USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.108 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 38:sc= 0.103 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0963 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.245 K(o=-0.24,f=-1.5!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.833 K(o=-0.83,f=-3.5!) USER MOD Single : B 1 PHE N :NH3+ -119:sc= -0.352 (180deg=-1.29!) USER MOD Single : B 3 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.38) USER MOD Single : B 4 GLN : amide:sc= -1.97! C(o=-2!,f=-3.2!) USER MOD Single : B 5 HIS : no HD1:sc= -3.8! X(o=-3.8!,f=-3.3) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0675 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 HIS :FLIP no HD1:sc= -3.88! C(o=-6.1!,f=-3.9!) USER MOD Single : B 26 TYR OH : rot 180:sc= -1.41 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 -45:sc= 0.626 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.527 7.592 7.810 1.00 0.00 N ATOM 2 CA GLY A 1 -2.745 6.383 6.966 1.00 0.00 C ATOM 3 C GLY A 1 -1.415 5.675 6.725 1.00 0.00 C ATOM 4 O GLY A 1 -0.390 6.048 7.262 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.129 7.538 8.656 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.529 7.639 8.098 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.771 8.444 7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.444 5.706 7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.193 6.668 6.014 1.00 0.00 H new ATOM 10 N ILE A 2 -1.426 4.660 5.912 1.00 0.00 N ATOM 11 CA ILE A 2 -0.176 3.916 5.614 1.00 0.00 C ATOM 12 C ILE A 2 0.828 4.877 4.965 1.00 0.00 C ATOM 13 O ILE A 2 2.016 4.808 5.209 1.00 0.00 O ATOM 14 CB ILE A 2 -0.531 2.755 4.668 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.138 1.424 5.312 1.00 0.00 C ATOM 16 CG2 ILE A 2 0.175 2.896 3.316 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.249 0.396 5.073 1.00 0.00 C ATOM 0 H ILE A 2 -2.258 4.310 5.436 1.00 0.00 H new ATOM 0 HA ILE A 2 0.276 3.512 6.520 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.607 2.782 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.801 1.066 4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.024 1.559 6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.099 2.059 2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.127 3.830 2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.254 2.899 3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.971 -0.553 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.178 0.755 5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.389 0.254 4.001 1.00 0.00 H new ATOM 29 N VAL A 3 0.345 5.762 4.131 1.00 0.00 N ATOM 30 CA VAL A 3 1.243 6.733 3.442 1.00 0.00 C ATOM 31 C VAL A 3 2.356 7.181 4.392 1.00 0.00 C ATOM 32 O VAL A 3 3.476 7.405 3.988 1.00 0.00 O ATOM 33 CB VAL A 3 0.421 7.943 3.004 1.00 0.00 C ATOM 34 CG1 VAL A 3 1.338 8.977 2.348 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.643 7.490 2.001 1.00 0.00 C ATOM 0 H VAL A 3 -0.644 5.853 3.897 1.00 0.00 H new ATOM 0 HA VAL A 3 1.695 6.258 2.571 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.061 8.392 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.749 9.840 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.097 9.295 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.822 8.534 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.234 8.350 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.158 7.043 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.296 6.754 2.471 1.00 0.00 H new ATOM 45 N GLU A 4 2.059 7.299 5.654 1.00 0.00 N ATOM 46 CA GLU A 4 3.112 7.718 6.625 1.00 0.00 C ATOM 47 C GLU A 4 3.892 6.482 7.082 1.00 0.00 C ATOM 48 O GLU A 4 4.184 6.313 8.250 1.00 0.00 O ATOM 49 CB GLU A 4 2.455 8.386 7.835 1.00 0.00 C ATOM 50 CG GLU A 4 3.508 9.167 8.625 1.00 0.00 C ATOM 51 CD GLU A 4 3.945 10.393 7.820 1.00 0.00 C ATOM 52 OE1 GLU A 4 4.762 10.231 6.928 1.00 0.00 O ATOM 53 OE2 GLU A 4 3.455 11.472 8.110 1.00 0.00 O ATOM 0 H GLU A 4 1.138 7.125 6.057 1.00 0.00 H new ATOM 0 HA GLU A 4 3.791 8.425 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.661 9.057 7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.992 7.633 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.100 9.477 9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.368 8.530 8.833 1.00 0.00 H new ATOM 60 N GLN A 5 4.229 5.615 6.164 1.00 0.00 N ATOM 61 CA GLN A 5 4.988 4.386 6.530 1.00 0.00 C ATOM 62 C GLN A 5 5.459 3.692 5.251 1.00 0.00 C ATOM 63 O GLN A 5 6.628 3.399 5.087 1.00 0.00 O ATOM 64 CB GLN A 5 4.081 3.443 7.324 1.00 0.00 C ATOM 65 CG GLN A 5 4.250 3.709 8.821 1.00 0.00 C ATOM 66 CD GLN A 5 4.676 2.421 9.525 1.00 0.00 C ATOM 67 OE1 GLN A 5 5.740 2.357 10.111 1.00 0.00 O ATOM 68 NE2 GLN A 5 3.887 1.382 9.494 1.00 0.00 N ATOM 0 H GLN A 5 4.010 5.707 5.172 1.00 0.00 H new ATOM 0 HA GLN A 5 5.850 4.652 7.141 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.041 3.591 7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.330 2.406 7.098 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.997 4.487 8.981 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.314 4.074 9.244 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.994 1.434 9.003 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.163 0.518 9.961 1.00 0.00 H new ATOM 77 N CYS A 6 4.562 3.432 4.336 1.00 0.00 N ATOM 78 CA CYS A 6 4.966 2.766 3.066 1.00 0.00 C ATOM 79 C CYS A 6 5.284 3.822 2.006 1.00 0.00 C ATOM 80 O CYS A 6 5.066 3.621 0.832 1.00 0.00 O ATOM 81 CB CYS A 6 3.839 1.861 2.569 1.00 0.00 C ATOM 82 SG CYS A 6 4.453 0.163 2.437 1.00 0.00 S ATOM 0 H CYS A 6 3.569 3.652 4.414 1.00 0.00 H new ATOM 0 HA CYS A 6 5.854 2.161 3.250 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.994 1.902 3.256 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.479 2.207 1.600 1.00 0.00 H new ATOM 87 N CYS A 7 5.807 4.942 2.420 1.00 0.00 N ATOM 88 CA CYS A 7 6.163 6.017 1.455 1.00 0.00 C ATOM 89 C CYS A 7 7.472 6.649 1.921 1.00 0.00 C ATOM 90 O CYS A 7 8.487 6.563 1.260 1.00 0.00 O ATOM 91 CB CYS A 7 5.059 7.070 1.438 1.00 0.00 C ATOM 92 SG CYS A 7 5.591 8.502 0.466 1.00 0.00 S ATOM 0 H CYS A 7 6.005 5.160 3.397 1.00 0.00 H new ATOM 0 HA CYS A 7 6.275 5.610 0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.148 6.648 1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.822 7.378 2.456 1.00 0.00 H new ATOM 97 N THR A 8 7.461 7.257 3.074 1.00 0.00 N ATOM 98 CA THR A 8 8.710 7.863 3.605 1.00 0.00 C ATOM 99 C THR A 8 9.709 6.731 3.864 1.00 0.00 C ATOM 100 O THR A 8 10.901 6.939 3.946 1.00 0.00 O ATOM 101 CB THR A 8 8.404 8.595 4.913 1.00 0.00 C ATOM 102 OG1 THR A 8 8.417 7.666 5.988 1.00 0.00 O ATOM 103 CG2 THR A 8 7.026 9.253 4.823 1.00 0.00 C ATOM 0 H THR A 8 6.640 7.360 3.671 1.00 0.00 H new ATOM 0 HA THR A 8 9.125 8.577 2.893 1.00 0.00 H new ATOM 0 HB THR A 8 9.159 9.362 5.085 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.223 8.134 6.827 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.810 9.774 5.756 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.016 9.966 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.268 8.489 4.650 1.00 0.00 H new ATOM 111 N SER A 9 9.211 5.529 3.980 1.00 0.00 N ATOM 112 CA SER A 9 10.095 4.355 4.222 1.00 0.00 C ATOM 113 C SER A 9 9.392 3.100 3.701 1.00 0.00 C ATOM 114 O SER A 9 8.238 3.141 3.321 1.00 0.00 O ATOM 115 CB SER A 9 10.364 4.211 5.718 1.00 0.00 C ATOM 116 OG SER A 9 11.631 4.778 6.025 1.00 0.00 O ATOM 0 H SER A 9 8.217 5.309 3.916 1.00 0.00 H new ATOM 0 HA SER A 9 11.045 4.492 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.581 4.710 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.345 3.159 6.003 1.00 0.00 H new ATOM 0 HG SER A 9 11.768 5.585 5.486 1.00 0.00 H new ATOM 122 N ILE A 10 10.068 1.984 3.674 1.00 0.00 N ATOM 123 CA ILE A 10 9.421 0.739 3.169 1.00 0.00 C ATOM 124 C ILE A 10 8.648 0.060 4.304 1.00 0.00 C ATOM 125 O ILE A 10 9.225 -0.465 5.234 1.00 0.00 O ATOM 126 CB ILE A 10 10.497 -0.213 2.643 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.271 0.473 1.515 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.838 -1.485 2.105 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.178 -0.546 0.821 1.00 0.00 C ATOM 0 H ILE A 10 11.036 1.880 3.978 1.00 0.00 H new ATOM 0 HA ILE A 10 8.730 0.991 2.365 1.00 0.00 H new ATOM 0 HB ILE A 10 11.179 -0.473 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.577 0.907 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.868 1.292 1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.606 -2.162 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.282 -1.973 2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.156 -1.227 1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.728 -0.056 0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.882 -0.959 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.571 -1.350 0.406 1.00 0.00 H new ATOM 141 N CYS A 11 7.341 0.064 4.233 1.00 0.00 N ATOM 142 CA CYS A 11 6.540 -0.584 5.309 1.00 0.00 C ATOM 143 C CYS A 11 6.414 -2.084 5.018 1.00 0.00 C ATOM 144 O CYS A 11 6.911 -2.573 4.024 1.00 0.00 O ATOM 145 CB CYS A 11 5.148 0.076 5.391 1.00 0.00 C ATOM 146 SG CYS A 11 3.994 -0.681 4.212 1.00 0.00 S ATOM 0 H CYS A 11 6.798 0.486 3.480 1.00 0.00 H new ATOM 0 HA CYS A 11 7.039 -0.455 6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.755 -0.022 6.403 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.235 1.143 5.185 1.00 0.00 H new ATOM 151 N SER A 12 5.761 -2.817 5.876 1.00 0.00 N ATOM 152 CA SER A 12 5.615 -4.281 5.645 1.00 0.00 C ATOM 153 C SER A 12 4.293 -4.561 4.924 1.00 0.00 C ATOM 154 O SER A 12 3.351 -3.799 5.011 1.00 0.00 O ATOM 155 CB SER A 12 5.629 -5.010 6.988 1.00 0.00 C ATOM 156 OG SER A 12 5.348 -4.085 8.029 1.00 0.00 O ATOM 0 H SER A 12 5.322 -2.466 6.727 1.00 0.00 H new ATOM 0 HA SER A 12 6.442 -4.634 5.029 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.889 -5.810 6.988 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.601 -5.475 7.152 1.00 0.00 H new ATOM 0 HG SER A 12 5.355 -4.551 8.891 1.00 0.00 H new ATOM 162 N LEU A 13 4.218 -5.654 4.210 1.00 0.00 N ATOM 163 CA LEU A 13 2.962 -5.988 3.483 1.00 0.00 C ATOM 164 C LEU A 13 1.844 -6.264 4.491 1.00 0.00 C ATOM 165 O LEU A 13 0.689 -6.392 4.133 1.00 0.00 O ATOM 166 CB LEU A 13 3.190 -7.236 2.624 1.00 0.00 C ATOM 167 CG LEU A 13 2.802 -6.940 1.174 1.00 0.00 C ATOM 168 CD1 LEU A 13 1.344 -6.480 1.118 1.00 0.00 C ATOM 169 CD2 LEU A 13 3.706 -5.835 0.621 1.00 0.00 C ATOM 0 H LEU A 13 4.975 -6.329 4.100 1.00 0.00 H new ATOM 0 HA LEU A 13 2.678 -5.151 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.236 -7.540 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.597 -8.067 3.007 1.00 0.00 H new ATOM 0 HG LEU A 13 2.921 -7.843 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.068 -6.269 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.699 -7.265 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.224 -5.577 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.431 -5.623 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.586 -4.933 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.745 -6.162 0.660 1.00 0.00 H new ATOM 181 N TYR A 14 2.178 -6.361 5.749 1.00 0.00 N ATOM 182 CA TYR A 14 1.138 -6.633 6.782 1.00 0.00 C ATOM 183 C TYR A 14 0.275 -5.387 6.994 1.00 0.00 C ATOM 184 O TYR A 14 -0.923 -5.478 7.173 1.00 0.00 O ATOM 185 CB TYR A 14 1.817 -7.012 8.098 1.00 0.00 C ATOM 186 CG TYR A 14 0.811 -7.688 8.995 1.00 0.00 C ATOM 187 CD1 TYR A 14 -0.308 -6.982 9.439 1.00 0.00 C ATOM 188 CD2 TYR A 14 0.997 -9.020 9.378 1.00 0.00 C ATOM 189 CE1 TYR A 14 -1.247 -7.603 10.268 1.00 0.00 C ATOM 190 CE2 TYR A 14 0.060 -9.645 10.209 1.00 0.00 C ATOM 191 CZ TYR A 14 -1.064 -8.937 10.657 1.00 0.00 C ATOM 192 OH TYR A 14 -1.989 -9.551 11.474 1.00 0.00 O ATOM 0 H TYR A 14 3.128 -6.263 6.107 1.00 0.00 H new ATOM 0 HA TYR A 14 0.504 -7.454 6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.659 -7.678 7.909 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.217 -6.122 8.585 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.449 -5.953 9.141 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.863 -9.566 9.033 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.113 -7.055 10.609 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.203 -10.674 10.505 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.711 -10.475 11.646 1.00 0.00 H new ATOM 202 N GLN A 15 0.868 -4.228 6.982 1.00 0.00 N ATOM 203 CA GLN A 15 0.067 -2.989 7.189 1.00 0.00 C ATOM 204 C GLN A 15 -0.934 -2.831 6.042 1.00 0.00 C ATOM 205 O GLN A 15 -2.049 -2.385 6.235 1.00 0.00 O ATOM 206 CB GLN A 15 1.002 -1.780 7.226 1.00 0.00 C ATOM 207 CG GLN A 15 1.988 -1.931 8.387 1.00 0.00 C ATOM 208 CD GLN A 15 1.533 -1.063 9.561 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.009 0.015 9.367 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.710 -1.492 10.782 1.00 0.00 N ATOM 0 H GLN A 15 1.868 -4.084 6.839 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.474 -3.057 8.133 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.544 -1.697 6.284 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.424 -0.863 7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.046 -2.975 8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.988 -1.636 8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.150 -2.397 10.946 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.408 -0.922 11.572 1.00 0.00 H new ATOM 219 N LEU A 16 -0.547 -3.187 4.846 1.00 0.00 N ATOM 220 CA LEU A 16 -1.476 -3.053 3.690 1.00 0.00 C ATOM 221 C LEU A 16 -2.625 -4.053 3.829 1.00 0.00 C ATOM 222 O LEU A 16 -3.611 -3.975 3.126 1.00 0.00 O ATOM 223 CB LEU A 16 -0.722 -3.322 2.384 1.00 0.00 C ATOM 224 CG LEU A 16 0.415 -2.307 2.197 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.684 -2.125 0.703 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.028 -0.950 2.799 1.00 0.00 C ATOM 0 H LEU A 16 0.373 -3.565 4.621 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.878 -2.040 3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.316 -4.333 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.411 -3.264 1.541 1.00 0.00 H new ATOM 0 HG LEU A 16 1.306 -2.681 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.491 -1.405 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.971 -3.081 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.218 -1.759 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.845 -0.243 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.867 -0.574 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.170 -1.068 3.864 1.00 0.00 H new ATOM 238 N GLU A 17 -2.511 -4.987 4.732 1.00 0.00 N ATOM 239 CA GLU A 17 -3.611 -5.975 4.913 1.00 0.00 C ATOM 240 C GLU A 17 -4.861 -5.230 5.377 1.00 0.00 C ATOM 241 O GLU A 17 -5.974 -5.605 5.075 1.00 0.00 O ATOM 242 CB GLU A 17 -3.217 -7.007 5.970 1.00 0.00 C ATOM 243 CG GLU A 17 -1.894 -7.665 5.577 1.00 0.00 C ATOM 244 CD GLU A 17 -1.648 -8.881 6.469 1.00 0.00 C ATOM 245 OE1 GLU A 17 -2.266 -9.905 6.225 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.848 -8.772 7.380 1.00 0.00 O ATOM 0 H GLU A 17 -1.708 -5.109 5.349 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.803 -6.488 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.121 -6.526 6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.997 -7.763 6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.922 -7.968 4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.076 -6.952 5.681 1.00 0.00 H new ATOM 253 N ASN A 18 -4.672 -4.168 6.113 1.00 0.00 N ATOM 254 CA ASN A 18 -5.835 -3.380 6.609 1.00 0.00 C ATOM 255 C ASN A 18 -6.597 -2.790 5.420 1.00 0.00 C ATOM 256 O ASN A 18 -7.763 -2.464 5.517 1.00 0.00 O ATOM 257 CB ASN A 18 -5.331 -2.242 7.499 1.00 0.00 C ATOM 258 CG ASN A 18 -6.196 -2.155 8.758 1.00 0.00 C ATOM 259 OD1 ASN A 18 -7.358 -1.809 8.688 1.00 0.00 O ATOM 260 ND2 ASN A 18 -5.673 -2.461 9.914 1.00 0.00 N ATOM 0 H ASN A 18 -3.758 -3.812 6.393 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.498 -4.030 7.181 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.290 -2.414 7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.366 -1.298 6.955 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.240 -2.410 10.760 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.697 -2.751 9.971 1.00 0.00 H new ATOM 267 N TYR A 19 -5.943 -2.644 4.299 1.00 0.00 N ATOM 268 CA TYR A 19 -6.622 -2.068 3.104 1.00 0.00 C ATOM 269 C TYR A 19 -7.406 -3.159 2.369 1.00 0.00 C ATOM 270 O TYR A 19 -7.836 -2.976 1.248 1.00 0.00 O ATOM 271 CB TYR A 19 -5.573 -1.473 2.161 1.00 0.00 C ATOM 272 CG TYR A 19 -5.274 -0.058 2.579 1.00 0.00 C ATOM 273 CD1 TYR A 19 -6.142 0.973 2.207 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.135 0.221 3.337 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.874 2.290 2.596 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.865 1.536 3.727 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.734 2.571 3.358 1.00 0.00 C ATOM 278 OH TYR A 19 -4.465 3.869 3.744 1.00 0.00 O ATOM 0 H TYR A 19 -4.965 -2.900 4.160 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.312 -1.289 3.427 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.663 -2.072 2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.938 -1.492 1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.020 0.753 1.619 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.465 -0.577 3.621 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.544 3.087 2.309 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.985 1.754 4.314 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.306 4.360 3.848 1.00 0.00 H new ATOM 288 N CYS A 20 -7.600 -4.291 2.987 1.00 0.00 N ATOM 289 CA CYS A 20 -8.359 -5.381 2.314 1.00 0.00 C ATOM 290 C CYS A 20 -9.814 -5.353 2.783 1.00 0.00 C ATOM 291 O CYS A 20 -10.098 -5.180 3.952 1.00 0.00 O ATOM 292 CB CYS A 20 -7.733 -6.732 2.662 1.00 0.00 C ATOM 293 SG CYS A 20 -6.790 -7.337 1.240 1.00 0.00 S ATOM 0 H CYS A 20 -7.267 -4.508 3.926 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.323 -5.235 1.234 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.081 -6.631 3.529 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.510 -7.448 2.929 1.00 0.00 H new ATOM 298 N ASN A 21 -10.737 -5.516 1.877 1.00 0.00 N ATOM 299 CA ASN A 21 -12.177 -5.493 2.263 1.00 0.00 C ATOM 300 C ASN A 21 -12.746 -6.913 2.211 1.00 0.00 C ATOM 301 O ASN A 21 -13.361 -7.320 3.182 1.00 0.00 O ATOM 302 CB ASN A 21 -12.948 -4.597 1.292 1.00 0.00 C ATOM 303 CG ASN A 21 -14.379 -4.406 1.795 1.00 0.00 C ATOM 304 OD1 ASN A 21 -14.923 -5.269 2.457 1.00 0.00 O ATOM 305 ND2 ASN A 21 -15.015 -3.303 1.511 1.00 0.00 N ATOM 306 OXT ASN A 21 -12.556 -7.568 1.199 1.00 0.00 O ATOM 0 H ASN A 21 -10.557 -5.664 0.884 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.275 -5.103 3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.452 -3.631 1.201 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.958 -5.045 0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.969 -3.164 1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.558 -2.579 0.956 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 5.710 -9.394 -5.391 1.00 0.00 N ATOM 315 CA PHE B 1 5.940 -8.437 -4.273 1.00 0.00 C ATOM 316 C PHE B 1 7.411 -8.003 -4.268 1.00 0.00 C ATOM 317 O PHE B 1 8.290 -8.756 -4.632 1.00 0.00 O ATOM 318 CB PHE B 1 5.577 -9.111 -2.938 1.00 0.00 C ATOM 319 CG PHE B 1 6.766 -9.875 -2.392 1.00 0.00 C ATOM 320 CD1 PHE B 1 7.452 -10.783 -3.207 1.00 0.00 C ATOM 321 CD2 PHE B 1 7.184 -9.665 -1.072 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.555 -11.482 -2.702 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.289 -10.364 -0.568 1.00 0.00 C ATOM 324 CZ PHE B 1 8.973 -11.273 -1.383 1.00 0.00 C ATOM 0 H1 PHE B 1 5.008 -8.998 -6.048 1.00 0.00 H new ATOM 0 H2 PHE B 1 6.604 -9.558 -5.897 1.00 0.00 H new ATOM 0 H3 PHE B 1 5.358 -10.295 -5.010 1.00 0.00 H new ATOM 0 HA PHE B 1 5.312 -7.556 -4.406 1.00 0.00 H new ATOM 0 HB2 PHE B 1 5.259 -8.358 -2.218 1.00 0.00 H new ATOM 0 HB3 PHE B 1 4.736 -9.789 -3.082 1.00 0.00 H new ATOM 0 HD1 PHE B 1 7.130 -10.944 -4.225 1.00 0.00 H new ATOM 0 HD2 PHE B 1 6.655 -8.965 -0.443 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.084 -12.183 -3.331 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.613 -10.201 0.449 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.823 -11.813 -0.994 1.00 0.00 H new ATOM 336 N VAL B 2 7.685 -6.797 -3.848 1.00 0.00 N ATOM 337 CA VAL B 2 9.100 -6.329 -3.816 1.00 0.00 C ATOM 338 C VAL B 2 9.229 -5.161 -2.837 1.00 0.00 C ATOM 339 O VAL B 2 8.361 -4.317 -2.743 1.00 0.00 O ATOM 340 CB VAL B 2 9.519 -5.873 -5.215 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.945 -5.323 -5.165 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.465 -7.065 -6.172 1.00 0.00 C ATOM 0 H VAL B 2 6.994 -6.119 -3.527 1.00 0.00 H new ATOM 0 HA VAL B 2 9.745 -7.146 -3.493 1.00 0.00 H new ATOM 0 HB VAL B 2 8.842 -5.093 -5.564 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.245 -4.998 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.985 -4.476 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.624 -6.102 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.763 -6.744 -7.170 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.144 -7.843 -5.823 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.449 -7.459 -6.206 1.00 0.00 H new ATOM 352 N ASN B 3 10.307 -5.110 -2.104 1.00 0.00 N ATOM 353 CA ASN B 3 10.494 -3.999 -1.129 1.00 0.00 C ATOM 354 C ASN B 3 10.757 -2.695 -1.883 1.00 0.00 C ATOM 355 O ASN B 3 11.863 -2.422 -2.304 1.00 0.00 O ATOM 356 CB ASN B 3 11.685 -4.312 -0.220 1.00 0.00 C ATOM 357 CG ASN B 3 11.175 -4.775 1.147 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.734 -4.424 2.168 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.131 -5.556 1.211 1.00 0.00 N ATOM 0 H ASN B 3 11.067 -5.790 -2.138 1.00 0.00 H new ATOM 0 HA ASN B 3 9.593 -3.893 -0.524 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.306 -5.087 -0.670 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.312 -3.427 -0.106 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.785 -5.871 2.117 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.661 -5.851 0.355 1.00 0.00 H new ATOM 366 N GLN B 4 9.748 -1.888 -2.058 1.00 0.00 N ATOM 367 CA GLN B 4 9.940 -0.602 -2.783 1.00 0.00 C ATOM 368 C GLN B 4 9.122 0.494 -2.099 1.00 0.00 C ATOM 369 O GLN B 4 8.074 0.239 -1.540 1.00 0.00 O ATOM 370 CB GLN B 4 9.469 -0.756 -4.231 1.00 0.00 C ATOM 371 CG GLN B 4 9.895 -2.122 -4.770 1.00 0.00 C ATOM 372 CD GLN B 4 9.057 -2.467 -6.003 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.074 -3.177 -5.905 1.00 0.00 O ATOM 374 NE2 GLN B 4 9.403 -1.990 -7.167 1.00 0.00 N ATOM 0 H GLN B 4 8.798 -2.064 -1.730 1.00 0.00 H new ATOM 0 HA GLN B 4 10.996 -0.333 -2.770 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.385 -0.656 -4.283 1.00 0.00 H new ATOM 0 HB3 GLN B 4 9.893 0.037 -4.847 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.954 -2.109 -5.029 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.764 -2.885 -4.003 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.227 -1.395 -7.250 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.849 -2.212 -7.994 1.00 0.00 H new ATOM 383 N HIS B 5 9.587 1.711 -2.140 1.00 0.00 N ATOM 384 CA HIS B 5 8.829 2.816 -1.492 1.00 0.00 C ATOM 385 C HIS B 5 7.499 3.015 -2.219 1.00 0.00 C ATOM 386 O HIS B 5 7.401 2.847 -3.419 1.00 0.00 O ATOM 387 CB HIS B 5 9.646 4.108 -1.555 1.00 0.00 C ATOM 388 CG HIS B 5 10.744 4.060 -0.529 1.00 0.00 C ATOM 389 ND1 HIS B 5 10.561 3.492 0.723 1.00 0.00 N ATOM 390 CD2 HIS B 5 12.042 4.504 -0.553 1.00 0.00 C ATOM 391 CE1 HIS B 5 11.721 3.610 1.394 1.00 0.00 C ATOM 392 NE2 HIS B 5 12.658 4.220 0.662 1.00 0.00 N ATOM 0 H HIS B 5 10.458 1.988 -2.593 1.00 0.00 H new ATOM 0 HA HIS B 5 8.639 2.562 -0.449 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.070 4.234 -2.551 1.00 0.00 H new ATOM 0 HB3 HIS B 5 9.001 4.968 -1.372 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.514 4.999 -1.389 1.00 0.00 H new ATOM 0 HE1 HIS B 5 11.876 3.255 2.402 1.00 0.00 H new ATOM 0 HE2 HIS B 5 13.618 4.432 0.935 1.00 0.00 H new ATOM 400 N LEU B 6 6.476 3.380 -1.498 1.00 0.00 N ATOM 401 CA LEU B 6 5.145 3.599 -2.134 1.00 0.00 C ATOM 402 C LEU B 6 4.665 5.017 -1.829 1.00 0.00 C ATOM 403 O LEU B 6 4.320 5.340 -0.709 1.00 0.00 O ATOM 404 CB LEU B 6 4.135 2.590 -1.586 1.00 0.00 C ATOM 405 CG LEU B 6 4.815 1.236 -1.395 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.929 0.335 -0.535 1.00 0.00 C ATOM 407 CD2 LEU B 6 5.033 0.580 -2.760 1.00 0.00 C ATOM 0 H LEU B 6 6.504 3.537 -0.491 1.00 0.00 H new ATOM 0 HA LEU B 6 5.235 3.466 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.732 2.943 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.294 2.492 -2.273 1.00 0.00 H new ATOM 0 HG LEU B 6 5.776 1.379 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.415 -0.631 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.771 0.801 0.437 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.968 0.191 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.518 -0.387 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.071 0.438 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.665 1.221 -3.375 1.00 0.00 H new ATOM 419 N CYS B 7 4.643 5.870 -2.816 1.00 0.00 N ATOM 420 CA CYS B 7 4.189 7.266 -2.579 1.00 0.00 C ATOM 421 C CYS B 7 3.255 7.698 -3.711 1.00 0.00 C ATOM 422 O CYS B 7 3.679 7.922 -4.826 1.00 0.00 O ATOM 423 CB CYS B 7 5.405 8.191 -2.535 1.00 0.00 C ATOM 424 SG CYS B 7 6.478 7.703 -1.163 1.00 0.00 S ATOM 0 H CYS B 7 4.920 5.659 -3.775 1.00 0.00 H new ATOM 0 HA CYS B 7 3.655 7.322 -1.631 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.952 8.137 -3.476 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.085 9.226 -2.411 1.00 0.00 H new ATOM 429 N GLY B 8 1.985 7.814 -3.430 1.00 0.00 N ATOM 430 CA GLY B 8 1.022 8.228 -4.490 1.00 0.00 C ATOM 431 C GLY B 8 0.290 6.996 -5.021 1.00 0.00 C ATOM 432 O GLY B 8 -0.303 6.245 -4.276 1.00 0.00 O ATOM 0 H GLY B 8 1.573 7.640 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.306 8.944 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.550 8.728 -5.301 1.00 0.00 H new ATOM 436 N SER B 9 0.330 6.782 -6.309 1.00 0.00 N ATOM 437 CA SER B 9 -0.364 5.596 -6.888 1.00 0.00 C ATOM 438 C SER B 9 0.495 4.347 -6.673 1.00 0.00 C ATOM 439 O SER B 9 0.039 3.234 -6.837 1.00 0.00 O ATOM 440 CB SER B 9 -0.581 5.815 -8.384 1.00 0.00 C ATOM 441 OG SER B 9 0.371 6.756 -8.863 1.00 0.00 O ATOM 0 H SER B 9 0.812 7.376 -6.984 1.00 0.00 H new ATOM 0 HA SER B 9 -1.328 5.462 -6.397 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.479 4.872 -8.920 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.592 6.178 -8.567 1.00 0.00 H new ATOM 0 HG SER B 9 0.236 6.898 -9.823 1.00 0.00 H new ATOM 447 N HIS B 10 1.736 4.524 -6.306 1.00 0.00 N ATOM 448 CA HIS B 10 2.621 3.346 -6.084 1.00 0.00 C ATOM 449 C HIS B 10 2.044 2.472 -4.969 1.00 0.00 C ATOM 450 O HIS B 10 2.054 1.261 -5.052 1.00 0.00 O ATOM 451 CB HIS B 10 4.016 3.822 -5.683 1.00 0.00 C ATOM 452 CG HIS B 10 4.928 3.766 -6.879 1.00 0.00 C ATOM 453 ND1 HIS B 10 4.915 4.740 -7.865 1.00 0.00 N ATOM 454 CD2 HIS B 10 5.883 2.857 -7.263 1.00 0.00 C ATOM 455 CE1 HIS B 10 5.837 4.399 -8.785 1.00 0.00 C ATOM 456 NE2 HIS B 10 6.455 3.258 -8.466 1.00 0.00 N ATOM 0 H HIS B 10 2.174 5.432 -6.151 1.00 0.00 H new ATOM 0 HA HIS B 10 2.684 2.766 -7.005 1.00 0.00 H new ATOM 0 HB2 HIS B 10 3.967 4.840 -5.297 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.410 3.196 -4.882 1.00 0.00 H new ATOM 0 HD2 HIS B 10 6.150 1.966 -6.714 1.00 0.00 H new ATOM 0 HE1 HIS B 10 6.051 4.977 -9.672 1.00 0.00 H new ATOM 0 HE2 HIS B 10 7.189 2.783 -8.992 1.00 0.00 H new ATOM 464 N LEU B 11 1.541 3.073 -3.924 1.00 0.00 N ATOM 465 CA LEU B 11 0.967 2.263 -2.814 1.00 0.00 C ATOM 466 C LEU B 11 -0.237 1.475 -3.328 1.00 0.00 C ATOM 467 O LEU B 11 -0.498 0.373 -2.892 1.00 0.00 O ATOM 468 CB LEU B 11 0.534 3.181 -1.670 1.00 0.00 C ATOM 469 CG LEU B 11 1.077 2.625 -0.353 1.00 0.00 C ATOM 470 CD1 LEU B 11 1.512 3.779 0.552 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.013 1.801 0.337 1.00 0.00 C ATOM 0 H LEU B 11 1.503 4.084 -3.792 1.00 0.00 H new ATOM 0 HA LEU B 11 1.723 1.570 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.909 4.191 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.553 3.247 -1.631 1.00 0.00 H new ATOM 0 HG LEU B 11 1.938 1.987 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.899 3.380 1.490 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.291 4.357 0.055 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.657 4.423 0.757 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.371 1.403 1.276 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.876 2.435 0.538 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.311 0.977 -0.311 1.00 0.00 H new ATOM 483 N VAL B 12 -0.967 2.021 -4.263 1.00 0.00 N ATOM 484 CA VAL B 12 -2.135 1.280 -4.805 1.00 0.00 C ATOM 485 C VAL B 12 -1.627 0.026 -5.519 1.00 0.00 C ATOM 486 O VAL B 12 -2.331 -0.956 -5.654 1.00 0.00 O ATOM 487 CB VAL B 12 -2.896 2.170 -5.791 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.832 1.315 -6.646 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.716 3.196 -5.010 1.00 0.00 C ATOM 0 H VAL B 12 -0.805 2.942 -4.671 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.809 0.998 -3.996 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.186 2.681 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.371 1.954 -7.346 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.248 0.580 -7.201 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.545 0.800 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.261 3.833 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.424 2.679 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.049 3.809 -4.403 1.00 0.00 H new ATOM 499 N GLU B 13 -0.400 0.053 -5.968 1.00 0.00 N ATOM 500 CA GLU B 13 0.169 -1.134 -6.662 1.00 0.00 C ATOM 501 C GLU B 13 0.515 -2.196 -5.617 1.00 0.00 C ATOM 502 O GLU B 13 0.601 -3.372 -5.914 1.00 0.00 O ATOM 503 CB GLU B 13 1.435 -0.727 -7.419 1.00 0.00 C ATOM 504 CG GLU B 13 1.050 0.105 -8.643 1.00 0.00 C ATOM 505 CD GLU B 13 2.195 0.080 -9.657 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.110 -0.706 -9.469 1.00 0.00 O ATOM 507 OE2 GLU B 13 2.140 0.846 -10.603 1.00 0.00 O ATOM 0 H GLU B 13 0.232 0.849 -5.883 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.557 -1.533 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.093 -0.152 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.988 -1.614 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.141 -0.292 -9.095 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.836 1.132 -8.346 1.00 0.00 H new ATOM 514 N ALA B 14 0.704 -1.789 -4.392 1.00 0.00 N ATOM 515 CA ALA B 14 1.034 -2.769 -3.322 1.00 0.00 C ATOM 516 C ALA B 14 -0.236 -3.077 -2.526 1.00 0.00 C ATOM 517 O ALA B 14 -0.284 -4.009 -1.747 1.00 0.00 O ATOM 518 CB ALA B 14 2.091 -2.171 -2.390 1.00 0.00 C ATOM 0 H ALA B 14 0.644 -0.818 -4.086 1.00 0.00 H new ATOM 0 HA ALA B 14 1.424 -3.685 -3.765 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.333 -2.889 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.991 -1.940 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.703 -1.258 -1.939 1.00 0.00 H new ATOM 524 N LEU B 15 -1.267 -2.296 -2.716 1.00 0.00 N ATOM 525 CA LEU B 15 -2.536 -2.540 -1.975 1.00 0.00 C ATOM 526 C LEU B 15 -3.339 -3.624 -2.694 1.00 0.00 C ATOM 527 O LEU B 15 -3.782 -4.583 -2.093 1.00 0.00 O ATOM 528 CB LEU B 15 -3.355 -1.248 -1.930 1.00 0.00 C ATOM 529 CG LEU B 15 -2.751 -0.299 -0.894 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.434 1.066 -0.992 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.960 -0.874 0.507 1.00 0.00 C ATOM 0 H LEU B 15 -1.283 -1.500 -3.353 1.00 0.00 H new ATOM 0 HA LEU B 15 -2.310 -2.864 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.362 -0.775 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.391 -1.470 -1.675 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.684 -0.185 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.003 1.742 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.285 1.477 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.501 0.953 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.530 -0.198 1.246 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -4.027 -0.988 0.698 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -2.473 -1.846 0.578 1.00 0.00 H new ATOM 543 N HIS B 16 -3.527 -3.481 -3.979 1.00 0.00 N ATOM 544 CA HIS B 16 -4.295 -4.510 -4.734 1.00 0.00 C ATOM 545 C HIS B 16 -3.589 -5.858 -4.594 1.00 0.00 C ATOM 546 O HIS B 16 -4.212 -6.899 -4.553 1.00 0.00 O ATOM 547 CB HIS B 16 -4.375 -4.103 -6.214 1.00 0.00 C ATOM 548 CG HIS B 16 -3.081 -4.430 -6.908 1.00 0.00 C ATOM 549 ND1 HIS B 16 -1.795 -4.023 -6.677 1.00 0.00 N flip ATOM 550 CD2 HIS B 16 -3.020 -5.283 -8.001 1.00 0.00 C flip ATOM 551 CE1 HIS B 16 -0.941 -4.608 -7.606 1.00 0.00 C flip ATOM 552 NE2 HIS B 16 -1.731 -5.358 -8.380 1.00 0.00 N flip ATOM 0 H HIS B 16 -3.183 -2.699 -4.536 1.00 0.00 H new ATOM 0 HA HIS B 16 -5.306 -4.590 -4.336 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -5.200 -4.625 -6.699 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -4.581 -3.036 -6.296 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -3.853 -5.792 -8.462 1.00 0.00 H new ATOM 0 HE1 HIS B 16 0.129 -4.483 -7.685 1.00 0.00 H new ATOM 0 HE2 HIS B 16 -1.397 -5.919 -9.163 1.00 0.00 H new ATOM 560 N LEU B 17 -2.287 -5.839 -4.512 1.00 0.00 N ATOM 561 CA LEU B 17 -1.528 -7.111 -4.364 1.00 0.00 C ATOM 562 C LEU B 17 -1.937 -7.785 -3.055 1.00 0.00 C ATOM 563 O LEU B 17 -1.960 -8.997 -2.946 1.00 0.00 O ATOM 564 CB LEU B 17 -0.031 -6.801 -4.339 1.00 0.00 C ATOM 565 CG LEU B 17 0.761 -8.099 -4.186 1.00 0.00 C ATOM 566 CD1 LEU B 17 0.488 -9.013 -5.384 1.00 0.00 C ATOM 567 CD2 LEU B 17 2.253 -7.773 -4.125 1.00 0.00 C ATOM 0 H LEU B 17 -1.715 -4.995 -4.541 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.746 -7.776 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.260 -6.292 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.197 -6.125 -3.514 1.00 0.00 H new ATOM 0 HG LEU B 17 0.457 -8.605 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.054 -9.938 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.577 -9.242 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.792 -8.510 -6.302 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.823 -8.696 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.553 -7.268 -5.043 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.449 -7.123 -3.272 1.00 0.00 H new ATOM 579 N VAL B 18 -2.268 -7.007 -2.060 1.00 0.00 N ATOM 580 CA VAL B 18 -2.685 -7.596 -0.757 1.00 0.00 C ATOM 581 C VAL B 18 -4.065 -8.239 -0.921 1.00 0.00 C ATOM 582 O VAL B 18 -4.382 -9.223 -0.282 1.00 0.00 O ATOM 583 CB VAL B 18 -2.755 -6.492 0.302 1.00 0.00 C ATOM 584 CG1 VAL B 18 -3.089 -7.109 1.662 1.00 0.00 C ATOM 585 CG2 VAL B 18 -1.402 -5.782 0.383 1.00 0.00 C ATOM 0 H VAL B 18 -2.267 -5.988 -2.094 1.00 0.00 H new ATOM 0 HA VAL B 18 -1.963 -8.350 -0.443 1.00 0.00 H new ATOM 0 HB VAL B 18 -3.529 -5.774 0.030 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -3.139 -6.323 2.416 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -4.051 -7.618 1.604 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -2.315 -7.826 1.936 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -1.448 -4.995 1.136 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.630 -6.501 0.656 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -1.163 -5.343 -0.586 1.00 0.00 H new ATOM 595 N CYS B 19 -4.883 -7.692 -1.778 1.00 0.00 N ATOM 596 CA CYS B 19 -6.237 -8.271 -1.994 1.00 0.00 C ATOM 597 C CYS B 19 -6.345 -8.770 -3.436 1.00 0.00 C ATOM 598 O CYS B 19 -6.082 -9.922 -3.723 1.00 0.00 O ATOM 599 CB CYS B 19 -7.297 -7.200 -1.746 1.00 0.00 C ATOM 600 SG CYS B 19 -8.181 -7.568 -0.208 1.00 0.00 S ATOM 0 H CYS B 19 -4.670 -6.867 -2.339 1.00 0.00 H new ATOM 0 HA CYS B 19 -6.394 -9.100 -1.305 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.829 -6.218 -1.682 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.997 -7.166 -2.581 1.00 0.00 H new ATOM 605 N GLY B 20 -6.721 -7.914 -4.347 1.00 0.00 N ATOM 606 CA GLY B 20 -6.836 -8.344 -5.770 1.00 0.00 C ATOM 607 C GLY B 20 -8.251 -8.833 -6.054 1.00 0.00 C ATOM 608 O GLY B 20 -9.087 -8.105 -6.550 1.00 0.00 O ATOM 0 H GLY B 20 -6.953 -6.937 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -6.590 -7.513 -6.431 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -6.119 -9.139 -5.977 1.00 0.00 H new ATOM 612 N GLU B 21 -8.512 -10.068 -5.750 1.00 0.00 N ATOM 613 CA GLU B 21 -9.862 -10.652 -5.998 1.00 0.00 C ATOM 614 C GLU B 21 -10.948 -9.616 -5.692 1.00 0.00 C ATOM 615 O GLU B 21 -11.657 -9.168 -6.573 1.00 0.00 O ATOM 616 CB GLU B 21 -10.061 -11.873 -5.096 1.00 0.00 C ATOM 617 CG GLU B 21 -9.396 -13.095 -5.733 1.00 0.00 C ATOM 618 CD GLU B 21 -8.250 -13.574 -4.839 1.00 0.00 C ATOM 619 OE1 GLU B 21 -8.531 -14.209 -3.837 1.00 0.00 O ATOM 620 OE2 GLU B 21 -7.109 -13.298 -5.175 1.00 0.00 O ATOM 0 H GLU B 21 -7.839 -10.711 -5.333 1.00 0.00 H new ATOM 0 HA GLU B 21 -9.934 -10.948 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -9.632 -11.685 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -11.125 -12.060 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -10.127 -13.893 -5.865 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.018 -12.842 -6.723 1.00 0.00 H new ATOM 627 N ARG B 22 -11.091 -9.237 -4.453 1.00 0.00 N ATOM 628 CA ARG B 22 -12.138 -8.237 -4.095 1.00 0.00 C ATOM 629 C ARG B 22 -11.643 -6.825 -4.421 1.00 0.00 C ATOM 630 O ARG B 22 -12.063 -6.216 -5.385 1.00 0.00 O ATOM 631 CB ARG B 22 -12.448 -8.336 -2.601 1.00 0.00 C ATOM 632 CG ARG B 22 -13.201 -9.637 -2.322 1.00 0.00 C ATOM 633 CD ARG B 22 -14.546 -9.316 -1.670 1.00 0.00 C ATOM 634 NE ARG B 22 -15.398 -10.538 -1.666 1.00 0.00 N ATOM 635 CZ ARG B 22 -16.461 -10.594 -0.909 1.00 0.00 C ATOM 636 NH1 ARG B 22 -16.784 -9.580 -0.154 1.00 0.00 N ATOM 637 NH2 ARG B 22 -17.203 -11.668 -0.910 1.00 0.00 N ATOM 0 H ARG B 22 -10.529 -9.576 -3.672 1.00 0.00 H new ATOM 0 HA ARG B 22 -13.041 -8.442 -4.670 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -11.524 -8.307 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -13.047 -7.482 -2.286 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -13.356 -10.186 -3.251 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -12.611 -10.278 -1.667 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -14.393 -8.962 -0.650 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -15.044 -8.514 -2.214 1.00 0.00 H new ATOM 0 HE ARG B 22 -15.151 -11.333 -2.256 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -16.206 -8.740 -0.154 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -17.615 -9.628 0.436 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -16.952 -12.461 -1.501 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -18.034 -11.715 -0.320 1.00 0.00 H new ATOM 651 N GLY B 23 -10.755 -6.298 -3.622 1.00 0.00 N ATOM 652 CA GLY B 23 -10.240 -4.925 -3.886 1.00 0.00 C ATOM 653 C GLY B 23 -9.859 -4.262 -2.561 1.00 0.00 C ATOM 654 O GLY B 23 -9.921 -4.875 -1.512 1.00 0.00 O ATOM 0 H GLY B 23 -10.365 -6.758 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -9.373 -4.970 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -10.999 -4.332 -4.397 1.00 0.00 H new ATOM 658 N PHE B 24 -9.464 -3.020 -2.594 1.00 0.00 N ATOM 659 CA PHE B 24 -9.080 -2.330 -1.331 1.00 0.00 C ATOM 660 C PHE B 24 -9.683 -0.924 -1.309 1.00 0.00 C ATOM 661 O PHE B 24 -10.184 -0.437 -2.303 1.00 0.00 O ATOM 662 CB PHE B 24 -7.555 -2.235 -1.249 1.00 0.00 C ATOM 663 CG PHE B 24 -7.007 -1.786 -2.579 1.00 0.00 C ATOM 664 CD1 PHE B 24 -6.928 -2.700 -3.631 1.00 0.00 C ATOM 665 CD2 PHE B 24 -6.584 -0.464 -2.762 1.00 0.00 C ATOM 666 CE1 PHE B 24 -6.424 -2.298 -4.873 1.00 0.00 C ATOM 667 CE2 PHE B 24 -6.081 -0.060 -4.005 1.00 0.00 C ATOM 668 CZ PHE B 24 -6.002 -0.976 -5.060 1.00 0.00 C ATOM 0 H PHE B 24 -9.390 -2.454 -3.439 1.00 0.00 H new ATOM 0 HA PHE B 24 -9.457 -2.896 -0.479 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -7.265 -1.532 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -7.134 -3.203 -0.978 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.256 -3.719 -3.486 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.645 0.242 -1.947 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.361 -3.006 -5.686 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.754 0.959 -4.149 1.00 0.00 H new ATOM 0 HZ PHE B 24 -5.615 -0.663 -6.019 1.00 0.00 H new ATOM 678 N PHE B 25 -9.630 -0.269 -0.181 1.00 0.00 N ATOM 679 CA PHE B 25 -10.193 1.106 -0.089 1.00 0.00 C ATOM 680 C PHE B 25 -9.063 2.088 0.226 1.00 0.00 C ATOM 681 O PHE B 25 -8.983 2.635 1.306 1.00 0.00 O ATOM 682 CB PHE B 25 -11.253 1.159 1.017 1.00 0.00 C ATOM 683 CG PHE B 25 -10.634 0.778 2.342 1.00 0.00 C ATOM 684 CD1 PHE B 25 -10.353 -0.564 2.624 1.00 0.00 C ATOM 685 CD2 PHE B 25 -10.344 1.766 3.289 1.00 0.00 C ATOM 686 CE1 PHE B 25 -9.781 -0.917 3.853 1.00 0.00 C ATOM 687 CE2 PHE B 25 -9.771 1.414 4.518 1.00 0.00 C ATOM 688 CZ PHE B 25 -9.490 0.073 4.799 1.00 0.00 C ATOM 0 H PHE B 25 -9.220 -0.628 0.681 1.00 0.00 H new ATOM 0 HA PHE B 25 -10.659 1.377 -1.037 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -11.677 2.161 1.079 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -12.072 0.480 0.780 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.577 -1.327 1.894 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.562 2.801 3.072 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.565 -1.952 4.071 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.546 2.178 5.248 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.048 -0.199 5.746 1.00 0.00 H new ATOM 698 N TYR B 26 -8.185 2.312 -0.712 1.00 0.00 N ATOM 699 CA TYR B 26 -7.056 3.253 -0.467 1.00 0.00 C ATOM 700 C TYR B 26 -7.593 4.681 -0.374 1.00 0.00 C ATOM 701 O TYR B 26 -8.386 5.111 -1.187 1.00 0.00 O ATOM 702 CB TYR B 26 -6.061 3.155 -1.625 1.00 0.00 C ATOM 703 CG TYR B 26 -4.825 3.969 -1.313 1.00 0.00 C ATOM 704 CD1 TYR B 26 -4.328 4.029 -0.005 1.00 0.00 C ATOM 705 CD2 TYR B 26 -4.173 4.661 -2.340 1.00 0.00 C ATOM 706 CE1 TYR B 26 -3.181 4.783 0.275 1.00 0.00 C ATOM 707 CE2 TYR B 26 -3.026 5.412 -2.061 1.00 0.00 C ATOM 708 CZ TYR B 26 -2.530 5.473 -0.753 1.00 0.00 C ATOM 709 OH TYR B 26 -1.399 6.214 -0.477 1.00 0.00 O ATOM 0 H TYR B 26 -8.200 1.884 -1.638 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.558 2.994 0.467 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.788 2.113 -1.794 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.523 3.516 -2.544 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.829 3.494 0.788 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.556 4.615 -3.349 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.799 4.832 1.284 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.523 5.945 -2.855 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.070 6.629 -1.302 1.00 0.00 H new ATOM 719 N THR B 27 -7.167 5.422 0.613 1.00 0.00 N ATOM 720 CA THR B 27 -7.659 6.820 0.755 1.00 0.00 C ATOM 721 C THR B 27 -6.471 7.787 0.771 1.00 0.00 C ATOM 722 O THR B 27 -6.162 8.369 1.791 1.00 0.00 O ATOM 723 CB THR B 27 -8.445 6.957 2.061 1.00 0.00 C ATOM 724 OG1 THR B 27 -9.455 5.961 2.110 1.00 0.00 O ATOM 725 CG2 THR B 27 -9.087 8.343 2.129 1.00 0.00 C ATOM 0 H THR B 27 -6.502 5.120 1.325 1.00 0.00 H new ATOM 0 HA THR B 27 -8.308 7.059 -0.087 1.00 0.00 H new ATOM 0 HB THR B 27 -7.770 6.831 2.907 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.958 6.046 2.947 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.647 8.440 3.059 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.310 9.106 2.092 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.763 8.473 1.284 1.00 0.00 H new ATOM 733 N PRO B 28 -5.843 7.929 -0.368 1.00 0.00 N ATOM 734 CA PRO B 28 -4.675 8.823 -0.547 1.00 0.00 C ATOM 735 C PRO B 28 -5.077 10.273 -0.263 1.00 0.00 C ATOM 736 O PRO B 28 -5.788 10.891 -1.031 1.00 0.00 O ATOM 737 CB PRO B 28 -4.244 8.667 -2.009 1.00 0.00 C ATOM 738 CG PRO B 28 -5.219 7.678 -2.679 1.00 0.00 C ATOM 739 CD PRO B 28 -6.220 7.217 -1.610 1.00 0.00 C ATOM 0 HA PRO B 28 -3.864 8.568 0.136 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -4.265 9.630 -2.519 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -3.221 8.296 -2.069 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -5.739 8.156 -3.509 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -4.678 6.826 -3.090 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -7.242 7.457 -1.903 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -6.173 6.137 -1.471 1.00 0.00 H new ATOM 747 N LYS B 29 -4.625 10.821 0.831 1.00 0.00 N ATOM 748 CA LYS B 29 -4.980 12.230 1.161 1.00 0.00 C ATOM 749 C LYS B 29 -4.171 12.688 2.376 1.00 0.00 C ATOM 750 O LYS B 29 -4.638 13.454 3.194 1.00 0.00 O ATOM 751 CB LYS B 29 -6.474 12.321 1.477 1.00 0.00 C ATOM 752 CG LYS B 29 -7.112 13.420 0.626 1.00 0.00 C ATOM 753 CD LYS B 29 -6.419 14.754 0.908 1.00 0.00 C ATOM 754 CE LYS B 29 -7.312 15.615 1.804 1.00 0.00 C ATOM 755 NZ LYS B 29 -6.475 16.617 2.524 1.00 0.00 N ATOM 0 H LYS B 29 -4.025 10.354 1.511 1.00 0.00 H new ATOM 0 HA LYS B 29 -4.751 12.871 0.310 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -6.957 11.365 1.276 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -6.620 12.536 2.536 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -7.027 13.171 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -8.176 13.497 0.851 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -5.458 14.581 1.393 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -6.215 15.275 -0.028 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -8.068 16.121 1.204 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -7.842 14.986 2.520 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -7.081 17.202 3.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -5.770 16.124 3.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -5.989 17.224 1.833 1.00 0.00 H new ATOM 769 N THR B 30 -2.956 12.225 2.497 1.00 0.00 N ATOM 770 CA THR B 30 -2.116 12.633 3.656 1.00 0.00 C ATOM 771 C THR B 30 -0.657 12.755 3.208 1.00 0.00 C ATOM 772 O THR B 30 -0.431 12.841 2.013 1.00 0.00 O ATOM 773 CB THR B 30 -2.224 11.577 4.761 1.00 0.00 C ATOM 774 OG1 THR B 30 -1.639 12.081 5.953 1.00 0.00 O ATOM 775 CG2 THR B 30 -1.493 10.307 4.328 1.00 0.00 C ATOM 776 OXT THR B 30 0.207 12.757 4.070 1.00 0.00 O ATOM 0 H THR B 30 -2.510 11.582 1.843 1.00 0.00 H new ATOM 0 HA THR B 30 -2.462 13.594 4.037 1.00 0.00 H new ATOM 0 HB THR B 30 -3.273 11.344 4.942 1.00 0.00 H new ATOM 0 HG1 THR B 30 -0.779 12.502 5.743 1.00 0.00 H new ATOM 0 HG21 THR B 30 -1.570 9.556 5.115 1.00 0.00 H new ATOM 0 HG22 THR B 30 -1.944 9.922 3.413 1.00 0.00 H new ATOM 0 HG23 THR B 30 -0.443 10.536 4.147 1.00 0.00 H new TER 784 THR B 30