USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 12 SER OG : rot 180:sc= 0.442 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.435 X(o=0.88,f=0.99) USER MOD Set 2.1: A 1 GLY N :NH3+ -161:sc= 0.87 (180deg=-0.105) USER MOD Set 2.2: B 30 THR OG1 : rot 41:sc= 0.737 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.194 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.09 X(o=0.09,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.446 X(o=0.45,f=0) USER MOD Single : B 1 PHE N :NH3+ 148:sc= 0.158 (180deg=0.0342) USER MOD Single : B 3 ASN : amide:sc=-0.00443 X(o=-0.0044,f=-0.13) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.865 K(o=0.86,f=-2.7!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 0.99 K(o=0.99,f=-3!) 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 ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.684 10.982 -2.849 1.00 0.00 N ATOM 2 CA GLY A 1 -3.773 9.519 -2.694 1.00 0.00 C ATOM 3 C GLY A 1 -2.457 8.866 -3.059 1.00 0.00 C ATOM 4 O GLY A 1 -1.403 9.352 -2.648 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.447 11.436 -2.307 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.764 11.313 -2.495 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.778 11.231 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.035 9.272 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.568 9.128 -3.329 1.00 0.00 H new ATOM 10 N ILE A 2 -2.492 7.773 -3.831 1.00 0.00 N ATOM 11 CA ILE A 2 -1.284 7.166 -4.433 1.00 0.00 C ATOM 12 C ILE A 2 -1.172 7.378 -5.948 1.00 0.00 C ATOM 13 O ILE A 2 -0.059 7.385 -6.467 1.00 0.00 O ATOM 14 CB ILE A 2 -1.155 5.668 -4.064 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.313 4.788 -4.584 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.966 5.544 -2.543 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.112 3.294 -4.303 1.00 0.00 C ATOM 0 H ILE A 2 -3.355 7.280 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.441 7.701 -3.996 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.277 5.276 -4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.245 5.115 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.420 4.938 -5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.874 4.492 -2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.063 6.076 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.827 5.976 -2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.961 2.733 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.197 2.953 -4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.035 3.133 -3.228 1.00 0.00 H new ATOM 29 N VAL A 3 -2.292 7.584 -6.648 1.00 0.00 N ATOM 30 CA VAL A 3 -2.341 7.659 -8.125 1.00 0.00 C ATOM 31 C VAL A 3 -1.592 8.882 -8.680 1.00 0.00 C ATOM 32 O VAL A 3 -0.963 8.771 -9.732 1.00 0.00 O ATOM 33 CB VAL A 3 -3.805 7.621 -8.626 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.955 7.927 -10.126 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.409 6.232 -8.362 1.00 0.00 C ATOM 0 H VAL A 3 -3.204 7.706 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.822 6.780 -8.508 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.328 8.402 -8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.008 7.882 -10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.567 8.924 -10.334 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.396 7.192 -10.705 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.440 6.210 -8.716 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.828 5.476 -8.890 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.389 6.024 -7.292 1.00 0.00 H new ATOM 45 N GLU A 4 -1.608 10.018 -7.972 1.00 0.00 N ATOM 46 CA GLU A 4 -0.750 11.166 -8.289 1.00 0.00 C ATOM 47 C GLU A 4 0.608 11.061 -7.578 1.00 0.00 C ATOM 48 O GLU A 4 1.640 11.294 -8.201 1.00 0.00 O ATOM 49 CB GLU A 4 -1.468 12.504 -7.999 1.00 0.00 C ATOM 50 CG GLU A 4 -1.491 13.037 -6.554 1.00 0.00 C ATOM 51 CD GLU A 4 -2.340 12.211 -5.584 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.110 10.987 -5.428 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.244 12.786 -4.938 1.00 0.00 O ATOM 0 H GLU A 4 -2.214 10.167 -7.165 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.546 11.147 -9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.007 13.268 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.502 12.402 -8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.468 13.076 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.866 14.060 -6.564 1.00 0.00 H new ATOM 60 N GLN A 5 0.627 10.678 -6.295 1.00 0.00 N ATOM 61 CA GLN A 5 1.830 10.723 -5.458 1.00 0.00 C ATOM 62 C GLN A 5 2.934 9.784 -5.957 1.00 0.00 C ATOM 63 O GLN A 5 4.098 10.177 -5.972 1.00 0.00 O ATOM 64 CB GLN A 5 1.434 10.404 -4.007 1.00 0.00 C ATOM 65 CG GLN A 5 2.600 10.422 -2.999 1.00 0.00 C ATOM 66 CD GLN A 5 3.298 11.778 -2.840 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.806 12.836 -3.217 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.484 11.804 -2.260 1.00 0.00 N ATOM 0 H GLN A 5 -0.197 10.327 -5.807 1.00 0.00 H new ATOM 0 HA GLN A 5 2.252 11.726 -5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.682 11.124 -3.684 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.965 9.420 -3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.224 10.108 -2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.340 9.684 -3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.913 10.937 -1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.971 12.691 -2.134 1.00 0.00 H new ATOM 77 N CYS A 6 2.598 8.570 -6.403 1.00 0.00 N ATOM 78 CA CYS A 6 3.571 7.637 -6.989 1.00 0.00 C ATOM 79 C CYS A 6 3.937 7.985 -8.441 1.00 0.00 C ATOM 80 O CYS A 6 4.904 7.462 -8.999 1.00 0.00 O ATOM 81 CB CYS A 6 2.998 6.228 -6.897 1.00 0.00 C ATOM 82 SG CYS A 6 4.224 4.924 -7.180 1.00 0.00 S ATOM 0 H CYS A 6 1.646 8.205 -6.369 1.00 0.00 H new ATOM 0 HA CYS A 6 4.501 7.711 -6.425 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.554 6.089 -5.911 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.194 6.124 -7.626 1.00 0.00 H new ATOM 87 N CYS A 7 3.162 8.871 -9.067 1.00 0.00 N ATOM 88 CA CYS A 7 3.429 9.389 -10.408 1.00 0.00 C ATOM 89 C CYS A 7 4.403 10.584 -10.389 1.00 0.00 C ATOM 90 O CYS A 7 5.289 10.656 -11.247 1.00 0.00 O ATOM 91 CB CYS A 7 2.090 9.732 -11.072 1.00 0.00 C ATOM 92 SG CYS A 7 2.184 10.051 -12.848 1.00 0.00 S ATOM 0 H CYS A 7 2.315 9.256 -8.648 1.00 0.00 H new ATOM 0 HA CYS A 7 3.933 8.623 -10.998 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.395 8.910 -10.901 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.672 10.611 -10.581 1.00 0.00 H new ATOM 97 N THR A 8 4.275 11.498 -9.414 1.00 0.00 N ATOM 98 CA THR A 8 5.151 12.675 -9.237 1.00 0.00 C ATOM 99 C THR A 8 6.382 12.348 -8.396 1.00 0.00 C ATOM 100 O THR A 8 7.501 12.654 -8.804 1.00 0.00 O ATOM 101 CB THR A 8 4.381 13.847 -8.616 1.00 0.00 C ATOM 102 OG1 THR A 8 3.784 13.447 -7.402 1.00 0.00 O ATOM 103 CG2 THR A 8 3.284 14.356 -9.550 1.00 0.00 C ATOM 0 H THR A 8 3.542 11.441 -8.707 1.00 0.00 H new ATOM 0 HA THR A 8 5.493 12.968 -10.230 1.00 0.00 H new ATOM 0 HB THR A 8 5.098 14.649 -8.441 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.296 14.203 -7.013 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.760 15.186 -9.077 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.730 14.694 -10.485 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.578 13.551 -9.755 1.00 0.00 H new ATOM 111 N SER A 9 6.192 11.696 -7.254 1.00 0.00 N ATOM 112 CA SER A 9 7.240 11.057 -6.453 1.00 0.00 C ATOM 113 C SER A 9 7.292 9.546 -6.761 1.00 0.00 C ATOM 114 O SER A 9 7.053 9.138 -7.898 1.00 0.00 O ATOM 115 CB SER A 9 7.005 11.382 -4.965 1.00 0.00 C ATOM 116 OG SER A 9 8.128 11.029 -4.166 1.00 0.00 O ATOM 0 H SER A 9 5.266 11.592 -6.840 1.00 0.00 H new ATOM 0 HA SER A 9 8.224 11.449 -6.712 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.799 12.446 -4.853 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.124 10.848 -4.610 1.00 0.00 H new ATOM 0 HG SER A 9 7.945 11.250 -3.229 1.00 0.00 H new ATOM 122 N ILE A 10 7.624 8.702 -5.782 1.00 0.00 N ATOM 123 CA ILE A 10 7.772 7.239 -5.913 1.00 0.00 C ATOM 124 C ILE A 10 6.884 6.467 -4.923 1.00 0.00 C ATOM 125 O ILE A 10 6.425 7.008 -3.914 1.00 0.00 O ATOM 126 CB ILE A 10 9.258 6.828 -5.727 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.853 7.349 -4.394 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.084 7.288 -6.937 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.204 6.731 -4.033 1.00 0.00 C ATOM 0 H ILE A 10 7.806 9.027 -4.833 1.00 0.00 H new ATOM 0 HA ILE A 10 7.443 6.975 -6.918 1.00 0.00 H new ATOM 0 HB ILE A 10 9.300 5.740 -5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.965 8.431 -4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.146 7.148 -3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.125 6.996 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.694 6.823 -7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.020 8.372 -7.030 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.553 7.147 -3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.096 5.651 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.927 6.954 -4.817 1.00 0.00 H new ATOM 141 N CYS A 11 6.707 5.172 -5.183 1.00 0.00 N ATOM 142 CA CYS A 11 6.155 4.187 -4.245 1.00 0.00 C ATOM 143 C CYS A 11 6.751 2.792 -4.497 1.00 0.00 C ATOM 144 O CYS A 11 7.507 2.591 -5.449 1.00 0.00 O ATOM 145 CB CYS A 11 4.617 4.192 -4.270 1.00 0.00 C ATOM 146 SG CYS A 11 3.818 3.534 -5.759 1.00 0.00 S ATOM 0 H CYS A 11 6.952 4.762 -6.084 1.00 0.00 H new ATOM 0 HA CYS A 11 6.446 4.474 -3.235 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.262 3.619 -3.413 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.279 5.219 -4.129 1.00 0.00 H new ATOM 151 N SER A 12 6.442 1.831 -3.632 1.00 0.00 N ATOM 152 CA SER A 12 7.072 0.499 -3.613 1.00 0.00 C ATOM 153 C SER A 12 6.024 -0.616 -3.550 1.00 0.00 C ATOM 154 O SER A 12 4.876 -0.371 -3.183 1.00 0.00 O ATOM 155 CB SER A 12 8.015 0.367 -2.405 1.00 0.00 C ATOM 156 OG SER A 12 8.788 1.541 -2.189 1.00 0.00 O ATOM 0 H SER A 12 5.734 1.951 -2.907 1.00 0.00 H new ATOM 0 HA SER A 12 7.639 0.397 -4.538 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.429 0.152 -1.512 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.682 -0.481 -2.560 1.00 0.00 H new ATOM 0 HG SER A 12 9.370 1.411 -1.411 1.00 0.00 H new ATOM 162 N LEU A 13 6.407 -1.863 -3.849 1.00 0.00 N ATOM 163 CA LEU A 13 5.477 -2.997 -3.917 1.00 0.00 C ATOM 164 C LEU A 13 4.810 -3.268 -2.561 1.00 0.00 C ATOM 165 O LEU A 13 3.606 -3.497 -2.489 1.00 0.00 O ATOM 166 CB LEU A 13 6.228 -4.235 -4.446 1.00 0.00 C ATOM 167 CG LEU A 13 7.010 -4.050 -5.768 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.542 -5.409 -6.238 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.196 -3.399 -6.895 1.00 0.00 C ATOM 0 H LEU A 13 7.374 -2.115 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 13 4.669 -2.753 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.928 -4.565 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.506 -5.039 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 13 7.825 -3.361 -5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.093 -5.281 -7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.204 -5.823 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.707 -6.090 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.817 -3.306 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.328 -4.018 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.864 -2.410 -6.579 1.00 0.00 H new ATOM 181 N TYR A 14 5.561 -3.152 -1.462 1.00 0.00 N ATOM 182 CA TYR A 14 5.001 -3.254 -0.106 1.00 0.00 C ATOM 183 C TYR A 14 4.031 -2.112 0.238 1.00 0.00 C ATOM 184 O TYR A 14 3.067 -2.304 0.983 1.00 0.00 O ATOM 185 CB TYR A 14 6.138 -3.335 0.917 1.00 0.00 C ATOM 186 CG TYR A 14 6.854 -2.044 1.276 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.394 -1.260 2.354 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.001 -1.643 0.564 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.079 -0.085 2.721 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.692 -0.470 0.929 1.00 0.00 C ATOM 191 CZ TYR A 14 8.231 0.315 2.008 1.00 0.00 C ATOM 192 OH TYR A 14 8.892 1.456 2.349 1.00 0.00 O ATOM 0 H TYR A 14 6.567 -2.986 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 14 4.408 -4.168 -0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.734 -3.762 1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.881 -4.037 0.539 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.513 -1.562 2.901 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.353 -2.237 -0.266 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.723 0.511 3.548 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.575 -0.172 0.383 1.00 0.00 H new ATOM 0 HH TYR A 14 9.662 1.578 1.755 1.00 0.00 H new ATOM 202 N GLN A 15 4.270 -0.928 -0.333 1.00 0.00 N ATOM 203 CA GLN A 15 3.401 0.240 -0.166 1.00 0.00 C ATOM 204 C GLN A 15 2.129 0.122 -1.018 1.00 0.00 C ATOM 205 O GLN A 15 1.075 0.581 -0.588 1.00 0.00 O ATOM 206 CB GLN A 15 4.143 1.546 -0.502 1.00 0.00 C ATOM 207 CG GLN A 15 5.380 1.800 0.377 1.00 0.00 C ATOM 208 CD GLN A 15 5.966 3.199 0.153 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.495 4.192 0.697 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.987 3.363 -0.663 1.00 0.00 N ATOM 0 H GLN A 15 5.079 -0.752 -0.929 1.00 0.00 H new ATOM 0 HA GLN A 15 3.109 0.270 0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.451 1.520 -1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.453 2.383 -0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.109 1.684 1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.140 1.049 0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.401 2.556 -1.131 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.364 4.297 -0.827 1.00 0.00 H new ATOM 219 N LEU A 16 2.192 -0.543 -2.180 1.00 0.00 N ATOM 220 CA LEU A 16 1.017 -0.937 -2.964 1.00 0.00 C ATOM 221 C LEU A 16 0.182 -1.989 -2.217 1.00 0.00 C ATOM 222 O LEU A 16 -1.036 -1.866 -2.143 1.00 0.00 O ATOM 223 CB LEU A 16 1.469 -1.465 -4.341 1.00 0.00 C ATOM 224 CG LEU A 16 2.035 -0.407 -5.308 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.522 -1.117 -6.580 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.004 0.665 -5.691 1.00 0.00 C ATOM 0 H LEU A 16 3.074 -0.826 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 16 0.382 -0.063 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.228 -2.231 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.619 -1.951 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 16 2.852 0.104 -4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.926 -0.381 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.299 -1.836 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.687 -1.638 -7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.461 1.382 -6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.152 0.192 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.667 1.183 -4.793 1.00 0.00 H new ATOM 238 N GLU A 17 0.825 -2.993 -1.614 1.00 0.00 N ATOM 239 CA GLU A 17 0.152 -4.086 -0.898 1.00 0.00 C ATOM 240 C GLU A 17 -0.690 -3.608 0.308 1.00 0.00 C ATOM 241 O GLU A 17 -1.673 -4.257 0.669 1.00 0.00 O ATOM 242 CB GLU A 17 1.208 -5.125 -0.482 1.00 0.00 C ATOM 243 CG GLU A 17 0.581 -6.449 -0.022 1.00 0.00 C ATOM 244 CD GLU A 17 1.627 -7.547 0.233 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.647 -7.288 0.912 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.401 -8.695 -0.217 1.00 0.00 O ATOM 0 H GLU A 17 1.842 -3.073 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.570 -4.541 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.876 -5.316 -1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.818 -4.716 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.011 -6.278 0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.124 -6.794 -0.778 1.00 0.00 H new ATOM 253 N ASN A 18 -0.382 -2.439 0.883 1.00 0.00 N ATOM 254 CA ASN A 18 -1.194 -1.783 1.918 1.00 0.00 C ATOM 255 C ASN A 18 -2.667 -1.554 1.496 1.00 0.00 C ATOM 256 O ASN A 18 -3.564 -1.530 2.343 1.00 0.00 O ATOM 257 CB ASN A 18 -0.515 -0.448 2.267 1.00 0.00 C ATOM 258 CG ASN A 18 -1.268 0.328 3.342 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.209 0.008 4.522 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.002 1.364 2.966 1.00 0.00 N ATOM 0 H ASN A 18 0.456 -1.911 0.637 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.244 -2.442 2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.502 -0.640 2.608 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.440 0.163 1.368 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.522 1.900 3.661 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.048 1.626 1.981 1.00 0.00 H new ATOM 267 N TYR A 19 -2.922 -1.398 0.193 1.00 0.00 N ATOM 268 CA TYR A 19 -4.241 -1.139 -0.400 1.00 0.00 C ATOM 269 C TYR A 19 -4.980 -2.418 -0.849 1.00 0.00 C ATOM 270 O TYR A 19 -6.055 -2.346 -1.450 1.00 0.00 O ATOM 271 CB TYR A 19 -4.034 -0.140 -1.547 1.00 0.00 C ATOM 272 CG TYR A 19 -3.553 1.211 -1.056 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.481 2.177 -0.624 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.173 1.469 -0.933 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.032 3.387 -0.063 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.718 2.675 -0.369 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.650 3.641 0.071 1.00 0.00 C ATOM 278 OH TYR A 19 -2.221 4.798 0.647 1.00 0.00 O ATOM 0 H TYR A 19 -2.184 -1.451 -0.509 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.902 -0.717 0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.309 -0.546 -2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.971 -0.014 -2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.540 1.989 -0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.459 0.735 -1.275 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.748 4.125 0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.659 2.862 -0.273 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.241 4.813 0.661 1.00 0.00 H new ATOM 288 N CYS A 20 -4.419 -3.592 -0.554 1.00 0.00 N ATOM 289 CA CYS A 20 -4.975 -4.915 -0.869 1.00 0.00 C ATOM 290 C CYS A 20 -5.561 -5.650 0.348 1.00 0.00 C ATOM 291 O CYS A 20 -5.309 -5.283 1.503 1.00 0.00 O ATOM 292 CB CYS A 20 -3.883 -5.742 -1.541 1.00 0.00 C ATOM 293 SG CYS A 20 -3.260 -4.951 -3.040 1.00 0.00 S ATOM 0 H CYS A 20 -3.525 -3.652 -0.067 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.822 -4.773 -1.540 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.060 -5.892 -0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.276 -6.728 -1.788 1.00 0.00 H new ATOM 298 N ASN A 21 -6.358 -6.691 0.083 1.00 0.00 N ATOM 299 CA ASN A 21 -6.994 -7.545 1.105 1.00 0.00 C ATOM 300 C ASN A 21 -5.971 -8.408 1.874 1.00 0.00 C ATOM 301 O ASN A 21 -4.964 -8.851 1.275 1.00 0.00 O ATOM 302 CB ASN A 21 -8.094 -8.393 0.422 1.00 0.00 C ATOM 303 CG ASN A 21 -9.189 -8.921 1.344 1.00 0.00 C ATOM 304 OD1 ASN A 21 -10.354 -8.986 0.974 1.00 0.00 O ATOM 305 ND2 ASN A 21 -8.883 -9.313 2.560 1.00 0.00 N ATOM 306 OXT ASN A 21 -6.214 -8.663 3.076 1.00 0.00 O ATOM 0 H ASN A 21 -6.587 -6.974 -0.870 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.452 -6.913 1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.560 -7.791 -0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.619 -9.241 -0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.612 -9.665 3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.917 -9.265 2.883 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.556 -5.479 -1.217 1.00 0.00 N ATOM 315 CA PHE B 1 11.523 -4.820 -2.059 1.00 0.00 C ATOM 316 C PHE B 1 12.174 -3.916 -3.125 1.00 0.00 C ATOM 317 O PHE B 1 13.400 -3.875 -3.238 1.00 0.00 O ATOM 318 CB PHE B 1 10.512 -4.042 -1.187 1.00 0.00 C ATOM 319 CG PHE B 1 9.777 -4.885 -0.156 1.00 0.00 C ATOM 320 CD1 PHE B 1 8.885 -5.894 -0.574 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.963 -4.651 1.220 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.200 -6.671 0.381 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.274 -5.423 2.172 1.00 0.00 C ATOM 324 CZ PHE B 1 8.395 -6.436 1.751 1.00 0.00 C ATOM 0 H1 PHE B 1 12.185 -5.613 -0.255 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.800 -6.403 -1.626 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.407 -4.882 -1.180 1.00 0.00 H new ATOM 0 HA PHE B 1 10.968 -5.596 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.040 -3.241 -0.670 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.778 -3.570 -1.840 1.00 0.00 H new ATOM 0 HD1 PHE B 1 8.727 -6.071 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.639 -3.874 1.546 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.524 -7.449 0.058 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.420 -5.238 3.226 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.870 -7.033 2.482 1.00 0.00 H new ATOM 336 N VAL B 2 11.373 -3.178 -3.909 1.00 0.00 N ATOM 337 CA VAL B 2 11.825 -2.228 -4.948 1.00 0.00 C ATOM 338 C VAL B 2 10.811 -1.086 -5.116 1.00 0.00 C ATOM 339 O VAL B 2 9.606 -1.301 -4.977 1.00 0.00 O ATOM 340 CB VAL B 2 12.115 -2.956 -6.288 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.869 -3.599 -6.918 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.792 -2.034 -7.315 1.00 0.00 C ATOM 0 H VAL B 2 10.357 -3.225 -3.838 1.00 0.00 H new ATOM 0 HA VAL B 2 12.765 -1.783 -4.622 1.00 0.00 H new ATOM 0 HB VAL B 2 12.803 -3.759 -6.023 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.145 -4.090 -7.851 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.452 -4.335 -6.230 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.125 -2.829 -7.120 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.975 -2.588 -8.236 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.142 -1.184 -7.525 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.740 -1.675 -6.913 1.00 0.00 H new ATOM 352 N ASN B 3 11.311 0.125 -5.387 1.00 0.00 N ATOM 353 CA ASN B 3 10.522 1.340 -5.633 1.00 0.00 C ATOM 354 C ASN B 3 10.529 1.760 -7.112 1.00 0.00 C ATOM 355 O ASN B 3 11.486 1.493 -7.841 1.00 0.00 O ATOM 356 CB ASN B 3 11.031 2.474 -4.727 1.00 0.00 C ATOM 357 CG ASN B 3 12.443 2.935 -5.091 1.00 0.00 C ATOM 358 OD1 ASN B 3 13.430 2.320 -4.707 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.584 4.009 -5.848 1.00 0.00 N ATOM 0 H ASN B 3 12.315 0.293 -5.443 1.00 0.00 H new ATOM 0 HA ASN B 3 9.483 1.121 -5.388 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.348 3.321 -4.795 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.020 2.138 -3.690 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.516 4.327 -6.113 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.761 4.520 -6.167 1.00 0.00 H new ATOM 366 N GLN B 4 9.464 2.439 -7.547 1.00 0.00 N ATOM 367 CA GLN B 4 9.247 2.888 -8.925 1.00 0.00 C ATOM 368 C GLN B 4 8.450 4.205 -8.951 1.00 0.00 C ATOM 369 O GLN B 4 7.806 4.581 -7.971 1.00 0.00 O ATOM 370 CB GLN B 4 8.470 1.799 -9.705 1.00 0.00 C ATOM 371 CG GLN B 4 9.269 0.507 -9.951 1.00 0.00 C ATOM 372 CD GLN B 4 8.513 -0.466 -10.859 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.906 -1.428 -10.410 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.509 -0.253 -12.160 1.00 0.00 N ATOM 0 H GLN B 4 8.700 2.701 -6.925 1.00 0.00 H new ATOM 0 HA GLN B 4 10.217 3.060 -9.392 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.562 1.552 -9.155 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.159 2.209 -10.666 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.229 0.754 -10.403 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.481 0.024 -8.997 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.011 0.546 -12.548 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.004 -0.887 -12.779 1.00 0.00 H new ATOM 383 N HIS B 5 8.441 4.882 -10.104 1.00 0.00 N ATOM 384 CA HIS B 5 7.383 5.828 -10.465 1.00 0.00 C ATOM 385 C HIS B 5 6.269 5.049 -11.193 1.00 0.00 C ATOM 386 O HIS B 5 6.550 4.326 -12.156 1.00 0.00 O ATOM 387 CB HIS B 5 7.917 6.928 -11.397 1.00 0.00 C ATOM 388 CG HIS B 5 9.032 7.772 -10.835 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.898 8.814 -9.950 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.354 7.709 -11.183 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.108 9.368 -9.767 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.037 8.725 -10.498 1.00 0.00 N ATOM 0 H HIS B 5 9.168 4.789 -10.813 1.00 0.00 H new ATOM 0 HA HIS B 5 7.005 6.302 -9.559 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.267 6.461 -12.318 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.089 7.584 -11.667 1.00 0.00 H new ATOM 0 HD1 HIS B 5 8.029 9.115 -9.508 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.795 6.999 -11.867 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.307 10.212 -9.123 1.00 0.00 H new ATOM 400 N LEU B 6 5.017 5.190 -10.758 1.00 0.00 N ATOM 401 CA LEU B 6 3.859 4.471 -11.298 1.00 0.00 C ATOM 402 C LEU B 6 2.656 5.420 -11.366 1.00 0.00 C ATOM 403 O LEU B 6 2.337 6.098 -10.392 1.00 0.00 O ATOM 404 CB LEU B 6 3.539 3.255 -10.407 1.00 0.00 C ATOM 405 CG LEU B 6 4.632 2.175 -10.284 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.252 1.192 -9.170 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.809 1.402 -11.601 1.00 0.00 C ATOM 0 H LEU B 6 4.772 5.825 -9.999 1.00 0.00 H new ATOM 0 HA LEU B 6 4.084 4.114 -12.303 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.307 3.619 -9.406 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.635 2.781 -10.791 1.00 0.00 H new ATOM 0 HG LEU B 6 5.574 2.671 -10.049 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.023 0.427 -9.081 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.163 1.729 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.299 0.720 -9.410 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.587 0.649 -11.479 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.871 0.915 -11.866 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.095 2.094 -12.393 1.00 0.00 H new ATOM 419 N CYS B 7 1.976 5.453 -12.511 1.00 0.00 N ATOM 420 CA CYS B 7 0.858 6.360 -12.793 1.00 0.00 C ATOM 421 C CYS B 7 -0.377 5.574 -13.246 1.00 0.00 C ATOM 422 O CYS B 7 -0.265 4.667 -14.076 1.00 0.00 O ATOM 423 CB CYS B 7 1.267 7.333 -13.912 1.00 0.00 C ATOM 424 SG CYS B 7 2.796 8.279 -13.650 1.00 0.00 S ATOM 0 H CYS B 7 2.192 4.833 -13.292 1.00 0.00 H new ATOM 0 HA CYS B 7 0.615 6.907 -11.882 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.372 6.764 -14.836 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.451 8.040 -14.064 1.00 0.00 H new ATOM 429 N GLY B 8 -1.552 5.948 -12.729 1.00 0.00 N ATOM 430 CA GLY B 8 -2.875 5.556 -13.245 1.00 0.00 C ATOM 431 C GLY B 8 -3.025 4.062 -13.542 1.00 0.00 C ATOM 432 O GLY B 8 -2.907 3.220 -12.653 1.00 0.00 O ATOM 0 H GLY B 8 -1.614 6.554 -11.911 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.634 5.847 -12.519 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.075 6.117 -14.158 1.00 0.00 H new ATOM 436 N SER B 9 -3.275 3.728 -14.805 1.00 0.00 N ATOM 437 CA SER B 9 -3.428 2.351 -15.287 1.00 0.00 C ATOM 438 C SER B 9 -2.197 1.470 -15.010 1.00 0.00 C ATOM 439 O SER B 9 -2.354 0.306 -14.648 1.00 0.00 O ATOM 440 CB SER B 9 -3.738 2.371 -16.794 1.00 0.00 C ATOM 441 OG SER B 9 -2.811 3.184 -17.510 1.00 0.00 O ATOM 0 H SER B 9 -3.380 4.423 -15.544 1.00 0.00 H new ATOM 0 HA SER B 9 -4.254 1.905 -14.733 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.709 1.354 -17.185 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.749 2.745 -16.953 1.00 0.00 H new ATOM 0 HG SER B 9 -3.035 3.173 -18.464 1.00 0.00 H new ATOM 447 N HIS B 10 -0.974 2.004 -15.083 1.00 0.00 N ATOM 448 CA HIS B 10 0.247 1.254 -14.758 1.00 0.00 C ATOM 449 C HIS B 10 0.458 1.086 -13.240 1.00 0.00 C ATOM 450 O HIS B 10 1.006 0.067 -12.814 1.00 0.00 O ATOM 451 CB HIS B 10 1.452 1.906 -15.444 1.00 0.00 C ATOM 452 CG HIS B 10 1.427 1.754 -16.944 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.414 0.567 -17.646 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.419 2.766 -17.868 1.00 0.00 C ATOM 455 CE1 HIS B 10 1.398 0.860 -18.957 1.00 0.00 C ATOM 456 NE2 HIS B 10 1.407 2.194 -19.148 1.00 0.00 N ATOM 0 H HIS B 10 -0.801 2.968 -15.369 1.00 0.00 H new ATOM 0 HA HIS B 10 0.134 0.241 -15.145 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.477 2.966 -15.192 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.369 1.464 -15.054 1.00 0.00 H new ATOM 0 HD1 HIS B 10 1.416 -0.369 -17.241 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.422 3.823 -17.648 1.00 0.00 H new ATOM 0 HE1 HIS B 10 1.380 0.127 -19.750 1.00 0.00 H new ATOM 464 N LEU B 11 -0.041 2.009 -12.404 1.00 0.00 N ATOM 465 CA LEU B 11 -0.140 1.778 -10.958 1.00 0.00 C ATOM 466 C LEU B 11 -1.162 0.679 -10.652 1.00 0.00 C ATOM 467 O LEU B 11 -0.847 -0.230 -9.890 1.00 0.00 O ATOM 468 CB LEU B 11 -0.433 3.104 -10.225 1.00 0.00 C ATOM 469 CG LEU B 11 -0.458 2.926 -8.687 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.153 4.146 -7.992 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.879 2.704 -8.140 1.00 0.00 C ATOM 0 H LEU B 11 -0.382 2.922 -12.706 1.00 0.00 H new ATOM 0 HA LEU B 11 0.817 1.416 -10.582 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.325 3.840 -10.492 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.393 3.498 -10.560 1.00 0.00 H new ATOM 0 HG LEU B 11 0.132 2.035 -8.473 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.126 4.001 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.186 4.269 -8.316 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.418 5.037 -8.253 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.838 2.585 -7.057 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.502 3.563 -8.387 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.305 1.806 -8.587 1.00 0.00 H new ATOM 483 N VAL B 12 -2.344 0.723 -11.271 1.00 0.00 N ATOM 484 CA VAL B 12 -3.397 -0.306 -11.103 1.00 0.00 C ATOM 485 C VAL B 12 -2.929 -1.684 -11.604 1.00 0.00 C ATOM 486 O VAL B 12 -3.229 -2.693 -10.971 1.00 0.00 O ATOM 487 CB VAL B 12 -4.713 0.136 -11.790 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.778 -0.972 -11.855 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.319 1.330 -11.035 1.00 0.00 C ATOM 0 H VAL B 12 -2.608 1.474 -11.909 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.597 -0.408 -10.036 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.441 0.398 -12.813 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.671 -0.590 -12.349 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.387 -1.820 -12.418 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.031 -1.293 -10.845 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.244 1.637 -11.522 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.530 1.040 -10.006 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.613 2.161 -11.041 1.00 0.00 H new ATOM 499 N GLU B 13 -2.144 -1.726 -12.685 1.00 0.00 N ATOM 500 CA GLU B 13 -1.481 -2.924 -13.210 1.00 0.00 C ATOM 501 C GLU B 13 -0.480 -3.496 -12.194 1.00 0.00 C ATOM 502 O GLU B 13 -0.553 -4.675 -11.859 1.00 0.00 O ATOM 503 CB GLU B 13 -0.787 -2.539 -14.525 1.00 0.00 C ATOM 504 CG GLU B 13 -0.020 -3.665 -15.223 1.00 0.00 C ATOM 505 CD GLU B 13 0.518 -3.196 -16.588 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.138 -2.106 -16.670 1.00 0.00 O ATOM 507 OE2 GLU B 13 0.322 -3.912 -17.598 1.00 0.00 O ATOM 0 H GLU B 13 -1.945 -0.894 -13.240 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.215 -3.708 -13.394 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.540 -2.156 -15.214 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.094 -1.722 -14.324 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.808 -3.992 -14.594 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.674 -4.526 -15.361 1.00 0.00 H new ATOM 514 N ALA B 14 0.421 -2.667 -11.659 1.00 0.00 N ATOM 515 CA ALA B 14 1.389 -3.088 -10.643 1.00 0.00 C ATOM 516 C ALA B 14 0.694 -3.593 -9.366 1.00 0.00 C ATOM 517 O ALA B 14 1.016 -4.676 -8.870 1.00 0.00 O ATOM 518 CB ALA B 14 2.335 -1.918 -10.351 1.00 0.00 C ATOM 0 H ALA B 14 0.500 -1.684 -11.919 1.00 0.00 H new ATOM 0 HA ALA B 14 1.966 -3.931 -11.024 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.062 -2.217 -9.596 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.857 -1.635 -11.265 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.760 -1.068 -9.984 1.00 0.00 H new ATOM 524 N LEU B 15 -0.303 -2.857 -8.870 1.00 0.00 N ATOM 525 CA LEU B 15 -1.119 -3.200 -7.708 1.00 0.00 C ATOM 526 C LEU B 15 -1.791 -4.570 -7.879 1.00 0.00 C ATOM 527 O LEU B 15 -1.642 -5.448 -7.027 1.00 0.00 O ATOM 528 CB LEU B 15 -2.112 -2.040 -7.523 1.00 0.00 C ATOM 529 CG LEU B 15 -3.061 -2.121 -6.315 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.306 -2.173 -4.985 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.959 -0.878 -6.316 1.00 0.00 C ATOM 0 H LEU B 15 -0.574 -1.967 -9.287 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.517 -3.311 -6.806 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.541 -1.115 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.718 -1.965 -8.426 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.642 -3.039 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.020 -2.229 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.661 -3.052 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.698 -1.275 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.639 -0.920 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.341 0.017 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.536 -0.847 -7.240 1.00 0.00 H new ATOM 543 N TYR B 16 -2.440 -4.804 -9.022 1.00 0.00 N ATOM 544 CA TYR B 16 -3.007 -6.106 -9.381 1.00 0.00 C ATOM 545 C TYR B 16 -1.955 -7.231 -9.419 1.00 0.00 C ATOM 546 O TYR B 16 -2.203 -8.320 -8.908 1.00 0.00 O ATOM 547 CB TYR B 16 -3.723 -5.990 -10.736 1.00 0.00 C ATOM 548 CG TYR B 16 -4.184 -7.320 -11.310 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.143 -8.092 -10.625 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.616 -7.806 -12.505 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.533 -9.346 -11.126 1.00 0.00 C ATOM 552 CE2 TYR B 16 -4.009 -9.057 -13.019 1.00 0.00 C ATOM 553 CZ TYR B 16 -4.969 -9.836 -12.329 1.00 0.00 C ATOM 554 OH TYR B 16 -5.345 -11.051 -12.812 1.00 0.00 O ATOM 0 H TYR B 16 -2.588 -4.087 -9.732 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.718 -6.382 -8.602 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.588 -5.336 -10.623 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.052 -5.511 -11.450 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.580 -7.719 -9.711 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.877 -7.217 -13.028 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.264 -9.936 -10.593 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.578 -9.422 -13.940 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.864 -11.235 -13.646 1.00 0.00 H new ATOM 564 N LEU B 17 -0.769 -6.974 -9.982 1.00 0.00 N ATOM 565 CA LEU B 17 0.302 -7.975 -10.122 1.00 0.00 C ATOM 566 C LEU B 17 1.022 -8.280 -8.800 1.00 0.00 C ATOM 567 O LEU B 17 1.439 -9.418 -8.588 1.00 0.00 O ATOM 568 CB LEU B 17 1.290 -7.517 -11.214 1.00 0.00 C ATOM 569 CG LEU B 17 0.731 -7.581 -12.653 1.00 0.00 C ATOM 570 CD1 LEU B 17 1.706 -6.884 -13.612 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.490 -9.023 -13.121 1.00 0.00 C ATOM 0 H LEU B 17 -0.521 -6.059 -10.357 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.160 -8.916 -10.421 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.596 -6.493 -11.002 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.186 -8.136 -11.158 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.233 -7.072 -12.655 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.312 -6.929 -14.627 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.826 -5.842 -13.315 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.673 -7.385 -13.576 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.097 -9.015 -14.138 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.430 -9.574 -13.100 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.229 -9.505 -12.458 1.00 0.00 H new ATOM 583 N VAL B 18 1.128 -7.302 -7.899 1.00 0.00 N ATOM 584 CA VAL B 18 1.636 -7.487 -6.525 1.00 0.00 C ATOM 585 C VAL B 18 0.669 -8.347 -5.708 1.00 0.00 C ATOM 586 O VAL B 18 1.097 -9.271 -5.015 1.00 0.00 O ATOM 587 CB VAL B 18 1.872 -6.125 -5.823 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.093 -6.232 -4.301 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.111 -5.436 -6.416 1.00 0.00 C ATOM 0 H VAL B 18 0.860 -6.339 -8.101 1.00 0.00 H new ATOM 0 HA VAL B 18 2.595 -8.001 -6.590 1.00 0.00 H new ATOM 0 HB VAL B 18 0.960 -5.553 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.251 -5.237 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL B 18 1.217 -6.684 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.968 -6.851 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.269 -4.480 -5.917 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.985 -6.071 -6.270 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.959 -5.268 -7.482 1.00 0.00 H new ATOM 599 N CYS B 19 -0.630 -8.038 -5.775 1.00 0.00 N ATOM 600 CA CYS B 19 -1.623 -8.610 -4.856 1.00 0.00 C ATOM 601 C CYS B 19 -2.319 -9.875 -5.375 1.00 0.00 C ATOM 602 O CYS B 19 -2.761 -10.699 -4.572 1.00 0.00 O ATOM 603 CB CYS B 19 -2.609 -7.511 -4.480 1.00 0.00 C ATOM 604 SG CYS B 19 -1.760 -6.164 -3.615 1.00 0.00 S ATOM 0 H CYS B 19 -1.021 -7.391 -6.460 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.098 -8.964 -3.969 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.093 -7.126 -5.378 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.394 -7.921 -3.845 1.00 0.00 H new ATOM 609 N GLY B 20 -2.386 -10.059 -6.697 1.00 0.00 N ATOM 610 CA GLY B 20 -2.969 -11.239 -7.342 1.00 0.00 C ATOM 611 C GLY B 20 -4.473 -11.373 -7.081 1.00 0.00 C ATOM 612 O GLY B 20 -5.220 -10.391 -7.124 1.00 0.00 O ATOM 0 H GLY B 20 -2.028 -9.375 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.794 -11.184 -8.417 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.461 -12.133 -6.982 1.00 0.00 H new ATOM 616 N GLU B 21 -4.910 -12.599 -6.781 1.00 0.00 N ATOM 617 CA GLU B 21 -6.315 -12.959 -6.542 1.00 0.00 C ATOM 618 C GLU B 21 -6.957 -12.271 -5.318 1.00 0.00 C ATOM 619 O GLU B 21 -8.185 -12.234 -5.214 1.00 0.00 O ATOM 620 CB GLU B 21 -6.429 -14.487 -6.414 1.00 0.00 C ATOM 621 CG GLU B 21 -5.699 -15.075 -5.197 1.00 0.00 C ATOM 622 CD GLU B 21 -5.813 -16.607 -5.186 1.00 0.00 C ATOM 623 OE1 GLU B 21 -6.802 -17.144 -4.635 1.00 0.00 O ATOM 624 OE2 GLU B 21 -4.910 -17.282 -5.734 1.00 0.00 O ATOM 0 H GLU B 21 -4.278 -13.395 -6.694 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.876 -12.594 -7.402 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -7.483 -14.757 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -6.031 -14.946 -7.319 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.649 -14.783 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.123 -14.667 -4.280 1.00 0.00 H new ATOM 631 N ARG B 22 -6.147 -11.723 -4.400 1.00 0.00 N ATOM 632 CA ARG B 22 -6.609 -11.072 -3.161 1.00 0.00 C ATOM 633 C ARG B 22 -7.498 -9.840 -3.415 1.00 0.00 C ATOM 634 O ARG B 22 -8.394 -9.559 -2.615 1.00 0.00 O ATOM 635 CB ARG B 22 -5.398 -10.672 -2.303 1.00 0.00 C ATOM 636 CG ARG B 22 -4.652 -11.898 -1.744 1.00 0.00 C ATOM 637 CD ARG B 22 -3.457 -11.499 -0.871 1.00 0.00 C ATOM 638 NE ARG B 22 -2.301 -11.061 -1.676 1.00 0.00 N ATOM 639 CZ ARG B 22 -1.224 -10.440 -1.207 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.144 -9.975 0.017 1.00 0.00 N ATOM 641 NH2 ARG B 22 -0.161 -10.263 -1.960 1.00 0.00 N ATOM 0 H ARG B 22 -5.132 -11.719 -4.498 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.226 -11.800 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.712 -10.073 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.731 -10.044 -1.477 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.342 -12.505 -1.158 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.305 -12.518 -2.570 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.754 -10.695 -0.197 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -3.165 -12.345 -0.249 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.331 -11.251 -2.678 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.932 -10.083 0.656 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.294 -9.505 0.330 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.154 -10.605 -2.921 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.657 -9.784 -1.583 1.00 0.00 H new ATOM 655 N GLY B 23 -7.271 -9.109 -4.514 1.00 0.00 N ATOM 656 CA GLY B 23 -7.994 -7.876 -4.855 1.00 0.00 C ATOM 657 C GLY B 23 -7.494 -6.643 -4.093 1.00 0.00 C ATOM 658 O GLY B 23 -6.739 -6.747 -3.118 1.00 0.00 O ATOM 0 H GLY B 23 -6.565 -9.363 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.901 -7.694 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.055 -8.017 -4.647 1.00 0.00 H new ATOM 662 N PHE B 24 -7.920 -5.463 -4.554 1.00 0.00 N ATOM 663 CA PHE B 24 -7.377 -4.160 -4.141 1.00 0.00 C ATOM 664 C PHE B 24 -8.388 -3.003 -4.257 1.00 0.00 C ATOM 665 O PHE B 24 -9.403 -3.108 -4.953 1.00 0.00 O ATOM 666 CB PHE B 24 -6.122 -3.875 -4.987 1.00 0.00 C ATOM 667 CG PHE B 24 -6.407 -3.748 -6.474 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.820 -2.518 -7.020 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.293 -4.875 -7.307 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.126 -2.418 -8.388 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.614 -4.776 -8.671 1.00 0.00 C ATOM 672 CZ PHE B 24 -7.028 -3.550 -9.216 1.00 0.00 C ATOM 0 H PHE B 24 -8.670 -5.383 -5.241 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.131 -4.219 -3.081 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.658 -2.954 -4.635 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.399 -4.676 -4.831 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.902 -1.648 -6.385 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.959 -5.817 -6.898 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.437 -1.471 -8.804 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.542 -5.648 -9.304 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.270 -3.477 -10.266 1.00 0.00 H new ATOM 682 N PHE B 25 -8.056 -1.872 -3.621 1.00 0.00 N ATOM 683 CA PHE B 25 -8.706 -0.573 -3.815 1.00 0.00 C ATOM 684 C PHE B 25 -7.722 0.570 -3.496 1.00 0.00 C ATOM 685 O PHE B 25 -7.420 0.850 -2.335 1.00 0.00 O ATOM 686 CB PHE B 25 -9.986 -0.488 -2.966 1.00 0.00 C ATOM 687 CG PHE B 25 -10.745 0.813 -3.150 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.517 1.020 -4.308 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.664 1.827 -2.175 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.205 2.235 -4.489 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.353 3.039 -2.357 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.121 3.243 -3.513 1.00 0.00 C ATOM 0 H PHE B 25 -7.302 -1.837 -2.935 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.999 -0.468 -4.860 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.640 -1.321 -3.223 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.724 -0.602 -1.914 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.582 0.246 -5.059 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.071 1.673 -1.286 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.798 2.393 -5.378 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.291 3.813 -1.607 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.648 4.175 -3.653 1.00 0.00 H new ATOM 702 N TYR B 26 -7.213 1.224 -4.541 1.00 0.00 N ATOM 703 CA TYR B 26 -6.304 2.372 -4.462 1.00 0.00 C ATOM 704 C TYR B 26 -7.008 3.674 -4.030 1.00 0.00 C ATOM 705 O TYR B 26 -8.211 3.843 -4.256 1.00 0.00 O ATOM 706 CB TYR B 26 -5.638 2.557 -5.837 1.00 0.00 C ATOM 707 CG TYR B 26 -6.595 2.765 -7.001 1.00 0.00 C ATOM 708 CD1 TYR B 26 -7.021 4.064 -7.339 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.069 1.659 -7.736 1.00 0.00 C ATOM 710 CE1 TYR B 26 -7.918 4.261 -8.407 1.00 0.00 C ATOM 711 CE2 TYR B 26 -7.973 1.849 -8.798 1.00 0.00 C ATOM 712 CZ TYR B 26 -8.396 3.152 -9.142 1.00 0.00 C ATOM 713 OH TYR B 26 -9.261 3.335 -10.177 1.00 0.00 O ATOM 0 H TYR B 26 -7.430 0.960 -5.502 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.561 2.162 -3.692 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.965 3.413 -5.784 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.024 1.681 -6.045 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.659 4.912 -6.777 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.737 0.663 -7.483 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -8.241 5.259 -8.664 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.343 0.998 -9.350 1.00 0.00 H new ATOM 0 HH TYR B 26 -9.487 2.467 -10.572 1.00 0.00 H new ATOM 723 N THR B 27 -6.240 4.635 -3.496 1.00 0.00 N ATOM 724 CA THR B 27 -6.695 6.025 -3.291 1.00 0.00 C ATOM 725 C THR B 27 -6.306 6.874 -4.511 1.00 0.00 C ATOM 726 O THR B 27 -5.103 6.965 -4.802 1.00 0.00 O ATOM 727 CB THR B 27 -6.144 6.620 -1.992 1.00 0.00 C ATOM 728 OG1 THR B 27 -6.471 5.749 -0.934 1.00 0.00 O ATOM 729 CG2 THR B 27 -6.790 7.970 -1.676 1.00 0.00 C ATOM 0 H THR B 27 -5.280 4.473 -3.191 1.00 0.00 H new ATOM 0 HA THR B 27 -7.780 6.025 -3.191 1.00 0.00 H new ATOM 0 HB THR B 27 -5.068 6.752 -2.108 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.125 6.112 -0.092 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.376 8.363 -0.748 1.00 0.00 H new ATOM 0 HG22 THR B 27 -6.589 8.669 -2.488 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.867 7.841 -1.567 1.00 0.00 H new ATOM 737 N PRO B 28 -7.275 7.491 -5.222 1.00 0.00 N ATOM 738 CA PRO B 28 -7.030 8.284 -6.425 1.00 0.00 C ATOM 739 C PRO B 28 -6.412 9.650 -6.082 1.00 0.00 C ATOM 740 O PRO B 28 -6.030 9.903 -4.938 1.00 0.00 O ATOM 741 CB PRO B 28 -8.403 8.401 -7.105 1.00 0.00 C ATOM 742 CG PRO B 28 -9.364 8.434 -5.920 1.00 0.00 C ATOM 743 CD PRO B 28 -8.710 7.456 -4.948 1.00 0.00 C ATOM 0 HA PRO B 28 -6.303 7.819 -7.091 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.478 9.303 -7.712 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -8.602 7.556 -7.764 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -9.452 9.434 -5.495 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.369 8.118 -6.201 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.914 7.741 -3.916 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -9.106 6.450 -5.086 1.00 0.00 H new ATOM 751 N LYS B 29 -6.308 10.547 -7.069 1.00 0.00 N ATOM 752 CA LYS B 29 -5.826 11.914 -6.836 1.00 0.00 C ATOM 753 C LYS B 29 -6.728 12.713 -5.865 1.00 0.00 C ATOM 754 O LYS B 29 -7.961 12.660 -5.964 1.00 0.00 O ATOM 755 CB LYS B 29 -5.571 12.633 -8.176 1.00 0.00 C ATOM 756 CG LYS B 29 -6.826 12.855 -9.040 1.00 0.00 C ATOM 757 CD LYS B 29 -6.535 13.662 -10.316 1.00 0.00 C ATOM 758 CE LYS B 29 -5.596 12.923 -11.281 1.00 0.00 C ATOM 759 NZ LYS B 29 -5.371 13.708 -12.526 1.00 0.00 N ATOM 0 H LYS B 29 -6.552 10.350 -8.040 1.00 0.00 H new ATOM 0 HA LYS B 29 -4.867 11.848 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -5.112 13.600 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -4.849 12.053 -8.751 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -7.248 11.888 -9.315 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -7.580 13.376 -8.450 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -7.474 13.881 -10.825 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -6.090 14.619 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -4.641 12.735 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -6.022 11.952 -11.533 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -4.733 13.183 -13.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -6.280 13.866 -13.006 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -4.943 14.625 -12.286 1.00 0.00 H new ATOM 773 N THR B 30 -6.118 13.459 -4.931 1.00 0.00 N ATOM 774 CA THR B 30 -6.816 14.236 -3.876 1.00 0.00 C ATOM 775 C THR B 30 -6.217 15.631 -3.667 1.00 0.00 C ATOM 776 O THR B 30 -6.900 16.620 -4.019 1.00 0.00 O ATOM 777 CB THR B 30 -6.868 13.483 -2.541 1.00 0.00 C ATOM 778 OG1 THR B 30 -5.575 13.054 -2.160 1.00 0.00 O ATOM 779 CG2 THR B 30 -7.772 12.251 -2.584 1.00 0.00 C ATOM 780 OXT THR B 30 -5.073 15.751 -3.168 1.00 0.00 O ATOM 0 H THR B 30 -5.103 13.546 -4.881 1.00 0.00 H new ATOM 0 HA THR B 30 -7.835 14.364 -4.241 1.00 0.00 H new ATOM 0 HB THR B 30 -7.277 14.191 -1.820 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.924 13.759 -2.360 1.00 0.00 H new ATOM 0 HG21 THR B 30 -7.767 11.762 -1.610 1.00 0.00 H new ATOM 0 HG22 THR B 30 -8.789 12.554 -2.832 1.00 0.00 H new ATOM 0 HG23 THR B 30 -7.406 11.557 -3.341 1.00 0.00 H new TER 788 THR B 30