USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 hydrogens (57 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: A 4 CLGHNM2 : A 4 CLG NM : B 16 CLH CL :(H bumps) USER MOD NoAdj-H: A 4 CLGHNM1 : A 4 CLG NM : B 16 CLH CL :(H bumps) USER MOD NoAdj-H: A 4 CLG H2 : A 4 CLG N : A 3 ALA C :(H bumps) USER MOD NoAdj-H: A 17 ABA H : A 17 ABA N : A 16 LEU C :(H bumps) USER MOD NoAdj-H: B 16 CLH H2 : B 16 CLH N : B 15 GLY C :(H bumps) USER MOD NoAdj-H: B 17 ABA H : B 17 ABA N : B 16 CLH C :(H bumps) USER MOD Set 1.1: B 11 ASN : amide:sc= -2.45 K(o=-2.6,f=-4.8!) USER MOD Set 1.2: B 18 GLN : amide:sc= -0.168 X(o=-2.6,f=-2.3) USER MOD Set 2.1: A 11 ASN : amide:sc= -0.0189 X(o=0.11,f=-0.031) USER MOD Set 2.2: A 18 GLN : amide:sc= 0.13 K(o=0.11,f=-3.6!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -95:sc= 0.98 USER MOD Single : A 22 TYR OH : rot 180:sc= 0.022 USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 150:sc= -0.374 (180deg=-0.846) USER MOD Single : B 19 THR OG1 : rot 28:sc= 1.29 USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 CA MPT A 1 -1.571 -13.837 -12.481 1.00 0.00 C HETATM 2 C MPT A 1 -2.558 -13.959 -13.649 1.00 0.00 C HETATM 3 O MPT A 1 -2.229 -14.469 -14.703 1.00 0.00 O HETATM 4 CB MPT A 1 -1.932 -14.835 -11.384 1.00 0.00 C HETATM 5 SG MPT A 1 -1.250 -14.274 -9.804 1.00 0.00 S HETATM 0 HB2 MPT A 1 -3.015 -14.933 -11.310 1.00 0.00 H new HETATM 0 HB1 MPT A 1 -1.539 -15.821 -11.632 1.00 0.00 H new HETATM 0 HA2 MPT A 1 -0.556 -14.022 -12.832 1.00 0.00 H new HETATM 0 HA1 MPT A 1 -1.591 -12.823 -12.082 1.00 0.00 H new ATOM 10 N LYS A 2 -3.765 -13.495 -13.469 1.00 0.00 N ATOM 11 CA LYS A 2 -4.772 -13.582 -14.554 1.00 0.00 C ATOM 12 C LYS A 2 -5.399 -12.209 -14.783 1.00 0.00 C ATOM 13 O LYS A 2 -4.731 -11.251 -15.118 1.00 0.00 O ATOM 14 CB LYS A 2 -5.797 -14.597 -14.039 1.00 0.00 C ATOM 15 CG LYS A 2 -5.102 -15.931 -13.757 1.00 0.00 C ATOM 16 CD LYS A 2 -5.457 -16.403 -12.345 1.00 0.00 C ATOM 17 CE LYS A 2 -5.132 -17.893 -12.208 1.00 0.00 C ATOM 18 NZ LYS A 2 -5.658 -18.281 -10.870 1.00 0.00 N ATOM 0 H LYS A 2 -4.095 -13.057 -12.609 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.354 -13.890 -15.512 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.270 -14.223 -13.131 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.588 -14.736 -14.776 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.411 -16.676 -14.490 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.022 -15.818 -13.854 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.898 -15.828 -11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.515 -16.231 -12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.603 -18.474 -13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.059 -18.071 -12.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.472 -19.291 -10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.187 -17.716 -10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.683 -18.107 -10.836 1.00 0.00 H new ATOM 32 N ALA A 3 -6.669 -12.116 -14.603 1.00 0.00 N ATOM 33 CA ALA A 3 -7.373 -10.817 -14.799 1.00 0.00 C ATOM 34 C ALA A 3 -7.142 -9.909 -13.591 1.00 0.00 C ATOM 35 O ALA A 3 -8.074 -9.407 -12.996 1.00 0.00 O ATOM 36 CB ALA A 3 -8.853 -11.181 -14.922 1.00 0.00 C ATOM 0 H ALA A 3 -7.270 -12.891 -14.324 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.014 -10.279 -15.676 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.440 -10.274 -15.069 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.994 -11.847 -15.773 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.181 -11.682 -14.011 1.00 0.00 H new HETATM 42 N CLG A 4 -5.905 -9.706 -13.228 1.00 0.00 N HETATM 43 CA CLG A 4 -5.590 -8.834 -12.055 1.00 0.00 C HETATM 44 CB CLG A 4 -4.160 -8.349 -12.300 1.00 0.00 C HETATM 45 CG CLG A 4 -4.038 -7.828 -13.735 1.00 0.00 C HETATM 46 CD CLG A 4 -3.486 -6.402 -13.716 1.00 0.00 C HETATM 47 CE CLG A 4 -4.071 -5.614 -14.891 1.00 0.00 C HETATM 48 NZ CLG A 4 -3.192 -5.940 -16.049 1.00 0.00 N HETATM 49 CH CLG A 4 -2.742 -4.983 -16.816 1.00 0.00 C HETATM 50 OI CLG A 4 -3.026 -3.821 -16.605 1.00 0.00 O HETATM 51 CI CLG A 4 -1.844 -5.381 -17.988 1.00 0.00 C HETATM 52 NJ CLG A 4 -0.549 -4.652 -17.895 1.00 0.00 N HETATM 53 CK CLG A 4 -0.266 -3.711 -18.753 1.00 0.00 C HETATM 54 OL CLG A 4 -1.042 -3.413 -19.639 1.00 0.00 O HETATM 55 C CLG A 4 -6.553 -7.644 -11.992 1.00 0.00 C HETATM 56 O CLG A 4 -6.438 -6.698 -12.745 1.00 0.00 O HETATM 57 CL CLG A 4 1.080 -2.998 -18.605 1.00 0.00 C HETATM 58 OM CLG A 4 1.209 -2.016 -19.621 1.00 0.00 O HETATM 59 NM CLG A 4 2.452 -1.340 -19.503 1.00 0.00 N HETATM 0 HZ CLG A 4 -2.942 -6.910 -16.243 1.00 0.00 H new HETATM 0 HNJ CLG A 4 0.117 -4.889 -17.160 1.00 0.00 H new HETATM 0 HL2 CLG A 4 1.150 -2.532 -17.622 1.00 0.00 H new HETATM 0 HL1 CLG A 4 1.895 -3.718 -18.675 1.00 0.00 H new HETATM 0 HI2 CLG A 4 -1.669 -6.457 -17.976 1.00 0.00 H new HETATM 0 HI1 CLG A 4 -2.337 -5.149 -18.932 1.00 0.00 H new HETATM 0 HG3 CLG A 4 -3.380 -8.476 -14.314 1.00 0.00 H new HETATM 0 HG2 CLG A 4 -5.012 -7.845 -14.223 1.00 0.00 H new HETATM 0 HE3 CLG A 4 -5.104 -5.904 -15.085 1.00 0.00 H new HETATM 0 HE2 CLG A 4 -4.073 -4.543 -14.686 1.00 0.00 H new HETATM 0 HD3 CLG A 4 -3.740 -5.915 -12.775 1.00 0.00 H new HETATM 0 HD2 CLG A 4 -2.398 -6.421 -13.782 1.00 0.00 H new HETATM 0 HB3 CLG A 4 -3.906 -7.560 -11.592 1.00 0.00 H new HETATM 0 HB2 CLG A 4 -3.455 -9.164 -12.136 1.00 0.00 H new HETATM 0 HA CLG A 4 -5.690 -9.368 -11.110 1.00 0.00 H new HETATM 0 H CLG A 4 -5.208 -9.850 -13.958 1.00 0.00 H new ATOM 76 N ILE A 5 -7.506 -7.690 -11.102 1.00 0.00 N ATOM 77 CA ILE A 5 -8.480 -6.566 -10.989 1.00 0.00 C ATOM 78 C ILE A 5 -7.761 -5.273 -10.596 1.00 0.00 C ATOM 79 O ILE A 5 -6.568 -5.260 -10.361 1.00 0.00 O ATOM 80 CB ILE A 5 -9.450 -6.995 -9.889 1.00 0.00 C ATOM 81 CG1 ILE A 5 -9.959 -8.408 -10.180 1.00 0.00 C ATOM 82 CG2 ILE A 5 -10.635 -6.028 -9.846 1.00 0.00 C ATOM 83 CD1 ILE A 5 -9.307 -9.395 -9.212 1.00 0.00 C ATOM 0 H ILE A 5 -7.653 -8.458 -10.447 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.990 -6.368 -11.931 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.935 -6.983 -8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -11.043 -8.444 -10.077 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -9.728 -8.685 -11.209 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.327 -6.335 -9.061 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.275 -5.020 -9.639 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.149 -6.039 -10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -9.670 -10.402 -9.420 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -8.225 -9.366 -9.337 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -9.561 -9.122 -8.188 1.00 0.00 H new ATOM 95 N ILE A 6 -8.478 -4.185 -10.523 1.00 0.00 N ATOM 96 CA ILE A 6 -7.838 -2.892 -10.145 1.00 0.00 C ATOM 97 C ILE A 6 -8.797 -2.061 -9.287 1.00 0.00 C ATOM 98 O ILE A 6 -9.771 -1.523 -9.774 1.00 0.00 O ATOM 99 CB ILE A 6 -7.555 -2.187 -11.471 1.00 0.00 C ATOM 100 CG1 ILE A 6 -7.085 -0.757 -11.196 1.00 0.00 C ATOM 101 CG2 ILE A 6 -8.832 -2.150 -12.313 1.00 0.00 C ATOM 102 CD1 ILE A 6 -5.752 -0.514 -11.905 1.00 0.00 C ATOM 0 H ILE A 6 -9.480 -4.135 -10.709 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.930 -3.035 -9.559 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.779 -2.729 -12.012 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.831 -0.044 -11.547 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.973 -0.600 -10.123 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.630 -1.647 -13.259 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.169 -3.168 -12.508 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.608 -1.608 -11.773 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.416 0.504 -11.710 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.008 -1.219 -11.533 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.880 -0.654 -12.978 1.00 0.00 H new ATOM 114 N ARG A 7 -8.529 -1.953 -8.016 1.00 0.00 N ATOM 115 CA ARG A 7 -9.425 -1.158 -7.128 1.00 0.00 C ATOM 116 C ARG A 7 -9.288 0.335 -7.437 1.00 0.00 C ATOM 117 O ARG A 7 -8.208 0.828 -7.694 1.00 0.00 O ATOM 118 CB ARG A 7 -8.946 -1.460 -5.709 1.00 0.00 C ATOM 119 CG ARG A 7 -10.101 -2.046 -4.894 1.00 0.00 C ATOM 120 CD ARG A 7 -10.339 -3.497 -5.318 1.00 0.00 C ATOM 121 NE ARG A 7 -11.758 -3.773 -4.958 1.00 0.00 N ATOM 122 CZ ARG A 7 -12.541 -4.380 -5.807 1.00 0.00 C ATOM 123 NH1 ARG A 7 -12.036 -5.187 -6.699 1.00 0.00 N ATOM 124 NH2 ARG A 7 -13.830 -4.178 -5.765 1.00 0.00 N ATOM 0 H ARG A 7 -7.728 -2.381 -7.552 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.476 -1.414 -7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.113 -2.163 -5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.579 -0.549 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.869 -2.000 -3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.005 -1.457 -5.049 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.169 -3.629 -6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.661 -4.176 -4.801 1.00 0.00 H new ATOM 0 HE ARG A 7 -12.118 -3.487 -4.047 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.029 -5.344 -6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -12.649 -5.661 -7.363 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -14.225 -3.546 -5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -14.442 -4.652 -6.429 1.00 0.00 H new ATOM 138 N TYR A 8 -10.374 1.057 -7.413 1.00 0.00 N ATOM 139 CA TYR A 8 -10.306 2.517 -7.705 1.00 0.00 C ATOM 140 C TYR A 8 -10.808 3.322 -6.503 1.00 0.00 C ATOM 141 O TYR A 8 -11.744 2.934 -5.833 1.00 0.00 O ATOM 142 CB TYR A 8 -11.225 2.723 -8.910 1.00 0.00 C ATOM 143 CG TYR A 8 -10.393 3.024 -10.133 1.00 0.00 C ATOM 144 CD1 TYR A 8 -9.537 4.132 -10.141 1.00 0.00 C ATOM 145 CD2 TYR A 8 -10.477 2.196 -11.258 1.00 0.00 C ATOM 146 CE1 TYR A 8 -8.765 4.411 -11.276 1.00 0.00 C ATOM 147 CE2 TYR A 8 -9.705 2.475 -12.392 1.00 0.00 C ATOM 148 CZ TYR A 8 -8.849 3.582 -12.401 1.00 0.00 C ATOM 149 OH TYR A 8 -8.089 3.857 -13.519 1.00 0.00 O ATOM 0 H TYR A 8 -11.306 0.699 -7.204 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.288 2.850 -7.907 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.828 1.830 -9.078 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.917 3.543 -8.717 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.472 4.771 -9.273 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.138 1.342 -11.251 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.105 5.266 -11.283 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.770 1.836 -13.260 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.266 3.184 -14.209 1.00 0.00 H new ATOM 159 N PHE A 9 -10.193 4.438 -6.226 1.00 0.00 N ATOM 160 CA PHE A 9 -10.637 5.266 -5.066 1.00 0.00 C ATOM 161 C PHE A 9 -10.512 6.754 -5.402 1.00 0.00 C ATOM 162 O PHE A 9 -9.432 7.310 -5.415 1.00 0.00 O ATOM 163 CB PHE A 9 -9.688 4.890 -3.928 1.00 0.00 C ATOM 164 CG PHE A 9 -9.868 3.432 -3.581 1.00 0.00 C ATOM 165 CD1 PHE A 9 -11.128 2.952 -3.204 1.00 0.00 C ATOM 166 CD2 PHE A 9 -8.775 2.559 -3.637 1.00 0.00 C ATOM 167 CE1 PHE A 9 -11.296 1.600 -2.882 1.00 0.00 C ATOM 168 CE2 PHE A 9 -8.943 1.206 -3.316 1.00 0.00 C ATOM 169 CZ PHE A 9 -10.203 0.727 -2.939 1.00 0.00 C ATOM 0 H PHE A 9 -9.403 4.813 -6.751 1.00 0.00 H new ATOM 0 HA PHE A 9 -11.680 5.087 -4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.656 5.079 -4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.888 5.510 -3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -11.971 3.625 -3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.803 2.929 -3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -12.268 1.231 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.100 0.532 -3.359 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.332 -0.316 -2.692 1.00 0.00 H new ATOM 179 N TYR A 10 -11.611 7.404 -5.676 1.00 0.00 N ATOM 180 CA TYR A 10 -11.554 8.855 -6.013 1.00 0.00 C ATOM 181 C TYR A 10 -10.870 9.634 -4.886 1.00 0.00 C ATOM 182 O TYR A 10 -11.091 9.381 -3.719 1.00 0.00 O ATOM 183 CB TYR A 10 -13.014 9.287 -6.151 1.00 0.00 C ATOM 184 CG TYR A 10 -13.076 10.772 -6.418 1.00 0.00 C ATOM 185 CD1 TYR A 10 -13.103 11.675 -5.349 1.00 0.00 C ATOM 186 CD2 TYR A 10 -13.105 11.245 -7.736 1.00 0.00 C ATOM 187 CE1 TYR A 10 -13.161 13.052 -5.597 1.00 0.00 C ATOM 188 CE2 TYR A 10 -13.163 12.622 -7.984 1.00 0.00 C ATOM 189 CZ TYR A 10 -13.190 13.526 -6.914 1.00 0.00 C ATOM 190 OH TYR A 10 -13.246 14.882 -7.158 1.00 0.00 O ATOM 0 H TYR A 10 -12.545 6.993 -5.681 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.984 9.045 -6.922 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.491 8.740 -6.964 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.563 9.047 -5.241 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -13.079 11.310 -4.333 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -13.083 10.548 -8.561 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -13.183 13.749 -4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.187 12.987 -9.000 1.00 0.00 H new ATOM 0 HH TYR A 10 -13.259 15.040 -8.125 1.00 0.00 H new ATOM 200 N ASN A 11 -10.042 10.582 -5.229 1.00 0.00 N ATOM 201 CA ASN A 11 -9.343 11.380 -4.180 1.00 0.00 C ATOM 202 C ASN A 11 -9.053 12.790 -4.700 1.00 0.00 C ATOM 203 O ASN A 11 -8.047 13.031 -5.336 1.00 0.00 O ATOM 204 CB ASN A 11 -8.040 10.627 -3.912 1.00 0.00 C ATOM 205 CG ASN A 11 -7.632 10.818 -2.450 1.00 0.00 C ATOM 206 OD1 ASN A 11 -8.403 10.546 -1.552 1.00 0.00 O ATOM 207 ND2 ASN A 11 -6.442 11.276 -2.171 1.00 0.00 N ATOM 0 H ASN A 11 -9.819 10.839 -6.190 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.941 11.491 -3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.169 9.567 -4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.253 10.994 -4.571 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.160 11.405 -1.199 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.794 11.505 -2.925 1.00 0.00 H new ATOM 214 N ALA A 12 -9.927 13.721 -4.435 1.00 0.00 N ATOM 215 CA ALA A 12 -9.702 15.115 -4.915 1.00 0.00 C ATOM 216 C ALA A 12 -8.373 15.656 -4.365 1.00 0.00 C ATOM 217 O ALA A 12 -7.316 15.144 -4.674 1.00 0.00 O ATOM 218 CB ALA A 12 -10.893 15.910 -4.377 1.00 0.00 C ATOM 0 H ALA A 12 -10.788 13.578 -3.907 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.634 15.181 -6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.805 16.951 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.818 15.491 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.906 15.855 -3.288 1.00 0.00 H new ATOM 224 N LYS A 13 -8.408 16.690 -3.564 1.00 0.00 N ATOM 225 CA LYS A 13 -7.137 17.245 -3.018 1.00 0.00 C ATOM 226 C LYS A 13 -6.162 17.499 -4.165 1.00 0.00 C ATOM 227 O LYS A 13 -5.284 16.702 -4.436 1.00 0.00 O ATOM 228 CB LYS A 13 -6.599 16.163 -2.081 1.00 0.00 C ATOM 229 CG LYS A 13 -5.735 16.810 -0.997 1.00 0.00 C ATOM 230 CD LYS A 13 -4.285 16.346 -1.152 1.00 0.00 C ATOM 231 CE LYS A 13 -3.342 17.523 -0.900 1.00 0.00 C ATOM 232 NZ LYS A 13 -2.977 17.422 0.541 1.00 0.00 N ATOM 0 H LYS A 13 -9.257 17.170 -3.267 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.280 18.191 -2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.426 15.618 -1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.012 15.438 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.790 17.896 -1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.110 16.541 -0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.073 15.540 -0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.125 15.946 -2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.459 17.464 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.829 18.473 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.330 18.197 0.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.837 17.488 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.509 16.510 0.717 1.00 0.00 H new ATOM 246 N ASP A 14 -6.321 18.592 -4.855 1.00 0.00 N ATOM 247 CA ASP A 14 -5.417 18.885 -6.001 1.00 0.00 C ATOM 248 C ASP A 14 -5.676 17.877 -7.124 1.00 0.00 C ATOM 249 O ASP A 14 -4.961 17.827 -8.105 1.00 0.00 O ATOM 250 CB ASP A 14 -3.999 18.726 -5.448 1.00 0.00 C ATOM 251 CG ASP A 14 -3.027 19.560 -6.286 1.00 0.00 C ATOM 252 OD1 ASP A 14 -2.707 19.135 -7.384 1.00 0.00 O ATOM 253 OD2 ASP A 14 -2.620 20.609 -5.815 1.00 0.00 O ATOM 0 H ASP A 14 -7.038 19.295 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.573 19.881 -6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.965 19.047 -4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.705 17.677 -5.468 1.00 0.00 H new ATOM 258 N GLY A 15 -6.699 17.073 -6.987 1.00 0.00 N ATOM 259 CA GLY A 15 -7.006 16.071 -8.046 1.00 0.00 C ATOM 260 C GLY A 15 -5.950 14.964 -8.027 1.00 0.00 C ATOM 261 O GLY A 15 -4.906 15.077 -8.638 1.00 0.00 O ATOM 0 H GLY A 15 -7.333 17.069 -6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.996 15.646 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.024 16.554 -9.023 1.00 0.00 H new ATOM 265 N LEU A 16 -6.214 13.893 -7.330 1.00 0.00 N ATOM 266 CA LEU A 16 -5.227 12.778 -7.272 1.00 0.00 C ATOM 267 C LEU A 16 -5.950 11.441 -7.082 1.00 0.00 C ATOM 268 O LEU A 16 -5.659 10.691 -6.172 1.00 0.00 O ATOM 269 CB LEU A 16 -4.348 13.089 -6.061 1.00 0.00 C ATOM 270 CG LEU A 16 -3.111 12.190 -6.082 1.00 0.00 C ATOM 271 CD1 LEU A 16 -1.946 12.940 -6.731 1.00 0.00 C ATOM 272 CD2 LEU A 16 -2.736 11.808 -4.648 1.00 0.00 C ATOM 0 H LEU A 16 -7.071 13.742 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.643 12.696 -8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.049 14.137 -6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.910 12.930 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.326 11.288 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.064 12.299 -6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.213 13.214 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.730 13.842 -6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.854 11.167 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.520 12.710 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.566 11.274 -4.185 1.00 0.00 H new HETATM 284 N ABA A 17 -6.892 11.139 -7.933 1.00 0.00 N HETATM 285 CA ABA A 17 -7.633 9.852 -7.800 1.00 0.00 C HETATM 286 C ABA A 17 -6.664 8.712 -7.471 1.00 0.00 C HETATM 287 O ABA A 17 -5.892 8.282 -8.303 1.00 0.00 O HETATM 288 CB ABA A 17 -8.282 9.624 -9.166 1.00 0.00 C HETATM 289 CG ABA A 17 -9.654 8.976 -8.977 1.00 0.00 C HETATM 0 HN2 ABA A 17 -7.397 11.998 -8.152 1.00 0.00 H new HETATM 0 HG3 ABA A 17 -10.287 9.632 -8.379 1.00 0.00 H new HETATM 0 HG2 ABA A 17 -9.538 8.020 -8.466 1.00 0.00 H new HETATM 0 HG1 ABA A 17 -10.117 8.813 -9.950 1.00 0.00 H new HETATM 0 HB3 ABA A 17 -7.647 8.985 -9.780 1.00 0.00 H new HETATM 0 HB2 ABA A 17 -8.385 10.572 -9.694 1.00 0.00 H new HETATM 0 HA ABA A 17 -8.370 9.883 -6.998 1.00 0.00 H new ATOM 297 N GLN A 18 -6.699 8.223 -6.261 1.00 0.00 N ATOM 298 CA GLN A 18 -5.779 7.112 -5.881 1.00 0.00 C ATOM 299 C GLN A 18 -6.213 5.810 -6.560 1.00 0.00 C ATOM 300 O GLN A 18 -7.388 5.534 -6.698 1.00 0.00 O ATOM 301 CB GLN A 18 -5.910 6.993 -4.361 1.00 0.00 C ATOM 302 CG GLN A 18 -4.739 7.715 -3.690 1.00 0.00 C ATOM 303 CD GLN A 18 -4.925 7.686 -2.172 1.00 0.00 C ATOM 304 OE1 GLN A 18 -5.788 8.358 -1.642 1.00 0.00 O ATOM 305 NE2 GLN A 18 -4.146 6.933 -1.446 1.00 0.00 N ATOM 0 H GLN A 18 -7.323 8.544 -5.521 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.751 7.303 -6.189 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.855 7.426 -4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.920 5.943 -4.067 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.799 7.235 -3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.684 8.746 -4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.422 6.369 -1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.261 6.908 -0.433 1.00 0.00 H new ATOM 314 N THR A 19 -5.274 5.010 -6.986 1.00 0.00 N ATOM 315 CA THR A 19 -5.636 3.728 -7.655 1.00 0.00 C ATOM 316 C THR A 19 -4.841 2.570 -7.044 1.00 0.00 C ATOM 317 O THR A 19 -3.627 2.573 -7.039 1.00 0.00 O ATOM 318 CB THR A 19 -5.253 3.926 -9.123 1.00 0.00 C ATOM 319 OG1 THR A 19 -6.082 4.927 -9.695 1.00 0.00 O ATOM 320 CG2 THR A 19 -5.440 2.611 -9.881 1.00 0.00 C ATOM 0 H THR A 19 -4.273 5.188 -6.900 1.00 0.00 H new ATOM 0 HA THR A 19 -6.692 3.484 -7.538 1.00 0.00 H new ATOM 0 HB THR A 19 -4.210 4.236 -9.190 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.843 4.504 -10.144 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.167 2.752 -10.927 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.804 1.843 -9.440 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.482 2.299 -9.817 1.00 0.00 H new ATOM 328 N PHE A 20 -5.519 1.582 -6.528 1.00 0.00 N ATOM 329 CA PHE A 20 -4.802 0.425 -5.919 1.00 0.00 C ATOM 330 C PHE A 20 -5.141 -0.863 -6.671 1.00 0.00 C ATOM 331 O PHE A 20 -6.285 -1.131 -6.980 1.00 0.00 O ATOM 332 CB PHE A 20 -5.314 0.356 -4.480 1.00 0.00 C ATOM 333 CG PHE A 20 -4.920 -0.968 -3.869 1.00 0.00 C ATOM 334 CD1 PHE A 20 -3.573 -1.244 -3.608 1.00 0.00 C ATOM 335 CD2 PHE A 20 -5.901 -1.919 -3.565 1.00 0.00 C ATOM 336 CE1 PHE A 20 -3.207 -2.472 -3.043 1.00 0.00 C ATOM 337 CE2 PHE A 20 -5.536 -3.146 -3.000 1.00 0.00 C ATOM 338 CZ PHE A 20 -4.188 -3.423 -2.739 1.00 0.00 C ATOM 0 H PHE A 20 -6.537 1.525 -6.501 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.719 0.541 -5.962 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.899 1.177 -3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.398 0.469 -4.462 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.816 -0.510 -3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.940 -1.706 -3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.168 -2.685 -2.842 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.293 -3.879 -2.765 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.906 -4.370 -2.303 1.00 0.00 H new ATOM 348 N VAL A 21 -4.155 -1.664 -6.968 1.00 0.00 N ATOM 349 CA VAL A 21 -4.422 -2.937 -7.700 1.00 0.00 C ATOM 350 C VAL A 21 -3.821 -4.119 -6.938 1.00 0.00 C ATOM 351 O VAL A 21 -2.784 -4.006 -6.316 1.00 0.00 O ATOM 352 CB VAL A 21 -3.734 -2.767 -9.053 1.00 0.00 C ATOM 353 CG1 VAL A 21 -4.148 -3.909 -9.983 1.00 0.00 C ATOM 354 CG2 VAL A 21 -4.150 -1.430 -9.671 1.00 0.00 C ATOM 0 H VAL A 21 -3.176 -1.493 -6.736 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.488 -3.137 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.653 -2.784 -8.916 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.657 -3.788 -10.949 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.853 -4.862 -9.543 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.229 -3.892 -10.121 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.660 -1.307 -10.637 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.231 -1.413 -9.808 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.856 -0.616 -9.009 1.00 0.00 H new ATOM 364 N TYR A 22 -4.462 -5.253 -6.981 1.00 0.00 N ATOM 365 CA TYR A 22 -3.923 -6.442 -6.259 1.00 0.00 C ATOM 366 C TYR A 22 -4.084 -7.698 -7.119 1.00 0.00 C ATOM 367 O TYR A 22 -5.174 -8.048 -7.525 1.00 0.00 O ATOM 368 CB TYR A 22 -4.768 -6.549 -4.989 1.00 0.00 C ATOM 369 CG TYR A 22 -6.215 -6.758 -5.363 1.00 0.00 C ATOM 370 CD1 TYR A 22 -6.986 -5.678 -5.805 1.00 0.00 C ATOM 371 CD2 TYR A 22 -6.785 -8.033 -5.267 1.00 0.00 C ATOM 372 CE1 TYR A 22 -8.328 -5.872 -6.152 1.00 0.00 C ATOM 373 CE2 TYR A 22 -8.126 -8.227 -5.614 1.00 0.00 C ATOM 374 CZ TYR A 22 -8.898 -7.146 -6.057 1.00 0.00 C ATOM 375 OH TYR A 22 -10.221 -7.338 -6.399 1.00 0.00 O ATOM 0 H TYR A 22 -5.335 -5.409 -7.484 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.861 -6.345 -6.035 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.417 -7.378 -4.375 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.663 -5.643 -4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.546 -4.694 -5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.189 -8.867 -4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.924 -5.038 -6.493 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.566 -9.211 -5.540 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.457 -8.281 -6.276 1.00 0.00 H new ATOM 385 N GLY A 23 -3.006 -8.379 -7.402 1.00 0.00 N ATOM 386 CA GLY A 23 -3.101 -9.610 -8.237 1.00 0.00 C ATOM 387 C GLY A 23 -4.014 -10.627 -7.546 1.00 0.00 C ATOM 388 O GLY A 23 -4.723 -10.305 -6.613 1.00 0.00 O ATOM 0 H GLY A 23 -2.065 -8.136 -7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.494 -9.364 -9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.110 -10.038 -8.387 1.00 0.00 H new ATOM 392 N GLY A 24 -4.003 -11.852 -7.998 1.00 0.00 N ATOM 393 CA GLY A 24 -4.871 -12.886 -7.367 1.00 0.00 C ATOM 394 C GLY A 24 -4.036 -14.127 -7.043 1.00 0.00 C ATOM 395 O GLY A 24 -4.295 -15.207 -7.537 1.00 0.00 O ATOM 0 H GLY A 24 -3.431 -12.181 -8.776 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.322 -12.491 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.688 -13.150 -8.039 1.00 0.00 H new ATOM 399 N CYS A 25 -3.038 -13.982 -6.217 1.00 0.00 N ATOM 400 CA CYS A 25 -2.187 -15.152 -5.860 1.00 0.00 C ATOM 401 C CYS A 25 -1.595 -14.967 -4.460 1.00 0.00 C ATOM 402 O CYS A 25 -2.243 -15.240 -3.468 1.00 0.00 O ATOM 403 CB CYS A 25 -1.081 -15.176 -6.917 1.00 0.00 C ATOM 404 SG CYS A 25 -1.770 -15.725 -8.498 1.00 0.00 S ATOM 0 H CYS A 25 -2.774 -13.103 -5.773 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.751 -16.085 -5.843 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.644 -14.183 -7.024 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.280 -15.846 -6.605 1.00 0.00 H new HETATM 409 N NH2 A 26 -0.379 -14.509 -4.335 1.00 0.00 N TER 412 NH2 A 26 HETATM 413 CA MPT B 1 7.986 -13.329 -9.647 1.00 0.00 C HETATM 414 C MPT B 1 7.262 -11.997 -9.880 1.00 0.00 C HETATM 415 O MPT B 1 6.537 -11.833 -10.841 1.00 0.00 O HETATM 416 CB MPT B 1 7.199 -14.190 -8.663 1.00 0.00 C HETATM 417 SG MPT B 1 7.400 -13.533 -6.986 1.00 0.00 S HETATM 0 HB2 MPT B 1 6.144 -14.201 -8.936 1.00 0.00 H new HETATM 0 HB1 MPT B 1 7.550 -15.221 -8.705 1.00 0.00 H new HETATM 0 HA2 MPT B 1 8.103 -13.858 -10.593 1.00 0.00 H new HETATM 0 HA1 MPT B 1 8.988 -13.144 -9.260 1.00 0.00 H new ATOM 422 N LYS B 2 7.454 -11.050 -9.002 1.00 0.00 N ATOM 423 CA LYS B 2 6.780 -9.728 -9.161 1.00 0.00 C ATOM 424 C LYS B 2 5.337 -9.921 -9.623 1.00 0.00 C ATOM 425 O LYS B 2 4.779 -9.104 -10.329 1.00 0.00 O ATOM 426 CB LYS B 2 7.597 -8.982 -10.215 1.00 0.00 C ATOM 427 CG LYS B 2 8.114 -7.668 -9.624 1.00 0.00 C ATOM 428 CD LYS B 2 9.635 -7.738 -9.475 1.00 0.00 C ATOM 429 CE LYS B 2 9.988 -8.350 -8.118 1.00 0.00 C ATOM 430 NZ LYS B 2 10.962 -7.400 -7.510 1.00 0.00 N ATOM 0 H LYS B 2 8.050 -11.135 -8.179 1.00 0.00 H new ATOM 0 HA LYS B 2 6.736 -9.173 -8.224 1.00 0.00 H new ATOM 0 HB2 LYS B 2 8.433 -9.598 -10.546 1.00 0.00 H new ATOM 0 HB3 LYS B 2 6.982 -8.782 -11.092 1.00 0.00 H new ATOM 0 HG2 LYS B 2 7.839 -6.834 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS B 2 7.651 -7.486 -8.654 1.00 0.00 H new ATOM 0 HD2 LYS B 2 10.062 -8.338 -10.278 1.00 0.00 H new ATOM 0 HD3 LYS B 2 10.065 -6.740 -9.559 1.00 0.00 H new ATOM 0 HE2 LYS B 2 9.102 -8.462 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS B 2 10.424 -9.342 -8.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 11.252 -7.751 -6.575 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 11.797 -7.319 -8.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 10.517 -6.466 -7.406 1.00 0.00 H new ATOM 444 N ALA B 3 4.730 -10.994 -9.214 1.00 0.00 N ATOM 445 CA ALA B 3 3.315 -11.258 -9.602 1.00 0.00 C ATOM 446 C ALA B 3 2.417 -11.130 -8.371 1.00 0.00 C ATOM 447 O ALA B 3 1.789 -12.079 -7.945 1.00 0.00 O ATOM 448 CB ALA B 3 3.306 -12.694 -10.129 1.00 0.00 C ATOM 0 H ALA B 3 5.154 -11.708 -8.622 1.00 0.00 H new ATOM 0 HA ALA B 3 2.946 -10.555 -10.349 1.00 0.00 H new ATOM 0 HB1 ALA B 3 2.295 -12.963 -10.435 1.00 0.00 H new ATOM 0 HB2 ALA B 3 3.977 -12.772 -10.984 1.00 0.00 H new ATOM 0 HB3 ALA B 3 3.639 -13.372 -9.343 1.00 0.00 H new ATOM 454 N ARG B 4 2.370 -9.966 -7.783 1.00 0.00 N ATOM 455 CA ARG B 4 1.534 -9.779 -6.563 1.00 0.00 C ATOM 456 C ARG B 4 0.657 -8.529 -6.697 1.00 0.00 C ATOM 457 O ARG B 4 0.054 -8.289 -7.725 1.00 0.00 O ATOM 458 CB ARG B 4 2.546 -9.611 -5.433 1.00 0.00 C ATOM 459 CG ARG B 4 3.662 -10.650 -5.578 1.00 0.00 C ATOM 460 CD ARG B 4 4.913 -9.978 -6.147 1.00 0.00 C ATOM 461 NE ARG B 4 6.031 -10.909 -5.826 1.00 0.00 N ATOM 462 CZ ARG B 4 7.204 -10.434 -5.506 1.00 0.00 C ATOM 463 NH1 ARG B 4 7.496 -9.189 -5.762 1.00 0.00 N ATOM 464 NH2 ARG B 4 8.085 -11.206 -4.931 1.00 0.00 N ATOM 0 H ARG B 4 2.874 -9.136 -8.095 1.00 0.00 H new ATOM 0 HA ARG B 4 0.854 -10.613 -6.390 1.00 0.00 H new ATOM 0 HB2 ARG B 4 2.967 -8.606 -5.456 1.00 0.00 H new ATOM 0 HB3 ARG B 4 2.051 -9.727 -4.469 1.00 0.00 H new ATOM 0 HG2 ARG B 4 3.885 -11.097 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG B 4 3.339 -11.457 -6.235 1.00 0.00 H new ATOM 0 HD2 ARG B 4 4.824 -9.824 -7.222 1.00 0.00 H new ATOM 0 HD3 ARG B 4 5.074 -8.998 -5.697 1.00 0.00 H new ATOM 0 HE ARG B 4 5.880 -11.917 -5.856 1.00 0.00 H new ATOM 0 HH11 ARG B 4 6.808 -8.586 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG B 4 8.413 -8.818 -5.512 1.00 0.00 H new ATOM 0 HH21 ARG B 4 7.857 -12.180 -4.732 1.00 0.00 H new ATOM 0 HH22 ARG B 4 9.002 -10.835 -4.681 1.00 0.00 H new ATOM 478 N ILE B 5 0.576 -7.731 -5.665 1.00 0.00 N ATOM 479 CA ILE B 5 -0.264 -6.503 -5.736 1.00 0.00 C ATOM 480 C ILE B 5 0.570 -5.320 -6.232 1.00 0.00 C ATOM 481 O ILE B 5 1.764 -5.254 -6.012 1.00 0.00 O ATOM 482 CB ILE B 5 -0.735 -6.263 -4.302 1.00 0.00 C ATOM 483 CG1 ILE B 5 -1.579 -7.452 -3.837 1.00 0.00 C ATOM 484 CG2 ILE B 5 -1.577 -4.988 -4.247 1.00 0.00 C ATOM 485 CD1 ILE B 5 -1.810 -7.355 -2.328 1.00 0.00 C ATOM 0 H ILE B 5 1.056 -7.878 -4.777 1.00 0.00 H new ATOM 0 HA ILE B 5 -1.100 -6.613 -6.427 1.00 0.00 H new ATOM 0 HB ILE B 5 0.131 -6.154 -3.649 1.00 0.00 H new ATOM 0 HG12 ILE B 5 -2.534 -7.461 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE B 5 -1.074 -8.387 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE B 5 -1.913 -4.817 -3.224 1.00 0.00 H new ATOM 0 HG22 ILE B 5 -0.976 -4.141 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE B 5 -2.443 -5.096 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE B 5 -2.411 -8.202 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE B 5 -0.850 -7.367 -1.811 1.00 0.00 H new ATOM 0 HD13 ILE B 5 -2.334 -6.427 -2.099 1.00 0.00 H new ATOM 497 N ILE B 6 -0.047 -4.386 -6.900 1.00 0.00 N ATOM 498 CA ILE B 6 0.713 -3.208 -7.410 1.00 0.00 C ATOM 499 C ILE B 6 -0.013 -1.911 -7.044 1.00 0.00 C ATOM 500 O ILE B 6 -1.136 -1.681 -7.448 1.00 0.00 O ATOM 501 CB ILE B 6 0.755 -3.391 -8.926 1.00 0.00 C ATOM 502 CG1 ILE B 6 1.454 -4.710 -9.260 1.00 0.00 C ATOM 503 CG2 ILE B 6 1.528 -2.232 -9.559 1.00 0.00 C ATOM 504 CD1 ILE B 6 1.405 -4.948 -10.771 1.00 0.00 C ATOM 0 H ILE B 6 -1.044 -4.386 -7.115 1.00 0.00 H new ATOM 0 HA ILE B 6 1.712 -3.143 -6.980 1.00 0.00 H new ATOM 0 HB ILE B 6 -0.262 -3.407 -9.318 1.00 0.00 H new ATOM 0 HG12 ILE B 6 2.489 -4.681 -8.919 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.969 -5.533 -8.736 1.00 0.00 H new ATOM 0 HG21 ILE B 6 1.558 -2.362 -10.641 1.00 0.00 H new ATOM 0 HG22 ILE B 6 1.032 -1.291 -9.321 1.00 0.00 H new ATOM 0 HG23 ILE B 6 2.545 -2.216 -9.167 1.00 0.00 H new ATOM 0 HD11 ILE B 6 1.903 -5.888 -11.008 1.00 0.00 H new ATOM 0 HD12 ILE B 6 0.366 -4.995 -11.098 1.00 0.00 H new ATOM 0 HD13 ILE B 6 1.910 -4.130 -11.285 1.00 0.00 H new ATOM 516 N ARG B 7 0.620 -1.061 -6.284 1.00 0.00 N ATOM 517 CA ARG B 7 -0.031 0.221 -5.893 1.00 0.00 C ATOM 518 C ARG B 7 -0.055 1.185 -7.083 1.00 0.00 C ATOM 519 O ARG B 7 0.754 1.090 -7.984 1.00 0.00 O ATOM 520 CB ARG B 7 0.839 0.780 -4.768 1.00 0.00 C ATOM 521 CG ARG B 7 0.503 0.064 -3.459 1.00 0.00 C ATOM 522 CD ARG B 7 0.132 1.097 -2.393 1.00 0.00 C ATOM 523 NE ARG B 7 1.416 1.429 -1.716 1.00 0.00 N ATOM 524 CZ ARG B 7 1.675 2.662 -1.377 1.00 0.00 C ATOM 525 NH1 ARG B 7 0.712 3.443 -0.972 1.00 0.00 N ATOM 526 NH2 ARG B 7 2.898 3.114 -1.444 1.00 0.00 N ATOM 0 H ARG B 7 1.561 -1.199 -5.916 1.00 0.00 H new ATOM 0 HA ARG B 7 -1.065 0.080 -5.577 1.00 0.00 H new ATOM 0 HB2 ARG B 7 1.894 0.645 -5.008 1.00 0.00 H new ATOM 0 HB3 ARG B 7 0.671 1.852 -4.662 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -0.324 -0.629 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG B 7 1.356 -0.527 -3.126 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -0.319 1.983 -2.841 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -0.594 0.693 -1.687 1.00 0.00 H new ATOM 0 HE ARG B 7 2.093 0.692 -1.517 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -0.243 3.090 -0.920 1.00 0.00 H new ATOM 0 HH12 ARG B 7 0.914 4.407 -0.707 1.00 0.00 H new ATOM 0 HH21 ARG B 7 3.651 2.503 -1.761 1.00 0.00 H new ATOM 0 HH22 ARG B 7 3.101 4.078 -1.179 1.00 0.00 H new ATOM 540 N TYR B 8 -0.977 2.109 -7.092 1.00 0.00 N ATOM 541 CA TYR B 8 -1.054 3.078 -8.222 1.00 0.00 C ATOM 542 C TYR B 8 -1.595 4.423 -7.729 1.00 0.00 C ATOM 543 O TYR B 8 -2.247 4.502 -6.707 1.00 0.00 O ATOM 544 CB TYR B 8 -2.024 2.445 -9.222 1.00 0.00 C ATOM 545 CG TYR B 8 -1.245 1.795 -10.339 1.00 0.00 C ATOM 546 CD1 TYR B 8 -0.835 0.461 -10.224 1.00 0.00 C ATOM 547 CD2 TYR B 8 -0.934 2.526 -11.492 1.00 0.00 C ATOM 548 CE1 TYR B 8 -0.114 -0.141 -11.261 1.00 0.00 C ATOM 549 CE2 TYR B 8 -0.212 1.924 -12.529 1.00 0.00 C ATOM 550 CZ TYR B 8 0.198 0.591 -12.414 1.00 0.00 C ATOM 551 OH TYR B 8 0.909 -0.004 -13.437 1.00 0.00 O ATOM 0 H TYR B 8 -1.681 2.235 -6.365 1.00 0.00 H new ATOM 0 HA TYR B 8 -0.078 3.271 -8.667 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -2.647 1.705 -8.721 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -2.693 3.205 -9.626 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -1.075 -0.103 -9.335 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -1.251 3.554 -11.581 1.00 0.00 H new ATOM 0 HE1 TYR B 8 0.202 -1.170 -11.173 1.00 0.00 H new ATOM 0 HE2 TYR B 8 0.029 2.488 -13.418 1.00 0.00 H new ATOM 0 HH TYR B 8 1.040 0.641 -14.163 1.00 0.00 H new ATOM 561 N PHE B 9 -1.330 5.481 -8.445 1.00 0.00 N ATOM 562 CA PHE B 9 -1.830 6.818 -8.013 1.00 0.00 C ATOM 563 C PHE B 9 -2.158 7.681 -9.234 1.00 0.00 C ATOM 564 O PHE B 9 -1.388 8.533 -9.629 1.00 0.00 O ATOM 565 CB PHE B 9 -0.679 7.433 -7.217 1.00 0.00 C ATOM 566 CG PHE B 9 -0.839 7.093 -5.754 1.00 0.00 C ATOM 567 CD1 PHE B 9 -0.521 5.809 -5.296 1.00 0.00 C ATOM 568 CD2 PHE B 9 -1.305 8.061 -4.857 1.00 0.00 C ATOM 569 CE1 PHE B 9 -0.671 5.492 -3.940 1.00 0.00 C ATOM 570 CE2 PHE B 9 -1.454 7.744 -3.501 1.00 0.00 C ATOM 571 CZ PHE B 9 -1.137 6.460 -3.044 1.00 0.00 C ATOM 0 H PHE B 9 -0.789 5.478 -9.310 1.00 0.00 H new ATOM 0 HA PHE B 9 -2.743 6.745 -7.421 1.00 0.00 H new ATOM 0 HB2 PHE B 9 0.275 7.056 -7.587 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.668 8.515 -7.351 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -0.160 5.063 -5.988 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -1.550 9.052 -5.210 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -0.427 4.501 -3.586 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -1.814 8.490 -2.808 1.00 0.00 H new ATOM 0 HZ PHE B 9 -1.252 6.216 -1.998 1.00 0.00 H new ATOM 581 N TYR B 10 -3.297 7.468 -9.834 1.00 0.00 N ATOM 582 CA TYR B 10 -3.673 8.277 -11.030 1.00 0.00 C ATOM 583 C TYR B 10 -3.504 9.770 -10.734 1.00 0.00 C ATOM 584 O TYR B 10 -4.275 10.359 -10.004 1.00 0.00 O ATOM 585 CB TYR B 10 -5.143 7.944 -11.287 1.00 0.00 C ATOM 586 CG TYR B 10 -5.607 8.649 -12.538 1.00 0.00 C ATOM 587 CD1 TYR B 10 -5.275 8.133 -13.797 1.00 0.00 C ATOM 588 CD2 TYR B 10 -6.370 9.820 -12.441 1.00 0.00 C ATOM 589 CE1 TYR B 10 -5.706 8.786 -14.957 1.00 0.00 C ATOM 590 CE2 TYR B 10 -6.799 10.474 -13.602 1.00 0.00 C ATOM 591 CZ TYR B 10 -6.468 9.957 -14.860 1.00 0.00 C ATOM 592 OH TYR B 10 -6.892 10.601 -16.004 1.00 0.00 O ATOM 0 H TYR B 10 -3.984 6.770 -9.549 1.00 0.00 H new ATOM 0 HA TYR B 10 -3.047 8.052 -11.894 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -5.269 6.867 -11.396 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -5.751 8.252 -10.436 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -4.686 7.231 -13.872 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -6.627 10.218 -11.471 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.451 8.387 -15.928 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -7.386 11.378 -13.527 1.00 0.00 H new ATOM 0 HH TYR B 10 -7.410 11.396 -15.759 1.00 0.00 H new ATOM 602 N ASN B 11 -2.502 10.386 -11.300 1.00 0.00 N ATOM 603 CA ASN B 11 -2.286 11.840 -11.053 1.00 0.00 C ATOM 604 C ASN B 11 -2.895 12.664 -12.190 1.00 0.00 C ATOM 605 O ASN B 11 -3.738 12.193 -12.927 1.00 0.00 O ATOM 606 CB ASN B 11 -0.767 12.016 -11.017 1.00 0.00 C ATOM 607 CG ASN B 11 -0.398 13.052 -9.953 1.00 0.00 C ATOM 608 OD1 ASN B 11 -0.486 14.240 -10.189 1.00 0.00 O ATOM 609 ND2 ASN B 11 0.015 12.649 -8.782 1.00 0.00 N ATOM 0 H ASN B 11 -1.824 9.946 -11.922 1.00 0.00 H new ATOM 0 HA ASN B 11 -2.756 12.176 -10.129 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -0.285 11.064 -10.795 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -0.404 12.337 -11.993 1.00 0.00 H new ATOM 0 HD21 ASN B 11 0.263 13.332 -8.066 1.00 0.00 H new ATOM 0 HD22 ASN B 11 0.089 11.651 -8.583 1.00 0.00 H new ATOM 616 N ALA B 12 -2.477 13.890 -12.339 1.00 0.00 N ATOM 617 CA ALA B 12 -3.034 14.742 -13.429 1.00 0.00 C ATOM 618 C ALA B 12 -2.200 14.587 -14.703 1.00 0.00 C ATOM 619 O ALA B 12 -1.404 13.679 -14.827 1.00 0.00 O ATOM 620 CB ALA B 12 -2.946 16.173 -12.900 1.00 0.00 C ATOM 0 H ALA B 12 -1.773 14.340 -11.753 1.00 0.00 H new ATOM 0 HA ALA B 12 -4.057 14.466 -13.685 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -3.338 16.862 -13.648 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -3.531 16.259 -11.985 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -1.905 16.420 -12.690 1.00 0.00 H new ATOM 626 N LYS B 13 -2.377 15.467 -15.650 1.00 0.00 N ATOM 627 CA LYS B 13 -1.593 15.369 -16.914 1.00 0.00 C ATOM 628 C LYS B 13 -0.094 15.395 -16.605 1.00 0.00 C ATOM 629 O LYS B 13 0.358 16.117 -15.738 1.00 0.00 O ATOM 630 CB LYS B 13 -1.995 16.598 -17.728 1.00 0.00 C ATOM 631 CG LYS B 13 -2.711 16.153 -19.006 1.00 0.00 C ATOM 632 CD LYS B 13 -2.305 17.066 -20.164 1.00 0.00 C ATOM 633 CE LYS B 13 -0.790 16.997 -20.364 1.00 0.00 C ATOM 634 NZ LYS B 13 -0.292 18.356 -20.009 1.00 0.00 N ATOM 0 H LYS B 13 -3.030 16.249 -15.603 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.792 14.443 -17.454 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.648 17.241 -17.138 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -1.112 17.186 -17.979 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -2.455 15.119 -19.237 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.791 16.189 -18.862 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -2.817 16.762 -21.077 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.608 18.092 -19.955 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -0.342 16.234 -19.728 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -0.539 16.741 -21.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 0.674 18.284 -19.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -0.286 18.956 -20.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -0.915 18.778 -19.291 1.00 0.00 H new ATOM 648 N ASP B 14 0.680 14.611 -17.304 1.00 0.00 N ATOM 649 CA ASP B 14 2.147 14.592 -17.043 1.00 0.00 C ATOM 650 C ASP B 14 2.426 14.035 -15.645 1.00 0.00 C ATOM 651 O ASP B 14 3.538 14.079 -15.157 1.00 0.00 O ATOM 652 CB ASP B 14 2.587 16.053 -17.137 1.00 0.00 C ATOM 653 CG ASP B 14 3.869 16.149 -17.966 1.00 0.00 C ATOM 654 OD1 ASP B 14 4.778 15.377 -17.707 1.00 0.00 O ATOM 655 OD2 ASP B 14 3.921 16.993 -18.845 1.00 0.00 O ATOM 0 H ASP B 14 0.361 13.984 -18.043 1.00 0.00 H new ATOM 0 HA ASP B 14 2.684 13.960 -17.750 1.00 0.00 H new ATOM 0 HB2 ASP B 14 1.800 16.652 -17.595 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.756 16.458 -16.139 1.00 0.00 H new ATOM 660 N GLY B 15 1.422 13.508 -14.997 1.00 0.00 N ATOM 661 CA GLY B 15 1.624 12.946 -13.633 1.00 0.00 C ATOM 662 C GLY B 15 1.465 11.427 -13.686 1.00 0.00 C ATOM 663 O GLY B 15 0.548 10.871 -13.115 1.00 0.00 O ATOM 0 H GLY B 15 0.469 13.443 -15.355 1.00 0.00 H new ATOM 0 HA2 GLY B 15 2.615 13.207 -13.262 1.00 0.00 H new ATOM 0 HA3 GLY B 15 0.901 13.375 -12.939 1.00 0.00 H new HETATM 667 N CLH B 16 2.350 10.758 -14.373 1.00 0.00 N HETATM 668 CA CLH B 16 2.262 9.270 -14.477 1.00 0.00 C HETATM 669 CB CLH B 16 3.681 8.814 -14.819 1.00 0.00 C HETATM 670 CG CLH B 16 3.703 8.222 -16.229 1.00 0.00 C HETATM 671 CD CLH B 16 3.084 6.823 -16.205 1.00 0.00 C HETATM 672 CE CLH B 16 4.161 5.793 -15.858 1.00 0.00 C HETATM 673 NZ CLH B 16 4.305 4.961 -17.083 1.00 0.00 N HETATM 674 CH CLH B 16 4.269 3.659 -16.996 1.00 0.00 C HETATM 675 OI CLH B 16 4.118 3.102 -15.928 1.00 0.00 O HETATM 676 CI CLH B 16 4.423 2.860 -18.292 1.00 0.00 C HETATM 677 NJ CLH B 16 3.371 1.807 -18.357 1.00 0.00 N HETATM 678 CK CLH B 16 3.572 0.728 -19.064 1.00 0.00 C HETATM 679 OL CLH B 16 4.580 0.497 -19.701 1.00 0.00 O HETATM 680 C CLH B 16 1.810 8.663 -13.146 1.00 0.00 C HETATM 681 O CLH B 16 2.394 8.908 -12.110 1.00 0.00 O HETATM 682 CL CLH B 16 2.495 -0.134 -19.008 1.00 0.00 C HETATM 0 HZ CLH B 16 4.432 5.408 -17.991 1.00 0.00 H new HETATM 0 HNJ CLH B 16 2.495 1.929 -17.850 1.00 0.00 H new HETATM 0 HI2 CLH B 16 4.341 3.524 -19.153 1.00 0.00 H new HETATM 0 HI1 CLH B 16 5.412 2.404 -18.335 1.00 0.00 H new HETATM 0 HG3 CLH B 16 3.149 8.865 -16.913 1.00 0.00 H new HETATM 0 HG2 CLH B 16 4.727 8.172 -16.598 1.00 0.00 H new HETATM 0 HE3 CLH B 16 5.102 6.278 -15.597 1.00 0.00 H new HETATM 0 HE2 CLH B 16 3.866 5.187 -15.001 1.00 0.00 H new HETATM 0 HD3 CLH B 16 2.278 6.783 -15.472 1.00 0.00 H new HETATM 0 HD2 CLH B 16 2.644 6.592 -17.175 1.00 0.00 H new HETATM 0 HB3 CLH B 16 4.370 9.657 -14.757 1.00 0.00 H new HETATM 0 HB2 CLH B 16 4.019 8.071 -14.096 1.00 0.00 H new HETATM 0 HA CLH B 16 1.537 8.954 -15.227 1.00 0.00 H new HETATM 0 H CLH B 16 3.242 11.228 -14.526 1.00 0.00 H new HETATM 698 N ABA B 17 0.770 7.876 -13.169 1.00 0.00 N HETATM 699 CA ABA B 17 0.273 7.254 -11.908 1.00 0.00 C HETATM 700 C ABA B 17 1.435 6.647 -11.117 1.00 0.00 C HETATM 701 O ABA B 17 2.047 5.685 -11.536 1.00 0.00 O HETATM 702 CB ABA B 17 -0.695 6.161 -12.361 1.00 0.00 C HETATM 703 CG ABA B 17 -1.719 6.754 -13.331 1.00 0.00 C HETATM 0 HN2 ABA B 17 0.115 8.325 -13.809 1.00 0.00 H new HETATM 0 HG3 ABA B 17 -1.203 7.164 -14.199 1.00 0.00 H new HETATM 0 HG2 ABA B 17 -2.276 7.547 -12.832 1.00 0.00 H new HETATM 0 HG1 ABA B 17 -2.409 5.974 -13.654 1.00 0.00 H new HETATM 0 HB3 ABA B 17 -1.203 5.730 -11.498 1.00 0.00 H new HETATM 0 HB2 ABA B 17 -0.147 5.353 -12.844 1.00 0.00 H new HETATM 0 HA ABA B 17 -0.208 7.981 -11.253 1.00 0.00 H new ATOM 711 N GLN B 18 1.740 7.199 -9.974 1.00 0.00 N ATOM 712 CA GLN B 18 2.858 6.649 -9.156 1.00 0.00 C ATOM 713 C GLN B 18 2.506 5.240 -8.671 1.00 0.00 C ATOM 714 O GLN B 18 1.629 5.058 -7.849 1.00 0.00 O ATOM 715 CB GLN B 18 2.992 7.606 -7.971 1.00 0.00 C ATOM 716 CG GLN B 18 3.734 8.867 -8.415 1.00 0.00 C ATOM 717 CD GLN B 18 3.266 10.056 -7.575 1.00 0.00 C ATOM 718 OE1 GLN B 18 3.993 10.546 -6.733 1.00 0.00 O ATOM 719 NE2 GLN B 18 2.072 10.547 -7.770 1.00 0.00 N ATOM 0 H GLN B 18 1.264 8.006 -9.572 1.00 0.00 H new ATOM 0 HA GLN B 18 3.787 6.571 -9.721 1.00 0.00 H new ATOM 0 HB2 GLN B 18 2.006 7.868 -7.588 1.00 0.00 H new ATOM 0 HB3 GLN B 18 3.532 7.121 -7.158 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.809 8.728 -8.301 1.00 0.00 H new ATOM 0 HG3 GLN B 18 3.547 9.059 -9.472 1.00 0.00 H new ATOM 0 HE21 GLN B 18 1.461 10.137 -8.476 1.00 0.00 H new ATOM 0 HE22 GLN B 18 1.750 11.341 -7.216 1.00 0.00 H new ATOM 728 N THR B 19 3.177 4.240 -9.176 1.00 0.00 N ATOM 729 CA THR B 19 2.871 2.847 -8.743 1.00 0.00 C ATOM 730 C THR B 19 3.959 2.330 -7.799 1.00 0.00 C ATOM 731 O THR B 19 5.105 2.723 -7.881 1.00 0.00 O ATOM 732 CB THR B 19 2.848 2.028 -10.034 1.00 0.00 C ATOM 733 OG1 THR B 19 2.636 0.659 -9.720 1.00 0.00 O ATOM 734 CG2 THR B 19 4.182 2.187 -10.765 1.00 0.00 C ATOM 0 H THR B 19 3.922 4.327 -9.868 1.00 0.00 H new ATOM 0 HA THR B 19 1.928 2.783 -8.201 1.00 0.00 H new ATOM 0 HB THR B 19 2.041 2.382 -10.676 1.00 0.00 H new ATOM 0 HG1 THR B 19 2.129 0.590 -8.884 1.00 0.00 H new ATOM 0 HG21 THR B 19 4.165 1.603 -11.685 1.00 0.00 H new ATOM 0 HG22 THR B 19 4.342 3.238 -11.005 1.00 0.00 H new ATOM 0 HG23 THR B 19 4.991 1.834 -10.126 1.00 0.00 H new ATOM 742 N PHE B 20 3.609 1.447 -6.903 1.00 0.00 N ATOM 743 CA PHE B 20 4.625 0.903 -5.954 1.00 0.00 C ATOM 744 C PHE B 20 4.487 -0.618 -5.847 1.00 0.00 C ATOM 745 O PHE B 20 3.893 -1.257 -6.693 1.00 0.00 O ATOM 746 CB PHE B 20 4.318 1.563 -4.606 1.00 0.00 C ATOM 747 CG PHE B 20 4.005 3.026 -4.813 1.00 0.00 C ATOM 748 CD1 PHE B 20 4.870 3.828 -5.567 1.00 0.00 C ATOM 749 CD2 PHE B 20 2.849 3.581 -4.252 1.00 0.00 C ATOM 750 CE1 PHE B 20 4.579 5.183 -5.760 1.00 0.00 C ATOM 751 CE2 PHE B 20 2.558 4.936 -4.445 1.00 0.00 C ATOM 752 CZ PHE B 20 3.423 5.738 -5.199 1.00 0.00 C ATOM 0 H PHE B 20 2.665 1.079 -6.786 1.00 0.00 H new ATOM 0 HA PHE B 20 5.643 1.111 -6.283 1.00 0.00 H new ATOM 0 HB2 PHE B 20 3.473 1.065 -4.131 1.00 0.00 H new ATOM 0 HB3 PHE B 20 5.170 1.455 -3.935 1.00 0.00 H new ATOM 0 HD1 PHE B 20 5.762 3.401 -6.000 1.00 0.00 H new ATOM 0 HD2 PHE B 20 2.181 2.963 -3.670 1.00 0.00 H new ATOM 0 HE1 PHE B 20 5.247 5.801 -6.342 1.00 0.00 H new ATOM 0 HE2 PHE B 20 1.666 5.363 -4.012 1.00 0.00 H new ATOM 0 HZ PHE B 20 3.199 6.784 -5.348 1.00 0.00 H new ATOM 762 N VAL B 21 5.029 -1.201 -4.814 1.00 0.00 N ATOM 763 CA VAL B 21 4.928 -2.680 -4.657 1.00 0.00 C ATOM 764 C VAL B 21 4.378 -3.033 -3.271 1.00 0.00 C ATOM 765 O VAL B 21 4.439 -2.245 -2.349 1.00 0.00 O ATOM 766 CB VAL B 21 6.360 -3.194 -4.810 1.00 0.00 C ATOM 767 CG1 VAL B 21 6.871 -2.871 -6.214 1.00 0.00 C ATOM 768 CG2 VAL B 21 7.257 -2.514 -3.773 1.00 0.00 C ATOM 0 H VAL B 21 5.537 -0.719 -4.073 1.00 0.00 H new ATOM 0 HA VAL B 21 4.253 -3.125 -5.388 1.00 0.00 H new ATOM 0 HB VAL B 21 6.378 -4.273 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL B 21 7.892 -3.237 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL B 21 6.232 -3.353 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL B 21 6.854 -1.792 -6.368 1.00 0.00 H new ATOM 0 HG21 VAL B 21 8.278 -2.879 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL B 21 7.239 -1.435 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL B 21 6.893 -2.743 -2.771 1.00 0.00 H new ATOM 778 N TYR B 22 3.839 -4.213 -3.121 1.00 0.00 N ATOM 779 CA TYR B 22 3.283 -4.622 -1.799 1.00 0.00 C ATOM 780 C TYR B 22 2.739 -6.051 -1.880 1.00 0.00 C ATOM 781 O TYR B 22 1.614 -6.321 -1.510 1.00 0.00 O ATOM 782 CB TYR B 22 2.151 -3.632 -1.520 1.00 0.00 C ATOM 783 CG TYR B 22 1.556 -3.917 -0.162 1.00 0.00 C ATOM 784 CD1 TYR B 22 2.293 -3.642 0.996 1.00 0.00 C ATOM 785 CD2 TYR B 22 0.269 -4.456 -0.062 1.00 0.00 C ATOM 786 CE1 TYR B 22 1.741 -3.907 2.255 1.00 0.00 C ATOM 787 CE2 TYR B 22 -0.284 -4.720 1.198 1.00 0.00 C ATOM 788 CZ TYR B 22 0.453 -4.445 2.356 1.00 0.00 C ATOM 789 OH TYR B 22 -0.091 -4.706 3.597 1.00 0.00 O ATOM 0 H TYR B 22 3.760 -4.913 -3.859 1.00 0.00 H new ATOM 0 HA TYR B 22 4.036 -4.610 -1.011 1.00 0.00 H new ATOM 0 HB2 TYR B 22 2.530 -2.611 -1.556 1.00 0.00 H new ATOM 0 HB3 TYR B 22 1.384 -3.714 -2.290 1.00 0.00 H new ATOM 0 HD1 TYR B 22 3.287 -3.226 0.918 1.00 0.00 H new ATOM 0 HD2 TYR B 22 -0.298 -4.669 -0.956 1.00 0.00 H new ATOM 0 HE1 TYR B 22 2.309 -3.696 3.149 1.00 0.00 H new ATOM 0 HE2 TYR B 22 -1.278 -5.135 1.276 1.00 0.00 H new ATOM 0 HH TYR B 22 -0.992 -5.076 3.488 1.00 0.00 H new ATOM 799 N GLY B 23 3.530 -6.966 -2.368 1.00 0.00 N ATOM 800 CA GLY B 23 3.063 -8.377 -2.483 1.00 0.00 C ATOM 801 C GLY B 23 3.807 -9.255 -1.475 1.00 0.00 C ATOM 802 O GLY B 23 4.057 -8.861 -0.354 1.00 0.00 O ATOM 0 H GLY B 23 4.482 -6.797 -2.693 1.00 0.00 H new ATOM 0 HA2 GLY B 23 1.989 -8.430 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY B 23 3.234 -8.745 -3.495 1.00 0.00 H new ATOM 806 N GLY B 24 4.166 -10.445 -1.875 1.00 0.00 N ATOM 807 CA GLY B 24 4.897 -11.359 -0.953 1.00 0.00 C ATOM 808 C GLY B 24 5.423 -12.559 -1.745 1.00 0.00 C ATOM 809 O GLY B 24 6.575 -12.930 -1.637 1.00 0.00 O ATOM 0 H GLY B 24 3.983 -10.824 -2.804 1.00 0.00 H new ATOM 0 HA2 GLY B 24 5.724 -10.831 -0.478 1.00 0.00 H new ATOM 0 HA3 GLY B 24 4.235 -11.696 -0.156 1.00 0.00 H new ATOM 813 N CYS B 25 4.585 -13.168 -2.542 1.00 0.00 N ATOM 814 CA CYS B 25 5.031 -14.344 -3.346 1.00 0.00 C ATOM 815 C CYS B 25 5.542 -15.455 -2.424 1.00 0.00 C ATOM 816 O CYS B 25 4.868 -16.441 -2.203 1.00 0.00 O ATOM 817 CB CYS B 25 6.158 -13.818 -4.236 1.00 0.00 C ATOM 818 SG CYS B 25 5.899 -14.388 -5.936 1.00 0.00 S ATOM 0 H CYS B 25 3.609 -12.901 -2.671 1.00 0.00 H new ATOM 0 HA CYS B 25 4.219 -14.772 -3.934 1.00 0.00 H new ATOM 0 HB2 CYS B 25 6.182 -12.729 -4.206 1.00 0.00 H new ATOM 0 HB3 CYS B 25 7.122 -14.168 -3.866 1.00 0.00 H new HETATM 823 N NH2 B 26 6.719 -15.338 -1.873 1.00 0.00 N TER 826 NH2 B 26