USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 THR OG1 : rot 90:sc= 0.927 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 177:sc= 0.457 (180deg=-0.654) USER MOD Set 2.1: A 3 TYR OH : rot 30:sc= -2.68! USER MOD Set 2.2: A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 THR N :NH3+ -151:sc= -0.104 (180deg=-0.671) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00915 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -0.0462 (180deg=-0.265) USER MOD Single : A 18 LYS NZ :NH3+ -128:sc= -0.455 (180deg=-1.08) USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.278) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.32!) USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.133) USER MOD Single : A 38 THR OG1 : rot 170:sc= -0.206 USER MOD Single : A 44 THR OG1 : rot -13:sc= 0.864 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0893 USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.000215 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 2.318 -14.752 2.182 1.00 0.00 N ATOM 2 CA THR A 1 3.193 -14.911 0.991 1.00 0.00 C ATOM 3 C THR A 1 3.744 -13.568 0.525 1.00 0.00 C ATOM 4 O THR A 1 3.596 -12.556 1.209 1.00 0.00 O ATOM 5 CB THR A 1 2.382 -15.565 -0.128 1.00 0.00 C ATOM 6 OG1 THR A 1 1.438 -14.652 -0.661 1.00 0.00 O ATOM 7 CG2 THR A 1 1.627 -16.800 0.321 1.00 0.00 C ATOM 0 H1 THR A 1 2.355 -15.617 2.758 1.00 0.00 H new ATOM 0 H2 THR A 1 2.647 -13.945 2.749 1.00 0.00 H new ATOM 0 H3 THR A 1 1.339 -14.583 1.874 1.00 0.00 H new ATOM 0 HA THR A 1 4.043 -15.539 1.256 1.00 0.00 H new ATOM 0 HB THR A 1 3.113 -15.861 -0.880 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.845 -14.156 -1.402 1.00 0.00 H new ATOM 0 HG21 THR A 1 1.073 -17.214 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.333 -17.543 0.692 1.00 0.00 H new ATOM 0 HG23 THR A 1 0.931 -16.532 1.116 1.00 0.00 H new ATOM 17 N THR A 2 4.380 -13.563 -0.641 1.00 0.00 N ATOM 18 CA THR A 2 4.955 -12.344 -1.195 1.00 0.00 C ATOM 19 C THR A 2 3.867 -11.430 -1.753 1.00 0.00 C ATOM 20 O THR A 2 3.156 -11.797 -2.690 1.00 0.00 O ATOM 21 CB THR A 2 5.966 -12.690 -2.294 1.00 0.00 C ATOM 22 OG1 THR A 2 6.627 -13.905 -2.001 1.00 0.00 O ATOM 23 CG2 THR A 2 7.026 -11.627 -2.487 1.00 0.00 C ATOM 0 H THR A 2 4.510 -14.391 -1.222 1.00 0.00 H new ATOM 0 HA THR A 2 5.467 -11.814 -0.392 1.00 0.00 H new ATOM 0 HB THR A 2 5.381 -12.769 -3.210 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.267 -14.110 -2.715 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.709 -11.934 -3.279 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.551 -10.685 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.582 -11.495 -1.559 1.00 0.00 H new ATOM 31 N TYR A 3 3.746 -10.245 -1.172 1.00 0.00 N ATOM 32 CA TYR A 3 2.745 -9.278 -1.610 1.00 0.00 C ATOM 33 C TYR A 3 3.365 -8.226 -2.524 1.00 0.00 C ATOM 34 O TYR A 3 4.563 -7.951 -2.443 1.00 0.00 O ATOM 35 CB TYR A 3 2.109 -8.589 -0.403 1.00 0.00 C ATOM 36 CG TYR A 3 1.001 -9.381 0.250 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.979 -10.769 0.200 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.026 -8.730 0.917 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.038 -11.486 0.799 1.00 0.00 C ATOM 40 CE2 TYR A 3 -1.047 -9.439 1.518 1.00 0.00 C ATOM 41 CZ TYR A 3 -1.049 -10.817 1.456 1.00 0.00 C ATOM 42 OH TYR A 3 -2.064 -11.528 2.054 1.00 0.00 O ATOM 0 H TYR A 3 4.328 -9.928 -0.396 1.00 0.00 H new ATOM 0 HA TYR A 3 1.979 -9.819 -2.166 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.884 -8.391 0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.713 -7.623 -0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.769 -11.295 -0.315 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.027 -7.651 0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.041 -12.565 0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.840 -8.918 2.034 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.724 -12.399 2.347 1.00 0.00 H new ATOM 52 N LYS A 4 2.541 -7.636 -3.386 1.00 0.00 N ATOM 53 CA LYS A 4 3.009 -6.609 -4.314 1.00 0.00 C ATOM 54 C LYS A 4 2.142 -5.352 -4.230 1.00 0.00 C ATOM 55 O LYS A 4 0.915 -5.435 -4.180 1.00 0.00 O ATOM 56 CB LYS A 4 3.006 -7.148 -5.745 1.00 0.00 C ATOM 57 CG LYS A 4 4.324 -7.784 -6.159 1.00 0.00 C ATOM 58 CD LYS A 4 4.135 -8.750 -7.318 1.00 0.00 C ATOM 59 CE LYS A 4 4.393 -8.075 -8.656 1.00 0.00 C ATOM 60 NZ LYS A 4 5.657 -8.549 -9.285 1.00 0.00 N ATOM 0 H LYS A 4 1.547 -7.851 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 4 4.028 -6.342 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.209 -7.885 -5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.774 -6.333 -6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.031 -7.005 -6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.757 -8.313 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.811 -9.597 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.120 -9.147 -7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.558 -8.271 -9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.441 -6.995 -8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.795 -8.064 -10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.458 -8.339 -8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.602 -9.575 -9.444 1.00 0.00 H new ATOM 74 N LEU A 5 2.790 -4.190 -4.217 1.00 0.00 N ATOM 75 CA LEU A 5 2.082 -2.914 -4.143 1.00 0.00 C ATOM 76 C LEU A 5 2.375 -2.043 -5.342 1.00 0.00 C ATOM 77 O LEU A 5 3.506 -1.988 -5.827 1.00 0.00 O ATOM 78 CB LEU A 5 2.482 -2.103 -2.909 1.00 0.00 C ATOM 79 CG LEU A 5 1.604 -0.869 -2.644 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.128 -1.226 -2.688 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.960 -0.227 -1.314 1.00 0.00 C ATOM 0 H LEU A 5 3.806 -4.105 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 5 1.025 -3.176 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.446 -2.753 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.517 -1.779 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 5 1.799 -0.146 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.468 -0.334 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.121 -1.625 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.088 -1.976 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.326 0.644 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.805 -0.946 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.005 0.083 -1.328 1.00 0.00 H new ATOM 93 N ILE A 6 1.364 -1.315 -5.776 1.00 0.00 N ATOM 94 CA ILE A 6 1.529 -0.391 -6.870 1.00 0.00 C ATOM 95 C ILE A 6 0.781 0.898 -6.559 1.00 0.00 C ATOM 96 O ILE A 6 -0.442 0.896 -6.418 1.00 0.00 O ATOM 97 CB ILE A 6 1.023 -0.974 -8.204 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.623 -2.363 -8.439 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.363 -0.039 -9.355 1.00 0.00 C ATOM 100 CD1 ILE A 6 3.125 -2.351 -8.620 1.00 0.00 C ATOM 0 H ILE A 6 0.423 -1.349 -5.385 1.00 0.00 H new ATOM 0 HA ILE A 6 2.595 -0.194 -6.982 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.061 -1.072 -8.153 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.372 -3.006 -7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.162 -2.804 -9.323 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.999 -0.465 -10.290 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.890 0.929 -9.189 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.444 0.090 -9.412 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.480 -3.369 -8.782 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.383 -1.735 -9.482 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.596 -1.940 -7.727 1.00 0.00 H new ATOM 112 N LEU A 7 1.519 1.993 -6.434 1.00 0.00 N ATOM 113 CA LEU A 7 0.913 3.278 -6.119 1.00 0.00 C ATOM 114 C LEU A 7 0.691 4.099 -7.378 1.00 0.00 C ATOM 115 O LEU A 7 1.593 4.250 -8.204 1.00 0.00 O ATOM 116 CB LEU A 7 1.785 4.058 -5.134 1.00 0.00 C ATOM 117 CG LEU A 7 2.173 3.296 -3.863 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.209 2.225 -4.172 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.697 4.259 -2.807 1.00 0.00 C ATOM 0 H LEU A 7 2.533 2.017 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.055 3.085 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.696 4.367 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.257 4.967 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 7 1.282 2.804 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.470 1.696 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.798 1.519 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.102 2.692 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.968 3.703 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.575 4.778 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.923 4.987 -2.562 1.00 0.00 H new ATOM 131 N ASN A 8 -0.519 4.627 -7.516 1.00 0.00 N ATOM 132 CA ASN A 8 -0.870 5.436 -8.678 1.00 0.00 C ATOM 133 C ASN A 8 -1.475 6.771 -8.255 1.00 0.00 C ATOM 134 O ASN A 8 -2.683 6.879 -8.043 1.00 0.00 O ATOM 135 CB ASN A 8 -1.848 4.679 -9.580 1.00 0.00 C ATOM 136 CG ASN A 8 -1.185 4.158 -10.841 1.00 0.00 C ATOM 137 OD1 ASN A 8 -1.096 2.949 -11.055 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.718 5.071 -11.683 1.00 0.00 N ATOM 0 H ASN A 8 -1.273 4.510 -6.839 1.00 0.00 H new ATOM 0 HA ASN A 8 0.045 5.636 -9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.277 3.844 -9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.672 5.338 -9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.263 4.781 -12.549 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.814 6.063 -11.465 1.00 0.00 H new ATOM 145 N LEU A 9 -0.625 7.787 -8.140 1.00 0.00 N ATOM 146 CA LEU A 9 -1.072 9.120 -7.749 1.00 0.00 C ATOM 147 C LEU A 9 -0.937 10.093 -8.919 1.00 0.00 C ATOM 148 O LEU A 9 -0.790 9.677 -10.069 1.00 0.00 O ATOM 149 CB LEU A 9 -0.268 9.621 -6.533 1.00 0.00 C ATOM 150 CG LEU A 9 1.112 10.208 -6.852 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.701 10.878 -5.622 1.00 0.00 C ATOM 152 CD2 LEU A 9 2.045 9.123 -7.366 1.00 0.00 C ATOM 0 H LEU A 9 0.378 7.713 -8.312 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.124 9.064 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.856 10.380 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.139 8.792 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 9 0.996 10.960 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.681 11.289 -5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.041 11.681 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.804 10.144 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.020 9.557 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.156 8.349 -6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.628 8.684 -8.273 1.00 0.00 H new ATOM 164 N LYS A 10 -0.987 11.387 -8.622 1.00 0.00 N ATOM 165 CA LYS A 10 -0.871 12.413 -9.654 1.00 0.00 C ATOM 166 C LYS A 10 0.583 12.833 -9.847 1.00 0.00 C ATOM 167 O LYS A 10 0.879 14.015 -10.010 1.00 0.00 O ATOM 168 CB LYS A 10 -1.731 13.628 -9.289 1.00 0.00 C ATOM 169 CG LYS A 10 -2.861 13.889 -10.272 1.00 0.00 C ATOM 170 CD LYS A 10 -2.565 15.087 -11.159 1.00 0.00 C ATOM 171 CE LYS A 10 -3.389 15.048 -12.433 1.00 0.00 C ATOM 172 NZ LYS A 10 -4.615 15.881 -12.333 1.00 0.00 N ATOM 0 H LYS A 10 -1.107 11.751 -7.677 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.230 11.994 -10.594 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.152 13.479 -8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.094 14.511 -9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.016 13.006 -10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.788 14.061 -9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.778 16.007 -10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.504 15.103 -11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.781 15.397 -13.268 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.669 14.017 -12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.147 15.825 -13.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.209 15.533 -11.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.349 16.870 -12.150 1.00 0.00 H new ATOM 186 N GLN A 11 1.485 11.856 -9.828 1.00 0.00 N ATOM 187 CA GLN A 11 2.908 12.126 -10.011 1.00 0.00 C ATOM 188 C GLN A 11 3.565 11.033 -10.846 1.00 0.00 C ATOM 189 O GLN A 11 3.906 11.247 -12.014 1.00 0.00 O ATOM 190 CB GLN A 11 3.607 12.232 -8.655 1.00 0.00 C ATOM 191 CG GLN A 11 3.143 13.416 -7.821 1.00 0.00 C ATOM 192 CD GLN A 11 4.182 14.513 -7.735 1.00 0.00 C ATOM 193 OE1 GLN A 11 4.381 15.268 -8.685 1.00 0.00 O ATOM 194 NE2 GLN A 11 4.853 14.607 -6.592 1.00 0.00 N ATOM 0 H GLN A 11 1.257 10.872 -9.688 1.00 0.00 H new ATOM 0 HA GLN A 11 3.007 13.074 -10.540 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.434 11.313 -8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.682 12.310 -8.815 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.227 13.822 -8.251 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.898 13.073 -6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.655 13.959 -5.830 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.566 15.327 -6.477 1.00 0.00 H new ATOM 203 N ALA A 12 3.743 9.864 -10.248 1.00 0.00 N ATOM 204 CA ALA A 12 4.353 8.730 -10.928 1.00 0.00 C ATOM 205 C ALA A 12 3.886 7.411 -10.327 1.00 0.00 C ATOM 206 O ALA A 12 2.913 7.375 -9.574 1.00 0.00 O ATOM 207 CB ALA A 12 5.874 8.836 -10.869 1.00 0.00 C ATOM 0 H ALA A 12 3.471 9.675 -9.283 1.00 0.00 H new ATOM 0 HA ALA A 12 4.039 8.751 -11.971 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.318 7.982 -11.381 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.194 9.757 -11.356 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.198 8.844 -9.828 1.00 0.00 H new ATOM 213 N LYS A 13 4.576 6.327 -10.655 1.00 0.00 N ATOM 214 CA LYS A 13 4.225 5.007 -10.141 1.00 0.00 C ATOM 215 C LYS A 13 5.267 4.532 -9.137 1.00 0.00 C ATOM 216 O LYS A 13 6.456 4.806 -9.273 1.00 0.00 O ATOM 217 CB LYS A 13 4.120 3.997 -11.301 1.00 0.00 C ATOM 218 CG LYS A 13 5.411 3.846 -12.091 1.00 0.00 C ATOM 219 CD LYS A 13 5.219 4.200 -13.560 1.00 0.00 C ATOM 220 CE LYS A 13 4.223 3.263 -14.225 1.00 0.00 C ATOM 221 NZ LYS A 13 4.669 1.843 -14.165 1.00 0.00 N ATOM 0 H LYS A 13 5.385 6.335 -11.277 1.00 0.00 H new ATOM 0 HA LYS A 13 3.260 5.077 -9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.832 3.025 -10.901 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.325 4.312 -11.976 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.179 4.488 -11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.770 2.820 -12.008 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.868 5.228 -13.646 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.176 4.145 -14.078 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.253 3.359 -13.738 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.087 3.557 -15.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.099 1.272 -14.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.672 1.782 -14.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.547 1.482 -13.197 1.00 0.00 H new ATOM 235 N GLU A 14 4.805 3.812 -8.119 1.00 0.00 N ATOM 236 CA GLU A 14 5.694 3.293 -7.085 1.00 0.00 C ATOM 237 C GLU A 14 5.398 1.821 -6.810 1.00 0.00 C ATOM 238 O GLU A 14 4.302 1.338 -7.089 1.00 0.00 O ATOM 239 CB GLU A 14 5.552 4.113 -5.798 1.00 0.00 C ATOM 240 CG GLU A 14 6.690 5.095 -5.578 1.00 0.00 C ATOM 241 CD GLU A 14 6.426 6.446 -6.215 1.00 0.00 C ATOM 242 OE1 GLU A 14 5.304 6.970 -6.052 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.339 6.977 -6.873 1.00 0.00 O ATOM 0 H GLU A 14 3.822 3.575 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 14 6.721 3.377 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.610 4.661 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.499 3.434 -4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.849 5.227 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.610 4.678 -5.988 1.00 0.00 H new ATOM 250 N GLU A 15 6.386 1.111 -6.273 1.00 0.00 N ATOM 251 CA GLU A 15 6.228 -0.309 -5.976 1.00 0.00 C ATOM 252 C GLU A 15 6.540 -0.613 -4.511 1.00 0.00 C ATOM 253 O GLU A 15 7.182 0.181 -3.823 1.00 0.00 O ATOM 254 CB GLU A 15 7.136 -1.140 -6.886 1.00 0.00 C ATOM 255 CG GLU A 15 7.140 -0.672 -8.333 1.00 0.00 C ATOM 256 CD GLU A 15 7.588 -1.754 -9.296 1.00 0.00 C ATOM 257 OE1 GLU A 15 8.552 -2.477 -8.968 1.00 0.00 O ATOM 258 OE2 GLU A 15 6.973 -1.878 -10.374 1.00 0.00 O ATOM 0 H GLU A 15 7.301 1.494 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 15 5.187 -0.575 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.154 -1.105 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.817 -2.182 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.138 -0.340 -8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.799 0.191 -8.430 1.00 0.00 H new ATOM 265 N ALA A 16 6.086 -1.774 -4.049 1.00 0.00 N ATOM 266 CA ALA A 16 6.310 -2.208 -2.681 1.00 0.00 C ATOM 267 C ALA A 16 6.002 -3.695 -2.559 1.00 0.00 C ATOM 268 O ALA A 16 5.076 -4.198 -3.190 1.00 0.00 O ATOM 269 CB ALA A 16 5.439 -1.400 -1.712 1.00 0.00 C ATOM 0 H ALA A 16 5.554 -2.436 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 16 7.355 -2.038 -2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.620 -1.738 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.689 -0.342 -1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.388 -1.544 -1.961 1.00 0.00 H new ATOM 275 N ILE A 17 6.783 -4.393 -1.754 1.00 0.00 N ATOM 276 CA ILE A 17 6.588 -5.826 -1.562 1.00 0.00 C ATOM 277 C ILE A 17 6.797 -6.232 -0.114 1.00 0.00 C ATOM 278 O ILE A 17 7.749 -5.795 0.532 1.00 0.00 O ATOM 279 CB ILE A 17 7.540 -6.662 -2.431 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.961 -6.083 -2.390 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.027 -6.750 -3.861 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.137 -4.828 -3.220 1.00 0.00 C ATOM 0 H ILE A 17 7.557 -3.996 -1.222 1.00 0.00 H new ATOM 0 HA ILE A 17 5.558 -6.023 -1.859 1.00 0.00 H new ATOM 0 HB ILE A 17 7.576 -7.673 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.223 -5.862 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.662 -6.840 -2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.716 -7.346 -4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.043 -7.219 -3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.954 -5.748 -4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.167 -4.480 -3.140 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.908 -5.047 -4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.463 -4.053 -2.855 1.00 0.00 H new ATOM 294 N LYS A 18 5.907 -7.080 0.388 1.00 0.00 N ATOM 295 CA LYS A 18 6.001 -7.549 1.764 1.00 0.00 C ATOM 296 C LYS A 18 5.592 -9.014 1.867 1.00 0.00 C ATOM 297 O LYS A 18 4.630 -9.448 1.233 1.00 0.00 O ATOM 298 CB LYS A 18 5.122 -6.690 2.685 1.00 0.00 C ATOM 299 CG LYS A 18 4.834 -5.304 2.138 1.00 0.00 C ATOM 300 CD LYS A 18 5.940 -4.301 2.456 1.00 0.00 C ATOM 301 CE LYS A 18 6.396 -4.381 3.905 1.00 0.00 C ATOM 302 NZ LYS A 18 7.590 -5.256 4.069 1.00 0.00 N ATOM 0 H LYS A 18 5.116 -7.455 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 18 7.040 -7.458 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.178 -7.207 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.612 -6.594 3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.704 -5.365 1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.893 -4.943 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.791 -4.482 1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.584 -3.293 2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.628 -3.380 4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.581 -4.761 4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.405 -5.960 4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.789 -5.744 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.411 -4.676 4.337 1.00 0.00 H new ATOM 316 N GLU A 19 6.331 -9.775 2.668 1.00 0.00 N ATOM 317 CA GLU A 19 6.045 -11.189 2.854 1.00 0.00 C ATOM 318 C GLU A 19 5.402 -11.444 4.213 1.00 0.00 C ATOM 319 O GLU A 19 5.999 -11.174 5.254 1.00 0.00 O ATOM 320 CB GLU A 19 7.332 -12.013 2.720 1.00 0.00 C ATOM 321 CG GLU A 19 7.169 -13.253 1.865 1.00 0.00 C ATOM 322 CD GLU A 19 8.221 -14.302 2.163 1.00 0.00 C ATOM 323 OE1 GLU A 19 7.989 -15.143 3.061 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.280 -14.295 1.498 1.00 0.00 O ATOM 0 H GLU A 19 7.133 -9.434 3.198 1.00 0.00 H new ATOM 0 HA GLU A 19 5.342 -11.496 2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.113 -11.385 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.670 -12.308 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.179 -13.678 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.225 -12.975 0.812 1.00 0.00 H new ATOM 331 N ALA A 20 4.183 -11.976 4.194 1.00 0.00 N ATOM 332 CA ALA A 20 3.459 -12.277 5.424 1.00 0.00 C ATOM 333 C ALA A 20 2.109 -12.918 5.126 1.00 0.00 C ATOM 334 O ALA A 20 1.380 -12.480 4.238 1.00 0.00 O ATOM 335 CB ALA A 20 3.266 -11.007 6.241 1.00 0.00 C ATOM 0 H ALA A 20 3.676 -12.207 3.340 1.00 0.00 H new ATOM 0 HA ALA A 20 4.051 -12.988 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.724 -11.243 7.157 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.239 -10.585 6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.696 -10.283 5.659 1.00 0.00 H new ATOM 341 N VAL A 21 1.785 -13.973 5.871 1.00 0.00 N ATOM 342 CA VAL A 21 0.523 -14.681 5.686 1.00 0.00 C ATOM 343 C VAL A 21 -0.659 -13.790 6.047 1.00 0.00 C ATOM 344 O VAL A 21 -1.747 -13.918 5.486 1.00 0.00 O ATOM 345 CB VAL A 21 0.465 -15.959 6.540 1.00 0.00 C ATOM 346 CG1 VAL A 21 0.560 -15.629 8.020 1.00 0.00 C ATOM 347 CG2 VAL A 21 -0.800 -16.754 6.240 1.00 0.00 C ATOM 0 H VAL A 21 2.379 -14.355 6.607 1.00 0.00 H new ATOM 0 HA VAL A 21 0.464 -14.955 4.633 1.00 0.00 H new ATOM 0 HB VAL A 21 1.323 -16.578 6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.517 -16.550 8.602 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.502 -15.118 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.270 -14.982 8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.819 -17.653 6.856 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.675 -16.143 6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.812 -17.035 5.187 1.00 0.00 H new ATOM 357 N ASP A 22 -0.435 -12.879 6.988 1.00 0.00 N ATOM 358 CA ASP A 22 -1.473 -11.958 7.427 1.00 0.00 C ATOM 359 C ASP A 22 -1.514 -10.730 6.527 1.00 0.00 C ATOM 360 O ASP A 22 -0.804 -9.752 6.757 1.00 0.00 O ATOM 361 CB ASP A 22 -1.234 -11.538 8.878 1.00 0.00 C ATOM 362 CG ASP A 22 -2.072 -12.337 9.856 1.00 0.00 C ATOM 363 OD1 ASP A 22 -2.231 -13.557 9.643 1.00 0.00 O ATOM 364 OD2 ASP A 22 -2.570 -11.743 10.836 1.00 0.00 O ATOM 0 H ASP A 22 0.460 -12.760 7.462 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.434 -12.469 7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.179 -11.664 9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.463 -10.478 8.989 1.00 0.00 H new ATOM 369 N ALA A 23 -2.348 -10.796 5.495 1.00 0.00 N ATOM 370 CA ALA A 23 -2.492 -9.699 4.539 1.00 0.00 C ATOM 371 C ALA A 23 -2.566 -8.344 5.242 1.00 0.00 C ATOM 372 O ALA A 23 -2.134 -7.328 4.696 1.00 0.00 O ATOM 373 CB ALA A 23 -3.727 -9.917 3.677 1.00 0.00 C ATOM 0 H ALA A 23 -2.939 -11.603 5.297 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.607 -9.691 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.826 -9.095 2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.629 -10.856 3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.612 -9.957 4.312 1.00 0.00 H new ATOM 379 N GLY A 24 -3.114 -8.337 6.452 1.00 0.00 N ATOM 380 CA GLY A 24 -3.231 -7.101 7.203 1.00 0.00 C ATOM 381 C GLY A 24 -1.881 -6.456 7.470 1.00 0.00 C ATOM 382 O GLY A 24 -1.783 -5.237 7.632 1.00 0.00 O ATOM 0 H GLY A 24 -3.479 -9.164 6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.862 -6.403 6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.729 -7.301 8.152 1.00 0.00 H new ATOM 386 N ILE A 25 -0.838 -7.275 7.515 1.00 0.00 N ATOM 387 CA ILE A 25 0.509 -6.779 7.765 1.00 0.00 C ATOM 388 C ILE A 25 1.021 -5.968 6.578 1.00 0.00 C ATOM 389 O ILE A 25 1.622 -4.905 6.754 1.00 0.00 O ATOM 390 CB ILE A 25 1.492 -7.937 8.067 1.00 0.00 C ATOM 391 CG1 ILE A 25 1.173 -8.577 9.423 1.00 0.00 C ATOM 392 CG2 ILE A 25 2.934 -7.445 8.046 1.00 0.00 C ATOM 393 CD1 ILE A 25 1.069 -7.580 10.557 1.00 0.00 C ATOM 0 H ILE A 25 -0.899 -8.284 7.382 1.00 0.00 H new ATOM 0 HA ILE A 25 0.456 -6.133 8.641 1.00 0.00 H new ATOM 0 HB ILE A 25 1.373 -8.690 7.288 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.233 -9.124 9.345 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.947 -9.306 9.662 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.605 -8.276 8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.165 -7.037 7.062 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.065 -6.669 8.800 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.841 -8.106 11.484 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.015 -7.050 10.663 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.275 -6.865 10.341 1.00 0.00 H new ATOM 405 N ALA A 26 0.791 -6.470 5.368 1.00 0.00 N ATOM 406 CA ALA A 26 1.247 -5.775 4.174 1.00 0.00 C ATOM 407 C ALA A 26 0.522 -4.452 3.986 1.00 0.00 C ATOM 408 O ALA A 26 1.149 -3.444 3.677 1.00 0.00 O ATOM 409 CB ALA A 26 1.093 -6.636 2.935 1.00 0.00 C ATOM 0 H ALA A 26 0.297 -7.345 5.192 1.00 0.00 H new ATOM 0 HA ALA A 26 2.307 -5.567 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.444 -6.084 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.681 -7.546 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.043 -6.897 2.801 1.00 0.00 H new ATOM 415 N GLU A 27 -0.798 -4.445 4.176 1.00 0.00 N ATOM 416 CA GLU A 27 -1.556 -3.203 4.019 1.00 0.00 C ATOM 417 C GLU A 27 -0.993 -2.143 4.955 1.00 0.00 C ATOM 418 O GLU A 27 -1.008 -0.953 4.645 1.00 0.00 O ATOM 419 CB GLU A 27 -3.054 -3.390 4.285 1.00 0.00 C ATOM 420 CG GLU A 27 -3.360 -3.893 5.676 1.00 0.00 C ATOM 421 CD GLU A 27 -4.799 -4.345 5.830 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.269 -5.132 4.981 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.456 -3.913 6.800 1.00 0.00 O ATOM 0 H GLU A 27 -1.353 -5.262 4.432 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.452 -2.885 2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.564 -2.439 4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.460 -4.091 3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.695 -4.724 5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.152 -3.103 6.398 1.00 0.00 H new ATOM 430 N LYS A 28 -0.477 -2.592 6.100 1.00 0.00 N ATOM 431 CA LYS A 28 0.113 -1.684 7.074 1.00 0.00 C ATOM 432 C LYS A 28 1.371 -1.034 6.504 1.00 0.00 C ATOM 433 O LYS A 28 1.598 0.158 6.694 1.00 0.00 O ATOM 434 CB LYS A 28 0.447 -2.428 8.368 1.00 0.00 C ATOM 435 CG LYS A 28 -0.763 -3.062 9.029 1.00 0.00 C ATOM 436 CD LYS A 28 -1.312 -2.190 10.148 1.00 0.00 C ATOM 437 CE LYS A 28 -2.831 -2.163 10.140 1.00 0.00 C ATOM 438 NZ LYS A 28 -3.362 -0.776 10.034 1.00 0.00 N ATOM 0 H LYS A 28 -0.457 -3.575 6.371 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.614 -0.904 7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.182 -3.204 8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.912 -1.734 9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.540 -3.229 8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.490 -4.039 9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.959 -2.565 11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.929 -1.175 10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.200 -2.758 9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.207 -2.627 11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.317 -0.738 10.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.738 -0.125 10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.402 -0.495 9.033 1.00 0.00 H new ATOM 452 N TYR A 29 2.178 -1.823 5.793 1.00 0.00 N ATOM 453 CA TYR A 29 3.407 -1.310 5.184 1.00 0.00 C ATOM 454 C TYR A 29 3.120 -0.651 3.870 1.00 0.00 C ATOM 455 O TYR A 29 3.734 0.349 3.496 1.00 0.00 O ATOM 456 CB TYR A 29 4.403 -2.427 4.949 1.00 0.00 C ATOM 457 CG TYR A 29 5.325 -2.570 6.134 1.00 0.00 C ATOM 458 CD1 TYR A 29 5.932 -1.434 6.647 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.577 -3.787 6.749 1.00 0.00 C ATOM 460 CE1 TYR A 29 6.758 -1.494 7.725 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.414 -3.861 7.846 1.00 0.00 C ATOM 462 CZ TYR A 29 7.008 -2.709 8.335 1.00 0.00 C ATOM 463 OH TYR A 29 7.839 -2.776 9.422 1.00 0.00 O ATOM 0 H TYR A 29 2.005 -2.814 5.625 1.00 0.00 H new ATOM 0 HA TYR A 29 3.827 -0.582 5.878 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.874 -3.364 4.777 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.985 -2.220 4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.744 -0.479 6.179 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.115 -4.685 6.367 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.218 -0.594 8.104 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.604 -4.813 8.320 1.00 0.00 H new ATOM 0 HH TYR A 29 7.904 -3.705 9.727 1.00 0.00 H new ATOM 473 N PHE A 30 2.164 -1.216 3.191 1.00 0.00 N ATOM 474 CA PHE A 30 1.736 -0.715 1.925 1.00 0.00 C ATOM 475 C PHE A 30 1.154 0.662 2.153 1.00 0.00 C ATOM 476 O PHE A 30 1.326 1.573 1.346 1.00 0.00 O ATOM 477 CB PHE A 30 0.711 -1.684 1.341 1.00 0.00 C ATOM 478 CG PHE A 30 1.311 -2.972 0.827 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.661 -3.087 0.544 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.502 -4.046 0.577 1.00 0.00 C ATOM 481 CE1 PHE A 30 3.180 -4.251 0.023 1.00 0.00 C ATOM 482 CE2 PHE A 30 1.005 -5.217 0.044 1.00 0.00 C ATOM 483 CZ PHE A 30 2.351 -5.316 -0.236 1.00 0.00 C ATOM 0 H PHE A 30 1.658 -2.044 3.506 1.00 0.00 H new ATOM 0 HA PHE A 30 2.558 -0.633 1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.029 -1.919 2.106 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.182 -1.190 0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.317 -2.251 0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.552 -3.977 0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.238 -4.327 -0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.347 -6.051 -0.152 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.752 -6.226 -0.657 1.00 0.00 H new ATOM 493 N LYS A 31 0.508 0.807 3.307 1.00 0.00 N ATOM 494 CA LYS A 31 -0.058 2.072 3.716 1.00 0.00 C ATOM 495 C LYS A 31 0.992 2.853 4.501 1.00 0.00 C ATOM 496 O LYS A 31 0.919 4.078 4.600 1.00 0.00 O ATOM 497 CB LYS A 31 -1.328 1.864 4.554 1.00 0.00 C ATOM 498 CG LYS A 31 -1.068 1.446 5.995 1.00 0.00 C ATOM 499 CD LYS A 31 -2.336 0.949 6.668 1.00 0.00 C ATOM 500 CE LYS A 31 -3.352 2.067 6.837 1.00 0.00 C ATOM 501 NZ LYS A 31 -4.727 1.542 7.067 1.00 0.00 N ATOM 0 H LYS A 31 0.367 0.050 3.976 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.346 2.640 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.904 2.789 4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.945 1.105 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.312 0.661 6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.666 2.291 6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.773 0.145 6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.091 0.528 7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.060 2.698 7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.349 2.697 5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.388 2.337 7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.017 0.960 6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.737 0.961 7.930 1.00 0.00 H new ATOM 515 N LEU A 32 1.991 2.137 5.044 1.00 0.00 N ATOM 516 CA LEU A 32 3.060 2.801 5.795 1.00 0.00 C ATOM 517 C LEU A 32 3.858 3.709 4.865 1.00 0.00 C ATOM 518 O LEU A 32 4.114 4.871 5.185 1.00 0.00 O ATOM 519 CB LEU A 32 3.983 1.794 6.498 1.00 0.00 C ATOM 520 CG LEU A 32 4.593 2.298 7.808 1.00 0.00 C ATOM 521 CD1 LEU A 32 3.512 2.492 8.859 1.00 0.00 C ATOM 522 CD2 LEU A 32 5.655 1.331 8.304 1.00 0.00 C ATOM 0 H LEU A 32 2.078 1.123 4.978 1.00 0.00 H new ATOM 0 HA LEU A 32 2.596 3.404 6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.419 0.884 6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.790 1.523 5.817 1.00 0.00 H new ATOM 0 HG LEU A 32 5.066 3.262 7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.964 2.851 9.784 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.785 3.222 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.010 1.542 9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.079 1.703 9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.205 0.353 8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.443 1.242 7.557 1.00 0.00 H new ATOM 534 N ILE A 33 4.228 3.185 3.696 1.00 0.00 N ATOM 535 CA ILE A 33 4.971 3.968 2.721 1.00 0.00 C ATOM 536 C ILE A 33 4.025 4.767 1.832 1.00 0.00 C ATOM 537 O ILE A 33 4.333 5.889 1.441 1.00 0.00 O ATOM 538 CB ILE A 33 5.877 3.086 1.836 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.694 3.949 0.862 1.00 0.00 C ATOM 540 CG2 ILE A 33 5.044 2.067 1.071 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.188 5.257 1.455 1.00 0.00 C ATOM 0 H ILE A 33 4.025 2.228 3.407 1.00 0.00 H new ATOM 0 HA ILE A 33 5.605 4.650 3.287 1.00 0.00 H new ATOM 0 HB ILE A 33 6.571 2.552 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.552 3.373 0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.082 4.168 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.698 1.453 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.510 1.430 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.326 2.587 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.755 5.806 0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.336 5.856 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.828 5.049 2.312 1.00 0.00 H new ATOM 553 N ALA A 34 2.861 4.194 1.523 1.00 0.00 N ATOM 554 CA ALA A 34 1.885 4.886 0.694 1.00 0.00 C ATOM 555 C ALA A 34 1.477 6.190 1.363 1.00 0.00 C ATOM 556 O ALA A 34 1.279 7.209 0.701 1.00 0.00 O ATOM 557 CB ALA A 34 0.674 4.005 0.448 1.00 0.00 C ATOM 0 H ALA A 34 2.577 3.264 1.832 1.00 0.00 H new ATOM 0 HA ALA A 34 2.336 5.113 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.045 4.539 -0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.985 3.092 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.210 3.750 1.401 1.00 0.00 H new ATOM 563 N ASN A 35 1.382 6.152 2.690 1.00 0.00 N ATOM 564 CA ASN A 35 1.032 7.332 3.464 1.00 0.00 C ATOM 565 C ASN A 35 2.246 8.244 3.578 1.00 0.00 C ATOM 566 O ASN A 35 2.119 9.467 3.630 1.00 0.00 O ATOM 567 CB ASN A 35 0.534 6.938 4.855 1.00 0.00 C ATOM 568 CG ASN A 35 -0.261 8.045 5.518 1.00 0.00 C ATOM 569 OD1 ASN A 35 0.027 9.228 5.334 1.00 0.00 O ATOM 570 ND2 ASN A 35 -1.271 7.668 6.294 1.00 0.00 N ATOM 0 H ASN A 35 1.543 5.314 3.249 1.00 0.00 H new ATOM 0 HA ASN A 35 0.228 7.863 2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.087 6.045 4.777 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.386 6.680 5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.842 8.370 6.765 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.475 6.677 6.419 1.00 0.00 H new ATOM 577 N ALA A 36 3.431 7.634 3.598 1.00 0.00 N ATOM 578 CA ALA A 36 4.674 8.386 3.681 1.00 0.00 C ATOM 579 C ALA A 36 4.985 9.040 2.339 1.00 0.00 C ATOM 580 O ALA A 36 5.582 10.115 2.283 1.00 0.00 O ATOM 581 CB ALA A 36 5.817 7.477 4.108 1.00 0.00 C ATOM 0 H ALA A 36 3.552 6.622 3.558 1.00 0.00 H new ATOM 0 HA ALA A 36 4.559 9.169 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.739 8.055 4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.596 7.049 5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.936 6.675 3.379 1.00 0.00 H new ATOM 587 N LYS A 37 4.561 8.386 1.259 1.00 0.00 N ATOM 588 CA LYS A 37 4.779 8.908 -0.086 1.00 0.00 C ATOM 589 C LYS A 37 3.719 9.950 -0.426 1.00 0.00 C ATOM 590 O LYS A 37 4.034 11.090 -0.768 1.00 0.00 O ATOM 591 CB LYS A 37 4.742 7.788 -1.131 1.00 0.00 C ATOM 592 CG LYS A 37 5.865 6.777 -0.985 1.00 0.00 C ATOM 593 CD LYS A 37 6.434 6.373 -2.336 1.00 0.00 C ATOM 594 CE LYS A 37 7.948 6.239 -2.288 1.00 0.00 C ATOM 595 NZ LYS A 37 8.379 4.815 -2.236 1.00 0.00 N ATOM 0 H LYS A 37 4.065 7.495 1.290 1.00 0.00 H new ATOM 0 HA LYS A 37 5.767 9.369 -0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.786 7.269 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.791 8.230 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.658 7.199 -0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.494 5.893 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.994 5.426 -2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.157 7.115 -3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.383 6.718 -3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.331 6.766 -1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.345 4.758 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.732 4.279 -1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.361 4.412 -3.194 1.00 0.00 H new ATOM 609 N THR A 38 2.456 9.541 -0.321 1.00 0.00 N ATOM 610 CA THR A 38 1.328 10.420 -0.607 1.00 0.00 C ATOM 611 C THR A 38 0.362 10.440 0.579 1.00 0.00 C ATOM 612 O THR A 38 0.758 10.151 1.707 1.00 0.00 O ATOM 613 CB THR A 38 0.605 9.956 -1.875 1.00 0.00 C ATOM 614 OG1 THR A 38 1.448 9.129 -2.658 1.00 0.00 O ATOM 615 CG2 THR A 38 0.142 11.099 -2.752 1.00 0.00 C ATOM 0 H THR A 38 2.189 8.598 -0.037 1.00 0.00 H new ATOM 0 HA THR A 38 1.702 11.431 -0.770 1.00 0.00 H new ATOM 0 HB THR A 38 -0.271 9.410 -1.525 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.925 8.714 -3.375 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.362 10.701 -3.633 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.549 11.730 -2.193 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.003 11.691 -3.063 1.00 0.00 H new ATOM 623 N VAL A 39 -0.901 10.781 0.330 1.00 0.00 N ATOM 624 CA VAL A 39 -1.893 10.827 1.400 1.00 0.00 C ATOM 625 C VAL A 39 -3.308 11.022 0.855 1.00 0.00 C ATOM 626 O VAL A 39 -4.085 11.812 1.393 1.00 0.00 O ATOM 627 CB VAL A 39 -1.574 11.953 2.405 1.00 0.00 C ATOM 628 CG1 VAL A 39 -1.662 13.315 1.734 1.00 0.00 C ATOM 629 CG2 VAL A 39 -2.507 11.879 3.605 1.00 0.00 C ATOM 0 H VAL A 39 -1.258 11.027 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.847 9.865 1.910 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.552 11.817 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.433 14.094 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.946 13.363 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.670 13.465 1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.267 12.681 4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.539 11.986 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.385 10.917 4.102 1.00 0.00 H new ATOM 639 N GLU A 40 -3.645 10.294 -0.208 1.00 0.00 N ATOM 640 CA GLU A 40 -4.970 10.387 -0.811 1.00 0.00 C ATOM 641 C GLU A 40 -5.081 9.483 -2.031 1.00 0.00 C ATOM 642 O GLU A 40 -4.164 9.404 -2.848 1.00 0.00 O ATOM 643 CB GLU A 40 -5.287 11.830 -1.209 1.00 0.00 C ATOM 644 CG GLU A 40 -6.654 11.996 -1.854 1.00 0.00 C ATOM 645 CD GLU A 40 -7.169 13.420 -1.770 1.00 0.00 C ATOM 646 OE1 GLU A 40 -6.833 14.226 -2.663 1.00 0.00 O ATOM 647 OE2 GLU A 40 -7.909 13.728 -0.812 1.00 0.00 O ATOM 0 H GLU A 40 -3.018 9.634 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.693 10.058 -0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.233 12.463 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.522 12.184 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.597 11.695 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.365 11.327 -1.368 1.00 0.00 H new ATOM 654 N GLY A 41 -6.214 8.807 -2.143 1.00 0.00 N ATOM 655 CA GLY A 41 -6.438 7.911 -3.269 1.00 0.00 C ATOM 656 C GLY A 41 -7.310 6.725 -2.915 1.00 0.00 C ATOM 657 O GLY A 41 -7.522 6.425 -1.739 1.00 0.00 O ATOM 0 H GLY A 41 -6.985 8.860 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.903 8.468 -4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.477 7.552 -3.637 1.00 0.00 H new ATOM 661 N VAL A 42 -7.811 6.043 -3.940 1.00 0.00 N ATOM 662 CA VAL A 42 -8.659 4.874 -3.744 1.00 0.00 C ATOM 663 C VAL A 42 -7.805 3.643 -3.467 1.00 0.00 C ATOM 664 O VAL A 42 -7.013 3.221 -4.308 1.00 0.00 O ATOM 665 CB VAL A 42 -9.577 4.594 -4.959 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.991 4.295 -4.492 1.00 0.00 C ATOM 667 CG2 VAL A 42 -9.582 5.762 -5.938 1.00 0.00 C ATOM 0 H VAL A 42 -7.643 6.281 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.297 5.091 -2.887 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.181 3.723 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.626 4.100 -5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.982 3.419 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.381 5.151 -3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.237 5.530 -6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.943 6.658 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.570 5.934 -6.304 1.00 0.00 H new ATOM 677 N TRP A 43 -7.954 3.090 -2.270 1.00 0.00 N ATOM 678 CA TRP A 43 -7.191 1.937 -1.852 1.00 0.00 C ATOM 679 C TRP A 43 -7.898 0.632 -2.211 1.00 0.00 C ATOM 680 O TRP A 43 -9.086 0.459 -1.932 1.00 0.00 O ATOM 681 CB TRP A 43 -6.986 2.037 -0.349 1.00 0.00 C ATOM 682 CG TRP A 43 -5.649 2.594 0.040 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.314 3.921 0.119 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.464 1.862 0.398 1.00 0.00 C ATOM 685 NE1 TRP A 43 -4.005 4.056 0.503 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.464 2.812 0.684 1.00 0.00 C ATOM 687 CE3 TRP A 43 -4.141 0.502 0.511 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.181 2.447 1.069 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.861 0.157 0.895 1.00 0.00 C ATOM 690 CH2 TRP A 43 -1.903 1.122 1.170 1.00 0.00 C ATOM 0 H TRP A 43 -8.609 3.433 -1.567 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.233 1.926 -2.371 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.769 2.666 0.075 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.099 1.046 0.091 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.984 4.741 -0.091 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.514 4.940 0.633 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.878 -0.259 0.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.429 3.193 1.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.599 -0.887 0.983 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.913 0.812 1.471 1.00 0.00 H new ATOM 701 N THR A 44 -7.158 -0.285 -2.828 1.00 0.00 N ATOM 702 CA THR A 44 -7.707 -1.578 -3.223 1.00 0.00 C ATOM 703 C THR A 44 -6.645 -2.672 -3.137 1.00 0.00 C ATOM 704 O THR A 44 -5.449 -2.396 -3.226 1.00 0.00 O ATOM 705 CB THR A 44 -8.266 -1.504 -4.645 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.250 -1.148 -5.564 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.392 -0.503 -4.794 1.00 0.00 C ATOM 0 H THR A 44 -6.174 -0.156 -3.066 1.00 0.00 H new ATOM 0 HA THR A 44 -8.514 -1.827 -2.534 1.00 0.00 H new ATOM 0 HB THR A 44 -8.657 -2.500 -4.855 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.466 -0.822 -5.075 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.743 -0.501 -5.826 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.213 -0.778 -4.132 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.032 0.492 -4.531 1.00 0.00 H new ATOM 715 N TYR A 45 -7.091 -3.914 -2.973 1.00 0.00 N ATOM 716 CA TYR A 45 -6.174 -5.050 -2.885 1.00 0.00 C ATOM 717 C TYR A 45 -6.713 -6.242 -3.674 1.00 0.00 C ATOM 718 O TYR A 45 -7.917 -6.495 -3.694 1.00 0.00 O ATOM 719 CB TYR A 45 -5.921 -5.441 -1.416 1.00 0.00 C ATOM 720 CG TYR A 45 -5.558 -6.897 -1.212 1.00 0.00 C ATOM 721 CD1 TYR A 45 -4.284 -7.364 -1.512 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.489 -7.802 -0.720 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.949 -8.692 -1.327 1.00 0.00 C ATOM 724 CE2 TYR A 45 -6.162 -9.132 -0.531 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.891 -9.571 -0.836 1.00 0.00 C ATOM 726 OH TYR A 45 -4.561 -10.894 -0.650 1.00 0.00 O ATOM 0 H TYR A 45 -8.078 -4.161 -2.898 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.223 -4.750 -3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.118 -4.820 -1.020 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.814 -5.216 -0.833 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.544 -6.678 -1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.486 -7.461 -0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.955 -9.039 -1.566 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.898 -9.823 -0.147 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.337 -11.378 -0.297 1.00 0.00 H new ATOM 736 N LYS A 46 -5.808 -6.970 -4.322 1.00 0.00 N ATOM 737 CA LYS A 46 -6.184 -8.136 -5.111 1.00 0.00 C ATOM 738 C LYS A 46 -5.768 -9.423 -4.404 1.00 0.00 C ATOM 739 O LYS A 46 -4.662 -9.524 -3.877 1.00 0.00 O ATOM 740 CB LYS A 46 -5.539 -8.071 -6.496 1.00 0.00 C ATOM 741 CG LYS A 46 -5.779 -6.754 -7.218 1.00 0.00 C ATOM 742 CD LYS A 46 -6.057 -6.969 -8.697 1.00 0.00 C ATOM 743 CE LYS A 46 -5.235 -6.027 -9.562 1.00 0.00 C ATOM 744 NZ LYS A 46 -4.965 -6.602 -10.909 1.00 0.00 N ATOM 0 H LYS A 46 -4.808 -6.771 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.268 -8.135 -5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.465 -8.230 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.926 -8.886 -7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.622 -6.236 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.907 -6.110 -7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.830 -8.001 -8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.118 -6.814 -8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.764 -5.080 -9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.290 -5.809 -9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.402 -5.929 -11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.438 -7.493 -10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.866 -6.786 -11.395 1.00 0.00 H new ATOM 758 N ASP A 47 -6.664 -10.404 -4.396 1.00 0.00 N ATOM 759 CA ASP A 47 -6.391 -11.684 -3.752 1.00 0.00 C ATOM 760 C ASP A 47 -5.894 -12.709 -4.767 1.00 0.00 C ATOM 761 O ASP A 47 -5.151 -13.623 -4.422 1.00 0.00 O ATOM 762 CB ASP A 47 -7.647 -12.207 -3.057 1.00 0.00 C ATOM 763 CG ASP A 47 -7.391 -13.488 -2.286 1.00 0.00 C ATOM 764 OD1 ASP A 47 -6.215 -13.761 -1.962 1.00 0.00 O ATOM 765 OD2 ASP A 47 -8.364 -14.219 -2.007 1.00 0.00 O ATOM 0 H ASP A 47 -7.586 -10.337 -4.828 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.610 -11.528 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.025 -11.445 -2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.424 -12.383 -3.801 1.00 0.00 H new ATOM 770 N GLU A 48 -6.314 -12.546 -6.018 1.00 0.00 N ATOM 771 CA GLU A 48 -5.917 -13.455 -7.086 1.00 0.00 C ATOM 772 C GLU A 48 -4.403 -13.640 -7.115 1.00 0.00 C ATOM 773 O GLU A 48 -3.909 -14.703 -7.491 1.00 0.00 O ATOM 774 CB GLU A 48 -6.403 -12.931 -8.438 1.00 0.00 C ATOM 775 CG GLU A 48 -7.853 -13.274 -8.737 1.00 0.00 C ATOM 776 CD GLU A 48 -8.210 -13.074 -10.197 1.00 0.00 C ATOM 777 OE1 GLU A 48 -7.449 -13.561 -11.062 1.00 0.00 O ATOM 778 OE2 GLU A 48 -9.247 -12.446 -10.477 1.00 0.00 O ATOM 0 H GLU A 48 -6.931 -11.791 -6.317 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.378 -14.423 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.282 -11.848 -8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.771 -13.341 -9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.042 -14.311 -8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.504 -12.655 -8.119 1.00 0.00 H new ATOM 785 N ILE A 49 -3.670 -12.605 -6.719 1.00 0.00 N ATOM 786 CA ILE A 49 -2.212 -12.667 -6.703 1.00 0.00 C ATOM 787 C ILE A 49 -1.633 -11.897 -5.518 1.00 0.00 C ATOM 788 O ILE A 49 -0.453 -11.545 -5.509 1.00 0.00 O ATOM 789 CB ILE A 49 -1.611 -12.105 -8.007 1.00 0.00 C ATOM 790 CG1 ILE A 49 -2.047 -10.656 -8.223 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.016 -12.969 -9.191 1.00 0.00 C ATOM 792 CD1 ILE A 49 -3.508 -10.502 -8.584 1.00 0.00 C ATOM 0 H ILE A 49 -4.059 -11.716 -6.406 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.946 -13.720 -6.610 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.525 -12.123 -7.921 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.845 -10.087 -7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.439 -10.218 -9.015 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.584 -12.560 -10.104 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.652 -13.985 -9.041 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.103 -12.982 -9.277 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.740 -9.446 -8.721 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.713 -11.041 -9.509 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.126 -10.908 -7.783 1.00 0.00 H new ATOM 804 N LYS A 50 -2.468 -11.631 -4.516 1.00 0.00 N ATOM 805 CA LYS A 50 -2.033 -10.904 -3.324 1.00 0.00 C ATOM 806 C LYS A 50 -1.241 -9.653 -3.697 1.00 0.00 C ATOM 807 O LYS A 50 -0.014 -9.623 -3.584 1.00 0.00 O ATOM 808 CB LYS A 50 -1.182 -11.811 -2.433 1.00 0.00 C ATOM 809 CG LYS A 50 -1.742 -13.211 -2.284 1.00 0.00 C ATOM 810 CD LYS A 50 -1.277 -14.118 -3.414 1.00 0.00 C ATOM 811 CE LYS A 50 -1.221 -15.572 -2.975 1.00 0.00 C ATOM 812 NZ LYS A 50 0.133 -15.954 -2.483 1.00 0.00 N ATOM 0 H LYS A 50 -3.450 -11.908 -4.505 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.924 -10.594 -2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.176 -11.873 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.093 -11.357 -1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.429 -13.630 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.831 -13.170 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.953 -14.019 -4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.291 -13.801 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.954 -15.741 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.498 -16.214 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.115 -16.938 -2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.821 -15.866 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.408 -15.326 -1.701 1.00 0.00 H new ATOM 826 N THR A 51 -1.948 -8.620 -4.144 1.00 0.00 N ATOM 827 CA THR A 51 -1.304 -7.373 -4.534 1.00 0.00 C ATOM 828 C THR A 51 -2.173 -6.169 -4.192 1.00 0.00 C ATOM 829 O THR A 51 -3.347 -6.110 -4.561 1.00 0.00 O ATOM 830 CB THR A 51 -0.991 -7.385 -6.033 1.00 0.00 C ATOM 831 OG1 THR A 51 -0.151 -8.476 -6.361 1.00 0.00 O ATOM 832 CG2 THR A 51 -0.310 -6.121 -6.518 1.00 0.00 C ATOM 0 H THR A 51 -2.963 -8.622 -4.245 1.00 0.00 H new ATOM 0 HA THR A 51 -0.373 -7.288 -3.973 1.00 0.00 H new ATOM 0 HB THR A 51 -1.959 -7.467 -6.526 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.036 -8.467 -7.323 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.118 -6.199 -7.588 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.955 -5.264 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.634 -5.990 -5.989 1.00 0.00 H new ATOM 840 N PHE A 52 -1.583 -5.211 -3.489 1.00 0.00 N ATOM 841 CA PHE A 52 -2.292 -4.000 -3.098 1.00 0.00 C ATOM 842 C PHE A 52 -2.055 -2.895 -4.118 1.00 0.00 C ATOM 843 O PHE A 52 -0.963 -2.758 -4.664 1.00 0.00 O ATOM 844 CB PHE A 52 -1.840 -3.552 -1.708 1.00 0.00 C ATOM 845 CG PHE A 52 -2.807 -3.905 -0.616 1.00 0.00 C ATOM 846 CD1 PHE A 52 -2.804 -5.173 -0.054 1.00 0.00 C ATOM 847 CD2 PHE A 52 -3.716 -2.971 -0.149 1.00 0.00 C ATOM 848 CE1 PHE A 52 -3.692 -5.501 0.951 1.00 0.00 C ATOM 849 CE2 PHE A 52 -4.607 -3.293 0.857 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.596 -4.560 1.408 1.00 0.00 C ATOM 0 H PHE A 52 -0.613 -5.250 -3.177 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.360 -4.214 -3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.874 -4.005 -1.486 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.691 -2.472 -1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.099 -5.912 -0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.729 -1.979 -0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.680 -6.492 1.380 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.311 -2.555 1.212 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.292 -4.815 2.194 1.00 0.00 H new ATOM 860 N THR A 53 -3.093 -2.121 -4.386 1.00 0.00 N ATOM 861 CA THR A 53 -3.002 -1.033 -5.356 1.00 0.00 C ATOM 862 C THR A 53 -3.828 0.178 -4.935 1.00 0.00 C ATOM 863 O THR A 53 -4.936 0.037 -4.418 1.00 0.00 O ATOM 864 CB THR A 53 -3.458 -1.518 -6.733 1.00 0.00 C ATOM 865 OG1 THR A 53 -2.720 -2.658 -7.133 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.307 -0.471 -7.817 1.00 0.00 C ATOM 0 H THR A 53 -4.009 -2.222 -3.949 1.00 0.00 H new ATOM 0 HA THR A 53 -1.958 -0.723 -5.402 1.00 0.00 H new ATOM 0 HB THR A 53 -4.517 -1.752 -6.620 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.028 -2.954 -8.015 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.648 -0.880 -8.768 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.905 0.404 -7.563 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.259 -0.183 -7.901 1.00 0.00 H new ATOM 874 N VAL A 54 -3.290 1.368 -5.187 1.00 0.00 N ATOM 875 CA VAL A 54 -3.991 2.608 -4.860 1.00 0.00 C ATOM 876 C VAL A 54 -4.149 3.481 -6.106 1.00 0.00 C ATOM 877 O VAL A 54 -3.166 3.815 -6.769 1.00 0.00 O ATOM 878 CB VAL A 54 -3.284 3.400 -3.722 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.599 4.666 -4.243 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.295 3.761 -2.639 1.00 0.00 C ATOM 0 H VAL A 54 -2.374 1.501 -5.615 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.980 2.333 -4.494 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.509 2.758 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.119 5.187 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.848 4.394 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.342 5.319 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.795 4.315 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.085 4.377 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.729 2.849 -2.228 1.00 0.00 H new ATOM 890 N THR A 55 -5.389 3.839 -6.423 1.00 0.00 N ATOM 891 CA THR A 55 -5.669 4.665 -7.592 1.00 0.00 C ATOM 892 C THR A 55 -6.007 6.096 -7.186 1.00 0.00 C ATOM 893 O THR A 55 -6.643 6.325 -6.160 1.00 0.00 O ATOM 894 CB THR A 55 -6.823 4.068 -8.399 1.00 0.00 C ATOM 895 OG1 THR A 55 -6.689 2.662 -8.501 1.00 0.00 O ATOM 896 CG2 THR A 55 -6.921 4.623 -9.803 1.00 0.00 C ATOM 0 H THR A 55 -6.215 3.571 -5.888 1.00 0.00 H new ATOM 0 HA THR A 55 -4.771 4.686 -8.210 1.00 0.00 H new ATOM 0 HB THR A 55 -7.727 4.340 -7.854 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.437 2.299 -9.019 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.760 4.158 -10.320 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.075 5.701 -9.758 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.998 4.411 -10.343 1.00 0.00 H new ATOM 904 N GLU A 56 -5.579 7.056 -7.998 1.00 0.00 N ATOM 905 CA GLU A 56 -5.841 8.463 -7.718 1.00 0.00 C ATOM 906 C GLU A 56 -6.317 9.189 -8.973 1.00 0.00 C ATOM 907 O GLU A 56 -5.802 8.878 -10.067 1.00 0.00 O ATOM 908 CB GLU A 56 -4.583 9.140 -7.170 1.00 0.00 C ATOM 909 CG GLU A 56 -4.876 10.305 -6.238 1.00 0.00 C ATOM 910 CD GLU A 56 -4.435 11.638 -6.811 1.00 0.00 C ATOM 911 OE1 GLU A 56 -5.155 12.180 -7.675 1.00 0.00 O ATOM 912 OE2 GLU A 56 -3.369 12.139 -6.395 1.00 0.00 O ATOM 913 OXT GLU A 56 -7.202 10.062 -8.850 1.00 0.00 O ATOM 0 H GLU A 56 -5.050 6.886 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.630 8.516 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.985 8.401 -6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.979 9.496 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.946 10.339 -6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.372 10.139 -5.286 1.00 0.00 H new TER 920 GLU A 56