USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 621 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.00893 (180deg=-0.0106) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= 1.01 (180deg=0.709) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= -1.04 (180deg=-1.46) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 76:sc= 1.1 USER MOD Single : A 41 SER OG : rot 180:sc= -0.15 USER MOD Single : A 43 SER OG : rot -169:sc= -1.28 USER MOD Single : A 44 MET CE :methyl -143:sc= -1.35 (180deg=-2.59!) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= -0.021 (180deg=-0.14) USER MOD Single : A 65 LYS NZ :NH3+ -150:sc= 0.281 (180deg=0.0288) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= -0.0027 (180deg=-0.0649) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.51! USER MOD Single : A 74 THR OG1 : rot 75:sc= 0.75 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= -0.0319 (180deg=-0.256) USER MOD Single : A 76 TYR OH : rot 75:sc= 0.0338 USER MOD Single : A 80 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.24) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.0244 F(o=-1.5,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.496 5.558 3.538 1.00 0.00 N ATOM 2 CA MET A 1 -17.808 6.469 2.603 1.00 0.00 C ATOM 3 C MET A 1 -16.560 5.801 2.052 1.00 0.00 C ATOM 4 O MET A 1 -15.869 5.080 2.771 1.00 0.00 O ATOM 5 CB MET A 1 -17.442 7.784 3.296 1.00 0.00 C ATOM 6 CG MET A 1 -18.651 8.606 3.714 1.00 0.00 C ATOM 7 SD MET A 1 -19.763 8.952 2.334 1.00 0.00 S ATOM 8 CE MET A 1 -21.049 9.874 3.168 1.00 0.00 C ATOM 0 H1 MET A 1 -19.451 5.352 3.182 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.958 4.672 3.618 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.564 6.007 4.473 1.00 0.00 H new ATOM 0 HA MET A 1 -18.485 6.695 1.779 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.839 7.566 4.177 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.822 8.379 2.625 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.198 8.073 4.492 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.314 9.547 4.149 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.815 10.162 2.448 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.496 9.254 3.945 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.621 10.769 3.620 1.00 0.00 H new ATOM 20 N ALA A 2 -16.277 6.031 0.778 1.00 0.00 N ATOM 21 CA ALA A 2 -15.116 5.431 0.136 1.00 0.00 C ATOM 22 C ALA A 2 -13.878 6.295 0.337 1.00 0.00 C ATOM 23 O ALA A 2 -13.977 7.501 0.568 1.00 0.00 O ATOM 24 CB ALA A 2 -15.381 5.217 -1.348 1.00 0.00 C ATOM 0 H ALA A 2 -16.835 6.629 0.168 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.933 4.462 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.504 4.768 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.237 4.554 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.592 6.176 -1.822 1.00 0.00 H new ATOM 30 N ALA A 3 -12.716 5.671 0.250 1.00 0.00 N ATOM 31 CA ALA A 3 -11.457 6.378 0.400 1.00 0.00 C ATOM 32 C ALA A 3 -10.785 6.516 -0.952 1.00 0.00 C ATOM 33 O ALA A 3 -10.486 5.519 -1.604 1.00 0.00 O ATOM 34 CB ALA A 3 -10.540 5.653 1.374 1.00 0.00 C ATOM 0 H ALA A 3 -12.619 4.671 0.075 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.660 7.370 0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.603 6.202 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.023 5.588 2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.336 4.649 1.002 1.00 0.00 H new ATOM 40 N THR A 4 -10.574 7.747 -1.385 1.00 0.00 N ATOM 41 CA THR A 4 -9.931 7.998 -2.659 1.00 0.00 C ATOM 42 C THR A 4 -8.413 7.811 -2.550 1.00 0.00 C ATOM 43 O THR A 4 -7.898 7.438 -1.489 1.00 0.00 O ATOM 44 CB THR A 4 -10.251 9.417 -3.162 1.00 0.00 C ATOM 45 OG1 THR A 4 -11.448 9.903 -2.532 1.00 0.00 O ATOM 46 CG2 THR A 4 -10.443 9.415 -4.673 1.00 0.00 C ATOM 0 H THR A 4 -10.839 8.587 -0.871 1.00 0.00 H new ATOM 0 HA THR A 4 -10.321 7.276 -3.377 1.00 0.00 H new ATOM 0 HB THR A 4 -9.415 10.069 -2.909 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.644 10.807 -2.856 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.669 10.426 -5.012 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.530 9.066 -5.155 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.268 8.752 -4.934 1.00 0.00 H new ATOM 54 N GLN A 5 -7.708 8.079 -3.644 1.00 0.00 N ATOM 55 CA GLN A 5 -6.271 7.867 -3.715 1.00 0.00 C ATOM 56 C GLN A 5 -5.545 8.673 -2.645 1.00 0.00 C ATOM 57 O GLN A 5 -4.797 8.116 -1.853 1.00 0.00 O ATOM 58 CB GLN A 5 -5.771 8.233 -5.116 1.00 0.00 C ATOM 59 CG GLN A 5 -4.268 8.083 -5.315 1.00 0.00 C ATOM 60 CD GLN A 5 -3.546 9.413 -5.269 1.00 0.00 C ATOM 61 OE1 GLN A 5 -3.082 9.852 -4.220 1.00 0.00 O ATOM 62 NE2 GLN A 5 -3.453 10.068 -6.413 1.00 0.00 N ATOM 0 H GLN A 5 -8.117 8.448 -4.502 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.058 6.815 -3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.285 7.607 -5.845 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.051 9.265 -5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.865 7.427 -4.543 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.077 7.602 -6.274 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.852 9.669 -7.263 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.982 10.972 -6.446 1.00 0.00 H new ATOM 71 N GLU A 6 -5.809 9.971 -2.597 1.00 0.00 N ATOM 72 CA GLU A 6 -5.136 10.870 -1.668 1.00 0.00 C ATOM 73 C GLU A 6 -5.373 10.447 -0.216 1.00 0.00 C ATOM 74 O GLU A 6 -4.486 10.561 0.632 1.00 0.00 O ATOM 75 CB GLU A 6 -5.612 12.313 -1.889 1.00 0.00 C ATOM 76 CG GLU A 6 -7.128 12.484 -1.874 1.00 0.00 C ATOM 77 CD GLU A 6 -7.773 12.283 -3.235 1.00 0.00 C ATOM 78 OE1 GLU A 6 -7.808 11.136 -3.726 1.00 0.00 O ATOM 79 OE2 GLU A 6 -8.251 13.275 -3.815 1.00 0.00 O ATOM 0 H GLU A 6 -6.493 10.430 -3.198 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.065 10.816 -1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.179 12.948 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.228 12.667 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.559 11.774 -1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.370 13.483 -1.510 1.00 0.00 H new ATOM 86 N GLU A 7 -6.564 9.933 0.048 1.00 0.00 N ATOM 87 CA GLU A 7 -6.946 9.498 1.385 1.00 0.00 C ATOM 88 C GLU A 7 -6.149 8.261 1.796 1.00 0.00 C ATOM 89 O GLU A 7 -5.426 8.258 2.806 1.00 0.00 O ATOM 90 CB GLU A 7 -8.439 9.171 1.395 1.00 0.00 C ATOM 91 CG GLU A 7 -9.015 8.914 2.776 1.00 0.00 C ATOM 92 CD GLU A 7 -9.180 10.187 3.577 1.00 0.00 C ATOM 93 OE1 GLU A 7 -10.195 10.884 3.382 1.00 0.00 O ATOM 94 OE2 GLU A 7 -8.300 10.499 4.402 1.00 0.00 O ATOM 0 H GLU A 7 -7.292 9.805 -0.655 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.733 10.298 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.983 9.997 0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.610 8.292 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.982 8.422 2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.362 8.229 3.317 1.00 0.00 H new ATOM 101 N ILE A 8 -6.279 7.214 0.993 1.00 0.00 N ATOM 102 CA ILE A 8 -5.664 5.936 1.293 1.00 0.00 C ATOM 103 C ILE A 8 -4.141 6.039 1.179 1.00 0.00 C ATOM 104 O ILE A 8 -3.417 5.404 1.938 1.00 0.00 O ATOM 105 CB ILE A 8 -6.235 4.831 0.366 1.00 0.00 C ATOM 106 CG1 ILE A 8 -5.963 3.421 0.915 1.00 0.00 C ATOM 107 CG2 ILE A 8 -5.686 4.970 -1.042 1.00 0.00 C ATOM 108 CD1 ILE A 8 -4.590 2.864 0.595 1.00 0.00 C ATOM 0 H ILE A 8 -6.810 7.229 0.122 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.901 5.660 2.320 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.316 4.966 0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.088 3.438 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.716 2.741 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.101 4.184 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.963 5.944 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.600 4.882 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.493 1.867 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.463 2.808 -0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.825 3.516 1.017 1.00 0.00 H new ATOM 120 N VAL A 9 -3.660 6.869 0.255 1.00 0.00 N ATOM 121 CA VAL A 9 -2.229 7.094 0.098 1.00 0.00 C ATOM 122 C VAL A 9 -1.631 7.676 1.371 1.00 0.00 C ATOM 123 O VAL A 9 -0.565 7.249 1.796 1.00 0.00 O ATOM 124 CB VAL A 9 -1.916 8.007 -1.114 1.00 0.00 C ATOM 125 CG1 VAL A 9 -0.588 8.737 -0.949 1.00 0.00 C ATOM 126 CG2 VAL A 9 -1.894 7.182 -2.390 1.00 0.00 C ATOM 0 H VAL A 9 -4.243 7.396 -0.395 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.770 6.124 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.703 8.759 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.408 9.366 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.623 9.359 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.218 8.009 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.673 7.830 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.126 6.412 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.866 6.712 -2.536 1.00 0.00 H new ATOM 136 N ALA A 10 -2.328 8.624 1.991 1.00 0.00 N ATOM 137 CA ALA A 10 -1.860 9.195 3.248 1.00 0.00 C ATOM 138 C ALA A 10 -1.718 8.108 4.303 1.00 0.00 C ATOM 139 O ALA A 10 -0.723 8.057 5.029 1.00 0.00 O ATOM 140 CB ALA A 10 -2.799 10.284 3.740 1.00 0.00 C ATOM 0 H ALA A 10 -3.208 9.009 1.648 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.883 9.645 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.424 10.691 4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.855 11.079 2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.792 9.864 3.898 1.00 0.00 H new ATOM 146 N GLY A 11 -2.714 7.230 4.371 1.00 0.00 N ATOM 147 CA GLY A 11 -2.666 6.133 5.321 1.00 0.00 C ATOM 148 C GLY A 11 -1.614 5.098 4.962 1.00 0.00 C ATOM 149 O GLY A 11 -0.908 4.592 5.836 1.00 0.00 O ATOM 0 H GLY A 11 -3.550 7.258 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.459 6.527 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.643 5.652 5.366 1.00 0.00 H new ATOM 153 N LEU A 12 -1.517 4.782 3.674 1.00 0.00 N ATOM 154 CA LEU A 12 -0.528 3.833 3.174 1.00 0.00 C ATOM 155 C LEU A 12 0.877 4.374 3.458 1.00 0.00 C ATOM 156 O LEU A 12 1.732 3.669 3.988 1.00 0.00 O ATOM 157 CB LEU A 12 -0.730 3.623 1.658 1.00 0.00 C ATOM 158 CG LEU A 12 -0.590 2.183 1.122 1.00 0.00 C ATOM 159 CD1 LEU A 12 0.788 1.615 1.409 1.00 0.00 C ATOM 160 CD2 LEU A 12 -1.668 1.272 1.697 1.00 0.00 C ATOM 0 H LEU A 12 -2.119 5.175 2.950 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.648 2.873 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.724 3.986 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.012 4.251 1.131 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.720 2.229 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.852 0.600 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.545 2.236 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.959 1.600 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.543 0.265 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.582 1.248 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.651 1.651 1.419 1.00 0.00 H new ATOM 172 N ALA A 13 1.078 5.645 3.128 1.00 0.00 N ATOM 173 CA ALA A 13 2.356 6.324 3.324 1.00 0.00 C ATOM 174 C ALA A 13 2.792 6.293 4.781 1.00 0.00 C ATOM 175 O ALA A 13 3.926 5.921 5.093 1.00 0.00 O ATOM 176 CB ALA A 13 2.246 7.765 2.859 1.00 0.00 C ATOM 0 H ALA A 13 0.357 6.237 2.715 1.00 0.00 H new ATOM 0 HA ALA A 13 3.107 5.797 2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.201 8.269 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.984 7.787 1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.474 8.275 3.435 1.00 0.00 H new ATOM 182 N GLU A 14 1.877 6.688 5.658 1.00 0.00 N ATOM 183 CA GLU A 14 2.129 6.728 7.092 1.00 0.00 C ATOM 184 C GLU A 14 2.656 5.387 7.589 1.00 0.00 C ATOM 185 O GLU A 14 3.527 5.325 8.461 1.00 0.00 O ATOM 186 CB GLU A 14 0.837 7.080 7.836 1.00 0.00 C ATOM 187 CG GLU A 14 0.968 7.016 9.348 1.00 0.00 C ATOM 188 CD GLU A 14 -0.310 7.395 10.063 1.00 0.00 C ATOM 189 OE1 GLU A 14 -1.272 6.600 10.043 1.00 0.00 O ATOM 190 OE2 GLU A 14 -0.358 8.495 10.654 1.00 0.00 O ATOM 0 H GLU A 14 0.939 6.990 5.394 1.00 0.00 H new ATOM 0 HA GLU A 14 2.884 7.490 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.525 8.084 7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.048 6.398 7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.257 6.007 9.641 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.769 7.683 9.667 1.00 0.00 H new ATOM 197 N ILE A 15 2.126 4.323 7.010 1.00 0.00 N ATOM 198 CA ILE A 15 2.434 2.981 7.449 1.00 0.00 C ATOM 199 C ILE A 15 3.688 2.410 6.768 1.00 0.00 C ATOM 200 O ILE A 15 4.446 1.666 7.386 1.00 0.00 O ATOM 201 CB ILE A 15 1.206 2.067 7.249 1.00 0.00 C ATOM 202 CG1 ILE A 15 0.788 1.495 8.603 1.00 0.00 C ATOM 203 CG2 ILE A 15 1.484 0.961 6.239 1.00 0.00 C ATOM 204 CD1 ILE A 15 -0.555 0.812 8.597 1.00 0.00 C ATOM 0 H ILE A 15 1.474 4.369 6.227 1.00 0.00 H new ATOM 0 HA ILE A 15 2.668 3.023 8.513 1.00 0.00 H new ATOM 0 HB ILE A 15 0.387 2.658 6.839 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.544 0.782 8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.769 2.302 9.336 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.596 0.340 6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.742 1.403 5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.314 0.348 6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.776 0.435 9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.324 1.525 8.300 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.538 -0.018 7.891 1.00 0.00 H new ATOM 216 N VAL A 16 3.928 2.760 5.506 1.00 0.00 N ATOM 217 CA VAL A 16 5.128 2.277 4.824 1.00 0.00 C ATOM 218 C VAL A 16 6.353 2.960 5.409 1.00 0.00 C ATOM 219 O VAL A 16 7.465 2.433 5.363 1.00 0.00 O ATOM 220 CB VAL A 16 5.097 2.520 3.302 1.00 0.00 C ATOM 221 CG1 VAL A 16 6.334 1.927 2.638 1.00 0.00 C ATOM 222 CG2 VAL A 16 3.843 1.934 2.687 1.00 0.00 C ATOM 0 H VAL A 16 3.324 3.361 4.945 1.00 0.00 H new ATOM 0 HA VAL A 16 5.168 1.199 4.980 1.00 0.00 H new ATOM 0 HB VAL A 16 5.093 3.597 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.293 2.109 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.228 2.394 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.367 0.853 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.844 2.118 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.815 0.860 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.966 2.401 3.134 1.00 0.00 H new ATOM 232 N ASN A 17 6.134 4.138 5.973 1.00 0.00 N ATOM 233 CA ASN A 17 7.192 4.870 6.644 1.00 0.00 C ATOM 234 C ASN A 17 7.643 4.108 7.894 1.00 0.00 C ATOM 235 O ASN A 17 8.756 4.299 8.386 1.00 0.00 O ATOM 236 CB ASN A 17 6.713 6.282 6.995 1.00 0.00 C ATOM 237 CG ASN A 17 7.828 7.158 7.521 1.00 0.00 C ATOM 238 OD1 ASN A 17 8.059 7.240 8.727 1.00 0.00 O ATOM 239 ND2 ASN A 17 8.530 7.814 6.612 1.00 0.00 N ATOM 0 H ASN A 17 5.228 4.607 5.978 1.00 0.00 H new ATOM 0 HA ASN A 17 8.049 4.962 5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.278 6.745 6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.922 6.219 7.742 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.299 8.419 6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.302 7.715 5.623 1.00 0.00 H new ATOM 246 N GLU A 18 6.776 3.219 8.384 1.00 0.00 N ATOM 247 CA GLU A 18 7.124 2.335 9.492 1.00 0.00 C ATOM 248 C GLU A 18 8.034 1.221 9.008 1.00 0.00 C ATOM 249 O GLU A 18 8.858 0.700 9.758 1.00 0.00 O ATOM 250 CB GLU A 18 5.873 1.712 10.118 1.00 0.00 C ATOM 251 CG GLU A 18 4.882 2.735 10.647 1.00 0.00 C ATOM 252 CD GLU A 18 3.889 2.130 11.618 1.00 0.00 C ATOM 253 OE1 GLU A 18 4.275 1.867 12.779 1.00 0.00 O ATOM 254 OE2 GLU A 18 2.731 1.905 11.230 1.00 0.00 O ATOM 0 H GLU A 18 5.828 3.094 8.029 1.00 0.00 H new ATOM 0 HA GLU A 18 7.636 2.936 10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.377 1.089 9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.174 1.055 10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.425 3.540 11.142 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.343 3.180 9.811 1.00 0.00 H new ATOM 261 N ILE A 19 7.873 0.859 7.747 1.00 0.00 N ATOM 262 CA ILE A 19 8.632 -0.234 7.171 1.00 0.00 C ATOM 263 C ILE A 19 9.997 0.246 6.703 1.00 0.00 C ATOM 264 O ILE A 19 11.025 -0.314 7.079 1.00 0.00 O ATOM 265 CB ILE A 19 7.893 -0.868 5.978 1.00 0.00 C ATOM 266 CG1 ILE A 19 6.453 -1.219 6.367 1.00 0.00 C ATOM 267 CG2 ILE A 19 8.642 -2.101 5.508 1.00 0.00 C ATOM 268 CD1 ILE A 19 5.656 -1.896 5.270 1.00 0.00 C ATOM 0 H ILE A 19 7.222 1.308 7.103 1.00 0.00 H new ATOM 0 HA ILE A 19 8.753 -0.984 7.953 1.00 0.00 H new ATOM 0 HB ILE A 19 7.854 -0.150 5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.474 -1.872 7.240 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.937 -0.306 6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.116 -2.547 4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.649 -1.820 5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.700 -2.824 6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.649 -2.109 5.630 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.600 -1.238 4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.145 -2.828 4.987 1.00 0.00 H new ATOM 280 N ALA A 20 10.005 1.294 5.892 1.00 0.00 N ATOM 281 CA ALA A 20 11.250 1.795 5.337 1.00 0.00 C ATOM 282 C ALA A 20 11.389 3.295 5.558 1.00 0.00 C ATOM 283 O ALA A 20 11.890 3.721 6.599 1.00 0.00 O ATOM 284 CB ALA A 20 11.362 1.432 3.868 1.00 0.00 C ATOM 0 H ALA A 20 9.172 1.808 5.607 1.00 0.00 H new ATOM 0 HA ALA A 20 12.076 1.316 5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.301 1.816 3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.337 0.348 3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.529 1.872 3.320 1.00 0.00 H new ATOM 290 N GLY A 21 10.936 4.105 4.604 1.00 0.00 N ATOM 291 CA GLY A 21 11.021 5.536 4.799 1.00 0.00 C ATOM 292 C GLY A 21 10.809 6.363 3.544 1.00 0.00 C ATOM 293 O GLY A 21 11.654 7.184 3.195 1.00 0.00 O ATOM 0 H GLY A 21 10.522 3.803 3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.280 5.832 5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 21 12.001 5.775 5.213 1.00 0.00 H new ATOM 297 N ILE A 22 9.696 6.153 2.854 1.00 0.00 N ATOM 298 CA ILE A 22 9.266 7.112 1.843 1.00 0.00 C ATOM 299 C ILE A 22 8.408 8.176 2.528 1.00 0.00 C ATOM 300 O ILE A 22 7.452 7.839 3.230 1.00 0.00 O ATOM 301 CB ILE A 22 8.453 6.467 0.682 1.00 0.00 C ATOM 302 CG1 ILE A 22 9.343 5.615 -0.238 1.00 0.00 C ATOM 303 CG2 ILE A 22 7.748 7.545 -0.133 1.00 0.00 C ATOM 304 CD1 ILE A 22 10.443 6.401 -0.918 1.00 0.00 C ATOM 0 H ILE A 22 9.085 5.345 2.971 1.00 0.00 H new ATOM 0 HA ILE A 22 10.162 7.539 1.393 1.00 0.00 H new ATOM 0 HB ILE A 22 7.711 5.808 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.791 4.811 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.720 5.146 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.184 7.079 -0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.067 8.101 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.488 8.226 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.029 5.734 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.003 7.188 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.090 6.848 -0.164 1.00 0.00 H new ATOM 316 N PRO A 23 8.763 9.467 2.379 1.00 0.00 N ATOM 317 CA PRO A 23 7.968 10.573 2.923 1.00 0.00 C ATOM 318 C PRO A 23 6.519 10.495 2.450 1.00 0.00 C ATOM 319 O PRO A 23 6.258 10.069 1.325 1.00 0.00 O ATOM 320 CB PRO A 23 8.651 11.821 2.359 1.00 0.00 C ATOM 321 CG PRO A 23 10.050 11.393 2.084 1.00 0.00 C ATOM 322 CD PRO A 23 9.969 9.945 1.683 1.00 0.00 C ATOM 0 HA PRO A 23 7.928 10.562 4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.157 12.167 1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.622 12.645 3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.493 11.994 1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.677 11.519 2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.881 9.831 0.602 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.857 9.392 1.991 1.00 0.00 H new ATOM 330 N VAL A 24 5.581 10.911 3.298 1.00 0.00 N ATOM 331 CA VAL A 24 4.159 10.752 2.994 1.00 0.00 C ATOM 332 C VAL A 24 3.764 11.500 1.718 1.00 0.00 C ATOM 333 O VAL A 24 2.824 11.114 1.026 1.00 0.00 O ATOM 334 CB VAL A 24 3.255 11.215 4.161 1.00 0.00 C ATOM 335 CG1 VAL A 24 3.545 10.407 5.415 1.00 0.00 C ATOM 336 CG2 VAL A 24 3.425 12.701 4.427 1.00 0.00 C ATOM 0 H VAL A 24 5.776 11.357 4.194 1.00 0.00 H new ATOM 0 HA VAL A 24 4.004 9.684 2.841 1.00 0.00 H new ATOM 0 HB VAL A 24 2.218 11.043 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.899 10.747 6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.356 9.351 5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.588 10.542 5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.778 12.999 5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.463 12.908 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.156 13.264 3.533 1.00 0.00 H new ATOM 346 N GLU A 25 4.504 12.558 1.399 1.00 0.00 N ATOM 347 CA GLU A 25 4.235 13.358 0.206 1.00 0.00 C ATOM 348 C GLU A 25 4.803 12.696 -1.047 1.00 0.00 C ATOM 349 O GLU A 25 4.393 13.000 -2.169 1.00 0.00 O ATOM 350 CB GLU A 25 4.835 14.756 0.373 1.00 0.00 C ATOM 351 CG GLU A 25 4.134 15.595 1.430 1.00 0.00 C ATOM 352 CD GLU A 25 2.803 16.141 0.953 1.00 0.00 C ATOM 353 OE1 GLU A 25 2.040 15.398 0.307 1.00 0.00 O ATOM 354 OE2 GLU A 25 2.530 17.335 1.199 1.00 0.00 O ATOM 0 H GLU A 25 5.297 12.883 1.952 1.00 0.00 H new ATOM 0 HA GLU A 25 3.154 13.435 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.889 14.661 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.790 15.278 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.975 14.990 2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.780 16.424 1.718 1.00 0.00 H new ATOM 361 N ASP A 26 5.739 11.778 -0.846 1.00 0.00 N ATOM 362 CA ASP A 26 6.443 11.148 -1.958 1.00 0.00 C ATOM 363 C ASP A 26 5.721 9.891 -2.417 1.00 0.00 C ATOM 364 O ASP A 26 5.947 9.407 -3.524 1.00 0.00 O ATOM 365 CB ASP A 26 7.877 10.791 -1.558 1.00 0.00 C ATOM 366 CG ASP A 26 8.734 10.401 -2.745 1.00 0.00 C ATOM 367 OD1 ASP A 26 8.614 11.035 -3.812 1.00 0.00 O ATOM 368 OD2 ASP A 26 9.514 9.434 -2.629 1.00 0.00 O ATOM 0 H ASP A 26 6.029 11.452 0.076 1.00 0.00 H new ATOM 0 HA ASP A 26 6.467 11.864 -2.780 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.331 11.642 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.857 9.968 -0.843 1.00 0.00 H new ATOM 373 N VAL A 27 4.860 9.355 -1.560 1.00 0.00 N ATOM 374 CA VAL A 27 4.113 8.151 -1.891 1.00 0.00 C ATOM 375 C VAL A 27 3.136 8.422 -3.022 1.00 0.00 C ATOM 376 O VAL A 27 2.216 9.231 -2.901 1.00 0.00 O ATOM 377 CB VAL A 27 3.375 7.569 -0.670 1.00 0.00 C ATOM 378 CG1 VAL A 27 2.509 6.382 -1.074 1.00 0.00 C ATOM 379 CG2 VAL A 27 4.381 7.147 0.384 1.00 0.00 C ATOM 0 H VAL A 27 4.663 9.735 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 27 4.837 7.404 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 27 2.724 8.340 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.998 5.988 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.771 6.703 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.137 5.604 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.855 6.736 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.046 6.389 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.966 8.012 0.695 1.00 0.00 H new ATOM 389 N LYS A 28 3.362 7.734 -4.125 1.00 0.00 N ATOM 390 CA LYS A 28 2.633 7.971 -5.351 1.00 0.00 C ATOM 391 C LYS A 28 2.371 6.643 -6.023 1.00 0.00 C ATOM 392 O LYS A 28 2.930 5.623 -5.619 1.00 0.00 O ATOM 393 CB LYS A 28 3.456 8.861 -6.282 1.00 0.00 C ATOM 394 CG LYS A 28 3.835 10.206 -5.680 1.00 0.00 C ATOM 395 CD LYS A 28 4.954 10.857 -6.468 1.00 0.00 C ATOM 396 CE LYS A 28 4.465 11.364 -7.809 1.00 0.00 C ATOM 397 NZ LYS A 28 5.573 11.501 -8.783 1.00 0.00 N ATOM 0 H LYS A 28 4.059 6.993 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 28 1.690 8.470 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.366 8.331 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.891 9.031 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.964 10.862 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.146 10.070 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.371 11.685 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.759 10.138 -6.621 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.715 10.679 -8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.976 12.329 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.287 12.147 -9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.412 11.883 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.799 10.569 -9.185 1.00 0.00 H new ATOM 411 N LEU A 29 1.556 6.650 -7.057 1.00 0.00 N ATOM 412 CA LEU A 29 1.233 5.424 -7.760 1.00 0.00 C ATOM 413 C LEU A 29 2.340 5.077 -8.751 1.00 0.00 C ATOM 414 O LEU A 29 2.316 4.025 -9.383 1.00 0.00 O ATOM 415 CB LEU A 29 -0.113 5.558 -8.490 1.00 0.00 C ATOM 416 CG LEU A 29 -1.273 6.110 -7.649 1.00 0.00 C ATOM 417 CD1 LEU A 29 -2.574 6.045 -8.427 1.00 0.00 C ATOM 418 CD2 LEU A 29 -1.414 5.350 -6.340 1.00 0.00 C ATOM 0 H LEU A 29 1.106 7.487 -7.429 1.00 0.00 H new ATOM 0 HA LEU A 29 1.150 4.619 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.026 6.207 -9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.399 4.577 -8.871 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.048 7.151 -7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.384 6.440 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.484 6.638 -9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.790 5.009 -8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.243 5.764 -5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.607 4.298 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.493 5.443 -5.764 1.00 0.00 H new ATOM 430 N ASP A 30 3.325 5.964 -8.862 1.00 0.00 N ATOM 431 CA ASP A 30 4.367 5.828 -9.873 1.00 0.00 C ATOM 432 C ASP A 30 5.733 5.505 -9.270 1.00 0.00 C ATOM 433 O ASP A 30 6.752 5.597 -9.958 1.00 0.00 O ATOM 434 CB ASP A 30 4.457 7.110 -10.708 1.00 0.00 C ATOM 435 CG ASP A 30 4.614 8.357 -9.856 1.00 0.00 C ATOM 436 OD1 ASP A 30 3.581 8.933 -9.451 1.00 0.00 O ATOM 437 OD2 ASP A 30 5.767 8.766 -9.577 1.00 0.00 O ATOM 0 H ASP A 30 3.423 6.784 -8.264 1.00 0.00 H new ATOM 0 HA ASP A 30 4.088 4.988 -10.509 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.302 7.034 -11.392 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.560 7.204 -11.319 1.00 0.00 H new ATOM 442 N LYS A 31 5.770 5.121 -7.999 1.00 0.00 N ATOM 443 CA LYS A 31 7.021 4.698 -7.398 1.00 0.00 C ATOM 444 C LYS A 31 6.941 3.213 -7.042 1.00 0.00 C ATOM 445 O LYS A 31 5.884 2.713 -6.647 1.00 0.00 O ATOM 446 CB LYS A 31 7.354 5.582 -6.189 1.00 0.00 C ATOM 447 CG LYS A 31 6.730 5.153 -4.878 1.00 0.00 C ATOM 448 CD LYS A 31 6.554 6.323 -3.931 1.00 0.00 C ATOM 449 CE LYS A 31 7.868 7.047 -3.675 1.00 0.00 C ATOM 450 NZ LYS A 31 8.132 8.121 -4.675 1.00 0.00 N ATOM 0 H LYS A 31 4.962 5.095 -7.377 1.00 0.00 H new ATOM 0 HA LYS A 31 7.838 4.819 -8.109 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.437 5.606 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.035 6.601 -6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.761 4.691 -5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.357 4.395 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.829 7.022 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.145 5.967 -2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.851 7.482 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.686 6.327 -3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.974 8.660 -4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.294 7.693 -5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.312 8.759 -4.723 1.00 0.00 H new ATOM 464 N SER A 32 8.045 2.505 -7.207 1.00 0.00 N ATOM 465 CA SER A 32 8.050 1.059 -7.055 1.00 0.00 C ATOM 466 C SER A 32 8.159 0.674 -5.585 1.00 0.00 C ATOM 467 O SER A 32 8.952 1.247 -4.843 1.00 0.00 O ATOM 468 CB SER A 32 9.205 0.447 -7.854 1.00 0.00 C ATOM 469 OG SER A 32 9.220 0.935 -9.189 1.00 0.00 O ATOM 0 H SER A 32 8.951 2.908 -7.447 1.00 0.00 H new ATOM 0 HA SER A 32 7.110 0.667 -7.443 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.152 0.681 -7.367 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.111 -0.639 -7.862 1.00 0.00 H new ATOM 0 HG SER A 32 9.967 0.530 -9.677 1.00 0.00 H new ATOM 475 N PHE A 33 7.359 -0.300 -5.176 1.00 0.00 N ATOM 476 CA PHE A 33 7.337 -0.757 -3.796 1.00 0.00 C ATOM 477 C PHE A 33 8.672 -1.388 -3.438 1.00 0.00 C ATOM 478 O PHE A 33 9.269 -1.077 -2.410 1.00 0.00 O ATOM 479 CB PHE A 33 6.218 -1.783 -3.594 1.00 0.00 C ATOM 480 CG PHE A 33 5.283 -1.470 -2.460 1.00 0.00 C ATOM 481 CD1 PHE A 33 5.760 -0.979 -1.259 1.00 0.00 C ATOM 482 CD2 PHE A 33 3.921 -1.665 -2.605 1.00 0.00 C ATOM 483 CE1 PHE A 33 4.896 -0.686 -0.224 1.00 0.00 C ATOM 484 CE2 PHE A 33 3.051 -1.372 -1.575 1.00 0.00 C ATOM 485 CZ PHE A 33 3.539 -0.884 -0.382 1.00 0.00 C ATOM 0 H PHE A 33 6.710 -0.793 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 33 7.155 0.101 -3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.640 -1.857 -4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.666 -2.761 -3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.821 -0.823 -1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.534 -2.051 -3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.281 -0.302 0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.990 -1.525 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.861 -0.657 0.428 1.00 0.00 H new ATOM 495 N THR A 34 9.139 -2.262 -4.314 1.00 0.00 N ATOM 496 CA THR A 34 10.378 -2.982 -4.094 1.00 0.00 C ATOM 497 C THR A 34 11.580 -2.042 -4.129 1.00 0.00 C ATOM 498 O THR A 34 12.515 -2.184 -3.345 1.00 0.00 O ATOM 499 CB THR A 34 10.548 -4.081 -5.159 1.00 0.00 C ATOM 500 OG1 THR A 34 10.287 -3.531 -6.462 1.00 0.00 O ATOM 501 CG2 THR A 34 9.595 -5.240 -4.898 1.00 0.00 C ATOM 0 H THR A 34 8.672 -2.490 -5.192 1.00 0.00 H new ATOM 0 HA THR A 34 10.329 -3.437 -3.105 1.00 0.00 H new ATOM 0 HB THR A 34 11.571 -4.455 -5.111 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.055 -2.996 -6.751 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.733 -6.004 -5.663 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.802 -5.667 -3.917 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.567 -4.879 -4.927 1.00 0.00 H new ATOM 509 N ASP A 35 11.531 -1.071 -5.029 1.00 0.00 N ATOM 510 CA ASP A 35 12.674 -0.197 -5.269 1.00 0.00 C ATOM 511 C ASP A 35 12.618 1.055 -4.402 1.00 0.00 C ATOM 512 O ASP A 35 13.427 1.231 -3.494 1.00 0.00 O ATOM 513 CB ASP A 35 12.745 0.204 -6.744 1.00 0.00 C ATOM 514 CG ASP A 35 12.987 -0.968 -7.676 1.00 0.00 C ATOM 515 OD1 ASP A 35 12.156 -1.902 -7.705 1.00 0.00 O ATOM 516 OD2 ASP A 35 14.000 -0.943 -8.409 1.00 0.00 O ATOM 0 H ASP A 35 10.714 -0.867 -5.605 1.00 0.00 H new ATOM 0 HA ASP A 35 13.570 -0.758 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.813 0.695 -7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.543 0.935 -6.876 1.00 0.00 H new ATOM 521 N ASP A 36 11.648 1.918 -4.681 1.00 0.00 N ATOM 522 CA ASP A 36 11.569 3.228 -4.038 1.00 0.00 C ATOM 523 C ASP A 36 11.176 3.101 -2.578 1.00 0.00 C ATOM 524 O ASP A 36 11.817 3.679 -1.702 1.00 0.00 O ATOM 525 CB ASP A 36 10.564 4.134 -4.760 1.00 0.00 C ATOM 526 CG ASP A 36 10.936 4.389 -6.205 1.00 0.00 C ATOM 527 OD1 ASP A 36 11.735 5.309 -6.467 1.00 0.00 O ATOM 528 OD2 ASP A 36 10.424 3.670 -7.086 1.00 0.00 O ATOM 0 H ASP A 36 10.901 1.735 -5.351 1.00 0.00 H new ATOM 0 HA ASP A 36 12.561 3.677 -4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.575 3.677 -4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.497 5.086 -4.234 1.00 0.00 H new ATOM 533 N LEU A 37 10.130 2.324 -2.318 1.00 0.00 N ATOM 534 CA LEU A 37 9.611 2.174 -0.963 1.00 0.00 C ATOM 535 C LEU A 37 10.596 1.408 -0.090 1.00 0.00 C ATOM 536 O LEU A 37 10.412 1.352 1.120 1.00 0.00 O ATOM 537 CB LEU A 37 8.248 1.456 -0.945 1.00 0.00 C ATOM 538 CG LEU A 37 7.024 2.268 -1.409 1.00 0.00 C ATOM 539 CD1 LEU A 37 6.786 3.466 -0.515 1.00 0.00 C ATOM 540 CD2 LEU A 37 7.182 2.728 -2.838 1.00 0.00 C ATOM 0 H LEU A 37 9.626 1.790 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 37 9.474 3.179 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.324 0.569 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.060 1.111 0.072 1.00 0.00 H new ATOM 0 HG LEU A 37 6.161 1.606 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.915 4.018 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.610 3.129 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.661 4.116 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.302 3.298 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.068 3.358 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.290 1.861 -3.490 1.00 0.00 H new ATOM 552 N ASP A 38 11.623 0.814 -0.718 1.00 0.00 N ATOM 553 CA ASP A 38 12.674 0.083 0.006 1.00 0.00 C ATOM 554 C ASP A 38 12.038 -1.004 0.870 1.00 0.00 C ATOM 555 O ASP A 38 12.295 -1.113 2.070 1.00 0.00 O ATOM 556 CB ASP A 38 13.499 1.065 0.856 1.00 0.00 C ATOM 557 CG ASP A 38 14.683 0.425 1.566 1.00 0.00 C ATOM 558 OD1 ASP A 38 15.452 -0.318 0.918 1.00 0.00 O ATOM 559 OD2 ASP A 38 14.882 0.708 2.769 1.00 0.00 O ATOM 0 H ASP A 38 11.748 0.826 -1.730 1.00 0.00 H new ATOM 0 HA ASP A 38 13.348 -0.397 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.863 1.867 0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.847 1.523 1.600 1.00 0.00 H new ATOM 564 N VAL A 39 11.198 -1.813 0.242 1.00 0.00 N ATOM 565 CA VAL A 39 10.359 -2.737 0.976 1.00 0.00 C ATOM 566 C VAL A 39 10.599 -4.185 0.537 1.00 0.00 C ATOM 567 O VAL A 39 10.903 -4.455 -0.628 1.00 0.00 O ATOM 568 CB VAL A 39 8.867 -2.349 0.804 1.00 0.00 C ATOM 569 CG1 VAL A 39 8.170 -3.202 -0.245 1.00 0.00 C ATOM 570 CG2 VAL A 39 8.148 -2.418 2.135 1.00 0.00 C ATOM 0 H VAL A 39 11.082 -1.846 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 39 10.622 -2.671 2.032 1.00 0.00 H new ATOM 0 HB VAL A 39 8.832 -1.321 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.128 -2.894 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.666 -3.074 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.216 -4.250 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.102 -2.143 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.208 -3.433 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.616 -1.728 2.837 1.00 0.00 H new ATOM 580 N ASP A 40 10.480 -5.108 1.487 1.00 0.00 N ATOM 581 CA ASP A 40 10.617 -6.535 1.203 1.00 0.00 C ATOM 582 C ASP A 40 9.258 -7.183 1.155 1.00 0.00 C ATOM 583 O ASP A 40 8.305 -6.630 1.691 1.00 0.00 O ATOM 584 CB ASP A 40 11.432 -7.243 2.284 1.00 0.00 C ATOM 585 CG ASP A 40 12.795 -6.635 2.500 1.00 0.00 C ATOM 586 OD1 ASP A 40 13.698 -6.893 1.680 1.00 0.00 O ATOM 587 OD2 ASP A 40 12.972 -5.914 3.502 1.00 0.00 O ATOM 0 H ASP A 40 10.288 -4.893 2.465 1.00 0.00 H new ATOM 0 HA ASP A 40 11.127 -6.626 0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.878 -7.217 3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.549 -8.292 2.012 1.00 0.00 H new ATOM 592 N SER A 41 9.198 -8.374 0.565 1.00 0.00 N ATOM 593 CA SER A 41 7.953 -9.129 0.432 1.00 0.00 C ATOM 594 C SER A 41 7.210 -9.211 1.768 1.00 0.00 C ATOM 595 O SER A 41 6.027 -8.877 1.855 1.00 0.00 O ATOM 596 CB SER A 41 8.257 -10.537 -0.097 1.00 0.00 C ATOM 597 OG SER A 41 7.069 -11.272 -0.342 1.00 0.00 O ATOM 0 H SER A 41 10.010 -8.844 0.165 1.00 0.00 H new ATOM 0 HA SER A 41 7.308 -8.609 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.836 -10.463 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.874 -11.072 0.625 1.00 0.00 H new ATOM 0 HG SER A 41 7.299 -12.163 -0.679 1.00 0.00 H new ATOM 603 N LEU A 42 7.917 -9.625 2.811 1.00 0.00 N ATOM 604 CA LEU A 42 7.319 -9.722 4.136 1.00 0.00 C ATOM 605 C LEU A 42 7.060 -8.336 4.709 1.00 0.00 C ATOM 606 O LEU A 42 6.001 -8.082 5.269 1.00 0.00 O ATOM 607 CB LEU A 42 8.219 -10.533 5.077 1.00 0.00 C ATOM 608 CG LEU A 42 7.816 -10.501 6.557 1.00 0.00 C ATOM 609 CD1 LEU A 42 6.368 -10.931 6.732 1.00 0.00 C ATOM 610 CD2 LEU A 42 8.741 -11.387 7.377 1.00 0.00 C ATOM 0 H LEU A 42 8.899 -9.897 2.766 1.00 0.00 H new ATOM 0 HA LEU A 42 6.364 -10.240 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.227 -11.570 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.240 -10.161 4.987 1.00 0.00 H new ATOM 0 HG LEU A 42 7.910 -9.476 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.105 -10.901 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.718 -10.255 6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.242 -11.946 6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.442 -11.354 8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.678 -12.413 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.766 -11.030 7.281 1.00 0.00 H new ATOM 622 N SER A 43 8.027 -7.446 4.549 1.00 0.00 N ATOM 623 CA SER A 43 7.927 -6.093 5.074 1.00 0.00 C ATOM 624 C SER A 43 6.656 -5.395 4.568 1.00 0.00 C ATOM 625 O SER A 43 5.822 -4.951 5.371 1.00 0.00 O ATOM 626 CB SER A 43 9.179 -5.312 4.679 1.00 0.00 C ATOM 627 OG SER A 43 10.348 -6.056 4.991 1.00 0.00 O ATOM 0 H SER A 43 8.898 -7.639 4.055 1.00 0.00 H new ATOM 0 HA SER A 43 7.857 -6.134 6.161 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.155 -5.091 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.199 -4.356 5.202 1.00 0.00 H new ATOM 0 HG SER A 43 11.136 -5.482 4.896 1.00 0.00 H new ATOM 633 N MET A 44 6.495 -5.335 3.238 1.00 0.00 N ATOM 634 CA MET A 44 5.313 -4.721 2.636 1.00 0.00 C ATOM 635 C MET A 44 4.053 -5.364 3.170 1.00 0.00 C ATOM 636 O MET A 44 3.231 -4.702 3.786 1.00 0.00 O ATOM 637 CB MET A 44 5.332 -4.803 1.094 1.00 0.00 C ATOM 638 CG MET A 44 5.774 -6.145 0.526 1.00 0.00 C ATOM 639 SD MET A 44 6.347 -6.041 -1.181 1.00 0.00 S ATOM 640 CE MET A 44 4.985 -5.186 -1.962 1.00 0.00 C ATOM 0 H MET A 44 7.168 -5.704 2.565 1.00 0.00 H new ATOM 0 HA MET A 44 5.328 -3.666 2.910 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.333 -4.579 0.721 1.00 0.00 H new ATOM 0 HB3 MET A 44 5.996 -4.027 0.712 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.574 -6.549 1.147 1.00 0.00 H new ATOM 0 HG3 MET A 44 4.942 -6.847 0.581 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.831 -5.586 -2.964 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.080 -5.328 -1.372 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.213 -4.122 -2.027 1.00 0.00 H new ATOM 650 N VAL A 45 3.933 -6.662 2.987 1.00 0.00 N ATOM 651 CA VAL A 45 2.720 -7.360 3.356 1.00 0.00 C ATOM 652 C VAL A 45 2.395 -7.183 4.840 1.00 0.00 C ATOM 653 O VAL A 45 1.238 -7.201 5.229 1.00 0.00 O ATOM 654 CB VAL A 45 2.826 -8.854 2.992 1.00 0.00 C ATOM 655 CG1 VAL A 45 1.664 -9.651 3.555 1.00 0.00 C ATOM 656 CG2 VAL A 45 2.885 -9.007 1.482 1.00 0.00 C ATOM 0 H VAL A 45 4.660 -7.254 2.585 1.00 0.00 H new ATOM 0 HA VAL A 45 1.899 -6.921 2.789 1.00 0.00 H new ATOM 0 HB VAL A 45 3.740 -9.248 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.774 -10.699 3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.654 -9.562 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.728 -9.265 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.960 -10.064 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.981 -8.589 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.756 -8.478 1.096 1.00 0.00 H new ATOM 666 N GLU A 46 3.399 -6.946 5.665 1.00 0.00 N ATOM 667 CA GLU A 46 3.157 -6.839 7.091 1.00 0.00 C ATOM 668 C GLU A 46 2.458 -5.531 7.440 1.00 0.00 C ATOM 669 O GLU A 46 1.293 -5.529 7.855 1.00 0.00 O ATOM 670 CB GLU A 46 4.465 -6.951 7.876 1.00 0.00 C ATOM 671 CG GLU A 46 4.270 -6.780 9.373 1.00 0.00 C ATOM 672 CD GLU A 46 5.564 -6.834 10.156 1.00 0.00 C ATOM 673 OE1 GLU A 46 6.207 -7.904 10.185 1.00 0.00 O ATOM 674 OE2 GLU A 46 5.926 -5.814 10.779 1.00 0.00 O ATOM 0 H GLU A 46 4.371 -6.826 5.380 1.00 0.00 H new ATOM 0 HA GLU A 46 2.503 -7.665 7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.918 -7.923 7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.165 -6.196 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.779 -5.825 9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.601 -7.560 9.737 1.00 0.00 H new ATOM 681 N VAL A 47 3.127 -4.409 7.238 1.00 0.00 N ATOM 682 CA VAL A 47 2.562 -3.161 7.689 1.00 0.00 C ATOM 683 C VAL A 47 1.599 -2.593 6.647 1.00 0.00 C ATOM 684 O VAL A 47 0.677 -1.857 6.985 1.00 0.00 O ATOM 685 CB VAL A 47 3.662 -2.144 8.054 1.00 0.00 C ATOM 686 CG1 VAL A 47 3.082 -0.956 8.801 1.00 0.00 C ATOM 687 CG2 VAL A 47 4.754 -2.809 8.884 1.00 0.00 C ATOM 0 H VAL A 47 4.035 -4.340 6.778 1.00 0.00 H new ATOM 0 HA VAL A 47 1.993 -3.360 8.597 1.00 0.00 H new ATOM 0 HB VAL A 47 4.102 -1.780 7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.880 -0.255 9.046 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.342 -0.459 8.175 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.607 -1.300 9.720 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.521 -2.075 9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.322 -3.206 9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.201 -3.622 8.312 1.00 0.00 H new ATOM 697 N VAL A 48 1.763 -2.985 5.387 1.00 0.00 N ATOM 698 CA VAL A 48 0.864 -2.502 4.343 1.00 0.00 C ATOM 699 C VAL A 48 -0.496 -3.194 4.462 1.00 0.00 C ATOM 700 O VAL A 48 -1.529 -2.594 4.172 1.00 0.00 O ATOM 701 CB VAL A 48 1.460 -2.676 2.923 1.00 0.00 C ATOM 702 CG1 VAL A 48 0.506 -2.173 1.845 1.00 0.00 C ATOM 703 CG2 VAL A 48 2.794 -1.945 2.830 1.00 0.00 C ATOM 0 H VAL A 48 2.493 -3.622 5.068 1.00 0.00 H new ATOM 0 HA VAL A 48 0.730 -1.430 4.491 1.00 0.00 H new ATOM 0 HB VAL A 48 1.616 -3.741 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.960 -2.312 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.428 -2.733 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.303 -1.114 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.209 -2.071 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.642 -0.884 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.486 -2.357 3.564 1.00 0.00 H new ATOM 713 N VAL A 49 -0.502 -4.442 4.939 1.00 0.00 N ATOM 714 CA VAL A 49 -1.759 -5.117 5.253 1.00 0.00 C ATOM 715 C VAL A 49 -2.404 -4.462 6.476 1.00 0.00 C ATOM 716 O VAL A 49 -3.623 -4.334 6.565 1.00 0.00 O ATOM 717 CB VAL A 49 -1.568 -6.641 5.472 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.708 -7.248 6.275 1.00 0.00 C ATOM 719 CG2 VAL A 49 -1.450 -7.353 4.131 1.00 0.00 C ATOM 0 H VAL A 49 0.336 -4.996 5.113 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.423 -5.008 4.396 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.649 -6.775 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.533 -8.316 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.761 -6.768 7.252 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.648 -7.096 5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.316 -8.422 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.357 -7.187 3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.592 -6.961 3.585 1.00 0.00 H new ATOM 729 N ALA A 50 -1.580 -4.008 7.412 1.00 0.00 N ATOM 730 CA ALA A 50 -2.087 -3.223 8.530 1.00 0.00 C ATOM 731 C ALA A 50 -2.741 -1.926 8.028 1.00 0.00 C ATOM 732 O ALA A 50 -3.619 -1.361 8.685 1.00 0.00 O ATOM 733 CB ALA A 50 -0.967 -2.915 9.507 1.00 0.00 C ATOM 0 H ALA A 50 -0.572 -4.167 7.421 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.847 -3.808 9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.360 -2.328 10.337 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.549 -3.847 9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.187 -2.348 8.999 1.00 0.00 H new ATOM 739 N ALA A 51 -2.304 -1.464 6.859 1.00 0.00 N ATOM 740 CA ALA A 51 -2.850 -0.255 6.247 1.00 0.00 C ATOM 741 C ALA A 51 -4.107 -0.547 5.436 1.00 0.00 C ATOM 742 O ALA A 51 -5.066 0.220 5.479 1.00 0.00 O ATOM 743 CB ALA A 51 -1.817 0.409 5.352 1.00 0.00 C ATOM 0 H ALA A 51 -1.568 -1.912 6.313 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.115 0.420 7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.245 1.307 4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.942 0.679 5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.522 -0.282 4.562 1.00 0.00 H new ATOM 749 N GLU A 52 -4.100 -1.647 4.698 1.00 0.00 N ATOM 750 CA GLU A 52 -5.222 -1.989 3.835 1.00 0.00 C ATOM 751 C GLU A 52 -6.488 -2.187 4.665 1.00 0.00 C ATOM 752 O GLU A 52 -7.554 -1.660 4.339 1.00 0.00 O ATOM 753 CB GLU A 52 -4.899 -3.238 3.003 1.00 0.00 C ATOM 754 CG GLU A 52 -4.658 -4.489 3.816 1.00 0.00 C ATOM 755 CD GLU A 52 -4.410 -5.703 2.956 1.00 0.00 C ATOM 756 OE1 GLU A 52 -3.383 -5.727 2.250 1.00 0.00 O ATOM 757 OE2 GLU A 52 -5.239 -6.633 2.992 1.00 0.00 O ATOM 0 H GLU A 52 -3.332 -2.317 4.679 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.398 -1.165 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.722 -3.422 2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.015 -3.037 2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.801 -4.332 4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.520 -4.673 4.457 1.00 0.00 H new ATOM 764 N GLU A 53 -6.349 -2.894 5.770 1.00 0.00 N ATOM 765 CA GLU A 53 -7.480 -3.218 6.617 1.00 0.00 C ATOM 766 C GLU A 53 -8.064 -1.983 7.305 1.00 0.00 C ATOM 767 O GLU A 53 -9.270 -1.917 7.544 1.00 0.00 O ATOM 768 CB GLU A 53 -7.069 -4.248 7.656 1.00 0.00 C ATOM 769 CG GLU A 53 -6.534 -5.536 7.058 1.00 0.00 C ATOM 770 CD GLU A 53 -6.489 -6.667 8.066 1.00 0.00 C ATOM 771 OE1 GLU A 53 -7.523 -7.345 8.248 1.00 0.00 O ATOM 772 OE2 GLU A 53 -5.428 -6.874 8.693 1.00 0.00 O ATOM 0 H GLU A 53 -5.456 -3.257 6.104 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.260 -3.630 5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.307 -3.814 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.928 -4.479 8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.160 -5.829 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.532 -5.362 6.666 1.00 0.00 H new ATOM 779 N ARG A 54 -7.226 -0.996 7.611 1.00 0.00 N ATOM 780 CA ARG A 54 -7.700 0.187 8.329 1.00 0.00 C ATOM 781 C ARG A 54 -8.510 1.102 7.407 1.00 0.00 C ATOM 782 O ARG A 54 -9.245 1.971 7.871 1.00 0.00 O ATOM 783 CB ARG A 54 -6.538 0.959 8.974 1.00 0.00 C ATOM 784 CG ARG A 54 -5.633 1.678 7.986 1.00 0.00 C ATOM 785 CD ARG A 54 -4.516 2.439 8.690 1.00 0.00 C ATOM 786 NE ARG A 54 -5.028 3.493 9.569 1.00 0.00 N ATOM 787 CZ ARG A 54 -4.305 4.536 9.987 1.00 0.00 C ATOM 788 NH1 ARG A 54 -3.049 4.690 9.574 1.00 0.00 N ATOM 789 NH2 ARG A 54 -4.840 5.424 10.819 1.00 0.00 N ATOM 0 H ARG A 54 -6.233 -0.989 7.379 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.354 -0.159 9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.947 1.690 9.671 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.936 0.263 9.559 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.200 0.953 7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.225 2.372 7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.917 1.741 9.275 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.855 2.880 7.945 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.997 3.427 9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.635 4.010 8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.501 5.488 9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.802 5.309 11.138 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.289 6.220 11.138 1.00 0.00 H new ATOM 803 N PHE A 55 -8.376 0.896 6.102 1.00 0.00 N ATOM 804 CA PHE A 55 -9.166 1.640 5.127 1.00 0.00 C ATOM 805 C PHE A 55 -10.273 0.767 4.557 1.00 0.00 C ATOM 806 O PHE A 55 -10.901 1.119 3.557 1.00 0.00 O ATOM 807 CB PHE A 55 -8.281 2.176 4.001 1.00 0.00 C ATOM 808 CG PHE A 55 -7.485 3.385 4.397 1.00 0.00 C ATOM 809 CD1 PHE A 55 -8.032 4.653 4.285 1.00 0.00 C ATOM 810 CD2 PHE A 55 -6.196 3.256 4.887 1.00 0.00 C ATOM 811 CE1 PHE A 55 -7.307 5.770 4.652 1.00 0.00 C ATOM 812 CE2 PHE A 55 -5.468 4.369 5.255 1.00 0.00 C ATOM 813 CZ PHE A 55 -6.025 5.627 5.140 1.00 0.00 C ATOM 0 H PHE A 55 -7.729 0.221 5.695 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.620 2.488 5.639 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.598 1.390 3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.907 2.426 3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.037 4.769 3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.756 2.274 4.982 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.743 6.753 4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.463 4.256 5.633 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.457 6.498 5.432 1.00 0.00 H new ATOM 823 N ASP A 56 -10.498 -0.368 5.217 1.00 0.00 N ATOM 824 CA ASP A 56 -11.559 -1.299 4.852 1.00 0.00 C ATOM 825 C ASP A 56 -11.430 -1.778 3.413 1.00 0.00 C ATOM 826 O ASP A 56 -12.203 -1.384 2.546 1.00 0.00 O ATOM 827 CB ASP A 56 -12.940 -0.673 5.072 1.00 0.00 C ATOM 828 CG ASP A 56 -13.319 -0.578 6.533 1.00 0.00 C ATOM 829 OD1 ASP A 56 -13.636 -1.621 7.139 1.00 0.00 O ATOM 830 OD2 ASP A 56 -13.327 0.544 7.083 1.00 0.00 O ATOM 0 H ASP A 56 -9.947 -0.667 6.022 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.454 -2.166 5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.955 0.324 4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.689 -1.264 4.546 1.00 0.00 H new ATOM 835 N VAL A 57 -10.427 -2.595 3.150 1.00 0.00 N ATOM 836 CA VAL A 57 -10.315 -3.258 1.862 1.00 0.00 C ATOM 837 C VAL A 57 -10.101 -4.756 2.065 1.00 0.00 C ATOM 838 O VAL A 57 -9.817 -5.198 3.182 1.00 0.00 O ATOM 839 CB VAL A 57 -9.151 -2.672 1.041 1.00 0.00 C ATOM 840 CG1 VAL A 57 -7.833 -3.016 1.688 1.00 0.00 C ATOM 841 CG2 VAL A 57 -9.172 -3.161 -0.392 1.00 0.00 C ATOM 0 H VAL A 57 -9.680 -2.816 3.808 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.242 -3.095 1.312 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.272 -1.589 1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.018 -2.596 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.803 -2.601 2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.724 -4.099 1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.335 -2.725 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.088 -4.248 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.108 -2.863 -0.864 1.00 0.00 H new ATOM 851 N LYS A 58 -10.270 -5.532 1.003 1.00 0.00 N ATOM 852 CA LYS A 58 -10.021 -6.960 1.059 1.00 0.00 C ATOM 853 C LYS A 58 -9.085 -7.376 -0.068 1.00 0.00 C ATOM 854 O LYS A 58 -9.447 -7.329 -1.245 1.00 0.00 O ATOM 855 CB LYS A 58 -11.341 -7.728 0.976 1.00 0.00 C ATOM 856 CG LYS A 58 -12.329 -7.298 2.042 1.00 0.00 C ATOM 857 CD LYS A 58 -13.682 -7.954 1.869 1.00 0.00 C ATOM 858 CE LYS A 58 -14.683 -7.385 2.856 1.00 0.00 C ATOM 859 NZ LYS A 58 -14.275 -7.619 4.267 1.00 0.00 N ATOM 0 H LYS A 58 -10.579 -5.193 0.092 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.542 -7.198 2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.784 -7.577 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.144 -8.795 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.930 -7.547 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.446 -6.215 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.039 -7.799 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.591 -9.030 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.792 -6.314 2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.660 -7.837 2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.060 -7.369 4.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.032 -8.622 4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.447 -7.030 4.491 1.00 0.00 H new ATOM 873 N ILE A 59 -7.880 -7.769 0.307 1.00 0.00 N ATOM 874 CA ILE A 59 -6.866 -8.205 -0.640 1.00 0.00 C ATOM 875 C ILE A 59 -5.971 -9.251 0.020 1.00 0.00 C ATOM 876 O ILE A 59 -5.557 -9.090 1.162 1.00 0.00 O ATOM 877 CB ILE A 59 -6.015 -7.014 -1.177 1.00 0.00 C ATOM 878 CG1 ILE A 59 -4.663 -7.497 -1.721 1.00 0.00 C ATOM 879 CG2 ILE A 59 -5.809 -5.956 -0.107 1.00 0.00 C ATOM 880 CD1 ILE A 59 -3.787 -6.384 -2.259 1.00 0.00 C ATOM 0 H ILE A 59 -7.575 -7.795 1.280 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.372 -8.645 -1.499 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.571 -6.562 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.127 -8.017 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.840 -8.223 -2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.212 -5.139 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.777 -5.572 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.290 -6.396 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.850 -6.803 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.302 -5.878 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.578 -5.669 -1.464 1.00 0.00 H new ATOM 892 N PRO A 60 -5.708 -10.368 -0.669 1.00 0.00 N ATOM 893 CA PRO A 60 -4.836 -11.416 -0.146 1.00 0.00 C ATOM 894 C PRO A 60 -3.404 -10.918 0.010 1.00 0.00 C ATOM 895 O PRO A 60 -2.902 -10.180 -0.836 1.00 0.00 O ATOM 896 CB PRO A 60 -4.905 -12.524 -1.208 1.00 0.00 C ATOM 897 CG PRO A 60 -6.089 -12.189 -2.052 1.00 0.00 C ATOM 898 CD PRO A 60 -6.230 -10.695 -1.997 1.00 0.00 C ATOM 0 HA PRO A 60 -5.147 -11.753 0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.993 -12.554 -1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.016 -13.505 -0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.945 -12.529 -3.077 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.987 -12.679 -1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.660 -10.206 -2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.268 -10.382 -2.112 1.00 0.00 H new ATOM 906 N ASP A 61 -2.752 -11.335 1.089 1.00 0.00 N ATOM 907 CA ASP A 61 -1.366 -10.946 1.359 1.00 0.00 C ATOM 908 C ASP A 61 -0.476 -11.338 0.189 1.00 0.00 C ATOM 909 O ASP A 61 0.505 -10.662 -0.136 1.00 0.00 O ATOM 910 CB ASP A 61 -0.867 -11.616 2.650 1.00 0.00 C ATOM 911 CG ASP A 61 -0.606 -13.108 2.505 1.00 0.00 C ATOM 912 OD1 ASP A 61 -1.508 -13.836 2.034 1.00 0.00 O ATOM 913 OD2 ASP A 61 0.502 -13.561 2.859 1.00 0.00 O ATOM 0 H ASP A 61 -3.160 -11.946 1.797 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.324 -9.864 1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.052 -11.125 2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.604 -11.460 3.438 1.00 0.00 H new ATOM 918 N ASP A 62 -0.860 -12.432 -0.448 1.00 0.00 N ATOM 919 CA ASP A 62 -0.172 -12.956 -1.614 1.00 0.00 C ATOM 920 C ASP A 62 -0.163 -11.945 -2.762 1.00 0.00 C ATOM 921 O ASP A 62 0.747 -11.944 -3.588 1.00 0.00 O ATOM 922 CB ASP A 62 -0.855 -14.254 -2.057 1.00 0.00 C ATOM 923 CG ASP A 62 -0.195 -14.900 -3.258 1.00 0.00 C ATOM 924 OD1 ASP A 62 0.852 -15.564 -3.084 1.00 0.00 O ATOM 925 OD2 ASP A 62 -0.738 -14.784 -4.376 1.00 0.00 O ATOM 0 H ASP A 62 -1.668 -12.987 -0.166 1.00 0.00 H new ATOM 0 HA ASP A 62 0.866 -13.154 -1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.852 -14.960 -1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.898 -14.045 -2.293 1.00 0.00 H new ATOM 930 N ASP A 63 -1.160 -11.065 -2.797 1.00 0.00 N ATOM 931 CA ASP A 63 -1.278 -10.102 -3.883 1.00 0.00 C ATOM 932 C ASP A 63 -0.408 -8.872 -3.616 1.00 0.00 C ATOM 933 O ASP A 63 0.195 -8.329 -4.542 1.00 0.00 O ATOM 934 CB ASP A 63 -2.741 -9.688 -4.082 1.00 0.00 C ATOM 935 CG ASP A 63 -2.994 -9.037 -5.436 1.00 0.00 C ATOM 936 OD1 ASP A 63 -2.711 -7.834 -5.591 1.00 0.00 O ATOM 937 OD2 ASP A 63 -3.486 -9.735 -6.356 1.00 0.00 O ATOM 0 H ASP A 63 -1.892 -11.000 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.926 -10.579 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.379 -10.566 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.028 -8.994 -3.292 1.00 0.00 H new ATOM 942 N VAL A 64 -0.302 -8.453 -2.343 1.00 0.00 N ATOM 943 CA VAL A 64 0.479 -7.259 -2.004 1.00 0.00 C ATOM 944 C VAL A 64 1.939 -7.440 -2.407 1.00 0.00 C ATOM 945 O VAL A 64 2.539 -6.551 -2.995 1.00 0.00 O ATOM 946 CB VAL A 64 0.425 -6.898 -0.497 1.00 0.00 C ATOM 947 CG1 VAL A 64 1.082 -5.549 -0.255 1.00 0.00 C ATOM 948 CG2 VAL A 64 -1.008 -6.891 0.026 1.00 0.00 C ATOM 0 H VAL A 64 -0.740 -8.916 -1.547 1.00 0.00 H new ATOM 0 HA VAL A 64 0.023 -6.440 -2.561 1.00 0.00 H new ATOM 0 HB VAL A 64 0.974 -7.665 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.037 -5.308 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.123 -5.589 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.557 -4.781 -0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.007 -6.634 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.593 -6.155 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.449 -7.879 -0.107 1.00 0.00 H new ATOM 958 N LYS A 65 2.504 -8.604 -2.115 1.00 0.00 N ATOM 959 CA LYS A 65 3.900 -8.863 -2.450 1.00 0.00 C ATOM 960 C LYS A 65 4.059 -9.234 -3.923 1.00 0.00 C ATOM 961 O LYS A 65 5.171 -9.445 -4.404 1.00 0.00 O ATOM 962 CB LYS A 65 4.486 -9.951 -1.535 1.00 0.00 C ATOM 963 CG LYS A 65 3.703 -11.260 -1.496 1.00 0.00 C ATOM 964 CD LYS A 65 3.910 -12.093 -2.753 1.00 0.00 C ATOM 965 CE LYS A 65 3.297 -13.478 -2.614 1.00 0.00 C ATOM 966 NZ LYS A 65 3.478 -14.292 -3.844 1.00 0.00 N ATOM 0 H LYS A 65 2.025 -9.376 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 65 4.461 -7.943 -2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.505 -10.165 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.550 -9.555 -0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.009 -11.839 -0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.642 -11.043 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.465 -11.582 -3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.977 -12.185 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.752 -13.993 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.233 -13.384 -2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.685 -14.958 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.506 -13.666 -4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.370 -14.823 -3.781 1.00 0.00 H new ATOM 980 N ASN A 66 2.940 -9.311 -4.632 1.00 0.00 N ATOM 981 CA ASN A 66 2.961 -9.639 -6.052 1.00 0.00 C ATOM 982 C ASN A 66 3.006 -8.359 -6.876 1.00 0.00 C ATOM 983 O ASN A 66 3.398 -8.366 -8.042 1.00 0.00 O ATOM 984 CB ASN A 66 1.743 -10.493 -6.437 1.00 0.00 C ATOM 985 CG ASN A 66 1.861 -11.094 -7.830 1.00 0.00 C ATOM 986 OD1 ASN A 66 2.492 -12.134 -8.016 1.00 0.00 O ATOM 987 ND2 ASN A 66 1.230 -10.469 -8.808 1.00 0.00 N ATOM 0 H ASN A 66 2.009 -9.151 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 66 3.855 -10.225 -6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.623 -11.295 -5.709 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.844 -9.879 -6.386 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.256 -10.847 -9.755 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.717 -9.609 -8.616 1.00 0.00 H new ATOM 994 N LEU A 67 2.620 -7.254 -6.252 1.00 0.00 N ATOM 995 CA LEU A 67 2.699 -5.951 -6.892 1.00 0.00 C ATOM 996 C LEU A 67 4.012 -5.269 -6.527 1.00 0.00 C ATOM 997 O LEU A 67 4.372 -5.171 -5.355 1.00 0.00 O ATOM 998 CB LEU A 67 1.485 -5.090 -6.514 1.00 0.00 C ATOM 999 CG LEU A 67 1.164 -5.016 -5.019 1.00 0.00 C ATOM 1000 CD1 LEU A 67 1.717 -3.740 -4.393 1.00 0.00 C ATOM 1001 CD2 LEU A 67 -0.335 -5.118 -4.793 1.00 0.00 C ATOM 0 H LEU A 67 2.249 -7.236 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 67 2.680 -6.082 -7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.652 -4.078 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.610 -5.478 -7.036 1.00 0.00 H new ATOM 0 HG LEU A 67 1.649 -5.861 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.471 -3.720 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.800 -3.714 -4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.276 -2.873 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.546 -5.064 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.837 -4.297 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.699 -6.067 -5.187 1.00 0.00 H new ATOM 1013 N LYS A 68 4.738 -4.813 -7.541 1.00 0.00 N ATOM 1014 CA LYS A 68 6.073 -4.259 -7.334 1.00 0.00 C ATOM 1015 C LYS A 68 6.041 -2.736 -7.252 1.00 0.00 C ATOM 1016 O LYS A 68 7.081 -2.093 -7.140 1.00 0.00 O ATOM 1017 CB LYS A 68 7.030 -4.713 -8.448 1.00 0.00 C ATOM 1018 CG LYS A 68 7.451 -6.180 -8.359 1.00 0.00 C ATOM 1019 CD LYS A 68 6.291 -7.123 -8.629 1.00 0.00 C ATOM 1020 CE LYS A 68 6.691 -8.580 -8.471 1.00 0.00 C ATOM 1021 NZ LYS A 68 7.701 -8.996 -9.478 1.00 0.00 N ATOM 0 H LYS A 68 4.427 -4.815 -8.512 1.00 0.00 H new ATOM 0 HA LYS A 68 6.440 -4.639 -6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.552 -4.543 -9.413 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.923 -4.089 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.249 -6.372 -9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.858 -6.381 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.473 -6.896 -7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.917 -6.958 -9.639 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.092 -8.739 -7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.807 -9.210 -8.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.844 -10.025 -9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.366 -8.745 -10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.601 -8.510 -9.288 1.00 0.00 H new ATOM 1035 N THR A 69 4.849 -2.157 -7.302 1.00 0.00 N ATOM 1036 CA THR A 69 4.690 -0.719 -7.143 1.00 0.00 C ATOM 1037 C THR A 69 3.632 -0.445 -6.090 1.00 0.00 C ATOM 1038 O THR A 69 2.652 -1.183 -5.989 1.00 0.00 O ATOM 1039 CB THR A 69 4.282 -0.026 -8.463 1.00 0.00 C ATOM 1040 OG1 THR A 69 3.024 -0.539 -8.915 1.00 0.00 O ATOM 1041 CG2 THR A 69 5.336 -0.237 -9.535 1.00 0.00 C ATOM 0 H THR A 69 3.976 -2.663 -7.452 1.00 0.00 H new ATOM 0 HA THR A 69 5.654 -0.312 -6.838 1.00 0.00 H new ATOM 0 HB THR A 69 4.192 1.044 -8.273 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.771 -0.094 -9.751 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.025 0.260 -10.454 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.285 0.181 -9.199 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.456 -1.304 -9.723 1.00 0.00 H new ATOM 1049 N VAL A 70 3.824 0.603 -5.301 1.00 0.00 N ATOM 1050 CA VAL A 70 2.857 0.939 -4.269 1.00 0.00 C ATOM 1051 C VAL A 70 1.531 1.331 -4.906 1.00 0.00 C ATOM 1052 O VAL A 70 0.462 0.963 -4.419 1.00 0.00 O ATOM 1053 CB VAL A 70 3.376 2.067 -3.342 1.00 0.00 C ATOM 1054 CG1 VAL A 70 4.065 3.153 -4.142 1.00 0.00 C ATOM 1055 CG2 VAL A 70 2.244 2.655 -2.513 1.00 0.00 C ATOM 0 H VAL A 70 4.629 1.227 -5.355 1.00 0.00 H new ATOM 0 HA VAL A 70 2.706 0.056 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 70 4.106 1.628 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.420 3.932 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.911 2.727 -4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.361 3.583 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.635 3.444 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.485 3.069 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.800 1.873 -1.897 1.00 0.00 H new ATOM 1065 N GLY A 71 1.616 2.024 -6.033 1.00 0.00 N ATOM 1066 CA GLY A 71 0.430 2.486 -6.710 1.00 0.00 C ATOM 1067 C GLY A 71 -0.445 1.354 -7.198 1.00 0.00 C ATOM 1068 O GLY A 71 -1.670 1.488 -7.229 1.00 0.00 O ATOM 0 H GLY A 71 2.493 2.274 -6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.146 3.118 -6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.720 3.107 -7.558 1.00 0.00 H new ATOM 1072 N ASP A 72 0.178 0.237 -7.574 1.00 0.00 N ATOM 1073 CA ASP A 72 -0.567 -0.942 -8.006 1.00 0.00 C ATOM 1074 C ASP A 72 -1.469 -1.406 -6.875 1.00 0.00 C ATOM 1075 O ASP A 72 -2.673 -1.570 -7.060 1.00 0.00 O ATOM 1076 CB ASP A 72 0.382 -2.073 -8.414 1.00 0.00 C ATOM 1077 CG ASP A 72 -0.314 -3.169 -9.203 1.00 0.00 C ATOM 1078 OD1 ASP A 72 -0.881 -4.094 -8.586 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -0.273 -3.115 -10.455 1.00 0.00 O ATOM 0 H ASP A 72 1.192 0.125 -7.588 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.169 -0.677 -8.875 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.195 -1.661 -9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.831 -2.505 -7.520 1.00 0.00 H new ATOM 1084 N ALA A 73 -0.877 -1.571 -5.691 1.00 0.00 N ATOM 1085 CA ALA A 73 -1.632 -1.926 -4.492 1.00 0.00 C ATOM 1086 C ALA A 73 -2.734 -0.937 -4.247 1.00 0.00 C ATOM 1087 O ALA A 73 -3.874 -1.307 -4.021 1.00 0.00 O ATOM 1088 CB ALA A 73 -0.751 -1.926 -3.265 1.00 0.00 C ATOM 0 H ALA A 73 0.126 -1.464 -5.538 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.037 -2.924 -4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.344 -2.194 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.053 -2.651 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.325 -0.933 -3.123 1.00 0.00 H new ATOM 1094 N THR A 74 -2.367 0.328 -4.283 1.00 0.00 N ATOM 1095 CA THR A 74 -3.281 1.383 -3.932 1.00 0.00 C ATOM 1096 C THR A 74 -4.511 1.350 -4.832 1.00 0.00 C ATOM 1097 O THR A 74 -5.634 1.283 -4.345 1.00 0.00 O ATOM 1098 CB THR A 74 -2.609 2.764 -4.011 1.00 0.00 C ATOM 1099 OG1 THR A 74 -1.245 2.688 -3.576 1.00 0.00 O ATOM 1100 CG2 THR A 74 -3.333 3.735 -3.114 1.00 0.00 C ATOM 0 H THR A 74 -1.436 0.646 -4.554 1.00 0.00 H new ATOM 0 HA THR A 74 -3.590 1.216 -2.900 1.00 0.00 H new ATOM 0 HB THR A 74 -2.646 3.099 -5.048 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.703 2.260 -4.272 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.853 4.712 -3.173 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.372 3.821 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.298 3.376 -2.086 1.00 0.00 H new ATOM 1108 N LYS A 75 -4.294 1.341 -6.143 1.00 0.00 N ATOM 1109 CA LYS A 75 -5.395 1.337 -7.100 1.00 0.00 C ATOM 1110 C LYS A 75 -6.179 0.025 -6.994 1.00 0.00 C ATOM 1111 O LYS A 75 -7.403 0.004 -7.147 1.00 0.00 O ATOM 1112 CB LYS A 75 -4.859 1.535 -8.521 1.00 0.00 C ATOM 1113 CG LYS A 75 -5.808 2.303 -9.432 1.00 0.00 C ATOM 1114 CD LYS A 75 -6.009 3.735 -8.946 1.00 0.00 C ATOM 1115 CE LYS A 75 -6.892 4.537 -9.892 1.00 0.00 C ATOM 1116 NZ LYS A 75 -8.190 3.861 -10.145 1.00 0.00 N ATOM 0 H LYS A 75 -3.366 1.336 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.070 2.161 -6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.909 2.066 -8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.656 0.559 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.411 2.314 -10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.770 1.792 -9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.459 3.722 -7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.040 4.225 -8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.074 5.525 -9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.370 4.686 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.826 4.509 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.032 3.010 -10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.622 3.590 -9.239 1.00 0.00 H new ATOM 1130 N TYR A 76 -5.458 -1.058 -6.711 1.00 0.00 N ATOM 1131 CA TYR A 76 -6.064 -2.367 -6.470 1.00 0.00 C ATOM 1132 C TYR A 76 -6.969 -2.299 -5.241 1.00 0.00 C ATOM 1133 O TYR A 76 -8.116 -2.755 -5.268 1.00 0.00 O ATOM 1134 CB TYR A 76 -4.953 -3.403 -6.258 1.00 0.00 C ATOM 1135 CG TYR A 76 -5.413 -4.839 -6.176 1.00 0.00 C ATOM 1136 CD1 TYR A 76 -5.486 -5.620 -7.316 1.00 0.00 C ATOM 1137 CD2 TYR A 76 -5.737 -5.422 -4.958 1.00 0.00 C ATOM 1138 CE1 TYR A 76 -5.870 -6.942 -7.249 1.00 0.00 C ATOM 1139 CE2 TYR A 76 -6.115 -6.748 -4.881 1.00 0.00 C ATOM 1140 CZ TYR A 76 -6.184 -7.502 -6.031 1.00 0.00 C ATOM 1141 OH TYR A 76 -6.542 -8.831 -5.963 1.00 0.00 O ATOM 0 H TYR A 76 -4.440 -1.054 -6.642 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.668 -2.659 -7.329 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.237 -3.315 -7.075 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.421 -3.157 -5.339 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.238 -5.187 -8.274 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.693 -4.829 -4.057 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.924 -7.537 -8.149 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.355 -7.190 -3.925 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.743 -9.390 -6.062 1.00 0.00 H new ATOM 1151 N ILE A 77 -6.438 -1.706 -4.175 1.00 0.00 N ATOM 1152 CA ILE A 77 -7.176 -1.511 -2.937 1.00 0.00 C ATOM 1153 C ILE A 77 -8.431 -0.686 -3.186 1.00 0.00 C ATOM 1154 O ILE A 77 -9.526 -1.046 -2.756 1.00 0.00 O ATOM 1155 CB ILE A 77 -6.298 -0.817 -1.865 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -5.277 -1.802 -1.299 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -7.152 -0.236 -0.743 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.257 -1.156 -0.388 1.00 0.00 C ATOM 0 H ILE A 77 -5.483 -1.348 -4.148 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.463 -2.495 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.768 0.006 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.803 -2.582 -0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.758 -2.290 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.508 0.244 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -7.843 0.500 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.717 -1.036 -0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.564 -1.914 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.705 -0.396 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.766 -0.692 0.457 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.254 0.397 -3.921 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.324 1.343 -4.195 1.00 0.00 C ATOM 1172 C LEU A 78 -10.479 0.694 -4.958 1.00 0.00 C ATOM 1173 O LEU A 78 -11.624 1.136 -4.862 1.00 0.00 O ATOM 1174 CB LEU A 78 -8.753 2.517 -4.989 1.00 0.00 C ATOM 1175 CG LEU A 78 -7.622 3.274 -4.289 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -7.069 4.357 -5.201 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -8.134 3.876 -2.994 1.00 0.00 C ATOM 0 H LEU A 78 -7.362 0.647 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.729 1.694 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -8.386 2.146 -5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.560 3.217 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.815 2.578 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.265 4.887 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.682 3.902 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.863 5.059 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.326 4.414 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.950 4.566 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.495 3.081 -2.341 1.00 0.00 H new ATOM 1189 N ASP A 79 -10.177 -0.356 -5.708 1.00 0.00 N ATOM 1190 CA ASP A 79 -11.187 -1.032 -6.512 1.00 0.00 C ATOM 1191 C ASP A 79 -11.909 -2.116 -5.713 1.00 0.00 C ATOM 1192 O ASP A 79 -13.084 -2.395 -5.949 1.00 0.00 O ATOM 1193 CB ASP A 79 -10.543 -1.642 -7.759 1.00 0.00 C ATOM 1194 CG ASP A 79 -11.541 -2.365 -8.641 1.00 0.00 C ATOM 1195 OD1 ASP A 79 -12.474 -1.713 -9.154 1.00 0.00 O ATOM 1196 OD2 ASP A 79 -11.382 -3.582 -8.850 1.00 0.00 O ATOM 0 H ASP A 79 -9.242 -0.758 -5.777 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.927 -0.289 -6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.060 -0.853 -8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.762 -2.339 -7.455 1.00 0.00 H new ATOM 1201 N HIS A 80 -11.212 -2.709 -4.748 1.00 0.00 N ATOM 1202 CA HIS A 80 -11.744 -3.862 -4.017 1.00 0.00 C ATOM 1203 C HIS A 80 -11.958 -3.552 -2.540 1.00 0.00 C ATOM 1204 O HIS A 80 -11.865 -4.446 -1.695 1.00 0.00 O ATOM 1205 CB HIS A 80 -10.799 -5.060 -4.149 1.00 0.00 C ATOM 1206 CG HIS A 80 -10.752 -5.650 -5.521 1.00 0.00 C ATOM 1207 ND1 HIS A 80 -11.344 -6.846 -5.844 1.00 0.00 N ATOM 1208 CD2 HIS A 80 -10.189 -5.193 -6.661 1.00 0.00 C ATOM 1209 CE1 HIS A 80 -11.141 -7.104 -7.122 1.00 0.00 C ATOM 1210 NE2 HIS A 80 -10.445 -6.113 -7.647 1.00 0.00 N ATOM 0 H HIS A 80 -10.281 -2.414 -4.453 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.711 -4.102 -4.459 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.794 -4.750 -3.864 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.107 -5.832 -3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.638 -4.271 -6.776 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.487 -7.980 -7.650 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.148 -6.043 -8.620 1.00 0.00 H new ATOM 1219 N GLN A 81 -12.259 -2.302 -2.224 1.00 0.00 N ATOM 1220 CA GLN A 81 -12.444 -1.911 -0.836 1.00 0.00 C ATOM 1221 C GLN A 81 -13.892 -2.091 -0.393 1.00 0.00 C ATOM 1222 O GLN A 81 -14.815 -2.061 -1.215 1.00 0.00 O ATOM 1223 CB GLN A 81 -12.000 -0.465 -0.617 1.00 0.00 C ATOM 1224 CG GLN A 81 -12.866 0.567 -1.323 1.00 0.00 C ATOM 1225 CD GLN A 81 -12.408 1.991 -1.055 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -11.799 2.219 0.103 1.00 0.00 O flip ATOM 1227 NE2 GLN A 81 -12.595 2.881 -1.882 1.00 0.00 N flip ATOM 0 H GLN A 81 -12.379 -1.549 -2.901 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.821 -2.566 -0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.002 -0.254 0.452 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.972 -0.356 -0.961 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.848 0.379 -2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.900 0.454 -0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.067 2.669 -2.761 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.279 3.831 -1.689 1.00 0.00 H new ATOM 1236 N ALA A 82 -14.062 -2.270 0.915 1.00 0.00 N ATOM 1237 CA ALA A 82 -15.368 -2.426 1.549 1.00 0.00 C ATOM 1238 C ALA A 82 -16.170 -3.572 0.942 1.00 0.00 C ATOM 1239 O ALA A 82 -17.258 -3.313 0.384 1.00 0.00 O ATOM 1240 CB ALA A 82 -16.148 -1.120 1.475 1.00 0.00 C ATOM 1241 OXT ALA A 82 -15.717 -4.730 1.033 1.00 0.00 O ATOM 0 H ALA A 82 -13.284 -2.311 1.574 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.197 -2.679 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.120 -1.249 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.593 -0.335 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.290 -0.839 0.431 1.00 0.00 H new TER 1247 ALA A 82