USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 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 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 18 ASN : amide:sc= 0.577 K(o=1.2,f=-0.79) USER MOD Set 1.2: A 21 ASN : amide:sc= 0.64 K(o=1.2,f=-0.37) USER MOD Single : A 1 GLY N :NH3+ -173:sc= 0.263 (180deg=0.246) USER MOD Single : A 5 GLN : amide:sc= 0.296 K(o=0.3,f=-1.1) 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.613 K(o=0.61,f=-4.3!) USER MOD Single : A 19 TYR OH : rot -5:sc= 1.14 USER MOD Single : B 1 PHE N :NH3+ 180:sc= -0.0199 (180deg=-0.0199) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= 0.251 K(o=0.25,f=-1.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0574 K(o=-0.057,f=-1.1) 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 -111:sc= 0.901 USER MOD Single : B 29 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.13) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.370 -4.915 6.155 1.00 0.00 N ATOM 2 CA GLY A 1 -3.189 -3.445 6.194 1.00 0.00 C ATOM 3 C GLY A 1 -1.865 -3.056 6.836 1.00 0.00 C ATOM 4 O GLY A 1 -1.225 -3.878 7.493 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.223 -5.145 5.607 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.541 -5.355 5.706 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.473 -5.278 7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.233 -3.046 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.010 -2.992 6.750 1.00 0.00 H new ATOM 10 N ILE A 2 -1.440 -1.802 6.655 1.00 0.00 N ATOM 11 CA ILE A 2 -0.192 -1.247 7.210 1.00 0.00 C ATOM 12 C ILE A 2 -0.385 0.213 7.663 1.00 0.00 C ATOM 13 O ILE A 2 -1.027 1.014 6.977 1.00 0.00 O ATOM 14 CB ILE A 2 0.975 -1.438 6.205 1.00 0.00 C ATOM 15 CG1 ILE A 2 2.355 -1.002 6.746 1.00 0.00 C ATOM 16 CG2 ILE A 2 0.726 -0.725 4.863 1.00 0.00 C ATOM 17 CD1 ILE A 2 2.850 -1.811 7.949 1.00 0.00 C ATOM 0 H ILE A 2 -1.965 -1.123 6.104 1.00 0.00 H new ATOM 0 HA ILE A 2 0.079 -1.799 8.110 1.00 0.00 H new ATOM 0 HB ILE A 2 1.000 -2.516 6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.088 -1.083 5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.305 0.050 7.027 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.574 -0.893 4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.179 -1.122 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.606 0.345 5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.825 -1.437 8.262 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.141 -1.711 8.771 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.936 -2.861 7.670 1.00 0.00 H new ATOM 29 N VAL A 3 0.172 0.562 8.831 1.00 0.00 N ATOM 30 CA VAL A 3 0.019 1.881 9.493 1.00 0.00 C ATOM 31 C VAL A 3 1.054 2.934 9.055 1.00 0.00 C ATOM 32 O VAL A 3 1.049 4.063 9.542 1.00 0.00 O ATOM 33 CB VAL A 3 -0.028 1.740 11.031 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.211 0.871 11.473 1.00 0.00 C ATOM 35 CG2 VAL A 3 1.263 1.150 11.612 1.00 0.00 C ATOM 0 H VAL A 3 0.760 -0.079 9.363 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.943 2.264 9.151 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.146 2.752 11.417 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.217 0.790 12.560 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.143 1.327 11.138 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.116 -0.123 11.036 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.173 1.074 12.696 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.431 0.159 11.192 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.104 1.798 11.362 1.00 0.00 H new ATOM 45 N GLU A 4 1.926 2.577 8.112 1.00 0.00 N ATOM 46 CA GLU A 4 2.919 3.436 7.455 1.00 0.00 C ATOM 47 C GLU A 4 2.774 3.284 5.933 1.00 0.00 C ATOM 48 O GLU A 4 2.662 2.161 5.437 1.00 0.00 O ATOM 49 CB GLU A 4 4.314 3.016 7.941 1.00 0.00 C ATOM 50 CG GLU A 4 5.461 3.867 7.390 1.00 0.00 C ATOM 51 CD GLU A 4 6.810 3.303 7.873 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.175 3.529 9.053 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.492 2.603 7.086 1.00 0.00 O1- ATOM 0 H GLU A 4 1.962 1.620 7.762 1.00 0.00 H new ATOM 0 HA GLU A 4 2.768 4.486 7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.335 3.062 9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.484 1.976 7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.429 3.875 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.350 4.900 7.719 1.00 0.00 H new ATOM 60 N GLN A 5 2.735 4.394 5.187 1.00 0.00 N ATOM 61 CA GLN A 5 2.414 4.387 3.754 1.00 0.00 C ATOM 62 C GLN A 5 3.412 5.205 2.925 1.00 0.00 C ATOM 63 O GLN A 5 3.788 6.318 3.298 1.00 0.00 O ATOM 64 CB GLN A 5 0.974 4.885 3.505 1.00 0.00 C ATOM 65 CG GLN A 5 -0.115 4.150 4.314 1.00 0.00 C ATOM 66 CD GLN A 5 -0.338 4.694 5.729 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.030 5.832 6.064 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.903 3.918 6.628 1.00 0.00 N ATOM 0 H GLN A 5 2.925 5.324 5.560 1.00 0.00 H new ATOM 0 HA GLN A 5 2.490 3.351 3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.927 5.948 3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.748 4.784 2.443 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.055 4.206 3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.152 3.095 4.383 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.172 2.965 6.383 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.072 4.269 7.571 1.00 0.00 H new ATOM 77 N CYS A 6 3.761 4.695 1.741 1.00 0.00 N ATOM 78 CA CYS A 6 4.616 5.358 0.747 1.00 0.00 C ATOM 79 C CYS A 6 3.846 6.407 -0.089 1.00 0.00 C ATOM 80 O CYS A 6 4.007 6.498 -1.307 1.00 0.00 O ATOM 81 CB CYS A 6 5.315 4.275 -0.088 1.00 0.00 C ATOM 82 SG CYS A 6 6.525 3.311 0.856 1.00 0.00 S ATOM 0 H CYS A 6 3.445 3.775 1.435 1.00 0.00 H new ATOM 0 HA CYS A 6 5.384 5.946 1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.563 3.600 -0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.816 4.745 -0.934 1.00 0.00 H new ATOM 87 N CYS A 7 2.975 7.181 0.569 1.00 0.00 N ATOM 88 CA CYS A 7 2.195 8.272 -0.025 1.00 0.00 C ATOM 89 C CYS A 7 2.971 9.608 -0.013 1.00 0.00 C ATOM 90 O CYS A 7 2.763 10.464 -0.875 1.00 0.00 O ATOM 91 CB CYS A 7 0.865 8.362 0.733 1.00 0.00 C ATOM 92 SG CYS A 7 -0.417 9.388 -0.043 1.00 0.00 S ATOM 0 H CYS A 7 2.788 7.060 1.564 1.00 0.00 H new ATOM 0 HA CYS A 7 2.002 8.064 -1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.471 7.354 0.858 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.063 8.753 1.731 1.00 0.00 H new ATOM 97 N THR A 8 3.911 9.757 0.929 1.00 0.00 N ATOM 98 CA THR A 8 4.993 10.757 0.916 1.00 0.00 C ATOM 99 C THR A 8 6.345 10.031 0.874 1.00 0.00 C ATOM 100 O THR A 8 6.524 9.005 1.538 1.00 0.00 O ATOM 101 CB THR A 8 4.871 11.750 2.084 1.00 0.00 C ATOM 102 OG1 THR A 8 5.853 12.759 1.958 1.00 0.00 O ATOM 103 CG2 THR A 8 5.028 11.127 3.473 1.00 0.00 C ATOM 0 H THR A 8 3.942 9.161 1.756 1.00 0.00 H new ATOM 0 HA THR A 8 4.912 11.370 0.018 1.00 0.00 H new ATOM 0 HB THR A 8 3.856 12.142 2.016 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.771 13.390 2.703 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.927 11.902 4.233 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.258 10.370 3.622 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.011 10.664 3.555 1.00 0.00 H new ATOM 111 N SER A 9 7.265 10.515 0.030 1.00 0.00 N ATOM 112 CA SER A 9 8.284 9.699 -0.661 1.00 0.00 C ATOM 113 C SER A 9 7.689 8.556 -1.507 1.00 0.00 C ATOM 114 O SER A 9 6.580 8.074 -1.270 1.00 0.00 O ATOM 115 CB SER A 9 9.377 9.201 0.294 1.00 0.00 C ATOM 116 OG SER A 9 10.451 8.633 -0.441 1.00 0.00 O ATOM 0 H SER A 9 7.327 11.507 -0.200 1.00 0.00 H new ATOM 0 HA SER A 9 8.761 10.373 -1.372 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.741 10.028 0.904 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.963 8.460 0.977 1.00 0.00 H new ATOM 0 HG SER A 9 11.143 8.321 0.179 1.00 0.00 H new ATOM 122 N ILE A 10 8.423 8.142 -2.538 1.00 0.00 N ATOM 123 CA ILE A 10 7.976 7.158 -3.543 1.00 0.00 C ATOM 124 C ILE A 10 8.323 5.715 -3.126 1.00 0.00 C ATOM 125 O ILE A 10 7.620 4.782 -3.517 1.00 0.00 O ATOM 126 CB ILE A 10 8.525 7.572 -4.932 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.854 8.902 -5.355 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.284 6.501 -6.008 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.433 9.561 -6.611 1.00 0.00 C ATOM 0 H ILE A 10 9.368 8.485 -2.709 1.00 0.00 H new ATOM 0 HA ILE A 10 6.888 7.161 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 10 9.605 7.692 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.792 8.717 -5.519 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.931 9.607 -4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.689 6.844 -6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.779 5.574 -5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.214 6.324 -6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.893 10.484 -6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.487 9.786 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.331 8.882 -7.458 1.00 0.00 H new ATOM 141 N CYS A 11 9.341 5.546 -2.271 1.00 0.00 N ATOM 142 CA CYS A 11 9.910 4.273 -1.803 1.00 0.00 C ATOM 143 C CYS A 11 10.531 3.369 -2.893 1.00 0.00 C ATOM 144 O CYS A 11 10.230 3.462 -4.086 1.00 0.00 O ATOM 145 CB CYS A 11 8.881 3.497 -0.963 1.00 0.00 C ATOM 146 SG CYS A 11 8.256 4.327 0.519 1.00 0.00 S ATOM 0 H CYS A 11 9.821 6.347 -1.861 1.00 0.00 H new ATOM 0 HA CYS A 11 10.759 4.563 -1.184 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.032 3.255 -1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.331 2.552 -0.660 1.00 0.00 H new ATOM 151 N SER A 12 11.385 2.445 -2.446 1.00 0.00 N ATOM 152 CA SER A 12 11.863 1.281 -3.209 1.00 0.00 C ATOM 153 C SER A 12 11.053 0.028 -2.848 1.00 0.00 C ATOM 154 O SER A 12 10.548 -0.090 -1.729 1.00 0.00 O ATOM 155 CB SER A 12 13.356 1.041 -2.948 1.00 0.00 C ATOM 156 OG SER A 12 14.126 2.148 -3.394 1.00 0.00 O ATOM 0 H SER A 12 11.780 2.485 -1.506 1.00 0.00 H new ATOM 0 HA SER A 12 11.725 1.490 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.523 0.880 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.680 0.136 -3.462 1.00 0.00 H new ATOM 0 HG SER A 12 15.075 1.978 -3.218 1.00 0.00 H new ATOM 162 N LEU A 13 10.952 -0.943 -3.762 1.00 0.00 N ATOM 163 CA LEU A 13 10.117 -2.145 -3.576 1.00 0.00 C ATOM 164 C LEU A 13 10.566 -3.023 -2.392 1.00 0.00 C ATOM 165 O LEU A 13 9.729 -3.686 -1.783 1.00 0.00 O ATOM 166 CB LEU A 13 10.068 -2.966 -4.879 1.00 0.00 C ATOM 167 CG LEU A 13 9.001 -2.503 -5.891 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.233 -1.088 -6.423 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.983 -3.457 -7.087 1.00 0.00 C ATOM 0 H LEU A 13 11.446 -0.922 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 13 9.115 -1.795 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.046 -2.922 -5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.882 -4.010 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 13 8.054 -2.505 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.444 -0.831 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.222 -0.381 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.199 -1.042 -6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.229 -3.130 -7.802 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.962 -3.458 -7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.746 -4.464 -6.745 1.00 0.00 H new ATOM 181 N TYR A 14 11.842 -2.966 -1.995 1.00 0.00 N ATOM 182 CA TYR A 14 12.346 -3.604 -0.771 1.00 0.00 C ATOM 183 C TYR A 14 11.591 -3.151 0.495 1.00 0.00 C ATOM 184 O TYR A 14 11.352 -3.951 1.399 1.00 0.00 O ATOM 185 CB TYR A 14 13.846 -3.292 -0.639 1.00 0.00 C ATOM 186 CG TYR A 14 14.463 -3.788 0.658 1.00 0.00 C ATOM 187 CD1 TYR A 14 14.863 -5.132 0.781 1.00 0.00 C ATOM 188 CD2 TYR A 14 14.592 -2.913 1.756 1.00 0.00 C ATOM 189 CE1 TYR A 14 15.389 -5.605 2.000 1.00 0.00 C ATOM 190 CE2 TYR A 14 15.108 -3.383 2.978 1.00 0.00 C ATOM 191 CZ TYR A 14 15.510 -4.731 3.104 1.00 0.00 C ATOM 192 OH TYR A 14 16.010 -5.178 4.289 1.00 0.00 O ATOM 0 H TYR A 14 12.563 -2.470 -2.520 1.00 0.00 H new ATOM 0 HA TYR A 14 12.181 -4.678 -0.856 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.376 -3.742 -1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.991 -2.214 -0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 14 14.767 -5.802 -0.060 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.294 -1.879 1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.700 -6.635 2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.197 -2.712 3.820 1.00 0.00 H new ATOM 0 HH TYR A 14 16.023 -4.443 4.937 1.00 0.00 H new ATOM 202 N GLN A 15 11.161 -1.885 0.552 1.00 0.00 N ATOM 203 CA GLN A 15 10.399 -1.344 1.686 1.00 0.00 C ATOM 204 C GLN A 15 8.978 -1.920 1.719 1.00 0.00 C ATOM 205 O GLN A 15 8.458 -2.235 2.790 1.00 0.00 O ATOM 206 CB GLN A 15 10.336 0.189 1.607 1.00 0.00 C ATOM 207 CG GLN A 15 11.734 0.825 1.611 1.00 0.00 C ATOM 208 CD GLN A 15 11.675 2.340 1.458 1.00 0.00 C ATOM 209 OE1 GLN A 15 11.927 2.884 0.391 1.00 0.00 O ATOM 210 NE2 GLN A 15 11.335 3.079 2.492 1.00 0.00 N ATOM 0 H GLN A 15 11.332 -1.204 -0.188 1.00 0.00 H new ATOM 0 HA GLN A 15 10.912 -1.635 2.603 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.807 0.484 0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.761 0.572 2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.243 0.575 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.327 0.402 0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.123 2.637 3.387 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.284 4.093 2.399 1.00 0.00 H new ATOM 219 N LEU A 16 8.384 -2.120 0.536 1.00 0.00 N ATOM 220 CA LEU A 16 7.087 -2.780 0.382 1.00 0.00 C ATOM 221 C LEU A 16 7.178 -4.264 0.791 1.00 0.00 C ATOM 222 O LEU A 16 6.372 -4.735 1.590 1.00 0.00 O ATOM 223 CB LEU A 16 6.562 -2.618 -1.060 1.00 0.00 C ATOM 224 CG LEU A 16 6.487 -1.181 -1.609 1.00 0.00 C ATOM 225 CD1 LEU A 16 5.849 -1.183 -2.998 1.00 0.00 C ATOM 226 CD2 LEU A 16 5.670 -0.251 -0.712 1.00 0.00 C ATOM 0 H LEU A 16 8.797 -1.824 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 16 6.371 -2.299 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.200 -3.203 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.565 -3.055 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 16 7.512 -0.811 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.800 -0.162 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.449 -1.793 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.842 -1.595 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.650 0.749 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.652 -0.630 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.125 -0.208 0.278 1.00 0.00 H new ATOM 238 N GLU A 17 8.214 -4.980 0.338 1.00 0.00 N ATOM 239 CA GLU A 17 8.502 -6.355 0.781 1.00 0.00 C ATOM 240 C GLU A 17 8.696 -6.452 2.304 1.00 0.00 C ATOM 241 O GLU A 17 8.284 -7.441 2.910 1.00 0.00 O ATOM 242 CB GLU A 17 9.757 -6.908 0.082 1.00 0.00 C ATOM 243 CG GLU A 17 9.549 -7.203 -1.405 1.00 0.00 C ATOM 244 CD GLU A 17 10.815 -7.831 -2.021 1.00 0.00 C ATOM 245 OE1 GLU A 17 10.966 -9.076 -1.969 1.00 0.00 O1- ATOM 246 OE2 GLU A 17 11.671 -7.088 -2.559 1.00 0.00 O ATOM 0 H GLU A 17 8.880 -4.624 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 17 7.632 -6.951 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.570 -6.190 0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.070 -7.823 0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.704 -7.879 -1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.301 -6.282 -1.932 1.00 0.00 H new ATOM 253 N ASN A 18 9.259 -5.425 2.953 1.00 0.00 N ATOM 254 CA ASN A 18 9.469 -5.430 4.402 1.00 0.00 C ATOM 255 C ASN A 18 8.156 -5.361 5.214 1.00 0.00 C ATOM 256 O ASN A 18 8.106 -5.873 6.332 1.00 0.00 O ATOM 257 CB ASN A 18 10.472 -4.331 4.790 1.00 0.00 C ATOM 258 CG ASN A 18 11.067 -4.579 6.169 1.00 0.00 C ATOM 259 OD1 ASN A 18 11.489 -5.680 6.505 1.00 0.00 O ATOM 260 ND2 ASN A 18 11.140 -3.570 7.009 1.00 0.00 N ATOM 0 H ASN A 18 9.579 -4.574 2.490 1.00 0.00 H new ATOM 0 HA ASN A 18 9.900 -6.395 4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.271 -4.289 4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.974 -3.362 4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.546 -3.705 7.935 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.791 -2.652 6.735 1.00 0.00 H new ATOM 267 N TYR A 19 7.060 -4.840 4.648 1.00 0.00 N ATOM 268 CA TYR A 19 5.717 -4.926 5.251 1.00 0.00 C ATOM 269 C TYR A 19 5.111 -6.349 5.190 1.00 0.00 C ATOM 270 O TYR A 19 4.131 -6.640 5.881 1.00 0.00 O ATOM 271 CB TYR A 19 4.791 -3.878 4.607 1.00 0.00 C ATOM 272 CG TYR A 19 5.277 -2.433 4.646 1.00 0.00 C ATOM 273 CD1 TYR A 19 5.866 -1.892 5.811 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.101 -1.610 3.516 1.00 0.00 C ATOM 275 CE1 TYR A 19 6.289 -0.546 5.836 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.523 -0.266 3.536 1.00 0.00 C ATOM 277 CZ TYR A 19 6.123 0.269 4.695 1.00 0.00 C ATOM 278 OH TYR A 19 6.537 1.566 4.702 1.00 0.00 O ATOM 0 H TYR A 19 7.076 -4.345 3.756 1.00 0.00 H new ATOM 0 HA TYR A 19 5.818 -4.705 6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.630 -4.157 3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.822 -3.927 5.103 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.993 -2.512 6.686 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.639 -2.013 2.627 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.740 -0.139 6.729 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.387 0.355 2.663 1.00 0.00 H new ATOM 0 HH TYR A 19 6.848 1.805 5.600 1.00 0.00 H new ATOM 288 N CYS A 20 5.727 -7.249 4.415 1.00 0.00 N ATOM 289 CA CYS A 20 5.397 -8.672 4.265 1.00 0.00 C ATOM 290 C CYS A 20 6.453 -9.616 4.897 1.00 0.00 C ATOM 291 O CYS A 20 6.312 -10.841 4.860 1.00 0.00 O ATOM 292 CB CYS A 20 5.231 -8.942 2.766 1.00 0.00 C ATOM 293 SG CYS A 20 3.993 -7.906 1.934 1.00 0.00 S ATOM 0 H CYS A 20 6.524 -6.985 3.836 1.00 0.00 H new ATOM 0 HA CYS A 20 4.475 -8.885 4.807 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.194 -8.796 2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.959 -9.989 2.628 1.00 0.00 H new ATOM 298 N ASN A 21 7.518 -9.058 5.480 1.00 0.00 N ATOM 299 CA ASN A 21 8.678 -9.772 6.028 1.00 0.00 C ATOM 300 C ASN A 21 8.435 -10.245 7.475 1.00 0.00 C ATOM 301 O ASN A 21 8.842 -9.594 8.447 1.00 0.00 O ATOM 302 CB ASN A 21 9.900 -8.845 5.877 1.00 0.00 C ATOM 303 CG ASN A 21 11.208 -9.424 6.391 1.00 0.00 C ATOM 304 OD1 ASN A 21 11.395 -10.628 6.511 1.00 0.00 O ATOM 305 ND2 ASN A 21 12.165 -8.574 6.691 1.00 0.00 N ATOM 0 H ASN A 21 7.600 -8.047 5.589 1.00 0.00 H new ATOM 0 HA ASN A 21 8.861 -10.694 5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.020 -8.594 4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.699 -7.913 6.406 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.066 -8.917 7.025 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.007 -7.571 6.590 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 5.040 3.404 -10.054 1.00 0.00 N ATOM 314 CA PHE B 1 5.037 2.346 -9.036 1.00 0.00 C ATOM 315 C PHE B 1 6.371 2.311 -8.268 1.00 0.00 C ATOM 316 O PHE B 1 6.401 2.126 -7.052 1.00 0.00 O ATOM 317 CB PHE B 1 4.750 1.011 -9.744 1.00 0.00 C ATOM 318 CG PHE B 1 4.341 -0.140 -8.840 1.00 0.00 C ATOM 319 CD1 PHE B 1 5.300 -0.819 -8.065 1.00 0.00 C ATOM 320 CD2 PHE B 1 2.999 -0.569 -8.818 1.00 0.00 C ATOM 321 CE1 PHE B 1 4.923 -1.927 -7.287 1.00 0.00 C ATOM 322 CE2 PHE B 1 2.625 -1.683 -8.047 1.00 0.00 C ATOM 323 CZ PHE B 1 3.589 -2.367 -7.289 1.00 0.00 C ATOM 0 H1 PHE B 1 4.129 3.405 -10.556 1.00 0.00 H new ATOM 0 H2 PHE B 1 5.184 4.326 -9.596 1.00 0.00 H new ATOM 0 H3 PHE B 1 5.809 3.231 -10.732 1.00 0.00 H new ATOM 0 HA PHE B 1 4.263 2.539 -8.293 1.00 0.00 H new ATOM 0 HB2 PHE B 1 3.959 1.172 -10.477 1.00 0.00 H new ATOM 0 HB3 PHE B 1 5.641 0.715 -10.297 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.328 -0.488 -8.068 1.00 0.00 H new ATOM 0 HD2 PHE B 1 2.255 -0.040 -9.396 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.660 -2.441 -6.687 1.00 0.00 H new ATOM 0 HE2 PHE B 1 1.597 -2.013 -8.038 1.00 0.00 H new ATOM 0 HZ PHE B 1 3.305 -3.232 -6.707 1.00 0.00 H new ATOM 333 N VAL B 2 7.473 2.565 -8.983 1.00 0.00 N ATOM 334 CA VAL B 2 8.789 2.965 -8.438 1.00 0.00 C ATOM 335 C VAL B 2 9.148 4.416 -8.830 1.00 0.00 C ATOM 336 O VAL B 2 10.169 4.955 -8.404 1.00 0.00 O ATOM 337 CB VAL B 2 9.854 1.914 -8.815 1.00 0.00 C ATOM 338 CG1 VAL B 2 10.293 1.997 -10.282 1.00 0.00 C ATOM 339 CG2 VAL B 2 11.087 1.958 -7.906 1.00 0.00 C ATOM 0 H VAL B 2 7.479 2.496 -10.001 1.00 0.00 H new ATOM 0 HA VAL B 2 8.747 2.981 -7.349 1.00 0.00 H new ATOM 0 HB VAL B 2 9.353 0.958 -8.666 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.043 1.231 -10.481 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.431 1.838 -10.929 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.718 2.981 -10.479 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.799 1.196 -8.222 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.554 2.941 -7.973 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.786 1.769 -6.875 1.00 0.00 H new ATOM 349 N ASN B 3 8.275 5.072 -9.608 1.00 0.00 N ATOM 350 CA ASN B 3 8.339 6.488 -10.000 1.00 0.00 C ATOM 351 C ASN B 3 7.058 7.272 -9.617 1.00 0.00 C ATOM 352 O ASN B 3 6.922 8.446 -9.969 1.00 0.00 O ATOM 353 CB ASN B 3 8.638 6.571 -11.511 1.00 0.00 C ATOM 354 CG ASN B 3 9.978 5.964 -11.893 1.00 0.00 C ATOM 355 OD1 ASN B 3 10.062 4.862 -12.418 1.00 0.00 O ATOM 356 ND2 ASN B 3 11.069 6.655 -11.648 1.00 0.00 N ATOM 0 H ASN B 3 7.460 4.603 -10.003 1.00 0.00 H new ATOM 0 HA ASN B 3 9.145 6.968 -9.445 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.846 6.061 -12.060 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.619 7.616 -11.821 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.981 6.272 -11.895 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.003 7.574 -11.210 1.00 0.00 H new ATOM 363 N GLN B 4 6.119 6.637 -8.903 1.00 0.00 N ATOM 364 CA GLN B 4 4.859 7.220 -8.424 1.00 0.00 C ATOM 365 C GLN B 4 4.493 6.655 -7.039 1.00 0.00 C ATOM 366 O GLN B 4 4.721 5.478 -6.757 1.00 0.00 O ATOM 367 CB GLN B 4 3.752 6.947 -9.460 1.00 0.00 C ATOM 368 CG GLN B 4 2.438 7.681 -9.150 1.00 0.00 C ATOM 369 CD GLN B 4 1.398 7.461 -10.246 1.00 0.00 C ATOM 370 OE1 GLN B 4 1.217 8.273 -11.147 1.00 0.00 O ATOM 371 NE2 GLN B 4 0.681 6.354 -10.230 1.00 0.00 N ATOM 0 H GLN B 4 6.222 5.659 -8.632 1.00 0.00 H new ATOM 0 HA GLN B 4 4.972 8.298 -8.310 1.00 0.00 H new ATOM 0 HB2 GLN B 4 4.105 7.248 -10.447 1.00 0.00 H new ATOM 0 HB3 GLN B 4 3.560 5.875 -9.503 1.00 0.00 H new ATOM 0 HG2 GLN B 4 2.042 7.332 -8.197 1.00 0.00 H new ATOM 0 HG3 GLN B 4 2.633 8.748 -9.042 1.00 0.00 H new ATOM 0 HE21 GLN B 4 0.819 5.668 -9.488 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -0.011 6.184 -10.960 1.00 0.00 H new ATOM 380 N HIS B 5 3.930 7.504 -6.177 1.00 0.00 N ATOM 381 CA HIS B 5 3.602 7.222 -4.773 1.00 0.00 C ATOM 382 C HIS B 5 2.510 6.147 -4.602 1.00 0.00 C ATOM 383 O HIS B 5 1.627 6.002 -5.451 1.00 0.00 O ATOM 384 CB HIS B 5 3.171 8.539 -4.100 1.00 0.00 C ATOM 385 CG HIS B 5 4.094 9.708 -4.362 1.00 0.00 C ATOM 386 ND1 HIS B 5 4.160 10.433 -5.559 1.00 0.00 N ATOM 387 CD2 HIS B 5 5.013 10.218 -3.493 1.00 0.00 C ATOM 388 CE1 HIS B 5 5.117 11.358 -5.379 1.00 0.00 C ATOM 389 NE2 HIS B 5 5.639 11.259 -4.144 1.00 0.00 N ATOM 0 H HIS B 5 3.677 8.454 -6.450 1.00 0.00 H new ATOM 0 HA HIS B 5 4.494 6.814 -4.297 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.170 8.798 -4.445 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.105 8.378 -3.024 1.00 0.00 H new ATOM 0 HD2 HIS B 5 5.212 9.873 -2.489 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.424 12.080 -6.122 1.00 0.00 H new ATOM 0 HE2 HIS B 5 6.372 11.852 -3.756 1.00 0.00 H new ATOM 397 N LEU B 6 2.544 5.430 -3.474 1.00 0.00 N ATOM 398 CA LEU B 6 1.565 4.413 -3.073 1.00 0.00 C ATOM 399 C LEU B 6 0.754 4.908 -1.860 1.00 0.00 C ATOM 400 O LEU B 6 1.184 4.789 -0.710 1.00 0.00 O ATOM 401 CB LEU B 6 2.259 3.067 -2.765 1.00 0.00 C ATOM 402 CG LEU B 6 2.964 2.287 -3.893 1.00 0.00 C ATOM 403 CD1 LEU B 6 2.136 2.206 -5.176 1.00 0.00 C ATOM 404 CD2 LEU B 6 4.353 2.833 -4.215 1.00 0.00 C ATOM 0 H LEU B 6 3.287 5.547 -2.785 1.00 0.00 H new ATOM 0 HA LEU B 6 0.879 4.246 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.000 3.255 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.507 2.406 -2.335 1.00 0.00 H new ATOM 0 HG LEU B 6 3.075 1.278 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.688 1.645 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.191 1.703 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.938 3.212 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.799 2.244 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.271 3.873 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.982 2.773 -3.327 1.00 0.00 H new ATOM 416 N CYS B 7 -0.426 5.463 -2.128 1.00 0.00 N ATOM 417 CA CYS B 7 -1.388 5.939 -1.127 1.00 0.00 C ATOM 418 C CYS B 7 -2.467 4.880 -0.806 1.00 0.00 C ATOM 419 O CYS B 7 -2.334 3.714 -1.186 1.00 0.00 O ATOM 420 CB CYS B 7 -1.961 7.270 -1.640 1.00 0.00 C ATOM 421 SG CYS B 7 -0.732 8.585 -1.896 1.00 0.00 S ATOM 0 H CYS B 7 -0.754 5.600 -3.084 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.896 6.109 -0.169 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.478 7.087 -2.582 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.708 7.625 -0.930 1.00 0.00 H new ATOM 426 N GLY B 8 -3.530 5.260 -0.085 1.00 0.00 N ATOM 427 CA GLY B 8 -4.636 4.363 0.286 1.00 0.00 C ATOM 428 C GLY B 8 -5.235 3.607 -0.911 1.00 0.00 C ATOM 429 O GLY B 8 -5.399 4.172 -1.996 1.00 0.00 O ATOM 0 H GLY B 8 -3.649 6.212 0.262 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.278 3.641 1.020 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.421 4.946 0.768 1.00 0.00 H new ATOM 433 N SER B 9 -5.521 2.315 -0.718 1.00 0.00 N ATOM 434 CA SER B 9 -5.855 1.300 -1.742 1.00 0.00 C ATOM 435 C SER B 9 -4.760 1.013 -2.785 1.00 0.00 C ATOM 436 O SER B 9 -4.520 -0.156 -3.092 1.00 0.00 O ATOM 437 CB SER B 9 -7.201 1.594 -2.423 1.00 0.00 C ATOM 438 OG SER B 9 -8.246 1.674 -1.462 1.00 0.00 O ATOM 0 H SER B 9 -5.528 1.916 0.221 1.00 0.00 H new ATOM 0 HA SER B 9 -5.937 0.377 -1.169 1.00 0.00 H new ATOM 0 HB2 SER B 9 -7.137 2.531 -2.976 1.00 0.00 H new ATOM 0 HB3 SER B 9 -7.426 0.811 -3.147 1.00 0.00 H new ATOM 0 HG SER B 9 -9.094 1.863 -1.916 1.00 0.00 H new ATOM 444 N HIS B 10 -4.031 2.018 -3.285 1.00 0.00 N ATOM 445 CA HIS B 10 -2.916 1.832 -4.232 1.00 0.00 C ATOM 446 C HIS B 10 -1.787 0.992 -3.622 1.00 0.00 C ATOM 447 O HIS B 10 -1.261 0.090 -4.271 1.00 0.00 O ATOM 448 CB HIS B 10 -2.354 3.194 -4.679 1.00 0.00 C ATOM 449 CG HIS B 10 -3.381 4.194 -5.148 1.00 0.00 C ATOM 450 ND1 HIS B 10 -3.477 5.514 -4.697 1.00 0.00 N ATOM 451 CD2 HIS B 10 -4.359 3.970 -6.073 1.00 0.00 C ATOM 452 CE1 HIS B 10 -4.519 6.052 -5.356 1.00 0.00 C ATOM 453 NE2 HIS B 10 -5.065 5.148 -6.188 1.00 0.00 N ATOM 0 H HIS B 10 -4.197 2.995 -3.043 1.00 0.00 H new ATOM 0 HA HIS B 10 -3.313 1.299 -5.095 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -1.800 3.630 -3.848 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -1.640 3.027 -5.485 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -4.543 3.051 -6.609 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -4.868 7.067 -5.234 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -5.865 5.307 -6.800 1.00 0.00 H new ATOM 461 N LEU B 11 -1.459 1.247 -2.352 1.00 0.00 N ATOM 462 CA LEU B 11 -0.480 0.495 -1.567 1.00 0.00 C ATOM 463 C LEU B 11 -0.921 -0.952 -1.314 1.00 0.00 C ATOM 464 O LEU B 11 -0.094 -1.859 -1.356 1.00 0.00 O ATOM 465 CB LEU B 11 -0.263 1.263 -0.249 1.00 0.00 C ATOM 466 CG LEU B 11 0.764 0.643 0.714 1.00 0.00 C ATOM 467 CD1 LEU B 11 2.164 0.528 0.111 1.00 0.00 C ATOM 468 CD2 LEU B 11 0.863 1.524 1.954 1.00 0.00 C ATOM 0 H LEU B 11 -1.884 2.010 -1.825 1.00 0.00 H new ATOM 0 HA LEU B 11 0.455 0.416 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.055 2.278 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.219 1.341 0.268 1.00 0.00 H new ATOM 0 HG LEU B 11 0.416 -0.364 0.944 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.839 0.083 0.842 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.127 -0.101 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.526 1.520 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.588 1.097 2.647 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.184 2.525 1.665 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.112 1.581 2.438 1.00 0.00 H new ATOM 480 N VAL B 12 -2.218 -1.183 -1.097 1.00 0.00 N ATOM 481 CA VAL B 12 -2.779 -2.529 -0.885 1.00 0.00 C ATOM 482 C VAL B 12 -2.657 -3.359 -2.166 1.00 0.00 C ATOM 483 O VAL B 12 -2.130 -4.473 -2.135 1.00 0.00 O ATOM 484 CB VAL B 12 -4.239 -2.447 -0.393 1.00 0.00 C ATOM 485 CG1 VAL B 12 -4.823 -3.836 -0.116 1.00 0.00 C ATOM 486 CG2 VAL B 12 -4.349 -1.631 0.904 1.00 0.00 C ATOM 0 H VAL B 12 -2.916 -0.440 -1.062 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.206 -3.030 -0.105 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.798 -1.961 -1.193 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.852 -3.736 0.228 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.803 -4.428 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.230 -4.333 0.652 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.391 -1.593 1.223 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.748 -2.102 1.682 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.986 -0.618 0.729 1.00 0.00 H new ATOM 496 N GLU B 13 -3.049 -2.795 -3.312 1.00 0.00 N ATOM 497 CA GLU B 13 -2.882 -3.435 -4.624 1.00 0.00 C ATOM 498 C GLU B 13 -1.400 -3.657 -4.975 1.00 0.00 C ATOM 499 O GLU B 13 -1.041 -4.725 -5.473 1.00 0.00 O ATOM 500 CB GLU B 13 -3.561 -2.586 -5.713 1.00 0.00 C ATOM 501 CG GLU B 13 -5.094 -2.562 -5.616 1.00 0.00 C ATOM 502 CD GLU B 13 -5.718 -3.932 -5.951 1.00 0.00 C ATOM 503 OE1 GLU B 13 -5.897 -4.243 -7.154 1.00 0.00 O1- ATOM 504 OE2 GLU B 13 -6.041 -4.704 -5.017 1.00 0.00 O ATOM 0 H GLU B 13 -3.493 -1.878 -3.358 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.356 -4.415 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.186 -1.564 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.274 -2.971 -6.692 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.389 -2.267 -4.609 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.488 -1.808 -6.298 1.00 0.00 H new ATOM 511 N ALA B 14 -0.522 -2.696 -4.662 1.00 0.00 N ATOM 512 CA ALA B 14 0.920 -2.826 -4.868 1.00 0.00 C ATOM 513 C ALA B 14 1.532 -3.954 -4.020 1.00 0.00 C ATOM 514 O ALA B 14 2.308 -4.754 -4.539 1.00 0.00 O ATOM 515 CB ALA B 14 1.590 -1.476 -4.587 1.00 0.00 C ATOM 0 H ALA B 14 -0.797 -1.802 -4.256 1.00 0.00 H new ATOM 0 HA ALA B 14 1.099 -3.106 -5.906 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.666 -1.565 -4.739 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.189 -0.723 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.392 -1.179 -3.557 1.00 0.00 H new ATOM 521 N LEU B 15 1.152 -4.081 -2.745 1.00 0.00 N ATOM 522 CA LEU B 15 1.652 -5.141 -1.863 1.00 0.00 C ATOM 523 C LEU B 15 1.209 -6.537 -2.320 1.00 0.00 C ATOM 524 O LEU B 15 2.034 -7.450 -2.332 1.00 0.00 O ATOM 525 CB LEU B 15 1.238 -4.840 -0.410 1.00 0.00 C ATOM 526 CG LEU B 15 2.073 -3.706 0.217 1.00 0.00 C ATOM 527 CD1 LEU B 15 1.438 -3.207 1.513 1.00 0.00 C ATOM 528 CD2 LEU B 15 3.482 -4.177 0.565 1.00 0.00 C ATOM 0 H LEU B 15 0.488 -3.451 -2.294 1.00 0.00 H new ATOM 0 HA LEU B 15 2.741 -5.151 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.183 -4.567 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.348 -5.743 0.191 1.00 0.00 H new ATOM 0 HG LEU B 15 2.111 -2.910 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.048 -2.408 1.933 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.437 -2.829 1.306 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.375 -4.028 2.227 1.00 0.00 H new ATOM 0 HD21 LEU B 15 4.043 -3.352 1.005 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.425 -4.999 1.279 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.986 -4.517 -0.340 1.00 0.00 H new ATOM 540 N TYR B 16 -0.030 -6.699 -2.798 1.00 0.00 N ATOM 541 CA TYR B 16 -0.496 -7.967 -3.380 1.00 0.00 C ATOM 542 C TYR B 16 0.207 -8.353 -4.702 1.00 0.00 C ATOM 543 O TYR B 16 0.175 -9.524 -5.088 1.00 0.00 O ATOM 544 CB TYR B 16 -2.027 -7.941 -3.542 1.00 0.00 C ATOM 545 CG TYR B 16 -2.790 -8.154 -2.244 1.00 0.00 C ATOM 546 CD1 TYR B 16 -2.562 -9.323 -1.493 1.00 0.00 C ATOM 547 CD2 TYR B 16 -3.736 -7.213 -1.794 1.00 0.00 C ATOM 548 CE1 TYR B 16 -3.234 -9.535 -0.276 1.00 0.00 C ATOM 549 CE2 TYR B 16 -4.423 -7.427 -0.582 1.00 0.00 C ATOM 550 CZ TYR B 16 -4.167 -8.583 0.187 1.00 0.00 C ATOM 551 OH TYR B 16 -4.830 -8.774 1.362 1.00 0.00 O ATOM 0 H TYR B 16 -0.735 -5.962 -2.794 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.218 -8.752 -2.676 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.320 -6.983 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.320 -8.712 -4.254 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -1.864 -10.064 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.935 -6.327 -2.378 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.036 -10.425 0.303 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -5.148 -6.704 -0.240 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.432 -8.018 1.525 1.00 0.00 H new ATOM 561 N LEU B 17 0.876 -7.409 -5.382 1.00 0.00 N ATOM 562 CA LEU B 17 1.726 -7.671 -6.553 1.00 0.00 C ATOM 563 C LEU B 17 3.193 -7.943 -6.165 1.00 0.00 C ATOM 564 O LEU B 17 3.809 -8.873 -6.688 1.00 0.00 O ATOM 565 CB LEU B 17 1.623 -6.485 -7.534 1.00 0.00 C ATOM 566 CG LEU B 17 0.253 -6.338 -8.226 1.00 0.00 C ATOM 567 CD1 LEU B 17 0.187 -4.995 -8.955 1.00 0.00 C ATOM 568 CD2 LEU B 17 0.002 -7.449 -9.249 1.00 0.00 C ATOM 0 H LEU B 17 0.840 -6.422 -5.128 1.00 0.00 H new ATOM 0 HA LEU B 17 1.365 -8.578 -7.038 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.842 -5.564 -6.994 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.391 -6.596 -8.299 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.508 -6.402 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -0.782 -4.893 -9.443 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.319 -4.185 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.977 -4.948 -9.704 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.975 -7.304 -9.711 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.775 -7.418 -10.017 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.027 -8.417 -8.748 1.00 0.00 H new ATOM 580 N VAL B 18 3.751 -7.155 -5.241 1.00 0.00 N ATOM 581 CA VAL B 18 5.172 -7.201 -4.835 1.00 0.00 C ATOM 582 C VAL B 18 5.488 -8.402 -3.946 1.00 0.00 C ATOM 583 O VAL B 18 6.532 -9.035 -4.107 1.00 0.00 O ATOM 584 CB VAL B 18 5.553 -5.883 -4.129 1.00 0.00 C ATOM 585 CG1 VAL B 18 6.939 -5.891 -3.476 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.554 -4.742 -5.145 1.00 0.00 C ATOM 0 H VAL B 18 3.218 -6.446 -4.737 1.00 0.00 H new ATOM 0 HA VAL B 18 5.771 -7.318 -5.738 1.00 0.00 H new ATOM 0 HB VAL B 18 4.809 -5.756 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.124 -4.926 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.982 -6.678 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.698 -6.074 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.823 -3.811 -4.646 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.279 -4.955 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.561 -4.645 -5.584 1.00 0.00 H new ATOM 596 N CYS B 19 4.588 -8.738 -3.020 1.00 0.00 N ATOM 597 CA CYS B 19 4.818 -9.765 -1.999 1.00 0.00 C ATOM 598 C CYS B 19 4.474 -11.205 -2.430 1.00 0.00 C ATOM 599 O CYS B 19 4.584 -12.121 -1.613 1.00 0.00 O ATOM 600 CB CYS B 19 4.109 -9.364 -0.703 1.00 0.00 C ATOM 601 SG CYS B 19 4.686 -7.810 0.024 1.00 0.00 S ATOM 0 H CYS B 19 3.669 -8.301 -2.956 1.00 0.00 H new ATOM 0 HA CYS B 19 5.895 -9.801 -1.834 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.040 -9.283 -0.900 1.00 0.00 H new ATOM 0 HB3 CYS B 19 4.239 -10.162 0.028 1.00 0.00 H new ATOM 606 N GLY B 20 4.104 -11.457 -3.691 1.00 0.00 N ATOM 607 CA GLY B 20 3.974 -12.827 -4.205 1.00 0.00 C ATOM 608 C GLY B 20 5.338 -13.548 -4.217 1.00 0.00 C ATOM 609 O GLY B 20 6.315 -12.992 -4.717 1.00 0.00 O ATOM 0 H GLY B 20 3.889 -10.731 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.270 -13.385 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.563 -12.803 -5.214 1.00 0.00 H new ATOM 613 N GLU B 21 5.510 -14.760 -3.680 1.00 0.00 N ATOM 614 CA GLU B 21 4.530 -15.711 -3.113 1.00 0.00 C ATOM 615 C GLU B 21 4.648 -15.892 -1.577 1.00 0.00 C ATOM 616 O GLU B 21 4.364 -16.965 -1.039 1.00 0.00 O ATOM 617 CB GLU B 21 4.599 -17.037 -3.902 1.00 0.00 C ATOM 618 CG GLU B 21 5.958 -17.754 -3.825 1.00 0.00 C ATOM 619 CD GLU B 21 5.928 -19.074 -4.620 1.00 0.00 C ATOM 620 OE1 GLU B 21 6.221 -19.062 -5.841 1.00 0.00 O ATOM 621 OE2 GLU B 21 5.619 -20.141 -4.031 1.00 0.00 O1- ATOM 0 H GLU B 21 6.450 -15.151 -3.623 1.00 0.00 H new ATOM 0 HA GLU B 21 3.533 -15.288 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.826 -17.709 -3.528 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.367 -16.836 -4.948 1.00 0.00 H new ATOM 0 HG2 GLU B 21 6.739 -17.105 -4.220 1.00 0.00 H new ATOM 0 HG3 GLU B 21 6.208 -17.957 -2.784 1.00 0.00 H new ATOM 628 N ARG B 22 5.062 -14.841 -0.850 1.00 0.00 N ATOM 629 CA ARG B 22 5.260 -14.832 0.619 1.00 0.00 C ATOM 630 C ARG B 22 3.969 -15.091 1.417 1.00 0.00 C ATOM 631 O ARG B 22 4.036 -15.571 2.549 1.00 0.00 O ATOM 632 CB ARG B 22 5.905 -13.483 1.007 1.00 0.00 C ATOM 633 CG ARG B 22 6.288 -13.297 2.484 1.00 0.00 C ATOM 634 CD ARG B 22 7.296 -14.333 2.993 1.00 0.00 C ATOM 635 NE ARG B 22 7.621 -14.097 4.414 1.00 0.00 N ATOM 636 CZ ARG B 22 8.480 -14.784 5.148 1.00 0.00 C ATOM 637 NH1 ARG B 22 9.206 -15.746 4.649 1.00 0.00 N1+ ATOM 638 NH2 ARG B 22 8.627 -14.517 6.413 1.00 0.00 N ATOM 0 H ARG B 22 5.277 -13.941 -1.278 1.00 0.00 H new ATOM 0 HA ARG B 22 5.917 -15.661 0.882 1.00 0.00 H new ATOM 0 HB2 ARG B 22 6.803 -13.350 0.404 1.00 0.00 H new ATOM 0 HB3 ARG B 22 5.215 -12.685 0.732 1.00 0.00 H new ATOM 0 HG2 ARG B 22 6.706 -12.299 2.619 1.00 0.00 H new ATOM 0 HG3 ARG B 22 5.386 -13.350 3.094 1.00 0.00 H new ATOM 0 HD2 ARG B 22 6.886 -15.336 2.871 1.00 0.00 H new ATOM 0 HD3 ARG B 22 8.206 -14.286 2.395 1.00 0.00 H new ATOM 0 HE ARG B 22 7.135 -13.328 4.875 1.00 0.00 H new ATOM 0 HH11 ARG B 22 9.121 -15.990 3.662 1.00 0.00 H new ATOM 0 HH12 ARG B 22 9.859 -16.255 5.246 1.00 0.00 H new ATOM 0 HH21 ARG B 22 8.078 -13.774 6.845 1.00 0.00 H new ATOM 0 HH22 ARG B 22 9.291 -15.051 6.973 1.00 0.00 H new ATOM 652 N GLY B 23 2.807 -14.799 0.827 1.00 0.00 N ATOM 653 CA GLY B 23 1.474 -15.065 1.392 1.00 0.00 C ATOM 654 C GLY B 23 0.704 -13.824 1.864 1.00 0.00 C ATOM 655 O GLY B 23 -0.461 -13.946 2.250 1.00 0.00 O ATOM 0 H GLY B 23 2.763 -14.355 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY B 23 0.875 -15.580 0.641 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.584 -15.747 2.235 1.00 0.00 H new HETATM 659 N DHI B 24 1.311 -12.632 1.801 1.00 0.00 N HETATM 660 CA DHI B 24 0.641 -11.335 2.008 1.00 0.00 C HETATM 661 C DHI B 24 1.244 -10.542 3.176 1.00 0.00 C HETATM 662 O DHI B 24 2.432 -10.672 3.481 1.00 0.00 O HETATM 663 CB DHI B 24 0.699 -10.500 0.717 1.00 0.00 C HETATM 664 CG DHI B 24 0.410 -11.242 -0.571 1.00 0.00 C HETATM 665 ND1 DHI B 24 1.113 -11.070 -1.767 1.00 0.00 N HETATM 666 CD2 DHI B 24 -0.572 -12.171 -0.773 1.00 0.00 C HETATM 667 CE1 DHI B 24 0.541 -11.892 -2.660 1.00 0.00 C HETATM 668 NE2 DHI B 24 -0.470 -12.569 -2.089 1.00 0.00 N HETATM 0 HE2 DHI B 24 -1.061 -13.260 -2.551 1.00 0.00 H new HETATM 0 HE1 DHI B 24 0.852 -11.996 -3.700 1.00 0.00 H new HETATM 0 HD2 DHI B 24 -1.294 -12.527 -0.038 1.00 0.00 H new HETATM 0 HD1 DHI B 24 1.903 -10.445 -1.928 1.00 0.00 H new HETATM 0 HB3 DHI B 24 -0.013 -9.679 0.807 1.00 0.00 H new HETATM 0 HB2 DHI B 24 1.691 -10.055 0.641 1.00 0.00 H new HETATM 0 HA DHI B 24 -0.397 -11.546 2.265 1.00 0.00 H new ATOM 676 N PHE B 25 0.433 -9.686 3.805 1.00 0.00 N ATOM 677 CA PHE B 25 0.850 -8.799 4.899 1.00 0.00 C ATOM 678 C PHE B 25 1.464 -9.552 6.093 1.00 0.00 C ATOM 679 O PHE B 25 0.958 -10.592 6.525 1.00 0.00 O ATOM 680 CB PHE B 25 -0.355 -7.981 5.394 1.00 0.00 C ATOM 681 CG PHE B 25 -0.795 -6.849 4.485 1.00 0.00 C ATOM 682 CD1 PHE B 25 -1.767 -7.063 3.489 1.00 0.00 C ATOM 683 CD2 PHE B 25 -0.260 -5.559 4.672 1.00 0.00 C ATOM 684 CE1 PHE B 25 -2.193 -5.996 2.677 1.00 0.00 C ATOM 685 CE2 PHE B 25 -0.698 -4.491 3.870 1.00 0.00 C ATOM 686 CZ PHE B 25 -1.659 -4.709 2.868 1.00 0.00 C ATOM 0 H PHE B 25 -0.553 -9.587 3.564 1.00 0.00 H new ATOM 0 HA PHE B 25 1.624 -8.149 4.491 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -1.198 -8.658 5.536 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -0.112 -7.565 6.372 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -2.186 -8.048 3.348 1.00 0.00 H new ATOM 0 HD2 PHE B 25 0.488 -5.391 5.433 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -2.931 -6.165 1.906 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -0.295 -3.501 4.024 1.00 0.00 H new ATOM 0 HZ PHE B 25 -1.987 -3.890 2.246 1.00 0.00 H new ATOM 696 N TYR B 26 2.513 -8.963 6.672 1.00 0.00 N ATOM 697 CA TYR B 26 3.083 -9.330 7.975 1.00 0.00 C ATOM 698 C TYR B 26 2.847 -8.228 9.025 1.00 0.00 C ATOM 699 O TYR B 26 2.568 -8.527 10.187 1.00 0.00 O ATOM 700 CB TYR B 26 4.575 -9.628 7.793 1.00 0.00 C ATOM 701 CG TYR B 26 5.276 -9.943 9.094 1.00 0.00 C ATOM 702 CD1 TYR B 26 5.166 -11.226 9.660 1.00 0.00 C ATOM 703 CD2 TYR B 26 5.980 -8.929 9.771 1.00 0.00 C ATOM 704 CE1 TYR B 26 5.757 -11.496 10.908 1.00 0.00 C ATOM 705 CE2 TYR B 26 6.568 -9.195 11.020 1.00 0.00 C ATOM 706 CZ TYR B 26 6.461 -10.480 11.594 1.00 0.00 C ATOM 707 OH TYR B 26 7.032 -10.729 12.805 1.00 0.00 O ATOM 0 H TYR B 26 3.009 -8.188 6.231 1.00 0.00 H new ATOM 0 HA TYR B 26 2.582 -10.222 8.350 1.00 0.00 H new ATOM 0 HB2 TYR B 26 4.691 -10.470 7.111 1.00 0.00 H new ATOM 0 HB3 TYR B 26 5.057 -8.770 7.325 1.00 0.00 H new ATOM 0 HD1 TYR B 26 4.628 -12.003 9.137 1.00 0.00 H new ATOM 0 HD2 TYR B 26 6.068 -7.947 9.331 1.00 0.00 H new ATOM 0 HE1 TYR B 26 5.673 -12.481 11.343 1.00 0.00 H new ATOM 0 HE2 TYR B 26 7.103 -8.415 11.541 1.00 0.00 H new ATOM 0 HH TYR B 26 7.476 -9.918 13.131 1.00 0.00 H new ATOM 717 N THR B 27 2.899 -6.959 8.598 1.00 0.00 N ATOM 718 CA THR B 27 2.597 -5.760 9.405 1.00 0.00 C ATOM 719 C THR B 27 3.534 -5.633 10.624 1.00 0.00 C ATOM 720 O THR B 27 3.110 -5.809 11.769 1.00 0.00 O ATOM 721 CB THR B 27 1.094 -5.685 9.763 1.00 0.00 C ATOM 722 OG1 THR B 27 0.302 -5.985 8.630 1.00 0.00 O ATOM 723 CG2 THR B 27 0.672 -4.290 10.229 1.00 0.00 C ATOM 0 H THR B 27 3.163 -6.726 7.641 1.00 0.00 H new ATOM 0 HA THR B 27 2.803 -4.882 8.793 1.00 0.00 H new ATOM 0 HB THR B 27 0.944 -6.405 10.568 1.00 0.00 H new ATOM 0 HG1 THR B 27 -0.172 -5.178 8.339 1.00 0.00 H new ATOM 0 HG21 THR B 27 -0.392 -4.292 10.468 1.00 0.00 H new ATOM 0 HG22 THR B 27 1.242 -4.015 11.116 1.00 0.00 H new ATOM 0 HG23 THR B 27 0.864 -3.568 9.436 1.00 0.00 H new ATOM 731 N PRO B 28 4.835 -5.332 10.404 1.00 0.00 N ATOM 732 CA PRO B 28 5.869 -5.376 11.447 1.00 0.00 C ATOM 733 C PRO B 28 5.731 -4.292 12.534 1.00 0.00 C ATOM 734 O PRO B 28 6.352 -4.403 13.593 1.00 0.00 O ATOM 735 CB PRO B 28 7.200 -5.244 10.694 1.00 0.00 C ATOM 736 CG PRO B 28 6.826 -4.437 9.453 1.00 0.00 C ATOM 737 CD PRO B 28 5.434 -4.967 9.124 1.00 0.00 C ATOM 0 HA PRO B 28 5.785 -6.306 12.009 1.00 0.00 H new ATOM 0 HB2 PRO B 28 7.952 -4.732 11.294 1.00 0.00 H new ATOM 0 HB3 PRO B 28 7.611 -6.219 10.431 1.00 0.00 H new ATOM 0 HG2 PRO B 28 6.816 -3.366 9.653 1.00 0.00 H new ATOM 0 HG3 PRO B 28 7.527 -4.602 8.635 1.00 0.00 H new ATOM 0 HD2 PRO B 28 4.838 -4.210 8.615 1.00 0.00 H new ATOM 0 HD3 PRO B 28 5.491 -5.829 8.459 1.00 0.00 H new ATOM 745 N LYS B 29 4.909 -3.256 12.302 1.00 0.00 N ATOM 746 CA LYS B 29 4.678 -2.127 13.229 1.00 0.00 C ATOM 747 C LYS B 29 3.636 -2.401 14.333 1.00 0.00 C ATOM 748 O LYS B 29 3.312 -1.502 15.112 1.00 0.00 O ATOM 749 CB LYS B 29 4.357 -0.851 12.429 1.00 0.00 C ATOM 750 CG LYS B 29 5.459 -0.464 11.424 1.00 0.00 C ATOM 751 CD LYS B 29 5.129 0.839 10.679 1.00 0.00 C ATOM 752 CE LYS B 29 5.249 2.095 11.560 1.00 0.00 C ATOM 753 NZ LYS B 29 6.647 2.595 11.624 1.00 0.00 N1+ ATOM 0 H LYS B 29 4.369 -3.175 11.440 1.00 0.00 H new ATOM 0 HA LYS B 29 5.608 -1.983 13.779 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.420 -0.995 11.891 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.203 -0.025 13.123 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.406 -0.350 11.951 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.591 -1.270 10.703 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.798 0.939 9.824 1.00 0.00 H new ATOM 0 HD3 LYS B 29 4.115 0.776 10.285 1.00 0.00 H new ATOM 0 HE2 LYS B 29 4.601 2.878 11.166 1.00 0.00 H new ATOM 0 HE3 LYS B 29 4.898 1.867 12.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 6.715 3.344 12.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 7.284 1.813 11.878 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 6.921 2.978 10.697 1.00 0.00 H new ATOM 767 N THR B 30 3.154 -3.644 14.399 1.00 0.00 N ATOM 768 CA THR B 30 2.146 -4.204 15.334 1.00 0.00 C ATOM 769 C THR B 30 0.882 -3.336 15.463 1.00 0.00 C ATOM 770 O THR B 30 0.717 -2.591 16.456 1.00 0.00 O ATOM 771 CB THR B 30 2.769 -4.570 16.692 1.00 0.00 C ATOM 772 OG1 THR B 30 3.949 -5.324 16.484 1.00 0.00 O ATOM 773 CG2 THR B 30 1.846 -5.450 17.543 1.00 0.00 C ATOM 774 OXT THR B 30 0.034 -3.418 14.546 1.00 0.00 O1- ATOM 0 H THR B 30 3.481 -4.356 13.746 1.00 0.00 H new ATOM 0 HA THR B 30 1.798 -5.136 14.888 1.00 0.00 H new ATOM 0 HB THR B 30 2.957 -3.628 17.207 1.00 0.00 H new ATOM 0 HG1 THR B 30 4.346 -5.555 17.350 1.00 0.00 H new ATOM 0 HG21 THR B 30 2.334 -5.679 18.490 1.00 0.00 H new ATOM 0 HG22 THR B 30 0.913 -4.920 17.734 1.00 0.00 H new ATOM 0 HG23 THR B 30 1.634 -6.377 17.010 1.00 0.00 H new TER 782 THR B 30