USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 hydrogens (7 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 NoAdj-H: B 12 ABA HN2 : B 12 ABA N : B 11 LEU C :(H bumps) USER MOD NoAdj-H: B 12 ABA H : B 12 ABA N : B 11 LEU C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= 1 X(o=2.4,f=2.1) USER MOD Set 1.2: A 19 TYR OH : rot 69:sc= 1.35 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.0998 USER MOD Set 2.2: A 15 GLN : amide:sc= 0.31 K(o=0.41,f=-4.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.371 K(o=-0.37,f=-2.1!) USER MOD Single : A 21 ASN : amide:sc= -0.0439 X(o=-0.044,f=-0.16) USER MOD Single : B 1 PHE N :NH3+ -154:sc= 1.31 (180deg=0.273) USER MOD Single : B 3 ASN : amide:sc= -4.93! C(o=-4.9!,f=-6.4!) USER MOD Single : B 4 GLN : amide:sc= -0.068 X(o=-0.068,f=-0.36) USER MOD Single : B 5 HIS : no HD1:sc= -0.62! C(o=-0.62!,f=-5!) USER MOD Single : B 9 SER OG : rot 180:sc= 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= 0.0142 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.501 6.816 1.293 1.00 0.00 N ATOM 2 CA GLY A 1 -7.101 5.933 0.109 1.00 0.00 C ATOM 3 C GLY A 1 -5.656 5.756 -0.217 1.00 0.00 C ATOM 4 O GLY A 1 -4.792 6.263 0.468 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.537 6.831 1.380 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.086 6.434 2.167 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.152 7.783 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.521 4.942 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.590 6.335 -0.779 1.00 0.00 H new ATOM 10 N ILE A 2 -5.354 5.041 -1.267 1.00 0.00 N ATOM 11 CA ILE A 2 -3.918 4.840 -1.637 1.00 0.00 C ATOM 12 C ILE A 2 -3.545 5.828 -2.744 1.00 0.00 C ATOM 13 O ILE A 2 -2.422 6.280 -2.841 1.00 0.00 O ATOM 14 CB ILE A 2 -3.681 3.392 -2.106 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.210 3.020 -1.893 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.024 3.243 -3.595 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.783 3.354 -0.462 1.00 0.00 C ATOM 0 H ILE A 2 -6.031 4.590 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.290 5.019 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.324 2.730 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.065 1.957 -2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.584 3.561 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.850 2.213 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.072 3.498 -3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.394 3.911 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.736 3.085 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.910 4.422 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.398 2.793 0.242 1.00 0.00 H new ATOM 29 N VAL A 3 -4.493 6.183 -3.567 1.00 0.00 N ATOM 30 CA VAL A 3 -4.215 7.163 -4.653 1.00 0.00 C ATOM 31 C VAL A 3 -3.807 8.493 -4.024 1.00 0.00 C ATOM 32 O VAL A 3 -3.335 9.392 -4.690 1.00 0.00 O ATOM 33 CB VAL A 3 -5.472 7.368 -5.495 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.078 7.862 -6.887 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.217 6.042 -5.620 1.00 0.00 C ATOM 0 H VAL A 3 -5.451 5.835 -3.533 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.413 6.788 -5.290 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.116 8.106 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.975 8.008 -7.489 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.542 8.807 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.436 7.123 -7.367 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.115 6.185 -6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.572 5.306 -6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.496 5.687 -4.628 1.00 0.00 H new ATOM 45 N GLU A 4 -3.991 8.626 -2.741 1.00 0.00 N ATOM 46 CA GLU A 4 -3.615 9.891 -2.062 1.00 0.00 C ATOM 47 C GLU A 4 -2.296 9.678 -1.310 1.00 0.00 C ATOM 48 O GLU A 4 -1.696 10.607 -0.808 1.00 0.00 O ATOM 49 CB GLU A 4 -4.722 10.284 -1.076 1.00 0.00 C ATOM 50 CG GLU A 4 -4.353 11.593 -0.376 1.00 0.00 C ATOM 51 CD GLU A 4 -4.456 11.407 1.139 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.110 10.336 1.609 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.880 12.338 1.803 1.00 0.00 O ATOM 0 H GLU A 4 -4.387 7.909 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.490 10.688 -2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.668 10.398 -1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.862 9.494 -0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.341 11.891 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.019 12.392 -0.701 1.00 0.00 H new ATOM 60 N GLN A 5 -1.835 8.454 -1.229 1.00 0.00 N ATOM 61 CA GLN A 5 -0.557 8.180 -0.510 1.00 0.00 C ATOM 62 C GLN A 5 0.582 8.006 -1.527 1.00 0.00 C ATOM 63 O GLN A 5 1.085 8.971 -2.064 1.00 0.00 O ATOM 64 CB GLN A 5 -0.704 6.908 0.328 1.00 0.00 C ATOM 65 CG GLN A 5 -1.270 7.261 1.704 1.00 0.00 C ATOM 66 CD GLN A 5 -1.657 5.976 2.439 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.721 5.432 2.217 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.832 5.462 3.310 1.00 0.00 N ATOM 0 H GLN A 5 -2.290 7.634 -1.630 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.324 9.018 0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.363 6.202 -0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.264 6.418 0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.531 7.815 2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.141 7.908 1.596 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.061 5.918 3.497 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.080 4.605 3.804 1.00 0.00 H new ATOM 77 N CYS A 6 0.997 6.788 -1.795 1.00 0.00 N ATOM 78 CA CYS A 6 2.110 6.578 -2.778 1.00 0.00 C ATOM 79 C CYS A 6 1.903 7.499 -3.974 1.00 0.00 C ATOM 80 O CYS A 6 2.840 7.915 -4.621 1.00 0.00 O ATOM 81 CB CYS A 6 2.121 5.140 -3.299 1.00 0.00 C ATOM 82 SG CYS A 6 3.745 4.396 -3.035 1.00 0.00 S ATOM 0 H CYS A 6 0.617 5.938 -1.379 1.00 0.00 H new ATOM 0 HA CYS A 6 3.051 6.789 -2.270 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.357 4.554 -2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.875 5.128 -4.361 1.00 0.00 H new ATOM 87 N CYS A 7 0.679 7.808 -4.283 1.00 0.00 N ATOM 88 CA CYS A 7 0.416 8.692 -5.445 1.00 0.00 C ATOM 89 C CYS A 7 0.906 10.102 -5.116 1.00 0.00 C ATOM 90 O CYS A 7 1.732 10.663 -5.808 1.00 0.00 O ATOM 91 CB CYS A 7 -1.086 8.717 -5.733 1.00 0.00 C ATOM 92 SG CYS A 7 -1.452 7.773 -7.235 1.00 0.00 S ATOM 0 H CYS A 7 -0.149 7.487 -3.782 1.00 0.00 H new ATOM 0 HA CYS A 7 0.941 8.320 -6.324 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.632 8.297 -4.889 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.424 9.747 -5.851 1.00 0.00 H new ATOM 97 N THR A 8 0.413 10.676 -4.051 1.00 0.00 N ATOM 98 CA THR A 8 0.865 12.041 -3.665 1.00 0.00 C ATOM 99 C THR A 8 2.249 11.927 -3.019 1.00 0.00 C ATOM 100 O THR A 8 3.163 12.656 -3.349 1.00 0.00 O ATOM 101 CB THR A 8 -0.134 12.648 -2.675 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.284 13.085 -3.384 1.00 0.00 O ATOM 103 CG2 THR A 8 0.509 13.835 -1.957 1.00 0.00 C ATOM 0 H THR A 8 -0.283 10.258 -3.433 1.00 0.00 H new ATOM 0 HA THR A 8 0.922 12.686 -4.542 1.00 0.00 H new ATOM 0 HB THR A 8 -0.421 11.898 -1.938 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.928 13.473 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.204 14.265 -1.254 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.393 13.498 -1.417 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.797 14.590 -2.688 1.00 0.00 H new ATOM 111 N SER A 9 2.411 10.998 -2.115 1.00 0.00 N ATOM 112 CA SER A 9 3.735 10.806 -1.457 1.00 0.00 C ATOM 113 C SER A 9 4.218 9.383 -1.739 1.00 0.00 C ATOM 114 O SER A 9 3.797 8.754 -2.687 1.00 0.00 O ATOM 115 CB SER A 9 3.609 11.007 0.053 1.00 0.00 C ATOM 116 OG SER A 9 4.492 12.042 0.462 1.00 0.00 O ATOM 0 H SER A 9 1.678 10.361 -1.803 1.00 0.00 H new ATOM 0 HA SER A 9 4.445 11.533 -1.850 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.582 11.265 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.848 10.081 0.576 1.00 0.00 H new ATOM 0 HG SER A 9 4.413 12.176 1.430 1.00 0.00 H new ATOM 122 N ILE A 10 5.097 8.863 -0.930 1.00 0.00 N ATOM 123 CA ILE A 10 5.590 7.479 -1.172 1.00 0.00 C ATOM 124 C ILE A 10 4.878 6.514 -0.204 1.00 0.00 C ATOM 125 O ILE A 10 4.325 6.926 0.796 1.00 0.00 O ATOM 126 CB ILE A 10 7.135 7.438 -1.006 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.548 6.616 0.219 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.693 8.856 -0.853 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.595 5.145 -0.173 1.00 0.00 C ATOM 0 H ILE A 10 5.494 9.333 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 10 5.362 7.165 -2.190 1.00 0.00 H new ATOM 0 HB ILE A 10 7.542 6.968 -1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.523 6.942 0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.839 6.768 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.776 8.810 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.447 9.441 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.254 9.327 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.888 4.548 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.610 4.828 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.321 5.005 -0.974 1.00 0.00 H new ATOM 141 N CYS A 11 4.897 5.234 -0.483 1.00 0.00 N ATOM 142 CA CYS A 11 4.232 4.259 0.440 1.00 0.00 C ATOM 143 C CYS A 11 5.223 3.149 0.782 1.00 0.00 C ATOM 144 O CYS A 11 5.565 2.332 -0.050 1.00 0.00 O ATOM 145 CB CYS A 11 2.984 3.639 -0.210 1.00 0.00 C ATOM 146 SG CYS A 11 3.424 2.852 -1.777 1.00 0.00 S ATOM 0 H CYS A 11 5.341 4.823 -1.304 1.00 0.00 H new ATOM 0 HA CYS A 11 3.921 4.789 1.340 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.541 2.905 0.463 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.232 4.410 -0.380 1.00 0.00 H new ATOM 151 N SER A 12 5.698 3.120 1.994 1.00 0.00 N ATOM 152 CA SER A 12 6.677 2.068 2.380 1.00 0.00 C ATOM 153 C SER A 12 5.942 0.774 2.727 1.00 0.00 C ATOM 154 O SER A 12 4.902 0.795 3.342 1.00 0.00 O ATOM 155 CB SER A 12 7.480 2.527 3.599 1.00 0.00 C ATOM 156 OG SER A 12 6.860 3.669 4.174 1.00 0.00 O ATOM 0 H SER A 12 5.451 3.778 2.733 1.00 0.00 H new ATOM 0 HA SER A 12 7.351 1.892 1.541 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.538 1.723 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.503 2.765 3.305 1.00 0.00 H new ATOM 0 HG SER A 12 7.374 3.961 4.956 1.00 0.00 H new ATOM 162 N LEU A 13 6.494 -0.340 2.315 1.00 0.00 N ATOM 163 CA LEU A 13 5.875 -1.683 2.586 1.00 0.00 C ATOM 164 C LEU A 13 4.955 -1.621 3.810 1.00 0.00 C ATOM 165 O LEU A 13 3.795 -1.955 3.730 1.00 0.00 O ATOM 166 CB LEU A 13 6.944 -2.764 2.876 1.00 0.00 C ATOM 167 CG LEU A 13 8.342 -2.378 2.376 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.309 -2.128 0.872 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.841 -1.126 3.101 1.00 0.00 C ATOM 0 H LEU A 13 7.368 -0.380 1.790 1.00 0.00 H new ATOM 0 HA LEU A 13 5.316 -1.945 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.986 -2.946 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.642 -3.700 2.406 1.00 0.00 H new ATOM 0 HG LEU A 13 9.026 -3.201 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.306 -1.855 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.983 -3.033 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.614 -1.317 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.834 -0.865 2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.156 -0.299 2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.889 -1.321 4.172 1.00 0.00 H new ATOM 181 N TYR A 14 5.457 -1.215 4.947 1.00 0.00 N ATOM 182 CA TYR A 14 4.583 -1.165 6.158 1.00 0.00 C ATOM 183 C TYR A 14 3.265 -0.484 5.822 1.00 0.00 C ATOM 184 O TYR A 14 2.205 -0.938 6.201 1.00 0.00 O ATOM 185 CB TYR A 14 5.276 -0.401 7.292 1.00 0.00 C ATOM 186 CG TYR A 14 4.458 -0.544 8.556 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.383 -1.784 9.204 1.00 0.00 C ATOM 188 CD2 TYR A 14 3.767 0.559 9.076 1.00 0.00 C ATOM 189 CE1 TYR A 14 3.619 -1.921 10.371 1.00 0.00 C ATOM 190 CE2 TYR A 14 3.001 0.421 10.244 1.00 0.00 C ATOM 191 CZ TYR A 14 2.928 -0.820 10.892 1.00 0.00 C ATOM 192 OH TYR A 14 2.173 -0.959 12.040 1.00 0.00 O ATOM 0 H TYR A 14 6.423 -0.919 5.090 1.00 0.00 H new ATOM 0 HA TYR A 14 4.392 -2.187 6.485 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.282 -0.791 7.449 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.380 0.651 7.028 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.914 -2.635 8.804 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.824 1.515 8.578 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.563 -2.877 10.869 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.468 1.271 10.644 1.00 0.00 H new ATOM 0 HH TYR A 14 1.760 -0.099 12.266 1.00 0.00 H new ATOM 202 N GLN A 15 3.318 0.597 5.116 1.00 0.00 N ATOM 203 CA GLN A 15 2.062 1.302 4.761 1.00 0.00 C ATOM 204 C GLN A 15 1.330 0.527 3.654 1.00 0.00 C ATOM 205 O GLN A 15 0.116 0.462 3.644 1.00 0.00 O ATOM 206 CB GLN A 15 2.382 2.732 4.317 1.00 0.00 C ATOM 207 CG GLN A 15 2.881 3.530 5.523 1.00 0.00 C ATOM 208 CD GLN A 15 3.586 4.799 5.042 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.191 4.811 3.989 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.532 5.877 5.777 1.00 0.00 N ATOM 0 H GLN A 15 4.175 1.027 4.767 1.00 0.00 H new ATOM 0 HA GLN A 15 1.408 1.353 5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.139 2.722 3.533 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.494 3.203 3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.044 3.790 6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.566 2.923 6.115 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.024 5.866 6.661 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.998 6.730 5.467 1.00 0.00 H new ATOM 219 N LEU A 16 2.034 -0.104 2.743 1.00 0.00 N ATOM 220 CA LEU A 16 1.310 -0.880 1.705 1.00 0.00 C ATOM 221 C LEU A 16 1.031 -2.280 2.232 1.00 0.00 C ATOM 222 O LEU A 16 0.334 -3.062 1.617 1.00 0.00 O ATOM 223 CB LEU A 16 2.101 -0.948 0.409 1.00 0.00 C ATOM 224 CG LEU A 16 1.141 -0.885 -0.776 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.843 0.557 -1.168 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.788 -1.595 -1.951 1.00 0.00 C ATOM 0 H LEU A 16 3.052 -0.112 2.679 1.00 0.00 H new ATOM 0 HA LEU A 16 0.369 -0.376 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.811 -0.122 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.681 -1.870 0.372 1.00 0.00 H new ATOM 0 HG LEU A 16 0.202 -1.363 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.157 0.569 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.388 1.077 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.771 1.058 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.118 -1.562 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.726 -1.100 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.985 -2.633 -1.685 1.00 0.00 H new ATOM 238 N GLU A 17 1.535 -2.587 3.395 1.00 0.00 N ATOM 239 CA GLU A 17 1.259 -3.912 3.994 1.00 0.00 C ATOM 240 C GLU A 17 -0.123 -3.845 4.631 1.00 0.00 C ATOM 241 O GLU A 17 -0.586 -4.785 5.246 1.00 0.00 O ATOM 242 CB GLU A 17 2.314 -4.231 5.056 1.00 0.00 C ATOM 243 CG GLU A 17 2.701 -5.707 4.959 1.00 0.00 C ATOM 244 CD GLU A 17 2.970 -6.254 6.361 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.220 -5.455 7.249 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.921 -7.461 6.524 1.00 0.00 O ATOM 0 H GLU A 17 2.127 -1.972 3.954 1.00 0.00 H new ATOM 0 HA GLU A 17 1.293 -4.695 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.193 -3.603 4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.924 -4.010 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.901 -6.274 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.588 -5.822 4.335 1.00 0.00 H new ATOM 253 N ASN A 18 -0.794 -2.733 4.469 1.00 0.00 N ATOM 254 CA ASN A 18 -2.159 -2.596 5.047 1.00 0.00 C ATOM 255 C ASN A 18 -3.175 -2.605 3.905 1.00 0.00 C ATOM 256 O ASN A 18 -4.321 -2.238 4.072 1.00 0.00 O ATOM 257 CB ASN A 18 -2.260 -1.275 5.816 1.00 0.00 C ATOM 258 CG ASN A 18 -2.475 -1.563 7.303 1.00 0.00 C ATOM 259 OD1 ASN A 18 -3.019 -2.588 7.664 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.067 -0.694 8.188 1.00 0.00 N ATOM 0 H ASN A 18 -0.453 -1.916 3.961 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.360 -3.421 5.730 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.351 -0.690 5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.085 -0.678 5.428 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.205 -0.876 9.182 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.610 0.166 7.885 1.00 0.00 H new ATOM 267 N TYR A 19 -2.756 -3.019 2.739 1.00 0.00 N ATOM 268 CA TYR A 19 -3.682 -3.052 1.578 1.00 0.00 C ATOM 269 C TYR A 19 -3.761 -4.473 1.025 1.00 0.00 C ATOM 270 O TYR A 19 -3.992 -4.683 -0.149 1.00 0.00 O ATOM 271 CB TYR A 19 -3.173 -2.087 0.510 1.00 0.00 C ATOM 272 CG TYR A 19 -3.380 -0.680 1.010 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.538 -0.157 2.002 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.423 0.098 0.495 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.740 1.147 2.475 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.626 1.402 0.969 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.784 1.927 1.958 1.00 0.00 C ATOM 278 OH TYR A 19 -3.983 3.210 2.425 1.00 0.00 O ATOM 0 H TYR A 19 -1.807 -3.337 2.543 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.682 -2.747 1.887 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.117 -2.267 0.307 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.708 -2.240 -0.427 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.735 -0.758 2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.072 -0.306 -0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.091 1.551 3.238 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.432 2.002 0.572 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.245 3.783 2.131 1.00 0.00 H new ATOM 288 N CYS A 20 -3.578 -5.455 1.869 1.00 0.00 N ATOM 289 CA CYS A 20 -3.652 -6.862 1.398 1.00 0.00 C ATOM 290 C CYS A 20 -4.961 -7.487 1.883 1.00 0.00 C ATOM 291 O CYS A 20 -5.475 -7.144 2.929 1.00 0.00 O ATOM 292 CB CYS A 20 -2.469 -7.659 1.951 1.00 0.00 C ATOM 293 SG CYS A 20 -0.921 -6.822 1.528 1.00 0.00 S ATOM 0 H CYS A 20 -3.381 -5.339 2.863 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.616 -6.881 0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.557 -7.756 3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.473 -8.668 1.539 1.00 0.00 H new ATOM 298 N ASN A 21 -5.508 -8.401 1.130 1.00 0.00 N ATOM 299 CA ASN A 21 -6.785 -9.046 1.548 1.00 0.00 C ATOM 300 C ASN A 21 -6.544 -9.893 2.799 1.00 0.00 C ATOM 301 O ASN A 21 -6.234 -11.063 2.647 1.00 0.00 O ATOM 302 CB ASN A 21 -7.305 -9.939 0.418 1.00 0.00 C ATOM 303 CG ASN A 21 -8.622 -9.372 -0.114 1.00 0.00 C ATOM 304 OD1 ASN A 21 -9.531 -9.103 0.646 1.00 0.00 O ATOM 305 ND2 ASN A 21 -8.765 -9.180 -1.397 1.00 0.00 N ATOM 306 OXT ASN A 21 -6.676 -9.357 3.886 1.00 0.00 O ATOM 0 H ASN A 21 -5.126 -8.729 0.243 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.524 -8.275 1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.570 -9.994 -0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.455 -10.955 0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.640 -8.804 -1.762 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.002 -9.406 -2.035 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 14.195 1.755 2.524 1.00 0.00 N ATOM 315 CA PHE B 1 14.727 0.864 1.449 1.00 0.00 C ATOM 316 C PHE B 1 13.873 1.013 0.184 1.00 0.00 C ATOM 317 O PHE B 1 14.355 0.845 -0.919 1.00 0.00 O ATOM 318 CB PHE B 1 14.701 -0.605 1.902 1.00 0.00 C ATOM 319 CG PHE B 1 14.439 -0.702 3.389 1.00 0.00 C ATOM 320 CD1 PHE B 1 13.129 -0.598 3.876 1.00 0.00 C ATOM 321 CD2 PHE B 1 15.504 -0.903 4.278 1.00 0.00 C ATOM 322 CE1 PHE B 1 12.884 -0.695 5.253 1.00 0.00 C ATOM 323 CE2 PHE B 1 15.258 -0.999 5.654 1.00 0.00 C ATOM 324 CZ PHE B 1 13.948 -0.895 6.141 1.00 0.00 C ATOM 0 H1 PHE B 1 14.961 2.000 3.183 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.814 2.624 2.098 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.439 1.262 3.041 1.00 0.00 H new ATOM 0 HA PHE B 1 15.757 1.154 1.239 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.928 -1.146 1.356 1.00 0.00 H new ATOM 0 HB3 PHE B 1 15.652 -1.081 1.664 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.309 -0.443 3.191 1.00 0.00 H new ATOM 0 HD2 PHE B 1 16.513 -0.984 3.903 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.875 -0.615 5.629 1.00 0.00 H new ATOM 0 HE2 PHE B 1 16.078 -1.153 6.340 1.00 0.00 H new ATOM 0 HZ PHE B 1 13.759 -0.969 7.202 1.00 0.00 H new ATOM 336 N VAL B 2 12.611 1.319 0.328 1.00 0.00 N ATOM 337 CA VAL B 2 11.741 1.466 -0.872 1.00 0.00 C ATOM 338 C VAL B 2 11.585 2.948 -1.225 1.00 0.00 C ATOM 339 O VAL B 2 11.879 3.366 -2.327 1.00 0.00 O ATOM 340 CB VAL B 2 10.378 0.853 -0.581 1.00 0.00 C ATOM 341 CG1 VAL B 2 9.562 0.772 -1.874 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.591 -0.554 -0.020 1.00 0.00 C ATOM 0 H VAL B 2 12.147 1.473 1.223 1.00 0.00 H new ATOM 0 HA VAL B 2 12.197 0.951 -1.718 1.00 0.00 H new ATOM 0 HB VAL B 2 9.838 1.467 0.139 1.00 0.00 H new ATOM 0 HG11 VAL B 2 8.587 0.333 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.428 1.773 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.089 0.152 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.625 -1.010 0.195 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.124 -1.161 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.177 -0.495 0.897 1.00 0.00 H new ATOM 352 N ASN B 3 11.131 3.745 -0.294 1.00 0.00 N ATOM 353 CA ASN B 3 10.965 5.206 -0.561 1.00 0.00 C ATOM 354 C ASN B 3 10.401 5.439 -1.970 1.00 0.00 C ATOM 355 O ASN B 3 10.611 6.484 -2.553 1.00 0.00 O ATOM 356 CB ASN B 3 12.328 5.898 -0.450 1.00 0.00 C ATOM 357 CG ASN B 3 13.294 5.306 -1.480 1.00 0.00 C ATOM 358 OD1 ASN B 3 13.895 4.276 -1.247 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.468 5.917 -2.620 1.00 0.00 N ATOM 0 H ASN B 3 10.867 3.446 0.645 1.00 0.00 H new ATOM 0 HA ASN B 3 10.270 5.617 0.171 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.217 6.970 -0.616 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.730 5.771 0.555 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.108 5.530 -3.314 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.964 6.782 -2.817 1.00 0.00 H new ATOM 366 N GLN B 4 9.706 4.486 -2.543 1.00 0.00 N ATOM 367 CA GLN B 4 9.178 4.708 -3.921 1.00 0.00 C ATOM 368 C GLN B 4 7.677 5.032 -3.919 1.00 0.00 C ATOM 369 O GLN B 4 6.912 4.527 -3.119 1.00 0.00 O ATOM 370 CB GLN B 4 9.446 3.476 -4.796 1.00 0.00 C ATOM 371 CG GLN B 4 10.667 3.738 -5.682 1.00 0.00 C ATOM 372 CD GLN B 4 10.211 4.154 -7.082 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.403 3.485 -7.695 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.700 5.239 -7.619 1.00 0.00 N ATOM 0 H GLN B 4 9.486 3.582 -2.125 1.00 0.00 H new ATOM 0 HA GLN B 4 9.701 5.571 -4.334 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.619 2.601 -4.169 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.575 3.258 -5.414 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.285 4.521 -5.243 1.00 0.00 H new ATOM 0 HG3 GLN B 4 11.284 2.841 -5.742 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.378 5.801 -7.105 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.404 5.524 -8.552 1.00 0.00 H new ATOM 383 N HIS B 5 7.254 5.868 -4.838 1.00 0.00 N ATOM 384 CA HIS B 5 5.810 6.231 -4.928 1.00 0.00 C ATOM 385 C HIS B 5 5.181 5.526 -6.132 1.00 0.00 C ATOM 386 O HIS B 5 5.845 5.270 -7.116 1.00 0.00 O ATOM 387 CB HIS B 5 5.664 7.744 -5.089 1.00 0.00 C ATOM 388 CG HIS B 5 6.747 8.262 -5.992 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.076 8.193 -5.635 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.682 8.850 -7.224 1.00 0.00 C ATOM 391 CE1 HIS B 5 8.772 8.735 -6.645 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.962 9.151 -7.639 1.00 0.00 N ATOM 0 H HIS B 5 7.853 6.315 -5.532 1.00 0.00 H new ATOM 0 HA HIS B 5 5.303 5.917 -4.015 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.685 7.983 -5.505 1.00 0.00 H new ATOM 0 HB3 HIS B 5 5.724 8.231 -4.116 1.00 0.00 H new ATOM 0 HD2 HIS B 5 5.778 9.046 -7.781 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.848 8.827 -6.660 1.00 0.00 H new ATOM 0 HE2 HIS B 5 8.238 9.595 -8.515 1.00 0.00 H new ATOM 400 N LEU B 6 3.909 5.208 -6.075 1.00 0.00 N ATOM 401 CA LEU B 6 3.284 4.521 -7.239 1.00 0.00 C ATOM 402 C LEU B 6 1.830 4.963 -7.462 1.00 0.00 C ATOM 403 O LEU B 6 1.054 5.087 -6.535 1.00 0.00 O ATOM 404 CB LEU B 6 3.340 3.008 -7.062 1.00 0.00 C ATOM 405 CG LEU B 6 4.769 2.578 -6.806 1.00 0.00 C ATOM 406 CD1 LEU B 6 5.027 2.641 -5.320 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.958 1.146 -7.288 1.00 0.00 C ATOM 0 H LEU B 6 3.290 5.392 -5.286 1.00 0.00 H new ATOM 0 HA LEU B 6 3.858 4.806 -8.121 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.704 2.706 -6.230 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.955 2.513 -7.954 1.00 0.00 H new ATOM 0 HG LEU B 6 5.460 3.233 -7.337 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.053 2.334 -5.115 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.876 3.661 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.339 1.973 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.986 0.833 -7.105 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.277 0.488 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.746 1.091 -8.356 1.00 0.00 H new ATOM 419 N CYS B 7 1.460 5.186 -8.705 1.00 0.00 N ATOM 420 CA CYS B 7 0.059 5.604 -9.029 1.00 0.00 C ATOM 421 C CYS B 7 -0.573 4.579 -9.984 1.00 0.00 C ATOM 422 O CYS B 7 0.117 3.796 -10.607 1.00 0.00 O ATOM 423 CB CYS B 7 0.075 6.963 -9.738 1.00 0.00 C ATOM 424 SG CYS B 7 -0.010 8.317 -8.541 1.00 0.00 S ATOM 0 H CYS B 7 2.076 5.095 -9.513 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.512 5.668 -8.103 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.983 7.056 -10.334 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.767 7.028 -10.427 1.00 0.00 H new ATOM 429 N GLY B 8 -1.876 4.601 -10.116 1.00 0.00 N ATOM 430 CA GLY B 8 -2.568 3.651 -11.046 1.00 0.00 C ATOM 431 C GLY B 8 -1.892 2.278 -11.009 1.00 0.00 C ATOM 432 O GLY B 8 -1.612 1.747 -9.955 1.00 0.00 O ATOM 0 H GLY B 8 -2.495 5.240 -9.617 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.616 3.555 -10.763 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.547 4.046 -12.062 1.00 0.00 H new ATOM 436 N SER B 9 -1.626 1.698 -12.156 1.00 0.00 N ATOM 437 CA SER B 9 -0.962 0.361 -12.179 1.00 0.00 C ATOM 438 C SER B 9 0.166 0.362 -11.149 1.00 0.00 C ATOM 439 O SER B 9 0.222 -0.484 -10.280 1.00 0.00 O ATOM 440 CB SER B 9 -0.392 0.091 -13.573 1.00 0.00 C ATOM 441 OG SER B 9 0.282 -1.161 -13.572 1.00 0.00 O ATOM 0 H SER B 9 -1.840 2.093 -13.072 1.00 0.00 H new ATOM 0 HA SER B 9 -1.684 -0.419 -11.939 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.194 0.084 -14.311 1.00 0.00 H new ATOM 0 HB3 SER B 9 0.296 0.887 -13.857 1.00 0.00 H new ATOM 0 HG SER B 9 0.647 -1.337 -14.464 1.00 0.00 H new ATOM 447 N ASP B 10 1.050 1.328 -11.221 1.00 0.00 N ATOM 448 CA ASP B 10 2.153 1.409 -10.224 1.00 0.00 C ATOM 449 C ASP B 10 1.559 1.130 -8.845 1.00 0.00 C ATOM 450 O ASP B 10 2.155 0.462 -8.023 1.00 0.00 O ATOM 451 CB ASP B 10 2.778 2.809 -10.282 1.00 0.00 C ATOM 452 CG ASP B 10 4.291 2.685 -10.468 1.00 0.00 C ATOM 453 OD1 ASP B 10 4.891 1.888 -9.766 1.00 0.00 O ATOM 454 OD2 ASP B 10 4.824 3.384 -11.314 1.00 0.00 O ATOM 0 H ASP B 10 1.052 2.062 -11.929 1.00 0.00 H new ATOM 0 HA ASP B 10 2.934 0.679 -10.435 1.00 0.00 H new ATOM 0 HB2 ASP B 10 2.345 3.378 -11.105 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.557 3.356 -9.365 1.00 0.00 H new ATOM 459 N LEU B 11 0.372 1.607 -8.598 1.00 0.00 N ATOM 460 CA LEU B 11 -0.280 1.340 -7.299 1.00 0.00 C ATOM 461 C LEU B 11 -0.602 -0.148 -7.250 1.00 0.00 C ATOM 462 O LEU B 11 -0.320 -0.841 -6.295 1.00 0.00 O ATOM 463 CB LEU B 11 -1.601 2.119 -7.245 1.00 0.00 C ATOM 464 CG LEU B 11 -1.905 2.677 -5.845 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.039 2.027 -4.768 1.00 0.00 C ATOM 466 CD2 LEU B 11 -1.668 4.180 -5.861 1.00 0.00 C ATOM 0 H LEU B 11 -0.173 2.173 -9.248 1.00 0.00 H new ATOM 0 HA LEU B 11 0.364 1.635 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.562 2.942 -7.959 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.416 1.466 -7.556 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.943 2.452 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.288 2.452 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.223 0.953 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.013 2.212 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.879 4.592 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.630 4.382 -6.124 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.325 4.644 -6.596 1.00 0.00 H new HETATM 478 N ABA B 12 -1.196 -0.626 -8.305 1.00 0.00 N HETATM 479 CA ABA B 12 -1.569 -2.062 -8.395 1.00 0.00 C HETATM 480 C ABA B 12 -0.297 -2.916 -8.424 1.00 0.00 C HETATM 481 O ABA B 12 -0.351 -4.125 -8.335 1.00 0.00 O HETATM 482 CB ABA B 12 -2.363 -2.276 -9.691 1.00 0.00 C HETATM 483 CG ABA B 12 -3.285 -3.480 -9.554 1.00 0.00 C HETATM 0 HG3 ABA B 12 -3.983 -3.312 -8.733 1.00 0.00 H new HETATM 0 HG2 ABA B 12 -2.692 -4.371 -9.350 1.00 0.00 H new HETATM 0 HG1 ABA B 12 -3.842 -3.619 -10.481 1.00 0.00 H new HETATM 0 HB3 ABA B 12 -1.677 -2.428 -10.525 1.00 0.00 H new HETATM 0 HB2 ABA B 12 -2.949 -1.385 -9.918 1.00 0.00 H new HETATM 0 HA ABA B 12 -2.173 -2.351 -7.535 1.00 0.00 H new ATOM 491 N GLU B 13 0.851 -2.298 -8.546 1.00 0.00 N ATOM 492 CA GLU B 13 2.115 -3.086 -8.578 1.00 0.00 C ATOM 493 C GLU B 13 2.658 -3.237 -7.164 1.00 0.00 C ATOM 494 O GLU B 13 2.857 -4.333 -6.684 1.00 0.00 O ATOM 495 CB GLU B 13 3.165 -2.383 -9.430 1.00 0.00 C ATOM 496 CG GLU B 13 3.364 -3.144 -10.743 1.00 0.00 C ATOM 497 CD GLU B 13 4.775 -3.735 -10.787 1.00 0.00 C ATOM 498 OE1 GLU B 13 5.287 -4.074 -9.733 1.00 0.00 O ATOM 499 OE2 GLU B 13 5.320 -3.836 -11.874 1.00 0.00 O ATOM 0 H GLU B 13 0.965 -1.287 -8.624 1.00 0.00 H new ATOM 0 HA GLU B 13 1.898 -4.064 -9.008 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.853 -1.359 -9.636 1.00 0.00 H new ATOM 0 HB3 GLU B 13 4.108 -2.325 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.623 -3.939 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.213 -2.474 -11.589 1.00 0.00 H new ATOM 506 N ALA B 14 2.896 -2.149 -6.481 1.00 0.00 N ATOM 507 CA ALA B 14 3.415 -2.261 -5.096 1.00 0.00 C ATOM 508 C ALA B 14 2.538 -3.273 -4.374 1.00 0.00 C ATOM 509 O ALA B 14 3.012 -4.183 -3.724 1.00 0.00 O ATOM 510 CB ALA B 14 3.334 -0.902 -4.401 1.00 0.00 C ATOM 0 H ALA B 14 2.754 -1.198 -6.822 1.00 0.00 H new ATOM 0 HA ALA B 14 4.457 -2.580 -5.091 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.716 -0.990 -3.384 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.931 -0.175 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.296 -0.570 -4.371 1.00 0.00 H new ATOM 516 N LEU B 15 1.251 -3.145 -4.538 1.00 0.00 N ATOM 517 CA LEU B 15 0.325 -4.123 -3.914 1.00 0.00 C ATOM 518 C LEU B 15 0.631 -5.499 -4.509 1.00 0.00 C ATOM 519 O LEU B 15 0.562 -6.514 -3.843 1.00 0.00 O ATOM 520 CB LEU B 15 -1.126 -3.773 -4.267 1.00 0.00 C ATOM 521 CG LEU B 15 -1.510 -2.347 -3.839 1.00 0.00 C ATOM 522 CD1 LEU B 15 -3.023 -2.221 -3.905 1.00 0.00 C ATOM 523 CD2 LEU B 15 -1.054 -2.017 -2.418 1.00 0.00 C ATOM 0 H LEU B 15 0.803 -2.405 -5.078 1.00 0.00 H new ATOM 0 HA LEU B 15 0.452 -4.110 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.270 -3.877 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.795 -4.486 -3.786 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.013 -1.649 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.318 -1.215 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.360 -2.409 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.478 -2.948 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.351 -0.999 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.516 -2.712 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.031 -2.105 -2.354 1.00 0.00 H new ATOM 535 N TYR B 16 0.959 -5.529 -5.776 1.00 0.00 N ATOM 536 CA TYR B 16 1.264 -6.819 -6.458 1.00 0.00 C ATOM 537 C TYR B 16 2.650 -7.314 -6.042 1.00 0.00 C ATOM 538 O TYR B 16 2.927 -8.497 -6.063 1.00 0.00 O ATOM 539 CB TYR B 16 1.258 -6.593 -7.972 1.00 0.00 C ATOM 540 CG TYR B 16 0.045 -7.235 -8.600 1.00 0.00 C ATOM 541 CD1 TYR B 16 -0.364 -8.513 -8.198 1.00 0.00 C ATOM 542 CD2 TYR B 16 -0.666 -6.552 -9.596 1.00 0.00 C ATOM 543 CE1 TYR B 16 -1.485 -9.108 -8.791 1.00 0.00 C ATOM 544 CE2 TYR B 16 -1.787 -7.146 -10.188 1.00 0.00 C ATOM 545 CZ TYR B 16 -2.197 -8.424 -9.785 1.00 0.00 C ATOM 546 OH TYR B 16 -3.301 -9.009 -10.371 1.00 0.00 O ATOM 0 H TYR B 16 1.029 -4.704 -6.372 1.00 0.00 H new ATOM 0 HA TYR B 16 0.514 -7.560 -6.179 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.262 -5.524 -8.186 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.165 -7.009 -8.411 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.185 -9.039 -7.431 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.349 -5.567 -9.907 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.800 -10.094 -8.482 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.336 -6.620 -10.955 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.678 -8.400 -11.039 1.00 0.00 H new ATOM 556 N LEU B 17 3.528 -6.422 -5.672 1.00 0.00 N ATOM 557 CA LEU B 17 4.897 -6.855 -5.269 1.00 0.00 C ATOM 558 C LEU B 17 4.955 -6.999 -3.759 1.00 0.00 C ATOM 559 O LEU B 17 5.834 -7.634 -3.213 1.00 0.00 O ATOM 560 CB LEU B 17 5.906 -5.799 -5.692 1.00 0.00 C ATOM 561 CG LEU B 17 6.752 -6.347 -6.840 1.00 0.00 C ATOM 562 CD1 LEU B 17 7.550 -7.558 -6.355 1.00 0.00 C ATOM 563 CD2 LEU B 17 5.837 -6.770 -7.990 1.00 0.00 C ATOM 0 H LEU B 17 3.358 -5.417 -5.631 1.00 0.00 H new ATOM 0 HA LEU B 17 5.128 -7.807 -5.747 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.391 -4.891 -6.005 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.544 -5.530 -4.850 1.00 0.00 H new ATOM 0 HG LEU B 17 7.439 -5.574 -7.185 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.153 -7.948 -7.175 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.202 -7.259 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.864 -8.331 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.440 -7.161 -8.810 1.00 0.00 H new ATOM 0 HD22 LEU B 17 5.151 -7.543 -7.644 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.267 -5.908 -8.338 1.00 0.00 H new ATOM 575 N VAL B 18 4.031 -6.394 -3.082 1.00 0.00 N ATOM 576 CA VAL B 18 4.026 -6.464 -1.606 1.00 0.00 C ATOM 577 C VAL B 18 3.410 -7.785 -1.148 1.00 0.00 C ATOM 578 O VAL B 18 4.058 -8.603 -0.527 1.00 0.00 O ATOM 579 CB VAL B 18 3.192 -5.306 -1.087 1.00 0.00 C ATOM 580 CG1 VAL B 18 2.959 -5.483 0.403 1.00 0.00 C ATOM 581 CG2 VAL B 18 3.935 -3.997 -1.316 1.00 0.00 C ATOM 0 H VAL B 18 3.272 -5.849 -3.492 1.00 0.00 H new ATOM 0 HA VAL B 18 5.045 -6.405 -1.222 1.00 0.00 H new ATOM 0 HB VAL B 18 2.238 -5.285 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.360 -4.653 0.779 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.431 -6.420 0.580 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.918 -5.503 0.921 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.334 -3.168 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.888 -4.022 -0.787 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.116 -3.863 -2.383 1.00 0.00 H new ATOM 591 N CYS B 19 2.158 -7.993 -1.445 1.00 0.00 N ATOM 592 CA CYS B 19 1.491 -9.258 -1.021 1.00 0.00 C ATOM 593 C CYS B 19 1.248 -10.149 -2.240 1.00 0.00 C ATOM 594 O CYS B 19 1.914 -11.147 -2.437 1.00 0.00 O ATOM 595 CB CYS B 19 0.147 -8.927 -0.367 1.00 0.00 C ATOM 596 SG CYS B 19 0.420 -8.320 1.317 1.00 0.00 S ATOM 0 H CYS B 19 1.567 -7.343 -1.963 1.00 0.00 H new ATOM 0 HA CYS B 19 2.131 -9.781 -0.311 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -0.378 -8.174 -0.954 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -0.486 -9.814 -0.346 1.00 0.00 H new ATOM 601 N GLY B 20 0.292 -9.801 -3.055 1.00 0.00 N ATOM 602 CA GLY B 20 -0.003 -10.632 -4.256 1.00 0.00 C ATOM 603 C GLY B 20 -0.705 -11.917 -3.822 1.00 0.00 C ATOM 604 O GLY B 20 -1.828 -12.181 -4.202 1.00 0.00 O ATOM 0 H GLY B 20 -0.298 -8.977 -2.942 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -0.633 -10.077 -4.951 1.00 0.00 H new ATOM 0 HA3 GLY B 20 0.921 -10.869 -4.784 1.00 0.00 H new ATOM 608 N GLU B 21 -0.056 -12.717 -3.021 1.00 0.00 N ATOM 609 CA GLU B 21 -0.699 -13.982 -2.563 1.00 0.00 C ATOM 610 C GLU B 21 -1.798 -13.648 -1.553 1.00 0.00 C ATOM 611 O GLU B 21 -2.873 -14.212 -1.582 1.00 0.00 O ATOM 612 CB GLU B 21 0.333 -14.913 -1.905 1.00 0.00 C ATOM 613 CG GLU B 21 1.757 -14.552 -2.350 1.00 0.00 C ATOM 614 CD GLU B 21 1.806 -14.402 -3.873 1.00 0.00 C ATOM 615 OE1 GLU B 21 0.999 -15.028 -4.539 1.00 0.00 O ATOM 616 OE2 GLU B 21 2.654 -13.662 -4.347 1.00 0.00 O ATOM 0 H GLU B 21 0.886 -12.552 -2.666 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.124 -14.492 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.257 -14.839 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.116 -15.948 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.071 -13.623 -1.874 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.454 -15.326 -2.030 1.00 0.00 H new ATOM 623 N ARG B 22 -1.537 -12.730 -0.661 1.00 0.00 N ATOM 624 CA ARG B 22 -2.569 -12.356 0.348 1.00 0.00 C ATOM 625 C ARG B 22 -3.717 -11.623 -0.348 1.00 0.00 C ATOM 626 O ARG B 22 -4.810 -11.523 0.173 1.00 0.00 O ATOM 627 CB ARG B 22 -1.939 -11.449 1.409 1.00 0.00 C ATOM 628 CG ARG B 22 -1.620 -12.274 2.658 1.00 0.00 C ATOM 629 CD ARG B 22 -1.372 -11.338 3.843 1.00 0.00 C ATOM 630 NE ARG B 22 -0.041 -11.635 4.442 1.00 0.00 N ATOM 631 CZ ARG B 22 0.339 -11.014 5.526 1.00 0.00 C ATOM 632 NH1 ARG B 22 -0.366 -11.121 6.619 1.00 0.00 N ATOM 633 NH2 ARG B 22 1.423 -10.286 5.515 1.00 0.00 N ATOM 0 H ARG B 22 -0.655 -12.224 -0.588 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.956 -13.255 0.829 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -1.029 -10.992 1.019 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.621 -10.637 1.661 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -2.447 -12.948 2.881 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -0.741 -12.894 2.482 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.411 -10.300 3.514 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -2.155 -11.465 4.590 1.00 0.00 H new ATOM 0 HE ARG B 22 0.573 -12.323 4.006 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.213 -11.689 6.626 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.070 -10.636 7.466 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.973 -10.203 4.660 1.00 0.00 H new ATOM 0 HH22 ARG B 22 1.720 -9.801 6.362 1.00 0.00 H new ATOM 647 N GLY B 23 -3.480 -11.112 -1.523 1.00 0.00 N ATOM 648 CA GLY B 23 -4.560 -10.389 -2.253 1.00 0.00 C ATOM 649 C GLY B 23 -4.499 -8.899 -1.905 1.00 0.00 C ATOM 650 O GLY B 23 -4.094 -8.538 -0.822 1.00 0.00 O ATOM 0 H GLY B 23 -2.585 -11.163 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.444 -10.528 -3.328 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.534 -10.797 -1.982 1.00 0.00 H new ATOM 654 N PHE B 24 -4.906 -8.027 -2.792 1.00 0.00 N ATOM 655 CA PHE B 24 -4.868 -6.572 -2.452 1.00 0.00 C ATOM 656 C PHE B 24 -6.109 -5.884 -3.023 1.00 0.00 C ATOM 657 O PHE B 24 -6.403 -5.993 -4.197 1.00 0.00 O ATOM 658 CB PHE B 24 -3.619 -5.909 -3.043 1.00 0.00 C ATOM 659 CG PHE B 24 -3.655 -5.978 -4.557 1.00 0.00 C ATOM 660 CD1 PHE B 24 -4.307 -4.975 -5.295 1.00 0.00 C ATOM 661 CD2 PHE B 24 -3.040 -7.044 -5.226 1.00 0.00 C ATOM 662 CE1 PHE B 24 -4.340 -5.045 -6.692 1.00 0.00 C ATOM 663 CE2 PHE B 24 -3.074 -7.111 -6.622 1.00 0.00 C ATOM 664 CZ PHE B 24 -3.727 -6.111 -7.356 1.00 0.00 C ATOM 0 H PHE B 24 -5.258 -8.254 -3.722 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.844 -6.472 -1.367 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.563 -4.869 -2.721 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.724 -6.407 -2.670 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.782 -4.151 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.538 -7.816 -4.662 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.840 -4.274 -7.258 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -2.597 -7.933 -7.135 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.756 -6.164 -8.434 1.00 0.00 H new ATOM 674 N PHE B 25 -6.837 -5.171 -2.208 1.00 0.00 N ATOM 675 CA PHE B 25 -8.052 -4.474 -2.717 1.00 0.00 C ATOM 676 C PHE B 25 -7.698 -3.021 -3.051 1.00 0.00 C ATOM 677 O PHE B 25 -7.080 -2.325 -2.271 1.00 0.00 O ATOM 678 CB PHE B 25 -9.154 -4.509 -1.653 1.00 0.00 C ATOM 679 CG PHE B 25 -8.651 -3.890 -0.370 1.00 0.00 C ATOM 680 CD1 PHE B 25 -8.622 -2.497 -0.231 1.00 0.00 C ATOM 681 CD2 PHE B 25 -8.220 -4.710 0.682 1.00 0.00 C ATOM 682 CE1 PHE B 25 -8.159 -1.921 0.961 1.00 0.00 C ATOM 683 CE2 PHE B 25 -7.758 -4.134 1.874 1.00 0.00 C ATOM 684 CZ PHE B 25 -7.727 -2.740 2.013 1.00 0.00 C ATOM 0 H PHE B 25 -6.644 -5.041 -1.215 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.411 -4.977 -3.615 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.031 -3.968 -2.008 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.465 -5.538 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.956 -1.866 -1.042 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.244 -5.784 0.575 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -8.135 -0.847 1.068 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.426 -4.765 2.685 1.00 0.00 H new ATOM 0 HZ PHE B 25 -7.370 -2.297 2.931 1.00 0.00 H new ATOM 694 N TYR B 26 -8.082 -2.562 -4.210 1.00 0.00 N ATOM 695 CA TYR B 26 -7.767 -1.160 -4.604 1.00 0.00 C ATOM 696 C TYR B 26 -9.067 -0.351 -4.681 1.00 0.00 C ATOM 697 O TYR B 26 -9.842 -0.488 -5.606 1.00 0.00 O ATOM 698 CB TYR B 26 -7.064 -1.170 -5.969 1.00 0.00 C ATOM 699 CG TYR B 26 -7.177 0.180 -6.632 1.00 0.00 C ATOM 700 CD1 TYR B 26 -6.755 1.331 -5.957 1.00 0.00 C ATOM 701 CD2 TYR B 26 -7.701 0.276 -7.927 1.00 0.00 C ATOM 702 CE1 TYR B 26 -6.855 2.583 -6.580 1.00 0.00 C ATOM 703 CE2 TYR B 26 -7.803 1.527 -8.551 1.00 0.00 C ATOM 704 CZ TYR B 26 -7.379 2.682 -7.876 1.00 0.00 C ATOM 705 OH TYR B 26 -7.477 3.915 -8.488 1.00 0.00 O ATOM 0 H TYR B 26 -8.602 -3.099 -4.904 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.109 -0.701 -3.866 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.014 -1.432 -5.842 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.508 -1.934 -6.608 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.353 1.255 -4.958 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.027 -0.614 -8.445 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.528 3.472 -6.061 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.207 1.602 -9.550 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.860 3.806 -9.383 1.00 0.00 H new ATOM 715 N THR B 27 -9.308 0.489 -3.712 1.00 0.00 N ATOM 716 CA THR B 27 -10.556 1.306 -3.724 1.00 0.00 C ATOM 717 C THR B 27 -10.253 2.704 -4.265 1.00 0.00 C ATOM 718 O THR B 27 -9.114 3.121 -4.332 1.00 0.00 O ATOM 719 CB THR B 27 -11.099 1.418 -2.297 1.00 0.00 C ATOM 720 OG1 THR B 27 -10.028 1.694 -1.406 1.00 0.00 O ATOM 721 CG2 THR B 27 -11.772 0.104 -1.899 1.00 0.00 C ATOM 0 H THR B 27 -8.695 0.645 -2.912 1.00 0.00 H new ATOM 0 HA THR B 27 -11.297 0.827 -4.363 1.00 0.00 H new ATOM 0 HB THR B 27 -11.830 2.225 -2.248 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.374 1.768 -0.492 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.158 0.186 -0.883 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.594 -0.106 -2.583 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.045 -0.706 -1.947 1.00 0.00 H new ATOM 729 N LYS B 28 -11.265 3.434 -4.652 1.00 0.00 N ATOM 730 CA LYS B 28 -11.036 4.807 -5.186 1.00 0.00 C ATOM 731 C LYS B 28 -11.950 5.800 -4.460 1.00 0.00 C ATOM 732 O LYS B 28 -12.919 6.273 -5.022 1.00 0.00 O ATOM 733 CB LYS B 28 -11.347 4.833 -6.685 1.00 0.00 C ATOM 734 CG LYS B 28 -10.830 6.140 -7.290 1.00 0.00 C ATOM 735 CD LYS B 28 -10.603 5.954 -8.791 1.00 0.00 C ATOM 736 CE LYS B 28 -9.610 7.003 -9.294 1.00 0.00 C ATOM 737 NZ LYS B 28 -10.270 7.865 -10.314 1.00 0.00 N ATOM 0 H LYS B 28 -12.241 3.138 -4.621 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.995 5.087 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.880 3.981 -7.179 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.421 4.745 -6.846 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.548 6.942 -7.117 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.900 6.435 -6.805 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.221 4.953 -8.990 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.548 6.047 -9.326 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.256 7.612 -8.462 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.737 6.514 -9.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.594 8.578 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.587 7.278 -11.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.090 8.342 -9.888 1.00 0.00 H new ATOM 751 N PRO B 29 -11.611 6.086 -3.230 1.00 0.00 N ATOM 752 CA PRO B 29 -12.379 7.021 -2.390 1.00 0.00 C ATOM 753 C PRO B 29 -12.044 8.471 -2.756 1.00 0.00 C ATOM 754 O PRO B 29 -11.409 9.179 -2.001 1.00 0.00 O ATOM 755 CB PRO B 29 -11.908 6.695 -0.970 1.00 0.00 C ATOM 756 CG PRO B 29 -10.523 6.019 -1.113 1.00 0.00 C ATOM 757 CD PRO B 29 -10.432 5.501 -2.561 1.00 0.00 C ATOM 0 HA PRO B 29 -13.457 6.920 -2.512 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.838 7.600 -0.367 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.614 6.032 -0.469 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.722 6.729 -0.905 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.416 5.200 -0.401 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -9.505 5.817 -3.039 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.454 4.412 -2.596 1.00 0.00 H new ATOM 765 N THR B 30 -12.465 8.919 -3.907 1.00 0.00 N ATOM 766 CA THR B 30 -12.166 10.321 -4.312 1.00 0.00 C ATOM 767 C THR B 30 -10.652 10.533 -4.340 1.00 0.00 C ATOM 768 O THR B 30 -10.132 11.077 -3.380 1.00 0.00 O ATOM 769 CB THR B 30 -12.796 11.288 -3.308 1.00 0.00 C ATOM 770 OG1 THR B 30 -14.126 10.874 -3.028 1.00 0.00 O ATOM 771 CG2 THR B 30 -12.810 12.700 -3.895 1.00 0.00 C ATOM 772 OXT THR B 30 -10.037 10.149 -5.321 1.00 0.00 O ATOM 0 H THR B 30 -13.002 8.376 -4.583 1.00 0.00 H new ATOM 0 HA THR B 30 -12.578 10.507 -5.304 1.00 0.00 H new ATOM 0 HB THR B 30 -12.213 11.288 -2.387 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.532 11.491 -2.384 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.259 13.388 -3.178 1.00 0.00 H new ATOM 0 HG22 THR B 30 -11.789 13.015 -4.109 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.392 12.705 -4.817 1.00 0.00 H new TER 780 THR B 30