -1.562 -13.129 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.558 -1.063 -15.070 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.579 -2.765 -15.490 1.00 0.00 H new ATOM 482 N ILE A 33 1.534 -2.356 -12.460 1.00 0.00 N ATOM 483 CA ILE A 33 0.435 -2.575 -11.536 1.00 0.00 C ATOM 484 C ILE A 33 -0.425 -1.317 -11.398 1.00 0.00 C ATOM 485 O ILE A 33 0.072 -0.266 -11.007 1.00 0.00 O ATOM 486 CB ILE A 33 1.012 -2.978 -10.178 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.726 -4.327 -10.287 1.00 0.00 C ATOM 488 CG2 ILE A 33 -0.069 -2.926 -9.096 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.471 -4.762 -9.027 1.00 0.00 C ATOM 0 H ILE A 33 2.443 -2.251 -12.008 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.205 -3.370 -11.919 1.00 0.00 H new ATOM 0 HB ILE A 33 1.771 -2.260 -9.868 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.991 -5.091 -10.540 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.435 -4.281 -11.114 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.361 -3.216 -8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.464 -1.913 -9.025 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.875 -3.612 -9.354 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.945 -5.728 -9.200 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.233 -4.023 -8.782 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.767 -4.846 -8.199 1.00 0.00 H new ATOM 501 N ASP A 34 -1.730 -1.464 -11.632 1.00 0.00 N ATOM 502 CA ASP A 34 -2.741 -0.466 -11.314 1.00 0.00 C ATOM 503 C ASP A 34 -3.264 -0.719 -9.901 1.00 0.00 C ATOM 504 O ASP A 34 -3.775 -1.805 -9.618 1.00 0.00 O ATOM 505 CB ASP A 34 -3.860 -0.562 -12.359 1.00 0.00 C ATOM 506 CG ASP A 34 -4.941 0.502 -12.177 1.00 0.00 C ATOM 507 OD1 ASP A 34 -5.420 0.660 -11.033 1.00 0.00 O ATOM 508 OD2 ASP A 34 -5.282 1.137 -13.197 1.00 0.00 O ATOM 0 H ASP A 34 -2.119 -2.305 -12.059 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.325 0.541 -11.342 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.428 -0.466 -13.355 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.317 -1.550 -12.303 1.00 0.00 H new ATOM 513 N ILE A 35 -3.104 0.261 -9.006 1.00 0.00 N ATOM 514 CA ILE A 35 -3.736 0.284 -7.701 1.00 0.00 C ATOM 515 C ILE A 35 -4.233 1.708 -7.452 1.00 0.00 C ATOM 516 O ILE A 35 -3.705 2.627 -8.073 1.00 0.00 O ATOM 517 CB ILE A 35 -2.738 -0.184 -6.633 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.387 0.553 -6.713 1.00 0.00 C ATOM 519 CG2 ILE A 35 -2.603 -1.705 -6.716 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.405 0.063 -5.649 1.00 0.00 C ATOM 0 H ILE A 35 -2.516 1.076 -9.182 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.585 -0.398 -7.655 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.125 0.076 -5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.953 0.408 -7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.550 1.624 -6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.896 -2.049 -5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.575 -2.167 -6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.242 -1.985 -7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.534 0.609 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.827 0.232 -4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.220 -1.002 -5.787 1.00 0.00 H new ATOM 532 N PRO A 36 -5.243 1.921 -6.590 1.00 0.00 N ATOM 533 CA PRO A 36 -5.848 3.226 -6.429 1.00 0.00 C ATOM 534 C PRO A 36 -4.843 4.192 -5.808 1.00 0.00 C ATOM 535 O PRO A 36 -4.291 3.896 -4.752 1.00 0.00 O ATOM 536 CB PRO A 36 -7.096 3.046 -5.559 1.00 0.00 C ATOM 537 CG PRO A 36 -7.031 1.619 -5.017 1.00 0.00 C ATOM 538 CD PRO A 36 -5.915 0.921 -5.789 1.00 0.00 C ATOM 0 HA PRO A 36 -6.139 3.655 -7.388 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.112 3.772 -4.746 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.004 3.201 -6.142 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.824 1.618 -3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.982 1.105 -5.158 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.214 0.446 -5.103 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -6.323 0.134 -6.423 1.00 0.00 H new ATOM 546 N TYR A 37 -4.614 5.330 -6.469 1.00 0.00 N ATOM 547 CA TYR A 37 -3.661 6.345 -6.047 1.00 0.00 C ATOM 548 C TYR A 37 -4.168 7.720 -6.495 1.00 0.00 C ATOM 549 O TYR A 37 -3.601 8.403 -7.347 1.00 0.00 O ATOM 550 CB TYR A 37 -2.249 5.999 -6.544 1.00 0.00 C ATOM 551 CG TYR A 37 -1.960 6.238 -8.018 1.00 0.00 C ATOM 552 CD1 TYR A 37 -2.690 5.570 -9.017 1.00 0.00 C ATOM 553 CD2 TYR A 37 -1.014 7.212 -8.389 1.00 0.00 C ATOM 554 CE1 TYR A 37 -2.411 5.805 -10.372 1.00 0.00 C ATOM 555 CE2 TYR A 37 -0.751 7.465 -9.745 1.00 0.00 C ATOM 556 CZ TYR A 37 -1.409 6.717 -10.733 1.00 0.00 C ATOM 557 OH TYR A 37 -1.054 6.852 -12.038 1.00 0.00 O ATOM 0 H TYR A 37 -5.101 5.571 -7.332 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.581 6.376 -4.960 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.533 6.577 -5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -2.062 4.947 -6.328 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.468 4.874 -8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.488 7.768 -7.627 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.968 5.284 -11.137 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.045 8.232 -10.026 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.541 6.066 -12.321 1.00 0.00 H new ATOM 567 N SER A 38 -5.310 8.131 -5.944 1.00 0.00 N ATOM 568 CA SER A 38 -5.942 9.390 -6.304 1.00 0.00 C ATOM 569 C SER A 38 -5.035 10.601 -6.049 1.00 0.00 C ATOM 570 O SER A 38 -5.190 11.624 -6.716 1.00 0.00 O ATOM 571 CB SER A 38 -7.275 9.503 -5.565 1.00 0.00 C ATOM 572 OG SER A 38 -8.030 8.328 -5.798 1.00 0.00 O ATOM 0 H SER A 38 -5.818 7.599 -5.238 1.00 0.00 H new ATOM 0 HA SER A 38 -6.126 9.393 -7.378 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.104 9.635 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.824 10.379 -5.910 1.00 0.00 H new ATOM 0 HG SER A 38 -8.887 8.391 -5.326 1.00 0.00 H new ATOM 578 N CYS A 39 -4.065 10.477 -5.141 1.00 0.00 N ATOM 579 CA CYS A 39 -2.977 11.406 -4.904 1.00 0.00 C ATOM 580 C CYS A 39 -1.652 10.672 -5.112 1.00 0.00 C ATOM 581 O CYS A 39 -1.626 9.459 -5.303 1.00 0.00 O ATOM 582 CB CYS A 39 -3.077 12.081 -3.558 1.00 0.00 C ATOM 583 SG CYS A 39 -2.223 11.311 -2.153 1.00 0.00 S ATOM 0 H CYS A 39 -4.023 9.672 -4.516 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.038 12.223 -5.623 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.696 13.097 -3.665 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.134 12.162 -3.303 1.00 0.00 H new ATOM 588 N ARG A 40 -0.565 11.441 -5.175 1.00 0.00 N ATOM 589 CA ARG A 40 0.781 10.941 -5.389 1.00 0.00 C ATOM 590 C ARG A 40 1.748 11.956 -4.782 1.00 0.00 C ATOM 591 O ARG A 40 2.457 12.667 -5.490 1.00 0.00 O ATOM 592 CB ARG A 40 1.034 10.633 -6.872 1.00 0.00 C ATOM 593 CG ARG A 40 0.774 11.793 -7.849 1.00 0.00 C ATOM 594 CD ARG A 40 -0.407 11.533 -8.802 1.00 0.00 C ATOM 595 NE ARG A 40 -1.719 11.870 -8.219 1.00 0.00 N ATOM 596 CZ ARG A 40 -2.219 13.118 -8.173 1.00 0.00 C ATOM 597 NH1 ARG A 40 -1.423 14.155 -8.452 1.00 0.00 N ATOM 598 NH2 ARG A 40 -3.495 13.344 -7.856 1.00 0.00 N ATOM 0 H ARG A 40 -0.604 12.455 -5.075 1.00 0.00 H new ATOM 0 HA ARG A 40 0.934 9.984 -4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.069 10.312 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.405 9.791 -7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.579 12.702 -7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.674 11.972 -8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.263 12.114 -9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.406 10.482 -9.091 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.280 11.113 -7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.446 13.996 -8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.793 15.105 -8.420 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.114 12.562 -7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.852 14.299 -7.827 1.00 0.00 H new ATOM 612 N ALA A 41 1.702 12.058 -3.455 1.00 0.00 N ATOM 613 CA ALA A 41 2.493 12.967 -2.644 1.00 0.00 C ATOM 614 C ALA A 41 2.380 12.545 -1.178 1.00 0.00 C ATOM 615 O ALA A 41 3.375 12.163 -0.575 1.00 0.00 O ATOM 616 CB ALA A 41 2.028 14.414 -2.847 1.00 0.00 C ATOM 0 H ALA A 41 1.079 11.478 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 41 3.539 12.919 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.632 15.080 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.140 14.688 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.981 14.504 -2.558 1.00 0.00 H new ATOM 622 N GLY A 42 1.165 12.604 -0.619 1.00 0.00 N ATOM 623 CA GLY A 42 0.894 12.248 0.770 1.00 0.00 C ATOM 624 C GLY A 42 -0.048 13.249 1.430 1.00 0.00 C ATOM 625 O GLY A 42 0.286 13.809 2.471 1.00 0.00 O ATOM 0 H GLY A 42 0.335 12.905 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.455 11.251 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.831 12.207 1.326 1.00 0.00 H new ATOM 629 N SER A 43 -1.227 13.474 0.841 1.00 0.00 N ATOM 630 CA SER A 43 -2.237 14.392 1.364 1.00 0.00 C ATOM 631 C SER A 43 -3.555 14.168 0.620 1.00 0.00 C ATOM 632 O SER A 43 -3.839 14.885 -0.337 1.00 0.00 O ATOM 633 CB SER A 43 -1.789 15.856 1.201 1.00 0.00 C ATOM 634 OG SER A 43 -0.866 16.255 2.196 1.00 0.00 O ATOM 0 H SER A 43 -1.508 13.015 -0.026 1.00 0.00 H new ATOM 0 HA SER A 43 -2.372 14.195 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.337 15.987 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.663 16.506 1.239 1.00 0.00 H new ATOM 0 HG SER A 43 -0.406 15.466 2.551 1.00 0.00 H new ATOM 640 N CYS A 44 -4.361 13.211 1.084 1.00 0.00 N ATOM 641 CA CYS A 44 -5.721 12.985 0.611 1.00 0.00 C ATOM 642 C CYS A 44 -6.562 12.455 1.775 1.00 0.00 C ATOM 643 O CYS A 44 -6.123 12.502 2.925 1.00 0.00 O ATOM 644 CB CYS A 44 -5.727 12.048 -0.575 1.00 0.00 C ATOM 645 SG CYS A 44 -5.604 10.282 -0.189 1.00 0.00 S ATOM 0 H CYS A 44 -4.077 12.559 1.815 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.159 13.921 0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.645 12.214 -1.140 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.897 12.316 -1.229 1.00 0.00 H new ATOM 650 N SER A 45 -7.769 11.971 1.484 1.00 0.00 N ATOM 651 CA SER A 45 -8.628 11.285 2.436 1.00 0.00 C ATOM 652 C SER A 45 -9.511 10.316 1.654 1.00 0.00 C ATOM 653 O SER A 45 -10.728 10.491 1.574 1.00 0.00 O ATOM 654 CB SER A 45 -9.432 12.298 3.260 1.00 0.00 C ATOM 655 OG SER A 45 -10.250 13.085 2.416 1.00 0.00 O ATOM 0 H SER A 45 -8.183 12.049 0.555 1.00 0.00 H new ATOM 0 HA SER A 45 -8.042 10.715 3.157 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.050 11.774 3.989 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.753 12.941 3.820 1.00 0.00 H new ATOM 0 HG SER A 45 -10.850 12.502 1.906 1.00 0.00 H new ATOM 661 N SER A 46 -8.871 9.347 1.010 1.00 0.00 N ATOM 662 CA SER A 46 -9.423 8.295 0.169 1.00 0.00 C ATOM 663 C SER A 46 -8.302 7.256 0.059 1.00 0.00 C ATOM 664 O SER A 46 -7.266 7.479 0.673 1.00 0.00 O ATOM 665 CB SER A 46 -9.782 8.872 -1.209 1.00 0.00 C ATOM 666 OG SER A 46 -10.790 9.862 -1.110 1.00 0.00 O ATOM 0 H SER A 46 -7.856 9.272 1.070 1.00 0.00 H new ATOM 0 HA SER A 46 -10.335 7.858 0.575 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.892 9.302 -1.668 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.122 8.069 -1.864 1.00 0.00 H new ATOM 0 HG SER A 46 -10.961 10.062 -0.166 1.00 0.00 H new ATOM 672 N CYS A 47 -8.496 6.176 -0.709 1.00 0.00 N ATOM 673 CA CYS A 47 -7.513 5.115 -0.958 1.00 0.00 C ATOM 674 C CYS A 47 -7.351 4.183 0.249 1.00 0.00 C ATOM 675 O CYS A 47 -7.996 4.398 1.274 1.00 0.00 O ATOM 676 CB CYS A 47 -6.189 5.661 -1.447 1.00 0.00 C ATOM 677 SG CYS A 47 -4.903 5.875 -0.175 1.00 0.00 S ATOM 0 H CYS A 47 -9.378 6.011 -1.193 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.911 4.506 -1.769 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.804 4.993 -2.217 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.368 6.626 -1.922 1.00 0.00 H new ATOM 682 N ALA A 48 -6.518 3.142 0.087 1.00 0.00 N ATOM 683 CA ALA A 48 -5.978 2.232 1.100 1.00 0.00 C ATOM 684 C ALA A 48 -5.924 0.779 0.629 1.00 0.00 C ATOM 685 O ALA A 48 -6.546 0.399 -0.370 1.00 0.00 O ATOM 686 CB ALA A 48 -6.674 2.328 2.464 1.00 0.00 C ATOM 0 H ALA A 48 -6.177 2.897 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.955 2.579 1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.215 1.623 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.570 3.340 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.732 2.089 2.350 1.00 0.00 H new ATOM 692 N GLY A 49 -5.204 -0.040 1.404 1.00 0.00 N ATOM 693 CA GLY A 49 -5.208 -1.487 1.336 1.00 0.00 C ATOM 694 C GLY A 49 -5.095 -2.104 2.731 1.00 0.00 C ATOM 695 O GLY A 49 -4.698 -1.423 3.675 1.00 0.00 O ATOM 0 H GLY A 49 -4.577 0.315 2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.125 -1.829 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.379 -1.827 0.716 1.00 0.00 H new ATOM 699 N LYS A 50 -5.461 -3.385 2.861 1.00 0.00 N ATOM 700 CA LYS A 50 -5.491 -4.154 4.092 1.00 0.00 C ATOM 701 C LYS A 50 -4.211 -4.976 4.248 1.00 0.00 C ATOM 702 O LYS A 50 -3.995 -5.911 3.487 1.00 0.00 O ATOM 703 CB LYS A 50 -6.728 -5.059 4.043 1.00 0.00 C ATOM 704 CG LYS A 50 -7.219 -5.431 5.445 1.00 0.00 C ATOM 705 CD LYS A 50 -8.737 -5.614 5.436 1.00 0.00 C ATOM 706 CE LYS A 50 -9.287 -5.388 6.853 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.760 -5.236 6.845 1.00 0.00 N ATOM 0 H LYS A 50 -5.760 -3.937 2.057 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.548 -3.491 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.527 -4.553 3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.492 -5.967 3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.736 -6.350 5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.943 -4.651 6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.195 -4.911 4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.991 -6.616 5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.010 -6.228 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.830 -4.497 7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.127 -5.356 7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.009 -4.289 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.180 -5.956 6.223 1.00 0.00 H new ATOM 721 N VAL A 51 -3.358 -4.636 5.211 1.00 0.00 N ATOM 722 CA VAL A 51 -2.149 -5.368 5.558 1.00 0.00 C ATOM 723 C VAL A 51 -2.542 -6.783 6.003 1.00 0.00 C ATOM 724 O VAL A 51 -3.146 -6.956 7.059 1.00 0.00 O ATOM 725 CB VAL A 51 -1.386 -4.623 6.682 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.001 -5.224 6.939 1.00 0.00 C ATOM 727 CG2 VAL A 51 -1.182 -3.134 6.376 1.00 0.00 C ATOM 0 H VAL A 51 -3.498 -3.810 5.792 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.488 -5.437 4.694 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.019 -4.736 7.562 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.495 -4.668 7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.107 -6.267 7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.596 -5.165 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.642 -2.664 7.198 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.607 -3.027 5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.152 -2.651 6.256 1.00 0.00 H new ATOM 737 N VAL A 52 -2.203 -7.793 5.201 1.00 0.00 N ATOM 738 CA VAL A 52 -2.432 -9.194 5.516 1.00 0.00 C ATOM 739 C VAL A 52 -1.287 -9.700 6.390 1.00 0.00 C ATOM 740 O VAL A 52 -1.525 -10.369 7.393 1.00 0.00 O ATOM 741 CB VAL A 52 -2.542 -10.008 4.216 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.668 -11.514 4.479 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.742 -9.541 3.387 1.00 0.00 C ATOM 0 H VAL A 52 -1.753 -7.652 4.297 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.367 -9.309 6.064 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.618 -9.836 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.743 -12.044 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.790 -11.863 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.561 -11.706 5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.803 -10.129 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.657 -9.673 3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.622 -8.488 3.134 1.00 0.00 H new ATOM 753 N SER A 53 -0.038 -9.417 6.001 1.00 0.00 N ATOM 754 CA SER A 53 1.131 -9.842 6.759 1.00 0.00 C ATOM 755 C SER A 53 2.340 -9.014 6.354 1.00 0.00 C ATOM 756 O SER A 53 2.266 -8.257 5.389 1.00 0.00 O ATOM 757 CB SER A 53 1.413 -11.330 6.530 1.00 0.00 C ATOM 758 OG SER A 53 2.361 -11.785 7.478 1.00 0.00 O ATOM 0 H SER A 53 0.184 -8.890 5.156 1.00 0.00 H new ATOM 0 HA SER A 53 0.931 -9.689 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.490 -11.903 6.619 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.790 -11.488 5.519 1.00 0.00 H new ATOM 0 HG SER A 53 2.539 -12.737 7.331 1.00 0.00 H new ATOM 764 N GLY A 54 3.449 -9.190 7.074 1.00 0.00 N ATOM 765 CA GLY A 54 4.635 -8.354 6.973 1.00 0.00 C ATOM 766 C GLY A 54 4.354 -6.951 7.513 1.00 0.00 C ATOM 767 O GLY A 54 3.390 -6.743 8.252 1.00 0.00 O ATOM 0 H GLY A 54 3.545 -9.939 7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.454 -8.807 7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.955 -8.292 5.933 1.00 0.00 H new ATOM 771 N SER A 55 5.199 -5.975 7.171 1.00 0.00 N ATOM 772 CA SER A 55 5.028 -4.593 7.577 1.00 0.00 C ATOM 773 C SER A 55 5.751 -3.686 6.586 1.00 0.00 C ATOM 774 O SER A 55 6.706 -4.117 5.932 1.00 0.00 O ATOM 775 CB SER A 55 5.594 -4.378 8.983 1.00 0.00 C ATOM 776 OG SER A 55 5.066 -5.312 9.906 1.00 0.00 O ATOM 0 H SER A 55 6.028 -6.132 6.598 1.00 0.00 H new ATOM 0 HA SER A 55 3.965 -4.352 7.589 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.680 -4.467 8.956 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.365 -3.366 9.317 1.00 0.00 H new ATOM 0 HG SER A 55 5.449 -5.148 10.793 1.00 0.00 H new ATOM 782 N ILE A 56 5.296 -2.436 6.507 1.00 0.00 N ATOM 783 CA ILE A 56 5.885 -1.363 5.732 1.00 0.00 C ATOM 784 C ILE A 56 5.908 -0.121 6.616 1.00 0.00 C ATOM 785 O ILE A 56 5.214 -0.092 7.634 1.00 0.00 O ATOM 786 CB ILE A 56 5.073 -1.125 4.450 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.645 -0.617 4.689 1.00 0.00 C ATOM 788 CG2 ILE A 56 4.992 -2.397 3.609 1.00 0.00 C ATOM 789 CD1 ILE A 56 2.943 -0.388 3.342 1.00 0.00 C ATOM 0 H ILE A 56 4.462 -2.137 7.012 1.00 0.00 H new ATOM 0 HA ILE A 56 6.899 -1.615 5.423 1.00 0.00 H new ATOM 0 HB ILE A 56 5.617 -0.340 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.086 -1.341 5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.670 0.312 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.412 -2.201 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.997 -2.714 3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.509 -3.185 4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.929 -0.027 3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.497 0.352 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.904 -1.326 2.788 1.00 0.00 H new ATOM 801 N ASP A 57 6.664 0.898 6.208 1.00 0.00 N ATOM 802 CA ASP A 57 6.682 2.195 6.851 1.00 0.00 C ATOM 803 C ASP A 57 5.921 3.143 5.940 1.00 0.00 C ATOM 804 O ASP A 57 6.377 3.429 4.833 1.00 0.00 O ATOM 805 CB ASP A 57 8.128 2.666 7.049 1.00 0.00 C ATOM 806 CG ASP A 57 8.175 4.107 7.540 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.113 4.588 7.997 1.00 0.00 O ATOM 808 OD2 ASP A 57 9.263 4.710 7.459 1.00 0.00 O ATOM 0 H ASP A 57 7.290 0.835 5.405 1.00 0.00 H new ATOM 0 HA ASP A 57 6.219 2.157 7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.629 2.018 7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.673 2.581 6.109 1.00 0.00 H new ATOM 813 N GLN A 58 4.748 3.593 6.386 1.00 0.00 N ATOM 814 CA GLN A 58 3.999 4.635 5.718 1.00 0.00 C ATOM 815 C GLN A 58 4.061 5.961 6.486 1.00 0.00 C ATOM 816 O GLN A 58 3.106 6.726 6.420 1.00 0.00 O ATOM 817 CB GLN A 58 2.569 4.131 5.506 1.00 0.00 C ATOM 818 CG GLN A 58 1.974 3.532 6.773 1.00 0.00 C ATOM 819 CD GLN A 58 0.459 3.378 6.709 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.234 3.819 5.795 1.00 0.00 O ATOM 821 NE2 GLN A 58 -0.070 2.660 7.680 1.00 0.00 N ATOM 0 H GLN A 58 4.295 3.236 7.228 1.00 0.00 H new ATOM 0 HA GLN A 58 4.442 4.853 4.746 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.942 4.956 5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.564 3.381 4.715 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.425 2.556 6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.233 4.164 7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.521 2.302 8.430 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.071 2.462 7.681 1.00 0.00 H new ATOM 830 N SER A 59 5.150 6.271 7.200 1.00 0.00 N ATOM 831 CA SER A 59 5.279 7.502 7.986 1.00 0.00 C ATOM 832 C SER A 59 5.555 8.727 7.103 1.00 0.00 C ATOM 833 O SER A 59 6.561 9.411 7.281 1.00 0.00 O ATOM 834 CB SER A 59 6.385 7.338 9.035 1.00 0.00 C ATOM 835 OG SER A 59 6.144 6.186 9.817 1.00 0.00 O ATOM 0 H SER A 59 5.972 5.669 7.248 1.00 0.00 H new ATOM 0 HA SER A 59 4.326 7.676 8.486 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.354 7.257 8.543 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.424 8.220 9.675 1.00 0.00 H new ATOM 0 HG SER A 59 6.287 5.385 9.271 1.00 0.00 H new ATOM 841 N ASP A 60 4.649 8.988 6.161 1.00 0.00 N ATOM 842 CA ASP A 60 4.767 10.009 5.120 1.00 0.00 C ATOM 843 C ASP A 60 3.419 10.704 4.863 1.00 0.00 C ATOM 844 O ASP A 60 3.349 11.919 4.684 1.00 0.00 O ATOM 845 CB ASP A 60 5.317 9.332 3.851 1.00 0.00 C ATOM 846 CG ASP A 60 5.920 10.298 2.836 1.00 0.00 C ATOM 847 OD1 ASP A 60 5.826 11.522 3.053 1.00 0.00 O ATOM 848 OD2 ASP A 60 6.504 9.783 1.858 1.00 0.00 O ATOM 0 H ASP A 60 3.773 8.470 6.100 1.00 0.00 H new ATOM 0 HA ASP A 60 5.453 10.793 5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.077 8.606 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.511 8.776 3.372 1.00 0.00 H new ATOM 853 N GLN A 61 2.320 9.940 4.859 1.00 0.00 N ATOM 854 CA GLN A 61 0.984 10.434 4.561 1.00 0.00 C ATOM 855 C GLN A 61 0.389 11.254 5.710 1.00 0.00 C ATOM 856 O GLN A 61 1.000 11.441 6.760 1.00 0.00 O ATOM 857 CB GLN A 61 0.100 9.236 4.157 1.00 0.00 C ATOM 858 CG GLN A 61 -0.790 8.547 5.217 1.00 0.00 C ATOM 859 CD GLN A 61 -0.069 8.055 6.470 1.00 0.00 C ATOM 860 OE1 GLN A 61 1.045 8.459 6.765 1.00 0.00 O ATOM 861 NE2 GLN A 61 -0.712 7.194 7.250 1.00 0.00 N ATOM 0 H GLN A 61 2.343 8.942 5.068 1.00 0.00 H new ATOM 0 HA GLN A 61 1.036 11.133 3.727 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.554 9.571 3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.757 8.474 3.738 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.569 9.246 5.520 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.288 7.697 4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.642 6.866 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.276 6.861 8.110 1.00 0.00 H new ATOM 870 N SER A 62 -0.857 11.696 5.526 1.00 0.00 N ATOM 871 CA SER A 62 -1.656 12.294 6.580 1.00 0.00 C ATOM 872 C SER A 62 -3.121 11.923 6.344 1.00 0.00 C ATOM 873 O SER A 62 -3.890 12.751 5.858 1.00 0.00 O ATOM 874 CB SER A 62 -1.423 13.811 6.592 1.00 0.00 C ATOM 875 OG SER A 62 -1.800 14.378 5.353 1.00 0.00 O ATOM 0 H SER A 62 -1.338 11.645 4.628 1.00 0.00 H new ATOM 0 HA SER A 62 -1.368 11.918 7.562 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.998 14.267 7.398 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.372 14.022 6.791 1.00 0.00 H new ATOM 0 HG SER A 62 -2.675 14.027 5.085 1.00 0.00 H new ATOM 881 N PHE A 63 -3.492 10.675 6.645 1.00 0.00 N ATOM 882 CA PHE A 63 -4.862 10.198 6.501 1.00 0.00 C ATOM 883 C PHE A 63 -5.137 9.038 7.456 1.00 0.00 C ATOM 884 O PHE A 63 -5.823 9.262 8.448 1.00 0.00 O ATOM 885 CB PHE A 63 -5.191 9.856 5.042 1.00 0.00 C ATOM 886 CG PHE A 63 -6.499 9.129 4.806 1.00 0.00 C ATOM 887 CD1 PHE A 63 -7.631 9.349 5.621 1.00 0.00 C ATOM 888 CD2 PHE A 63 -6.570 8.191 3.761 1.00 0.00 C ATOM 889 CE1 PHE A 63 -8.800 8.597 5.421 1.00 0.00 C ATOM 890 CE2 PHE A 63 -7.721 7.415 3.596 1.00 0.00 C ATOM 891 CZ PHE A 63 -8.851 7.642 4.396 1.00 0.00 C ATOM 0 H PHE A 63 -2.845 9.969 6.996 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.536 11.008 6.781 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.205 10.782 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.382 9.245 4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.598 10.097 6.399 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.736 8.070 3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.659 8.754 6.056 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.741 6.636 2.848 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.758 7.082 4.223 1.00 0.00 H new ATOM 901 N LEU A 64 -4.659 7.816 7.162 1.00 0.00 N ATOM 902 CA LEU A 64 -5.134 6.651 7.902 1.00 0.00 C ATOM 903 C LEU A 64 -4.910 6.825 9.395 1.00 0.00 C ATOM 904 O LEU A 64 -3.838 7.270 9.807 1.00 0.00 O ATOM 905 CB LEU A 64 -4.489 5.322 7.485 1.00 0.00 C ATOM 906 CG LEU A 64 -5.022 4.755 6.162 1.00 0.00 C ATOM 907 CD1 LEU A 64 -4.309 5.358 4.949 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.806 3.241 6.187 1.00 0.00 C ATOM 0 H LEU A 64 -3.966 7.620 6.440 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.195 6.595 7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.412 5.464 7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.652 4.588 8.274 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.078 5.006 6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.719 4.928 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.457 6.438 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.243 5.138 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.175 2.805 5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.742 3.027 6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.347 2.810 7.030 1.00 0.00 H new ATOM 920 N ASP A 65 -5.910 6.445 10.182 1.00 0.00 N ATOM 921 CA ASP A 65 -5.861 6.616 11.623 1.00 0.00 C ATOM 922 C ASP A 65 -5.150 5.431 12.264 1.00 0.00 C ATOM 923 O ASP A 65 -5.008 4.368 11.651 1.00 0.00 O ATOM 924 CB ASP A 65 -7.274 6.766 12.198 1.00 0.00 C ATOM 925 CG ASP A 65 -8.099 7.823 11.477 1.00 0.00 C ATOM 926 OD1 ASP A 65 -8.693 7.451 10.442 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.124 8.969 11.974 1.00 0.00 O ATOM 0 H ASP A 65 -6.769 6.014 9.840 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.304 7.526 11.847 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.789 5.807 12.138 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.205 7.025 13.255 1.00 0.00 H new ATOM 932 N ASP A 66 -4.748 5.600 13.525 1.00 0.00 N ATOM 933 CA ASP A 66 -4.105 4.573 14.333 1.00 0.00 C ATOM 934 C ASP A 66 -4.965 3.322 14.295 1.00 0.00 C ATOM 935 O ASP A 66 -4.463 2.218 14.106 1.00 0.00 O ATOM 936 CB ASP A 66 -3.958 5.061 15.782 1.00 0.00 C ATOM 937 CG ASP A 66 -3.131 6.332 15.882 1.00 0.00 C ATOM 938 OD1 ASP A 66 -3.649 7.363 15.401 1.00 0.00 O ATOM 939 OD2 ASP A 66 -2.010 6.249 16.429 1.00 0.00 O ATOM 0 H ASP A 66 -4.866 6.482 14.023 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.113 4.356 13.938 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.947 5.239 16.205 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.492 4.279 16.381 1.00 0.00 H new ATOM 944 N GLU A 67 -6.277 3.530 14.443 1.00 0.00 N ATOM 945 CA GLU A 67 -7.281 2.492 14.399 1.00 0.00 C ATOM 946 C GLU A 67 -7.100 1.658 13.141 1.00 0.00 C ATOM 947 O GLU A 67 -6.832 0.469 13.220 1.00 0.00 O ATOM 948 CB GLU A 67 -8.691 3.099 14.445 1.00 0.00 C ATOM 949 CG GLU A 67 -8.782 4.449 15.155 1.00 0.00 C ATOM 950 CD GLU A 67 -10.219 4.757 15.562 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.113 4.478 14.734 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.400 5.238 16.700 1.00 0.00 O ATOM 0 H GLU A 67 -6.669 4.458 14.601 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.163 1.849 15.271 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.055 3.215 13.424 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.358 2.396 14.943 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.143 4.443 16.038 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.410 5.235 14.498 1.00 0.00 H new ATOM 959 N GLN A 68 -7.245 2.285 11.973 1.00 0.00 N ATOM 960 CA GLN A 68 -7.109 1.622 10.693 1.00 0.00 C ATOM 961 C GLN A 68 -5.770 0.890 10.586 1.00 0.00 C ATOM 962 O GLN A 68 -5.739 -0.286 10.225 1.00 0.00 O ATOM 963 CB GLN A 68 -7.280 2.653 9.586 1.00 0.00 C ATOM 964 CG GLN A 68 -8.699 3.217 9.627 1.00 0.00 C ATOM 965 CD GLN A 68 -8.838 4.425 8.730 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.857 5.069 8.375 1.00 0.00 O ATOM 967 NE2 GLN A 68 -10.061 4.706 8.322 1.00 0.00 N ATOM 0 H GLN A 68 -7.463 3.279 11.898 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.884 0.862 10.592 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.554 3.457 9.709 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.088 2.195 8.616 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.407 2.448 9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.954 3.491 10.651 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.848 4.142 8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.219 5.487 7.685 1.00 0.00 H new ATOM 976 N MET A 69 -4.658 1.565 10.892 1.00 0.00 N ATOM 977 CA MET A 69 -3.362 0.915 10.860 1.00 0.00 C ATOM 978 C MET A 69 -3.361 -0.370 11.698 1.00 0.00 C ATOM 979 O MET A 69 -3.155 -1.458 11.161 1.00 0.00 O ATOM 980 CB MET A 69 -2.273 1.889 11.307 1.00 0.00 C ATOM 981 CG MET A 69 -2.143 3.105 10.388 1.00 0.00 C ATOM 982 SD MET A 69 -0.663 4.088 10.741 1.00 0.00 S ATOM 983 CE MET A 69 -1.267 5.722 10.292 1.00 0.00 C ATOM 0 H MET A 69 -4.637 2.549 11.160 1.00 0.00 H new ATOM 0 HA MET A 69 -3.147 0.619 9.833 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.490 2.228 12.320 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.318 1.365 11.344 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.114 2.771 9.351 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.027 3.734 10.496 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.428 6.414 10.225 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.773 5.671 9.328 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.967 6.072 11.051 1.00 0.00 H new ATOM 993 N ASP A 70 -3.641 -0.243 12.999 1.00 0.00 N ATOM 994 CA ASP A 70 -3.661 -1.342 13.959 1.00 0.00 C ATOM 995 C ASP A 70 -4.596 -2.455 13.484 1.00 0.00 C ATOM 996 O ASP A 70 -4.270 -3.639 13.518 1.00 0.00 O ATOM 997 CB ASP A 70 -4.140 -0.805 15.312 1.00 0.00 C ATOM 998 CG ASP A 70 -4.074 -1.891 16.376 1.00 0.00 C ATOM 999 OD1 ASP A 70 -2.950 -2.138 16.862 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -5.147 -2.454 16.679 1.00 0.00 O ATOM 0 H ASP A 70 -3.866 0.657 13.422 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.657 -1.756 14.053 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.523 0.042 15.611 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.163 -0.439 15.222 1.00 0.00 H new ATOM 1005 N ALA A 71 -5.757 -2.031 12.989 1.00 0.00 N ATOM 1006 CA ALA A 71 -6.825 -2.880 12.491 1.00 0.00 C ATOM 1007 C ALA A 71 -6.384 -3.702 11.282 1.00 0.00 C ATOM 1008 O ALA A 71 -7.012 -4.715 10.974 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.022 -2.002 12.127 1.00 0.00 C ATOM 0 H ALA A 71 -5.984 -1.039 12.923 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.100 -3.587 13.274 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.831 -2.628 11.751 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.361 -1.463 13.012 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.729 -1.288 11.358 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.332 -3.269 10.583 1.00 0.00 N ATOM 1016 CA GLY A 72 -4.719 -4.018 9.511 1.00 0.00 C ATOM 1017 C GLY A 72 -4.835 -3.271 8.196 1.00 0.00 C ATOM 1018 O GLY A 72 -4.976 -3.926 7.174 1.00 0.00 O ATOM 0 H GLY A 72 -4.883 -2.370 10.758 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.669 -4.197 9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.197 -4.994 9.423 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.792 -1.935 8.181 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.854 -1.144 6.955 1.00 0.00 C ATOM 1024 C TYR A 73 -3.602 -0.294 6.734 1.00 0.00 C ATOM 1025 O TYR A 73 -2.774 -0.138 7.626 1.00 0.00 O ATOM 1026 CB TYR A 73 -6.107 -0.287 6.964 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.361 -1.126 6.943 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.781 -1.693 5.728 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.205 -1.174 8.064 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -9.091 -2.170 5.599 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.519 -1.645 7.928 1.00 0.00 C ATOM 1032 CZ TYR A 73 -9.991 -2.055 6.672 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.239 -2.594 6.568 1.00 0.00 O ATOM 0 H TYR A 73 -4.713 -1.371 9.027 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.897 -1.837 6.115 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.108 0.346 7.852 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.099 0.377 6.099 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.095 -1.761 4.896 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.843 -0.849 9.028 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.410 -2.627 4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.168 -1.692 8.790 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.893 -1.879 6.418 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.447 0.238 5.521 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.276 0.997 5.105 1.00 0.00 C ATOM 1045 C VAL A 74 -2.658 1.785 3.851 1.00 0.00 C ATOM 1046 O VAL A 74 -3.599 1.379 3.174 1.00 0.00 O ATOM 1047 CB VAL A 74 -1.142 -0.007 4.849 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -1.114 -0.556 3.427 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.227 0.517 5.241 1.00 0.00 C ATOM 0 H VAL A 74 -4.150 0.149 4.787 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.936 1.707 5.859 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.380 -0.840 5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.286 -1.258 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.053 -1.069 3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.983 0.265 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.981 -0.243 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.451 1.416 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.235 0.755 6.305 1.00 0.00 H new ATOM 1059 N LEU A 75 -1.956 2.871 3.507 1.00 0.00 N ATOM 1060 CA LEU A 75 -2.246 3.546 2.238 1.00 0.00 C ATOM 1061 C LEU A 75 -1.803 2.707 1.025 1.00 0.00 C ATOM 1062 O LEU A 75 -2.603 2.420 0.139 1.00 0.00 O ATOM 1063 CB LEU A 75 -1.778 5.012 2.206 1.00 0.00 C ATOM 1064 CG LEU A 75 -0.291 5.291 1.960 1.00 0.00 C ATOM 1065 CD1 LEU A 75 -0.069 6.793 1.836 1.00 0.00 C ATOM 1066 CD2 LEU A 75 0.598 4.829 3.098 1.00 0.00 C ATOM 0 H LEU A 75 -1.211 3.288 4.065 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.331 3.618 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.346 5.526 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.050 5.469 3.157 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.031 4.745 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.988 6.991 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.654 7.180 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.383 7.284 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.638 5.055 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.313 5.345 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.483 3.754 3.236 1.00 0.00 H new ATOM 1078 N THR A 76 -0.536 2.270 1.002 1.00 0.00 N ATOM 1079 CA THR A 76 0.094 1.638 -0.158 1.00 0.00 C ATOM 1080 C THR A 76 0.105 2.601 -1.355 1.00 0.00 C ATOM 1081 O THR A 76 -0.327 2.286 -2.461 1.00 0.00 O ATOM 1082 CB THR A 76 -0.464 0.224 -0.408 1.00 0.00 C ATOM 1083 OG1 THR A 76 -0.005 -0.597 0.646 1.00 0.00 O ATOM 1084 CG2 THR A 76 0.034 -0.425 -1.701 1.00 0.00 C ATOM 0 H THR A 76 0.088 2.349 1.805 1.00 0.00 H new ATOM 0 HA THR A 76 1.149 1.449 0.042 1.00 0.00 H new ATOM 0 HB THR A 76 -1.548 0.318 -0.476 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.059 -1.537 0.375 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.405 -1.418 -1.802 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.258 0.190 -2.553 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.120 -0.510 -1.670 1.00 0.00 H new ATOM 1092 N CYS A 77 0.710 3.759 -1.094 1.00 0.00 N ATOM 1093 CA CYS A 77 1.036 4.816 -2.031 1.00 0.00 C ATOM 1094 C CYS A 77 2.477 5.172 -1.653 1.00 0.00 C ATOM 1095 O CYS A 77 3.408 4.456 -2.023 1.00 0.00 O ATOM 1096 CB CYS A 77 0.039 5.959 -1.924 1.00 0.00 C ATOM 1097 SG CYS A 77 -1.676 5.456 -2.215 1.00 0.00 S ATOM 0 H CYS A 77 1.005 3.994 -0.146 1.00 0.00 H new ATOM 0 HA CYS A 77 0.970 4.538 -3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 77 0.115 6.404 -0.932 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.308 6.733 -2.642 1.00 0.00 H new ATOM 1102 N HIS A 78 2.655 6.169 -0.782 1.00 0.00 N ATOM 1103 CA HIS A 78 3.944 6.678 -0.324 1.00 0.00 C ATOM 1104 C HIS A 78 4.470 5.833 0.843 1.00 0.00 C ATOM 1105 O HIS A 78 4.827 6.360 1.893 1.00 0.00 O ATOM 1106 CB HIS A 78 3.803 8.159 0.079 1.00 0.00 C ATOM 1107 CG HIS A 78 2.748 8.889 -0.699 1.00 0.00 C ATOM 1108 ND1 HIS A 78 1.460 9.080 -0.257 1.00 0.00 N ATOM 1109 CD2 HIS A 78 2.767 9.129 -2.046 1.00 0.00 C ATOM 1110 CE1 HIS A 78 0.721 9.436 -1.316 1.00 0.00 C ATOM 1111 NE2 HIS A 78 1.473 9.496 -2.425 1.00 0.00 N ATOM 0 H HIS A 78 1.868 6.663 -0.360 1.00 0.00 H new ATOM 0 HA HIS A 78 4.668 6.608 -1.136 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.567 8.218 1.141 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.761 8.660 -0.063 1.00 0.00 H new ATOM 0 HD1 HIS A 78 1.128 8.971 0.701 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.625 9.049 -2.697 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -0.338 9.646 -1.281 1.00 0.00 H new ATOM 1119 N ALA A 79 4.482 4.509 0.686 1.00 0.00 N ATOM 1120 CA ALA A 79 4.913 3.595 1.738 1.00 0.00 C ATOM 1121 C ALA A 79 6.153 2.843 1.287 1.00 0.00 C ATOM 1122 O ALA A 79 6.281 2.543 0.103 1.00 0.00 O ATOM 1123 CB ALA A 79 3.782 2.629 2.082 1.00 0.00 C ATOM 0 H ALA A 79 4.193 4.043 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 79 5.162 4.162 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.111 1.949 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.915 3.192 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.512 2.055 1.196 1.00 0.00 H new ATOM 1129 N TYR A 80 7.042 2.531 2.228 1.00 0.00 N ATOM 1130 CA TYR A 80 8.289 1.822 1.982 1.00 0.00 C ATOM 1131 C TYR A 80 8.199 0.412 2.564 1.00 0.00 C ATOM 1132 O TYR A 80 7.948 0.267 3.761 1.00 0.00 O ATOM 1133 CB TYR A 80 9.421 2.564 2.684 1.00 0.00 C ATOM 1134 CG TYR A 80 9.723 3.918 2.086 1.00 0.00 C ATOM 1135 CD1 TYR A 80 10.433 3.993 0.876 1.00 0.00 C ATOM 1136 CD2 TYR A 80 9.253 5.093 2.700 1.00 0.00 C ATOM 1137 CE1 TYR A 80 10.661 5.239 0.272 1.00 0.00 C ATOM 1138 CE2 TYR A 80 9.529 6.343 2.120 1.00 0.00 C ATOM 1139 CZ TYR A 80 10.239 6.416 0.910 1.00 0.00 C ATOM 1140 OH TYR A 80 10.514 7.629 0.354 1.00 0.00 O ATOM 0 H TYR A 80 6.908 2.773 3.210 1.00 0.00 H new ATOM 0 HA TYR A 80 8.473 1.768 0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.163 2.690 3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.322 1.952 2.648 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.803 3.092 0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.682 5.035 3.615 1.00 0.00 H new ATOM 0 HE1 TYR A 80 11.161 5.292 -0.684 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.195 7.248 2.605 1.00 0.00 H new ATOM 0 HH TYR A 80 9.704 7.988 -0.065 1.00 0.00 H new ATOM 1150 N PRO A 81 8.395 -0.630 1.748 1.00 0.00 N ATOM 1151 CA PRO A 81 8.336 -2.001 2.208 1.00 0.00 C ATOM 1152 C PRO A 81 9.540 -2.340 3.078 1.00 0.00 C ATOM 1153 O PRO A 81 10.670 -2.281 2.611 1.00 0.00 O ATOM 1154 CB PRO A 81 8.272 -2.879 0.960 1.00 0.00 C ATOM 1155 CG PRO A 81 8.651 -1.962 -0.200 1.00 0.00 C ATOM 1156 CD PRO A 81 8.625 -0.538 0.320 1.00 0.00 C ATOM 0 HA PRO A 81 7.460 -2.167 2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.960 -3.721 1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.274 -3.294 0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.641 -2.214 -0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.952 -2.081 -1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.566 -0.030 0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.837 0.038 -0.164 1.00 0.00 H new ATOM 1164 N THR A 82 9.314 -2.719 4.338 1.00 0.00 N ATOM 1165 CA THR A 82 10.402 -3.033 5.248 1.00 0.00 C ATOM 1166 C THR A 82 10.725 -4.531 5.256 1.00 0.00 C ATOM 1167 O THR A 82 11.779 -4.926 5.750 1.00 0.00 O ATOM 1168 CB THR A 82 10.087 -2.471 6.636 1.00 0.00 C ATOM 1169 OG1 THR A 82 8.768 -2.782 7.057 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.221 -0.944 6.611 1.00 0.00 C ATOM 0 H THR A 82 8.384 -2.814 4.745 1.00 0.00 H new ATOM 0 HA THR A 82 11.314 -2.550 4.898 1.00 0.00 H new ATOM 0 HB THR A 82 10.793 -2.925 7.331 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.367 -3.421 6.432 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.997 -0.543 7.599 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.239 -0.673 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.523 -0.529 5.884 1.00 0.00 H new ATOM 1178 N SER A 83 9.841 -5.364 4.699 1.00 0.00 N ATOM 1179 CA SER A 83 10.041 -6.788 4.467 1.00 0.00 C ATOM 1180 C SER A 83 9.059 -7.211 3.370 1.00 0.00 C ATOM 1181 O SER A 83 8.318 -6.373 2.852 1.00 0.00 O ATOM 1182 CB SER A 83 9.819 -7.582 5.765 1.00 0.00 C ATOM 1183 OG SER A 83 10.817 -7.299 6.728 1.00 0.00 O ATOM 0 H SER A 83 8.925 -5.044 4.385 1.00 0.00 H new ATOM 0 HA SER A 83 11.063 -6.993 4.149 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.838 -7.342 6.176 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.819 -8.649 5.543 1.00 0.00 H new ATOM 0 HG SER A 83 11.345 -6.527 6.435 1.00 0.00 H new ATOM 1189 N ASP A 84 9.040 -8.501 3.031 1.00 0.00 N ATOM 1190 CA ASP A 84 8.033 -9.143 2.202 1.00 0.00 C ATOM 1191 C ASP A 84 6.662 -9.011 2.875 1.00 0.00 C ATOM 1192 O ASP A 84 6.295 -9.786 3.753 1.00 0.00 O ATOM 1193 CB ASP A 84 8.416 -10.611 1.964 1.00 0.00 C ATOM 1194 CG ASP A 84 8.749 -11.388 3.236 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.586 -10.864 4.009 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.208 -12.505 3.386 1.00 0.00 O ATOM 0 H ASP A 84 9.761 -9.151 3.344 1.00 0.00 H new ATOM 0 HA ASP A 84 7.979 -8.655 1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.593 -11.110 1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.276 -10.646 1.295 1.00 0.00 H new ATOM 1201 N VAL A 85 5.915 -7.986 2.471 1.00 0.00 N ATOM 1202 CA VAL A 85 4.586 -7.679 2.979 1.00 0.00 C ATOM 1203 C VAL A 85 3.516 -8.201 2.014 1.00 0.00 C ATOM 1204 O VAL A 85 3.708 -8.260 0.798 1.00 0.00 O ATOM 1205 CB VAL A 85 4.483 -6.164 3.270 1.00 0.00 C ATOM 1206 CG1 VAL A 85 4.887 -5.337 2.044 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.101 -5.742 3.796 1.00 0.00 C ATOM 0 H VAL A 85 6.231 -7.328 1.759 1.00 0.00 H new ATOM 0 HA VAL A 85 4.409 -8.191 3.925 1.00 0.00 H new ATOM 0 HB VAL A 85 5.190 -5.958 4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.805 -4.276 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.916 -5.570 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.227 -5.577 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.094 -4.668 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.339 -5.988 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.888 -6.271 4.725 1.00 0.00 H new ATOM 1217 N VAL A 86 2.370 -8.581 2.575 1.00 0.00 N ATOM 1218 CA VAL A 86 1.193 -8.993 1.840 1.00 0.00 C ATOM 1219 C VAL A 86 0.101 -8.007 2.233 1.00 0.00 C ATOM 1220 O VAL A 86 -0.127 -7.812 3.429 1.00 0.00 O ATOM 1221 CB VAL A 86 0.831 -10.437 2.225 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.380 -10.940 1.433 1.00 0.00 C ATOM 1223 CG2 VAL A 86 2.008 -11.384 1.955 1.00 0.00 C ATOM 0 H VAL A 86 2.239 -8.609 3.586 1.00 0.00 H new ATOM 0 HA VAL A 86 1.341 -8.986 0.760 1.00 0.00 H new ATOM 0 HB VAL A 86 0.592 -10.430 3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.609 -11.964 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.240 -10.302 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.154 -10.913 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.729 -12.400 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.262 -11.356 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.870 -11.069 2.543 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.541 -7.363 1.256 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.550 -6.344 1.488 1.00 0.00 C ATOM 1235 C ILE A 87 -2.631 -6.444 0.404 1.00 0.00 C ATOM 1236 O ILE A 87 -2.315 -6.783 -0.731 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.836 -4.980 1.583 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.734 -3.747 1.670 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.272 -4.773 0.550 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -2.257 -3.332 0.307 1.00 0.00 C ATOM 0 H ILE A 87 -0.367 -7.543 0.267 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.080 -6.482 2.430 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.366 -5.064 2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.574 -3.955 2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.176 -2.921 2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.720 -3.789 0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.036 -5.540 0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.148 -4.842 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.891 -2.452 0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.418 -3.098 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.838 -4.148 -0.124 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.903 -6.193 0.732 1.00 0.00 N ATOM 1253 CA GLU A 88 -5.003 -6.176 -0.235 1.00 0.00 C ATOM 1254 C GLU A 88 -5.364 -4.747 -0.607 1.00 0.00 C ATOM 1255 O GLU A 88 -5.853 -4.012 0.242 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.275 -6.786 0.339 1.00 0.00 C ATOM 1257 CG GLU A 88 -6.218 -8.122 1.062 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.563 -8.405 1.736 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.578 -7.814 1.287 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.554 -9.171 2.720 1.00 0.00 O ATOM 0 H GLU A 88 -4.200 -5.994 1.687 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.654 -6.749 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.698 -6.060 1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.983 -6.892 -0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.980 -8.918 0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.423 -8.109 1.808 1.00 0.00 H new ATOM 1267 N THR A 89 -5.143 -4.331 -1.844 1.00 0.00 N ATOM 1268 CA THR A 89 -5.420 -2.956 -2.250 1.00 0.00 C ATOM 1269 C THR A 89 -6.919 -2.753 -2.519 1.00 0.00 C ATOM 1270 O THR A 89 -7.684 -3.712 -2.480 1.00 0.00 O ATOM 1271 CB THR A 89 -4.534 -2.609 -3.446 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.616 -3.639 -4.411 1.00 0.00 O ATOM 1273 CG2 THR A 89 -3.084 -2.473 -2.971 1.00 0.00 C ATOM 0 H THR A 89 -4.772 -4.924 -2.587 1.00 0.00 H new ATOM 0 HA THR A 89 -5.175 -2.265 -1.444 1.00 0.00 H new ATOM 0 HB THR A 89 -4.868 -1.671 -3.890 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.360 -3.456 -5.022 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.445 -2.225 -3.819 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.019 -1.682 -2.224 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.755 -3.415 -2.532 1.00 0.00 H new ATOM 1281 N HIS A 90 -7.328 -1.511 -2.815 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.704 -1.127 -3.137 1.00 0.00 C ATOM 1283 C HIS A 90 -9.603 -1.183 -1.897 1.00 0.00 C ATOM 1284 O HIS A 90 -10.641 -1.840 -1.913 1.00 0.00 O ATOM 1285 CB HIS A 90 -9.300 -1.949 -4.303 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.515 -1.982 -5.594 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -7.152 -2.115 -5.737 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -9.060 -2.075 -6.847 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.884 -2.294 -7.039 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -8.017 -2.274 -7.756 1.00 0.00 N ATOM 0 H HIS A 90 -6.684 -0.720 -2.837 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.664 -0.093 -3.479 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.431 -2.975 -3.961 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.293 -1.556 -4.521 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.110 -2.007 -7.090 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.896 -2.434 -7.451 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.101 -2.383 -8.767 1.00 0.00 H new ATOM 1298 N LYS A 91 -9.204 -0.497 -0.819 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.877 -0.567 0.478 1.00 0.00 C ATOM 1300 C LYS A 91 -10.302 0.802 0.999 1.00 0.00 C ATOM 1301 O LYS A 91 -10.501 0.972 2.202 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.958 -1.297 1.464 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.563 -2.670 0.913 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.753 -3.606 0.849 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.419 -4.929 0.164 1.00 0.00 C ATOM 1306 NZ LYS A 91 -10.361 -5.991 0.573 1.00 0.00 N ATOM 0 H LYS A 91 -8.397 0.127 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.806 -1.125 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.064 -0.701 1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.464 -1.415 2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.136 -2.554 -0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.788 -3.107 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.111 -3.804 1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.567 -3.118 0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.457 -4.802 -0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.400 -5.225 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.838 -6.757 1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.063 -5.597 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.846 -6.367 -0.267 1.00 0.00 H new ATOM 1320 N GLU A 92 -10.491 1.749 0.079 1.00 0.00 N ATOM 1321 CA GLU A 92 -11.030 3.066 0.363 1.00 0.00 C ATOM 1322 C GLU A 92 -12.324 2.919 1.170 1.00 0.00 C ATOM 1323 O GLU A 92 -12.316 3.125 2.387 1.00 0.00 O ATOM 1324 CB GLU A 92 -11.172 3.816 -0.969 1.00 0.00 C ATOM 1325 CG GLU A 92 -11.724 5.236 -0.785 1.00 0.00 C ATOM 1326 CD GLU A 92 -13.222 5.332 -1.015 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -13.680 4.686 -1.981 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -13.857 6.071 -0.237 1.00 0.00 O ATOM 0 H GLU A 92 -10.266 1.611 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.370 3.667 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.200 3.868 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.833 3.255 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.495 5.579 0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.214 5.909 -1.474 1.00 0.00 H new ATOM 1335 N GLU A 93 -13.396 2.425 0.546 1.00 0.00 N ATOM 1336 CA GLU A 93 -14.643 2.147 1.254 1.00 0.00 C ATOM 1337 C GLU A 93 -14.572 0.824 2.060 1.00 0.00 C ATOM 1338 O GLU A 93 -15.527 0.049 2.084 1.00 0.00 O ATOM 1339 CB GLU A 93 -15.837 2.161 0.270 1.00 0.00 C ATOM 1340 CG GLU A 93 -16.431 3.557 0.024 1.00 0.00 C ATOM 1341 CD GLU A 93 -17.680 3.502 -0.856 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -17.730 2.611 -1.733 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -18.584 4.334 -0.620 1.00 0.00 O ATOM 0 H GLU A 93 -13.423 2.210 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.798 2.941 1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.513 1.742 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.620 1.508 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -16.681 4.018 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.682 4.191 -0.450 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.452 0.568 2.746 1.00 0.00 N ATOM 1351 CA GLU A 94 -13.321 -0.424 3.810 1.00 0.00 C ATOM 1352 C GLU A 94 -12.659 0.180 5.057 1.00 0.00 C ATOM 1353 O GLU A 94 -12.853 -0.358 6.150 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.508 -1.651 3.373 1.00 0.00 C ATOM 1355 CG GLU A 94 -13.220 -2.642 2.442 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.617 -4.051 2.556 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -12.320 -4.485 3.694 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -12.380 -4.681 1.500 1.00 0.00 O ATOM 0 H GLU A 94 -12.581 1.067 2.565 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.337 -0.743 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.604 -1.302 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.192 -2.188 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.281 -2.678 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.144 -2.294 1.412 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.816 1.214 4.921 1.00 0.00 N ATOM 1366 CA ILE A 95 -11.227 1.889 6.065 1.00 0.00 C ATOM 1367 C ILE A 95 -12.150 2.939 6.686 1.00 0.00 C ATOM 1368 O ILE A 95 -12.188 3.044 7.913 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.836 2.438 5.718 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.878 3.498 4.624 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -8.915 1.287 5.326 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.616 4.334 4.600 1.00 0.00 C ATOM 0 H ILE A 95 -11.531 1.596 4.019 1.00 0.00 H new ATOM 0 HA ILE A 95 -11.095 1.142 6.848 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.444 2.933 6.607 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.012 3.016 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.740 4.146 4.780 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.928 1.678 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.831 0.588 6.158 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.327 0.770 4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.687 5.077 3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.495 4.838 5.559 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.756 3.690 4.418 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.827 3.747 5.864 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.665 4.832 6.356 1.00 0.00 C ATOM 1386 C VAL A 96 -15.033 4.284 6.783 1.00 0.00 C ATOM 1387 O VAL A 96 -15.370 3.161 6.344 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.781 5.973 5.326 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -12.413 6.581 4.971 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -14.498 5.546 4.038 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.722 5.005 7.537 1.00 0.00 O ATOM 0 H VAL A 96 -12.807 3.664 4.848 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.192 5.269 7.235 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.388 6.734 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.548 7.380 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.950 6.985 5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.770 5.809 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -14.549 6.392 3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.948 4.731 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.508 5.212 4.277 1.00 0.00 H new TER 1401 VAL A 96 HETATM 1402 FE1 FES A 97 -3.654 9.586 -1.313 1.00 0.00 FE HETATM 1403 FE2 FES A 97 -3.238 6.997 -1.287 1.00 0.00 FE HETATM 1404 S1 FES A 97 -2.425 8.490 0.106 1.00 0.00 S HETATM 1405 S2 FES A 97 -4.190 8.136 -2.862 1.00 0.00 S