USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 107:sc= 0.642 USER MOD Set 1.2: A 67 CYS SG : rot 75:sc= 1.32 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= -1.34 (180deg=-3.67!) 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= -0.0899 X(o=-0.09,f=-0.051) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 24 SER OG : rot 63:sc= 0.0801 USER MOD Single : A 28 CYS SG : rot 50:sc= 0.962 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.299 K(o=-0.3,f=-3.3!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.55) USER MOD Single : A 70 TYR OH : rot 72:sc= 0.285 USER MOD Single : A 72 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.52) USER MOD Single : A 73 ASN : amide:sc= -0.0883 X(o=-0.088,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.210 -0.444 -5.526 1.00 32.32 N ATOM 2 CA MET A 1 2.113 0.192 -4.806 1.00 1.44 C ATOM 3 C MET A 1 2.620 1.360 -3.965 1.00 41.12 C ATOM 4 O MET A 1 3.709 1.301 -3.396 1.00 31.24 O ATOM 5 CB MET A 1 1.404 -0.825 -3.910 1.00 74.45 C ATOM 6 CG MET A 1 -0.078 -0.975 -4.216 1.00 42.02 C ATOM 7 SD MET A 1 -1.119 -0.667 -2.776 1.00 63.24 S ATOM 8 CE MET A 1 -2.540 -1.686 -3.162 1.00 54.05 C ATOM 0 H1 MET A 1 2.930 -0.603 -6.515 1.00 32.32 H new ATOM 0 H2 MET A 1 4.047 0.172 -5.498 1.00 32.32 H new ATOM 0 H3 MET A 1 3.436 -1.355 -5.079 1.00 32.32 H new ATOM 0 HA MET A 1 1.404 0.575 -5.540 1.00 1.44 H new ATOM 0 HB2 MET A 1 1.889 -1.795 -4.020 1.00 74.45 H new ATOM 0 HB3 MET A 1 1.523 -0.525 -2.869 1.00 74.45 H new ATOM 0 HG2 MET A 1 -0.352 -0.283 -5.013 1.00 42.02 H new ATOM 0 HG3 MET A 1 -0.268 -1.982 -4.588 1.00 42.02 H new ATOM 0 HE1 MET A 1 -3.276 -1.602 -2.362 1.00 54.05 H new ATOM 0 HE2 MET A 1 -2.983 -1.352 -4.100 1.00 54.05 H new ATOM 0 HE3 MET A 1 -2.227 -2.726 -3.259 1.00 54.05 H new ATOM 18 N GLY A 2 1.823 2.422 -3.893 1.00 33.34 N ATOM 19 CA GLY A 2 2.209 3.588 -3.120 1.00 34.10 C ATOM 20 C GLY A 2 3.442 4.270 -3.677 1.00 41.32 C ATOM 21 O GLY A 2 3.625 4.342 -4.892 1.00 72.44 O ATOM 0 H GLY A 2 0.917 2.496 -4.356 1.00 33.34 H new ATOM 0 HA2 GLY A 2 1.382 4.298 -3.101 1.00 34.10 H new ATOM 0 HA3 GLY A 2 2.397 3.290 -2.088 1.00 34.10 H new ATOM 25 N SER A 3 4.290 4.775 -2.787 1.00 3.10 N ATOM 26 CA SER A 3 5.510 5.461 -3.197 1.00 24.52 C ATOM 27 C SER A 3 6.470 4.495 -3.886 1.00 43.50 C ATOM 28 O SER A 3 7.241 4.889 -4.761 1.00 44.21 O ATOM 29 CB SER A 3 6.193 6.099 -1.986 1.00 23.02 C ATOM 30 OG SER A 3 5.585 7.334 -1.650 1.00 30.14 O ATOM 0 H SER A 3 4.155 4.722 -1.777 1.00 3.10 H new ATOM 0 HA SER A 3 5.238 6.243 -3.905 1.00 24.52 H new ATOM 0 HB2 SER A 3 6.140 5.420 -1.135 1.00 23.02 H new ATOM 0 HB3 SER A 3 7.250 6.257 -2.202 1.00 23.02 H new ATOM 0 HG SER A 3 6.038 7.721 -0.872 1.00 30.14 H new ATOM 36 N TRP A 4 6.417 3.231 -3.485 1.00 34.32 N ATOM 37 CA TRP A 4 7.281 2.208 -4.063 1.00 41.21 C ATOM 38 C TRP A 4 7.056 2.092 -5.567 1.00 4.33 C ATOM 39 O TRP A 4 8.009 2.008 -6.341 1.00 41.21 O ATOM 40 CB TRP A 4 7.028 0.858 -3.391 1.00 71.55 C ATOM 41 CG TRP A 4 7.694 -0.288 -4.092 1.00 20.14 C ATOM 42 CD1 TRP A 4 7.233 -0.958 -5.189 1.00 10.12 C ATOM 43 CD2 TRP A 4 8.940 -0.899 -3.741 1.00 24.05 C ATOM 44 NE1 TRP A 4 8.118 -1.948 -5.541 1.00 73.41 N ATOM 45 CE2 TRP A 4 9.174 -1.932 -4.669 1.00 32.51 C ATOM 46 CE3 TRP A 4 9.883 -0.672 -2.734 1.00 32.40 C ATOM 47 CZ2 TRP A 4 10.310 -2.736 -4.618 1.00 35.35 C ATOM 48 CZ3 TRP A 4 11.009 -1.471 -2.684 1.00 63.32 C ATOM 49 CH2 TRP A 4 11.216 -2.492 -3.621 1.00 75.34 C ATOM 0 H TRP A 4 5.785 2.889 -2.761 1.00 34.32 H new ATOM 0 HA TRP A 4 8.316 2.502 -3.891 1.00 41.21 H new ATOM 0 HB2 TRP A 4 7.383 0.901 -2.361 1.00 71.55 H new ATOM 0 HB3 TRP A 4 5.954 0.676 -3.351 1.00 71.55 H new ATOM 0 HD1 TRP A 4 6.309 -0.741 -5.704 1.00 10.12 H new ATOM 0 HE1 TRP A 4 8.007 -2.591 -6.325 1.00 73.41 H new ATOM 0 HE3 TRP A 4 9.734 0.114 -2.008 1.00 32.40 H new ATOM 0 HZ2 TRP A 4 10.471 -3.524 -5.339 1.00 35.35 H new ATOM 0 HZ3 TRP A 4 11.743 -1.306 -1.909 1.00 63.32 H new ATOM 0 HH2 TRP A 4 12.107 -3.098 -3.555 1.00 75.34 H new ATOM 60 N ALA A 5 5.791 2.089 -5.973 1.00 61.41 N ATOM 61 CA ALA A 5 5.442 1.985 -7.385 1.00 4.24 C ATOM 62 C ALA A 5 6.198 3.018 -8.214 1.00 24.31 C ATOM 63 O ALA A 5 6.817 2.683 -9.224 1.00 15.21 O ATOM 64 CB ALA A 5 3.942 2.152 -7.571 1.00 54.11 C ATOM 0 H ALA A 5 4.991 2.157 -5.345 1.00 61.41 H new ATOM 0 HA ALA A 5 5.732 0.994 -7.734 1.00 4.24 H new ATOM 0 HB1 ALA A 5 3.696 2.072 -8.630 1.00 54.11 H new ATOM 0 HB2 ALA A 5 3.418 1.374 -7.017 1.00 54.11 H new ATOM 0 HB3 ALA A 5 3.636 3.130 -7.200 1.00 54.11 H new ATOM 70 N GLU A 6 6.144 4.273 -7.780 1.00 53.34 N ATOM 71 CA GLU A 6 6.823 5.354 -8.485 1.00 52.31 C ATOM 72 C GLU A 6 8.312 5.057 -8.631 1.00 45.12 C ATOM 73 O GLU A 6 8.872 5.156 -9.723 1.00 64.23 O ATOM 74 CB GLU A 6 6.626 6.679 -7.744 1.00 60.44 C ATOM 75 CG GLU A 6 6.462 7.874 -8.668 1.00 33.11 C ATOM 76 CD GLU A 6 5.613 8.972 -8.056 1.00 61.40 C ATOM 77 OE1 GLU A 6 4.476 8.677 -7.633 1.00 52.12 O ATOM 78 OE2 GLU A 6 6.087 10.126 -8.000 1.00 24.40 O ATOM 0 H GLU A 6 5.638 4.566 -6.944 1.00 53.34 H new ATOM 0 HA GLU A 6 6.387 5.434 -9.481 1.00 52.31 H new ATOM 0 HB2 GLU A 6 5.746 6.601 -7.105 1.00 60.44 H new ATOM 0 HB3 GLU A 6 7.481 6.851 -7.090 1.00 60.44 H new ATOM 0 HG2 GLU A 6 7.445 8.275 -8.915 1.00 33.11 H new ATOM 0 HG3 GLU A 6 6.007 7.546 -9.603 1.00 33.11 H new ATOM 85 N PHE A 7 8.949 4.693 -7.523 1.00 13.33 N ATOM 86 CA PHE A 7 10.374 4.383 -7.526 1.00 14.12 C ATOM 87 C PHE A 7 10.681 3.248 -8.498 1.00 31.43 C ATOM 88 O PHE A 7 11.661 3.299 -9.240 1.00 65.54 O ATOM 89 CB PHE A 7 10.838 4.004 -6.118 1.00 13.11 C ATOM 90 CG PHE A 7 11.463 5.144 -5.366 1.00 30.02 C ATOM 91 CD1 PHE A 7 10.683 6.002 -4.608 1.00 34.04 C ATOM 92 CD2 PHE A 7 12.831 5.357 -5.416 1.00 41.23 C ATOM 93 CE1 PHE A 7 11.255 7.052 -3.915 1.00 45.03 C ATOM 94 CE2 PHE A 7 13.410 6.405 -4.726 1.00 13.43 C ATOM 95 CZ PHE A 7 12.621 7.253 -3.973 1.00 52.33 C ATOM 0 H PHE A 7 8.501 4.605 -6.611 1.00 13.33 H new ATOM 0 HA PHE A 7 10.914 5.272 -7.851 1.00 14.12 H new ATOM 0 HB2 PHE A 7 9.985 3.630 -5.552 1.00 13.11 H new ATOM 0 HB3 PHE A 7 11.557 3.188 -6.188 1.00 13.11 H new ATOM 0 HD1 PHE A 7 9.615 5.849 -4.558 1.00 34.04 H new ATOM 0 HD2 PHE A 7 13.453 4.696 -6.001 1.00 41.23 H new ATOM 0 HE1 PHE A 7 10.635 7.715 -3.329 1.00 45.03 H new ATOM 0 HE2 PHE A 7 14.478 6.561 -4.775 1.00 13.43 H new ATOM 0 HZ PHE A 7 13.071 8.071 -3.431 1.00 52.33 H new ATOM 105 N LYS A 8 9.836 2.222 -8.486 1.00 53.45 N ATOM 106 CA LYS A 8 10.014 1.073 -9.366 1.00 42.31 C ATOM 107 C LYS A 8 9.934 1.492 -10.831 1.00 33.32 C ATOM 108 O LYS A 8 10.719 1.033 -11.660 1.00 3.42 O ATOM 109 CB LYS A 8 8.955 0.009 -9.070 1.00 25.22 C ATOM 110 CG LYS A 8 9.331 -1.377 -9.565 1.00 22.11 C ATOM 111 CD LYS A 8 10.376 -2.024 -8.671 1.00 60.22 C ATOM 112 CE LYS A 8 10.089 -3.503 -8.459 1.00 0.45 C ATOM 113 NZ LYS A 8 10.583 -4.332 -9.592 1.00 61.32 N ATOM 0 H LYS A 8 9.021 2.163 -7.876 1.00 53.45 H new ATOM 0 HA LYS A 8 11.003 0.654 -9.180 1.00 42.31 H new ATOM 0 HB2 LYS A 8 8.784 -0.032 -7.994 1.00 25.22 H new ATOM 0 HB3 LYS A 8 8.013 0.307 -9.531 1.00 25.22 H new ATOM 0 HG2 LYS A 8 8.441 -2.006 -9.600 1.00 22.11 H new ATOM 0 HG3 LYS A 8 9.714 -1.309 -10.583 1.00 22.11 H new ATOM 0 HD2 LYS A 8 11.363 -1.904 -9.118 1.00 60.22 H new ATOM 0 HD3 LYS A 8 10.398 -1.515 -7.708 1.00 60.22 H new ATOM 0 HE2 LYS A 8 10.560 -3.835 -7.534 1.00 0.45 H new ATOM 0 HE3 LYS A 8 9.016 -3.651 -8.342 1.00 0.45 H new ATOM 0 HZ1 LYS A 8 10.368 -5.333 -9.409 1.00 61.32 H new ATOM 0 HZ2 LYS A 8 10.115 -4.032 -10.471 1.00 61.32 H new ATOM 0 HZ3 LYS A 8 11.611 -4.211 -9.688 1.00 61.32 H new ATOM 127 N GLN A 9 8.981 2.365 -11.141 1.00 32.24 N ATOM 128 CA GLN A 9 8.800 2.845 -12.505 1.00 74.35 C ATOM 129 C GLN A 9 10.043 3.581 -12.993 1.00 70.13 C ATOM 130 O GLN A 9 10.626 3.224 -14.018 1.00 15.35 O ATOM 131 CB GLN A 9 7.582 3.767 -12.587 1.00 33.31 C ATOM 132 CG GLN A 9 6.568 3.344 -13.638 1.00 41.42 C ATOM 133 CD GLN A 9 7.170 3.257 -15.027 1.00 33.41 C ATOM 134 OE1 GLN A 9 7.065 2.229 -15.698 1.00 15.43 O ATOM 135 NE2 GLN A 9 7.805 4.337 -15.466 1.00 62.54 N ATOM 0 H GLN A 9 8.323 2.754 -10.466 1.00 32.24 H new ATOM 0 HA GLN A 9 8.636 1.980 -13.148 1.00 74.35 H new ATOM 0 HB2 GLN A 9 7.093 3.796 -11.613 1.00 33.31 H new ATOM 0 HB3 GLN A 9 7.918 4.781 -12.806 1.00 33.31 H new ATOM 0 HG2 GLN A 9 6.151 2.375 -13.366 1.00 41.42 H new ATOM 0 HG3 GLN A 9 5.742 4.055 -13.648 1.00 41.42 H new ATOM 0 HE21 GLN A 9 7.868 5.167 -14.876 1.00 62.54 H new ATOM 0 HE22 GLN A 9 8.230 4.337 -16.393 1.00 62.54 H new ATOM 144 N ARG A 10 10.444 4.610 -12.253 1.00 72.35 N ATOM 145 CA ARG A 10 11.617 5.397 -12.612 1.00 3.12 C ATOM 146 C ARG A 10 12.836 4.499 -12.806 1.00 52.42 C ATOM 147 O ARG A 10 13.579 4.646 -13.777 1.00 65.52 O ATOM 148 CB ARG A 10 11.907 6.441 -11.532 1.00 14.04 C ATOM 149 CG ARG A 10 10.953 7.624 -11.557 1.00 35.14 C ATOM 150 CD ARG A 10 10.248 7.800 -10.220 1.00 63.04 C ATOM 151 NE ARG A 10 10.790 8.923 -9.460 1.00 51.10 N ATOM 152 CZ ARG A 10 10.646 10.193 -9.822 1.00 14.14 C ATOM 153 NH1 ARG A 10 9.980 10.500 -10.926 1.00 73.34 N ATOM 154 NH2 ARG A 10 11.167 11.160 -9.077 1.00 64.41 N ATOM 0 H ARG A 10 9.974 4.918 -11.402 1.00 72.35 H new ATOM 0 HA ARG A 10 11.408 5.906 -13.553 1.00 3.12 H new ATOM 0 HB2 ARG A 10 11.855 5.963 -10.554 1.00 14.04 H new ATOM 0 HB3 ARG A 10 12.927 6.805 -11.655 1.00 14.04 H new ATOM 0 HG2 ARG A 10 11.504 8.532 -11.801 1.00 35.14 H new ATOM 0 HG3 ARG A 10 10.213 7.479 -12.344 1.00 35.14 H new ATOM 0 HD2 ARG A 10 9.183 7.957 -10.390 1.00 63.04 H new ATOM 0 HD3 ARG A 10 10.346 6.885 -9.635 1.00 63.04 H new ATOM 0 HE ARG A 10 11.307 8.721 -8.604 1.00 51.10 H new ATOM 0 HH11 ARG A 10 9.576 9.760 -11.500 1.00 73.34 H new ATOM 0 HH12 ARG A 10 9.871 11.476 -11.201 1.00 73.34 H new ATOM 0 HH21 ARG A 10 11.679 10.928 -8.226 1.00 64.41 H new ATOM 0 HH22 ARG A 10 11.056 12.135 -9.356 1.00 64.41 H new ATOM 168 N LEU A 11 13.035 3.571 -11.877 1.00 15.43 N ATOM 169 CA LEU A 11 14.163 2.650 -11.945 1.00 22.41 C ATOM 170 C LEU A 11 14.104 1.809 -13.216 1.00 73.03 C ATOM 171 O LEU A 11 15.121 1.581 -13.870 1.00 2.41 O ATOM 172 CB LEU A 11 14.177 1.738 -10.717 1.00 21.50 C ATOM 173 CG LEU A 11 15.503 1.650 -9.961 1.00 63.30 C ATOM 174 CD1 LEU A 11 15.967 3.034 -9.534 1.00 31.31 C ATOM 175 CD2 LEU A 11 15.369 0.734 -8.753 1.00 61.12 C ATOM 0 H LEU A 11 12.429 3.437 -11.067 1.00 15.43 H new ATOM 0 HA LEU A 11 15.080 3.239 -11.963 1.00 22.41 H new ATOM 0 HB2 LEU A 11 13.409 2.083 -10.024 1.00 21.50 H new ATOM 0 HB3 LEU A 11 13.894 0.734 -11.032 1.00 21.50 H new ATOM 0 HG LEU A 11 16.253 1.228 -10.630 1.00 63.30 H new ATOM 0 HD11 LEU A 11 16.912 2.951 -8.997 1.00 31.31 H new ATOM 0 HD12 LEU A 11 16.104 3.660 -10.416 1.00 31.31 H new ATOM 0 HD13 LEU A 11 15.218 3.484 -8.882 1.00 31.31 H new ATOM 0 HD21 LEU A 11 16.322 0.683 -8.227 1.00 61.12 H new ATOM 0 HD22 LEU A 11 14.605 1.126 -8.082 1.00 61.12 H new ATOM 0 HD23 LEU A 11 15.084 -0.265 -9.084 1.00 61.12 H new ATOM 187 N ALA A 12 12.904 1.352 -13.562 1.00 5.12 N ATOM 188 CA ALA A 12 12.711 0.541 -14.757 1.00 64.41 C ATOM 189 C ALA A 12 13.114 1.307 -16.012 1.00 42.32 C ATOM 190 O ALA A 12 13.808 0.777 -16.879 1.00 75.34 O ATOM 191 CB ALA A 12 11.263 0.084 -14.857 1.00 4.10 C ATOM 0 H ALA A 12 12.052 1.530 -13.031 1.00 5.12 H new ATOM 0 HA ALA A 12 13.353 -0.337 -14.677 1.00 64.41 H new ATOM 0 HB1 ALA A 12 11.134 -0.521 -15.754 1.00 4.10 H new ATOM 0 HB2 ALA A 12 11.007 -0.510 -13.979 1.00 4.10 H new ATOM 0 HB3 ALA A 12 10.609 0.955 -14.909 1.00 4.10 H new ATOM 197 N ALA A 13 12.674 2.558 -16.102 1.00 43.25 N ATOM 198 CA ALA A 13 12.990 3.398 -17.251 1.00 43.01 C ATOM 199 C ALA A 13 14.491 3.646 -17.353 1.00 45.04 C ATOM 200 O ALA A 13 15.064 3.604 -18.443 1.00 21.23 O ATOM 201 CB ALA A 13 12.240 4.719 -17.162 1.00 21.34 C ATOM 0 H ALA A 13 12.098 3.012 -15.393 1.00 43.25 H new ATOM 0 HA ALA A 13 12.673 2.873 -18.152 1.00 43.01 H new ATOM 0 HB1 ALA A 13 12.486 5.336 -18.026 1.00 21.34 H new ATOM 0 HB2 ALA A 13 11.167 4.528 -17.146 1.00 21.34 H new ATOM 0 HB3 ALA A 13 12.529 5.241 -16.250 1.00 21.34 H new ATOM 207 N ILE A 14 15.123 3.905 -16.213 1.00 54.22 N ATOM 208 CA ILE A 14 16.557 4.160 -16.176 1.00 23.44 C ATOM 209 C ILE A 14 17.345 2.929 -16.610 1.00 65.34 C ATOM 210 O ILE A 14 18.351 3.037 -17.313 1.00 12.42 O ATOM 211 CB ILE A 14 17.018 4.579 -14.767 1.00 50.11 C ATOM 212 CG1 ILE A 14 16.359 5.900 -14.364 1.00 30.35 C ATOM 213 CG2 ILE A 14 18.534 4.701 -14.720 1.00 53.10 C ATOM 214 CD1 ILE A 14 16.077 6.006 -12.881 1.00 41.12 C ATOM 0 H ILE A 14 14.664 3.944 -15.303 1.00 54.22 H new ATOM 0 HA ILE A 14 16.750 4.977 -16.871 1.00 23.44 H new ATOM 0 HB ILE A 14 16.713 3.810 -14.057 1.00 50.11 H new ATOM 0 HG12 ILE A 14 17.005 6.725 -14.663 1.00 30.35 H new ATOM 0 HG13 ILE A 14 15.424 6.013 -14.913 1.00 30.35 H new ATOM 0 HG21 ILE A 14 18.844 4.998 -13.718 1.00 53.10 H new ATOM 0 HG22 ILE A 14 18.984 3.740 -14.970 1.00 53.10 H new ATOM 0 HG23 ILE A 14 18.861 5.453 -15.439 1.00 53.10 H new ATOM 0 HD11 ILE A 14 15.610 6.967 -12.667 1.00 41.12 H new ATOM 0 HD12 ILE A 14 15.406 5.202 -12.580 1.00 41.12 H new ATOM 0 HD13 ILE A 14 17.012 5.925 -12.326 1.00 41.12 H new ATOM 226 N LYS A 15 16.881 1.757 -16.190 1.00 25.12 N ATOM 227 CA LYS A 15 17.540 0.503 -16.537 1.00 51.34 C ATOM 228 C LYS A 15 17.415 0.219 -18.031 1.00 31.02 C ATOM 229 O LYS A 15 18.376 -0.202 -18.676 1.00 53.33 O ATOM 230 CB LYS A 15 16.938 -0.652 -15.735 1.00 74.52 C ATOM 231 CG LYS A 15 17.962 -1.431 -14.928 1.00 32.03 C ATOM 232 CD LYS A 15 17.661 -2.920 -14.933 1.00 70.43 C ATOM 233 CE LYS A 15 16.645 -3.288 -13.863 1.00 53.10 C ATOM 234 NZ LYS A 15 15.704 -4.344 -14.330 1.00 43.22 N ATOM 0 H LYS A 15 16.050 1.649 -15.608 1.00 25.12 H new ATOM 0 HA LYS A 15 18.598 0.596 -16.290 1.00 51.34 H new ATOM 0 HB2 LYS A 15 16.179 -0.257 -15.059 1.00 74.52 H new ATOM 0 HB3 LYS A 15 16.432 -1.333 -16.419 1.00 74.52 H new ATOM 0 HG2 LYS A 15 18.957 -1.259 -15.338 1.00 32.03 H new ATOM 0 HG3 LYS A 15 17.973 -1.065 -13.901 1.00 32.03 H new ATOM 0 HD2 LYS A 15 17.281 -3.212 -15.912 1.00 70.43 H new ATOM 0 HD3 LYS A 15 18.582 -3.479 -14.769 1.00 70.43 H new ATOM 0 HE2 LYS A 15 17.167 -3.635 -12.971 1.00 53.10 H new ATOM 0 HE3 LYS A 15 16.081 -2.400 -13.577 1.00 53.10 H new ATOM 0 HZ1 LYS A 15 15.028 -4.566 -13.572 1.00 43.22 H new ATOM 0 HZ2 LYS A 15 15.187 -4.004 -15.166 1.00 43.22 H new ATOM 0 HZ3 LYS A 15 16.239 -5.200 -14.579 1.00 43.22 H new ATOM 248 N THR A 16 16.225 0.453 -18.576 1.00 31.43 N ATOM 249 CA THR A 16 15.975 0.222 -19.993 1.00 33.02 C ATOM 250 C THR A 16 16.861 1.109 -20.859 1.00 42.22 C ATOM 251 O THR A 16 17.578 0.622 -21.734 1.00 34.22 O ATOM 252 CB THR A 16 14.500 0.482 -20.352 1.00 54.14 C ATOM 253 OG1 THR A 16 13.645 -0.057 -19.338 1.00 25.35 O ATOM 254 CG2 THR A 16 14.153 -0.139 -21.697 1.00 52.11 C ATOM 0 H THR A 16 15.419 0.802 -18.057 1.00 31.43 H new ATOM 0 HA THR A 16 16.210 -0.824 -20.190 1.00 33.02 H new ATOM 0 HB THR A 16 14.350 1.560 -20.417 1.00 54.14 H new ATOM 0 HG1 THR A 16 13.545 0.596 -18.614 1.00 25.35 H new ATOM 0 HG21 THR A 16 13.106 0.058 -21.929 1.00 52.11 H new ATOM 0 HG22 THR A 16 14.785 0.295 -22.472 1.00 52.11 H new ATOM 0 HG23 THR A 16 14.319 -1.215 -21.654 1.00 52.11 H new ATOM 262 N ARG A 17 16.809 2.414 -20.610 1.00 74.42 N ATOM 263 CA ARG A 17 17.607 3.369 -21.369 1.00 22.14 C ATOM 264 C ARG A 17 19.098 3.127 -21.149 1.00 13.44 C ATOM 265 O ARG A 17 19.911 3.339 -22.049 1.00 75.04 O ATOM 266 CB ARG A 17 17.247 4.800 -20.966 1.00 53.24 C ATOM 267 CG ARG A 17 16.295 5.484 -21.935 1.00 23.32 C ATOM 268 CD ARG A 17 14.880 5.536 -21.382 1.00 32.14 C ATOM 269 NE ARG A 17 13.900 5.025 -22.336 1.00 71.42 N ATOM 270 CZ ARG A 17 12.595 4.973 -22.093 1.00 70.33 C ATOM 271 NH1 ARG A 17 12.116 5.399 -20.933 1.00 11.11 N ATOM 272 NH2 ARG A 17 11.766 4.494 -23.012 1.00 63.14 N ATOM 0 H ARG A 17 16.223 2.834 -19.889 1.00 74.42 H new ATOM 0 HA ARG A 17 17.386 3.230 -22.427 1.00 22.14 H new ATOM 0 HB2 ARG A 17 16.795 4.786 -19.974 1.00 53.24 H new ATOM 0 HB3 ARG A 17 18.161 5.389 -20.892 1.00 53.24 H new ATOM 0 HG2 ARG A 17 16.645 6.496 -22.137 1.00 23.32 H new ATOM 0 HG3 ARG A 17 16.296 4.950 -22.885 1.00 23.32 H new ATOM 0 HD2 ARG A 17 14.829 4.953 -20.462 1.00 32.14 H new ATOM 0 HD3 ARG A 17 14.630 6.565 -21.122 1.00 32.14 H new ATOM 0 HE ARG A 17 14.236 4.689 -23.239 1.00 71.42 H new ATOM 0 HH11 ARG A 17 12.750 5.768 -20.224 1.00 11.11 H new ATOM 0 HH12 ARG A 17 11.114 5.358 -20.749 1.00 11.11 H new ATOM 0 HH21 ARG A 17 12.131 4.165 -23.906 1.00 63.14 H new ATOM 0 HH22 ARG A 17 10.764 4.455 -22.824 1.00 63.14 H new ATOM 286 N CYS A 18 19.449 2.684 -19.947 1.00 14.35 N ATOM 287 CA CYS A 18 20.842 2.415 -19.607 1.00 54.35 C ATOM 288 C CYS A 18 21.359 1.195 -20.362 1.00 71.01 C ATOM 289 O CYS A 18 22.517 1.155 -20.775 1.00 64.23 O ATOM 290 CB CYS A 18 20.989 2.198 -18.101 1.00 14.43 C ATOM 291 SG CYS A 18 22.594 1.531 -17.604 1.00 41.22 S ATOM 0 H CYS A 18 18.788 2.503 -19.191 1.00 14.35 H new ATOM 0 HA CYS A 18 21.436 3.281 -19.901 1.00 54.35 H new ATOM 0 HB2 CYS A 18 20.829 3.148 -17.591 1.00 14.43 H new ATOM 0 HB3 CYS A 18 20.206 1.519 -17.765 1.00 14.43 H new ATOM 0 HG CYS A 18 23.291 2.463 -17.024 1.00 41.22 H new ATOM 297 N GLN A 19 20.493 0.202 -20.536 1.00 55.21 N ATOM 298 CA GLN A 19 20.863 -1.020 -21.239 1.00 25.30 C ATOM 299 C GLN A 19 20.997 -0.768 -22.737 1.00 52.21 C ATOM 300 O GLN A 19 21.940 -1.236 -23.374 1.00 22.03 O ATOM 301 CB GLN A 19 19.826 -2.115 -20.985 1.00 14.24 C ATOM 302 CG GLN A 19 19.754 -2.560 -19.533 1.00 12.43 C ATOM 303 CD GLN A 19 20.497 -3.857 -19.282 1.00 41.14 C ATOM 304 OE1 GLN A 19 21.717 -3.926 -19.436 1.00 31.43 O ATOM 305 NE2 GLN A 19 19.764 -4.894 -18.894 1.00 62.04 N ATOM 0 H GLN A 19 19.530 0.220 -20.200 1.00 55.21 H new ATOM 0 HA GLN A 19 21.829 -1.349 -20.857 1.00 25.30 H new ATOM 0 HB2 GLN A 19 18.845 -1.754 -21.295 1.00 14.24 H new ATOM 0 HB3 GLN A 19 20.060 -2.977 -21.609 1.00 14.24 H new ATOM 0 HG2 GLN A 19 20.170 -1.779 -18.897 1.00 12.43 H new ATOM 0 HG3 GLN A 19 18.710 -2.683 -19.246 1.00 12.43 H new ATOM 0 HE21 GLN A 19 18.756 -4.791 -18.779 1.00 62.04 H new ATOM 0 HE22 GLN A 19 20.209 -5.793 -18.711 1.00 62.04 H new ATOM 314 N ALA A 20 20.046 -0.025 -23.294 1.00 32.00 N ATOM 315 CA ALA A 20 20.058 0.291 -24.717 1.00 22.11 C ATOM 316 C ALA A 20 21.093 1.366 -25.032 1.00 31.05 C ATOM 317 O ALA A 20 21.616 1.432 -26.145 1.00 14.21 O ATOM 318 CB ALA A 20 18.676 0.737 -25.170 1.00 61.05 C ATOM 0 H ALA A 20 19.257 0.369 -22.781 1.00 32.00 H new ATOM 0 HA ALA A 20 20.333 -0.612 -25.262 1.00 22.11 H new ATOM 0 HB1 ALA A 20 18.700 0.970 -26.235 1.00 61.05 H new ATOM 0 HB2 ALA A 20 17.958 -0.063 -24.989 1.00 61.05 H new ATOM 0 HB3 ALA A 20 18.379 1.624 -24.611 1.00 61.05 H new ATOM 324 N LEU A 21 21.384 2.207 -24.045 1.00 61.22 N ATOM 325 CA LEU A 21 22.357 3.280 -24.217 1.00 53.41 C ATOM 326 C LEU A 21 22.040 4.109 -25.458 1.00 71.52 C ATOM 327 O LEU A 21 22.933 4.686 -26.077 1.00 23.44 O ATOM 328 CB LEU A 21 23.770 2.703 -24.322 1.00 15.30 C ATOM 329 CG LEU A 21 24.368 2.153 -23.027 1.00 34.12 C ATOM 330 CD1 LEU A 21 25.773 1.625 -23.270 1.00 1.31 C ATOM 331 CD2 LEU A 21 24.378 3.225 -21.946 1.00 74.54 C ATOM 0 H LEU A 21 20.960 2.166 -23.118 1.00 61.22 H new ATOM 0 HA LEU A 21 22.301 3.930 -23.344 1.00 53.41 H new ATOM 0 HB2 LEU A 21 23.760 1.903 -25.063 1.00 15.30 H new ATOM 0 HB3 LEU A 21 24.431 3.481 -24.702 1.00 15.30 H new ATOM 0 HG LEU A 21 23.746 1.326 -22.685 1.00 34.12 H new ATOM 0 HD11 LEU A 21 26.183 1.238 -22.337 1.00 1.31 H new ATOM 0 HD12 LEU A 21 25.738 0.826 -24.011 1.00 1.31 H new ATOM 0 HD13 LEU A 21 26.407 2.432 -23.637 1.00 1.31 H new ATOM 0 HD21 LEU A 21 24.807 2.816 -21.031 1.00 74.54 H new ATOM 0 HD22 LEU A 21 24.976 4.073 -22.280 1.00 74.54 H new ATOM 0 HD23 LEU A 21 23.358 3.555 -21.752 1.00 74.54 H new ATOM 343 N GLY A 22 20.760 4.164 -25.816 1.00 24.01 N ATOM 344 CA GLY A 22 20.348 4.926 -26.980 1.00 60.32 C ATOM 345 C GLY A 22 19.891 6.326 -26.624 1.00 54.44 C ATOM 346 O GLY A 22 19.281 7.014 -27.442 1.00 42.42 O ATOM 0 H GLY A 22 20.002 3.695 -25.321 1.00 24.01 H new ATOM 0 HA2 GLY A 22 21.178 4.986 -27.684 1.00 60.32 H new ATOM 0 HA3 GLY A 22 19.538 4.401 -27.486 1.00 60.32 H new ATOM 350 N GLY A 23 20.184 6.750 -25.399 1.00 32.25 N ATOM 351 CA GLY A 23 19.789 8.075 -24.957 1.00 63.22 C ATOM 352 C GLY A 23 20.741 9.153 -25.436 1.00 62.21 C ATOM 353 O GLY A 23 20.385 9.975 -26.280 1.00 14.35 O ATOM 0 H GLY A 23 20.688 6.199 -24.704 1.00 32.25 H new ATOM 0 HA2 GLY A 23 18.785 8.292 -25.322 1.00 63.22 H new ATOM 0 HA3 GLY A 23 19.743 8.093 -23.868 1.00 63.22 H new ATOM 357 N SER A 24 21.956 9.150 -24.896 1.00 13.32 N ATOM 358 CA SER A 24 22.960 10.139 -25.269 1.00 44.11 C ATOM 359 C SER A 24 24.261 9.906 -24.507 1.00 65.23 C ATOM 360 O SER A 24 24.248 9.554 -23.328 1.00 73.44 O ATOM 361 CB SER A 24 22.442 11.552 -24.995 1.00 41.32 C ATOM 362 OG SER A 24 22.256 12.270 -26.203 1.00 11.13 O ATOM 0 H SER A 24 22.268 8.474 -24.199 1.00 13.32 H new ATOM 0 HA SER A 24 23.159 10.033 -26.335 1.00 44.11 H new ATOM 0 HB2 SER A 24 21.499 11.498 -24.451 1.00 41.32 H new ATOM 0 HB3 SER A 24 23.148 12.084 -24.357 1.00 41.32 H new ATOM 0 HG SER A 24 21.569 11.828 -26.744 1.00 11.13 H new ATOM 368 N GLU A 25 25.384 10.105 -25.191 1.00 1.11 N ATOM 369 CA GLU A 25 26.694 9.916 -24.579 1.00 61.51 C ATOM 370 C GLU A 25 26.787 10.660 -23.250 1.00 73.31 C ATOM 371 O GLU A 25 27.415 10.186 -22.304 1.00 10.10 O ATOM 372 CB GLU A 25 27.797 10.397 -25.524 1.00 3.12 C ATOM 373 CG GLU A 25 27.519 11.757 -26.142 1.00 12.15 C ATOM 374 CD GLU A 25 28.714 12.313 -26.892 1.00 32.15 C ATOM 375 OE1 GLU A 25 29.797 11.695 -26.821 1.00 42.40 O ATOM 376 OE2 GLU A 25 28.566 13.364 -27.548 1.00 41.53 O ATOM 0 H GLU A 25 25.413 10.397 -26.168 1.00 1.11 H new ATOM 0 HA GLU A 25 26.827 8.851 -24.389 1.00 61.51 H new ATOM 0 HB2 GLU A 25 28.739 10.442 -24.977 1.00 3.12 H new ATOM 0 HB3 GLU A 25 27.926 9.665 -26.321 1.00 3.12 H new ATOM 0 HG2 GLU A 25 26.673 11.676 -26.824 1.00 12.15 H new ATOM 0 HG3 GLU A 25 27.230 12.456 -25.357 1.00 12.15 H new ATOM 383 N ALA A 26 26.156 11.828 -23.188 1.00 5.12 N ATOM 384 CA ALA A 26 26.166 12.638 -21.976 1.00 20.43 C ATOM 385 C ALA A 26 25.052 12.215 -21.024 1.00 73.25 C ATOM 386 O ALA A 26 25.226 12.225 -19.807 1.00 4.05 O ATOM 387 CB ALA A 26 26.033 14.113 -22.325 1.00 23.51 C ATOM 0 H ALA A 26 25.632 12.234 -23.963 1.00 5.12 H new ATOM 0 HA ALA A 26 27.119 12.480 -21.471 1.00 20.43 H new ATOM 0 HB1 ALA A 26 26.042 14.706 -21.410 1.00 23.51 H new ATOM 0 HB2 ALA A 26 26.866 14.413 -22.960 1.00 23.51 H new ATOM 0 HB3 ALA A 26 25.095 14.278 -22.855 1.00 23.51 H new ATOM 393 N GLU A 27 23.907 11.844 -21.589 1.00 54.41 N ATOM 394 CA GLU A 27 22.764 11.420 -20.789 1.00 75.24 C ATOM 395 C GLU A 27 23.170 10.340 -19.790 1.00 54.23 C ATOM 396 O GLU A 27 22.637 10.273 -18.682 1.00 12.32 O ATOM 397 CB GLU A 27 21.645 10.898 -21.694 1.00 44.23 C ATOM 398 CG GLU A 27 20.592 11.942 -22.023 1.00 53.33 C ATOM 399 CD GLU A 27 19.760 12.333 -20.817 1.00 25.33 C ATOM 400 OE1 GLU A 27 20.172 13.260 -20.088 1.00 41.25 O ATOM 401 OE2 GLU A 27 18.699 11.711 -20.600 1.00 43.23 O ATOM 0 H GLU A 27 23.747 11.829 -22.596 1.00 54.41 H new ATOM 0 HA GLU A 27 22.400 12.285 -20.235 1.00 75.24 H new ATOM 0 HB2 GLU A 27 22.082 10.530 -22.622 1.00 44.23 H new ATOM 0 HB3 GLU A 27 21.164 10.049 -21.209 1.00 44.23 H new ATOM 0 HG2 GLU A 27 21.080 12.830 -22.426 1.00 53.33 H new ATOM 0 HG3 GLU A 27 19.935 11.557 -22.803 1.00 53.33 H new ATOM 408 N CYS A 28 24.115 9.497 -20.191 1.00 11.41 N ATOM 409 CA CYS A 28 24.592 8.419 -19.332 1.00 1.31 C ATOM 410 C CYS A 28 24.987 8.953 -17.959 1.00 33.44 C ATOM 411 O CYS A 28 24.645 8.366 -16.932 1.00 60.23 O ATOM 412 CB CYS A 28 25.784 7.713 -19.980 1.00 33.33 C ATOM 413 SG CYS A 28 25.479 7.152 -21.671 1.00 72.33 S ATOM 0 H CYS A 28 24.566 9.539 -21.105 1.00 11.41 H new ATOM 0 HA CYS A 28 23.780 7.703 -19.204 1.00 1.31 H new ATOM 0 HB2 CYS A 28 26.637 8.391 -19.982 1.00 33.33 H new ATOM 0 HB3 CYS A 28 26.061 6.854 -19.368 1.00 33.33 H new ATOM 0 HG CYS A 28 24.990 8.132 -22.372 1.00 72.33 H new ATOM 419 N ALA A 29 25.709 10.068 -17.948 1.00 24.21 N ATOM 420 CA ALA A 29 26.150 10.680 -16.701 1.00 4.41 C ATOM 421 C ALA A 29 24.969 10.955 -15.777 1.00 2.35 C ATOM 422 O ALA A 29 24.958 10.526 -14.623 1.00 63.44 O ATOM 423 CB ALA A 29 26.911 11.967 -16.985 1.00 63.01 C ATOM 0 H ALA A 29 26.001 10.566 -18.789 1.00 24.21 H new ATOM 0 HA ALA A 29 26.817 9.980 -16.197 1.00 4.41 H new ATOM 0 HB1 ALA A 29 27.234 12.413 -16.045 1.00 63.01 H new ATOM 0 HB2 ALA A 29 27.783 11.746 -17.601 1.00 63.01 H new ATOM 0 HB3 ALA A 29 26.261 12.665 -17.513 1.00 63.01 H new ATOM 429 N ALA A 30 23.977 11.675 -16.290 1.00 73.42 N ATOM 430 CA ALA A 30 22.790 12.006 -15.511 1.00 23.53 C ATOM 431 C ALA A 30 22.119 10.747 -14.972 1.00 30.04 C ATOM 432 O ALA A 30 21.564 10.750 -13.873 1.00 21.55 O ATOM 433 CB ALA A 30 21.811 12.808 -16.355 1.00 3.02 C ATOM 0 H ALA A 30 23.972 12.041 -17.242 1.00 73.42 H new ATOM 0 HA ALA A 30 23.101 12.613 -14.661 1.00 23.53 H new ATOM 0 HB1 ALA A 30 20.930 13.048 -15.760 1.00 3.02 H new ATOM 0 HB2 ALA A 30 22.287 13.731 -16.687 1.00 3.02 H new ATOM 0 HB3 ALA A 30 21.514 12.221 -17.224 1.00 3.02 H new ATOM 439 N PHE A 31 22.172 9.673 -15.752 1.00 64.21 N ATOM 440 CA PHE A 31 21.568 8.407 -15.353 1.00 53.23 C ATOM 441 C PHE A 31 22.258 7.841 -14.116 1.00 70.51 C ATOM 442 O PHE A 31 21.603 7.476 -13.140 1.00 61.33 O ATOM 443 CB PHE A 31 21.643 7.398 -16.501 1.00 22.44 C ATOM 444 CG PHE A 31 20.341 7.217 -17.227 1.00 32.24 C ATOM 445 CD1 PHE A 31 19.504 8.297 -17.455 1.00 42.45 C ATOM 446 CD2 PHE A 31 19.953 5.967 -17.681 1.00 23.53 C ATOM 447 CE1 PHE A 31 18.305 8.134 -18.123 1.00 30.55 C ATOM 448 CE2 PHE A 31 18.755 5.797 -18.349 1.00 23.51 C ATOM 449 CZ PHE A 31 17.931 6.882 -18.571 1.00 34.21 C ATOM 0 H PHE A 31 22.627 9.654 -16.665 1.00 64.21 H new ATOM 0 HA PHE A 31 20.522 8.593 -15.110 1.00 53.23 H new ATOM 0 HB2 PHE A 31 22.403 7.724 -17.211 1.00 22.44 H new ATOM 0 HB3 PHE A 31 21.967 6.435 -16.107 1.00 22.44 H new ATOM 0 HD1 PHE A 31 19.792 9.278 -17.107 1.00 42.45 H new ATOM 0 HD2 PHE A 31 20.594 5.115 -17.511 1.00 23.53 H new ATOM 0 HE1 PHE A 31 17.661 8.984 -18.294 1.00 30.55 H new ATOM 0 HE2 PHE A 31 18.464 4.817 -18.697 1.00 23.51 H new ATOM 0 HZ PHE A 31 16.995 6.752 -19.094 1.00 34.21 H new ATOM 459 N GLU A 32 23.585 7.770 -14.166 1.00 34.01 N ATOM 460 CA GLU A 32 24.364 7.246 -13.050 1.00 15.51 C ATOM 461 C GLU A 32 24.091 8.041 -11.776 1.00 12.00 C ATOM 462 O GLU A 32 23.849 7.469 -10.713 1.00 71.31 O ATOM 463 CB GLU A 32 25.857 7.286 -13.379 1.00 23.12 C ATOM 464 CG GLU A 32 26.723 6.557 -12.365 1.00 42.00 C ATOM 465 CD GLU A 32 27.481 7.505 -11.456 1.00 13.21 C ATOM 466 OE1 GLU A 32 28.480 8.097 -11.915 1.00 53.10 O ATOM 467 OE2 GLU A 32 27.074 7.655 -10.285 1.00 14.23 O ATOM 0 H GLU A 32 24.142 8.068 -14.967 1.00 34.01 H new ATOM 0 HA GLU A 32 24.064 6.212 -12.884 1.00 15.51 H new ATOM 0 HB2 GLU A 32 26.016 6.845 -14.363 1.00 23.12 H new ATOM 0 HB3 GLU A 32 26.180 8.325 -13.439 1.00 23.12 H new ATOM 0 HG2 GLU A 32 26.095 5.904 -11.760 1.00 42.00 H new ATOM 0 HG3 GLU A 32 27.433 5.919 -12.891 1.00 42.00 H new ATOM 474 N LYS A 33 24.132 9.364 -11.891 1.00 3.12 N ATOM 475 CA LYS A 33 23.889 10.240 -10.750 1.00 65.53 C ATOM 476 C LYS A 33 22.507 9.989 -10.157 1.00 20.35 C ATOM 477 O LYS A 33 22.365 9.806 -8.948 1.00 61.41 O ATOM 478 CB LYS A 33 24.018 11.706 -11.170 1.00 74.41 C ATOM 479 CG LYS A 33 25.448 12.138 -11.442 1.00 61.42 C ATOM 480 CD LYS A 33 25.541 13.011 -12.682 1.00 54.11 C ATOM 481 CE LYS A 33 25.133 14.446 -12.385 1.00 3.04 C ATOM 482 NZ LYS A 33 24.621 15.140 -13.598 1.00 41.24 N ATOM 0 H LYS A 33 24.331 9.854 -12.763 1.00 3.12 H new ATOM 0 HA LYS A 33 24.637 10.020 -9.988 1.00 65.53 H new ATOM 0 HB2 LYS A 33 23.421 11.872 -12.066 1.00 74.41 H new ATOM 0 HB3 LYS A 33 23.599 12.338 -10.386 1.00 74.41 H new ATOM 0 HG2 LYS A 33 25.834 12.685 -10.581 1.00 61.42 H new ATOM 0 HG3 LYS A 33 26.077 11.257 -11.568 1.00 61.42 H new ATOM 0 HD2 LYS A 33 26.561 12.994 -13.065 1.00 54.11 H new ATOM 0 HD3 LYS A 33 24.900 12.604 -13.464 1.00 54.11 H new ATOM 0 HE2 LYS A 33 24.365 14.452 -11.612 1.00 3.04 H new ATOM 0 HE3 LYS A 33 25.989 14.992 -11.988 1.00 3.04 H new ATOM 0 HZ1 LYS A 33 24.354 16.115 -13.353 1.00 41.24 H new ATOM 0 HZ2 LYS A 33 25.362 15.157 -14.327 1.00 41.24 H new ATOM 0 HZ3 LYS A 33 23.789 14.634 -13.962 1.00 41.24 H new ATOM 496 N GLU A 34 21.492 9.981 -11.015 1.00 32.32 N ATOM 497 CA GLU A 34 20.121 9.751 -10.573 1.00 41.33 C ATOM 498 C GLU A 34 20.019 8.463 -9.762 1.00 61.10 C ATOM 499 O GLU A 34 19.427 8.442 -8.683 1.00 1.25 O ATOM 500 CB GLU A 34 19.178 9.685 -11.777 1.00 5.12 C ATOM 501 CG GLU A 34 18.009 10.651 -11.688 1.00 10.01 C ATOM 502 CD GLU A 34 16.948 10.381 -12.737 1.00 43.14 C ATOM 503 OE1 GLU A 34 17.178 9.509 -13.602 1.00 2.33 O ATOM 504 OE2 GLU A 34 15.889 11.041 -12.695 1.00 3.21 O ATOM 0 H GLU A 34 21.593 10.131 -12.019 1.00 32.32 H new ATOM 0 HA GLU A 34 19.827 10.585 -9.935 1.00 41.33 H new ATOM 0 HB2 GLU A 34 19.745 9.896 -12.684 1.00 5.12 H new ATOM 0 HB3 GLU A 34 18.793 8.670 -11.871 1.00 5.12 H new ATOM 0 HG2 GLU A 34 17.560 10.582 -10.697 1.00 10.01 H new ATOM 0 HG3 GLU A 34 18.376 11.671 -11.802 1.00 10.01 H new ATOM 511 N ILE A 35 20.600 7.391 -10.290 1.00 74.21 N ATOM 512 CA ILE A 35 20.575 6.099 -9.616 1.00 32.15 C ATOM 513 C ILE A 35 21.229 6.184 -8.241 1.00 0.03 C ATOM 514 O ILE A 35 20.702 5.664 -7.258 1.00 33.01 O ATOM 515 CB ILE A 35 21.290 5.016 -10.446 1.00 14.43 C ATOM 516 CG1 ILE A 35 20.543 4.774 -11.759 1.00 40.21 C ATOM 517 CG2 ILE A 35 21.402 3.726 -9.648 1.00 62.32 C ATOM 518 CD1 ILE A 35 19.162 4.188 -11.570 1.00 33.44 C ATOM 0 H ILE A 35 21.094 7.392 -11.183 1.00 74.21 H new ATOM 0 HA ILE A 35 19.527 5.824 -9.501 1.00 32.15 H new ATOM 0 HB ILE A 35 22.296 5.363 -10.681 1.00 14.43 H new ATOM 0 HG12 ILE A 35 20.458 5.718 -12.298 1.00 40.21 H new ATOM 0 HG13 ILE A 35 21.131 4.102 -12.384 1.00 40.21 H new ATOM 0 HG21 ILE A 35 21.909 2.970 -10.248 1.00 62.32 H new ATOM 0 HG22 ILE A 35 21.972 3.910 -8.737 1.00 62.32 H new ATOM 0 HG23 ILE A 35 20.405 3.372 -9.386 1.00 62.32 H new ATOM 0 HD11 ILE A 35 18.692 4.043 -12.543 1.00 33.44 H new ATOM 0 HD12 ILE A 35 19.241 3.229 -11.059 1.00 33.44 H new ATOM 0 HD13 ILE A 35 18.556 4.869 -10.972 1.00 33.44 H new ATOM 530 N ALA A 36 22.380 6.845 -8.179 1.00 64.03 N ATOM 531 CA ALA A 36 23.105 7.002 -6.924 1.00 40.04 C ATOM 532 C ALA A 36 22.224 7.645 -5.859 1.00 3.24 C ATOM 533 O ALA A 36 22.154 7.167 -4.727 1.00 13.11 O ATOM 534 CB ALA A 36 24.363 7.829 -7.142 1.00 4.24 C ATOM 0 H ALA A 36 22.831 7.281 -8.984 1.00 64.03 H new ATOM 0 HA ALA A 36 23.392 6.011 -6.571 1.00 40.04 H new ATOM 0 HB1 ALA A 36 24.895 7.938 -6.197 1.00 4.24 H new ATOM 0 HB2 ALA A 36 25.007 7.328 -7.865 1.00 4.24 H new ATOM 0 HB3 ALA A 36 24.090 8.814 -7.521 1.00 4.24 H new ATOM 540 N ALA A 37 21.555 8.732 -6.228 1.00 11.42 N ATOM 541 CA ALA A 37 20.678 9.440 -5.304 1.00 12.15 C ATOM 542 C ALA A 37 19.453 8.601 -4.957 1.00 73.45 C ATOM 543 O ALA A 37 18.911 8.699 -3.856 1.00 62.02 O ATOM 544 CB ALA A 37 20.254 10.776 -5.896 1.00 3.00 C ATOM 0 H ALA A 37 21.604 9.142 -7.161 1.00 11.42 H new ATOM 0 HA ALA A 37 21.233 9.623 -4.384 1.00 12.15 H new ATOM 0 HB1 ALA A 37 19.599 11.293 -5.195 1.00 3.00 H new ATOM 0 HB2 ALA A 37 21.137 11.386 -6.086 1.00 3.00 H new ATOM 0 HB3 ALA A 37 19.722 10.607 -6.832 1.00 3.00 H new ATOM 550 N PHE A 38 19.020 7.775 -5.905 1.00 11.41 N ATOM 551 CA PHE A 38 17.857 6.920 -5.701 1.00 30.55 C ATOM 552 C PHE A 38 18.105 5.926 -4.570 1.00 23.53 C ATOM 553 O PHE A 38 17.324 5.840 -3.623 1.00 22.12 O ATOM 554 CB PHE A 38 17.517 6.168 -6.990 1.00 2.45 C ATOM 555 CG PHE A 38 16.190 6.555 -7.577 1.00 12.25 C ATOM 556 CD1 PHE A 38 15.926 7.872 -7.919 1.00 62.43 C ATOM 557 CD2 PHE A 38 15.206 5.602 -7.786 1.00 50.40 C ATOM 558 CE1 PHE A 38 14.705 8.230 -8.459 1.00 4.12 C ATOM 559 CE2 PHE A 38 13.983 5.955 -8.326 1.00 23.03 C ATOM 560 CZ PHE A 38 13.733 7.271 -8.663 1.00 62.55 C ATOM 0 H PHE A 38 19.457 7.680 -6.822 1.00 11.41 H new ATOM 0 HA PHE A 38 17.015 7.555 -5.426 1.00 30.55 H new ATOM 0 HB2 PHE A 38 18.299 6.353 -7.726 1.00 2.45 H new ATOM 0 HB3 PHE A 38 17.517 5.097 -6.787 1.00 2.45 H new ATOM 0 HD1 PHE A 38 16.682 8.627 -7.762 1.00 62.43 H new ATOM 0 HD2 PHE A 38 15.397 4.572 -7.524 1.00 50.40 H new ATOM 0 HE1 PHE A 38 14.511 9.260 -8.721 1.00 4.12 H new ATOM 0 HE2 PHE A 38 13.224 5.203 -8.484 1.00 23.03 H new ATOM 0 HZ PHE A 38 12.779 7.549 -9.085 1.00 62.55 H new ATOM 570 N GLU A 39 19.198 5.176 -4.678 1.00 1.33 N ATOM 571 CA GLU A 39 19.548 4.187 -3.665 1.00 45.31 C ATOM 572 C GLU A 39 19.910 4.864 -2.346 1.00 34.22 C ATOM 573 O GLU A 39 19.578 4.366 -1.270 1.00 10.53 O ATOM 574 CB GLU A 39 20.718 3.325 -4.146 1.00 34.05 C ATOM 575 CG GLU A 39 21.950 4.128 -4.527 1.00 53.22 C ATOM 576 CD GLU A 39 23.076 3.257 -5.049 1.00 34.30 C ATOM 577 OE1 GLU A 39 22.889 2.614 -6.103 1.00 24.30 O ATOM 578 OE2 GLU A 39 24.144 3.218 -4.402 1.00 55.35 O ATOM 0 H GLU A 39 19.855 5.235 -5.456 1.00 1.33 H new ATOM 0 HA GLU A 39 18.679 3.550 -3.500 1.00 45.31 H new ATOM 0 HB2 GLU A 39 20.984 2.618 -3.360 1.00 34.05 H new ATOM 0 HB3 GLU A 39 20.396 2.739 -5.007 1.00 34.05 H new ATOM 0 HG2 GLU A 39 21.680 4.861 -5.287 1.00 53.22 H new ATOM 0 HG3 GLU A 39 22.300 4.685 -3.657 1.00 53.22 H new ATOM 585 N SER A 40 20.592 6.001 -2.438 1.00 30.31 N ATOM 586 CA SER A 40 21.003 6.744 -1.252 1.00 74.04 C ATOM 587 C SER A 40 19.795 7.359 -0.552 1.00 1.23 C ATOM 588 O SER A 40 19.805 7.561 0.662 1.00 22.52 O ATOM 589 CB SER A 40 22.000 7.840 -1.632 1.00 13.50 C ATOM 590 OG SER A 40 21.963 8.908 -0.700 1.00 63.43 O ATOM 0 H SER A 40 20.872 6.428 -3.321 1.00 30.31 H new ATOM 0 HA SER A 40 21.484 6.048 -0.565 1.00 74.04 H new ATOM 0 HB2 SER A 40 23.006 7.423 -1.672 1.00 13.50 H new ATOM 0 HB3 SER A 40 21.770 8.215 -2.629 1.00 13.50 H new ATOM 0 HG SER A 40 22.610 9.595 -0.964 1.00 63.43 H new ATOM 596 N GLU A 41 18.756 7.655 -1.327 1.00 4.43 N ATOM 597 CA GLU A 41 17.541 8.249 -0.781 1.00 24.43 C ATOM 598 C GLU A 41 16.628 7.176 -0.194 1.00 63.10 C ATOM 599 O GLU A 41 15.942 7.406 0.803 1.00 61.32 O ATOM 600 CB GLU A 41 16.797 9.030 -1.865 1.00 51.13 C ATOM 601 CG GLU A 41 17.335 10.435 -2.081 1.00 71.43 C ATOM 602 CD GLU A 41 16.662 11.460 -1.190 1.00 4.42 C ATOM 603 OE1 GLU A 41 15.598 11.981 -1.582 1.00 54.33 O ATOM 604 OE2 GLU A 41 17.202 11.742 -0.099 1.00 35.21 O ATOM 0 H GLU A 41 18.731 7.493 -2.334 1.00 4.43 H new ATOM 0 HA GLU A 41 17.828 8.934 0.017 1.00 24.43 H new ATOM 0 HB2 GLU A 41 16.857 8.479 -2.804 1.00 51.13 H new ATOM 0 HB3 GLU A 41 15.742 9.091 -1.598 1.00 51.13 H new ATOM 0 HG2 GLU A 41 18.408 10.442 -1.891 1.00 71.43 H new ATOM 0 HG3 GLU A 41 17.194 10.718 -3.124 1.00 71.43 H new ATOM 611 N LEU A 42 16.625 6.004 -0.819 1.00 71.14 N ATOM 612 CA LEU A 42 15.796 4.894 -0.361 1.00 1.43 C ATOM 613 C LEU A 42 16.423 4.211 0.850 1.00 31.14 C ATOM 614 O LEU A 42 15.720 3.656 1.694 1.00 74.52 O ATOM 615 CB LEU A 42 15.599 3.879 -1.488 1.00 13.41 C ATOM 616 CG LEU A 42 14.795 4.365 -2.695 1.00 32.42 C ATOM 617 CD1 LEU A 42 15.255 3.659 -3.961 1.00 40.42 C ATOM 618 CD2 LEU A 42 13.307 4.142 -2.469 1.00 35.42 C ATOM 0 H LEU A 42 17.187 5.797 -1.645 1.00 71.14 H new ATOM 0 HA LEU A 42 14.825 5.294 -0.068 1.00 1.43 H new ATOM 0 HB2 LEU A 42 16.581 3.557 -1.836 1.00 13.41 H new ATOM 0 HB3 LEU A 42 15.103 3.000 -1.076 1.00 13.41 H new ATOM 0 HG LEU A 42 14.968 5.434 -2.816 1.00 32.42 H new ATOM 0 HD11 LEU A 42 14.672 4.017 -4.810 1.00 40.42 H new ATOM 0 HD12 LEU A 42 16.311 3.869 -4.132 1.00 40.42 H new ATOM 0 HD13 LEU A 42 15.112 2.584 -3.851 1.00 40.42 H new ATOM 0 HD21 LEU A 42 12.750 4.494 -3.338 1.00 35.42 H new ATOM 0 HD22 LEU A 42 13.117 3.079 -2.322 1.00 35.42 H new ATOM 0 HD23 LEU A 42 12.987 4.694 -1.585 1.00 35.42 H new ATOM 630 N GLN A 43 17.749 4.258 0.930 1.00 52.13 N ATOM 631 CA GLN A 43 18.470 3.644 2.039 1.00 55.43 C ATOM 632 C GLN A 43 18.333 4.482 3.306 1.00 23.32 C ATOM 633 O GLN A 43 18.498 3.976 4.416 1.00 10.41 O ATOM 634 CB GLN A 43 19.947 3.474 1.682 1.00 3.13 C ATOM 635 CG GLN A 43 20.758 4.752 1.823 1.00 43.11 C ATOM 636 CD GLN A 43 21.559 4.797 3.110 1.00 74.14 C ATOM 637 OE1 GLN A 43 21.061 5.231 4.149 1.00 42.32 O ATOM 638 NE2 GLN A 43 22.806 4.347 3.047 1.00 63.40 N ATOM 0 H GLN A 43 18.346 4.715 0.240 1.00 52.13 H new ATOM 0 HA GLN A 43 18.034 2.663 2.225 1.00 55.43 H new ATOM 0 HB2 GLN A 43 20.381 2.706 2.322 1.00 3.13 H new ATOM 0 HB3 GLN A 43 20.025 3.115 0.656 1.00 3.13 H new ATOM 0 HG2 GLN A 43 21.436 4.843 0.974 1.00 43.11 H new ATOM 0 HG3 GLN A 43 20.086 5.610 1.788 1.00 43.11 H new ATOM 0 HE21 GLN A 43 23.178 3.996 2.164 1.00 63.40 H new ATOM 0 HE22 GLN A 43 23.393 4.352 3.881 1.00 63.40 H new ATOM 647 N ALA A 44 18.032 5.764 3.133 1.00 52.34 N ATOM 648 CA ALA A 44 17.872 6.671 4.263 1.00 52.25 C ATOM 649 C ALA A 44 16.541 6.439 4.969 1.00 75.42 C ATOM 650 O ALA A 44 16.374 6.797 6.135 1.00 45.00 O ATOM 651 CB ALA A 44 17.980 8.116 3.799 1.00 42.31 C ATOM 0 H ALA A 44 17.894 6.199 2.221 1.00 52.34 H new ATOM 0 HA ALA A 44 18.672 6.468 4.976 1.00 52.25 H new ATOM 0 HB1 ALA A 44 17.859 8.782 4.653 1.00 42.31 H new ATOM 0 HB2 ALA A 44 18.958 8.281 3.346 1.00 42.31 H new ATOM 0 HB3 ALA A 44 17.201 8.322 3.065 1.00 42.31 H new ATOM 657 N TYR A 45 15.595 5.838 4.255 1.00 31.34 N ATOM 658 CA TYR A 45 14.277 5.560 4.813 1.00 14.34 C ATOM 659 C TYR A 45 14.393 4.832 6.149 1.00 15.31 C ATOM 660 O TYR A 45 13.935 5.325 7.181 1.00 61.05 O ATOM 661 CB TYR A 45 13.451 4.724 3.834 1.00 12.31 C ATOM 662 CG TYR A 45 12.673 5.553 2.837 1.00 33.21 C ATOM 663 CD1 TYR A 45 11.857 6.596 3.257 1.00 0.11 C ATOM 664 CD2 TYR A 45 12.754 5.293 1.475 1.00 61.35 C ATOM 665 CE1 TYR A 45 11.144 7.355 2.350 1.00 52.14 C ATOM 666 CE2 TYR A 45 12.046 6.047 0.560 1.00 54.43 C ATOM 667 CZ TYR A 45 11.242 7.077 1.002 1.00 15.11 C ATOM 668 OH TYR A 45 10.534 7.832 0.095 1.00 73.32 O ATOM 0 H TYR A 45 15.717 5.534 3.289 1.00 31.34 H new ATOM 0 HA TYR A 45 13.774 6.512 4.981 1.00 14.34 H new ATOM 0 HB2 TYR A 45 14.116 4.050 3.293 1.00 12.31 H new ATOM 0 HB3 TYR A 45 12.756 4.102 4.397 1.00 12.31 H new ATOM 0 HD1 TYR A 45 11.779 6.817 4.311 1.00 0.11 H new ATOM 0 HD2 TYR A 45 13.382 4.487 1.125 1.00 61.35 H new ATOM 0 HE1 TYR A 45 10.513 8.162 2.694 1.00 52.14 H new ATOM 0 HE2 TYR A 45 12.121 5.831 -0.496 1.00 54.43 H new ATOM 0 HH TYR A 45 10.714 7.508 -0.812 1.00 73.32 H new ATOM 678 N LYS A 46 15.009 3.655 6.122 1.00 12.43 N ATOM 679 CA LYS A 46 15.188 2.858 7.329 1.00 24.35 C ATOM 680 C LYS A 46 16.058 1.636 7.050 1.00 3.30 C ATOM 681 O LYS A 46 17.121 1.470 7.647 1.00 62.54 O ATOM 682 CB LYS A 46 13.831 2.415 7.880 1.00 73.03 C ATOM 683 CG LYS A 46 13.928 1.616 9.168 1.00 13.51 C ATOM 684 CD LYS A 46 13.310 2.366 10.337 1.00 45.43 C ATOM 685 CE LYS A 46 11.802 2.175 10.388 1.00 64.12 C ATOM 686 NZ LYS A 46 11.283 2.233 11.782 1.00 11.32 N ATOM 0 H LYS A 46 15.393 3.232 5.277 1.00 12.43 H new ATOM 0 HA LYS A 46 15.690 3.478 8.072 1.00 24.35 H new ATOM 0 HB2 LYS A 46 13.214 3.297 8.055 1.00 73.03 H new ATOM 0 HB3 LYS A 46 13.321 1.814 7.127 1.00 73.03 H new ATOM 0 HG2 LYS A 46 13.424 0.658 9.042 1.00 13.51 H new ATOM 0 HG3 LYS A 46 14.974 1.400 9.385 1.00 13.51 H new ATOM 0 HD2 LYS A 46 13.754 2.017 11.270 1.00 45.43 H new ATOM 0 HD3 LYS A 46 13.541 3.428 10.252 1.00 45.43 H new ATOM 0 HE2 LYS A 46 11.318 2.945 9.788 1.00 64.12 H new ATOM 0 HE3 LYS A 46 11.542 1.214 9.943 1.00 64.12 H new ATOM 0 HZ1 LYS A 46 10.252 2.099 11.774 1.00 11.32 H new ATOM 0 HZ2 LYS A 46 11.726 1.482 12.349 1.00 11.32 H new ATOM 0 HZ3 LYS A 46 11.508 3.159 12.198 1.00 11.32 H new ATOM 700 N GLY A 47 15.600 0.785 6.137 1.00 32.24 N ATOM 701 CA GLY A 47 16.349 -0.409 5.794 1.00 24.52 C ATOM 702 C GLY A 47 16.026 -1.578 6.703 1.00 33.42 C ATOM 703 O GLY A 47 15.534 -2.611 6.248 1.00 32.31 O ATOM 0 H GLY A 47 14.723 0.902 5.629 1.00 32.24 H new ATOM 0 HA2 GLY A 47 16.133 -0.685 4.762 1.00 24.52 H new ATOM 0 HA3 GLY A 47 17.416 -0.193 5.850 1.00 24.52 H new ATOM 707 N LYS A 48 16.303 -1.418 7.993 1.00 44.24 N ATOM 708 CA LYS A 48 16.039 -2.468 8.969 1.00 5.22 C ATOM 709 C LYS A 48 14.599 -2.959 8.865 1.00 41.45 C ATOM 710 O LYS A 48 14.347 -4.093 8.460 1.00 44.10 O ATOM 711 CB LYS A 48 16.313 -1.956 10.385 1.00 25.23 C ATOM 712 CG LYS A 48 16.032 -2.983 11.468 1.00 32.42 C ATOM 713 CD LYS A 48 16.119 -2.369 12.855 1.00 24.54 C ATOM 714 CE LYS A 48 17.449 -2.687 13.522 1.00 31.14 C ATOM 715 NZ LYS A 48 17.341 -3.847 14.451 1.00 52.44 N ATOM 0 H LYS A 48 16.711 -0.570 8.387 1.00 44.24 H new ATOM 0 HA LYS A 48 16.705 -3.304 8.755 1.00 5.22 H new ATOM 0 HB2 LYS A 48 17.355 -1.643 10.454 1.00 25.23 H new ATOM 0 HB3 LYS A 48 15.702 -1.072 10.567 1.00 25.23 H new ATOM 0 HG2 LYS A 48 15.039 -3.408 11.319 1.00 32.42 H new ATOM 0 HG3 LYS A 48 16.745 -3.803 11.387 1.00 32.42 H new ATOM 0 HD2 LYS A 48 15.995 -1.288 12.784 1.00 24.54 H new ATOM 0 HD3 LYS A 48 15.302 -2.744 13.472 1.00 24.54 H new ATOM 0 HE2 LYS A 48 18.196 -2.902 12.758 1.00 31.14 H new ATOM 0 HE3 LYS A 48 17.798 -1.813 14.072 1.00 31.14 H new ATOM 0 HZ1 LYS A 48 18.268 -4.032 14.885 1.00 52.44 H new ATOM 0 HZ2 LYS A 48 16.647 -3.632 15.195 1.00 52.44 H new ATOM 0 HZ3 LYS A 48 17.033 -4.688 13.922 1.00 52.44 H new ATOM 729 N GLY A 49 13.656 -2.096 9.231 1.00 42.42 N ATOM 730 CA GLY A 49 12.253 -2.460 9.169 1.00 13.22 C ATOM 731 C GLY A 49 11.711 -2.443 7.754 1.00 40.04 C ATOM 732 O GLY A 49 10.684 -3.057 7.468 1.00 41.13 O ATOM 0 H GLY A 49 13.839 -1.151 9.569 1.00 42.42 H new ATOM 0 HA2 GLY A 49 12.120 -3.455 9.594 1.00 13.22 H new ATOM 0 HA3 GLY A 49 11.675 -1.771 9.784 1.00 13.22 H new ATOM 736 N ASN A 50 12.403 -1.736 6.865 1.00 34.43 N ATOM 737 CA ASN A 50 11.983 -1.640 5.472 1.00 62.12 C ATOM 738 C ASN A 50 13.004 -2.300 4.550 1.00 71.22 C ATOM 739 O ASN A 50 13.755 -1.635 3.837 1.00 50.44 O ATOM 740 CB ASN A 50 11.793 -0.175 5.075 1.00 43.32 C ATOM 741 CG ASN A 50 10.367 0.299 5.279 1.00 43.41 C ATOM 742 OD1 ASN A 50 9.760 0.047 6.320 1.00 64.12 O ATOM 743 ND2 ASN A 50 9.825 0.990 4.283 1.00 44.43 N ATOM 0 H ASN A 50 13.256 -1.222 7.085 1.00 34.43 H new ATOM 0 HA ASN A 50 11.033 -2.164 5.368 1.00 62.12 H new ATOM 0 HB2 ASN A 50 12.468 0.448 5.662 1.00 43.32 H new ATOM 0 HB3 ASN A 50 12.070 -0.046 4.029 1.00 43.32 H new ATOM 0 HD21 ASN A 50 8.869 1.335 4.363 1.00 44.43 H new ATOM 0 HD22 ASN A 50 10.365 1.176 3.438 1.00 44.43 H new ATOM 750 N PRO A 51 13.033 -3.641 4.563 1.00 73.14 N ATOM 751 CA PRO A 51 13.956 -4.421 3.733 1.00 75.13 C ATOM 752 C PRO A 51 13.607 -4.345 2.250 1.00 21.21 C ATOM 753 O PRO A 51 14.421 -4.690 1.394 1.00 30.11 O ATOM 754 CB PRO A 51 13.778 -5.850 4.251 1.00 34.23 C ATOM 755 CG PRO A 51 12.405 -5.875 4.830 1.00 1.02 C ATOM 756 CD PRO A 51 12.166 -4.499 5.388 1.00 22.11 C ATOM 0 HA PRO A 51 14.979 -4.052 3.804 1.00 75.13 H new ATOM 0 HB2 PRO A 51 13.882 -6.578 3.447 1.00 34.23 H new ATOM 0 HB3 PRO A 51 14.529 -6.095 5.002 1.00 34.23 H new ATOM 0 HG2 PRO A 51 11.665 -6.121 4.069 1.00 1.02 H new ATOM 0 HG3 PRO A 51 12.324 -6.632 5.610 1.00 1.02 H new ATOM 0 HD2 PRO A 51 11.119 -4.209 5.306 1.00 22.11 H new ATOM 0 HD3 PRO A 51 12.431 -4.442 6.444 1.00 22.11 H new ATOM 764 N GLU A 52 12.393 -3.891 1.955 1.00 60.34 N ATOM 765 CA GLU A 52 11.938 -3.771 0.574 1.00 22.14 C ATOM 766 C GLU A 52 12.913 -2.934 -0.249 1.00 22.02 C ATOM 767 O GLU A 52 13.062 -3.140 -1.453 1.00 41.24 O ATOM 768 CB GLU A 52 10.544 -3.143 0.526 1.00 34.54 C ATOM 769 CG GLU A 52 10.453 -1.806 1.242 1.00 30.22 C ATOM 770 CD GLU A 52 9.031 -1.444 1.624 1.00 31.33 C ATOM 771 OE1 GLU A 52 8.406 -2.214 2.383 1.00 12.34 O ATOM 772 OE2 GLU A 52 8.543 -0.391 1.164 1.00 45.42 O ATOM 0 H GLU A 52 11.708 -3.601 2.652 1.00 60.34 H new ATOM 0 HA GLU A 52 11.893 -4.772 0.145 1.00 22.14 H new ATOM 0 HB2 GLU A 52 10.251 -3.008 -0.515 1.00 34.54 H new ATOM 0 HB3 GLU A 52 9.828 -3.834 0.972 1.00 34.54 H new ATOM 0 HG2 GLU A 52 11.070 -1.836 2.140 1.00 30.22 H new ATOM 0 HG3 GLU A 52 10.863 -1.026 0.600 1.00 30.22 H new ATOM 779 N VAL A 53 13.575 -1.988 0.411 1.00 70.35 N ATOM 780 CA VAL A 53 14.536 -1.120 -0.259 1.00 1.23 C ATOM 781 C VAL A 53 15.698 -1.924 -0.832 1.00 34.13 C ATOM 782 O VAL A 53 16.396 -1.466 -1.735 1.00 3.32 O ATOM 783 CB VAL A 53 15.091 -0.051 0.702 1.00 74.11 C ATOM 784 CG1 VAL A 53 16.097 0.838 -0.012 1.00 41.21 C ATOM 785 CG2 VAL A 53 13.957 0.777 1.289 1.00 62.33 C ATOM 0 H VAL A 53 13.463 -1.804 1.408 1.00 70.35 H new ATOM 0 HA VAL A 53 14.004 -0.627 -1.072 1.00 1.23 H new ATOM 0 HB VAL A 53 15.605 -0.554 1.521 1.00 74.11 H new ATOM 0 HG11 VAL A 53 16.478 1.587 0.682 1.00 41.21 H new ATOM 0 HG12 VAL A 53 16.924 0.230 -0.379 1.00 41.21 H new ATOM 0 HG13 VAL A 53 15.611 1.336 -0.852 1.00 41.21 H new ATOM 0 HG21 VAL A 53 14.367 1.527 1.965 1.00 62.33 H new ATOM 0 HG22 VAL A 53 13.414 1.272 0.484 1.00 62.33 H new ATOM 0 HG23 VAL A 53 13.277 0.126 1.838 1.00 62.33 H new ATOM 795 N GLU A 54 15.897 -3.126 -0.300 1.00 60.22 N ATOM 796 CA GLU A 54 16.975 -3.994 -0.759 1.00 72.44 C ATOM 797 C GLU A 54 16.939 -4.151 -2.277 1.00 14.41 C ATOM 798 O GLU A 54 17.980 -4.235 -2.928 1.00 15.41 O ATOM 799 CB GLU A 54 16.873 -5.367 -0.092 1.00 22.42 C ATOM 800 CG GLU A 54 15.754 -6.233 -0.646 1.00 51.54 C ATOM 801 CD GLU A 54 16.190 -7.055 -1.844 1.00 4.55 C ATOM 802 OE1 GLU A 54 17.320 -7.587 -1.819 1.00 13.24 O ATOM 803 OE2 GLU A 54 15.402 -7.165 -2.806 1.00 33.54 O ATOM 0 H GLU A 54 15.327 -3.520 0.448 1.00 60.22 H new ATOM 0 HA GLU A 54 17.922 -3.532 -0.481 1.00 72.44 H new ATOM 0 HB2 GLU A 54 17.821 -5.892 -0.214 1.00 22.42 H new ATOM 0 HB3 GLU A 54 16.719 -5.231 0.978 1.00 22.42 H new ATOM 0 HG2 GLU A 54 15.395 -6.901 0.137 1.00 51.54 H new ATOM 0 HG3 GLU A 54 14.916 -5.598 -0.932 1.00 51.54 H new ATOM 810 N ALA A 55 15.732 -4.189 -2.833 1.00 62.32 N ATOM 811 CA ALA A 55 15.559 -4.334 -4.273 1.00 43.03 C ATOM 812 C ALA A 55 16.089 -3.112 -5.015 1.00 40.43 C ATOM 813 O ALA A 55 16.876 -3.236 -5.955 1.00 2.44 O ATOM 814 CB ALA A 55 14.093 -4.563 -4.608 1.00 51.24 C ATOM 0 H ALA A 55 14.860 -4.121 -2.308 1.00 62.32 H new ATOM 0 HA ALA A 55 16.134 -5.201 -4.598 1.00 43.03 H new ATOM 0 HB1 ALA A 55 13.979 -4.670 -5.687 1.00 51.24 H new ATOM 0 HB2 ALA A 55 13.745 -5.470 -4.115 1.00 51.24 H new ATOM 0 HB3 ALA A 55 13.504 -3.713 -4.263 1.00 51.24 H new ATOM 820 N LEU A 56 15.652 -1.932 -4.589 1.00 45.41 N ATOM 821 CA LEU A 56 16.083 -0.685 -5.214 1.00 35.51 C ATOM 822 C LEU A 56 17.595 -0.516 -5.106 1.00 54.14 C ATOM 823 O LEU A 56 18.241 -0.022 -6.030 1.00 51.53 O ATOM 824 CB LEU A 56 15.377 0.505 -4.562 1.00 73.12 C ATOM 825 CG LEU A 56 13.857 0.395 -4.432 1.00 41.32 C ATOM 826 CD1 LEU A 56 13.387 1.012 -3.124 1.00 24.23 C ATOM 827 CD2 LEU A 56 13.171 1.063 -5.615 1.00 41.01 C ATOM 0 H LEU A 56 15.000 -1.812 -3.814 1.00 45.41 H new ATOM 0 HA LEU A 56 15.815 -0.725 -6.270 1.00 35.51 H new ATOM 0 HB2 LEU A 56 15.797 0.650 -3.567 1.00 73.12 H new ATOM 0 HB3 LEU A 56 15.608 1.400 -5.139 1.00 73.12 H new ATOM 0 HG LEU A 56 13.587 -0.661 -4.430 1.00 41.32 H new ATOM 0 HD11 LEU A 56 12.303 0.924 -3.049 1.00 24.23 H new ATOM 0 HD12 LEU A 56 13.852 0.490 -2.288 1.00 24.23 H new ATOM 0 HD13 LEU A 56 13.669 2.065 -3.096 1.00 24.23 H new ATOM 0 HD21 LEU A 56 12.090 0.975 -5.506 1.00 41.01 H new ATOM 0 HD22 LEU A 56 13.448 2.117 -5.649 1.00 41.01 H new ATOM 0 HD23 LEU A 56 13.483 0.576 -6.539 1.00 41.01 H new ATOM 839 N ARG A 57 18.152 -0.931 -3.974 1.00 23.12 N ATOM 840 CA ARG A 57 19.588 -0.826 -3.746 1.00 65.01 C ATOM 841 C ARG A 57 20.358 -1.741 -4.695 1.00 13.05 C ATOM 842 O ARG A 57 21.369 -1.344 -5.275 1.00 15.25 O ATOM 843 CB ARG A 57 19.924 -1.179 -2.296 1.00 34.31 C ATOM 844 CG ARG A 57 20.905 -0.218 -1.646 1.00 44.11 C ATOM 845 CD ARG A 57 20.637 -0.070 -0.157 1.00 12.43 C ATOM 846 NE ARG A 57 21.871 -0.072 0.625 1.00 75.22 N ATOM 847 CZ ARG A 57 22.764 0.910 0.591 1.00 11.33 C ATOM 848 NH1 ARG A 57 22.561 1.969 -0.181 1.00 22.13 N ATOM 849 NH2 ARG A 57 23.862 0.835 1.332 1.00 45.33 N ATOM 0 H ARG A 57 17.631 -1.343 -3.200 1.00 23.12 H new ATOM 0 HA ARG A 57 19.886 0.204 -3.940 1.00 65.01 H new ATOM 0 HB2 ARG A 57 19.004 -1.195 -1.712 1.00 34.31 H new ATOM 0 HB3 ARG A 57 20.340 -2.186 -2.263 1.00 34.31 H new ATOM 0 HG2 ARG A 57 21.923 -0.576 -1.800 1.00 44.11 H new ATOM 0 HG3 ARG A 57 20.834 0.757 -2.128 1.00 44.11 H new ATOM 0 HD2 ARG A 57 20.095 0.859 0.023 1.00 12.43 H new ATOM 0 HD3 ARG A 57 19.994 -0.884 0.178 1.00 12.43 H new ATOM 0 HE ARG A 57 22.057 -0.872 1.230 1.00 75.22 H new ATOM 0 HH11 ARG A 57 21.717 2.031 -0.751 1.00 22.13 H new ATOM 0 HH12 ARG A 57 23.249 2.722 -0.205 1.00 22.13 H new ATOM 0 HH21 ARG A 57 24.020 0.023 1.928 1.00 45.33 H new ATOM 0 HH22 ARG A 57 24.548 1.590 1.305 1.00 45.33 H new ATOM 863 N LYS A 58 19.873 -2.968 -4.847 1.00 74.43 N ATOM 864 CA LYS A 58 20.513 -3.941 -5.725 1.00 54.23 C ATOM 865 C LYS A 58 20.496 -3.461 -7.173 1.00 11.50 C ATOM 866 O LYS A 58 21.546 -3.300 -7.795 1.00 34.13 O ATOM 867 CB LYS A 58 19.809 -5.296 -5.618 1.00 43.23 C ATOM 868 CG LYS A 58 20.298 -6.145 -4.458 1.00 3.13 C ATOM 869 CD LYS A 58 21.703 -6.670 -4.704 1.00 10.43 C ATOM 870 CE LYS A 58 21.679 -8.058 -5.323 1.00 75.53 C ATOM 871 NZ LYS A 58 23.051 -8.599 -5.527 1.00 60.20 N ATOM 0 H LYS A 58 19.038 -3.313 -4.373 1.00 74.43 H new ATOM 0 HA LYS A 58 21.550 -4.051 -5.409 1.00 54.23 H new ATOM 0 HB2 LYS A 58 18.737 -5.132 -5.510 1.00 43.23 H new ATOM 0 HB3 LYS A 58 19.955 -5.846 -6.547 1.00 43.23 H new ATOM 0 HG2 LYS A 58 20.285 -5.554 -3.542 1.00 3.13 H new ATOM 0 HG3 LYS A 58 19.617 -6.983 -4.307 1.00 3.13 H new ATOM 0 HD2 LYS A 58 22.238 -5.986 -5.363 1.00 10.43 H new ATOM 0 HD3 LYS A 58 22.251 -6.700 -3.762 1.00 10.43 H new ATOM 0 HE2 LYS A 58 21.115 -8.733 -4.679 1.00 75.53 H new ATOM 0 HE3 LYS A 58 21.158 -8.020 -6.280 1.00 75.53 H new ATOM 0 HZ1 LYS A 58 22.991 -9.547 -5.951 1.00 60.20 H new ATOM 0 HZ2 LYS A 58 23.582 -7.969 -6.162 1.00 60.20 H new ATOM 0 HZ3 LYS A 58 23.540 -8.660 -4.611 1.00 60.20 H new ATOM 885 N GLU A 59 19.298 -3.232 -7.702 1.00 40.22 N ATOM 886 CA GLU A 59 19.147 -2.769 -9.077 1.00 13.03 C ATOM 887 C GLU A 59 19.964 -1.503 -9.318 1.00 30.03 C ATOM 888 O GLU A 59 20.723 -1.416 -10.282 1.00 41.13 O ATOM 889 CB GLU A 59 17.672 -2.505 -9.390 1.00 5.20 C ATOM 890 CG GLU A 59 16.863 -3.770 -9.621 1.00 1.24 C ATOM 891 CD GLU A 59 15.368 -3.519 -9.591 1.00 32.32 C ATOM 892 OE1 GLU A 59 14.921 -2.691 -8.771 1.00 12.52 O ATOM 893 OE2 GLU A 59 14.645 -4.152 -10.388 1.00 71.55 O ATOM 0 H GLU A 59 18.419 -3.359 -7.200 1.00 40.22 H new ATOM 0 HA GLU A 59 19.518 -3.551 -9.740 1.00 13.03 H new ATOM 0 HB2 GLU A 59 17.229 -1.946 -8.566 1.00 5.20 H new ATOM 0 HB3 GLU A 59 17.605 -1.874 -10.276 1.00 5.20 H new ATOM 0 HG2 GLU A 59 17.136 -4.201 -10.584 1.00 1.24 H new ATOM 0 HG3 GLU A 59 17.120 -4.505 -8.859 1.00 1.24 H new ATOM 900 N ALA A 60 19.802 -0.524 -8.434 1.00 12.13 N ATOM 901 CA ALA A 60 20.525 0.737 -8.549 1.00 33.53 C ATOM 902 C ALA A 60 22.023 0.498 -8.698 1.00 5.11 C ATOM 903 O ALA A 60 22.652 1.000 -9.629 1.00 54.34 O ATOM 904 CB ALA A 60 20.246 1.617 -7.339 1.00 62.14 C ATOM 0 H ALA A 60 19.176 -0.580 -7.630 1.00 12.13 H new ATOM 0 HA ALA A 60 20.174 1.249 -9.445 1.00 33.53 H new ATOM 0 HB1 ALA A 60 20.792 2.555 -7.438 1.00 62.14 H new ATOM 0 HB2 ALA A 60 19.178 1.824 -7.278 1.00 62.14 H new ATOM 0 HB3 ALA A 60 20.568 1.103 -6.433 1.00 62.14 H new ATOM 910 N ALA A 61 22.591 -0.271 -7.774 1.00 14.51 N ATOM 911 CA ALA A 61 24.015 -0.576 -7.804 1.00 65.20 C ATOM 912 C ALA A 61 24.420 -1.174 -9.147 1.00 24.40 C ATOM 913 O ALA A 61 25.437 -0.793 -9.726 1.00 24.14 O ATOM 914 CB ALA A 61 24.376 -1.526 -6.671 1.00 54.20 C ATOM 0 H ALA A 61 22.086 -0.694 -6.995 1.00 14.51 H new ATOM 0 HA ALA A 61 24.564 0.356 -7.670 1.00 65.20 H new ATOM 0 HB1 ALA A 61 25.443 -1.745 -6.706 1.00 54.20 H new ATOM 0 HB2 ALA A 61 24.132 -1.062 -5.715 1.00 54.20 H new ATOM 0 HB3 ALA A 61 23.812 -2.452 -6.779 1.00 54.20 H new ATOM 920 N ALA A 62 23.618 -2.114 -9.637 1.00 3.10 N ATOM 921 CA ALA A 62 23.893 -2.764 -10.913 1.00 11.35 C ATOM 922 C ALA A 62 23.951 -1.745 -12.046 1.00 65.30 C ATOM 923 O ALA A 62 24.853 -1.786 -12.884 1.00 30.52 O ATOM 924 CB ALA A 62 22.838 -3.821 -11.204 1.00 42.12 C ATOM 0 H ALA A 62 22.773 -2.442 -9.170 1.00 3.10 H new ATOM 0 HA ALA A 62 24.867 -3.248 -10.845 1.00 11.35 H new ATOM 0 HB1 ALA A 62 23.055 -4.298 -12.159 1.00 42.12 H new ATOM 0 HB2 ALA A 62 22.847 -4.571 -10.413 1.00 42.12 H new ATOM 0 HB3 ALA A 62 21.855 -3.352 -11.248 1.00 42.12 H new ATOM 930 N ILE A 63 22.985 -0.833 -12.066 1.00 63.43 N ATOM 931 CA ILE A 63 22.928 0.195 -13.097 1.00 41.42 C ATOM 932 C ILE A 63 24.169 1.080 -13.060 1.00 44.50 C ATOM 933 O ILE A 63 24.746 1.402 -14.099 1.00 0.40 O ATOM 934 CB ILE A 63 21.676 1.079 -12.942 1.00 4.21 C ATOM 935 CG1 ILE A 63 20.410 0.224 -13.015 1.00 54.32 C ATOM 936 CG2 ILE A 63 21.655 2.160 -14.012 1.00 42.31 C ATOM 937 CD1 ILE A 63 19.354 0.621 -12.008 1.00 15.44 C ATOM 0 H ILE A 63 22.232 -0.785 -11.380 1.00 63.43 H new ATOM 0 HA ILE A 63 22.882 -0.322 -14.056 1.00 41.42 H new ATOM 0 HB ILE A 63 21.709 1.563 -11.966 1.00 4.21 H new ATOM 0 HG12 ILE A 63 19.990 0.297 -14.018 1.00 54.32 H new ATOM 0 HG13 ILE A 63 20.677 -0.821 -12.856 1.00 54.32 H new ATOM 0 HG21 ILE A 63 20.764 2.776 -13.889 1.00 42.31 H new ATOM 0 HG22 ILE A 63 22.544 2.784 -13.917 1.00 42.31 H new ATOM 0 HG23 ILE A 63 21.642 1.696 -14.998 1.00 42.31 H new ATOM 0 HD11 ILE A 63 18.485 -0.028 -12.117 1.00 15.44 H new ATOM 0 HD12 ILE A 63 19.757 0.521 -11.000 1.00 15.44 H new ATOM 0 HD13 ILE A 63 19.058 1.656 -12.180 1.00 15.44 H new ATOM 949 N ARG A 64 24.576 1.469 -11.856 1.00 43.10 N ATOM 950 CA ARG A 64 25.750 2.317 -11.683 1.00 30.50 C ATOM 951 C ARG A 64 26.997 1.638 -12.242 1.00 5.34 C ATOM 952 O ARG A 64 27.784 2.257 -12.959 1.00 71.31 O ATOM 953 CB ARG A 64 25.955 2.645 -10.203 1.00 35.11 C ATOM 954 CG ARG A 64 27.094 3.618 -9.947 1.00 32.13 C ATOM 955 CD ARG A 64 27.952 3.174 -8.772 1.00 15.51 C ATOM 956 NE ARG A 64 28.257 4.281 -7.869 1.00 34.24 N ATOM 957 CZ ARG A 64 28.994 4.152 -6.771 1.00 73.52 C ATOM 958 NH1 ARG A 64 29.499 2.970 -6.443 1.00 51.41 N ATOM 959 NH2 ARG A 64 29.227 5.205 -6.000 1.00 4.45 N ATOM 0 H ARG A 64 24.110 1.211 -10.986 1.00 43.10 H new ATOM 0 HA ARG A 64 25.583 3.243 -12.233 1.00 30.50 H new ATOM 0 HB2 ARG A 64 25.033 3.065 -9.801 1.00 35.11 H new ATOM 0 HB3 ARG A 64 26.148 1.721 -9.658 1.00 35.11 H new ATOM 0 HG2 ARG A 64 27.713 3.699 -10.841 1.00 32.13 H new ATOM 0 HG3 ARG A 64 26.689 4.610 -9.749 1.00 32.13 H new ATOM 0 HD2 ARG A 64 27.434 2.389 -8.221 1.00 15.51 H new ATOM 0 HD3 ARG A 64 28.881 2.743 -9.144 1.00 15.51 H new ATOM 0 HE ARG A 64 27.884 5.203 -8.094 1.00 34.24 H new ATOM 0 HH11 ARG A 64 29.322 2.158 -7.034 1.00 51.41 H new ATOM 0 HH12 ARG A 64 30.065 2.873 -5.600 1.00 51.41 H new ATOM 0 HH21 ARG A 64 28.840 6.115 -6.249 1.00 4.45 H new ATOM 0 HH22 ARG A 64 29.793 5.105 -5.157 1.00 4.45 H new ATOM 973 N ASP A 65 27.172 0.364 -11.907 1.00 53.53 N ATOM 974 CA ASP A 65 28.323 -0.398 -12.376 1.00 20.33 C ATOM 975 C ASP A 65 28.344 -0.470 -13.899 1.00 71.04 C ATOM 976 O ASP A 65 29.390 -0.295 -14.524 1.00 13.24 O ATOM 977 CB ASP A 65 28.301 -1.810 -11.787 1.00 14.44 C ATOM 978 CG ASP A 65 28.209 -1.804 -10.273 1.00 41.13 C ATOM 979 OD1 ASP A 65 28.930 -1.006 -9.638 1.00 11.20 O ATOM 980 OD2 ASP A 65 27.416 -2.597 -9.724 1.00 41.24 O ATOM 0 H ASP A 65 26.531 -0.162 -11.313 1.00 53.53 H new ATOM 0 HA ASP A 65 29.226 0.113 -12.042 1.00 20.33 H new ATOM 0 HB2 ASP A 65 27.453 -2.359 -12.198 1.00 14.44 H new ATOM 0 HB3 ASP A 65 29.203 -2.342 -12.091 1.00 14.44 H new ATOM 985 N GLU A 66 27.182 -0.730 -14.491 1.00 11.23 N ATOM 986 CA GLU A 66 27.069 -0.827 -15.941 1.00 55.52 C ATOM 987 C GLU A 66 27.441 0.496 -16.605 1.00 62.25 C ATOM 988 O GLU A 66 28.150 0.519 -17.612 1.00 64.32 O ATOM 989 CB GLU A 66 25.646 -1.226 -16.338 1.00 71.12 C ATOM 990 CG GLU A 66 25.162 -2.501 -15.668 1.00 23.11 C ATOM 991 CD GLU A 66 25.135 -3.684 -16.616 1.00 33.30 C ATOM 992 OE1 GLU A 66 25.941 -3.699 -17.569 1.00 44.44 O ATOM 993 OE2 GLU A 66 24.307 -4.595 -16.405 1.00 61.11 O ATOM 0 H GLU A 66 26.307 -0.877 -13.989 1.00 11.23 H new ATOM 0 HA GLU A 66 27.763 -1.594 -16.284 1.00 55.52 H new ATOM 0 HB2 GLU A 66 24.966 -0.412 -16.086 1.00 71.12 H new ATOM 0 HB3 GLU A 66 25.602 -1.355 -17.419 1.00 71.12 H new ATOM 0 HG2 GLU A 66 25.811 -2.732 -14.823 1.00 23.11 H new ATOM 0 HG3 GLU A 66 24.162 -2.339 -15.267 1.00 23.11 H new ATOM 1000 N CYS A 67 26.958 1.594 -16.036 1.00 20.05 N ATOM 1001 CA CYS A 67 27.239 2.921 -16.572 1.00 74.14 C ATOM 1002 C CYS A 67 28.736 3.212 -16.547 1.00 54.14 C ATOM 1003 O CYS A 67 29.289 3.748 -17.507 1.00 71.12 O ATOM 1004 CB CYS A 67 26.486 3.986 -15.774 1.00 40.42 C ATOM 1005 SG CYS A 67 24.690 3.928 -15.975 1.00 60.20 S ATOM 0 H CYS A 67 26.369 1.592 -15.203 1.00 20.05 H new ATOM 0 HA CYS A 67 26.900 2.947 -17.608 1.00 74.14 H new ATOM 0 HB2 CYS A 67 26.726 3.870 -14.717 1.00 40.42 H new ATOM 0 HB3 CYS A 67 26.843 4.971 -16.076 1.00 40.42 H new ATOM 0 HG CYS A 67 24.210 2.925 -15.301 1.00 60.20 H new ATOM 1011 N GLN A 68 29.384 2.857 -15.443 1.00 32.02 N ATOM 1012 CA GLN A 68 30.816 3.083 -15.292 1.00 65.24 C ATOM 1013 C GLN A 68 31.607 2.258 -16.303 1.00 34.33 C ATOM 1014 O GLN A 68 32.594 2.729 -16.867 1.00 31.54 O ATOM 1015 CB GLN A 68 31.263 2.735 -13.871 1.00 73.53 C ATOM 1016 CG GLN A 68 30.567 3.555 -12.797 1.00 45.10 C ATOM 1017 CD GLN A 68 31.426 4.695 -12.286 1.00 44.12 C ATOM 1018 OE1 GLN A 68 32.630 4.536 -12.079 1.00 12.40 O ATOM 1019 NE2 GLN A 68 30.811 5.854 -12.080 1.00 64.21 N ATOM 0 H GLN A 68 28.940 2.412 -14.640 1.00 32.02 H new ATOM 0 HA GLN A 68 31.013 4.139 -15.478 1.00 65.24 H new ATOM 0 HB2 GLN A 68 31.074 1.677 -13.688 1.00 73.53 H new ATOM 0 HB3 GLN A 68 32.340 2.885 -13.791 1.00 73.53 H new ATOM 0 HG2 GLN A 68 29.637 3.957 -13.198 1.00 45.10 H new ATOM 0 HG3 GLN A 68 30.300 2.904 -11.964 1.00 45.10 H new ATOM 0 HE21 GLN A 68 29.812 5.941 -12.265 1.00 64.21 H new ATOM 0 HE22 GLN A 68 31.338 6.657 -11.737 1.00 64.21 H new ATOM 1028 N ALA A 69 31.165 1.024 -16.526 1.00 45.12 N ATOM 1029 CA ALA A 69 31.831 0.134 -17.470 1.00 15.23 C ATOM 1030 C ALA A 69 31.695 0.649 -18.899 1.00 34.42 C ATOM 1031 O ALA A 69 32.633 0.563 -19.691 1.00 40.53 O ATOM 1032 CB ALA A 69 31.263 -1.273 -17.357 1.00 65.22 C ATOM 0 H ALA A 69 30.350 0.618 -16.066 1.00 45.12 H new ATOM 0 HA ALA A 69 32.892 0.107 -17.221 1.00 15.23 H new ATOM 0 HB1 ALA A 69 31.769 -1.928 -18.067 1.00 65.22 H new ATOM 0 HB2 ALA A 69 31.417 -1.647 -16.345 1.00 65.22 H new ATOM 0 HB3 ALA A 69 30.196 -1.253 -17.578 1.00 65.22 H new ATOM 1038 N TYR A 70 30.522 1.181 -19.222 1.00 15.44 N ATOM 1039 CA TYR A 70 30.262 1.707 -20.557 1.00 21.22 C ATOM 1040 C TYR A 70 31.219 2.848 -20.888 1.00 54.24 C ATOM 1041 O TYR A 70 31.394 3.208 -22.053 1.00 35.23 O ATOM 1042 CB TYR A 70 28.815 2.191 -20.665 1.00 3.22 C ATOM 1043 CG TYR A 70 27.793 1.096 -20.460 1.00 1.14 C ATOM 1044 CD1 TYR A 70 28.049 -0.206 -20.870 1.00 22.33 C ATOM 1045 CD2 TYR A 70 26.571 1.364 -19.854 1.00 43.15 C ATOM 1046 CE1 TYR A 70 27.118 -1.210 -20.685 1.00 12.41 C ATOM 1047 CE2 TYR A 70 25.634 0.367 -19.664 1.00 65.32 C ATOM 1048 CZ TYR A 70 25.912 -0.918 -20.081 1.00 62.35 C ATOM 1049 OH TYR A 70 24.982 -1.915 -19.894 1.00 63.22 O ATOM 0 H TYR A 70 29.735 1.260 -18.577 1.00 15.44 H new ATOM 0 HA TYR A 70 30.422 0.903 -21.275 1.00 21.22 H new ATOM 0 HB2 TYR A 70 28.647 2.976 -19.927 1.00 3.22 H new ATOM 0 HB3 TYR A 70 28.663 2.639 -21.647 1.00 3.22 H new ATOM 0 HD1 TYR A 70 28.992 -0.438 -21.342 1.00 22.33 H new ATOM 0 HD2 TYR A 70 26.350 2.369 -19.526 1.00 43.15 H new ATOM 0 HE1 TYR A 70 27.333 -2.217 -21.011 1.00 12.41 H new ATOM 0 HE2 TYR A 70 24.689 0.592 -19.192 1.00 65.32 H new ATOM 0 HH TYR A 70 25.291 -2.523 -19.191 1.00 63.22 H new ATOM 1059 N ARG A 71 31.836 3.413 -19.856 1.00 14.32 N ATOM 1060 CA ARG A 71 32.774 4.514 -20.036 1.00 2.21 C ATOM 1061 C ARG A 71 34.141 3.997 -20.475 1.00 51.22 C ATOM 1062 O ARG A 71 35.172 4.597 -20.168 1.00 15.11 O ATOM 1063 CB ARG A 71 32.912 5.312 -18.738 1.00 40.41 C ATOM 1064 CG ARG A 71 33.076 6.807 -18.957 1.00 42.51 C ATOM 1065 CD ARG A 71 31.740 7.531 -18.887 1.00 64.33 C ATOM 1066 NE ARG A 71 31.476 8.065 -17.554 1.00 44.31 N ATOM 1067 CZ ARG A 71 30.533 8.965 -17.296 1.00 64.35 C ATOM 1068 NH1 ARG A 71 29.769 9.427 -18.276 1.00 14.33 N ATOM 1069 NH2 ARG A 71 30.354 9.403 -16.057 1.00 33.11 N ATOM 0 H ARG A 71 31.703 3.126 -18.886 1.00 14.32 H new ATOM 0 HA ARG A 71 32.383 5.167 -20.816 1.00 2.21 H new ATOM 0 HB2 ARG A 71 32.032 5.138 -18.119 1.00 40.41 H new ATOM 0 HB3 ARG A 71 33.771 4.938 -18.181 1.00 40.41 H new ATOM 0 HG2 ARG A 71 33.751 7.214 -18.204 1.00 42.51 H new ATOM 0 HG3 ARG A 71 33.537 6.985 -19.929 1.00 42.51 H new ATOM 0 HD2 ARG A 71 31.730 8.345 -19.612 1.00 64.33 H new ATOM 0 HD3 ARG A 71 30.941 6.845 -19.167 1.00 64.33 H new ATOM 0 HE ARG A 71 32.047 7.729 -16.778 1.00 44.31 H new ATOM 0 HH11 ARG A 71 29.905 9.092 -19.230 1.00 14.33 H new ATOM 0 HH12 ARG A 71 29.046 10.118 -18.076 1.00 14.33 H new ATOM 0 HH21 ARG A 71 30.940 9.049 -15.301 1.00 33.11 H new ATOM 0 HH22 ARG A 71 29.630 10.094 -15.860 1.00 33.11 H new ATOM 1083 N HIS A 72 34.142 2.880 -21.195 1.00 73.14 N ATOM 1084 CA HIS A 72 35.382 2.282 -21.677 1.00 72.22 C ATOM 1085 C HIS A 72 36.245 1.809 -20.512 1.00 23.52 C ATOM 1086 O HIS A 72 37.464 1.699 -20.635 1.00 5.13 O ATOM 1087 CB HIS A 72 36.160 3.285 -22.529 1.00 14.41 C ATOM 1088 CG HIS A 72 37.245 2.660 -23.350 1.00 2.14 C ATOM 1089 ND1 HIS A 72 37.141 1.400 -23.900 1.00 44.22 N ATOM 1090 CD2 HIS A 72 38.461 3.129 -23.714 1.00 5.22 C ATOM 1091 CE1 HIS A 72 38.248 1.121 -24.566 1.00 74.41 C ATOM 1092 NE2 HIS A 72 39.065 2.154 -24.469 1.00 32.21 N ATOM 0 H HIS A 72 33.298 2.371 -21.458 1.00 73.14 H new ATOM 0 HA HIS A 72 35.125 1.418 -22.291 1.00 72.22 H new ATOM 0 HB2 HIS A 72 35.466 3.801 -23.192 1.00 14.41 H new ATOM 0 HB3 HIS A 72 36.599 4.040 -21.877 1.00 14.41 H new ATOM 0 HD2 HIS A 72 38.879 4.091 -23.458 1.00 5.22 H new ATOM 0 HE1 HIS A 72 38.450 0.204 -25.099 1.00 74.41 H new ATOM 0 HE2 HIS A 72 39.993 2.217 -24.887 1.00 32.21 H new ATOM 1100 N ASN A 73 35.604 1.530 -19.381 1.00 42.23 N ATOM 1101 CA ASN A 73 36.314 1.070 -18.193 1.00 42.04 C ATOM 1102 C ASN A 73 37.031 -0.249 -18.465 1.00 34.43 C ATOM 1103 O ASN A 73 38.146 -0.469 -17.993 1.00 71.53 O ATOM 1104 CB ASN A 73 35.341 0.904 -17.024 1.00 61.05 C ATOM 1105 CG ASN A 73 35.880 1.493 -15.735 1.00 63.41 C ATOM 1106 OD1 ASN A 73 36.451 2.583 -15.729 1.00 2.33 O ATOM 1107 ND2 ASN A 73 35.701 0.771 -14.635 1.00 22.20 N ATOM 0 H ASN A 73 34.594 1.615 -19.263 1.00 42.23 H new ATOM 0 HA ASN A 73 37.060 1.821 -17.932 1.00 42.04 H new ATOM 0 HB2 ASN A 73 34.394 1.384 -17.272 1.00 61.05 H new ATOM 0 HB3 ASN A 73 35.132 -0.156 -16.877 1.00 61.05 H new ATOM 0 HD21 ASN A 73 36.043 1.115 -13.738 1.00 22.20 H new ATOM 0 HD22 ASN A 73 35.222 -0.128 -14.687 1.00 22.20 H new TER 1114 ASN A 73