USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 450 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 18 CYS SG : rot 105:sc= -0.651! USER MOD Set 1.2: A 67 CYS SG : rot 76:sc= 1.11 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 84:sc= 1.29 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.0414 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -44:sc= 0.53 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.2) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 3 5.433 4.746 -1.969 1.00 1.42 N ATOM 26 CA SER A 3 6.205 5.369 -3.038 1.00 74.12 C ATOM 27 C SER A 3 7.051 4.333 -3.772 1.00 34.32 C ATOM 28 O SER A 3 8.121 4.646 -4.293 1.00 21.23 O ATOM 29 CB SER A 3 7.104 6.470 -2.473 1.00 14.03 C ATOM 30 OG SER A 3 7.201 7.561 -3.372 1.00 31.01 O ATOM 0 HA SER A 3 5.505 5.810 -3.748 1.00 74.12 H new ATOM 0 HB2 SER A 3 6.706 6.815 -1.519 1.00 14.03 H new ATOM 0 HB3 SER A 3 8.098 6.067 -2.276 1.00 14.03 H new ATOM 0 HG SER A 3 7.780 8.252 -2.987 1.00 31.01 H new ATOM 36 N TRP A 4 6.562 3.098 -3.808 1.00 3.22 N ATOM 37 CA TRP A 4 7.273 2.015 -4.477 1.00 72.44 C ATOM 38 C TRP A 4 6.977 2.012 -5.973 1.00 41.21 C ATOM 39 O TRP A 4 7.874 1.816 -6.792 1.00 64.40 O ATOM 40 CB TRP A 4 6.884 0.668 -3.866 1.00 31.32 C ATOM 41 CG TRP A 4 7.345 -0.507 -4.674 1.00 65.10 C ATOM 42 CD1 TRP A 4 6.755 -1.012 -5.797 1.00 71.11 C ATOM 43 CD2 TRP A 4 8.493 -1.324 -4.420 1.00 23.21 C ATOM 44 NE1 TRP A 4 7.467 -2.094 -6.256 1.00 74.05 N ATOM 45 CE2 TRP A 4 8.538 -2.305 -5.430 1.00 30.44 C ATOM 46 CE3 TRP A 4 9.489 -1.321 -3.439 1.00 73.41 C ATOM 47 CZ2 TRP A 4 9.538 -3.273 -5.483 1.00 40.45 C ATOM 48 CZ3 TRP A 4 10.480 -2.282 -3.494 1.00 24.22 C ATOM 49 CH2 TRP A 4 10.500 -3.246 -4.510 1.00 72.44 C ATOM 0 H TRP A 4 5.677 2.822 -3.382 1.00 3.22 H new ATOM 0 HA TRP A 4 8.342 2.175 -4.337 1.00 72.44 H new ATOM 0 HB2 TRP A 4 7.305 0.597 -2.863 1.00 31.32 H new ATOM 0 HB3 TRP A 4 5.800 0.625 -3.761 1.00 31.32 H new ATOM 0 HD1 TRP A 4 5.860 -0.619 -6.257 1.00 71.11 H new ATOM 0 HE1 TRP A 4 7.235 -2.650 -7.079 1.00 74.05 H new ATOM 0 HE3 TRP A 4 9.484 -0.581 -2.652 1.00 73.41 H new ATOM 0 HZ2 TRP A 4 9.554 -4.019 -6.264 1.00 40.45 H new ATOM 0 HZ3 TRP A 4 11.253 -2.290 -2.740 1.00 24.22 H new ATOM 0 HH2 TRP A 4 11.290 -3.982 -4.526 1.00 72.44 H new ATOM 60 N ALA A 5 5.714 2.232 -6.323 1.00 11.04 N ATOM 61 CA ALA A 5 5.301 2.257 -7.720 1.00 43.34 C ATOM 62 C ALA A 5 6.091 3.298 -8.507 1.00 71.11 C ATOM 63 O ALA A 5 6.611 3.011 -9.585 1.00 21.45 O ATOM 64 CB ALA A 5 3.809 2.534 -7.825 1.00 51.22 C ATOM 0 H ALA A 5 4.959 2.396 -5.657 1.00 11.04 H new ATOM 0 HA ALA A 5 5.508 1.278 -8.152 1.00 43.34 H new ATOM 0 HB1 ALA A 5 3.515 2.550 -8.874 1.00 51.22 H new ATOM 0 HB2 ALA A 5 3.256 1.752 -7.305 1.00 51.22 H new ATOM 0 HB3 ALA A 5 3.585 3.499 -7.371 1.00 51.22 H new ATOM 70 N GLU A 6 6.175 4.507 -7.961 1.00 42.23 N ATOM 71 CA GLU A 6 6.901 5.590 -8.615 1.00 15.55 C ATOM 72 C GLU A 6 8.377 5.238 -8.775 1.00 34.23 C ATOM 73 O GLU A 6 8.951 5.395 -9.852 1.00 54.54 O ATOM 74 CB GLU A 6 6.758 6.886 -7.812 1.00 65.43 C ATOM 75 CG GLU A 6 6.294 8.069 -8.644 1.00 51.13 C ATOM 76 CD GLU A 6 4.980 7.804 -9.353 1.00 13.01 C ATOM 77 OE1 GLU A 6 4.225 6.923 -8.891 1.00 15.01 O ATOM 78 OE2 GLU A 6 4.707 8.477 -10.369 1.00 35.33 O ATOM 0 H GLU A 6 5.750 4.761 -7.069 1.00 42.23 H new ATOM 0 HA GLU A 6 6.471 5.735 -9.606 1.00 15.55 H new ATOM 0 HB2 GLU A 6 6.050 6.724 -7.000 1.00 65.43 H new ATOM 0 HB3 GLU A 6 7.717 7.128 -7.355 1.00 65.43 H new ATOM 0 HG2 GLU A 6 6.185 8.941 -8.000 1.00 51.13 H new ATOM 0 HG3 GLU A 6 7.058 8.311 -9.382 1.00 51.13 H new ATOM 85 N PHE A 7 8.985 4.760 -7.694 1.00 43.33 N ATOM 86 CA PHE A 7 10.395 4.387 -7.713 1.00 72.53 C ATOM 87 C PHE A 7 10.642 3.247 -8.697 1.00 70.24 C ATOM 88 O PHE A 7 11.654 3.224 -9.398 1.00 41.31 O ATOM 89 CB PHE A 7 10.854 3.975 -6.313 1.00 61.10 C ATOM 90 CG PHE A 7 11.519 5.085 -5.550 1.00 61.40 C ATOM 91 CD1 PHE A 7 10.769 6.110 -4.998 1.00 12.22 C ATOM 92 CD2 PHE A 7 12.895 5.102 -5.385 1.00 52.55 C ATOM 93 CE1 PHE A 7 11.378 7.133 -4.295 1.00 33.33 C ATOM 94 CE2 PHE A 7 13.509 6.122 -4.683 1.00 61.01 C ATOM 95 CZ PHE A 7 12.750 7.139 -4.138 1.00 52.01 C ATOM 0 H PHE A 7 8.524 4.622 -6.795 1.00 43.33 H new ATOM 0 HA PHE A 7 10.971 5.254 -8.036 1.00 72.53 H new ATOM 0 HB2 PHE A 7 9.993 3.620 -5.747 1.00 61.10 H new ATOM 0 HB3 PHE A 7 11.546 3.137 -6.398 1.00 61.10 H new ATOM 0 HD1 PHE A 7 9.696 6.110 -5.118 1.00 12.22 H new ATOM 0 HD2 PHE A 7 13.494 4.310 -5.809 1.00 52.55 H new ATOM 0 HE1 PHE A 7 10.782 7.926 -3.869 1.00 33.33 H new ATOM 0 HE2 PHE A 7 14.582 6.124 -4.561 1.00 61.01 H new ATOM 0 HZ PHE A 7 13.228 7.937 -3.590 1.00 52.01 H new ATOM 105 N LYS A 8 9.710 2.301 -8.744 1.00 70.10 N ATOM 106 CA LYS A 8 9.824 1.157 -9.642 1.00 11.55 C ATOM 107 C LYS A 8 9.764 1.602 -11.099 1.00 44.04 C ATOM 108 O LYS A 8 10.519 1.111 -11.938 1.00 63.11 O ATOM 109 CB LYS A 8 8.709 0.148 -9.359 1.00 52.21 C ATOM 110 CG LYS A 8 8.788 -1.102 -10.218 1.00 22.23 C ATOM 111 CD LYS A 8 9.939 -1.999 -9.792 1.00 14.11 C ATOM 112 CE LYS A 8 9.475 -3.430 -9.565 1.00 4.32 C ATOM 113 NZ LYS A 8 10.623 -4.370 -9.431 1.00 13.55 N ATOM 0 H LYS A 8 8.867 2.304 -8.170 1.00 70.10 H new ATOM 0 HA LYS A 8 10.789 0.682 -9.465 1.00 11.55 H new ATOM 0 HB2 LYS A 8 8.749 -0.140 -8.309 1.00 52.21 H new ATOM 0 HB3 LYS A 8 7.745 0.630 -9.521 1.00 52.21 H new ATOM 0 HG2 LYS A 8 7.850 -1.653 -10.147 1.00 22.23 H new ATOM 0 HG3 LYS A 8 8.913 -0.819 -11.263 1.00 22.23 H new ATOM 0 HD2 LYS A 8 10.716 -1.984 -10.557 1.00 14.11 H new ATOM 0 HD3 LYS A 8 10.385 -1.610 -8.877 1.00 14.11 H new ATOM 0 HE2 LYS A 8 8.862 -3.475 -8.665 1.00 4.32 H new ATOM 0 HE3 LYS A 8 8.844 -3.744 -10.397 1.00 4.32 H new ATOM 0 HZ1 LYS A 8 10.266 -5.335 -9.278 1.00 13.55 H new ATOM 0 HZ2 LYS A 8 11.194 -4.346 -10.300 1.00 13.55 H new ATOM 0 HZ3 LYS A 8 11.212 -4.086 -8.622 1.00 13.55 H new ATOM 127 N GLN A 9 8.864 2.534 -11.393 1.00 12.43 N ATOM 128 CA GLN A 9 8.708 3.045 -12.750 1.00 34.14 C ATOM 129 C GLN A 9 9.973 3.761 -13.211 1.00 14.12 C ATOM 130 O GLN A 9 10.548 3.422 -14.245 1.00 33.30 O ATOM 131 CB GLN A 9 7.512 3.997 -12.825 1.00 24.44 C ATOM 132 CG GLN A 9 6.541 3.666 -13.946 1.00 51.02 C ATOM 133 CD GLN A 9 6.191 4.875 -14.791 1.00 10.44 C ATOM 134 OE1 GLN A 9 5.174 5.532 -14.564 1.00 42.00 O ATOM 135 NE2 GLN A 9 7.034 5.177 -15.771 1.00 71.13 N ATOM 0 H GLN A 9 8.231 2.951 -10.710 1.00 12.43 H new ATOM 0 HA GLN A 9 8.531 2.198 -13.412 1.00 34.14 H new ATOM 0 HB2 GLN A 9 6.979 3.973 -11.875 1.00 24.44 H new ATOM 0 HB3 GLN A 9 7.877 5.015 -12.960 1.00 24.44 H new ATOM 0 HG2 GLN A 9 6.976 2.896 -14.583 1.00 51.02 H new ATOM 0 HG3 GLN A 9 5.629 3.249 -13.520 1.00 51.02 H new ATOM 0 HE21 GLN A 9 7.865 4.605 -15.923 1.00 71.13 H new ATOM 0 HE22 GLN A 9 6.851 5.981 -16.371 1.00 71.13 H new ATOM 144 N ARG A 10 10.400 4.754 -12.437 1.00 62.51 N ATOM 145 CA ARG A 10 11.596 5.519 -12.767 1.00 65.34 C ATOM 146 C ARG A 10 12.801 4.598 -12.940 1.00 33.51 C ATOM 147 O ARG A 10 13.568 4.733 -13.894 1.00 3.44 O ATOM 148 CB ARG A 10 11.884 6.552 -11.677 1.00 13.41 C ATOM 149 CG ARG A 10 10.800 7.609 -11.539 1.00 0.22 C ATOM 150 CD ARG A 10 10.456 7.867 -10.080 1.00 75.52 C ATOM 151 NE ARG A 10 11.032 9.117 -9.594 1.00 24.11 N ATOM 152 CZ ARG A 10 10.846 9.583 -8.364 1.00 25.31 C ATOM 153 NH1 ARG A 10 10.103 8.905 -7.500 1.00 64.20 N ATOM 154 NH2 ARG A 10 11.405 10.729 -7.996 1.00 31.34 N ATOM 0 H ARG A 10 9.935 5.047 -11.578 1.00 62.51 H new ATOM 0 HA ARG A 10 11.417 6.036 -13.710 1.00 65.34 H new ATOM 0 HB2 ARG A 10 12.002 6.038 -10.723 1.00 13.41 H new ATOM 0 HB3 ARG A 10 12.833 7.043 -11.895 1.00 13.41 H new ATOM 0 HG2 ARG A 10 11.133 8.536 -12.005 1.00 0.22 H new ATOM 0 HG3 ARG A 10 9.906 7.287 -12.073 1.00 0.22 H new ATOM 0 HD2 ARG A 10 9.373 7.898 -9.963 1.00 75.52 H new ATOM 0 HD3 ARG A 10 10.819 7.040 -9.470 1.00 75.52 H new ATOM 0 HE ARG A 10 11.609 9.663 -10.234 1.00 24.11 H new ATOM 0 HH11 ARG A 10 9.673 8.023 -7.779 1.00 64.20 H new ATOM 0 HH12 ARG A 10 9.962 9.265 -6.556 1.00 64.20 H new ATOM 0 HH21 ARG A 10 11.978 11.253 -8.658 1.00 31.34 H new ATOM 0 HH22 ARG A 10 11.262 11.086 -7.051 1.00 31.34 H new ATOM 168 N LEU A 11 12.960 3.661 -12.011 1.00 43.13 N ATOM 169 CA LEU A 11 14.071 2.717 -12.060 1.00 5.12 C ATOM 170 C LEU A 11 13.996 1.851 -13.313 1.00 41.33 C ATOM 171 O LEU A 11 15.016 1.546 -13.931 1.00 32.43 O ATOM 172 CB LEU A 11 14.068 1.831 -10.813 1.00 62.21 C ATOM 173 CG LEU A 11 14.960 2.291 -9.660 1.00 2.53 C ATOM 174 CD1 LEU A 11 14.182 2.298 -8.353 1.00 23.41 C ATOM 175 CD2 LEU A 11 16.189 1.401 -9.547 1.00 32.30 C ATOM 0 H LEU A 11 12.334 3.535 -11.216 1.00 43.13 H new ATOM 0 HA LEU A 11 14.999 3.288 -12.091 1.00 5.12 H new ATOM 0 HB2 LEU A 11 13.044 1.758 -10.447 1.00 62.21 H new ATOM 0 HB3 LEU A 11 14.375 0.827 -11.105 1.00 62.21 H new ATOM 0 HG LEU A 11 15.292 3.308 -9.867 1.00 2.53 H new ATOM 0 HD11 LEU A 11 14.833 2.628 -7.544 1.00 23.41 H new ATOM 0 HD12 LEU A 11 13.335 2.979 -8.438 1.00 23.41 H new ATOM 0 HD13 LEU A 11 13.820 1.292 -8.140 1.00 23.41 H new ATOM 0 HD21 LEU A 11 16.812 1.744 -8.721 1.00 32.30 H new ATOM 0 HD22 LEU A 11 15.878 0.372 -9.364 1.00 32.30 H new ATOM 0 HD23 LEU A 11 16.759 1.448 -10.475 1.00 32.30 H new ATOM 187 N ALA A 12 12.781 1.461 -13.685 1.00 1.24 N ATOM 188 CA ALA A 12 12.572 0.634 -14.867 1.00 3.52 C ATOM 189 C ALA A 12 13.023 1.359 -16.130 1.00 44.43 C ATOM 190 O ALA A 12 13.713 0.787 -16.973 1.00 64.40 O ATOM 191 CB ALA A 12 11.109 0.235 -14.979 1.00 75.24 C ATOM 0 H ALA A 12 11.926 1.705 -13.184 1.00 1.24 H new ATOM 0 HA ALA A 12 13.176 -0.267 -14.762 1.00 3.52 H new ATOM 0 HB1 ALA A 12 10.967 -0.382 -15.866 1.00 75.24 H new ATOM 0 HB2 ALA A 12 10.817 -0.330 -14.094 1.00 75.24 H new ATOM 0 HB3 ALA A 12 10.493 1.131 -15.058 1.00 75.24 H new ATOM 197 N ALA A 13 12.628 2.622 -16.255 1.00 45.24 N ATOM 198 CA ALA A 13 12.994 3.425 -17.416 1.00 14.44 C ATOM 199 C ALA A 13 14.501 3.643 -17.480 1.00 45.20 C ATOM 200 O ALA A 13 15.103 3.569 -18.552 1.00 4.12 O ATOM 201 CB ALA A 13 12.266 4.761 -17.383 1.00 3.54 C ATOM 0 H ALA A 13 12.055 3.111 -15.567 1.00 45.24 H new ATOM 0 HA ALA A 13 12.694 2.882 -18.312 1.00 14.44 H new ATOM 0 HB1 ALA A 13 12.548 5.351 -18.255 1.00 3.54 H new ATOM 0 HB2 ALA A 13 11.190 4.589 -17.394 1.00 3.54 H new ATOM 0 HB3 ALA A 13 12.538 5.301 -16.476 1.00 3.54 H new ATOM 207 N ILE A 14 15.105 3.912 -16.328 1.00 4.44 N ATOM 208 CA ILE A 14 16.543 4.140 -16.254 1.00 42.52 C ATOM 209 C ILE A 14 17.319 2.879 -16.618 1.00 1.12 C ATOM 210 O ILE A 14 18.356 2.943 -17.279 1.00 1.24 O ATOM 211 CB ILE A 14 16.969 4.604 -14.848 1.00 74.04 C ATOM 212 CG1 ILE A 14 16.273 5.918 -14.489 1.00 14.24 C ATOM 213 CG2 ILE A 14 18.480 4.762 -14.778 1.00 1.12 C ATOM 214 CD1 ILE A 14 16.133 6.140 -12.999 1.00 22.12 C ATOM 0 H ILE A 14 14.621 3.977 -15.433 1.00 4.44 H new ATOM 0 HA ILE A 14 16.775 4.926 -16.972 1.00 42.52 H new ATOM 0 HB ILE A 14 16.669 3.846 -14.124 1.00 74.04 H new ATOM 0 HG12 ILE A 14 16.834 6.747 -14.921 1.00 14.24 H new ATOM 0 HG13 ILE A 14 15.283 5.932 -14.945 1.00 14.24 H new ATOM 0 HG21 ILE A 14 18.766 5.090 -13.779 1.00 1.12 H new ATOM 0 HG22 ILE A 14 18.956 3.806 -14.996 1.00 1.12 H new ATOM 0 HG23 ILE A 14 18.803 5.503 -15.509 1.00 1.12 H new ATOM 0 HD11 ILE A 14 15.631 7.090 -12.818 1.00 22.12 H new ATOM 0 HD12 ILE A 14 15.546 5.331 -12.564 1.00 22.12 H new ATOM 0 HD13 ILE A 14 17.121 6.159 -12.539 1.00 22.12 H new ATOM 226 N LYS A 15 16.809 1.732 -16.183 1.00 62.45 N ATOM 227 CA LYS A 15 17.451 0.453 -16.465 1.00 43.21 C ATOM 228 C LYS A 15 17.373 0.121 -17.952 1.00 24.13 C ATOM 229 O LYS A 15 18.347 -0.342 -18.548 1.00 11.35 O ATOM 230 CB LYS A 15 16.795 -0.662 -15.647 1.00 41.44 C ATOM 231 CG LYS A 15 17.789 -1.638 -15.043 1.00 71.41 C ATOM 232 CD LYS A 15 17.502 -1.887 -13.572 1.00 4.23 C ATOM 233 CE LYS A 15 16.512 -3.026 -13.381 1.00 43.41 C ATOM 234 NZ LYS A 15 17.177 -4.261 -12.883 1.00 24.25 N ATOM 0 H LYS A 15 15.953 1.662 -15.634 1.00 62.45 H new ATOM 0 HA LYS A 15 18.501 0.532 -16.183 1.00 43.21 H new ATOM 0 HB2 LYS A 15 16.205 -0.215 -14.847 1.00 41.44 H new ATOM 0 HB3 LYS A 15 16.102 -1.210 -16.286 1.00 41.44 H new ATOM 0 HG2 LYS A 15 17.750 -2.582 -15.587 1.00 71.41 H new ATOM 0 HG3 LYS A 15 18.800 -1.246 -15.156 1.00 71.41 H new ATOM 0 HD2 LYS A 15 18.432 -2.121 -13.054 1.00 4.23 H new ATOM 0 HD3 LYS A 15 17.105 -0.979 -13.119 1.00 4.23 H new ATOM 0 HE2 LYS A 15 15.739 -2.721 -12.676 1.00 43.41 H new ATOM 0 HE3 LYS A 15 16.015 -3.238 -14.328 1.00 43.41 H new ATOM 0 HZ1 LYS A 15 16.469 -5.014 -12.766 1.00 24.25 H new ATOM 0 HZ2 LYS A 15 17.898 -4.567 -13.567 1.00 24.25 H new ATOM 0 HZ3 LYS A 15 17.630 -4.066 -11.967 1.00 24.25 H new ATOM 248 N THR A 16 16.209 0.361 -18.547 1.00 60.10 N ATOM 249 CA THR A 16 16.004 0.088 -19.964 1.00 24.42 C ATOM 250 C THR A 16 16.932 0.935 -20.827 1.00 21.11 C ATOM 251 O THR A 16 17.665 0.411 -21.666 1.00 52.33 O ATOM 252 CB THR A 16 14.546 0.354 -20.383 1.00 2.45 C ATOM 253 OG1 THR A 16 13.649 -0.187 -19.406 1.00 43.04 O ATOM 254 CG2 THR A 16 14.253 -0.259 -21.743 1.00 41.04 C ATOM 0 H THR A 16 15.393 0.744 -18.069 1.00 60.10 H new ATOM 0 HA THR A 16 16.231 -0.967 -20.118 1.00 24.42 H new ATOM 0 HB THR A 16 14.402 1.432 -20.450 1.00 2.45 H new ATOM 0 HG1 THR A 16 13.535 0.456 -18.675 1.00 43.04 H new ATOM 0 HG21 THR A 16 13.217 -0.058 -22.017 1.00 41.04 H new ATOM 0 HG22 THR A 16 14.917 0.177 -22.489 1.00 41.04 H new ATOM 0 HG23 THR A 16 14.414 -1.336 -21.699 1.00 41.04 H new ATOM 262 N ARG A 17 16.896 2.246 -20.615 1.00 2.41 N ATOM 263 CA ARG A 17 17.734 3.166 -21.375 1.00 1.45 C ATOM 264 C ARG A 17 19.213 2.907 -21.101 1.00 53.11 C ATOM 265 O ARG A 17 20.058 3.090 -21.978 1.00 72.33 O ATOM 266 CB ARG A 17 17.386 4.614 -21.024 1.00 40.34 C ATOM 267 CG ARG A 17 16.480 5.286 -22.043 1.00 14.22 C ATOM 268 CD ARG A 17 15.016 4.961 -21.786 1.00 64.14 C ATOM 269 NE ARG A 17 14.267 6.129 -21.332 1.00 4.31 N ATOM 270 CZ ARG A 17 13.807 7.070 -22.148 1.00 53.35 C ATOM 271 NH1 ARG A 17 14.017 6.980 -23.454 1.00 40.45 N ATOM 272 NH2 ARG A 17 13.134 8.104 -21.659 1.00 74.21 N ATOM 0 H ARG A 17 16.296 2.695 -19.923 1.00 2.41 H new ATOM 0 HA ARG A 17 17.544 3.000 -22.435 1.00 1.45 H new ATOM 0 HB2 ARG A 17 16.901 4.636 -20.048 1.00 40.34 H new ATOM 0 HB3 ARG A 17 18.308 5.189 -20.935 1.00 40.34 H new ATOM 0 HG2 ARG A 17 16.626 6.365 -22.006 1.00 14.22 H new ATOM 0 HG3 ARG A 17 16.755 4.961 -23.046 1.00 14.22 H new ATOM 0 HD2 ARG A 17 14.565 4.574 -22.700 1.00 64.14 H new ATOM 0 HD3 ARG A 17 14.946 4.172 -21.037 1.00 64.14 H new ATOM 0 HE ARG A 17 14.087 6.228 -20.333 1.00 4.31 H new ATOM 0 HH11 ARG A 17 14.533 6.186 -23.834 1.00 40.45 H new ATOM 0 HH12 ARG A 17 13.663 7.704 -24.079 1.00 40.45 H new ATOM 0 HH21 ARG A 17 12.969 8.177 -20.655 1.00 74.21 H new ATOM 0 HH22 ARG A 17 12.781 8.826 -22.287 1.00 74.21 H new ATOM 286 N CYS A 18 19.517 2.481 -19.880 1.00 43.43 N ATOM 287 CA CYS A 18 20.894 2.198 -19.491 1.00 1.24 C ATOM 288 C CYS A 18 21.403 0.933 -20.173 1.00 61.23 C ATOM 289 O CYS A 18 22.556 0.867 -20.597 1.00 64.35 O ATOM 290 CB CYS A 18 20.996 2.049 -17.972 1.00 11.01 C ATOM 291 SG CYS A 18 22.500 1.216 -17.411 1.00 55.11 S ATOM 0 H CYS A 18 18.829 2.324 -19.143 1.00 43.43 H new ATOM 0 HA CYS A 18 21.515 3.035 -19.810 1.00 1.24 H new ATOM 0 HB2 CYS A 18 20.950 3.038 -17.517 1.00 11.01 H new ATOM 0 HB3 CYS A 18 20.130 1.493 -17.613 1.00 11.01 H new ATOM 0 HG CYS A 18 23.323 2.093 -16.916 1.00 55.11 H new ATOM 297 N GLN A 19 20.535 -0.069 -20.274 1.00 4.02 N ATOM 298 CA GLN A 19 20.899 -1.333 -20.903 1.00 34.31 C ATOM 299 C GLN A 19 21.049 -1.167 -22.411 1.00 71.35 C ATOM 300 O GLN A 19 21.916 -1.784 -23.030 1.00 51.31 O ATOM 301 CB GLN A 19 19.846 -2.400 -20.598 1.00 33.14 C ATOM 302 CG GLN A 19 19.756 -2.762 -19.124 1.00 23.50 C ATOM 303 CD GLN A 19 20.189 -4.189 -18.846 1.00 43.44 C ATOM 304 OE1 GLN A 19 19.361 -5.096 -18.764 1.00 62.23 O ATOM 305 NE2 GLN A 19 21.493 -4.394 -18.700 1.00 41.24 N ATOM 0 H GLN A 19 19.576 -0.030 -19.929 1.00 4.02 H new ATOM 0 HA GLN A 19 21.858 -1.651 -20.494 1.00 34.31 H new ATOM 0 HB2 GLN A 19 18.873 -2.045 -20.937 1.00 33.14 H new ATOM 0 HB3 GLN A 19 20.075 -3.299 -21.171 1.00 33.14 H new ATOM 0 HG2 GLN A 19 20.379 -2.078 -18.547 1.00 23.50 H new ATOM 0 HG3 GLN A 19 18.730 -2.624 -18.782 1.00 23.50 H new ATOM 0 HE21 GLN A 19 22.144 -3.612 -18.776 1.00 41.24 H new ATOM 0 HE22 GLN A 19 21.844 -5.333 -18.512 1.00 41.24 H new ATOM 314 N ALA A 20 20.198 -0.331 -22.997 1.00 44.04 N ATOM 315 CA ALA A 20 20.238 -0.083 -24.433 1.00 51.12 C ATOM 316 C ALA A 20 21.320 0.932 -24.785 1.00 50.23 C ATOM 317 O ALA A 20 21.896 0.889 -25.873 1.00 63.41 O ATOM 318 CB ALA A 20 18.880 0.399 -24.923 1.00 63.42 C ATOM 0 H ALA A 20 19.473 0.186 -22.500 1.00 44.04 H new ATOM 0 HA ALA A 20 20.481 -1.021 -24.932 1.00 51.12 H new ATOM 0 HB1 ALA A 20 18.924 0.580 -25.997 1.00 63.42 H new ATOM 0 HB2 ALA A 20 18.127 -0.361 -24.714 1.00 63.42 H new ATOM 0 HB3 ALA A 20 18.615 1.323 -24.410 1.00 63.42 H new ATOM 324 N LEU A 21 21.591 1.846 -23.860 1.00 21.21 N ATOM 325 CA LEU A 21 22.604 2.873 -24.073 1.00 4.41 C ATOM 326 C LEU A 21 22.375 3.599 -25.395 1.00 31.30 C ATOM 327 O LEU A 21 23.315 4.096 -26.014 1.00 21.44 O ATOM 328 CB LEU A 21 24.002 2.251 -24.055 1.00 53.14 C ATOM 329 CG LEU A 21 24.524 1.812 -22.687 1.00 12.21 C ATOM 330 CD1 LEU A 21 24.562 0.295 -22.592 1.00 31.14 C ATOM 331 CD2 LEU A 21 25.904 2.399 -22.429 1.00 51.43 C ATOM 0 H LEU A 21 21.123 1.897 -22.955 1.00 21.21 H new ATOM 0 HA LEU A 21 22.525 3.598 -23.263 1.00 4.41 H new ATOM 0 HB2 LEU A 21 24.001 1.384 -24.716 1.00 53.14 H new ATOM 0 HB3 LEU A 21 24.704 2.971 -24.475 1.00 53.14 H new ATOM 0 HG LEU A 21 23.843 2.187 -21.923 1.00 12.21 H new ATOM 0 HD11 LEU A 21 24.936 0.001 -21.611 1.00 31.14 H new ATOM 0 HD12 LEU A 21 23.557 -0.104 -22.731 1.00 31.14 H new ATOM 0 HD13 LEU A 21 25.220 -0.102 -23.365 1.00 31.14 H new ATOM 0 HD21 LEU A 21 26.260 2.076 -21.451 1.00 51.43 H new ATOM 0 HD22 LEU A 21 26.595 2.055 -23.198 1.00 51.43 H new ATOM 0 HD23 LEU A 21 25.847 3.487 -22.453 1.00 51.43 H new ATOM 343 N GLY A 22 21.117 3.657 -25.822 1.00 11.34 N ATOM 344 CA GLY A 22 20.786 4.326 -27.066 1.00 60.35 C ATOM 345 C GLY A 22 20.446 5.789 -26.866 1.00 53.21 C ATOM 346 O GLY A 22 20.414 6.563 -27.822 1.00 72.21 O ATOM 0 H GLY A 22 20.321 3.252 -25.328 1.00 11.34 H new ATOM 0 HA2 GLY A 22 21.627 4.243 -27.754 1.00 60.35 H new ATOM 0 HA3 GLY A 22 19.941 3.820 -27.533 1.00 60.35 H new ATOM 393 N GLU A 27 23.843 11.626 -21.849 1.00 3.11 N ATOM 394 CA GLU A 27 22.703 11.200 -21.046 1.00 51.31 C ATOM 395 C GLU A 27 23.127 10.173 -20.000 1.00 50.23 C ATOM 396 O GLU A 27 22.600 10.151 -18.887 1.00 44.31 O ATOM 397 CB GLU A 27 21.611 10.611 -21.942 1.00 45.32 C ATOM 398 CG GLU A 27 20.616 11.642 -22.446 1.00 54.22 C ATOM 399 CD GLU A 27 19.509 11.922 -21.447 1.00 64.23 C ATOM 400 OE1 GLU A 27 19.353 11.125 -20.498 1.00 40.40 O ATOM 401 OE2 GLU A 27 18.800 12.936 -21.615 1.00 25.13 O ATOM 0 HA GLU A 27 22.307 12.075 -20.531 1.00 51.31 H new ATOM 0 HB2 GLU A 27 22.079 10.122 -22.796 1.00 45.32 H new ATOM 0 HB3 GLU A 27 21.074 9.841 -21.388 1.00 45.32 H new ATOM 0 HG2 GLU A 27 21.142 12.570 -22.669 1.00 54.22 H new ATOM 0 HG3 GLU A 27 20.177 11.292 -23.380 1.00 54.22 H new ATOM 408 N CYS A 28 24.081 9.324 -20.366 1.00 53.25 N ATOM 409 CA CYS A 28 24.575 8.293 -19.461 1.00 63.02 C ATOM 410 C CYS A 28 24.959 8.892 -18.112 1.00 42.32 C ATOM 411 O CYS A 28 24.615 8.352 -17.061 1.00 52.34 O ATOM 412 CB CYS A 28 25.780 7.579 -20.077 1.00 54.30 C ATOM 413 SG CYS A 28 25.484 6.934 -21.740 1.00 42.11 S ATOM 0 H CYS A 28 24.528 9.329 -21.283 1.00 53.25 H new ATOM 0 HA CYS A 28 23.775 7.570 -19.303 1.00 63.02 H new ATOM 0 HB2 CYS A 28 26.621 8.272 -20.112 1.00 54.30 H new ATOM 0 HB3 CYS A 28 26.073 6.755 -19.426 1.00 54.30 H new ATOM 0 HG CYS A 28 26.560 6.350 -22.177 1.00 42.11 H new ATOM 419 N ALA A 29 25.676 10.011 -18.150 1.00 32.11 N ATOM 420 CA ALA A 29 26.106 10.684 -16.931 1.00 24.33 C ATOM 421 C ALA A 29 24.920 10.980 -16.019 1.00 64.10 C ATOM 422 O ALA A 29 24.916 10.601 -14.848 1.00 74.33 O ATOM 423 CB ALA A 29 26.847 11.969 -17.270 1.00 62.44 C ATOM 0 H ALA A 29 25.971 10.470 -19.012 1.00 32.11 H new ATOM 0 HA ALA A 29 26.783 10.017 -16.398 1.00 24.33 H new ATOM 0 HB1 ALA A 29 27.162 12.461 -16.350 1.00 62.44 H new ATOM 0 HB2 ALA A 29 27.723 11.735 -17.875 1.00 62.44 H new ATOM 0 HB3 ALA A 29 26.187 12.633 -17.829 1.00 62.44 H new ATOM 429 N ALA A 30 23.917 11.660 -16.563 1.00 50.34 N ATOM 430 CA ALA A 30 22.725 12.006 -15.799 1.00 40.10 C ATOM 431 C ALA A 30 22.084 10.764 -15.190 1.00 31.30 C ATOM 432 O ALA A 30 21.542 10.811 -14.085 1.00 63.53 O ATOM 433 CB ALA A 30 21.726 12.739 -16.682 1.00 71.00 C ATOM 0 H ALA A 30 23.906 11.983 -17.531 1.00 50.34 H new ATOM 0 HA ALA A 30 23.025 12.665 -14.984 1.00 40.10 H new ATOM 0 HB1 ALA A 30 20.841 12.991 -16.098 1.00 71.00 H new ATOM 0 HB2 ALA A 30 22.181 13.653 -17.065 1.00 71.00 H new ATOM 0 HB3 ALA A 30 21.440 12.099 -17.517 1.00 71.00 H new ATOM 439 N PHE A 31 22.148 9.653 -15.917 1.00 41.43 N ATOM 440 CA PHE A 31 21.572 8.398 -15.449 1.00 50.30 C ATOM 441 C PHE A 31 22.278 7.913 -14.186 1.00 42.43 C ATOM 442 O PHE A 31 21.635 7.593 -13.188 1.00 12.35 O ATOM 443 CB PHE A 31 21.665 7.331 -16.541 1.00 65.22 C ATOM 444 CG PHE A 31 20.378 7.120 -17.285 1.00 51.12 C ATOM 445 CD1 PHE A 31 19.539 8.188 -17.560 1.00 73.44 C ATOM 446 CD2 PHE A 31 20.007 5.854 -17.709 1.00 55.20 C ATOM 447 CE1 PHE A 31 18.353 7.997 -18.245 1.00 42.23 C ATOM 448 CE2 PHE A 31 18.823 5.658 -18.395 1.00 34.25 C ATOM 449 CZ PHE A 31 17.994 6.730 -18.662 1.00 4.41 C ATOM 0 H PHE A 31 22.593 9.597 -16.833 1.00 41.43 H new ATOM 0 HA PHE A 31 20.523 8.575 -15.212 1.00 50.30 H new ATOM 0 HB2 PHE A 31 22.443 7.615 -17.250 1.00 65.22 H new ATOM 0 HB3 PHE A 31 21.974 6.388 -16.091 1.00 65.22 H new ATOM 0 HD1 PHE A 31 19.814 9.181 -17.236 1.00 73.44 H new ATOM 0 HD2 PHE A 31 20.650 5.011 -17.501 1.00 55.20 H new ATOM 0 HE1 PHE A 31 17.708 8.838 -18.454 1.00 42.23 H new ATOM 0 HE2 PHE A 31 18.546 4.667 -18.722 1.00 34.25 H new ATOM 0 HZ PHE A 31 17.067 6.578 -19.196 1.00 4.41 H new ATOM 459 N GLU A 32 23.606 7.862 -14.241 1.00 35.15 N ATOM 460 CA GLU A 32 24.399 7.415 -13.102 1.00 21.32 C ATOM 461 C GLU A 32 24.103 8.261 -11.867 1.00 24.22 C ATOM 462 O GLU A 32 23.895 7.734 -10.774 1.00 24.52 O ATOM 463 CB GLU A 32 25.891 7.481 -13.434 1.00 42.40 C ATOM 464 CG GLU A 32 26.793 7.244 -12.234 1.00 40.24 C ATOM 465 CD GLU A 32 27.597 8.473 -11.857 1.00 11.23 C ATOM 466 OE1 GLU A 32 27.056 9.593 -11.970 1.00 14.12 O ATOM 467 OE2 GLU A 32 28.766 8.316 -11.449 1.00 23.34 O ATOM 0 H GLU A 32 24.154 8.124 -15.061 1.00 35.15 H new ATOM 0 HA GLU A 32 24.128 6.382 -12.886 1.00 21.32 H new ATOM 0 HB2 GLU A 32 26.117 6.739 -14.200 1.00 42.40 H new ATOM 0 HB3 GLU A 32 26.117 8.458 -13.860 1.00 42.40 H new ATOM 0 HG2 GLU A 32 26.186 6.937 -11.383 1.00 40.24 H new ATOM 0 HG3 GLU A 32 27.474 6.422 -12.453 1.00 40.24 H new ATOM 474 N LYS A 33 24.087 9.577 -12.049 1.00 21.14 N ATOM 475 CA LYS A 33 23.817 10.498 -10.951 1.00 53.13 C ATOM 476 C LYS A 33 22.446 10.228 -10.340 1.00 14.32 C ATOM 477 O LYS A 33 22.316 10.085 -9.125 1.00 11.04 O ATOM 478 CB LYS A 33 23.892 11.945 -11.443 1.00 11.41 C ATOM 479 CG LYS A 33 25.155 12.670 -11.010 1.00 15.12 C ATOM 480 CD LYS A 33 25.785 13.430 -12.164 1.00 50.44 C ATOM 481 CE LYS A 33 26.819 14.433 -11.674 1.00 34.44 C ATOM 482 NZ LYS A 33 27.374 15.248 -12.789 1.00 52.10 N ATOM 0 H LYS A 33 24.258 10.030 -12.947 1.00 21.14 H new ATOM 0 HA LYS A 33 24.575 10.342 -10.183 1.00 53.13 H new ATOM 0 HB2 LYS A 33 23.833 11.953 -12.531 1.00 11.41 H new ATOM 0 HB3 LYS A 33 23.024 12.491 -11.073 1.00 11.41 H new ATOM 0 HG2 LYS A 33 24.919 13.363 -10.202 1.00 15.12 H new ATOM 0 HG3 LYS A 33 25.871 11.950 -10.613 1.00 15.12 H new ATOM 0 HD2 LYS A 33 26.256 12.726 -12.850 1.00 50.44 H new ATOM 0 HD3 LYS A 33 25.009 13.951 -12.725 1.00 50.44 H new ATOM 0 HE2 LYS A 33 26.364 15.092 -10.935 1.00 34.44 H new ATOM 0 HE3 LYS A 33 27.629 13.903 -11.173 1.00 34.44 H new ATOM 0 HZ1 LYS A 33 28.074 15.919 -12.413 1.00 52.10 H new ATOM 0 HZ2 LYS A 33 27.831 14.622 -13.482 1.00 52.10 H new ATOM 0 HZ3 LYS A 33 26.605 15.773 -13.251 1.00 52.10 H new ATOM 496 N GLU A 34 21.426 10.159 -11.190 1.00 43.35 N ATOM 497 CA GLU A 34 20.065 9.906 -10.732 1.00 65.21 C ATOM 498 C GLU A 34 20.009 8.653 -9.862 1.00 52.41 C ATOM 499 O GLU A 34 19.425 8.664 -8.778 1.00 5.23 O ATOM 500 CB GLU A 34 19.121 9.754 -11.926 1.00 63.55 C ATOM 501 CG GLU A 34 17.924 10.688 -11.879 1.00 44.43 C ATOM 502 CD GLU A 34 16.959 10.344 -10.762 1.00 1.23 C ATOM 503 OE1 GLU A 34 17.335 10.509 -9.582 1.00 60.01 O ATOM 504 OE2 GLU A 34 15.829 9.910 -11.066 1.00 54.21 O ATOM 0 H GLU A 34 21.517 10.275 -12.199 1.00 43.35 H new ATOM 0 HA GLU A 34 19.746 10.759 -10.133 1.00 65.21 H new ATOM 0 HB2 GLU A 34 19.678 9.938 -12.845 1.00 63.55 H new ATOM 0 HB3 GLU A 34 18.766 8.724 -11.969 1.00 63.55 H new ATOM 0 HG2 GLU A 34 18.272 11.713 -11.750 1.00 44.43 H new ATOM 0 HG3 GLU A 34 17.399 10.647 -12.833 1.00 44.43 H new ATOM 511 N ILE A 35 20.618 7.576 -10.346 1.00 1.23 N ATOM 512 CA ILE A 35 20.638 6.316 -9.613 1.00 14.53 C ATOM 513 C ILE A 35 21.293 6.486 -8.246 1.00 73.31 C ATOM 514 O ILE A 35 20.782 6.000 -7.237 1.00 62.34 O ATOM 515 CB ILE A 35 21.385 5.221 -10.396 1.00 2.12 C ATOM 516 CG1 ILE A 35 20.664 4.922 -11.711 1.00 72.35 C ATOM 517 CG2 ILE A 35 21.509 3.960 -9.554 1.00 61.44 C ATOM 518 CD1 ILE A 35 19.309 4.277 -11.524 1.00 75.43 C ATOM 0 H ILE A 35 21.104 7.550 -11.242 1.00 1.23 H new ATOM 0 HA ILE A 35 19.600 6.011 -9.480 1.00 14.53 H new ATOM 0 HB ILE A 35 22.388 5.580 -10.628 1.00 2.12 H new ATOM 0 HG12 ILE A 35 20.541 5.851 -12.268 1.00 72.35 H new ATOM 0 HG13 ILE A 35 21.289 4.266 -12.318 1.00 72.35 H new ATOM 0 HG21 ILE A 35 22.039 3.195 -10.121 1.00 61.44 H new ATOM 0 HG22 ILE A 35 22.062 4.184 -8.642 1.00 61.44 H new ATOM 0 HG23 ILE A 35 20.515 3.596 -9.295 1.00 61.44 H new ATOM 0 HD11 ILE A 35 18.856 4.094 -12.498 1.00 75.43 H new ATOM 0 HD12 ILE A 35 19.426 3.331 -10.995 1.00 75.43 H new ATOM 0 HD13 ILE A 35 18.667 4.940 -10.944 1.00 75.43 H new ATOM 530 N ALA A 36 22.426 7.180 -8.221 1.00 73.11 N ATOM 531 CA ALA A 36 23.149 7.417 -6.978 1.00 11.10 C ATOM 532 C ALA A 36 22.250 8.075 -5.937 1.00 10.51 C ATOM 533 O ALA A 36 22.202 7.647 -4.784 1.00 42.03 O ATOM 534 CB ALA A 36 24.377 8.277 -7.238 1.00 12.24 C ATOM 0 H ALA A 36 22.863 7.588 -9.048 1.00 73.11 H new ATOM 0 HA ALA A 36 23.471 6.453 -6.584 1.00 11.10 H new ATOM 0 HB1 ALA A 36 24.908 8.446 -6.301 1.00 12.24 H new ATOM 0 HB2 ALA A 36 25.036 7.767 -7.941 1.00 12.24 H new ATOM 0 HB3 ALA A 36 24.068 9.234 -7.658 1.00 12.24 H new ATOM 540 N ALA A 37 21.539 9.120 -6.351 1.00 24.42 N ATOM 541 CA ALA A 37 20.641 9.836 -5.454 1.00 42.10 C ATOM 542 C ALA A 37 19.473 8.954 -5.027 1.00 53.03 C ATOM 543 O ALA A 37 18.985 9.054 -3.901 1.00 64.21 O ATOM 544 CB ALA A 37 20.131 11.105 -6.121 1.00 20.10 C ATOM 0 H ALA A 37 21.568 9.489 -7.302 1.00 24.42 H new ATOM 0 HA ALA A 37 21.202 10.109 -4.560 1.00 42.10 H new ATOM 0 HB1 ALA A 37 19.461 11.630 -5.440 1.00 20.10 H new ATOM 0 HB2 ALA A 37 20.974 11.750 -6.370 1.00 20.10 H new ATOM 0 HB3 ALA A 37 19.592 10.846 -7.032 1.00 20.10 H new ATOM 550 N PHE A 38 19.027 8.091 -5.934 1.00 51.02 N ATOM 551 CA PHE A 38 17.914 7.192 -5.652 1.00 12.21 C ATOM 552 C PHE A 38 18.239 6.276 -4.476 1.00 24.10 C ATOM 553 O PHE A 38 17.497 6.220 -3.496 1.00 60.53 O ATOM 554 CB PHE A 38 17.581 6.355 -6.888 1.00 75.14 C ATOM 555 CG PHE A 38 16.247 6.687 -7.496 1.00 24.45 C ATOM 556 CD1 PHE A 38 15.959 7.979 -7.903 1.00 43.13 C ATOM 557 CD2 PHE A 38 15.282 5.706 -7.658 1.00 10.01 C ATOM 558 CE1 PHE A 38 14.734 8.288 -8.463 1.00 34.33 C ATOM 559 CE2 PHE A 38 14.055 6.009 -8.217 1.00 72.40 C ATOM 560 CZ PHE A 38 13.780 7.301 -8.619 1.00 12.22 C ATOM 0 H PHE A 38 19.419 7.995 -6.871 1.00 51.02 H new ATOM 0 HA PHE A 38 17.048 7.799 -5.388 1.00 12.21 H new ATOM 0 HB2 PHE A 38 18.359 6.502 -7.637 1.00 75.14 H new ATOM 0 HB3 PHE A 38 17.595 5.299 -6.617 1.00 75.14 H new ATOM 0 HD1 PHE A 38 16.701 8.754 -7.781 1.00 43.13 H new ATOM 0 HD2 PHE A 38 15.491 4.694 -7.344 1.00 10.01 H new ATOM 0 HE1 PHE A 38 14.523 9.299 -8.778 1.00 34.33 H new ATOM 0 HE2 PHE A 38 13.311 5.235 -8.339 1.00 72.40 H new ATOM 0 HZ PHE A 38 12.821 7.540 -9.055 1.00 12.22 H new ATOM 570 N GLU A 39 19.354 5.560 -4.582 1.00 64.24 N ATOM 571 CA GLU A 39 19.777 4.645 -3.529 1.00 5.14 C ATOM 572 C GLU A 39 20.094 5.405 -2.244 1.00 24.34 C ATOM 573 O GLU A 39 19.772 4.950 -1.146 1.00 3.32 O ATOM 574 CB GLU A 39 21.003 3.847 -3.977 1.00 61.45 C ATOM 575 CG GLU A 39 22.190 4.716 -4.357 1.00 23.34 C ATOM 576 CD GLU A 39 23.371 3.905 -4.854 1.00 44.21 C ATOM 577 OE1 GLU A 39 23.322 3.431 -6.008 1.00 24.20 O ATOM 578 OE2 GLU A 39 24.345 3.746 -4.088 1.00 63.15 O ATOM 0 H GLU A 39 19.980 5.596 -5.386 1.00 64.24 H new ATOM 0 HA GLU A 39 18.956 3.955 -3.331 1.00 5.14 H new ATOM 0 HB2 GLU A 39 21.300 3.172 -3.174 1.00 61.45 H new ATOM 0 HB3 GLU A 39 20.730 3.226 -4.830 1.00 61.45 H new ATOM 0 HG2 GLU A 39 21.887 5.421 -5.131 1.00 23.34 H new ATOM 0 HG3 GLU A 39 22.496 5.305 -3.492 1.00 23.34 H new ATOM 585 N SER A 40 20.728 6.564 -2.389 1.00 62.14 N ATOM 586 CA SER A 40 21.093 7.385 -1.241 1.00 42.21 C ATOM 587 C SER A 40 19.849 7.928 -0.544 1.00 43.44 C ATOM 588 O SER A 40 19.851 8.151 0.666 1.00 52.33 O ATOM 589 CB SER A 40 21.992 8.543 -1.680 1.00 61.43 C ATOM 590 OG SER A 40 21.222 9.647 -2.122 1.00 1.22 O ATOM 0 H SER A 40 21.000 6.956 -3.291 1.00 62.14 H new ATOM 0 HA SER A 40 21.639 6.758 -0.536 1.00 42.21 H new ATOM 0 HB2 SER A 40 22.628 8.849 -0.849 1.00 61.43 H new ATOM 0 HB3 SER A 40 22.652 8.212 -2.482 1.00 61.43 H new ATOM 0 HG SER A 40 20.495 9.329 -2.698 1.00 1.22 H new ATOM 596 N GLU A 41 18.789 8.139 -1.319 1.00 24.02 N ATOM 597 CA GLU A 41 17.539 8.657 -0.776 1.00 71.04 C ATOM 598 C GLU A 41 16.725 7.542 -0.125 1.00 42.32 C ATOM 599 O GLU A 41 16.010 7.769 0.852 1.00 42.42 O ATOM 600 CB GLU A 41 16.717 9.325 -1.880 1.00 54.52 C ATOM 601 CG GLU A 41 17.014 10.806 -2.049 1.00 22.10 C ATOM 602 CD GLU A 41 16.319 11.663 -1.009 1.00 54.03 C ATOM 603 OE1 GLU A 41 15.126 11.415 -0.737 1.00 33.34 O ATOM 604 OE2 GLU A 41 16.968 12.582 -0.468 1.00 42.33 O ATOM 0 H GLU A 41 18.771 7.959 -2.323 1.00 24.02 H new ATOM 0 HA GLU A 41 17.782 9.398 -0.014 1.00 71.04 H new ATOM 0 HB2 GLU A 41 16.909 8.815 -2.824 1.00 54.52 H new ATOM 0 HB3 GLU A 41 15.657 9.199 -1.659 1.00 54.52 H new ATOM 0 HG2 GLU A 41 18.090 10.966 -1.986 1.00 22.10 H new ATOM 0 HG3 GLU A 41 16.702 11.124 -3.044 1.00 22.10 H new ATOM 611 N LEU A 42 16.839 6.338 -0.673 1.00 74.43 N ATOM 612 CA LEU A 42 16.114 5.186 -0.147 1.00 54.21 C ATOM 613 C LEU A 42 16.734 4.703 1.160 1.00 62.12 C ATOM 614 O LEU A 42 16.032 4.232 2.054 1.00 72.53 O ATOM 615 CB LEU A 42 16.107 4.051 -1.172 1.00 72.13 C ATOM 616 CG LEU A 42 15.253 4.279 -2.420 1.00 64.24 C ATOM 617 CD1 LEU A 42 15.866 3.575 -3.621 1.00 73.15 C ATOM 618 CD2 LEU A 42 13.829 3.798 -2.187 1.00 54.14 C ATOM 0 H LEU A 42 17.426 6.133 -1.481 1.00 74.43 H new ATOM 0 HA LEU A 42 15.087 5.494 0.051 1.00 54.21 H new ATOM 0 HB2 LEU A 42 17.134 3.867 -1.488 1.00 72.13 H new ATOM 0 HB3 LEU A 42 15.758 3.144 -0.678 1.00 72.13 H new ATOM 0 HG LEU A 42 15.224 5.349 -2.627 1.00 64.24 H new ATOM 0 HD11 LEU A 42 15.245 3.748 -4.500 1.00 73.15 H new ATOM 0 HD12 LEU A 42 16.867 3.967 -3.801 1.00 73.15 H new ATOM 0 HD13 LEU A 42 15.926 2.505 -3.424 1.00 73.15 H new ATOM 0 HD21 LEU A 42 13.236 3.968 -3.086 1.00 54.14 H new ATOM 0 HD22 LEU A 42 13.838 2.733 -1.955 1.00 54.14 H new ATOM 0 HD23 LEU A 42 13.391 4.348 -1.354 1.00 54.14 H new ATOM 630 N GLN A 43 18.054 4.825 1.263 1.00 15.54 N ATOM 631 CA GLN A 43 18.768 4.402 2.462 1.00 12.20 C ATOM 632 C GLN A 43 18.418 5.295 3.648 1.00 35.31 C ATOM 633 O GLN A 43 18.610 4.913 4.802 1.00 13.42 O ATOM 634 CB GLN A 43 20.278 4.428 2.217 1.00 14.15 C ATOM 635 CG GLN A 43 20.870 5.828 2.221 1.00 65.25 C ATOM 636 CD GLN A 43 21.802 6.065 3.393 1.00 34.32 C ATOM 637 OE1 GLN A 43 22.808 5.374 3.551 1.00 64.52 O ATOM 638 NE2 GLN A 43 21.470 7.046 4.224 1.00 33.11 N ATOM 0 H GLN A 43 18.650 5.213 0.531 1.00 15.54 H new ATOM 0 HA GLN A 43 18.462 3.382 2.696 1.00 12.20 H new ATOM 0 HB2 GLN A 43 20.773 3.831 2.983 1.00 14.15 H new ATOM 0 HB3 GLN A 43 20.490 3.955 1.258 1.00 14.15 H new ATOM 0 HG2 GLN A 43 21.414 5.991 1.291 1.00 65.25 H new ATOM 0 HG3 GLN A 43 20.063 6.560 2.250 1.00 65.25 H new ATOM 0 HE21 GLN A 43 20.627 7.594 4.055 1.00 33.11 H new ATOM 0 HE22 GLN A 43 22.058 7.251 5.031 1.00 33.11 H new ATOM 647 N ALA A 44 17.903 6.485 3.355 1.00 31.53 N ATOM 648 CA ALA A 44 17.524 7.430 4.398 1.00 44.53 C ATOM 649 C ALA A 44 16.221 7.013 5.071 1.00 41.44 C ATOM 650 O ALA A 44 15.941 7.409 6.202 1.00 1.33 O ATOM 651 CB ALA A 44 17.396 8.831 3.818 1.00 45.41 C ATOM 0 H ALA A 44 17.739 6.817 2.405 1.00 31.53 H new ATOM 0 HA ALA A 44 18.308 7.431 5.155 1.00 44.53 H new ATOM 0 HB1 ALA A 44 17.112 9.527 4.607 1.00 45.41 H new ATOM 0 HB2 ALA A 44 18.351 9.136 3.391 1.00 45.41 H new ATOM 0 HB3 ALA A 44 16.633 8.834 3.040 1.00 45.41 H new ATOM 764 N GLU A 52 11.936 -4.176 0.862 1.00 71.25 N ATOM 765 CA GLU A 52 11.680 -3.383 -0.335 1.00 3.32 C ATOM 766 C GLU A 52 12.904 -2.552 -0.709 1.00 4.25 C ATOM 767 O GLU A 52 13.338 -2.548 -1.861 1.00 11.22 O ATOM 768 CB GLU A 52 10.475 -2.466 -0.118 1.00 12.34 C ATOM 769 CG GLU A 52 10.549 -1.657 1.166 1.00 1.34 C ATOM 770 CD GLU A 52 9.248 -0.946 1.484 1.00 11.31 C ATOM 771 OE1 GLU A 52 8.176 -1.506 1.174 1.00 14.12 O ATOM 772 OE2 GLU A 52 9.302 0.170 2.042 1.00 53.12 O ATOM 0 HA GLU A 52 11.463 -4.068 -1.154 1.00 3.32 H new ATOM 0 HB2 GLU A 52 10.392 -1.783 -0.963 1.00 12.34 H new ATOM 0 HB3 GLU A 52 9.567 -3.070 -0.105 1.00 12.34 H new ATOM 0 HG2 GLU A 52 10.809 -2.318 1.993 1.00 1.34 H new ATOM 0 HG3 GLU A 52 11.349 -0.922 1.082 1.00 1.34 H new ATOM 779 N VAL A 53 13.457 -1.848 0.274 1.00 22.15 N ATOM 780 CA VAL A 53 14.632 -1.013 0.050 1.00 35.44 C ATOM 781 C VAL A 53 15.785 -1.830 -0.522 1.00 10.24 C ATOM 782 O VAL A 53 16.601 -1.317 -1.286 1.00 64.01 O ATOM 783 CB VAL A 53 15.094 -0.334 1.353 1.00 21.21 C ATOM 784 CG1 VAL A 53 16.364 0.469 1.115 1.00 20.41 C ATOM 785 CG2 VAL A 53 13.991 0.551 1.913 1.00 51.13 C ATOM 0 H VAL A 53 13.110 -1.839 1.233 1.00 22.15 H new ATOM 0 HA VAL A 53 14.344 -0.245 -0.668 1.00 35.44 H new ATOM 0 HB VAL A 53 15.314 -1.109 2.088 1.00 21.21 H new ATOM 0 HG11 VAL A 53 16.676 0.942 2.046 1.00 20.41 H new ATOM 0 HG12 VAL A 53 17.154 -0.195 0.763 1.00 20.41 H new ATOM 0 HG13 VAL A 53 16.174 1.236 0.365 1.00 20.41 H new ATOM 0 HG21 VAL A 53 14.335 1.023 2.834 1.00 51.13 H new ATOM 0 HG22 VAL A 53 13.737 1.321 1.184 1.00 51.13 H new ATOM 0 HG23 VAL A 53 13.110 -0.055 2.123 1.00 51.13 H new ATOM 795 N GLU A 54 15.845 -3.104 -0.146 1.00 11.42 N ATOM 796 CA GLU A 54 16.899 -3.991 -0.622 1.00 24.02 C ATOM 797 C GLU A 54 16.782 -4.217 -2.126 1.00 62.24 C ATOM 798 O GLU A 54 17.782 -4.424 -2.813 1.00 40.45 O ATOM 799 CB GLU A 54 16.839 -5.332 0.113 1.00 55.22 C ATOM 800 CG GLU A 54 16.216 -6.448 -0.709 1.00 25.42 C ATOM 801 CD GLU A 54 17.195 -7.067 -1.688 1.00 42.00 C ATOM 802 OE1 GLU A 54 18.412 -7.041 -1.408 1.00 52.54 O ATOM 803 OE2 GLU A 54 16.743 -7.578 -2.734 1.00 65.03 O ATOM 0 H GLU A 54 15.176 -3.544 0.486 1.00 11.42 H new ATOM 0 HA GLU A 54 17.858 -3.516 -0.417 1.00 24.02 H new ATOM 0 HB2 GLU A 54 17.849 -5.624 0.401 1.00 55.22 H new ATOM 0 HB3 GLU A 54 16.268 -5.207 1.033 1.00 55.22 H new ATOM 0 HG2 GLU A 54 15.840 -7.221 -0.039 1.00 25.42 H new ATOM 0 HG3 GLU A 54 15.359 -6.056 -1.257 1.00 25.42 H new ATOM 810 N ALA A 55 15.553 -4.177 -2.631 1.00 23.12 N ATOM 811 CA ALA A 55 15.304 -4.376 -4.053 1.00 65.02 C ATOM 812 C ALA A 55 15.782 -3.178 -4.867 1.00 23.11 C ATOM 813 O ALA A 55 16.573 -3.324 -5.800 1.00 74.03 O ATOM 814 CB ALA A 55 13.824 -4.628 -4.300 1.00 3.40 C ATOM 0 H ALA A 55 14.714 -4.008 -2.076 1.00 23.12 H new ATOM 0 HA ALA A 55 15.869 -5.250 -4.376 1.00 65.02 H new ATOM 0 HB1 ALA A 55 13.653 -4.775 -5.366 1.00 3.40 H new ATOM 0 HB2 ALA A 55 13.511 -5.519 -3.756 1.00 3.40 H new ATOM 0 HB3 ALA A 55 13.246 -3.771 -3.955 1.00 3.40 H new ATOM 820 N LEU A 56 15.298 -1.994 -4.508 1.00 61.32 N ATOM 821 CA LEU A 56 15.675 -0.770 -5.206 1.00 5.01 C ATOM 822 C LEU A 56 17.178 -0.526 -5.104 1.00 72.44 C ATOM 823 O LEU A 56 17.808 -0.070 -6.058 1.00 44.01 O ATOM 824 CB LEU A 56 14.913 0.425 -4.629 1.00 65.43 C ATOM 825 CG LEU A 56 13.509 0.657 -5.187 1.00 40.53 C ATOM 826 CD1 LEU A 56 12.684 -0.617 -5.105 1.00 72.30 C ATOM 827 CD2 LEU A 56 12.820 1.790 -4.441 1.00 13.32 C ATOM 0 H LEU A 56 14.644 -1.856 -3.738 1.00 61.32 H new ATOM 0 HA LEU A 56 15.414 -0.886 -6.258 1.00 5.01 H new ATOM 0 HB2 LEU A 56 14.837 0.295 -3.549 1.00 65.43 H new ATOM 0 HB3 LEU A 56 15.504 1.325 -4.801 1.00 65.43 H new ATOM 0 HG LEU A 56 13.598 0.940 -6.236 1.00 40.53 H new ATOM 0 HD11 LEU A 56 11.688 -0.432 -5.507 1.00 72.30 H new ATOM 0 HD12 LEU A 56 13.169 -1.402 -5.685 1.00 72.30 H new ATOM 0 HD13 LEU A 56 12.603 -0.932 -4.065 1.00 72.30 H new ATOM 0 HD21 LEU A 56 11.822 1.942 -4.851 1.00 13.32 H new ATOM 0 HD22 LEU A 56 12.743 1.536 -3.384 1.00 13.32 H new ATOM 0 HD23 LEU A 56 13.401 2.705 -4.553 1.00 13.32 H new ATOM 839 N ARG A 57 17.745 -0.836 -3.943 1.00 40.10 N ATOM 840 CA ARG A 57 19.174 -0.652 -3.717 1.00 55.54 C ATOM 841 C ARG A 57 19.989 -1.598 -4.594 1.00 10.31 C ATOM 842 O ARG A 57 20.992 -1.202 -5.188 1.00 51.22 O ATOM 843 CB ARG A 57 19.513 -0.884 -2.244 1.00 30.30 C ATOM 844 CG ARG A 57 20.937 -0.497 -1.878 1.00 74.14 C ATOM 845 CD ARG A 57 21.020 0.951 -1.422 1.00 23.01 C ATOM 846 NE ARG A 57 21.589 1.070 -0.082 1.00 44.52 N ATOM 847 CZ ARG A 57 22.151 2.181 0.381 1.00 10.53 C ATOM 848 NH1 ARG A 57 22.218 3.263 -0.383 1.00 31.02 N ATOM 849 NH2 ARG A 57 22.647 2.212 1.612 1.00 54.32 N ATOM 0 H ARG A 57 17.237 -1.216 -3.144 1.00 40.10 H new ATOM 0 HA ARG A 57 19.430 0.373 -3.984 1.00 55.54 H new ATOM 0 HB2 ARG A 57 18.820 -0.313 -1.626 1.00 30.30 H new ATOM 0 HB3 ARG A 57 19.359 -1.936 -2.006 1.00 30.30 H new ATOM 0 HG2 ARG A 57 21.301 -1.151 -1.085 1.00 74.14 H new ATOM 0 HG3 ARG A 57 21.589 -0.647 -2.739 1.00 74.14 H new ATOM 0 HD2 ARG A 57 21.628 1.519 -2.126 1.00 23.01 H new ATOM 0 HD3 ARG A 57 20.024 1.393 -1.433 1.00 23.01 H new ATOM 0 HE ARG A 57 21.553 0.256 0.531 1.00 44.52 H new ATOM 0 HH11 ARG A 57 21.837 3.244 -1.329 1.00 31.02 H new ATOM 0 HH12 ARG A 57 22.650 4.115 -0.024 1.00 31.02 H new ATOM 0 HH21 ARG A 57 22.597 1.382 2.203 1.00 54.32 H new ATOM 0 HH22 ARG A 57 23.078 3.066 1.967 1.00 54.32 H new ATOM 863 N LYS A 58 19.552 -2.850 -4.669 1.00 60.22 N ATOM 864 CA LYS A 58 20.240 -3.854 -5.473 1.00 55.20 C ATOM 865 C LYS A 58 20.248 -3.459 -6.946 1.00 51.33 C ATOM 866 O LYS A 58 21.307 -3.350 -7.562 1.00 45.33 O ATOM 867 CB LYS A 58 19.569 -5.219 -5.304 1.00 61.10 C ATOM 868 CG LYS A 58 20.329 -6.356 -5.965 1.00 3.01 C ATOM 869 CD LYS A 58 20.585 -7.495 -4.993 1.00 34.53 C ATOM 870 CE LYS A 58 21.525 -7.074 -3.874 1.00 51.31 C ATOM 871 NZ LYS A 58 22.199 -8.243 -3.246 1.00 30.35 N ATOM 0 H LYS A 58 18.724 -3.194 -4.183 1.00 60.22 H new ATOM 0 HA LYS A 58 21.271 -3.917 -5.126 1.00 55.20 H new ATOM 0 HB2 LYS A 58 19.463 -5.433 -4.241 1.00 61.10 H new ATOM 0 HB3 LYS A 58 18.563 -5.174 -5.722 1.00 61.10 H new ATOM 0 HG2 LYS A 58 19.762 -6.726 -6.819 1.00 3.01 H new ATOM 0 HG3 LYS A 58 21.279 -5.985 -6.350 1.00 3.01 H new ATOM 0 HD2 LYS A 58 19.639 -7.831 -4.568 1.00 34.53 H new ATOM 0 HD3 LYS A 58 21.012 -8.343 -5.529 1.00 34.53 H new ATOM 0 HE2 LYS A 58 22.277 -6.391 -4.269 1.00 51.31 H new ATOM 0 HE3 LYS A 58 20.965 -6.527 -3.116 1.00 51.31 H new ATOM 0 HZ1 LYS A 58 22.831 -7.914 -2.488 1.00 30.35 H new ATOM 0 HZ2 LYS A 58 21.483 -8.883 -2.846 1.00 30.35 H new ATOM 0 HZ3 LYS A 58 22.755 -8.750 -3.964 1.00 30.35 H new ATOM 885 N GLU A 59 19.060 -3.244 -7.504 1.00 22.33 N ATOM 886 CA GLU A 59 18.933 -2.860 -8.905 1.00 32.44 C ATOM 887 C GLU A 59 19.749 -1.606 -9.201 1.00 51.44 C ATOM 888 O GLU A 59 20.545 -1.578 -10.139 1.00 43.21 O ATOM 889 CB GLU A 59 17.464 -2.622 -9.260 1.00 34.34 C ATOM 890 CG GLU A 59 16.603 -3.870 -9.158 1.00 32.31 C ATOM 891 CD GLU A 59 15.138 -3.593 -9.433 1.00 52.52 C ATOM 892 OE1 GLU A 59 14.452 -3.070 -8.530 1.00 23.24 O ATOM 893 OE2 GLU A 59 14.677 -3.898 -10.553 1.00 41.33 O ATOM 0 H GLU A 59 18.173 -3.329 -7.008 1.00 22.33 H new ATOM 0 HA GLU A 59 19.319 -3.676 -9.516 1.00 32.44 H new ATOM 0 HB2 GLU A 59 17.059 -1.856 -8.599 1.00 34.34 H new ATOM 0 HB3 GLU A 59 17.403 -2.231 -10.276 1.00 34.34 H new ATOM 0 HG2 GLU A 59 16.967 -4.616 -9.865 1.00 32.31 H new ATOM 0 HG3 GLU A 59 16.707 -4.298 -8.161 1.00 32.31 H new ATOM 900 N ALA A 60 19.544 -0.569 -8.395 1.00 74.14 N ATOM 901 CA ALA A 60 20.261 0.688 -8.570 1.00 15.02 C ATOM 902 C ALA A 60 21.765 0.455 -8.653 1.00 22.04 C ATOM 903 O ALA A 60 22.425 0.920 -9.582 1.00 13.14 O ATOM 904 CB ALA A 60 19.934 1.644 -7.432 1.00 23.11 C ATOM 0 H ALA A 60 18.887 -0.575 -7.615 1.00 74.14 H new ATOM 0 HA ALA A 60 19.937 1.135 -9.510 1.00 15.02 H new ATOM 0 HB1 ALA A 60 20.476 2.579 -7.575 1.00 23.11 H new ATOM 0 HB2 ALA A 60 18.863 1.844 -7.421 1.00 23.11 H new ATOM 0 HB3 ALA A 60 20.229 1.195 -6.484 1.00 23.11 H new ATOM 910 N ALA A 61 22.302 -0.267 -7.675 1.00 21.52 N ATOM 911 CA ALA A 61 23.729 -0.563 -7.638 1.00 50.03 C ATOM 912 C ALA A 61 24.187 -1.220 -8.936 1.00 32.10 C ATOM 913 O ALA A 61 25.218 -0.853 -9.499 1.00 11.14 O ATOM 914 CB ALA A 61 24.053 -1.456 -6.450 1.00 11.45 C ATOM 0 H ALA A 61 21.770 -0.658 -6.897 1.00 21.52 H new ATOM 0 HA ALA A 61 24.267 0.379 -7.528 1.00 50.03 H new ATOM 0 HB1 ALA A 61 25.122 -1.669 -6.435 1.00 11.45 H new ATOM 0 HB2 ALA A 61 23.771 -0.950 -5.527 1.00 11.45 H new ATOM 0 HB3 ALA A 61 23.498 -2.390 -6.535 1.00 11.45 H new ATOM 920 N ALA A 62 23.414 -2.194 -9.405 1.00 70.14 N ATOM 921 CA ALA A 62 23.740 -2.901 -10.637 1.00 60.45 C ATOM 922 C ALA A 62 23.842 -1.936 -11.814 1.00 32.51 C ATOM 923 O ALA A 62 24.787 -1.999 -12.600 1.00 63.53 O ATOM 924 CB ALA A 62 22.699 -3.975 -10.921 1.00 45.41 C ATOM 0 H ALA A 62 22.558 -2.511 -8.950 1.00 70.14 H new ATOM 0 HA ALA A 62 24.712 -3.378 -10.507 1.00 60.45 H new ATOM 0 HB1 ALA A 62 22.955 -4.495 -11.844 1.00 45.41 H new ATOM 0 HB2 ALA A 62 22.678 -4.688 -10.097 1.00 45.41 H new ATOM 0 HB3 ALA A 62 21.718 -3.512 -11.026 1.00 45.41 H new ATOM 930 N ILE A 63 22.863 -1.046 -11.929 1.00 13.53 N ATOM 931 CA ILE A 63 22.843 -0.068 -13.009 1.00 43.44 C ATOM 932 C ILE A 63 24.081 0.823 -12.967 1.00 75.23 C ATOM 933 O ILE A 63 24.701 1.089 -13.996 1.00 43.35 O ATOM 934 CB ILE A 63 21.585 0.818 -12.945 1.00 31.13 C ATOM 935 CG1 ILE A 63 20.323 -0.045 -13.012 1.00 23.23 C ATOM 936 CG2 ILE A 63 21.596 1.838 -14.074 1.00 22.42 C ATOM 937 CD1 ILE A 63 19.240 0.392 -12.050 1.00 64.31 C ATOM 0 H ILE A 63 22.073 -0.982 -11.287 1.00 13.53 H new ATOM 0 HA ILE A 63 22.834 -0.630 -13.943 1.00 43.44 H new ATOM 0 HB ILE A 63 21.586 1.355 -11.997 1.00 31.13 H new ATOM 0 HG12 ILE A 63 19.928 -0.018 -14.028 1.00 23.23 H new ATOM 0 HG13 ILE A 63 20.589 -1.081 -12.801 1.00 23.23 H new ATOM 0 HG21 ILE A 63 20.700 2.456 -14.015 1.00 22.42 H new ATOM 0 HG22 ILE A 63 22.480 2.470 -13.985 1.00 22.42 H new ATOM 0 HG23 ILE A 63 21.616 1.320 -15.033 1.00 22.42 H new ATOM 0 HD11 ILE A 63 18.376 -0.264 -12.152 1.00 64.31 H new ATOM 0 HD12 ILE A 63 19.617 0.338 -11.029 1.00 64.31 H new ATOM 0 HD13 ILE A 63 18.946 1.417 -12.275 1.00 64.31 H new ATOM 949 N ARG A 64 24.434 1.279 -11.770 1.00 63.31 N ATOM 950 CA ARG A 64 25.598 2.139 -11.593 1.00 61.24 C ATOM 951 C ARG A 64 26.867 1.444 -12.079 1.00 74.34 C ATOM 952 O ARG A 64 27.666 2.029 -12.810 1.00 41.11 O ATOM 953 CB ARG A 64 25.750 2.531 -10.123 1.00 3.14 C ATOM 954 CG ARG A 64 27.065 3.227 -9.811 1.00 1.11 C ATOM 955 CD ARG A 64 27.182 4.553 -10.546 1.00 54.03 C ATOM 956 NE ARG A 64 27.293 5.681 -9.626 1.00 0.50 N ATOM 957 CZ ARG A 64 28.351 5.897 -8.853 1.00 3.43 C ATOM 958 NH1 ARG A 64 29.384 5.066 -8.889 1.00 52.42 N ATOM 959 NH2 ARG A 64 28.378 6.947 -8.041 1.00 64.20 N ATOM 0 H ARG A 64 23.931 1.067 -10.908 1.00 63.31 H new ATOM 0 HA ARG A 64 25.447 3.039 -12.188 1.00 61.24 H new ATOM 0 HB2 ARG A 64 24.926 3.188 -9.844 1.00 3.14 H new ATOM 0 HB3 ARG A 64 25.667 1.636 -9.507 1.00 3.14 H new ATOM 0 HG2 ARG A 64 27.142 3.397 -8.737 1.00 1.11 H new ATOM 0 HG3 ARG A 64 27.896 2.580 -10.092 1.00 1.11 H new ATOM 0 HD2 ARG A 64 28.055 4.530 -11.198 1.00 54.03 H new ATOM 0 HD3 ARG A 64 26.310 4.691 -11.185 1.00 54.03 H new ATOM 0 HE ARG A 64 26.515 6.339 -9.574 1.00 0.50 H new ATOM 0 HH11 ARG A 64 29.367 4.258 -9.512 1.00 52.42 H new ATOM 0 HH12 ARG A 64 30.195 5.235 -8.294 1.00 52.42 H new ATOM 0 HH21 ARG A 64 27.586 7.589 -8.010 1.00 64.20 H new ATOM 0 HH22 ARG A 64 29.191 7.112 -7.448 1.00 64.20 H new ATOM 973 N ASP A 65 27.044 0.193 -11.668 1.00 40.04 N ATOM 974 CA ASP A 65 28.215 -0.582 -12.062 1.00 33.40 C ATOM 975 C ASP A 65 28.299 -0.707 -13.580 1.00 52.21 C ATOM 976 O ASP A 65 29.368 -0.545 -14.167 1.00 2.02 O ATOM 977 CB ASP A 65 28.170 -1.972 -11.426 1.00 32.44 C ATOM 978 CG ASP A 65 28.445 -1.936 -9.935 1.00 61.12 C ATOM 979 OD1 ASP A 65 28.517 -0.824 -9.372 1.00 1.42 O ATOM 980 OD2 ASP A 65 28.588 -3.020 -9.332 1.00 53.01 O ATOM 0 H ASP A 65 26.392 -0.306 -11.063 1.00 40.04 H new ATOM 0 HA ASP A 65 29.103 -0.057 -11.709 1.00 33.40 H new ATOM 0 HB2 ASP A 65 27.190 -2.417 -11.601 1.00 32.44 H new ATOM 0 HB3 ASP A 65 28.904 -2.615 -11.912 1.00 32.44 H new ATOM 985 N GLU A 66 27.164 -0.996 -14.209 1.00 31.21 N ATOM 986 CA GLU A 66 27.111 -1.144 -15.659 1.00 31.14 C ATOM 987 C GLU A 66 27.540 0.145 -16.353 1.00 55.31 C ATOM 988 O GLU A 66 28.355 0.124 -17.276 1.00 2.23 O ATOM 989 CB GLU A 66 25.698 -1.530 -16.103 1.00 25.32 C ATOM 990 CG GLU A 66 25.164 -2.777 -15.417 1.00 42.41 C ATOM 991 CD GLU A 66 23.682 -2.685 -15.113 1.00 14.22 C ATOM 992 OE1 GLU A 66 22.976 -1.934 -15.818 1.00 11.21 O ATOM 993 OE2 GLU A 66 23.227 -3.365 -14.169 1.00 1.11 O ATOM 0 H GLU A 66 26.270 -1.132 -13.738 1.00 31.21 H new ATOM 0 HA GLU A 66 27.803 -1.937 -15.944 1.00 31.14 H new ATOM 0 HB2 GLU A 66 25.023 -0.698 -15.902 1.00 25.32 H new ATOM 0 HB3 GLU A 66 25.696 -1.689 -17.181 1.00 25.32 H new ATOM 0 HG2 GLU A 66 25.348 -3.644 -16.052 1.00 42.41 H new ATOM 0 HG3 GLU A 66 25.712 -2.940 -14.489 1.00 42.41 H new ATOM 1000 N CYS A 67 26.984 1.265 -15.904 1.00 31.02 N ATOM 1001 CA CYS A 67 27.307 2.564 -16.482 1.00 51.43 C ATOM 1002 C CYS A 67 28.805 2.839 -16.399 1.00 12.50 C ATOM 1003 O CYS A 67 29.408 3.333 -17.351 1.00 42.12 O ATOM 1004 CB CYS A 67 26.532 3.672 -15.766 1.00 61.41 C ATOM 1005 SG CYS A 67 24.747 3.627 -16.051 1.00 62.33 S ATOM 0 H CYS A 67 26.307 1.299 -15.141 1.00 31.02 H new ATOM 0 HA CYS A 67 27.017 2.549 -17.532 1.00 51.43 H new ATOM 0 HB2 CYS A 67 26.720 3.598 -14.695 1.00 61.41 H new ATOM 0 HB3 CYS A 67 26.917 4.638 -16.091 1.00 61.41 H new ATOM 0 HG CYS A 67 24.219 2.672 -15.345 1.00 62.33 H new ATOM 1011 N GLN A 68 29.397 2.518 -15.254 1.00 3.15 N ATOM 1012 CA GLN A 68 30.824 2.733 -15.046 1.00 4.14 C ATOM 1013 C GLN A 68 31.649 1.795 -15.921 1.00 4.24 C ATOM 1014 O GLN A 68 32.757 2.133 -16.338 1.00 14.31 O ATOM 1015 CB GLN A 68 31.184 2.525 -13.574 1.00 30.55 C ATOM 1016 CG GLN A 68 30.562 3.554 -12.644 1.00 23.03 C ATOM 1017 CD GLN A 68 31.074 3.440 -11.221 1.00 60.12 C ATOM 1018 OE1 GLN A 68 30.962 2.388 -10.592 1.00 23.35 O ATOM 1019 NE2 GLN A 68 31.640 4.525 -10.707 1.00 11.44 N ATOM 0 H GLN A 68 28.911 2.108 -14.456 1.00 3.15 H new ATOM 0 HA GLN A 68 31.055 3.760 -15.327 1.00 4.14 H new ATOM 0 HB2 GLN A 68 30.863 1.529 -13.267 1.00 30.55 H new ATOM 0 HB3 GLN A 68 32.268 2.558 -13.466 1.00 30.55 H new ATOM 0 HG2 GLN A 68 30.772 4.554 -13.023 1.00 23.03 H new ATOM 0 HG3 GLN A 68 29.479 3.433 -12.647 1.00 23.03 H new ATOM 0 HE21 GLN A 68 31.712 5.376 -11.265 1.00 11.44 H new ATOM 0 HE22 GLN A 68 32.003 4.508 -9.754 1.00 11.44 H new ATOM 1028 N ALA A 69 31.103 0.615 -16.194 1.00 55.22 N ATOM 1029 CA ALA A 69 31.787 -0.371 -17.021 1.00 3.11 C ATOM 1030 C ALA A 69 31.625 -0.052 -18.503 1.00 72.53 C ATOM 1031 O ALA A 69 32.231 -0.700 -19.357 1.00 41.23 O ATOM 1032 CB ALA A 69 31.264 -1.767 -16.719 1.00 24.43 C ATOM 0 H ALA A 69 30.188 0.318 -15.854 1.00 55.22 H new ATOM 0 HA ALA A 69 32.850 -0.334 -16.783 1.00 3.11 H new ATOM 0 HB1 ALA A 69 31.784 -2.493 -17.344 1.00 24.43 H new ATOM 0 HB2 ALA A 69 31.438 -2.001 -15.669 1.00 24.43 H new ATOM 0 HB3 ALA A 69 30.195 -1.808 -16.928 1.00 24.43 H new ATOM 1038 N TYR A 70 30.803 0.947 -18.802 1.00 40.41 N ATOM 1039 CA TYR A 70 30.559 1.349 -20.182 1.00 55.41 C ATOM 1040 C TYR A 70 31.368 2.593 -20.539 1.00 33.31 C ATOM 1041 O TYR A 70 31.871 2.720 -21.655 1.00 50.12 O ATOM 1042 CB TYR A 70 29.068 1.617 -20.401 1.00 65.12 C ATOM 1043 CG TYR A 70 28.195 0.406 -20.163 1.00 15.33 C ATOM 1044 CD1 TYR A 70 28.666 -0.876 -20.414 1.00 22.10 C ATOM 1045 CD2 TYR A 70 26.897 0.545 -19.685 1.00 41.20 C ATOM 1046 CE1 TYR A 70 27.871 -1.985 -20.198 1.00 52.22 C ATOM 1047 CE2 TYR A 70 26.095 -0.558 -19.465 1.00 0.11 C ATOM 1048 CZ TYR A 70 26.586 -1.821 -19.723 1.00 42.45 C ATOM 1049 OH TYR A 70 25.791 -2.923 -19.506 1.00 2.41 O ATOM 0 H TYR A 70 30.294 1.494 -18.107 1.00 40.41 H new ATOM 0 HA TYR A 70 30.875 0.533 -20.832 1.00 55.41 H new ATOM 0 HB2 TYR A 70 28.750 2.420 -19.736 1.00 65.12 H new ATOM 0 HB3 TYR A 70 28.917 1.969 -21.421 1.00 65.12 H new ATOM 0 HD1 TYR A 70 29.672 -1.008 -20.785 1.00 22.10 H new ATOM 0 HD2 TYR A 70 26.509 1.532 -19.482 1.00 41.20 H new ATOM 0 HE1 TYR A 70 28.253 -2.975 -20.400 1.00 52.22 H new ATOM 0 HE2 TYR A 70 25.089 -0.432 -19.093 1.00 0.11 H new ATOM 0 HH TYR A 70 24.917 -2.635 -19.170 1.00 2.41 H new ATOM 1059 N ARG A 71 31.489 3.507 -19.582 1.00 34.33 N ATOM 1060 CA ARG A 71 32.236 4.741 -19.794 1.00 33.44 C ATOM 1061 C ARG A 71 33.132 5.045 -18.597 1.00 43.51 C ATOM 1062 O ARG A 71 33.210 6.187 -18.141 1.00 34.43 O ATOM 1063 CB ARG A 71 31.277 5.907 -20.036 1.00 55.41 C ATOM 1064 CG ARG A 71 31.808 6.938 -21.018 1.00 52.44 C ATOM 1065 CD ARG A 71 30.856 8.117 -21.158 1.00 65.54 C ATOM 1066 NE ARG A 71 31.551 9.397 -21.051 1.00 61.31 N ATOM 1067 CZ ARG A 71 30.937 10.547 -20.799 1.00 51.21 C ATOM 1068 NH1 ARG A 71 29.622 10.577 -20.629 1.00 4.40 N ATOM 1069 NH2 ARG A 71 31.638 11.671 -20.716 1.00 60.24 N ATOM 0 H ARG A 71 31.079 3.416 -18.652 1.00 34.33 H new ATOM 0 HA ARG A 71 32.866 4.609 -20.674 1.00 33.44 H new ATOM 0 HB2 ARG A 71 30.330 5.516 -20.409 1.00 55.41 H new ATOM 0 HB3 ARG A 71 31.067 6.397 -19.085 1.00 55.41 H new ATOM 0 HG2 ARG A 71 32.782 7.294 -20.683 1.00 52.44 H new ATOM 0 HG3 ARG A 71 31.957 6.472 -21.992 1.00 52.44 H new ATOM 0 HD2 ARG A 71 30.347 8.060 -22.120 1.00 65.54 H new ATOM 0 HD3 ARG A 71 30.088 8.056 -20.387 1.00 65.54 H new ATOM 0 HE ARG A 71 32.563 9.408 -21.177 1.00 61.31 H new ATOM 0 HH11 ARG A 71 29.080 9.715 -20.692 1.00 4.40 H new ATOM 0 HH12 ARG A 71 29.153 11.462 -20.435 1.00 4.40 H new ATOM 0 HH21 ARG A 71 32.650 11.652 -20.846 1.00 60.24 H new ATOM 0 HH22 ARG A 71 31.165 12.554 -20.522 1.00 60.24 H new