USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 385 hydrogens (10 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 20 DAL H2 : B 20 DAL N : B 19 CYS C :(H bumps) USER MOD NoAdj-H: B 23 DAL H2 : B 23 DAL N : B 22 ARG C :(H bumps) USER MOD NoAdj-H: B 23 DAL H : B 23 DAL N : B 22 ARG C :(H bumps) USER MOD Set 1.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 27 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -33:sc= 0.148 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0786 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.35 K(o=-0.35,f=-3.4!) USER MOD Single : A 19 TYR OH : rot 100:sc= -1.12 USER MOD Single : A 21 ASN : amide:sc= -0.0845 X(o=-0.085,f=-0.13) USER MOD Single : B 1 PHE N :NH3+ 158:sc= 0.0153 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.603 K(o=-0.6,f=-3.9!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -1.8 F(o=-4.4!,f=-1.8) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HE2:sc= 0.224 F(o=-2.3!,f=0.22) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 15:sc= -4.43! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -59:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.237 3.277 1.472 1.00 0.00 N ATOM 2 CA GLY A 1 -8.257 3.185 2.642 1.00 0.00 C ATOM 3 C GLY A 1 -7.128 4.156 2.731 1.00 0.00 C ATOM 4 O GLY A 1 -7.310 5.300 3.099 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.957 2.532 1.563 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.700 4.208 1.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.722 3.154 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.836 3.272 3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.827 2.184 2.630 1.00 0.00 H new ATOM 10 N ILE A 2 -5.941 3.733 2.396 1.00 0.00 N ATOM 11 CA ILE A 2 -4.773 4.658 2.462 1.00 0.00 C ATOM 12 C ILE A 2 -4.588 5.346 1.107 1.00 0.00 C ATOM 13 O ILE A 2 -3.666 6.111 0.909 1.00 0.00 O ATOM 14 CB ILE A 2 -3.514 3.860 2.802 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.372 4.828 3.120 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.124 2.986 1.609 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.129 4.032 3.523 1.00 0.00 C ATOM 0 H ILE A 2 -5.728 2.787 2.079 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.948 5.411 3.230 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.707 3.225 3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.154 5.449 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.664 5.500 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.226 2.418 1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.938 2.298 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.929 3.618 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.314 4.720 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.352 3.430 4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.834 3.378 2.702 1.00 0.00 H new ATOM 29 N VAL A 3 -5.460 5.080 0.173 1.00 0.00 N ATOM 30 CA VAL A 3 -5.343 5.713 -1.165 1.00 0.00 C ATOM 31 C VAL A 3 -5.037 7.204 -1.011 1.00 0.00 C ATOM 32 O VAL A 3 -4.216 7.756 -1.716 1.00 0.00 O ATOM 33 CB VAL A 3 -6.664 5.537 -1.910 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.598 6.278 -3.241 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.912 4.049 -2.169 1.00 0.00 C ATOM 0 H VAL A 3 -6.252 4.447 0.283 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.534 5.242 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.477 5.941 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.541 6.153 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.422 7.338 -3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.784 5.873 -3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.855 3.925 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.099 3.644 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.958 3.517 -1.219 1.00 0.00 H new ATOM 45 N GLU A 4 -5.694 7.864 -0.096 1.00 0.00 N ATOM 46 CA GLU A 4 -5.445 9.320 0.099 1.00 0.00 C ATOM 47 C GLU A 4 -3.990 9.547 0.516 1.00 0.00 C ATOM 48 O GLU A 4 -3.484 10.649 0.459 1.00 0.00 O ATOM 49 CB GLU A 4 -6.376 9.855 1.190 1.00 0.00 C ATOM 50 CG GLU A 4 -7.542 10.606 0.545 1.00 0.00 C ATOM 51 CD GLU A 4 -8.787 9.716 0.543 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.249 9.376 1.620 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.256 9.388 -0.534 1.00 0.00 O ATOM 0 H GLU A 4 -6.393 7.457 0.525 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.637 9.845 -0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.752 9.032 1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.827 10.519 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.742 11.527 1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.285 10.891 -0.475 1.00 0.00 H new ATOM 60 N GLN A 5 -3.312 8.515 0.941 1.00 0.00 N ATOM 61 CA GLN A 5 -1.892 8.683 1.363 1.00 0.00 C ATOM 62 C GLN A 5 -0.957 8.101 0.298 1.00 0.00 C ATOM 63 O GLN A 5 0.107 8.626 0.040 1.00 0.00 O ATOM 64 CB GLN A 5 -1.665 7.959 2.692 1.00 0.00 C ATOM 65 CG GLN A 5 -0.761 8.808 3.588 1.00 0.00 C ATOM 66 CD GLN A 5 -1.317 8.818 5.014 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.204 7.842 5.728 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.917 9.888 5.460 1.00 0.00 N ATOM 0 H GLN A 5 -3.679 7.566 1.014 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.679 9.745 1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.619 7.778 3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.208 6.985 2.515 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.252 8.407 3.585 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.702 9.826 3.203 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.012 10.707 4.860 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.291 9.905 6.409 1.00 0.00 H new ATOM 77 N CYS A 6 -1.338 7.012 -0.314 1.00 0.00 N ATOM 78 CA CYS A 6 -0.462 6.392 -1.349 1.00 0.00 C ATOM 79 C CYS A 6 -0.764 6.993 -2.726 1.00 0.00 C ATOM 80 O CYS A 6 -0.057 6.747 -3.682 1.00 0.00 O ATOM 81 CB CYS A 6 -0.709 4.883 -1.391 1.00 0.00 C ATOM 82 SG CYS A 6 -0.342 4.157 0.229 1.00 0.00 S ATOM 0 H CYS A 6 -2.218 6.525 -0.142 1.00 0.00 H new ATOM 0 HA CYS A 6 0.579 6.588 -1.094 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.745 4.682 -1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.083 4.424 -2.156 1.00 0.00 H new ATOM 87 N CYS A 7 -1.802 7.774 -2.840 1.00 0.00 N ATOM 88 CA CYS A 7 -2.130 8.375 -4.165 1.00 0.00 C ATOM 89 C CYS A 7 -1.731 9.853 -4.180 1.00 0.00 C ATOM 90 O CYS A 7 -1.295 10.377 -5.185 1.00 0.00 O ATOM 91 CB CYS A 7 -3.631 8.246 -4.428 1.00 0.00 C ATOM 92 SG CYS A 7 -4.018 8.895 -6.076 1.00 0.00 S ATOM 0 H CYS A 7 -2.434 8.022 -2.079 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.578 7.848 -4.944 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.934 7.201 -4.357 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.192 8.793 -3.670 1.00 0.00 H new ATOM 97 N THR A 8 -1.876 10.532 -3.076 1.00 0.00 N ATOM 98 CA THR A 8 -1.501 11.974 -3.038 1.00 0.00 C ATOM 99 C THR A 8 -0.345 12.181 -2.056 1.00 0.00 C ATOM 100 O THR A 8 0.165 13.273 -1.906 1.00 0.00 O ATOM 101 CB THR A 8 -2.708 12.808 -2.594 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.458 14.180 -2.862 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.940 12.613 -1.097 1.00 0.00 C ATOM 0 H THR A 8 -2.237 10.152 -2.201 1.00 0.00 H new ATOM 0 HA THR A 8 -1.189 12.291 -4.033 1.00 0.00 H new ATOM 0 HB THR A 8 -3.594 12.487 -3.142 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.501 14.364 -2.759 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.798 13.206 -0.782 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.132 11.560 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.055 12.934 -0.547 1.00 0.00 H new ATOM 111 N SER A 9 0.074 11.141 -1.390 1.00 0.00 N ATOM 112 CA SER A 9 1.197 11.280 -0.423 1.00 0.00 C ATOM 113 C SER A 9 2.186 10.134 -0.626 1.00 0.00 C ATOM 114 O SER A 9 2.122 9.408 -1.598 1.00 0.00 O ATOM 115 CB SER A 9 0.650 11.234 1.005 1.00 0.00 C ATOM 116 OG SER A 9 1.304 12.221 1.791 1.00 0.00 O ATOM 0 H SER A 9 -0.313 10.201 -1.474 1.00 0.00 H new ATOM 0 HA SER A 9 1.703 12.231 -0.587 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.426 11.410 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.809 10.245 1.436 1.00 0.00 H new ATOM 0 HG SER A 9 0.954 12.195 2.706 1.00 0.00 H new ATOM 122 N ILE A 10 3.101 9.965 0.285 1.00 0.00 N ATOM 123 CA ILE A 10 4.096 8.870 0.151 1.00 0.00 C ATOM 124 C ILE A 10 3.683 7.695 1.036 1.00 0.00 C ATOM 125 O ILE A 10 3.007 7.862 2.032 1.00 0.00 O ATOM 126 CB ILE A 10 5.466 9.381 0.590 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.783 10.683 -0.146 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.527 8.336 0.259 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.115 11.854 0.577 1.00 0.00 C ATOM 0 H ILE A 10 3.202 10.542 1.120 1.00 0.00 H new ATOM 0 HA ILE A 10 4.142 8.542 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 10 5.460 9.564 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.861 10.836 -0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.428 10.627 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.506 8.700 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.300 7.408 0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.535 8.153 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.341 12.782 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.036 11.702 0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.491 11.914 1.598 1.00 0.00 H new ATOM 141 N CYS A 11 4.087 6.506 0.685 1.00 0.00 N ATOM 142 CA CYS A 11 3.719 5.322 1.508 1.00 0.00 C ATOM 143 C CYS A 11 4.945 4.422 1.677 1.00 0.00 C ATOM 144 O CYS A 11 5.566 4.019 0.714 1.00 0.00 O ATOM 145 CB CYS A 11 2.605 4.541 0.808 1.00 0.00 C ATOM 146 SG CYS A 11 1.028 5.396 1.047 1.00 0.00 S ATOM 0 H CYS A 11 4.656 6.304 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 11 3.371 5.651 2.487 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.824 4.449 -0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.547 3.529 1.210 1.00 0.00 H new ATOM 151 N SER A 12 5.295 4.101 2.891 1.00 0.00 N ATOM 152 CA SER A 12 6.479 3.225 3.116 1.00 0.00 C ATOM 153 C SER A 12 6.076 1.769 2.879 1.00 0.00 C ATOM 154 O SER A 12 5.169 1.258 3.506 1.00 0.00 O ATOM 155 CB SER A 12 6.974 3.393 4.554 1.00 0.00 C ATOM 156 OG SER A 12 5.897 3.821 5.376 1.00 0.00 O ATOM 0 H SER A 12 4.813 4.407 3.736 1.00 0.00 H new ATOM 0 HA SER A 12 7.277 3.501 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.376 2.450 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.784 4.121 4.589 1.00 0.00 H new ATOM 0 HG SER A 12 6.212 3.928 6.298 1.00 0.00 H new ATOM 162 N LEU A 13 6.735 1.099 1.972 1.00 0.00 N ATOM 163 CA LEU A 13 6.381 -0.321 1.692 1.00 0.00 C ATOM 164 C LEU A 13 6.139 -1.057 3.008 1.00 0.00 C ATOM 165 O LEU A 13 5.342 -1.971 3.082 1.00 0.00 O ATOM 166 CB LEU A 13 7.522 -0.998 0.930 1.00 0.00 C ATOM 167 CG LEU A 13 8.813 -0.886 1.740 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.218 -2.270 2.251 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.923 -0.329 0.848 1.00 0.00 C ATOM 0 H LEU A 13 7.502 1.474 1.414 1.00 0.00 H new ATOM 0 HA LEU A 13 5.475 -0.352 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.282 -2.046 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.650 -0.529 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 13 8.654 -0.219 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.139 -2.189 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.426 -2.670 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.378 -2.938 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.845 -0.248 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.080 -0.998 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.636 0.657 0.482 1.00 0.00 H new ATOM 181 N TYR A 14 6.813 -0.663 4.051 1.00 0.00 N ATOM 182 CA TYR A 14 6.607 -1.340 5.359 1.00 0.00 C ATOM 183 C TYR A 14 5.112 -1.345 5.684 1.00 0.00 C ATOM 184 O TYR A 14 4.514 -2.383 5.891 1.00 0.00 O ATOM 185 CB TYR A 14 7.367 -0.584 6.450 1.00 0.00 C ATOM 186 CG TYR A 14 7.865 -1.564 7.486 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.008 -2.552 7.984 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.187 -1.483 7.948 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.470 -3.462 8.944 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.649 -2.393 8.908 1.00 0.00 C ATOM 191 CZ TYR A 14 8.791 -3.382 9.406 1.00 0.00 C ATOM 192 OH TYR A 14 9.247 -4.278 10.351 1.00 0.00 O ATOM 0 H TYR A 14 7.495 0.096 4.054 1.00 0.00 H new ATOM 0 HA TYR A 14 6.977 -2.364 5.309 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.206 -0.041 6.015 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.716 0.155 6.916 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.990 -2.613 7.628 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.848 -0.720 7.564 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.809 -4.225 9.328 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.667 -2.332 9.264 1.00 0.00 H new ATOM 0 HH TYR A 14 10.184 -4.084 10.560 1.00 0.00 H new ATOM 202 N GLN A 15 4.501 -0.192 5.714 1.00 0.00 N ATOM 203 CA GLN A 15 3.045 -0.131 6.014 1.00 0.00 C ATOM 204 C GLN A 15 2.282 -0.882 4.926 1.00 0.00 C ATOM 205 O GLN A 15 1.433 -1.707 5.201 1.00 0.00 O ATOM 206 CB GLN A 15 2.588 1.331 6.042 1.00 0.00 C ATOM 207 CG GLN A 15 3.085 1.998 7.325 1.00 0.00 C ATOM 208 CD GLN A 15 2.264 3.259 7.595 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.721 4.359 7.354 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.060 3.146 8.087 1.00 0.00 N ATOM 0 H GLN A 15 4.948 0.709 5.544 1.00 0.00 H new ATOM 0 HA GLN A 15 2.850 -0.587 6.984 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.975 1.860 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.501 1.384 5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.997 1.308 8.164 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.141 2.252 7.230 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.676 2.223 8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.503 3.981 8.269 1.00 0.00 H new ATOM 219 N LEU A 16 2.586 -0.606 3.689 1.00 0.00 N ATOM 220 CA LEU A 16 1.896 -1.299 2.575 1.00 0.00 C ATOM 221 C LEU A 16 1.870 -2.794 2.828 1.00 0.00 C ATOM 222 O LEU A 16 0.873 -3.456 2.621 1.00 0.00 O ATOM 223 CB LEU A 16 2.681 -1.061 1.297 1.00 0.00 C ATOM 224 CG LEU A 16 1.846 -0.258 0.319 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.194 0.915 1.045 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.768 0.257 -0.775 1.00 0.00 C ATOM 0 H LEU A 16 3.289 0.076 3.403 1.00 0.00 H new ATOM 0 HA LEU A 16 0.878 -0.918 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.605 -0.529 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.963 -2.015 0.850 1.00 0.00 H new ATOM 0 HG LEU A 16 1.061 -0.879 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.594 1.491 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.554 0.539 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.967 1.554 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.191 0.839 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.540 0.888 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.235 -0.586 -1.284 1.00 0.00 H new ATOM 238 N GLU A 17 2.975 -3.341 3.235 1.00 0.00 N ATOM 239 CA GLU A 17 3.018 -4.799 3.453 1.00 0.00 C ATOM 240 C GLU A 17 1.930 -5.207 4.448 1.00 0.00 C ATOM 241 O GLU A 17 1.525 -6.351 4.504 1.00 0.00 O ATOM 242 CB GLU A 17 4.392 -5.203 3.992 1.00 0.00 C ATOM 243 CG GLU A 17 4.561 -6.718 3.878 1.00 0.00 C ATOM 244 CD GLU A 17 5.526 -7.209 4.958 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.600 -6.637 5.068 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.177 -8.147 5.656 1.00 0.00 O ATOM 0 H GLU A 17 3.844 -2.841 3.424 1.00 0.00 H new ATOM 0 HA GLU A 17 2.843 -5.307 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.177 -4.696 3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.492 -4.893 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.595 -7.211 3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.942 -6.978 2.890 1.00 0.00 H new ATOM 253 N ASN A 18 1.451 -4.282 5.234 1.00 0.00 N ATOM 254 CA ASN A 18 0.388 -4.621 6.220 1.00 0.00 C ATOM 255 C ASN A 18 -0.926 -4.888 5.480 1.00 0.00 C ATOM 256 O ASN A 18 -1.910 -5.284 6.070 1.00 0.00 O ATOM 257 CB ASN A 18 0.202 -3.455 7.193 1.00 0.00 C ATOM 258 CG ASN A 18 -0.032 -4.002 8.603 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.293 -5.138 8.889 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.587 -3.237 9.503 1.00 0.00 N ATOM 0 H ASN A 18 1.750 -3.307 5.236 1.00 0.00 H new ATOM 0 HA ASN A 18 0.678 -5.512 6.777 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.083 -2.813 7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.644 -2.841 6.884 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.748 -3.592 10.445 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.860 -2.284 9.264 1.00 0.00 H new ATOM 267 N TYR A 19 -0.947 -4.676 4.191 1.00 0.00 N ATOM 268 CA TYR A 19 -2.197 -4.923 3.418 1.00 0.00 C ATOM 269 C TYR A 19 -2.185 -6.351 2.870 1.00 0.00 C ATOM 270 O TYR A 19 -3.120 -6.787 2.228 1.00 0.00 O ATOM 271 CB TYR A 19 -2.281 -3.929 2.257 1.00 0.00 C ATOM 272 CG TYR A 19 -2.387 -2.526 2.805 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.446 -2.182 3.654 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.424 -1.567 2.462 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.543 -0.881 4.162 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.522 -0.264 2.970 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.580 0.079 3.821 1.00 0.00 C ATOM 278 OH TYR A 19 -2.675 1.360 4.319 1.00 0.00 O ATOM 0 H TYR A 19 -0.154 -4.343 3.642 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.061 -4.794 4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.399 -4.018 1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.146 -4.154 1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.189 -2.921 3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.607 -1.832 1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.360 -0.617 4.817 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.781 0.476 2.705 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.066 1.461 5.080 1.00 0.00 H new ATOM 288 N CYS A 20 -1.134 -7.086 3.119 1.00 0.00 N ATOM 289 CA CYS A 20 -1.067 -8.484 2.614 1.00 0.00 C ATOM 290 C CYS A 20 -2.225 -9.290 3.206 1.00 0.00 C ATOM 291 O CYS A 20 -2.831 -8.897 4.183 1.00 0.00 O ATOM 292 CB CYS A 20 0.262 -9.115 3.033 1.00 0.00 C ATOM 293 SG CYS A 20 0.912 -10.107 1.669 1.00 0.00 S ATOM 0 H CYS A 20 -0.320 -6.777 3.650 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.140 -8.484 1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.976 -8.338 3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.119 -9.739 3.915 1.00 0.00 H new ATOM 298 N ASN A 21 -2.538 -10.416 2.624 1.00 0.00 N ATOM 299 CA ASN A 21 -3.658 -11.242 3.157 1.00 0.00 C ATOM 300 C ASN A 21 -3.102 -12.556 3.711 1.00 0.00 C ATOM 301 O ASN A 21 -2.921 -12.639 4.915 1.00 0.00 O ATOM 302 CB ASN A 21 -4.653 -11.541 2.034 1.00 0.00 C ATOM 303 CG ASN A 21 -5.893 -10.661 2.204 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.579 -10.743 3.203 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.212 -9.817 1.262 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.870 -13.457 2.922 1.00 0.00 O ATOM 0 H ASN A 21 -2.067 -10.799 1.804 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.165 -10.697 3.953 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.191 -11.354 1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.935 -12.594 2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.037 -9.226 1.365 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.636 -9.748 0.423 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 14.076 1.944 -3.530 1.00 0.00 N ATOM 315 CA PHE B 1 12.743 2.549 -3.254 1.00 0.00 C ATOM 316 C PHE B 1 12.911 4.039 -2.965 1.00 0.00 C ATOM 317 O PHE B 1 13.951 4.483 -2.517 1.00 0.00 O ATOM 318 CB PHE B 1 12.109 1.864 -2.040 1.00 0.00 C ATOM 319 CG PHE B 1 10.828 1.183 -2.459 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.774 1.938 -2.990 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.692 -0.205 -2.316 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.584 1.308 -3.379 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.503 -0.836 -2.705 1.00 0.00 C ATOM 324 CZ PHE B 1 8.449 -0.080 -3.236 1.00 0.00 C ATOM 0 H1 PHE B 1 14.034 0.919 -3.360 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.339 2.120 -4.521 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.787 2.370 -2.902 1.00 0.00 H new ATOM 0 HA PHE B 1 12.099 2.416 -4.123 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.800 1.134 -1.618 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.905 2.598 -1.260 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.879 3.007 -3.100 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.504 -0.788 -1.906 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.772 1.891 -3.788 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.399 -1.905 -2.596 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.533 -0.567 -3.535 1.00 0.00 H new ATOM 336 N VAL B 2 11.897 4.818 -3.222 1.00 0.00 N ATOM 337 CA VAL B 2 11.999 6.279 -2.965 1.00 0.00 C ATOM 338 C VAL B 2 10.593 6.870 -2.847 1.00 0.00 C ATOM 339 O VAL B 2 9.608 6.232 -3.161 1.00 0.00 O ATOM 340 CB VAL B 2 12.771 6.942 -4.118 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.484 6.197 -5.421 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.356 8.409 -4.277 1.00 0.00 C ATOM 0 H VAL B 2 11.003 4.505 -3.599 1.00 0.00 H new ATOM 0 HA VAL B 2 12.534 6.461 -2.033 1.00 0.00 H new ATOM 0 HB VAL B 2 13.836 6.899 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.032 6.668 -6.237 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.800 5.158 -5.323 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.415 6.233 -5.633 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.915 8.858 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.289 8.464 -4.491 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.569 8.949 -3.355 1.00 0.00 H new ATOM 352 N ASN B 3 10.499 8.087 -2.397 1.00 0.00 N ATOM 353 CA ASN B 3 9.163 8.732 -2.255 1.00 0.00 C ATOM 354 C ASN B 3 8.520 8.881 -3.630 1.00 0.00 C ATOM 355 O ASN B 3 9.058 9.522 -4.513 1.00 0.00 O ATOM 356 CB ASN B 3 9.325 10.110 -1.613 1.00 0.00 C ATOM 357 CG ASN B 3 10.079 9.976 -0.290 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.492 8.895 0.081 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.278 11.036 0.444 1.00 0.00 N ATOM 0 H ASN B 3 11.291 8.667 -2.120 1.00 0.00 H new ATOM 0 HA ASN B 3 8.527 8.112 -1.623 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.867 10.774 -2.286 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.347 10.559 -1.441 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.780 10.957 1.328 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.932 11.944 0.133 1.00 0.00 H new ATOM 366 N GLN B 4 7.376 8.290 -3.823 1.00 0.00 N ATOM 367 CA GLN B 4 6.704 8.396 -5.144 1.00 0.00 C ATOM 368 C GLN B 4 5.216 8.072 -4.991 1.00 0.00 C ATOM 369 O GLN B 4 4.830 6.926 -4.875 1.00 0.00 O ATOM 370 CB GLN B 4 7.346 7.403 -6.110 1.00 0.00 C ATOM 371 CG GLN B 4 7.507 8.063 -7.477 1.00 0.00 C ATOM 372 CD GLN B 4 7.934 7.014 -8.506 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.953 6.373 -8.349 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.190 6.808 -9.558 1.00 0.00 N ATOM 0 H GLN B 4 6.878 7.739 -3.124 1.00 0.00 H new ATOM 0 HA GLN B 4 6.812 9.409 -5.531 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.317 7.084 -5.730 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.728 6.509 -6.195 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.568 8.525 -7.782 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.251 8.858 -7.423 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.334 7.346 -9.690 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.465 6.109 -10.248 1.00 0.00 H new ATOM 383 N HIS B 5 4.378 9.072 -4.993 1.00 0.00 N ATOM 384 CA HIS B 5 2.916 8.816 -4.852 1.00 0.00 C ATOM 385 C HIS B 5 2.438 7.961 -6.026 1.00 0.00 C ATOM 386 O HIS B 5 2.680 8.278 -7.173 1.00 0.00 O ATOM 387 CB HIS B 5 2.156 10.145 -4.850 1.00 0.00 C ATOM 388 CG HIS B 5 2.957 11.189 -4.119 1.00 0.00 C ATOM 389 ND1 HIS B 5 3.910 11.074 -3.144 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 2.794 12.533 -4.381 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 4.345 12.336 -2.799 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 3.641 13.186 -3.573 1.00 0.00 N flip ATOM 0 H HIS B 5 4.641 10.053 -5.086 1.00 0.00 H new ATOM 0 HA HIS B 5 2.729 8.293 -3.914 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.968 10.469 -5.874 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.185 10.018 -4.372 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.116 12.973 -5.097 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.093 12.590 -2.063 1.00 0.00 H new ATOM 0 HE2 HIS B 5 3.741 14.201 -3.547 1.00 0.00 H new ATOM 400 N LEU B 6 1.758 6.882 -5.752 1.00 0.00 N ATOM 401 CA LEU B 6 1.270 6.015 -6.859 1.00 0.00 C ATOM 402 C LEU B 6 -0.238 5.807 -6.711 1.00 0.00 C ATOM 403 O LEU B 6 -0.750 5.662 -5.620 1.00 0.00 O ATOM 404 CB LEU B 6 1.983 4.664 -6.801 1.00 0.00 C ATOM 405 CG LEU B 6 3.430 4.836 -7.260 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.079 3.462 -7.414 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.459 5.562 -8.607 1.00 0.00 C ATOM 0 H LEU B 6 1.520 6.565 -4.812 1.00 0.00 H new ATOM 0 HA LEU B 6 1.479 6.492 -7.817 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.956 4.269 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.471 3.942 -7.437 1.00 0.00 H new ATOM 0 HG LEU B 6 3.977 5.421 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.112 3.582 -7.742 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.060 2.941 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.529 2.881 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.492 5.684 -8.933 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.912 4.978 -9.347 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.994 6.542 -8.502 1.00 0.00 H new ATOM 419 N CYS B 7 -0.954 5.795 -7.800 1.00 0.00 N ATOM 420 CA CYS B 7 -2.427 5.601 -7.717 1.00 0.00 C ATOM 421 C CYS B 7 -2.844 4.449 -8.635 1.00 0.00 C ATOM 422 O CYS B 7 -2.016 3.725 -9.150 1.00 0.00 O ATOM 423 CB CYS B 7 -3.136 6.883 -8.161 1.00 0.00 C ATOM 424 SG CYS B 7 -2.476 8.289 -7.231 1.00 0.00 S ATOM 0 H CYS B 7 -0.583 5.911 -8.743 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.704 5.367 -6.689 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.991 7.040 -9.230 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.209 6.794 -7.994 1.00 0.00 H new ATOM 429 N GLY B 8 -4.121 4.286 -8.842 1.00 0.00 N ATOM 430 CA GLY B 8 -4.613 3.193 -9.730 1.00 0.00 C ATOM 431 C GLY B 8 -3.780 1.924 -9.530 1.00 0.00 C ATOM 432 O GLY B 8 -3.246 1.673 -8.467 1.00 0.00 O ATOM 0 H GLY B 8 -4.852 4.867 -8.431 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.661 2.985 -9.514 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.559 3.510 -10.771 1.00 0.00 H new ATOM 436 N SER B 9 -3.670 1.117 -10.553 1.00 0.00 N ATOM 437 CA SER B 9 -2.882 -0.140 -10.433 1.00 0.00 C ATOM 438 C SER B 9 -1.430 0.188 -10.073 1.00 0.00 C ATOM 439 O SER B 9 -0.711 -0.631 -9.536 1.00 0.00 O ATOM 440 CB SER B 9 -2.915 -0.891 -11.763 1.00 0.00 C ATOM 441 OG SER B 9 -2.394 -0.056 -12.788 1.00 0.00 O ATOM 0 H SER B 9 -4.094 1.277 -11.467 1.00 0.00 H new ATOM 0 HA SER B 9 -3.317 -0.761 -9.649 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.328 -1.807 -11.691 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.937 -1.185 -12.002 1.00 0.00 H new ATOM 0 HG SER B 9 -2.412 -0.536 -13.642 1.00 0.00 H new ATOM 447 N HIS B 10 -0.995 1.381 -10.368 1.00 0.00 N ATOM 448 CA HIS B 10 0.412 1.764 -10.048 1.00 0.00 C ATOM 449 C HIS B 10 0.622 1.698 -8.538 1.00 0.00 C ATOM 450 O HIS B 10 1.578 1.125 -8.058 1.00 0.00 O ATOM 451 CB HIS B 10 0.696 3.191 -10.531 1.00 0.00 C ATOM 452 CG HIS B 10 -0.097 3.481 -11.775 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.344 4.019 -11.938 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.401 3.207 -13.029 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.627 4.084 -13.286 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.540 3.580 -13.907 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.551 2.109 -10.817 1.00 0.00 H new ATOM 0 HA HIS B 10 1.089 1.074 -10.551 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.437 3.906 -9.750 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.761 3.310 -10.733 1.00 0.00 H new ATOM 0 HD1 HIS B 10 -1.963 4.322 -11.186 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.364 2.775 -13.260 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.528 4.459 -13.748 1.00 0.00 H new ATOM 464 N LEU B 11 -0.260 2.283 -7.781 1.00 0.00 N ATOM 465 CA LEU B 11 -0.096 2.248 -6.306 1.00 0.00 C ATOM 466 C LEU B 11 -0.119 0.793 -5.822 1.00 0.00 C ATOM 467 O LEU B 11 0.585 0.427 -4.900 1.00 0.00 O ATOM 468 CB LEU B 11 -1.211 3.065 -5.649 1.00 0.00 C ATOM 469 CG LEU B 11 -2.406 2.175 -5.322 1.00 0.00 C ATOM 470 CD1 LEU B 11 -2.214 1.559 -3.940 1.00 0.00 C ATOM 471 CD2 LEU B 11 -3.658 3.029 -5.328 1.00 0.00 C ATOM 0 H LEU B 11 -1.083 2.781 -8.119 1.00 0.00 H new ATOM 0 HA LEU B 11 0.862 2.687 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.838 3.532 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.521 3.869 -6.316 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.495 1.378 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.067 0.922 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.302 0.962 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.136 2.352 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.523 2.408 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.565 3.816 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.787 3.478 -6.313 1.00 0.00 H new ATOM 483 N VAL B 12 -0.912 -0.044 -6.439 1.00 0.00 N ATOM 484 CA VAL B 12 -0.949 -1.470 -5.997 1.00 0.00 C ATOM 485 C VAL B 12 0.198 -2.225 -6.658 1.00 0.00 C ATOM 486 O VAL B 12 0.759 -3.131 -6.078 1.00 0.00 O ATOM 487 CB VAL B 12 -2.280 -2.146 -6.357 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.177 -2.184 -5.124 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.990 -1.381 -7.465 1.00 0.00 C ATOM 0 H VAL B 12 -1.527 0.192 -7.218 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.848 -1.492 -4.912 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.073 -3.158 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.123 -2.663 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.684 -2.749 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.366 -1.167 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.931 -1.877 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.191 -0.363 -7.133 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.357 -1.355 -8.352 1.00 0.00 H new ATOM 499 N GLU B 13 0.571 -1.853 -7.855 1.00 0.00 N ATOM 500 CA GLU B 13 1.706 -2.561 -8.509 1.00 0.00 C ATOM 501 C GLU B 13 2.836 -2.637 -7.487 1.00 0.00 C ATOM 502 O GLU B 13 3.625 -3.562 -7.467 1.00 0.00 O ATOM 503 CB GLU B 13 2.154 -1.804 -9.767 1.00 0.00 C ATOM 504 CG GLU B 13 3.006 -0.593 -9.383 1.00 0.00 C ATOM 505 CD GLU B 13 4.468 -0.860 -9.746 1.00 0.00 C ATOM 506 OE1 GLU B 13 4.818 -0.656 -10.897 1.00 0.00 O ATOM 507 OE2 GLU B 13 5.211 -1.263 -8.868 1.00 0.00 O ATOM 0 H GLU B 13 0.146 -1.102 -8.399 1.00 0.00 H new ATOM 0 HA GLU B 13 1.411 -3.562 -8.825 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.725 -2.468 -10.415 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.282 -1.478 -10.334 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.648 0.296 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.916 -0.396 -8.315 1.00 0.00 H new ATOM 514 N ALA B 14 2.873 -1.678 -6.601 1.00 0.00 N ATOM 515 CA ALA B 14 3.896 -1.685 -5.531 1.00 0.00 C ATOM 516 C ALA B 14 3.429 -2.685 -4.479 1.00 0.00 C ATOM 517 O ALA B 14 4.174 -3.537 -4.039 1.00 0.00 O ATOM 518 CB ALA B 14 4.004 -0.287 -4.919 1.00 0.00 C ATOM 0 H ALA B 14 2.230 -0.886 -6.578 1.00 0.00 H new ATOM 0 HA ALA B 14 4.876 -1.963 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.757 -0.292 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.291 0.427 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.041 0.001 -4.498 1.00 0.00 H new ATOM 524 N LEU B 15 2.176 -2.610 -4.102 1.00 0.00 N ATOM 525 CA LEU B 15 1.643 -3.584 -3.114 1.00 0.00 C ATOM 526 C LEU B 15 1.789 -4.984 -3.707 1.00 0.00 C ATOM 527 O LEU B 15 2.380 -5.867 -3.121 1.00 0.00 O ATOM 528 CB LEU B 15 0.162 -3.298 -2.862 1.00 0.00 C ATOM 529 CG LEU B 15 0.018 -2.422 -1.622 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.464 -2.164 -1.353 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.634 -3.143 -0.421 1.00 0.00 C ATOM 0 H LEU B 15 1.506 -1.918 -4.437 1.00 0.00 H new ATOM 0 HA LEU B 15 2.188 -3.505 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.275 -2.798 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.382 -4.233 -2.725 1.00 0.00 H new ATOM 0 HG LEU B 15 0.530 -1.473 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.569 -1.538 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.907 -1.657 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.975 -3.113 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.533 -2.520 0.468 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.118 -4.090 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.690 -3.333 -0.613 1.00 0.00 H new ATOM 543 N TYR B 16 1.258 -5.178 -4.884 1.00 0.00 N ATOM 544 CA TYR B 16 1.363 -6.502 -5.549 1.00 0.00 C ATOM 545 C TYR B 16 2.787 -7.033 -5.379 1.00 0.00 C ATOM 546 O TYR B 16 3.007 -8.223 -5.259 1.00 0.00 O ATOM 547 CB TYR B 16 1.054 -6.334 -7.039 1.00 0.00 C ATOM 548 CG TYR B 16 0.010 -7.339 -7.461 1.00 0.00 C ATOM 549 CD1 TYR B 16 -0.018 -8.612 -6.879 1.00 0.00 C ATOM 550 CD2 TYR B 16 -0.932 -6.995 -8.441 1.00 0.00 C ATOM 551 CE1 TYR B 16 -0.988 -9.542 -7.276 1.00 0.00 C ATOM 552 CE2 TYR B 16 -1.901 -7.925 -8.838 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.930 -9.200 -8.255 1.00 0.00 C ATOM 554 OH TYR B 16 -2.884 -10.117 -8.647 1.00 0.00 O ATOM 0 H TYR B 16 0.753 -4.468 -5.415 1.00 0.00 H new ATOM 0 HA TYR B 16 0.657 -7.203 -5.105 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.698 -5.322 -7.234 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.962 -6.471 -7.626 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.708 -8.877 -6.124 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.910 -6.013 -8.890 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.009 -10.524 -6.827 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.626 -7.660 -9.593 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.459 -9.718 -9.333 1.00 0.00 H new ATOM 564 N LEU B 17 3.757 -6.159 -5.363 1.00 0.00 N ATOM 565 CA LEU B 17 5.166 -6.612 -5.196 1.00 0.00 C ATOM 566 C LEU B 17 5.477 -6.772 -3.706 1.00 0.00 C ATOM 567 O LEU B 17 6.158 -7.693 -3.301 1.00 0.00 O ATOM 568 CB LEU B 17 6.114 -5.580 -5.807 1.00 0.00 C ATOM 569 CG LEU B 17 7.292 -6.299 -6.468 1.00 0.00 C ATOM 570 CD1 LEU B 17 7.300 -5.997 -7.968 1.00 0.00 C ATOM 571 CD2 LEU B 17 8.601 -5.811 -5.844 1.00 0.00 C ATOM 0 H LEU B 17 3.634 -5.151 -5.458 1.00 0.00 H new ATOM 0 HA LEU B 17 5.300 -7.569 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.585 -4.974 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.475 -4.900 -5.035 1.00 0.00 H new ATOM 0 HG LEU B 17 7.193 -7.374 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.139 -6.510 -8.438 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.368 -6.343 -8.414 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.399 -4.922 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.441 -6.322 -6.314 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.699 -4.736 -5.997 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.597 -6.026 -4.775 1.00 0.00 H new ATOM 583 N VAL B 18 4.983 -5.885 -2.882 1.00 0.00 N ATOM 584 CA VAL B 18 5.257 -5.999 -1.423 1.00 0.00 C ATOM 585 C VAL B 18 5.047 -7.453 -0.990 1.00 0.00 C ATOM 586 O VAL B 18 5.878 -8.046 -0.331 1.00 0.00 O ATOM 587 CB VAL B 18 4.316 -5.056 -0.646 1.00 0.00 C ATOM 588 CG1 VAL B 18 3.051 -5.791 -0.183 1.00 0.00 C ATOM 589 CG2 VAL B 18 5.053 -4.507 0.576 1.00 0.00 C ATOM 0 H VAL B 18 4.405 -5.091 -3.157 1.00 0.00 H new ATOM 0 HA VAL B 18 6.286 -5.710 -1.209 1.00 0.00 H new ATOM 0 HB VAL B 18 4.019 -4.244 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.408 -5.100 0.362 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.516 -6.177 -1.051 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.329 -6.619 0.469 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.393 -3.839 1.130 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.356 -5.333 1.219 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.936 -3.957 0.251 1.00 0.00 H new ATOM 599 N CYS B 19 3.938 -8.029 -1.362 1.00 0.00 N ATOM 600 CA CYS B 19 3.663 -9.443 -0.984 1.00 0.00 C ATOM 601 C CYS B 19 4.386 -10.376 -1.957 1.00 0.00 C ATOM 602 O CYS B 19 5.290 -11.097 -1.587 1.00 0.00 O ATOM 603 CB CYS B 19 2.159 -9.705 -1.053 1.00 0.00 C ATOM 604 SG CYS B 19 1.321 -8.747 0.233 1.00 0.00 S ATOM 0 H CYS B 19 3.207 -7.579 -1.914 1.00 0.00 H new ATOM 0 HA CYS B 19 4.018 -9.625 0.030 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.776 -9.429 -2.035 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.958 -10.768 -0.919 1.00 0.00 H new HETATM 609 N DAL B 20 3.991 -10.369 -3.202 1.00 0.00 N HETATM 610 CA DAL B 20 4.653 -11.257 -4.197 1.00 0.00 C HETATM 611 CB DAL B 20 4.150 -10.914 -5.603 1.00 0.00 C HETATM 612 C DAL B 20 4.320 -12.717 -3.881 1.00 0.00 C HETATM 613 O DAL B 20 4.855 -13.630 -4.478 1.00 0.00 O HETATM 0 HB3 DAL B 20 3.071 -11.059 -5.649 1.00 0.00 H new HETATM 0 HB2 DAL B 20 4.386 -9.875 -5.830 1.00 0.00 H new HETATM 0 HB1 DAL B 20 4.635 -11.564 -6.331 1.00 0.00 H new HETATM 0 HA DAL B 20 5.732 -11.111 -4.150 1.00 0.00 H new HETATM 0 H DAL B 20 3.318 -9.669 -3.512 1.00 0.00 H new ATOM 619 N GLU B 21 3.441 -12.948 -2.942 1.00 0.00 N ATOM 620 CA GLU B 21 3.077 -14.349 -2.589 1.00 0.00 C ATOM 621 C GLU B 21 2.099 -14.343 -1.412 1.00 0.00 C ATOM 622 O GLU B 21 2.446 -14.699 -0.303 1.00 0.00 O ATOM 623 CB GLU B 21 4.339 -15.123 -2.201 1.00 0.00 C ATOM 624 CG GLU B 21 4.207 -16.576 -2.658 1.00 0.00 C ATOM 625 CD GLU B 21 5.266 -17.430 -1.959 1.00 0.00 C ATOM 626 OE1 GLU B 21 6.251 -16.868 -1.511 1.00 0.00 O ATOM 627 OE2 GLU B 21 5.074 -18.633 -1.884 1.00 0.00 O ATOM 0 H GLU B 21 2.960 -12.226 -2.405 1.00 0.00 H new ATOM 0 HA GLU B 21 2.607 -14.828 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.215 -14.665 -2.660 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.486 -15.082 -1.122 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.211 -16.952 -2.426 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.328 -16.641 -3.739 1.00 0.00 H new ATOM 634 N ARG B 22 0.880 -13.942 -1.645 1.00 0.00 N ATOM 635 CA ARG B 22 -0.121 -13.914 -0.541 1.00 0.00 C ATOM 636 C ARG B 22 -1.486 -13.522 -1.108 1.00 0.00 C ATOM 637 O ARG B 22 -2.432 -14.283 -1.061 1.00 0.00 O ATOM 638 CB ARG B 22 0.306 -12.894 0.515 1.00 0.00 C ATOM 639 CG ARG B 22 0.232 -13.534 1.903 1.00 0.00 C ATOM 640 CD ARG B 22 1.646 -13.726 2.454 1.00 0.00 C ATOM 641 NE ARG B 22 2.125 -15.099 2.129 1.00 0.00 N ATOM 642 CZ ARG B 22 3.153 -15.598 2.760 1.00 0.00 C ATOM 643 NH1 ARG B 22 4.295 -14.967 2.744 1.00 0.00 N ATOM 644 NH2 ARG B 22 3.038 -16.726 3.405 1.00 0.00 N ATOM 0 H ARG B 22 0.533 -13.632 -2.553 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.184 -14.901 -0.082 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.321 -12.551 0.315 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.341 -12.018 0.472 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.349 -12.903 2.575 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -0.280 -14.494 1.845 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.319 -12.984 2.025 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.651 -13.574 3.533 1.00 0.00 H new ATOM 0 HE ARG B 22 1.650 -15.649 1.413 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.383 -14.085 2.239 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.099 -15.356 3.237 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.145 -17.218 3.416 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.841 -17.116 3.898 1.00 0.00 H new HETATM 658 N DAL B 23 -1.595 -12.339 -1.647 1.00 0.00 N HETATM 659 CA DAL B 23 -2.897 -11.898 -2.219 1.00 0.00 C HETATM 660 CB DAL B 23 -2.717 -11.576 -3.704 1.00 0.00 C HETATM 661 C DAL B 23 -3.383 -10.649 -1.483 1.00 0.00 C HETATM 662 O DAL B 23 -4.463 -10.624 -0.927 1.00 0.00 O HETATM 0 HB3 DAL B 23 -1.982 -10.779 -3.817 1.00 0.00 H new HETATM 0 HB2 DAL B 23 -2.372 -12.466 -4.230 1.00 0.00 H new HETATM 0 HB1 DAL B 23 -3.669 -11.253 -4.124 1.00 0.00 H new HETATM 0 HA DAL B 23 -3.632 -12.695 -2.105 1.00 0.00 H new ATOM 668 N PHE B 24 -2.595 -9.609 -1.481 1.00 0.00 N ATOM 669 CA PHE B 24 -3.013 -8.358 -0.787 1.00 0.00 C ATOM 670 C PHE B 24 -4.410 -7.959 -1.268 1.00 0.00 C ATOM 671 O PHE B 24 -5.036 -8.659 -2.040 1.00 0.00 O ATOM 672 CB PHE B 24 -2.014 -7.240 -1.109 1.00 0.00 C ATOM 673 CG PHE B 24 -2.288 -6.696 -2.492 1.00 0.00 C ATOM 674 CD1 PHE B 24 -1.799 -7.365 -3.623 1.00 0.00 C ATOM 675 CD2 PHE B 24 -3.047 -5.528 -2.644 1.00 0.00 C ATOM 676 CE1 PHE B 24 -2.064 -6.863 -4.904 1.00 0.00 C ATOM 677 CE2 PHE B 24 -3.314 -5.027 -3.924 1.00 0.00 C ATOM 678 CZ PHE B 24 -2.824 -5.694 -5.053 1.00 0.00 C ATOM 0 H PHE B 24 -1.680 -9.571 -1.930 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.034 -8.522 0.290 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.096 -6.442 -0.371 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.995 -7.622 -1.053 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.218 -8.268 -3.507 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.426 -5.014 -1.773 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.684 -7.376 -5.775 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.898 -4.126 -4.040 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.032 -5.308 -6.040 1.00 0.00 H new ATOM 688 N PHE B 25 -4.906 -6.838 -0.823 1.00 0.00 N ATOM 689 CA PHE B 25 -6.256 -6.400 -1.262 1.00 0.00 C ATOM 690 C PHE B 25 -6.365 -4.879 -1.147 1.00 0.00 C ATOM 691 O PHE B 25 -6.390 -4.329 -0.064 1.00 0.00 O ATOM 692 CB PHE B 25 -7.311 -7.057 -0.375 1.00 0.00 C ATOM 693 CG PHE B 25 -7.219 -6.492 1.024 1.00 0.00 C ATOM 694 CD1 PHE B 25 -6.056 -6.683 1.783 1.00 0.00 C ATOM 695 CD2 PHE B 25 -8.295 -5.772 1.559 1.00 0.00 C ATOM 696 CE1 PHE B 25 -5.971 -6.155 3.077 1.00 0.00 C ATOM 697 CE2 PHE B 25 -8.210 -5.245 2.854 1.00 0.00 C ATOM 698 CZ PHE B 25 -7.048 -5.435 3.613 1.00 0.00 C ATOM 0 H PHE B 25 -4.434 -6.208 -0.175 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.416 -6.694 -2.299 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.306 -6.881 -0.784 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.161 -8.136 -0.353 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.226 -7.237 1.370 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.190 -5.623 0.973 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.075 -6.302 3.662 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.040 -4.692 3.267 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.982 -5.027 4.611 1.00 0.00 H new ATOM 708 N TYR B 26 -6.435 -4.190 -2.253 1.00 0.00 N ATOM 709 CA TYR B 26 -6.548 -2.707 -2.189 1.00 0.00 C ATOM 710 C TYR B 26 -8.016 -2.321 -2.008 1.00 0.00 C ATOM 711 O TYR B 26 -8.884 -2.794 -2.714 1.00 0.00 O ATOM 712 CB TYR B 26 -6.016 -2.082 -3.475 1.00 0.00 C ATOM 713 CG TYR B 26 -5.562 -0.676 -3.176 1.00 0.00 C ATOM 714 CD1 TYR B 26 -4.737 -0.432 -2.070 1.00 0.00 C ATOM 715 CD2 TYR B 26 -5.973 0.386 -3.993 1.00 0.00 C ATOM 716 CE1 TYR B 26 -4.321 0.875 -1.782 1.00 0.00 C ATOM 717 CE2 TYR B 26 -5.557 1.693 -3.702 1.00 0.00 C ATOM 718 CZ TYR B 26 -4.731 1.936 -2.596 1.00 0.00 C ATOM 719 OH TYR B 26 -4.323 3.223 -2.308 1.00 0.00 O ATOM 0 H TYR B 26 -6.419 -4.587 -3.192 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.960 -2.341 -1.347 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.187 -2.672 -3.867 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.792 -2.074 -4.241 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.422 -1.251 -1.440 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.609 0.198 -4.845 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.683 1.063 -0.931 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.873 2.513 -4.330 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.580 3.195 -1.670 1.00 0.00 H new ATOM 729 N THR B 27 -8.301 -1.468 -1.064 1.00 0.00 N ATOM 730 CA THR B 27 -9.707 -1.057 -0.833 1.00 0.00 C ATOM 731 C THR B 27 -9.981 0.263 -1.557 1.00 0.00 C ATOM 732 O THR B 27 -9.464 1.300 -1.192 1.00 0.00 O ATOM 733 CB THR B 27 -9.922 -0.877 0.667 1.00 0.00 C ATOM 734 OG1 THR B 27 -8.714 -0.425 1.264 1.00 0.00 O ATOM 735 CG2 THR B 27 -10.333 -2.212 1.285 1.00 0.00 C ATOM 0 H THR B 27 -7.616 -1.038 -0.442 1.00 0.00 H new ATOM 0 HA THR B 27 -10.387 -1.818 -1.216 1.00 0.00 H new ATOM 0 HB THR B 27 -10.709 -0.142 0.840 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.849 -0.307 2.227 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.487 -2.085 2.357 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.259 -2.557 0.824 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.547 -2.948 1.116 1.00 0.00 H new ATOM 743 N LYS B 28 -10.792 0.233 -2.579 1.00 0.00 N ATOM 744 CA LYS B 28 -11.096 1.487 -3.321 1.00 0.00 C ATOM 745 C LYS B 28 -12.597 1.556 -3.620 1.00 0.00 C ATOM 746 O LYS B 28 -13.034 1.162 -4.682 1.00 0.00 O ATOM 747 CB LYS B 28 -10.313 1.503 -4.635 1.00 0.00 C ATOM 748 CG LYS B 28 -9.252 2.605 -4.585 1.00 0.00 C ATOM 749 CD LYS B 28 -9.876 3.934 -5.013 1.00 0.00 C ATOM 750 CE LYS B 28 -9.213 4.418 -6.304 1.00 0.00 C ATOM 751 NZ LYS B 28 -9.297 5.904 -6.378 1.00 0.00 N ATOM 0 H LYS B 28 -11.256 -0.604 -2.931 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.808 2.346 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -9.840 0.535 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.990 1.673 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -8.847 2.689 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.420 2.353 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.948 3.812 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.749 4.677 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.171 4.100 -6.332 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.705 3.972 -7.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.846 6.234 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.295 6.196 -6.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.808 6.321 -5.560 1.00 0.00 H new ATOM 765 N PRO B 29 -13.340 2.059 -2.667 1.00 0.00 N ATOM 766 CA PRO B 29 -14.802 2.201 -2.789 1.00 0.00 C ATOM 767 C PRO B 29 -15.145 3.415 -3.656 1.00 0.00 C ATOM 768 O PRO B 29 -16.290 3.653 -3.985 1.00 0.00 O ATOM 769 CB PRO B 29 -15.264 2.412 -1.345 1.00 0.00 C ATOM 770 CG PRO B 29 -14.034 2.941 -0.567 1.00 0.00 C ATOM 771 CD PRO B 29 -12.791 2.534 -1.379 1.00 0.00 C ATOM 0 HA PRO B 29 -15.281 1.343 -3.261 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -16.088 3.124 -1.301 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.626 1.479 -0.912 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -14.084 4.024 -0.453 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -13.998 2.516 0.436 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.114 3.377 -1.521 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -12.224 1.751 -0.875 1.00 0.00 H new ATOM 779 N THR B 30 -14.160 4.186 -4.027 1.00 0.00 N ATOM 780 CA THR B 30 -14.426 5.384 -4.872 1.00 0.00 C ATOM 781 C THR B 30 -13.303 5.543 -5.898 1.00 0.00 C ATOM 782 O THR B 30 -12.751 4.534 -6.304 1.00 0.00 O ATOM 783 CB THR B 30 -14.486 6.629 -3.986 1.00 0.00 C ATOM 784 OG1 THR B 30 -14.740 7.771 -4.793 1.00 0.00 O ATOM 785 CG2 THR B 30 -13.153 6.799 -3.262 1.00 0.00 C ATOM 786 OXT THR B 30 -13.014 6.671 -6.262 1.00 0.00 O ATOM 0 H THR B 30 -13.181 4.038 -3.781 1.00 0.00 H new ATOM 0 HA THR B 30 -15.377 5.260 -5.390 1.00 0.00 H new ATOM 0 HB THR B 30 -15.285 6.519 -3.253 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.030 7.863 -5.462 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.193 7.686 -2.630 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.960 5.922 -2.645 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.353 6.911 -3.994 1.00 0.00 H new TER 794 THR B 30