USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 406 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 5 GLN : amide:sc= -0.0824 X(o=1.2,f=1.1) USER MOD Set 1.2: A 8 THR OG1 : rot -109:sc= 1.32 USER MOD Set 1.3: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.682 (180deg=0.22) USER MOD Single : A 12 SER OG : rot 32:sc= 0.482 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.901 K(o=0.9,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 22 SER OG : rot 150:sc= 1.03 USER MOD Single : B 1 PHE N :NH3+ -101:sc= 0.0493 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.59) USER MOD Single : B 5 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.16) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0025 X(o=-0.0025,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 86:sc= 0.932 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.149 5.683 -3.821 1.00 0.00 N ATOM 2 CA GLY A 1 -6.094 4.820 -5.019 1.00 0.00 C ATOM 3 C GLY A 1 -4.693 4.292 -5.256 1.00 0.00 C ATOM 4 O GLY A 1 -3.715 4.989 -4.996 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.063 5.553 -3.341 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.378 5.426 -3.172 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.045 6.678 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.784 3.985 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.424 5.384 -5.891 1.00 0.00 H new ATOM 10 N ILE A 2 -4.568 3.056 -5.750 1.00 0.00 N ATOM 11 CA ILE A 2 -3.281 2.337 -5.876 1.00 0.00 C ATOM 12 C ILE A 2 -2.436 2.878 -7.038 1.00 0.00 C ATOM 13 O ILE A 2 -1.220 2.980 -6.922 1.00 0.00 O ATOM 14 CB ILE A 2 -3.536 0.819 -5.961 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.244 0.046 -6.298 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.615 0.526 -7.005 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.276 -1.477 -6.116 1.00 0.00 C ATOM 0 H ILE A 2 -5.366 2.513 -6.080 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.684 2.517 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.880 0.481 -4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.983 0.258 -7.335 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.440 0.444 -5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.788 -0.549 -7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.540 1.029 -6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.287 0.889 -7.979 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.307 -1.896 -6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.496 -1.715 -5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.048 -1.904 -6.757 1.00 0.00 H new ATOM 29 N VAL A 3 -3.088 3.296 -8.128 1.00 0.00 N ATOM 30 CA VAL A 3 -2.544 4.068 -9.252 1.00 0.00 C ATOM 31 C VAL A 3 -1.606 5.182 -8.799 1.00 0.00 C ATOM 32 O VAL A 3 -0.555 5.379 -9.404 1.00 0.00 O ATOM 33 CB VAL A 3 -3.705 4.716 -10.026 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.229 5.321 -11.359 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.862 3.758 -10.361 1.00 0.00 C ATOM 0 H VAL A 3 -4.078 3.090 -8.258 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.978 3.374 -9.873 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.072 5.482 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.076 5.770 -11.878 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.477 6.085 -11.164 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.797 4.537 -11.981 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.636 4.299 -10.906 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.490 2.939 -10.976 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.281 3.357 -9.438 1.00 0.00 H new ATOM 45 N GLU A 4 -1.943 5.877 -7.712 1.00 0.00 N ATOM 46 CA GLU A 4 -1.115 6.978 -7.223 1.00 0.00 C ATOM 47 C GLU A 4 0.271 6.489 -6.752 1.00 0.00 C ATOM 48 O GLU A 4 1.265 7.198 -6.904 1.00 0.00 O ATOM 49 CB GLU A 4 -1.865 7.727 -6.110 1.00 0.00 C ATOM 50 CG GLU A 4 -1.111 8.973 -5.645 1.00 0.00 C ATOM 51 CD GLU A 4 -1.951 9.796 -4.648 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.897 9.517 -3.425 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.672 10.730 -5.081 1.00 0.00 O ATOM 0 H GLU A 4 -2.779 5.698 -7.156 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.930 7.668 -8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.853 8.015 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.017 7.058 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.172 8.679 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.858 9.590 -6.507 1.00 0.00 H new ATOM 60 N GLN A 5 0.352 5.254 -6.250 1.00 0.00 N ATOM 61 CA GLN A 5 1.597 4.562 -5.912 1.00 0.00 C ATOM 62 C GLN A 5 2.258 3.917 -7.135 1.00 0.00 C ATOM 63 O GLN A 5 3.441 4.128 -7.381 1.00 0.00 O ATOM 64 CB GLN A 5 1.296 3.475 -4.864 1.00 0.00 C ATOM 65 CG GLN A 5 2.537 3.003 -4.091 1.00 0.00 C ATOM 66 CD GLN A 5 3.120 4.073 -3.169 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.705 4.247 -2.033 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.104 4.834 -3.608 1.00 0.00 N ATOM 0 H GLN A 5 -0.476 4.690 -6.061 1.00 0.00 H new ATOM 0 HA GLN A 5 2.293 5.303 -5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.562 3.859 -4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.841 2.619 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.275 2.126 -3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.302 2.690 -4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.465 4.705 -4.553 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.503 5.551 -3.002 1.00 0.00 H new ATOM 77 N CYS A 6 1.497 3.131 -7.897 1.00 0.00 N ATOM 78 CA CYS A 6 2.021 2.276 -8.969 1.00 0.00 C ATOM 79 C CYS A 6 2.373 3.018 -10.260 1.00 0.00 C ATOM 80 O CYS A 6 3.208 2.527 -11.007 1.00 0.00 O ATOM 81 CB CYS A 6 1.047 1.137 -9.267 1.00 0.00 C ATOM 82 SG CYS A 6 0.674 0.089 -7.840 1.00 0.00 S ATOM 0 H CYS A 6 0.485 3.068 -7.788 1.00 0.00 H new ATOM 0 HA CYS A 6 2.962 1.879 -8.589 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.117 1.559 -9.647 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.463 0.516 -10.061 1.00 0.00 H new ATOM 87 N CYS A 7 1.775 4.177 -10.543 1.00 0.00 N ATOM 88 CA CYS A 7 2.121 4.951 -11.733 1.00 0.00 C ATOM 89 C CYS A 7 3.288 5.923 -11.469 1.00 0.00 C ATOM 90 O CYS A 7 4.111 6.158 -12.356 1.00 0.00 O ATOM 91 CB CYS A 7 0.855 5.651 -12.253 1.00 0.00 C ATOM 92 SG CYS A 7 1.118 6.669 -13.729 1.00 0.00 S ATOM 0 H CYS A 7 1.049 4.599 -9.963 1.00 0.00 H new ATOM 0 HA CYS A 7 2.486 4.282 -12.512 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.102 4.895 -12.477 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.450 6.280 -11.460 1.00 0.00 H new ATOM 97 N THR A 8 3.400 6.455 -10.242 1.00 0.00 N ATOM 98 CA THR A 8 4.497 7.360 -9.841 1.00 0.00 C ATOM 99 C THR A 8 5.743 6.613 -9.364 1.00 0.00 C ATOM 100 O THR A 8 6.865 7.070 -9.593 1.00 0.00 O ATOM 101 CB THR A 8 4.073 8.324 -8.722 1.00 0.00 C ATOM 102 OG1 THR A 8 3.863 7.645 -7.502 1.00 0.00 O ATOM 103 CG2 THR A 8 2.808 9.092 -9.087 1.00 0.00 C ATOM 0 H THR A 8 2.731 6.271 -9.494 1.00 0.00 H new ATOM 0 HA THR A 8 4.737 7.918 -10.746 1.00 0.00 H new ATOM 0 HB THR A 8 4.894 9.030 -8.601 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.904 7.621 -7.302 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.541 9.763 -8.270 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.984 9.674 -9.992 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.993 8.389 -9.260 1.00 0.00 H new ATOM 111 N SER A 9 5.547 5.461 -8.721 1.00 0.00 N ATOM 112 CA SER A 9 6.585 4.623 -8.124 1.00 0.00 C ATOM 113 C SER A 9 6.385 3.154 -8.529 1.00 0.00 C ATOM 114 O SER A 9 5.487 2.817 -9.297 1.00 0.00 O ATOM 115 CB SER A 9 6.581 4.733 -6.586 1.00 0.00 C ATOM 116 OG SER A 9 6.309 6.047 -6.120 1.00 0.00 O ATOM 0 H SER A 9 4.614 5.069 -8.597 1.00 0.00 H new ATOM 0 HA SER A 9 7.546 4.978 -8.495 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.835 4.049 -6.181 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.549 4.412 -6.203 1.00 0.00 H new ATOM 0 HG SER A 9 6.318 6.055 -5.140 1.00 0.00 H new ATOM 122 N ILE A 10 7.222 2.253 -8.020 1.00 0.00 N ATOM 123 CA ILE A 10 7.164 0.819 -8.329 1.00 0.00 C ATOM 124 C ILE A 10 6.107 0.052 -7.519 1.00 0.00 C ATOM 125 O ILE A 10 5.871 0.337 -6.342 1.00 0.00 O ATOM 126 CB ILE A 10 8.560 0.188 -8.209 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.194 0.468 -6.821 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.416 0.719 -9.367 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.553 -0.190 -6.596 1.00 0.00 C ATOM 0 H ILE A 10 7.971 2.498 -7.372 1.00 0.00 H new ATOM 0 HA ILE A 10 6.834 0.734 -9.364 1.00 0.00 H new ATOM 0 HB ILE A 10 8.493 -0.898 -8.281 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.302 1.545 -6.697 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.507 0.125 -6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.415 0.288 -9.308 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.956 0.442 -10.316 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.485 1.805 -9.300 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.918 0.061 -5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.452 -1.272 -6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.260 0.170 -7.343 1.00 0.00 H new ATOM 141 N CYS A 11 5.511 -0.957 -8.156 1.00 0.00 N ATOM 142 CA CYS A 11 4.591 -1.933 -7.567 1.00 0.00 C ATOM 143 C CYS A 11 4.924 -3.377 -7.994 1.00 0.00 C ATOM 144 O CYS A 11 5.741 -3.616 -8.887 1.00 0.00 O ATOM 145 CB CYS A 11 3.149 -1.558 -7.930 1.00 0.00 C ATOM 146 SG CYS A 11 2.464 -0.216 -6.941 1.00 0.00 S ATOM 0 H CYS A 11 5.665 -1.125 -9.150 1.00 0.00 H new ATOM 0 HA CYS A 11 4.705 -1.903 -6.483 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.113 -1.274 -8.982 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.517 -2.438 -7.815 1.00 0.00 H new ATOM 151 N SER A 12 4.286 -4.331 -7.314 1.00 0.00 N ATOM 152 CA SER A 12 4.439 -5.789 -7.416 1.00 0.00 C ATOM 153 C SER A 12 3.118 -6.441 -6.969 1.00 0.00 C ATOM 154 O SER A 12 2.215 -5.735 -6.513 1.00 0.00 O ATOM 155 CB SER A 12 5.609 -6.206 -6.512 1.00 0.00 C ATOM 156 OG SER A 12 5.839 -7.600 -6.564 1.00 0.00 O ATOM 0 H SER A 12 3.586 -4.084 -6.615 1.00 0.00 H new ATOM 0 HA SER A 12 4.655 -6.109 -8.436 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.512 -5.677 -6.818 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.398 -5.910 -5.484 1.00 0.00 H new ATOM 0 HG SER A 12 5.605 -7.937 -7.454 1.00 0.00 H new ATOM 162 N LEU A 13 2.962 -7.769 -7.019 1.00 0.00 N ATOM 163 CA LEU A 13 1.749 -8.444 -6.570 1.00 0.00 C ATOM 164 C LEU A 13 1.432 -8.206 -5.078 1.00 0.00 C ATOM 165 O LEU A 13 0.272 -8.230 -4.676 1.00 0.00 O ATOM 166 CB LEU A 13 1.850 -9.921 -6.979 1.00 0.00 C ATOM 167 CG LEU A 13 2.672 -10.853 -6.106 1.00 0.00 C ATOM 168 CD1 LEU A 13 2.493 -12.302 -6.563 1.00 0.00 C ATOM 169 CD2 LEU A 13 4.165 -10.547 -6.075 1.00 0.00 C ATOM 0 H LEU A 13 3.678 -8.403 -7.374 1.00 0.00 H new ATOM 0 HA LEU A 13 0.879 -8.010 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.838 -10.322 -7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.262 -9.960 -7.987 1.00 0.00 H new ATOM 0 HG LEU A 13 2.292 -10.696 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.088 -12.960 -5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.442 -12.580 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.822 -12.401 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.670 -11.263 -5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.572 -10.620 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.322 -9.538 -5.693 1.00 0.00 H new ATOM 181 N TYR A 14 2.449 -7.838 -4.294 1.00 0.00 N ATOM 182 CA TYR A 14 2.314 -7.361 -2.912 1.00 0.00 C ATOM 183 C TYR A 14 1.468 -6.074 -2.779 1.00 0.00 C ATOM 184 O TYR A 14 1.033 -5.728 -1.677 1.00 0.00 O ATOM 185 CB TYR A 14 3.726 -7.157 -2.332 1.00 0.00 C ATOM 186 CG TYR A 14 3.904 -7.783 -0.966 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.781 -7.010 0.203 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.184 -9.157 -0.878 1.00 0.00 C ATOM 189 CE1 TYR A 14 3.941 -7.614 1.467 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.343 -9.766 0.383 1.00 0.00 C ATOM 191 CZ TYR A 14 4.224 -8.995 1.562 1.00 0.00 C ATOM 192 OH TYR A 14 4.380 -9.588 2.778 1.00 0.00 O ATOM 0 H TYR A 14 3.418 -7.864 -4.611 1.00 0.00 H new ATOM 0 HA TYR A 14 1.769 -8.117 -2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.459 -7.582 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.934 -6.089 -2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.564 -5.954 0.132 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.277 -9.747 -1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.847 -7.020 2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.556 -10.823 0.449 1.00 0.00 H new ATOM 0 HH TYR A 14 4.569 -10.542 2.655 1.00 0.00 H new ATOM 202 N GLN A 15 1.238 -5.338 -3.874 1.00 0.00 N ATOM 203 CA GLN A 15 0.354 -4.180 -3.947 1.00 0.00 C ATOM 204 C GLN A 15 -0.902 -4.506 -4.770 1.00 0.00 C ATOM 205 O GLN A 15 -2.015 -4.281 -4.302 1.00 0.00 O ATOM 206 CB GLN A 15 1.154 -3.019 -4.555 1.00 0.00 C ATOM 207 CG GLN A 15 2.494 -2.770 -3.842 1.00 0.00 C ATOM 208 CD GLN A 15 2.350 -2.051 -2.500 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.560 -0.852 -2.377 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.976 -2.744 -1.439 1.00 0.00 N ATOM 0 H GLN A 15 1.684 -5.546 -4.767 1.00 0.00 H new ATOM 0 HA GLN A 15 0.005 -3.898 -2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.343 -3.228 -5.608 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.553 -2.111 -4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.993 -3.726 -3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.138 -2.180 -4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.796 -3.745 -1.521 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.867 -2.278 -0.538 1.00 0.00 H new ATOM 219 N LEU A 16 -0.735 -5.099 -5.956 1.00 0.00 N ATOM 220 CA LEU A 16 -1.815 -5.337 -6.923 1.00 0.00 C ATOM 221 C LEU A 16 -2.834 -6.384 -6.465 1.00 0.00 C ATOM 222 O LEU A 16 -3.987 -6.316 -6.882 1.00 0.00 O ATOM 223 CB LEU A 16 -1.206 -5.794 -8.250 1.00 0.00 C ATOM 224 CG LEU A 16 -0.581 -4.757 -9.190 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.658 -3.961 -9.896 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.336 -3.742 -8.528 1.00 0.00 C ATOM 0 H LEU A 16 0.173 -5.434 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.352 -4.394 -7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.437 -6.532 -8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.987 -6.311 -8.807 1.00 0.00 H new ATOM 0 HG LEU A 16 0.021 -5.360 -9.870 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.195 -3.230 -10.559 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.284 -4.635 -10.480 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.271 -3.444 -9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.724 -3.056 -9.281 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.223 -3.180 -7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.166 -4.260 -8.048 1.00 0.00 H new ATOM 238 N GLU A 17 -2.474 -7.340 -5.601 1.00 0.00 N ATOM 239 CA GLU A 17 -3.412 -8.400 -5.178 1.00 0.00 C ATOM 240 C GLU A 17 -4.493 -7.868 -4.218 1.00 0.00 C ATOM 241 O GLU A 17 -5.462 -8.557 -3.900 1.00 0.00 O ATOM 242 CB GLU A 17 -2.644 -9.624 -4.656 1.00 0.00 C ATOM 243 CG GLU A 17 -3.368 -10.939 -4.956 1.00 0.00 C ATOM 244 CD GLU A 17 -2.653 -12.126 -4.282 1.00 0.00 C ATOM 245 OE1 GLU A 17 -3.168 -12.653 -3.268 1.00 0.00 O ATOM 246 OE2 GLU A 17 -1.574 -12.553 -4.756 1.00 0.00 O ATOM 0 H GLU A 17 -1.547 -7.406 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.970 -8.743 -6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.652 -9.647 -5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.502 -9.528 -3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.397 -10.881 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.410 -11.098 -6.033 1.00 0.00 H new ATOM 253 N ASN A 18 -4.363 -6.597 -3.823 1.00 0.00 N ATOM 254 CA ASN A 18 -5.401 -5.840 -3.123 1.00 0.00 C ATOM 255 C ASN A 18 -6.545 -5.415 -4.056 1.00 0.00 C ATOM 256 O ASN A 18 -7.626 -5.090 -3.560 1.00 0.00 O ATOM 257 CB ASN A 18 -4.790 -4.593 -2.471 1.00 0.00 C ATOM 258 CG ASN A 18 -3.859 -4.928 -1.319 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.278 -5.243 -0.213 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.569 -4.883 -1.545 1.00 0.00 N ATOM 0 H ASN A 18 -3.514 -6.056 -3.986 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.819 -6.499 -2.362 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.241 -4.027 -3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.591 -3.948 -2.109 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.912 -5.111 -0.799 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.222 -4.620 -2.467 1.00 0.00 H new ATOM 267 N TYR A 19 -6.340 -5.400 -5.382 1.00 0.00 N ATOM 268 CA TYR A 19 -7.416 -5.007 -6.299 1.00 0.00 C ATOM 269 C TYR A 19 -8.397 -6.150 -6.561 1.00 0.00 C ATOM 270 O TYR A 19 -9.568 -5.902 -6.864 1.00 0.00 O ATOM 271 CB TYR A 19 -6.827 -4.632 -7.643 1.00 0.00 C ATOM 272 CG TYR A 19 -6.312 -3.242 -7.865 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.998 -3.120 -8.320 1.00 0.00 C ATOM 274 CD2 TYR A 19 -7.217 -2.180 -8.009 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.659 -2.067 -9.178 1.00 0.00 C ATOM 276 CE2 TYR A 19 -6.846 -1.051 -8.768 1.00 0.00 C ATOM 277 CZ TYR A 19 -5.599 -1.042 -9.436 1.00 0.00 C ATOM 278 OH TYR A 19 -5.301 -0.030 -10.293 1.00 0.00 O ATOM 0 H TYR A 19 -5.460 -5.649 -5.834 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.938 -4.174 -5.828 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.005 -5.320 -7.842 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.590 -4.821 -8.398 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.248 -3.833 -8.012 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.190 -2.227 -7.542 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.684 -2.037 -9.641 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.508 -0.201 -8.839 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.063 0.584 -10.352 1.00 0.00 H new ATOM 288 N CYS A 20 -7.909 -7.394 -6.525 1.00 0.00 N ATOM 289 CA CYS A 20 -8.685 -8.552 -6.931 1.00 0.00 C ATOM 290 C CYS A 20 -9.996 -8.681 -6.146 1.00 0.00 C ATOM 291 O CYS A 20 -10.029 -8.544 -4.919 1.00 0.00 O ATOM 292 CB CYS A 20 -7.895 -9.853 -6.796 1.00 0.00 C ATOM 293 SG CYS A 20 -6.182 -9.876 -7.370 1.00 0.00 S ATOM 0 H CYS A 20 -6.964 -7.618 -6.212 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.920 -8.387 -7.983 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.897 -10.136 -5.743 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.437 -10.629 -7.336 1.00 0.00 H new ATOM 298 N ASN A 21 -11.079 -8.987 -6.855 1.00 0.00 N ATOM 299 CA ASN A 21 -12.409 -9.092 -6.298 1.00 0.00 C ATOM 300 C ASN A 21 -12.581 -10.476 -5.639 1.00 0.00 C ATOM 301 O ASN A 21 -12.605 -11.495 -6.339 1.00 0.00 O ATOM 302 CB ASN A 21 -13.369 -8.818 -7.463 1.00 0.00 C ATOM 303 CG ASN A 21 -14.833 -8.981 -7.115 1.00 0.00 C ATOM 304 OD1 ASN A 21 -15.254 -8.983 -5.968 1.00 0.00 O ATOM 305 ND2 ASN A 21 -15.655 -9.106 -8.125 1.00 0.00 N ATOM 0 H ASN A 21 -11.047 -9.172 -7.858 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.612 -8.375 -5.502 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.204 -7.803 -7.823 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.126 -9.491 -8.285 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.656 -9.206 -7.958 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.295 -9.103 -9.079 1.00 0.00 H new ATOM 312 N SER A 22 -12.661 -10.514 -4.304 1.00 0.00 N ATOM 313 CA SER A 22 -12.601 -11.744 -3.486 1.00 0.00 C ATOM 314 C SER A 22 -13.677 -11.783 -2.394 1.00 0.00 C ATOM 315 O SER A 22 -14.387 -12.809 -2.294 1.00 0.00 O ATOM 316 CB SER A 22 -11.211 -11.899 -2.855 1.00 0.00 C ATOM 317 OG SER A 22 -10.194 -11.697 -3.827 1.00 0.00 O ATOM 318 OXT SER A 22 -13.813 -10.788 -1.643 1.00 0.00 O ATOM 0 H SER A 22 -12.772 -9.670 -3.742 1.00 0.00 H new ATOM 0 HA SER A 22 -12.795 -12.578 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.093 -11.182 -2.043 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.113 -12.893 -2.419 1.00 0.00 H new ATOM 0 HG SER A 22 -9.396 -11.327 -3.394 1.00 0.00 H new TER 324 SER A 22 ATOM 325 N PHE B 1 9.766 -11.755 -8.587 1.00 0.00 N ATOM 326 CA PHE B 1 8.682 -11.006 -9.273 1.00 0.00 C ATOM 327 C PHE B 1 9.171 -9.623 -9.690 1.00 0.00 C ATOM 328 O PHE B 1 10.061 -9.052 -9.057 1.00 0.00 O ATOM 329 CB PHE B 1 7.418 -10.918 -8.397 1.00 0.00 C ATOM 330 CG PHE B 1 6.137 -10.635 -9.157 1.00 0.00 C ATOM 331 CD1 PHE B 1 5.688 -9.314 -9.346 1.00 0.00 C ATOM 332 CD2 PHE B 1 5.341 -11.711 -9.597 1.00 0.00 C ATOM 333 CE1 PHE B 1 4.434 -9.073 -9.935 1.00 0.00 C ATOM 334 CE2 PHE B 1 4.086 -11.471 -10.180 1.00 0.00 C ATOM 335 CZ PHE B 1 3.627 -10.154 -10.327 1.00 0.00 C ATOM 0 H1 PHE B 1 10.193 -12.433 -9.250 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.493 -11.089 -8.257 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.372 -12.268 -7.773 1.00 0.00 H new ATOM 0 HA PHE B 1 8.408 -11.554 -10.175 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.303 -11.857 -7.855 1.00 0.00 H new ATOM 0 HB3 PHE B 1 7.563 -10.135 -7.652 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.308 -8.485 -9.038 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.697 -12.724 -9.486 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.092 -8.060 -10.086 1.00 0.00 H new ATOM 0 HE2 PHE B 1 3.477 -12.298 -10.514 1.00 0.00 H new ATOM 0 HZ PHE B 1 2.648 -9.970 -10.744 1.00 0.00 H new ATOM 347 N VAL B 2 8.621 -9.084 -10.777 1.00 0.00 N ATOM 348 CA VAL B 2 9.089 -7.834 -11.399 1.00 0.00 C ATOM 349 C VAL B 2 8.497 -6.606 -10.693 1.00 0.00 C ATOM 350 O VAL B 2 7.281 -6.414 -10.692 1.00 0.00 O ATOM 351 CB VAL B 2 8.751 -7.816 -12.904 1.00 0.00 C ATOM 352 CG1 VAL B 2 9.325 -6.567 -13.582 1.00 0.00 C ATOM 353 CG2 VAL B 2 9.321 -9.039 -13.639 1.00 0.00 C ATOM 0 H VAL B 2 7.827 -9.504 -11.261 1.00 0.00 H new ATOM 0 HA VAL B 2 10.173 -7.790 -11.289 1.00 0.00 H new ATOM 0 HB VAL B 2 7.663 -7.824 -12.966 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.072 -6.580 -14.642 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.903 -5.675 -13.119 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.409 -6.557 -13.468 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.058 -8.984 -14.695 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.406 -9.053 -13.535 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.904 -9.949 -13.209 1.00 0.00 H new ATOM 363 N LYS B 3 9.364 -5.751 -10.139 1.00 0.00 N ATOM 364 CA LYS B 3 9.011 -4.432 -9.589 1.00 0.00 C ATOM 365 C LYS B 3 9.060 -3.374 -10.695 1.00 0.00 C ATOM 366 O LYS B 3 10.095 -3.207 -11.340 1.00 0.00 O ATOM 367 CB LYS B 3 9.957 -4.076 -8.430 1.00 0.00 C ATOM 368 CG LYS B 3 9.856 -5.082 -7.270 1.00 0.00 C ATOM 369 CD LYS B 3 10.774 -4.728 -6.091 1.00 0.00 C ATOM 370 CE LYS B 3 12.261 -4.836 -6.453 1.00 0.00 C ATOM 371 NZ LYS B 3 13.133 -4.555 -5.280 1.00 0.00 N ATOM 0 H LYS B 3 10.359 -5.961 -10.057 1.00 0.00 H new ATOM 0 HA LYS B 3 7.994 -4.462 -9.197 1.00 0.00 H new ATOM 0 HB2 LYS B 3 10.983 -4.047 -8.796 1.00 0.00 H new ATOM 0 HB3 LYS B 3 9.721 -3.077 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS B 3 8.824 -5.124 -6.921 1.00 0.00 H new ATOM 0 HG3 LYS B 3 10.110 -6.077 -7.635 1.00 0.00 H new ATOM 0 HD2 LYS B 3 10.557 -3.713 -5.757 1.00 0.00 H new ATOM 0 HD3 LYS B 3 10.558 -5.392 -5.254 1.00 0.00 H new ATOM 0 HE2 LYS B 3 12.472 -5.836 -6.832 1.00 0.00 H new ATOM 0 HE3 LYS B 3 12.492 -4.135 -7.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 14.131 -4.637 -5.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 12.949 -3.592 -4.934 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 12.929 -5.240 -4.524 1.00 0.00 H new ATOM 385 N GLN B 4 7.947 -2.678 -10.934 1.00 0.00 N ATOM 386 CA GLN B 4 7.776 -1.780 -12.089 1.00 0.00 C ATOM 387 C GLN B 4 6.740 -0.673 -11.843 1.00 0.00 C ATOM 388 O GLN B 4 5.808 -0.852 -11.055 1.00 0.00 O ATOM 389 CB GLN B 4 7.401 -2.601 -13.346 1.00 0.00 C ATOM 390 CG GLN B 4 6.280 -3.637 -13.130 1.00 0.00 C ATOM 391 CD GLN B 4 5.913 -4.418 -14.392 1.00 0.00 C ATOM 392 OE1 GLN B 4 6.525 -4.318 -15.445 1.00 0.00 O ATOM 393 NE2 GLN B 4 4.886 -5.238 -14.331 1.00 0.00 N ATOM 0 H GLN B 4 7.128 -2.719 -10.328 1.00 0.00 H new ATOM 0 HA GLN B 4 8.731 -1.279 -12.246 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.094 -1.913 -14.134 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.291 -3.119 -13.704 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.591 -4.339 -12.356 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.392 -3.126 -12.759 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.362 -5.336 -13.461 1.00 0.00 H new ATOM 0 HE22 GLN B 4 4.614 -5.776 -15.154 1.00 0.00 H new ATOM 402 N HIS B 5 6.896 0.458 -12.538 1.00 0.00 N ATOM 403 CA HIS B 5 5.928 1.560 -12.585 1.00 0.00 C ATOM 404 C HIS B 5 4.977 1.421 -13.787 1.00 0.00 C ATOM 405 O HIS B 5 5.390 1.035 -14.882 1.00 0.00 O ATOM 406 CB HIS B 5 6.649 2.912 -12.551 1.00 0.00 C ATOM 407 CG HIS B 5 7.785 3.068 -13.536 1.00 0.00 C ATOM 408 ND1 HIS B 5 9.106 3.297 -13.218 1.00 0.00 N ATOM 409 CD2 HIS B 5 7.707 3.007 -14.901 1.00 0.00 C ATOM 410 CE1 HIS B 5 9.812 3.367 -14.360 1.00 0.00 C ATOM 411 NE2 HIS B 5 8.998 3.195 -15.418 1.00 0.00 N ATOM 0 H HIS B 5 7.727 0.638 -13.102 1.00 0.00 H new ATOM 0 HA HIS B 5 5.301 1.510 -11.695 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.918 3.699 -12.738 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.038 3.071 -11.545 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.809 2.843 -15.479 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.877 3.537 -14.420 1.00 0.00 H new ATOM 0 HE2 HIS B 5 9.267 3.200 -16.402 1.00 0.00 H new ATOM 419 N LEU B 6 3.688 1.694 -13.574 1.00 0.00 N ATOM 420 CA LEU B 6 2.574 1.399 -14.483 1.00 0.00 C ATOM 421 C LEU B 6 1.375 2.335 -14.256 1.00 0.00 C ATOM 422 O LEU B 6 0.927 2.521 -13.129 1.00 0.00 O ATOM 423 CB LEU B 6 2.068 -0.023 -14.201 1.00 0.00 C ATOM 424 CG LEU B 6 3.112 -1.126 -14.170 1.00 0.00 C ATOM 425 CD1 LEU B 6 2.507 -2.349 -13.480 1.00 0.00 C ATOM 426 CD2 LEU B 6 3.647 -1.580 -15.527 1.00 0.00 C ATOM 0 H LEU B 6 3.375 2.151 -12.718 1.00 0.00 H new ATOM 0 HA LEU B 6 2.948 1.524 -15.499 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.552 -0.016 -13.241 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.327 -0.277 -14.959 1.00 0.00 H new ATOM 0 HG LEU B 6 3.962 -0.696 -13.640 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.244 -3.151 -13.449 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.215 -2.086 -12.463 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.630 -2.683 -14.035 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.385 -2.369 -15.382 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.825 -1.959 -16.134 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.114 -0.736 -16.035 1.00 0.00 H new ATOM 438 N CYS B 7 0.778 2.831 -15.332 1.00 0.00 N ATOM 439 CA CYS B 7 -0.443 3.646 -15.314 1.00 0.00 C ATOM 440 C CYS B 7 -1.560 2.938 -16.091 1.00 0.00 C ATOM 441 O CYS B 7 -1.308 2.420 -17.182 1.00 0.00 O ATOM 442 CB CYS B 7 -0.152 5.030 -15.918 1.00 0.00 C ATOM 443 SG CYS B 7 -0.568 6.432 -14.846 1.00 0.00 S ATOM 0 H CYS B 7 1.137 2.676 -16.274 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.774 3.778 -14.284 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.907 5.085 -16.170 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.707 5.127 -16.851 1.00 0.00 H new ATOM 448 N GLY B 8 -2.787 2.916 -15.555 1.00 0.00 N ATOM 449 CA GLY B 8 -3.990 2.474 -16.280 1.00 0.00 C ATOM 450 C GLY B 8 -3.855 1.069 -16.879 1.00 0.00 C ATOM 451 O GLY B 8 -3.737 0.091 -16.146 1.00 0.00 O ATOM 0 H GLY B 8 -2.977 3.207 -14.596 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.842 2.491 -15.601 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.205 3.183 -17.079 1.00 0.00 H new ATOM 455 N SER B 9 -3.826 0.966 -18.209 1.00 0.00 N ATOM 456 CA SER B 9 -3.661 -0.290 -18.956 1.00 0.00 C ATOM 457 C SER B 9 -2.403 -1.089 -18.582 1.00 0.00 C ATOM 458 O SER B 9 -2.467 -2.312 -18.490 1.00 0.00 O ATOM 459 CB SER B 9 -3.582 0.027 -20.453 1.00 0.00 C ATOM 460 OG SER B 9 -4.724 0.760 -20.877 1.00 0.00 O ATOM 0 H SER B 9 -3.919 1.778 -18.819 1.00 0.00 H new ATOM 0 HA SER B 9 -4.523 -0.905 -18.699 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.679 0.601 -20.660 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.508 -0.900 -21.022 1.00 0.00 H new ATOM 0 HG SER B 9 -4.652 0.953 -21.835 1.00 0.00 H new ATOM 466 N HIS B 10 -1.274 -0.421 -18.309 1.00 0.00 N ATOM 467 CA HIS B 10 -0.065 -1.089 -17.804 1.00 0.00 C ATOM 468 C HIS B 10 -0.269 -1.612 -16.388 1.00 0.00 C ATOM 469 O HIS B 10 0.227 -2.678 -16.033 1.00 0.00 O ATOM 470 CB HIS B 10 1.115 -0.110 -17.773 1.00 0.00 C ATOM 471 CG HIS B 10 1.497 0.423 -19.119 1.00 0.00 C ATOM 472 ND1 HIS B 10 2.231 -0.203 -20.098 1.00 0.00 N ATOM 473 CD2 HIS B 10 1.136 1.646 -19.595 1.00 0.00 C ATOM 474 CE1 HIS B 10 2.314 0.634 -21.150 1.00 0.00 C ATOM 475 NE2 HIS B 10 1.656 1.780 -20.890 1.00 0.00 N ATOM 0 H HIS B 10 -1.172 0.587 -18.430 1.00 0.00 H new ATOM 0 HA HIS B 10 0.142 -1.921 -18.477 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.864 0.726 -17.120 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.978 -0.610 -17.333 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.551 2.384 -19.067 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.834 0.417 -22.071 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.556 2.584 -21.510 1.00 0.00 H new ATOM 483 N LEU B 11 -0.992 -0.856 -15.564 1.00 0.00 N ATOM 484 CA LEU B 11 -1.219 -1.179 -14.161 1.00 0.00 C ATOM 485 C LEU B 11 -2.131 -2.411 -14.096 1.00 0.00 C ATOM 486 O LEU B 11 -1.837 -3.365 -13.380 1.00 0.00 O ATOM 487 CB LEU B 11 -1.778 0.073 -13.467 1.00 0.00 C ATOM 488 CG LEU B 11 -1.326 0.287 -12.016 1.00 0.00 C ATOM 489 CD1 LEU B 11 -2.195 1.375 -11.412 1.00 0.00 C ATOM 490 CD2 LEU B 11 -1.456 -0.967 -11.168 1.00 0.00 C ATOM 0 H LEU B 11 -1.442 0.010 -15.859 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.306 -1.444 -13.628 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.491 0.948 -14.050 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.867 0.021 -13.485 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.271 0.562 -12.028 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.895 1.548 -10.378 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.076 2.295 -11.984 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.239 1.064 -11.439 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.122 -0.756 -10.152 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.498 -1.286 -11.148 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.841 -1.760 -11.594 1.00 0.00 H new ATOM 502 N VAL B 12 -3.152 -2.449 -14.959 1.00 0.00 N ATOM 503 CA VAL B 12 -3.969 -3.639 -15.215 1.00 0.00 C ATOM 504 C VAL B 12 -3.099 -4.769 -15.766 1.00 0.00 C ATOM 505 O VAL B 12 -3.356 -5.910 -15.424 1.00 0.00 O ATOM 506 CB VAL B 12 -5.148 -3.352 -16.177 1.00 0.00 C ATOM 507 CG1 VAL B 12 -5.890 -4.615 -16.624 1.00 0.00 C ATOM 508 CG2 VAL B 12 -6.170 -2.437 -15.489 1.00 0.00 C ATOM 0 H VAL B 12 -3.438 -1.639 -15.509 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.400 -3.944 -14.261 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.708 -2.884 -17.057 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.703 -4.341 -17.296 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.199 -5.279 -17.143 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.297 -5.126 -15.751 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.997 -2.238 -16.170 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.549 -2.925 -14.591 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.691 -1.497 -15.216 1.00 0.00 H new ATOM 518 N GLU B 13 -2.029 -4.531 -16.528 1.00 0.00 N ATOM 519 CA GLU B 13 -1.159 -5.617 -17.018 1.00 0.00 C ATOM 520 C GLU B 13 -0.439 -6.342 -15.862 1.00 0.00 C ATOM 521 O GLU B 13 -0.116 -7.527 -15.992 1.00 0.00 O ATOM 522 CB GLU B 13 -0.180 -5.101 -18.084 1.00 0.00 C ATOM 523 CG GLU B 13 0.385 -6.229 -18.957 1.00 0.00 C ATOM 524 CD GLU B 13 1.211 -5.661 -20.125 1.00 0.00 C ATOM 525 OE1 GLU B 13 0.663 -5.496 -21.242 1.00 0.00 O ATOM 526 OE2 GLU B 13 2.422 -5.382 -19.938 1.00 0.00 O ATOM 0 H GLU B 13 -1.739 -3.598 -16.822 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.795 -6.361 -17.497 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.688 -4.375 -18.718 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.642 -4.578 -17.595 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.009 -6.885 -18.351 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.432 -6.837 -19.346 1.00 0.00 H new ATOM 533 N ALA B 14 -0.256 -5.676 -14.715 1.00 0.00 N ATOM 534 CA ALA B 14 0.168 -6.329 -13.483 1.00 0.00 C ATOM 535 C ALA B 14 -1.041 -6.910 -12.742 1.00 0.00 C ATOM 536 O ALA B 14 -1.072 -8.098 -12.461 1.00 0.00 O ATOM 537 CB ALA B 14 0.953 -5.325 -12.641 1.00 0.00 C ATOM 0 H ALA B 14 -0.399 -4.670 -14.621 1.00 0.00 H new ATOM 0 HA ALA B 14 0.824 -7.171 -13.703 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.277 -5.801 -11.715 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.826 -4.986 -13.199 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.318 -4.471 -12.407 1.00 0.00 H new ATOM 543 N LEU B 15 -2.084 -6.126 -12.503 1.00 0.00 N ATOM 544 CA LEU B 15 -3.322 -6.525 -11.849 1.00 0.00 C ATOM 545 C LEU B 15 -3.894 -7.851 -12.392 1.00 0.00 C ATOM 546 O LEU B 15 -4.160 -8.784 -11.648 1.00 0.00 O ATOM 547 CB LEU B 15 -4.303 -5.370 -12.112 1.00 0.00 C ATOM 548 CG LEU B 15 -5.297 -5.107 -11.003 1.00 0.00 C ATOM 549 CD1 LEU B 15 -6.258 -4.010 -11.453 1.00 0.00 C ATOM 550 CD2 LEU B 15 -6.025 -6.366 -10.621 1.00 0.00 C ATOM 0 H LEU B 15 -2.089 -5.143 -12.775 1.00 0.00 H new ATOM 0 HA LEU B 15 -3.149 -6.706 -10.788 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.730 -4.460 -12.288 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.853 -5.583 -13.029 1.00 0.00 H new ATOM 0 HG LEU B 15 -4.770 -4.770 -10.110 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -6.980 -3.811 -10.661 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -5.697 -3.101 -11.669 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.784 -4.333 -12.351 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -6.733 -6.148 -9.822 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -6.562 -6.753 -11.487 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.308 -7.111 -10.277 1.00 0.00 H new ATOM 562 N TYR B 16 -3.998 -7.950 -13.710 1.00 0.00 N ATOM 563 CA TYR B 16 -4.530 -9.076 -14.484 1.00 0.00 C ATOM 564 C TYR B 16 -3.675 -10.339 -14.318 1.00 0.00 C ATOM 565 O TYR B 16 -4.203 -11.451 -14.339 1.00 0.00 O ATOM 566 CB TYR B 16 -4.585 -8.577 -15.944 1.00 0.00 C ATOM 567 CG TYR B 16 -5.383 -9.357 -16.968 1.00 0.00 C ATOM 568 CD1 TYR B 16 -5.055 -10.688 -17.292 1.00 0.00 C ATOM 569 CD2 TYR B 16 -6.410 -8.700 -17.679 1.00 0.00 C ATOM 570 CE1 TYR B 16 -5.797 -11.388 -18.260 1.00 0.00 C ATOM 571 CE2 TYR B 16 -7.163 -9.402 -18.643 1.00 0.00 C ATOM 572 CZ TYR B 16 -6.865 -10.754 -18.928 1.00 0.00 C ATOM 573 OH TYR B 16 -7.595 -11.432 -19.857 1.00 0.00 O ATOM 0 H TYR B 16 -3.691 -7.190 -14.317 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.519 -9.376 -14.138 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.979 -7.561 -15.927 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.559 -8.515 -16.307 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -4.229 -11.174 -16.794 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.620 -7.658 -17.485 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.548 -12.413 -18.492 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.968 -8.906 -19.164 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.292 -10.845 -20.218 1.00 0.00 H new ATOM 583 N LEU B 17 -2.377 -10.172 -14.059 1.00 0.00 N ATOM 584 CA LEU B 17 -1.420 -11.247 -13.810 1.00 0.00 C ATOM 585 C LEU B 17 -1.481 -11.694 -12.344 1.00 0.00 C ATOM 586 O LEU B 17 -1.470 -12.881 -12.030 1.00 0.00 O ATOM 587 CB LEU B 17 -0.026 -10.687 -14.133 1.00 0.00 C ATOM 588 CG LEU B 17 1.132 -11.671 -13.900 1.00 0.00 C ATOM 589 CD1 LEU B 17 1.023 -12.941 -14.742 1.00 0.00 C ATOM 590 CD2 LEU B 17 2.462 -10.983 -14.220 1.00 0.00 C ATOM 0 H LEU B 17 -1.949 -9.247 -14.016 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.648 -12.116 -14.428 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.010 -10.369 -15.175 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.143 -9.798 -13.526 1.00 0.00 H new ATOM 0 HG LEU B 17 1.081 -11.968 -12.852 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.871 -13.592 -14.530 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.096 -13.461 -14.498 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.024 -12.678 -15.800 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.282 -11.682 -14.054 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.464 -10.661 -15.261 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.588 -10.115 -13.572 1.00 0.00 H new ATOM 602 N VAL B 18 -1.571 -10.700 -11.466 1.00 0.00 N ATOM 603 CA VAL B 18 -1.606 -10.805 -10.007 1.00 0.00 C ATOM 604 C VAL B 18 -2.907 -11.454 -9.530 1.00 0.00 C ATOM 605 O VAL B 18 -2.900 -12.274 -8.610 1.00 0.00 O ATOM 606 CB VAL B 18 -1.376 -9.387 -9.432 1.00 0.00 C ATOM 607 CG1 VAL B 18 -1.658 -9.390 -7.942 1.00 0.00 C ATOM 608 CG2 VAL B 18 0.098 -9.046 -9.699 1.00 0.00 C ATOM 0 H VAL B 18 -1.625 -9.730 -11.775 1.00 0.00 H new ATOM 0 HA VAL B 18 -0.817 -11.462 -9.642 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.035 -8.652 -9.893 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -1.495 -8.390 -7.539 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -2.692 -9.688 -7.768 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -0.989 -10.094 -7.447 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.317 -8.051 -9.312 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.736 -9.777 -9.203 1.00 0.00 H new ATOM 0 HG23 VAL B 18 0.288 -9.068 -10.772 1.00 0.00 H new ATOM 618 N CYS B 19 -4.000 -11.160 -10.222 1.00 0.00 N ATOM 619 CA CYS B 19 -5.299 -11.808 -10.043 1.00 0.00 C ATOM 620 C CYS B 19 -5.460 -13.045 -10.938 1.00 0.00 C ATOM 621 O CYS B 19 -6.353 -13.858 -10.699 1.00 0.00 O ATOM 622 CB CYS B 19 -6.390 -10.776 -10.317 1.00 0.00 C ATOM 623 SG CYS B 19 -6.336 -9.292 -9.291 1.00 0.00 S ATOM 0 H CYS B 19 -4.011 -10.442 -10.947 1.00 0.00 H new ATOM 0 HA CYS B 19 -5.378 -12.171 -9.018 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.326 -10.475 -11.363 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.360 -11.254 -10.181 1.00 0.00 H new ATOM 628 N GLY B 20 -4.627 -13.186 -11.973 1.00 0.00 N ATOM 629 CA GLY B 20 -4.660 -14.312 -12.917 1.00 0.00 C ATOM 630 C GLY B 20 -6.026 -14.476 -13.595 1.00 0.00 C ATOM 631 O GLY B 20 -6.558 -15.584 -13.667 1.00 0.00 O ATOM 0 H GLY B 20 -3.895 -12.508 -12.184 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -3.896 -14.164 -13.680 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.409 -15.231 -12.388 1.00 0.00 H new ATOM 635 N GLU B 21 -6.633 -13.352 -13.996 1.00 0.00 N ATOM 636 CA GLU B 21 -8.001 -13.200 -14.530 1.00 0.00 C ATOM 637 C GLU B 21 -9.161 -13.811 -13.707 1.00 0.00 C ATOM 638 O GLU B 21 -10.275 -13.974 -14.212 1.00 0.00 O ATOM 639 CB GLU B 21 -8.056 -13.496 -16.036 1.00 0.00 C ATOM 640 CG GLU B 21 -7.858 -14.953 -16.465 1.00 0.00 C ATOM 641 CD GLU B 21 -8.136 -15.122 -17.972 1.00 0.00 C ATOM 642 OE1 GLU B 21 -9.259 -15.549 -18.345 1.00 0.00 O ATOM 643 OE2 GLU B 21 -7.234 -14.837 -18.798 1.00 0.00 O ATOM 0 H GLU B 21 -6.148 -12.456 -13.954 1.00 0.00 H new ATOM 0 HA GLU B 21 -8.218 -12.140 -14.396 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -9.022 -13.160 -16.412 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.294 -12.891 -16.528 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.839 -15.268 -16.241 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -8.524 -15.599 -15.893 1.00 0.00 H new ATOM 650 N ARG B 22 -8.928 -14.077 -12.417 1.00 0.00 N ATOM 651 CA ARG B 22 -9.953 -14.459 -11.427 1.00 0.00 C ATOM 652 C ARG B 22 -11.017 -13.367 -11.246 1.00 0.00 C ATOM 653 O ARG B 22 -12.207 -13.673 -11.160 1.00 0.00 O ATOM 654 CB ARG B 22 -9.245 -14.795 -10.101 1.00 0.00 C ATOM 655 CG ARG B 22 -10.220 -15.259 -9.014 1.00 0.00 C ATOM 656 CD ARG B 22 -9.508 -15.810 -7.772 1.00 0.00 C ATOM 657 NE ARG B 22 -8.710 -14.789 -7.062 1.00 0.00 N ATOM 658 CZ ARG B 22 -9.145 -13.917 -6.166 1.00 0.00 C ATOM 659 NH1 ARG B 22 -8.321 -13.154 -5.513 1.00 0.00 N ATOM 660 NH2 ARG B 22 -10.405 -13.763 -5.879 1.00 0.00 N ATOM 0 H ARG B 22 -7.991 -14.032 -12.016 1.00 0.00 H new ATOM 0 HA ARG B 22 -10.491 -15.336 -11.786 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.504 -15.575 -10.276 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.705 -13.916 -9.749 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -10.856 -14.423 -8.722 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -10.874 -16.029 -9.424 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.250 -16.223 -7.088 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -8.856 -16.631 -8.069 1.00 0.00 H new ATOM 0 HE ARG B 22 -7.716 -14.752 -7.287 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -7.318 -13.220 -5.687 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -8.677 -12.489 -4.827 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.109 -14.329 -6.353 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -10.689 -13.076 -5.180 1.00 0.00 H new ATOM 674 N GLY B 23 -10.574 -12.109 -11.224 1.00 0.00 N ATOM 675 CA GLY B 23 -11.414 -10.908 -11.241 1.00 0.00 C ATOM 676 C GLY B 23 -10.922 -9.808 -10.304 1.00 0.00 C ATOM 677 O GLY B 23 -10.211 -10.060 -9.332 1.00 0.00 O ATOM 0 H GLY B 23 -9.579 -11.889 -11.193 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.455 -10.517 -12.258 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.432 -11.182 -10.964 1.00 0.00 H new ATOM 681 N PHE B 24 -11.264 -8.566 -10.646 1.00 0.00 N ATOM 682 CA PHE B 24 -10.771 -7.305 -10.081 1.00 0.00 C ATOM 683 C PHE B 24 -11.556 -6.084 -10.596 1.00 0.00 C ATOM 684 O PHE B 24 -12.346 -6.175 -11.539 1.00 0.00 O ATOM 685 CB PHE B 24 -9.299 -7.128 -10.488 1.00 0.00 C ATOM 686 CG PHE B 24 -8.992 -7.175 -11.974 1.00 0.00 C ATOM 687 CD1 PHE B 24 -8.790 -5.983 -12.696 1.00 0.00 C ATOM 688 CD2 PHE B 24 -8.785 -8.413 -12.614 1.00 0.00 C ATOM 689 CE1 PHE B 24 -8.368 -6.025 -14.036 1.00 0.00 C ATOM 690 CE2 PHE B 24 -8.435 -8.459 -13.972 1.00 0.00 C ATOM 691 CZ PHE B 24 -8.217 -7.264 -14.679 1.00 0.00 C ATOM 0 H PHE B 24 -11.948 -8.400 -11.384 1.00 0.00 H new ATOM 0 HA PHE B 24 -10.894 -7.358 -8.999 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -8.951 -6.171 -10.099 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -8.714 -7.904 -9.995 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -8.960 -5.030 -12.217 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -8.896 -9.331 -12.056 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -8.161 -5.109 -14.569 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -8.333 -9.410 -14.473 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.932 -7.299 -15.720 1.00 0.00 H new ATOM 701 N PHE B 25 -11.283 -4.928 -9.986 1.00 0.00 N ATOM 702 CA PHE B 25 -11.682 -3.591 -10.441 1.00 0.00 C ATOM 703 C PHE B 25 -10.423 -2.721 -10.560 1.00 0.00 C ATOM 704 O PHE B 25 -9.446 -2.958 -9.852 1.00 0.00 O ATOM 705 CB PHE B 25 -12.691 -2.972 -9.461 1.00 0.00 C ATOM 706 CG PHE B 25 -14.059 -3.616 -9.499 1.00 0.00 C ATOM 707 CD1 PHE B 25 -14.369 -4.679 -8.630 1.00 0.00 C ATOM 708 CD2 PHE B 25 -15.020 -3.146 -10.411 1.00 0.00 C ATOM 709 CE1 PHE B 25 -15.643 -5.276 -8.676 1.00 0.00 C ATOM 710 CE2 PHE B 25 -16.295 -3.740 -10.454 1.00 0.00 C ATOM 711 CZ PHE B 25 -16.607 -4.805 -9.587 1.00 0.00 C ATOM 0 H PHE B 25 -10.750 -4.896 -9.117 1.00 0.00 H new ATOM 0 HA PHE B 25 -12.169 -3.656 -11.414 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -12.293 -3.048 -8.449 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -12.794 -1.910 -9.684 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -13.630 -5.036 -7.928 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -14.780 -2.331 -11.077 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -15.881 -6.095 -8.013 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -17.035 -3.379 -11.153 1.00 0.00 H new ATOM 0 HZ PHE B 25 -17.586 -5.260 -9.621 1.00 0.00 H new ATOM 721 N TYR B 26 -10.432 -1.725 -11.447 1.00 0.00 N ATOM 722 CA TYR B 26 -9.271 -0.865 -11.747 1.00 0.00 C ATOM 723 C TYR B 26 -9.627 0.631 -11.868 1.00 0.00 C ATOM 724 O TYR B 26 -8.865 1.423 -12.426 1.00 0.00 O ATOM 725 CB TYR B 26 -8.534 -1.412 -12.979 1.00 0.00 C ATOM 726 CG TYR B 26 -9.391 -1.577 -14.221 1.00 0.00 C ATOM 727 CD1 TYR B 26 -9.512 -0.531 -15.156 1.00 0.00 C ATOM 728 CD2 TYR B 26 -10.079 -2.788 -14.431 1.00 0.00 C ATOM 729 CE1 TYR B 26 -10.319 -0.699 -16.298 1.00 0.00 C ATOM 730 CE2 TYR B 26 -10.898 -2.954 -15.561 1.00 0.00 C ATOM 731 CZ TYR B 26 -11.018 -1.909 -16.506 1.00 0.00 C ATOM 732 OH TYR B 26 -11.802 -2.053 -17.608 1.00 0.00 O ATOM 0 H TYR B 26 -11.260 -1.483 -11.991 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.593 -0.904 -10.894 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.706 -0.744 -13.214 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.101 -2.379 -12.724 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -8.986 0.399 -14.998 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -9.977 -3.594 -13.719 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -10.404 0.101 -17.018 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -11.435 -3.879 -15.708 1.00 0.00 H new ATOM 0 HH TYR B 26 -12.212 -2.943 -17.604 1.00 0.00 H new ATOM 742 N THR B 27 -10.791 1.026 -11.344 1.00 0.00 N ATOM 743 CA THR B 27 -11.328 2.398 -11.374 1.00 0.00 C ATOM 744 C THR B 27 -10.347 3.400 -10.726 1.00 0.00 C ATOM 745 O THR B 27 -10.103 3.307 -9.518 1.00 0.00 O ATOM 746 CB THR B 27 -12.675 2.423 -10.631 1.00 0.00 C ATOM 747 OG1 THR B 27 -13.547 1.452 -11.179 1.00 0.00 O ATOM 748 CG2 THR B 27 -13.383 3.775 -10.712 1.00 0.00 C ATOM 0 H THR B 27 -11.414 0.375 -10.866 1.00 0.00 H new ATOM 0 HA THR B 27 -11.468 2.698 -12.413 1.00 0.00 H new ATOM 0 HB THR B 27 -12.444 2.216 -9.586 1.00 0.00 H new ATOM 0 HG1 THR B 27 -14.402 1.472 -10.700 1.00 0.00 H new ATOM 0 HG21 THR B 27 -14.326 3.725 -10.168 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.750 4.544 -10.270 1.00 0.00 H new ATOM 0 HG23 THR B 27 -13.579 4.021 -11.756 1.00 0.00 H new ATOM 756 N PRO B 28 -9.805 4.395 -11.464 1.00 0.00 N ATOM 757 CA PRO B 28 -8.762 5.293 -10.952 1.00 0.00 C ATOM 758 C PRO B 28 -9.285 6.359 -9.972 1.00 0.00 C ATOM 759 O PRO B 28 -8.496 6.945 -9.228 1.00 0.00 O ATOM 760 CB PRO B 28 -8.132 5.922 -12.203 1.00 0.00 C ATOM 761 CG PRO B 28 -9.289 5.955 -13.197 1.00 0.00 C ATOM 762 CD PRO B 28 -10.031 4.656 -12.880 1.00 0.00 C ATOM 0 HA PRO B 28 -8.038 4.738 -10.356 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -7.746 6.921 -12.001 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -7.298 5.328 -12.576 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -9.923 6.830 -13.054 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -8.938 5.981 -14.229 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -11.096 4.754 -13.093 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -9.658 3.835 -13.492 1.00 0.00 H new ATOM 770 N LYS B 29 -10.605 6.590 -9.928 1.00 0.00 N ATOM 771 CA LYS B 29 -11.277 7.507 -8.988 1.00 0.00 C ATOM 772 C LYS B 29 -11.228 7.026 -7.527 1.00 0.00 C ATOM 773 O LYS B 29 -11.409 7.834 -6.614 1.00 0.00 O ATOM 774 CB LYS B 29 -12.737 7.686 -9.455 1.00 0.00 C ATOM 775 CG LYS B 29 -13.406 8.948 -8.885 1.00 0.00 C ATOM 776 CD LYS B 29 -14.932 8.954 -9.072 1.00 0.00 C ATOM 777 CE LYS B 29 -15.606 7.946 -8.124 1.00 0.00 C ATOM 778 NZ LYS B 29 -17.088 8.012 -8.219 1.00 0.00 N ATOM 0 H LYS B 29 -11.257 6.131 -10.564 1.00 0.00 H new ATOM 0 HA LYS B 29 -10.744 8.458 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.760 7.731 -10.544 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -13.316 6.811 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -13.175 9.027 -7.823 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.982 9.828 -9.369 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.322 9.954 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.177 8.707 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.270 6.938 -8.366 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -15.297 8.148 -7.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.509 7.320 -7.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.410 8.968 -7.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.383 7.795 -9.192 1.00 0.00 H new ATOM 792 N THR B 30 -11.005 5.726 -7.292 1.00 0.00 N ATOM 793 CA THR B 30 -11.119 5.076 -5.972 1.00 0.00 C ATOM 794 C THR B 30 -10.229 5.748 -4.921 1.00 0.00 C ATOM 795 O THR B 30 -9.001 5.758 -5.059 1.00 0.00 O ATOM 796 CB THR B 30 -10.781 3.576 -6.064 1.00 0.00 C ATOM 797 OG1 THR B 30 -11.537 2.963 -7.088 1.00 0.00 O ATOM 798 CG2 THR B 30 -11.114 2.829 -4.772 1.00 0.00 C ATOM 0 H THR B 30 -10.733 5.078 -8.031 1.00 0.00 H new ATOM 0 HA THR B 30 -12.156 5.188 -5.655 1.00 0.00 H new ATOM 0 HB THR B 30 -9.711 3.519 -6.262 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.071 3.064 -7.944 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.859 1.775 -4.885 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.542 3.255 -3.948 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.179 2.924 -4.561 1.00 0.00 H new ATOM 806 N ARG B 31 -10.843 6.306 -3.868 1.00 0.00 N ATOM 807 CA ARG B 31 -10.153 6.999 -2.762 1.00 0.00 C ATOM 808 C ARG B 31 -9.407 6.019 -1.848 1.00 0.00 C ATOM 809 O ARG B 31 -8.159 6.083 -1.828 1.00 0.00 O ATOM 810 CB ARG B 31 -11.131 7.894 -1.982 1.00 0.00 C ATOM 811 CG ARG B 31 -11.699 9.040 -2.846 1.00 0.00 C ATOM 812 CD ARG B 31 -12.516 10.043 -2.017 1.00 0.00 C ATOM 813 NE ARG B 31 -13.728 9.439 -1.430 1.00 0.00 N ATOM 814 CZ ARG B 31 -14.558 10.018 -0.582 1.00 0.00 C ATOM 815 NH1 ARG B 31 -14.389 11.237 -0.156 1.00 0.00 N ATOM 816 NH2 ARG B 31 -15.589 9.364 -0.132 1.00 0.00 N ATOM 817 OXT ARG B 31 -10.067 5.186 -1.184 1.00 0.00 O ATOM 0 H ARG B 31 -11.857 6.290 -3.756 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.393 7.648 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -11.953 7.286 -1.604 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -10.621 8.315 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -10.879 9.562 -3.339 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -12.329 8.622 -3.632 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -11.891 10.444 -1.219 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -12.803 10.883 -2.649 1.00 0.00 H new ATOM 0 HE ARG B 31 -13.945 8.481 -1.706 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -13.590 11.784 -0.478 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -15.055 11.645 0.499 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -15.756 8.404 -0.434 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -16.230 9.811 0.523 1.00 0.00 H new TER 831 ARG B 31