USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=8 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 108:sc= 0.872 USER MOD Set 1.2: A 67 CYS SG : rot 76:sc= 1.27 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= -0.0177 K(o=-0.018,f=-1.5!) USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= 0.299 (180deg=0.194) USER MOD Single : A 16 THR OG1 : rot 79:sc= 1.08 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.04 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -50:sc= 0.293 USER MOD Single : A 43 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.036) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 3 3.989 4.753 -3.039 1.00 62.41 N ATOM 26 CA SER A 3 5.207 5.425 -3.476 1.00 51.25 C ATOM 27 C SER A 3 6.155 4.443 -4.159 1.00 14.42 C ATOM 28 O SER A 3 6.813 4.782 -5.142 1.00 63.52 O ATOM 29 CB SER A 3 5.907 6.083 -2.286 1.00 11.50 C ATOM 30 OG SER A 3 5.200 7.232 -1.850 1.00 30.41 O ATOM 0 HA SER A 3 4.929 6.195 -4.196 1.00 51.25 H new ATOM 0 HB2 SER A 3 5.987 5.369 -1.467 1.00 11.50 H new ATOM 0 HB3 SER A 3 6.923 6.362 -2.566 1.00 11.50 H new ATOM 0 HG SER A 3 5.667 7.633 -1.087 1.00 30.41 H new ATOM 36 N TRP A 4 6.217 3.227 -3.630 1.00 3.05 N ATOM 37 CA TRP A 4 7.084 2.195 -4.187 1.00 23.12 C ATOM 38 C TRP A 4 6.845 2.033 -5.684 1.00 32.12 C ATOM 39 O TRP A 4 7.790 1.937 -6.466 1.00 0.11 O ATOM 40 CB TRP A 4 6.850 0.863 -3.473 1.00 75.30 C ATOM 41 CG TRP A 4 7.537 -0.294 -4.133 1.00 73.13 C ATOM 42 CD1 TRP A 4 7.091 -1.006 -5.211 1.00 5.53 C ATOM 43 CD2 TRP A 4 8.791 -0.874 -3.758 1.00 34.05 C ATOM 44 NE1 TRP A 4 7.993 -1.993 -5.527 1.00 42.23 N ATOM 45 CE2 TRP A 4 9.045 -1.933 -4.651 1.00 54.34 C ATOM 46 CE3 TRP A 4 9.725 -0.601 -2.755 1.00 15.15 C ATOM 47 CZ2 TRP A 4 10.192 -2.717 -4.569 1.00 43.45 C ATOM 48 CZ3 TRP A 4 10.863 -1.380 -2.674 1.00 50.04 C ATOM 49 CH2 TRP A 4 11.090 -2.427 -3.578 1.00 14.03 C ATOM 0 H TRP A 4 5.678 2.931 -2.816 1.00 3.05 H new ATOM 0 HA TRP A 4 8.118 2.503 -4.035 1.00 23.12 H new ATOM 0 HB2 TRP A 4 7.199 0.945 -2.444 1.00 75.30 H new ATOM 0 HB3 TRP A 4 5.779 0.665 -3.431 1.00 75.30 H new ATOM 0 HD1 TRP A 4 6.166 -0.820 -5.737 1.00 5.53 H new ATOM 0 HE1 TRP A 4 7.895 -2.662 -6.290 1.00 42.23 H new ATOM 0 HE3 TRP A 4 9.560 0.205 -2.055 1.00 15.15 H new ATOM 0 HZ2 TRP A 4 10.367 -3.526 -5.263 1.00 43.45 H new ATOM 0 HZ3 TRP A 4 11.590 -1.179 -1.901 1.00 50.04 H new ATOM 0 HH2 TRP A 4 11.991 -3.016 -3.491 1.00 14.03 H new ATOM 60 N ALA A 5 5.575 2.003 -6.076 1.00 3.11 N ATOM 61 CA ALA A 5 5.213 1.855 -7.480 1.00 33.01 C ATOM 62 C ALA A 5 5.942 2.876 -8.346 1.00 43.21 C ATOM 63 O ALA A 5 6.548 2.525 -9.358 1.00 21.22 O ATOM 64 CB ALA A 5 3.707 1.992 -7.654 1.00 4.15 C ATOM 0 H ALA A 5 4.780 2.079 -5.441 1.00 3.11 H new ATOM 0 HA ALA A 5 5.517 0.860 -7.805 1.00 33.01 H new ATOM 0 HB1 ALA A 5 3.451 1.879 -8.707 1.00 4.15 H new ATOM 0 HB2 ALA A 5 3.202 1.220 -7.073 1.00 4.15 H new ATOM 0 HB3 ALA A 5 3.388 2.975 -7.306 1.00 4.15 H new ATOM 70 N GLU A 6 5.879 4.141 -7.942 1.00 10.10 N ATOM 71 CA GLU A 6 6.533 5.213 -8.684 1.00 21.25 C ATOM 72 C GLU A 6 8.028 4.942 -8.826 1.00 1.22 C ATOM 73 O GLU A 6 8.585 5.030 -9.920 1.00 71.04 O ATOM 74 CB GLU A 6 6.311 6.556 -7.985 1.00 31.22 C ATOM 75 CG GLU A 6 6.190 7.728 -8.944 1.00 14.12 C ATOM 76 CD GLU A 6 6.404 9.065 -8.261 1.00 60.01 C ATOM 77 OE1 GLU A 6 6.119 9.166 -7.050 1.00 35.33 O ATOM 78 OE2 GLU A 6 6.858 10.011 -8.939 1.00 71.41 O ATOM 0 H GLU A 6 5.382 4.448 -7.106 1.00 10.10 H new ATOM 0 HA GLU A 6 6.092 5.253 -9.680 1.00 21.25 H new ATOM 0 HB2 GLU A 6 5.406 6.496 -7.381 1.00 31.22 H new ATOM 0 HB3 GLU A 6 7.139 6.741 -7.301 1.00 31.22 H new ATOM 0 HG2 GLU A 6 6.919 7.613 -9.746 1.00 14.12 H new ATOM 0 HG3 GLU A 6 5.203 7.714 -9.406 1.00 14.12 H new ATOM 85 N PHE A 7 8.673 4.613 -7.711 1.00 55.31 N ATOM 86 CA PHE A 7 10.103 4.331 -7.710 1.00 43.30 C ATOM 87 C PHE A 7 10.429 3.168 -8.642 1.00 31.31 C ATOM 88 O PHE A 7 11.440 3.184 -9.345 1.00 33.12 O ATOM 89 CB PHE A 7 10.581 4.012 -6.292 1.00 13.53 C ATOM 90 CG PHE A 7 11.398 5.110 -5.673 1.00 43.35 C ATOM 91 CD1 PHE A 7 10.821 6.331 -5.363 1.00 43.22 C ATOM 92 CD2 PHE A 7 12.744 4.922 -5.403 1.00 61.41 C ATOM 93 CE1 PHE A 7 11.571 7.343 -4.794 1.00 12.51 C ATOM 94 CE2 PHE A 7 13.498 5.930 -4.834 1.00 24.15 C ATOM 95 CZ PHE A 7 12.911 7.143 -4.530 1.00 24.33 C ATOM 0 H PHE A 7 8.227 4.535 -6.797 1.00 55.31 H new ATOM 0 HA PHE A 7 10.623 5.219 -8.070 1.00 43.30 H new ATOM 0 HB2 PHE A 7 9.714 3.815 -5.661 1.00 13.53 H new ATOM 0 HB3 PHE A 7 11.174 3.097 -6.314 1.00 13.53 H new ATOM 0 HD1 PHE A 7 9.773 6.494 -5.568 1.00 43.22 H new ATOM 0 HD2 PHE A 7 13.209 3.977 -5.640 1.00 61.41 H new ATOM 0 HE1 PHE A 7 11.109 8.290 -4.556 1.00 12.51 H new ATOM 0 HE2 PHE A 7 14.546 5.770 -4.627 1.00 24.15 H new ATOM 0 HZ PHE A 7 13.499 7.933 -4.087 1.00 24.33 H new ATOM 105 N LYS A 8 9.565 2.158 -8.642 1.00 24.13 N ATOM 106 CA LYS A 8 9.758 0.985 -9.486 1.00 45.35 C ATOM 107 C LYS A 8 9.675 1.359 -10.963 1.00 72.31 C ATOM 108 O LYS A 8 10.493 0.919 -11.770 1.00 40.13 O ATOM 109 CB LYS A 8 8.712 -0.082 -9.159 1.00 71.34 C ATOM 110 CG LYS A 8 9.208 -1.145 -8.194 1.00 11.54 C ATOM 111 CD LYS A 8 10.361 -1.940 -8.783 1.00 52.41 C ATOM 112 CE LYS A 8 9.927 -3.344 -9.175 1.00 53.43 C ATOM 113 NZ LYS A 8 11.091 -4.254 -9.357 1.00 2.14 N ATOM 0 H LYS A 8 8.724 2.129 -8.066 1.00 24.13 H new ATOM 0 HA LYS A 8 10.751 0.583 -9.286 1.00 45.35 H new ATOM 0 HB2 LYS A 8 7.833 0.402 -8.733 1.00 71.34 H new ATOM 0 HB3 LYS A 8 8.394 -0.563 -10.084 1.00 71.34 H new ATOM 0 HG2 LYS A 8 9.528 -0.673 -7.265 1.00 11.54 H new ATOM 0 HG3 LYS A 8 8.390 -1.820 -7.944 1.00 11.54 H new ATOM 0 HD2 LYS A 8 10.752 -1.421 -9.658 1.00 52.41 H new ATOM 0 HD3 LYS A 8 11.172 -1.998 -8.058 1.00 52.41 H new ATOM 0 HE2 LYS A 8 9.267 -3.748 -8.407 1.00 53.43 H new ATOM 0 HE3 LYS A 8 9.351 -3.301 -10.100 1.00 53.43 H new ATOM 0 HZ1 LYS A 8 10.753 -5.201 -9.624 1.00 2.14 H new ATOM 0 HZ2 LYS A 8 11.708 -3.883 -10.107 1.00 2.14 H new ATOM 0 HZ3 LYS A 8 11.626 -4.315 -8.467 1.00 2.14 H new ATOM 127 N GLN A 9 8.682 2.173 -11.308 1.00 22.34 N ATOM 128 CA GLN A 9 8.494 2.605 -12.687 1.00 55.13 C ATOM 129 C GLN A 9 9.706 3.386 -13.184 1.00 20.23 C ATOM 130 O GLN A 9 10.355 2.993 -14.154 1.00 13.15 O ATOM 131 CB GLN A 9 7.234 3.465 -12.807 1.00 4.43 C ATOM 132 CG GLN A 9 6.278 2.996 -13.891 1.00 53.51 C ATOM 133 CD GLN A 9 4.901 3.618 -13.763 1.00 72.41 C ATOM 134 OE1 GLN A 9 4.585 4.254 -12.757 1.00 44.44 O ATOM 135 NE2 GLN A 9 4.072 3.436 -14.784 1.00 73.42 N ATOM 0 H GLN A 9 7.996 2.546 -10.652 1.00 22.34 H new ATOM 0 HA GLN A 9 8.379 1.716 -13.307 1.00 55.13 H new ATOM 0 HB2 GLN A 9 6.712 3.466 -11.850 1.00 4.43 H new ATOM 0 HB3 GLN A 9 7.526 4.495 -13.012 1.00 4.43 H new ATOM 0 HG2 GLN A 9 6.694 3.241 -14.868 1.00 53.51 H new ATOM 0 HG3 GLN A 9 6.188 1.911 -13.846 1.00 53.51 H new ATOM 0 HE21 GLN A 9 4.375 2.902 -15.598 1.00 73.42 H new ATOM 0 HE22 GLN A 9 3.132 3.830 -14.754 1.00 73.42 H new ATOM 144 N ARG A 10 10.006 4.493 -12.513 1.00 11.13 N ATOM 145 CA ARG A 10 11.140 5.330 -12.887 1.00 34.21 C ATOM 146 C ARG A 10 12.414 4.498 -13.003 1.00 52.54 C ATOM 147 O ARG A 10 13.159 4.618 -13.977 1.00 21.12 O ATOM 148 CB ARG A 10 11.338 6.446 -11.860 1.00 21.24 C ATOM 149 CG ARG A 10 12.531 7.340 -12.155 1.00 3.04 C ATOM 150 CD ARG A 10 13.800 6.809 -11.505 1.00 35.00 C ATOM 151 NE ARG A 10 14.627 7.883 -10.961 1.00 72.41 N ATOM 152 CZ ARG A 10 15.914 7.740 -10.665 1.00 11.52 C ATOM 153 NH1 ARG A 10 16.518 6.576 -10.859 1.00 53.23 N ATOM 154 NH2 ARG A 10 16.600 8.765 -10.173 1.00 72.54 N ATOM 0 H ARG A 10 9.480 4.831 -11.707 1.00 11.13 H new ATOM 0 HA ARG A 10 10.927 5.775 -13.859 1.00 34.21 H new ATOM 0 HB2 ARG A 10 10.437 7.058 -11.822 1.00 21.24 H new ATOM 0 HB3 ARG A 10 11.463 6.002 -10.873 1.00 21.24 H new ATOM 0 HG2 ARG A 10 12.676 7.412 -13.233 1.00 3.04 H new ATOM 0 HG3 ARG A 10 12.330 8.348 -11.793 1.00 3.04 H new ATOM 0 HD2 ARG A 10 13.536 6.115 -10.707 1.00 35.00 H new ATOM 0 HD3 ARG A 10 14.375 6.245 -12.240 1.00 35.00 H new ATOM 0 HE ARG A 10 14.193 8.792 -10.800 1.00 72.41 H new ATOM 0 HH11 ARG A 10 15.994 5.786 -11.237 1.00 53.23 H new ATOM 0 HH12 ARG A 10 17.506 6.470 -10.631 1.00 53.23 H new ATOM 0 HH21 ARG A 10 16.139 9.662 -10.022 1.00 72.54 H new ATOM 0 HH22 ARG A 10 17.588 8.655 -9.946 1.00 72.54 H new ATOM 168 N LEU A 11 12.658 3.657 -12.005 1.00 21.00 N ATOM 169 CA LEU A 11 13.843 2.805 -11.995 1.00 13.55 C ATOM 170 C LEU A 11 13.898 1.935 -13.246 1.00 23.34 C ATOM 171 O LEU A 11 14.948 1.798 -13.873 1.00 3.43 O ATOM 172 CB LEU A 11 13.850 1.924 -10.745 1.00 31.53 C ATOM 173 CG LEU A 11 14.569 2.497 -9.523 1.00 34.22 C ATOM 174 CD1 LEU A 11 13.883 2.049 -8.241 1.00 53.44 C ATOM 175 CD2 LEU A 11 16.032 2.080 -9.520 1.00 60.54 C ATOM 0 H LEU A 11 12.052 3.546 -11.192 1.00 21.00 H new ATOM 0 HA LEU A 11 14.723 3.448 -11.984 1.00 13.55 H new ATOM 0 HB2 LEU A 11 12.817 1.713 -10.468 1.00 31.53 H new ATOM 0 HB3 LEU A 11 14.313 0.971 -11.000 1.00 31.53 H new ATOM 0 HG LEU A 11 14.522 3.585 -9.575 1.00 34.22 H new ATOM 0 HD11 LEU A 11 14.409 2.466 -7.382 1.00 53.44 H new ATOM 0 HD12 LEU A 11 12.851 2.398 -8.240 1.00 53.44 H new ATOM 0 HD13 LEU A 11 13.898 0.961 -8.182 1.00 53.44 H new ATOM 0 HD21 LEU A 11 16.527 2.497 -8.643 1.00 60.54 H new ATOM 0 HD22 LEU A 11 16.100 0.992 -9.492 1.00 60.54 H new ATOM 0 HD23 LEU A 11 16.518 2.451 -10.422 1.00 60.54 H new ATOM 187 N ALA A 12 12.760 1.349 -13.604 1.00 4.12 N ATOM 188 CA ALA A 12 12.679 0.495 -14.782 1.00 54.23 C ATOM 189 C ALA A 12 13.095 1.252 -16.039 1.00 3.23 C ATOM 190 O ALA A 12 13.859 0.742 -16.858 1.00 31.33 O ATOM 191 CB ALA A 12 11.269 -0.055 -14.939 1.00 33.15 C ATOM 0 H ALA A 12 11.882 1.450 -13.095 1.00 4.12 H new ATOM 0 HA ALA A 12 13.370 -0.337 -14.645 1.00 54.23 H new ATOM 0 HB1 ALA A 12 11.223 -0.691 -15.823 1.00 33.15 H new ATOM 0 HB2 ALA A 12 11.006 -0.639 -14.057 1.00 33.15 H new ATOM 0 HB3 ALA A 12 10.566 0.771 -15.050 1.00 33.15 H new ATOM 197 N ALA A 13 12.588 2.472 -16.185 1.00 21.14 N ATOM 198 CA ALA A 13 12.909 3.299 -17.341 1.00 0.42 C ATOM 199 C ALA A 13 14.404 3.592 -17.409 1.00 21.52 C ATOM 200 O ALA A 13 15.008 3.539 -18.481 1.00 10.33 O ATOM 201 CB ALA A 13 12.117 4.598 -17.297 1.00 21.23 C ATOM 0 H ALA A 13 11.953 2.909 -15.517 1.00 21.14 H new ATOM 0 HA ALA A 13 12.632 2.747 -18.239 1.00 0.42 H new ATOM 0 HB1 ALA A 13 12.367 5.206 -18.167 1.00 21.23 H new ATOM 0 HB2 ALA A 13 11.050 4.374 -17.305 1.00 21.23 H new ATOM 0 HB3 ALA A 13 12.366 5.145 -16.388 1.00 21.23 H new ATOM 207 N ILE A 14 14.995 3.899 -16.259 1.00 50.43 N ATOM 208 CA ILE A 14 16.420 4.199 -16.189 1.00 54.45 C ATOM 209 C ILE A 14 17.256 2.999 -16.621 1.00 11.43 C ATOM 210 O ILE A 14 18.246 3.144 -17.338 1.00 71.32 O ATOM 211 CB ILE A 14 16.838 4.618 -14.768 1.00 12.04 C ATOM 212 CG1 ILE A 14 16.077 5.874 -14.337 1.00 72.25 C ATOM 213 CG2 ILE A 14 18.339 4.855 -14.705 1.00 64.42 C ATOM 214 CD1 ILE A 14 16.488 7.118 -15.093 1.00 60.01 C ATOM 0 H ILE A 14 14.509 3.947 -15.363 1.00 50.43 H new ATOM 0 HA ILE A 14 16.602 5.029 -16.871 1.00 54.45 H new ATOM 0 HB ILE A 14 16.588 3.810 -14.080 1.00 12.04 H new ATOM 0 HG12 ILE A 14 15.009 5.709 -14.479 1.00 72.25 H new ATOM 0 HG13 ILE A 14 16.236 6.037 -13.271 1.00 72.25 H new ATOM 0 HG21 ILE A 14 18.619 5.151 -13.694 1.00 64.42 H new ATOM 0 HG22 ILE A 14 18.864 3.938 -14.973 1.00 64.42 H new ATOM 0 HG23 ILE A 14 18.612 5.647 -15.403 1.00 64.42 H new ATOM 0 HD11 ILE A 14 15.908 7.969 -14.736 1.00 60.01 H new ATOM 0 HD12 ILE A 14 17.549 7.308 -14.931 1.00 60.01 H new ATOM 0 HD13 ILE A 14 16.303 6.974 -16.158 1.00 60.01 H new ATOM 226 N LYS A 15 16.850 1.813 -16.180 1.00 2.43 N ATOM 227 CA LYS A 15 17.559 0.586 -16.522 1.00 0.04 C ATOM 228 C LYS A 15 17.471 0.306 -18.018 1.00 73.43 C ATOM 229 O LYS A 15 18.457 -0.079 -18.648 1.00 53.22 O ATOM 230 CB LYS A 15 16.984 -0.595 -15.736 1.00 4.11 C ATOM 231 CG LYS A 15 18.029 -1.370 -14.952 1.00 2.23 C ATOM 232 CD LYS A 15 17.855 -2.870 -15.122 1.00 44.33 C ATOM 233 CE LYS A 15 16.821 -3.424 -14.155 1.00 74.44 C ATOM 234 NZ LYS A 15 17.296 -4.668 -13.488 1.00 14.22 N ATOM 0 H LYS A 15 16.033 1.676 -15.585 1.00 2.43 H new ATOM 0 HA LYS A 15 18.608 0.715 -16.256 1.00 0.04 H new ATOM 0 HB2 LYS A 15 16.224 -0.227 -15.047 1.00 4.11 H new ATOM 0 HB3 LYS A 15 16.485 -1.273 -16.428 1.00 4.11 H new ATOM 0 HG2 LYS A 15 19.025 -1.078 -15.285 1.00 2.23 H new ATOM 0 HG3 LYS A 15 17.958 -1.112 -13.895 1.00 2.23 H new ATOM 0 HD2 LYS A 15 17.551 -3.088 -16.146 1.00 44.33 H new ATOM 0 HD3 LYS A 15 18.810 -3.369 -14.960 1.00 44.33 H new ATOM 0 HE2 LYS A 15 16.590 -2.672 -13.400 1.00 74.44 H new ATOM 0 HE3 LYS A 15 15.895 -3.631 -14.692 1.00 74.44 H new ATOM 0 HZ1 LYS A 15 16.713 -4.855 -12.647 1.00 14.22 H new ATOM 0 HZ2 LYS A 15 17.218 -5.468 -14.148 1.00 14.22 H new ATOM 0 HZ3 LYS A 15 18.289 -4.551 -13.202 1.00 14.22 H new ATOM 248 N THR A 16 16.283 0.502 -18.584 1.00 25.33 N ATOM 249 CA THR A 16 16.067 0.270 -20.006 1.00 52.42 C ATOM 250 C THR A 16 16.958 1.173 -20.852 1.00 74.00 C ATOM 251 O THR A 16 17.725 0.696 -21.688 1.00 3.10 O ATOM 252 CB THR A 16 14.596 0.509 -20.396 1.00 72.44 C ATOM 253 OG1 THR A 16 13.729 -0.061 -19.409 1.00 53.51 O ATOM 254 CG2 THR A 16 14.292 -0.100 -21.757 1.00 54.31 C ATOM 0 H THR A 16 15.457 0.821 -18.078 1.00 25.33 H new ATOM 0 HA THR A 16 16.322 -0.772 -20.199 1.00 52.42 H new ATOM 0 HB THR A 16 14.427 1.584 -20.450 1.00 72.44 H new ATOM 0 HG1 THR A 16 13.676 0.538 -18.635 1.00 53.51 H new ATOM 0 HG21 THR A 16 13.248 0.081 -22.012 1.00 54.31 H new ATOM 0 HG22 THR A 16 14.934 0.356 -22.511 1.00 54.31 H new ATOM 0 HG23 THR A 16 14.477 -1.174 -21.725 1.00 54.31 H new ATOM 262 N ARG A 17 16.851 2.479 -20.629 1.00 72.21 N ATOM 263 CA ARG A 17 17.647 3.448 -21.372 1.00 1.32 C ATOM 264 C ARG A 17 19.136 3.249 -21.103 1.00 12.00 C ATOM 265 O ARG A 17 19.972 3.493 -21.974 1.00 0.44 O ATOM 266 CB ARG A 17 17.236 4.873 -20.995 1.00 61.04 C ATOM 267 CG ARG A 17 16.344 5.542 -22.028 1.00 14.22 C ATOM 268 CD ARG A 17 14.874 5.418 -21.658 1.00 11.55 C ATOM 269 NE ARG A 17 14.101 6.579 -22.092 1.00 35.23 N ATOM 270 CZ ARG A 17 13.814 6.837 -23.363 1.00 3.52 C ATOM 271 NH1 ARG A 17 14.235 6.022 -24.320 1.00 21.13 N ATOM 272 NH2 ARG A 17 13.105 7.914 -23.679 1.00 24.32 N ATOM 0 H ARG A 17 16.221 2.890 -19.940 1.00 72.21 H new ATOM 0 HA ARG A 17 17.463 3.293 -22.435 1.00 1.32 H new ATOM 0 HB2 ARG A 17 16.716 4.851 -20.037 1.00 61.04 H new ATOM 0 HB3 ARG A 17 18.133 5.476 -20.856 1.00 61.04 H new ATOM 0 HG2 ARG A 17 16.611 6.595 -22.114 1.00 14.22 H new ATOM 0 HG3 ARG A 17 16.514 5.089 -23.005 1.00 14.22 H new ATOM 0 HD2 ARG A 17 14.461 4.517 -22.111 1.00 11.55 H new ATOM 0 HD3 ARG A 17 14.780 5.303 -20.578 1.00 11.55 H new ATOM 0 HE ARG A 17 13.763 7.227 -21.380 1.00 35.23 H new ATOM 0 HH11 ARG A 17 14.781 5.194 -24.081 1.00 21.13 H new ATOM 0 HH12 ARG A 17 14.013 6.223 -25.295 1.00 21.13 H new ATOM 0 HH21 ARG A 17 12.780 8.544 -22.946 1.00 24.32 H new ATOM 0 HH22 ARG A 17 12.885 8.111 -24.655 1.00 24.32 H new ATOM 286 N CYS A 18 19.459 2.805 -19.894 1.00 11.05 N ATOM 287 CA CYS A 18 20.847 2.574 -19.509 1.00 40.23 C ATOM 288 C CYS A 18 21.424 1.373 -20.251 1.00 50.02 C ATOM 289 O CYS A 18 22.597 1.367 -20.624 1.00 54.44 O ATOM 290 CB CYS A 18 20.950 2.354 -17.999 1.00 42.24 C ATOM 291 SG CYS A 18 22.524 1.645 -17.463 1.00 4.04 S ATOM 0 H CYS A 18 18.779 2.598 -19.163 1.00 11.05 H new ATOM 0 HA CYS A 18 21.425 3.458 -19.780 1.00 40.23 H new ATOM 0 HB2 CYS A 18 20.802 3.308 -17.493 1.00 42.24 H new ATOM 0 HB3 CYS A 18 20.141 1.696 -17.682 1.00 42.24 H new ATOM 0 HG CYS A 18 23.221 2.552 -16.845 1.00 4.04 H new ATOM 297 N GLN A 19 20.592 0.357 -20.460 1.00 2.54 N ATOM 298 CA GLN A 19 21.021 -0.850 -21.155 1.00 22.33 C ATOM 299 C GLN A 19 21.169 -0.594 -22.651 1.00 12.01 C ATOM 300 O GLN A 19 22.140 -1.026 -23.272 1.00 14.14 O ATOM 301 CB GLN A 19 20.022 -1.984 -20.916 1.00 3.24 C ATOM 302 CG GLN A 19 19.933 -2.419 -19.462 1.00 30.41 C ATOM 303 CD GLN A 19 20.610 -3.752 -19.209 1.00 72.24 C ATOM 304 OE1 GLN A 19 21.831 -3.825 -19.074 1.00 25.33 O ATOM 305 NE2 GLN A 19 19.818 -4.816 -19.145 1.00 14.03 N ATOM 0 H GLN A 19 19.618 0.346 -20.158 1.00 2.54 H new ATOM 0 HA GLN A 19 21.993 -1.141 -20.757 1.00 22.33 H new ATOM 0 HB2 GLN A 19 19.035 -1.665 -21.252 1.00 3.24 H new ATOM 0 HB3 GLN A 19 20.305 -2.841 -21.527 1.00 3.24 H new ATOM 0 HG2 GLN A 19 20.391 -1.658 -18.830 1.00 30.41 H new ATOM 0 HG3 GLN A 19 18.885 -2.487 -19.171 1.00 30.41 H new ATOM 0 HE21 GLN A 19 18.810 -4.710 -19.263 1.00 14.03 H new ATOM 0 HE22 GLN A 19 20.217 -5.740 -18.978 1.00 14.03 H new ATOM 314 N ALA A 20 20.199 0.111 -23.224 1.00 10.21 N ATOM 315 CA ALA A 20 20.222 0.426 -24.647 1.00 0.42 C ATOM 316 C ALA A 20 21.237 1.524 -24.950 1.00 34.24 C ATOM 317 O ALA A 20 21.795 1.582 -26.046 1.00 55.33 O ATOM 318 CB ALA A 20 18.836 0.842 -25.118 1.00 22.41 C ATOM 0 H ALA A 20 19.387 0.475 -22.724 1.00 10.21 H new ATOM 0 HA ALA A 20 20.524 -0.471 -25.188 1.00 0.42 H new ATOM 0 HB1 ALA A 20 18.868 1.074 -26.182 1.00 22.41 H new ATOM 0 HB2 ALA A 20 18.133 0.027 -24.945 1.00 22.41 H new ATOM 0 HB3 ALA A 20 18.513 1.723 -24.564 1.00 22.41 H new ATOM 324 N LEU A 21 21.471 2.392 -23.972 1.00 41.21 N ATOM 325 CA LEU A 21 22.419 3.489 -24.134 1.00 51.34 C ATOM 326 C LEU A 21 22.039 4.366 -25.323 1.00 73.03 C ATOM 327 O LEU A 21 22.877 5.077 -25.877 1.00 33.53 O ATOM 328 CB LEU A 21 23.835 2.942 -24.322 1.00 1.33 C ATOM 329 CG LEU A 21 24.205 1.730 -23.466 1.00 2.42 C ATOM 330 CD1 LEU A 21 24.364 0.492 -24.334 1.00 54.02 C ATOM 331 CD2 LEU A 21 25.481 2.001 -22.682 1.00 30.13 C ATOM 0 H LEU A 21 21.018 2.358 -23.059 1.00 41.21 H new ATOM 0 HA LEU A 21 22.388 4.099 -23.231 1.00 51.34 H new ATOM 0 HB2 LEU A 21 23.963 2.674 -25.371 1.00 1.33 H new ATOM 0 HB3 LEU A 21 24.544 3.742 -24.109 1.00 1.33 H new ATOM 0 HG LEU A 21 23.397 1.550 -22.757 1.00 2.42 H new ATOM 0 HD11 LEU A 21 24.627 -0.360 -23.708 1.00 54.02 H new ATOM 0 HD12 LEU A 21 23.426 0.287 -24.850 1.00 54.02 H new ATOM 0 HD13 LEU A 21 25.153 0.661 -25.067 1.00 54.02 H new ATOM 0 HD21 LEU A 21 25.729 1.128 -22.078 1.00 30.13 H new ATOM 0 HD22 LEU A 21 26.297 2.207 -23.375 1.00 30.13 H new ATOM 0 HD23 LEU A 21 25.332 2.862 -22.031 1.00 30.13 H new ATOM 343 N GLY A 22 20.768 4.312 -25.710 1.00 34.23 N ATOM 344 CA GLY A 22 20.298 5.107 -26.829 1.00 40.11 C ATOM 345 C GLY A 22 19.991 6.538 -26.435 1.00 51.31 C ATOM 346 O GLY A 22 19.832 7.405 -27.293 1.00 52.33 O ATOM 0 H GLY A 22 20.055 3.731 -25.268 1.00 34.23 H new ATOM 0 HA2 GLY A 22 21.053 5.104 -27.615 1.00 40.11 H new ATOM 0 HA3 GLY A 22 19.402 4.648 -27.246 1.00 40.11 H new ATOM 393 N GLU A 27 23.676 12.037 -21.609 1.00 65.02 N ATOM 394 CA GLU A 27 22.554 11.585 -20.796 1.00 12.22 C ATOM 395 C GLU A 27 22.998 10.518 -19.799 1.00 43.34 C ATOM 396 O GLU A 27 22.482 10.442 -18.684 1.00 33.20 O ATOM 397 CB GLU A 27 21.439 11.033 -21.687 1.00 0.40 C ATOM 398 CG GLU A 27 20.355 12.049 -22.004 1.00 54.24 C ATOM 399 CD GLU A 27 19.676 12.586 -20.759 1.00 52.34 C ATOM 400 OE1 GLU A 27 18.880 11.841 -20.150 1.00 55.34 O ATOM 401 OE2 GLU A 27 19.940 13.751 -20.394 1.00 62.42 O ATOM 0 HA GLU A 27 22.174 12.442 -20.239 1.00 12.22 H new ATOM 0 HB2 GLU A 27 21.874 10.676 -22.620 1.00 0.40 H new ATOM 0 HB3 GLU A 27 20.986 10.172 -21.196 1.00 0.40 H new ATOM 0 HG2 GLU A 27 20.791 12.878 -22.562 1.00 54.24 H new ATOM 0 HG3 GLU A 27 19.608 11.588 -22.650 1.00 54.24 H new ATOM 408 N CYS A 28 23.958 9.697 -20.210 1.00 42.22 N ATOM 409 CA CYS A 28 24.472 8.633 -19.355 1.00 2.21 C ATOM 410 C CYS A 28 24.869 9.179 -17.987 1.00 71.01 C ATOM 411 O CYS A 28 24.555 8.585 -16.956 1.00 24.10 O ATOM 412 CB CYS A 28 25.674 7.955 -20.015 1.00 54.30 C ATOM 413 SG CYS A 28 25.356 7.360 -21.693 1.00 12.44 S ATOM 0 H CYS A 28 24.396 9.748 -21.130 1.00 42.22 H new ATOM 0 HA CYS A 28 23.680 7.897 -19.217 1.00 2.21 H new ATOM 0 HB2 CYS A 28 26.505 8.659 -20.042 1.00 54.30 H new ATOM 0 HB3 CYS A 28 25.989 7.114 -19.396 1.00 54.30 H new ATOM 0 HG CYS A 28 26.431 6.805 -22.168 1.00 12.44 H new ATOM 419 N ALA A 29 25.562 10.313 -17.987 1.00 12.14 N ATOM 420 CA ALA A 29 26.001 10.939 -16.746 1.00 4.22 C ATOM 421 C ALA A 29 24.824 11.188 -15.809 1.00 51.24 C ATOM 422 O ALA A 29 24.836 10.763 -14.655 1.00 22.13 O ATOM 423 CB ALA A 29 26.728 12.243 -17.041 1.00 62.22 C ATOM 0 H ALA A 29 25.831 10.817 -18.832 1.00 12.14 H new ATOM 0 HA ALA A 29 26.689 10.256 -16.248 1.00 4.22 H new ATOM 0 HB1 ALA A 29 27.050 12.700 -16.105 1.00 62.22 H new ATOM 0 HB2 ALA A 29 27.599 12.041 -17.665 1.00 62.22 H new ATOM 0 HB3 ALA A 29 26.057 12.924 -17.564 1.00 62.22 H new ATOM 429 N ALA A 30 23.808 11.880 -16.315 1.00 1.53 N ATOM 430 CA ALA A 30 22.622 12.185 -15.523 1.00 64.24 C ATOM 431 C ALA A 30 21.984 10.911 -14.979 1.00 52.43 C ATOM 432 O ALA A 30 21.433 10.903 -13.878 1.00 62.31 O ATOM 433 CB ALA A 30 21.618 12.967 -16.357 1.00 60.30 C ATOM 0 H ALA A 30 23.782 12.240 -17.269 1.00 1.53 H new ATOM 0 HA ALA A 30 22.928 12.798 -14.675 1.00 64.24 H new ATOM 0 HB1 ALA A 30 20.738 13.188 -15.754 1.00 60.30 H new ATOM 0 HB2 ALA A 30 22.072 13.900 -16.692 1.00 60.30 H new ATOM 0 HB3 ALA A 30 21.325 12.374 -17.223 1.00 60.30 H new ATOM 439 N PHE A 31 22.060 9.837 -15.758 1.00 3.30 N ATOM 440 CA PHE A 31 21.488 8.558 -15.354 1.00 50.25 C ATOM 441 C PHE A 31 22.203 8.006 -14.125 1.00 63.10 C ATOM 442 O PHE A 31 21.567 7.631 -13.141 1.00 21.21 O ATOM 443 CB PHE A 31 21.574 7.552 -16.504 1.00 20.43 C ATOM 444 CG PHE A 31 20.270 7.348 -17.222 1.00 4.55 C ATOM 445 CD1 PHE A 31 19.404 8.410 -17.426 1.00 0.22 C ATOM 446 CD2 PHE A 31 19.911 6.095 -17.692 1.00 2.55 C ATOM 447 CE1 PHE A 31 18.204 8.227 -18.086 1.00 72.23 C ATOM 448 CE2 PHE A 31 18.713 5.906 -18.353 1.00 54.11 C ATOM 449 CZ PHE A 31 17.857 6.973 -18.550 1.00 23.24 C ATOM 0 H PHE A 31 22.512 9.827 -16.672 1.00 3.30 H new ATOM 0 HA PHE A 31 20.441 8.720 -15.100 1.00 50.25 H new ATOM 0 HB2 PHE A 31 22.323 7.892 -17.219 1.00 20.43 H new ATOM 0 HB3 PHE A 31 21.918 6.594 -16.113 1.00 20.43 H new ATOM 0 HD1 PHE A 31 19.670 9.392 -17.065 1.00 0.22 H new ATOM 0 HD2 PHE A 31 20.575 5.257 -17.540 1.00 2.55 H new ATOM 0 HE1 PHE A 31 17.538 9.063 -18.239 1.00 72.23 H new ATOM 0 HE2 PHE A 31 18.445 4.925 -18.716 1.00 54.11 H new ATOM 0 HZ PHE A 31 16.919 6.827 -19.065 1.00 23.24 H new ATOM 459 N GLU A 32 23.530 7.959 -14.191 1.00 3.11 N ATOM 460 CA GLU A 32 24.332 7.451 -13.084 1.00 10.42 C ATOM 461 C GLU A 32 24.062 8.244 -11.808 1.00 73.20 C ATOM 462 O GLU A 32 23.832 7.670 -10.743 1.00 64.44 O ATOM 463 CB GLU A 32 25.821 7.516 -13.432 1.00 33.35 C ATOM 464 CG GLU A 32 26.730 7.071 -12.299 1.00 21.54 C ATOM 465 CD GLU A 32 27.626 8.186 -11.797 1.00 45.23 C ATOM 466 OE1 GLU A 32 27.146 9.024 -11.005 1.00 61.54 O ATOM 467 OE2 GLU A 32 28.809 8.221 -12.197 1.00 41.14 O ATOM 0 H GLU A 32 24.072 8.266 -14.999 1.00 3.11 H new ATOM 0 HA GLU A 32 24.051 6.412 -12.912 1.00 10.42 H new ATOM 0 HB2 GLU A 32 26.009 6.891 -14.305 1.00 33.35 H new ATOM 0 HB3 GLU A 32 26.076 8.538 -13.711 1.00 33.35 H new ATOM 0 HG2 GLU A 32 26.121 6.700 -11.474 1.00 21.54 H new ATOM 0 HG3 GLU A 32 27.347 6.239 -12.639 1.00 21.54 H new ATOM 474 N LYS A 33 24.091 9.567 -11.923 1.00 50.23 N ATOM 475 CA LYS A 33 23.849 10.441 -10.781 1.00 71.32 C ATOM 476 C LYS A 33 22.473 10.179 -10.178 1.00 75.21 C ATOM 477 O LYS A 33 22.343 9.972 -8.972 1.00 2.40 O ATOM 478 CB LYS A 33 23.962 11.908 -11.202 1.00 24.31 C ATOM 479 CG LYS A 33 24.873 12.729 -10.306 1.00 23.33 C ATOM 480 CD LYS A 33 26.253 12.899 -10.919 1.00 22.41 C ATOM 481 CE LYS A 33 26.424 14.279 -11.534 1.00 55.13 C ATOM 482 NZ LYS A 33 25.632 14.429 -12.787 1.00 4.41 N ATOM 0 H LYS A 33 24.280 10.058 -12.797 1.00 50.23 H new ATOM 0 HA LYS A 33 24.605 10.227 -10.025 1.00 71.32 H new ATOM 0 HB2 LYS A 33 24.334 11.956 -12.226 1.00 24.31 H new ATOM 0 HB3 LYS A 33 22.968 12.355 -11.202 1.00 24.31 H new ATOM 0 HG2 LYS A 33 24.428 13.709 -10.133 1.00 23.33 H new ATOM 0 HG3 LYS A 33 24.963 12.243 -9.334 1.00 23.33 H new ATOM 0 HD2 LYS A 33 27.014 12.744 -10.154 1.00 22.41 H new ATOM 0 HD3 LYS A 33 26.409 12.137 -11.683 1.00 22.41 H new ATOM 0 HE2 LYS A 33 26.114 15.038 -10.815 1.00 55.13 H new ATOM 0 HE3 LYS A 33 27.479 14.454 -11.748 1.00 55.13 H new ATOM 0 HZ1 LYS A 33 25.775 15.383 -13.176 1.00 4.41 H new ATOM 0 HZ2 LYS A 33 25.945 13.721 -13.482 1.00 4.41 H new ATOM 0 HZ3 LYS A 33 24.623 14.288 -12.579 1.00 4.41 H new ATOM 496 N GLU A 34 21.448 10.188 -11.026 1.00 25.33 N ATOM 497 CA GLU A 34 20.082 9.950 -10.575 1.00 3.24 C ATOM 498 C GLU A 34 19.995 8.664 -9.758 1.00 73.02 C ATOM 499 O GLU A 34 19.424 8.647 -8.667 1.00 24.21 O ATOM 500 CB GLU A 34 19.132 9.873 -11.772 1.00 4.13 C ATOM 501 CG GLU A 34 18.080 10.969 -11.785 1.00 42.24 C ATOM 502 CD GLU A 34 16.942 10.673 -12.742 1.00 34.10 C ATOM 503 OE1 GLU A 34 17.158 9.906 -13.703 1.00 51.24 O ATOM 504 OE2 GLU A 34 15.834 11.208 -12.528 1.00 54.33 O ATOM 0 H GLU A 34 21.538 10.357 -12.028 1.00 25.33 H new ATOM 0 HA GLU A 34 19.786 10.784 -9.939 1.00 3.24 H new ATOM 0 HB2 GLU A 34 19.714 9.929 -12.692 1.00 4.13 H new ATOM 0 HB3 GLU A 34 18.634 8.903 -11.768 1.00 4.13 H new ATOM 0 HG2 GLU A 34 17.680 11.096 -10.779 1.00 42.24 H new ATOM 0 HG3 GLU A 34 18.548 11.913 -12.063 1.00 42.24 H new ATOM 511 N ILE A 35 20.563 7.590 -10.295 1.00 71.41 N ATOM 512 CA ILE A 35 20.550 6.299 -9.617 1.00 14.51 C ATOM 513 C ILE A 35 21.235 6.386 -8.257 1.00 54.12 C ATOM 514 O ILE A 35 20.734 5.859 -7.264 1.00 40.41 O ATOM 515 CB ILE A 35 21.243 5.213 -10.460 1.00 51.01 C ATOM 516 CG1 ILE A 35 20.478 4.984 -11.765 1.00 74.30 C ATOM 517 CG2 ILE A 35 21.352 3.918 -9.669 1.00 42.11 C ATOM 518 CD1 ILE A 35 19.113 4.363 -11.564 1.00 70.20 C ATOM 0 H ILE A 35 21.038 7.588 -11.198 1.00 71.41 H new ATOM 0 HA ILE A 35 19.504 6.026 -9.478 1.00 14.51 H new ATOM 0 HB ILE A 35 22.250 5.552 -10.706 1.00 51.01 H new ATOM 0 HG12 ILE A 35 20.362 5.937 -12.281 1.00 74.30 H new ATOM 0 HG13 ILE A 35 21.069 4.339 -12.415 1.00 74.30 H new ATOM 0 HG21 ILE A 35 21.844 3.160 -10.278 1.00 42.11 H new ATOM 0 HG22 ILE A 35 21.936 4.092 -8.765 1.00 42.11 H new ATOM 0 HG23 ILE A 35 20.355 3.573 -9.396 1.00 42.11 H new ATOM 0 HD11 ILE A 35 18.628 4.230 -12.531 1.00 70.20 H new ATOM 0 HD12 ILE A 35 19.222 3.394 -11.076 1.00 70.20 H new ATOM 0 HD13 ILE A 35 18.504 5.017 -10.940 1.00 70.20 H new ATOM 530 N ALA A 36 22.382 7.056 -8.220 1.00 72.04 N ATOM 531 CA ALA A 36 23.134 7.215 -6.982 1.00 12.40 C ATOM 532 C ALA A 36 22.267 7.831 -5.889 1.00 2.32 C ATOM 533 O ALA A 36 22.215 7.327 -4.767 1.00 50.44 O ATOM 534 CB ALA A 36 24.370 8.069 -7.222 1.00 3.14 C ATOM 0 H ALA A 36 22.811 7.497 -9.034 1.00 72.04 H new ATOM 0 HA ALA A 36 23.448 6.227 -6.646 1.00 12.40 H new ATOM 0 HB1 ALA A 36 24.923 8.180 -6.289 1.00 3.14 H new ATOM 0 HB2 ALA A 36 25.006 7.588 -7.965 1.00 3.14 H new ATOM 0 HB3 ALA A 36 24.068 9.052 -7.584 1.00 3.14 H new ATOM 540 N ALA A 37 21.589 8.924 -6.223 1.00 41.33 N ATOM 541 CA ALA A 37 20.724 9.608 -5.270 1.00 72.11 C ATOM 542 C ALA A 37 19.518 8.747 -4.908 1.00 50.51 C ATOM 543 O ALA A 37 19.018 8.803 -3.784 1.00 62.33 O ATOM 544 CB ALA A 37 20.269 10.946 -5.835 1.00 25.31 C ATOM 0 H ALA A 37 21.622 9.355 -7.147 1.00 41.33 H new ATOM 0 HA ALA A 37 21.297 9.787 -4.360 1.00 72.11 H new ATOM 0 HB1 ALA A 37 19.624 11.446 -5.112 1.00 25.31 H new ATOM 0 HB2 ALA A 37 21.139 11.571 -6.037 1.00 25.31 H new ATOM 0 HB3 ALA A 37 19.718 10.781 -6.761 1.00 25.31 H new ATOM 550 N PHE A 38 19.054 7.953 -5.867 1.00 44.14 N ATOM 551 CA PHE A 38 17.905 7.082 -5.650 1.00 25.12 C ATOM 552 C PHE A 38 18.190 6.073 -4.541 1.00 62.21 C ATOM 553 O PHE A 38 17.433 5.964 -3.578 1.00 14.23 O ATOM 554 CB PHE A 38 17.543 6.348 -6.942 1.00 63.44 C ATOM 555 CG PHE A 38 16.127 6.578 -7.386 1.00 32.42 C ATOM 556 CD1 PHE A 38 15.589 7.854 -7.397 1.00 41.53 C ATOM 557 CD2 PHE A 38 15.333 5.517 -7.790 1.00 73.44 C ATOM 558 CE1 PHE A 38 14.286 8.070 -7.805 1.00 60.41 C ATOM 559 CE2 PHE A 38 14.029 5.726 -8.200 1.00 23.34 C ATOM 560 CZ PHE A 38 13.505 7.004 -8.206 1.00 31.53 C ATOM 0 H PHE A 38 19.456 7.895 -6.803 1.00 44.14 H new ATOM 0 HA PHE A 38 17.062 7.703 -5.345 1.00 25.12 H new ATOM 0 HB2 PHE A 38 18.220 6.668 -7.734 1.00 63.44 H new ATOM 0 HB3 PHE A 38 17.702 5.279 -6.800 1.00 63.44 H new ATOM 0 HD1 PHE A 38 16.195 8.691 -7.083 1.00 41.53 H new ATOM 0 HD2 PHE A 38 15.737 4.515 -7.785 1.00 73.44 H new ATOM 0 HE1 PHE A 38 13.880 9.071 -7.810 1.00 60.41 H new ATOM 0 HE2 PHE A 38 13.421 4.891 -8.515 1.00 23.34 H new ATOM 0 HZ PHE A 38 12.486 7.169 -8.524 1.00 31.53 H new ATOM 570 N GLU A 39 19.288 5.337 -4.687 1.00 33.25 N ATOM 571 CA GLU A 39 19.672 4.336 -3.698 1.00 73.33 C ATOM 572 C GLU A 39 20.029 4.993 -2.368 1.00 40.14 C ATOM 573 O GLU A 39 19.705 4.474 -1.300 1.00 63.23 O ATOM 574 CB GLU A 39 20.857 3.513 -4.208 1.00 32.44 C ATOM 575 CG GLU A 39 22.085 4.348 -4.527 1.00 64.41 C ATOM 576 CD GLU A 39 23.216 3.523 -5.111 1.00 32.52 C ATOM 577 OE1 GLU A 39 22.945 2.405 -5.598 1.00 43.45 O ATOM 578 OE2 GLU A 39 24.372 3.995 -5.080 1.00 15.02 O ATOM 0 H GLU A 39 19.926 5.415 -5.479 1.00 33.25 H new ATOM 0 HA GLU A 39 18.821 3.674 -3.538 1.00 73.33 H new ATOM 0 HB2 GLU A 39 21.120 2.767 -3.458 1.00 32.44 H new ATOM 0 HB3 GLU A 39 20.554 2.971 -5.104 1.00 32.44 H new ATOM 0 HG2 GLU A 39 21.812 5.134 -5.231 1.00 64.41 H new ATOM 0 HG3 GLU A 39 22.431 4.840 -3.618 1.00 64.41 H new ATOM 585 N SER A 40 20.699 6.139 -2.442 1.00 63.44 N ATOM 586 CA SER A 40 21.105 6.865 -1.245 1.00 40.51 C ATOM 587 C SER A 40 19.891 7.432 -0.516 1.00 54.41 C ATOM 588 O SER A 40 19.913 7.613 0.701 1.00 41.22 O ATOM 589 CB SER A 40 22.068 7.996 -1.611 1.00 41.44 C ATOM 590 OG SER A 40 21.369 9.209 -1.834 1.00 44.04 O ATOM 0 H SER A 40 20.972 6.584 -3.318 1.00 63.44 H new ATOM 0 HA SER A 40 21.613 6.166 -0.580 1.00 40.51 H new ATOM 0 HB2 SER A 40 22.794 8.133 -0.810 1.00 41.44 H new ATOM 0 HB3 SER A 40 22.628 7.726 -2.506 1.00 41.44 H new ATOM 0 HG SER A 40 20.630 9.051 -2.457 1.00 44.04 H new ATOM 596 N GLU A 41 18.832 7.711 -1.271 1.00 30.34 N ATOM 597 CA GLU A 41 17.608 8.258 -0.697 1.00 4.14 C ATOM 598 C GLU A 41 16.745 7.151 -0.098 1.00 64.23 C ATOM 599 O GLU A 41 16.078 7.349 0.918 1.00 74.24 O ATOM 600 CB GLU A 41 16.815 9.019 -1.761 1.00 62.01 C ATOM 601 CG GLU A 41 17.213 10.480 -1.888 1.00 62.23 C ATOM 602 CD GLU A 41 16.507 11.179 -3.033 1.00 51.33 C ATOM 603 OE1 GLU A 41 15.423 10.710 -3.438 1.00 11.02 O ATOM 604 OE2 GLU A 41 17.039 12.197 -3.525 1.00 20.14 O ATOM 0 H GLU A 41 18.797 7.567 -2.280 1.00 30.34 H new ATOM 0 HA GLU A 41 17.888 8.947 0.100 1.00 4.14 H new ATOM 0 HB2 GLU A 41 16.953 8.529 -2.725 1.00 62.01 H new ATOM 0 HB3 GLU A 41 15.753 8.960 -1.522 1.00 62.01 H new ATOM 0 HG2 GLU A 41 16.985 10.997 -0.956 1.00 62.23 H new ATOM 0 HG3 GLU A 41 18.291 10.548 -2.035 1.00 62.23 H new ATOM 611 N LEU A 42 16.764 5.985 -0.735 1.00 52.33 N ATOM 612 CA LEU A 42 15.983 4.845 -0.268 1.00 10.25 C ATOM 613 C LEU A 42 16.637 4.200 0.950 1.00 1.11 C ATOM 614 O LEU A 42 15.954 3.655 1.817 1.00 42.03 O ATOM 615 CB LEU A 42 15.831 3.813 -1.386 1.00 31.21 C ATOM 616 CG LEU A 42 14.948 4.225 -2.564 1.00 60.04 C ATOM 617 CD1 LEU A 42 15.302 3.419 -3.804 1.00 61.42 C ATOM 618 CD2 LEU A 42 13.477 4.051 -2.215 1.00 41.41 C ATOM 0 H LEU A 42 17.312 5.804 -1.576 1.00 52.33 H new ATOM 0 HA LEU A 42 14.996 5.206 0.021 1.00 10.25 H new ATOM 0 HB2 LEU A 42 16.823 3.572 -1.768 1.00 31.21 H new ATOM 0 HB3 LEU A 42 15.424 2.898 -0.956 1.00 31.21 H new ATOM 0 HG LEU A 42 15.128 5.279 -2.777 1.00 60.04 H new ATOM 0 HD11 LEU A 42 14.663 3.726 -4.632 1.00 61.42 H new ATOM 0 HD12 LEU A 42 16.345 3.594 -4.066 1.00 61.42 H new ATOM 0 HD13 LEU A 42 15.151 2.358 -3.604 1.00 61.42 H new ATOM 0 HD21 LEU A 42 12.864 4.349 -3.065 1.00 41.41 H new ATOM 0 HD22 LEU A 42 13.281 3.006 -1.975 1.00 41.41 H new ATOM 0 HD23 LEU A 42 13.231 4.673 -1.354 1.00 41.41 H new ATOM 630 N GLN A 43 17.963 4.268 1.009 1.00 41.42 N ATOM 631 CA GLN A 43 18.709 3.692 2.121 1.00 13.15 C ATOM 632 C GLN A 43 18.558 4.544 3.377 1.00 0.33 C ATOM 633 O GLN A 43 18.764 4.066 4.492 1.00 23.12 O ATOM 634 CB GLN A 43 20.188 3.558 1.756 1.00 21.35 C ATOM 635 CG GLN A 43 20.961 4.863 1.858 1.00 31.24 C ATOM 636 CD GLN A 43 21.823 4.935 3.103 1.00 33.05 C ATOM 637 OE1 GLN A 43 21.664 5.832 3.931 1.00 14.44 O ATOM 638 NE2 GLN A 43 22.743 3.987 3.243 1.00 55.51 N ATOM 0 H GLN A 43 18.543 4.716 0.300 1.00 41.42 H new ATOM 0 HA GLN A 43 18.302 2.702 2.325 1.00 13.15 H new ATOM 0 HB2 GLN A 43 20.650 2.820 2.412 1.00 21.35 H new ATOM 0 HB3 GLN A 43 20.269 3.176 0.738 1.00 21.35 H new ATOM 0 HG2 GLN A 43 21.592 4.977 0.977 1.00 31.24 H new ATOM 0 HG3 GLN A 43 20.260 5.697 1.858 1.00 31.24 H new ATOM 0 HE21 GLN A 43 22.841 3.262 2.532 1.00 55.51 H new ATOM 0 HE22 GLN A 43 23.352 3.984 4.061 1.00 55.51 H new ATOM 647 N ALA A 44 18.197 5.809 3.188 1.00 4.41 N ATOM 648 CA ALA A 44 18.018 6.728 4.306 1.00 74.33 C ATOM 649 C ALA A 44 16.685 6.486 5.006 1.00 32.20 C ATOM 650 O ALA A 44 16.503 6.865 6.163 1.00 13.12 O ATOM 651 CB ALA A 44 18.110 8.168 3.825 1.00 53.40 C ATOM 0 H ALA A 44 18.023 6.221 2.271 1.00 4.41 H new ATOM 0 HA ALA A 44 18.816 6.546 5.026 1.00 74.33 H new ATOM 0 HB1 ALA A 44 17.975 8.843 4.670 1.00 53.40 H new ATOM 0 HB2 ALA A 44 19.088 8.340 3.376 1.00 53.40 H new ATOM 0 HB3 ALA A 44 17.333 8.354 3.084 1.00 53.40 H new ATOM 764 N GLU A 52 12.077 -3.614 1.957 1.00 22.20 N ATOM 765 CA GLU A 52 11.687 -3.408 0.567 1.00 33.13 C ATOM 766 C GLU A 52 12.780 -2.671 -0.201 1.00 55.13 C ATOM 767 O GLU A 52 12.996 -2.920 -1.387 1.00 71.04 O ATOM 768 CB GLU A 52 10.377 -2.621 0.494 1.00 54.12 C ATOM 769 CG GLU A 52 10.497 -1.190 0.992 1.00 63.53 C ATOM 770 CD GLU A 52 9.150 -0.556 1.276 1.00 53.13 C ATOM 771 OE1 GLU A 52 8.406 -0.287 0.309 1.00 0.41 O ATOM 772 OE2 GLU A 52 8.839 -0.329 2.463 1.00 12.54 O ATOM 0 HA GLU A 52 11.541 -4.386 0.108 1.00 33.13 H new ATOM 0 HB2 GLU A 52 10.027 -2.609 -0.538 1.00 54.12 H new ATOM 0 HB3 GLU A 52 9.619 -3.139 1.082 1.00 54.12 H new ATOM 0 HG2 GLU A 52 11.100 -1.175 1.900 1.00 63.53 H new ATOM 0 HG3 GLU A 52 11.025 -0.594 0.248 1.00 63.53 H new ATOM 779 N VAL A 53 13.466 -1.761 0.483 1.00 34.23 N ATOM 780 CA VAL A 53 14.536 -0.987 -0.133 1.00 64.45 C ATOM 781 C VAL A 53 15.629 -1.899 -0.680 1.00 72.52 C ATOM 782 O VAL A 53 16.399 -1.506 -1.555 1.00 41.51 O ATOM 783 CB VAL A 53 15.162 0.002 0.867 1.00 2.04 C ATOM 784 CG1 VAL A 53 16.299 0.774 0.215 1.00 10.14 C ATOM 785 CG2 VAL A 53 14.104 0.951 1.410 1.00 43.12 C ATOM 0 H VAL A 53 13.299 -1.542 1.465 1.00 34.23 H new ATOM 0 HA VAL A 53 14.088 -0.427 -0.954 1.00 64.45 H new ATOM 0 HB VAL A 53 15.573 -0.564 1.703 1.00 2.04 H new ATOM 0 HG11 VAL A 53 16.729 1.468 0.937 1.00 10.14 H new ATOM 0 HG12 VAL A 53 17.067 0.077 -0.120 1.00 10.14 H new ATOM 0 HG13 VAL A 53 15.917 1.331 -0.640 1.00 10.14 H new ATOM 0 HG21 VAL A 53 14.564 1.643 2.115 1.00 43.12 H new ATOM 0 HG22 VAL A 53 13.662 1.512 0.587 1.00 43.12 H new ATOM 0 HG23 VAL A 53 13.328 0.378 1.917 1.00 43.12 H new ATOM 795 N GLU A 54 15.689 -3.121 -0.158 1.00 51.41 N ATOM 796 CA GLU A 54 16.688 -4.089 -0.594 1.00 41.15 C ATOM 797 C GLU A 54 16.710 -4.200 -2.116 1.00 74.32 C ATOM 798 O GLU A 54 17.744 -3.994 -2.750 1.00 24.44 O ATOM 799 CB GLU A 54 16.406 -5.460 0.024 1.00 4.32 C ATOM 800 CG GLU A 54 16.762 -5.546 1.499 1.00 34.40 C ATOM 801 CD GLU A 54 18.212 -5.925 1.729 1.00 50.34 C ATOM 802 OE1 GLU A 54 19.057 -5.574 0.879 1.00 45.11 O ATOM 803 OE2 GLU A 54 18.502 -6.571 2.757 1.00 75.33 O ATOM 0 H GLU A 54 15.058 -3.463 0.567 1.00 51.41 H new ATOM 0 HA GLU A 54 17.665 -3.741 -0.258 1.00 41.15 H new ATOM 0 HB2 GLU A 54 15.349 -5.695 -0.101 1.00 4.32 H new ATOM 0 HB3 GLU A 54 16.968 -6.218 -0.522 1.00 4.32 H new ATOM 0 HG2 GLU A 54 16.562 -4.585 1.974 1.00 34.40 H new ATOM 0 HG3 GLU A 54 16.118 -6.280 1.982 1.00 34.40 H new ATOM 810 N ALA A 55 15.559 -4.528 -2.696 1.00 25.11 N ATOM 811 CA ALA A 55 15.445 -4.666 -4.143 1.00 1.35 C ATOM 812 C ALA A 55 15.994 -3.435 -4.856 1.00 53.21 C ATOM 813 O ALA A 55 16.816 -3.547 -5.766 1.00 71.14 O ATOM 814 CB ALA A 55 13.995 -4.904 -4.537 1.00 21.40 C ATOM 0 H ALA A 55 14.693 -4.703 -2.186 1.00 25.11 H new ATOM 0 HA ALA A 55 16.039 -5.527 -4.450 1.00 1.35 H new ATOM 0 HB1 ALA A 55 13.924 -5.005 -5.620 1.00 21.40 H new ATOM 0 HB2 ALA A 55 13.634 -5.817 -4.063 1.00 21.40 H new ATOM 0 HB3 ALA A 55 13.386 -4.061 -4.211 1.00 21.40 H new ATOM 820 N LEU A 56 15.534 -2.261 -4.438 1.00 53.44 N ATOM 821 CA LEU A 56 15.978 -1.007 -5.039 1.00 22.45 C ATOM 822 C LEU A 56 17.496 -0.877 -4.965 1.00 1.42 C ATOM 823 O LEU A 56 18.139 -0.442 -5.921 1.00 13.24 O ATOM 824 CB LEU A 56 15.318 0.180 -4.336 1.00 32.14 C ATOM 825 CG LEU A 56 13.796 0.119 -4.201 1.00 71.35 C ATOM 826 CD1 LEU A 56 13.329 0.963 -3.026 1.00 22.12 C ATOM 827 CD2 LEU A 56 13.128 0.579 -5.489 1.00 61.12 C ATOM 0 H LEU A 56 14.854 -2.151 -3.686 1.00 53.44 H new ATOM 0 HA LEU A 56 15.682 -1.010 -6.088 1.00 22.45 H new ATOM 0 HB2 LEU A 56 15.748 0.270 -3.338 1.00 32.14 H new ATOM 0 HB3 LEU A 56 15.578 1.089 -4.879 1.00 32.14 H new ATOM 0 HG LEU A 56 13.509 -0.916 -4.015 1.00 71.35 H new ATOM 0 HD11 LEU A 56 12.243 0.907 -2.946 1.00 22.12 H new ATOM 0 HD12 LEU A 56 13.780 0.589 -2.107 1.00 22.12 H new ATOM 0 HD13 LEU A 56 13.628 2.000 -3.181 1.00 22.12 H new ATOM 0 HD21 LEU A 56 12.045 0.529 -5.375 1.00 61.12 H new ATOM 0 HD22 LEU A 56 13.423 1.606 -5.705 1.00 61.12 H new ATOM 0 HD23 LEU A 56 13.437 -0.068 -6.310 1.00 61.12 H new ATOM 839 N ARG A 57 18.063 -1.258 -3.825 1.00 0.43 N ATOM 840 CA ARG A 57 19.506 -1.184 -3.627 1.00 14.22 C ATOM 841 C ARG A 57 20.239 -2.062 -4.636 1.00 75.43 C ATOM 842 O ARG A 57 21.229 -1.644 -5.236 1.00 23.31 O ATOM 843 CB ARG A 57 19.869 -1.612 -2.204 1.00 0.33 C ATOM 844 CG ARG A 57 19.909 -0.460 -1.213 1.00 4.30 C ATOM 845 CD ARG A 57 20.267 -0.939 0.185 1.00 60.50 C ATOM 846 NE ARG A 57 21.562 -1.613 0.218 1.00 64.22 N ATOM 847 CZ ARG A 57 22.027 -2.261 1.280 1.00 2.23 C ATOM 848 NH1 ARG A 57 21.306 -2.322 2.391 1.00 21.42 N ATOM 849 NH2 ARG A 57 23.216 -2.849 1.233 1.00 73.12 N ATOM 0 H ARG A 57 17.545 -1.621 -3.025 1.00 0.43 H new ATOM 0 HA ARG A 57 19.816 -0.150 -3.779 1.00 14.22 H new ATOM 0 HB2 ARG A 57 19.145 -2.351 -1.860 1.00 0.33 H new ATOM 0 HB3 ARG A 57 20.843 -2.102 -2.218 1.00 0.33 H new ATOM 0 HG2 ARG A 57 20.638 0.280 -1.543 1.00 4.30 H new ATOM 0 HG3 ARG A 57 18.939 0.036 -1.191 1.00 4.30 H new ATOM 0 HD2 ARG A 57 20.284 -0.088 0.866 1.00 60.50 H new ATOM 0 HD3 ARG A 57 19.495 -1.620 0.544 1.00 60.50 H new ATOM 0 HE ARG A 57 22.141 -1.585 -0.621 1.00 64.22 H new ATOM 0 HH11 ARG A 57 20.392 -1.871 2.431 1.00 21.42 H new ATOM 0 HH12 ARG A 57 21.665 -2.820 3.205 1.00 21.42 H new ATOM 0 HH21 ARG A 57 23.774 -2.804 0.380 1.00 73.12 H new ATOM 0 HH22 ARG A 57 23.572 -3.346 2.049 1.00 73.12 H new ATOM 863 N LYS A 58 19.745 -3.282 -4.819 1.00 61.52 N ATOM 864 CA LYS A 58 20.351 -4.221 -5.756 1.00 43.00 C ATOM 865 C LYS A 58 20.308 -3.674 -7.179 1.00 54.12 C ATOM 866 O LYS A 58 21.343 -3.518 -7.825 1.00 41.23 O ATOM 867 CB LYS A 58 19.632 -5.571 -5.695 1.00 4.42 C ATOM 868 CG LYS A 58 20.343 -6.674 -6.460 1.00 3.44 C ATOM 869 CD LYS A 58 20.114 -8.033 -5.820 1.00 53.22 C ATOM 870 CE LYS A 58 21.103 -8.294 -4.695 1.00 45.22 C ATOM 871 NZ LYS A 58 21.163 -9.737 -4.333 1.00 3.02 N ATOM 0 H LYS A 58 18.926 -3.644 -4.330 1.00 61.52 H new ATOM 0 HA LYS A 58 21.394 -4.359 -5.470 1.00 43.00 H new ATOM 0 HB2 LYS A 58 19.529 -5.872 -4.652 1.00 4.42 H new ATOM 0 HB3 LYS A 58 18.624 -5.455 -6.094 1.00 4.42 H new ATOM 0 HG2 LYS A 58 19.987 -6.691 -7.490 1.00 3.44 H new ATOM 0 HG3 LYS A 58 21.412 -6.463 -6.495 1.00 3.44 H new ATOM 0 HD2 LYS A 58 19.097 -8.086 -5.431 1.00 53.22 H new ATOM 0 HD3 LYS A 58 20.208 -8.813 -6.576 1.00 53.22 H new ATOM 0 HE2 LYS A 58 22.094 -7.954 -4.996 1.00 45.22 H new ATOM 0 HE3 LYS A 58 20.818 -7.711 -3.819 1.00 45.22 H new ATOM 0 HZ1 LYS A 58 21.848 -9.873 -3.563 1.00 3.02 H new ATOM 0 HZ2 LYS A 58 20.224 -10.056 -4.021 1.00 3.02 H new ATOM 0 HZ3 LYS A 58 21.459 -10.291 -5.162 1.00 3.02 H new ATOM 885 N GLU A 59 19.103 -3.383 -7.660 1.00 73.41 N ATOM 886 CA GLU A 59 18.926 -2.853 -9.007 1.00 0.12 C ATOM 887 C GLU A 59 19.778 -1.605 -9.216 1.00 44.40 C ATOM 888 O GLU A 59 20.545 -1.517 -10.175 1.00 22.35 O ATOM 889 CB GLU A 59 17.453 -2.526 -9.261 1.00 71.51 C ATOM 890 CG GLU A 59 16.658 -3.696 -9.817 1.00 54.32 C ATOM 891 CD GLU A 59 15.538 -3.254 -10.740 1.00 3.42 C ATOM 892 OE1 GLU A 59 15.111 -2.085 -10.637 1.00 75.10 O ATOM 893 OE2 GLU A 59 15.091 -4.077 -11.565 1.00 75.20 O ATOM 0 H GLU A 59 18.236 -3.505 -7.137 1.00 73.41 H new ATOM 0 HA GLU A 59 19.249 -3.616 -9.715 1.00 0.12 H new ATOM 0 HB2 GLU A 59 16.996 -2.198 -8.327 1.00 71.51 H new ATOM 0 HB3 GLU A 59 17.390 -1.690 -9.958 1.00 71.51 H new ATOM 0 HG2 GLU A 59 17.329 -4.362 -10.359 1.00 54.32 H new ATOM 0 HG3 GLU A 59 16.238 -4.270 -8.991 1.00 54.32 H new ATOM 900 N ALA A 60 19.637 -0.641 -8.312 1.00 44.30 N ATOM 901 CA ALA A 60 20.395 0.602 -8.396 1.00 34.01 C ATOM 902 C ALA A 60 21.885 0.326 -8.566 1.00 53.43 C ATOM 903 O ALA A 60 22.523 0.854 -9.477 1.00 31.13 O ATOM 904 CB ALA A 60 20.151 1.453 -7.158 1.00 64.31 C ATOM 0 H ALA A 60 19.005 -0.697 -7.513 1.00 44.30 H new ATOM 0 HA ALA A 60 20.052 1.150 -9.274 1.00 34.01 H new ATOM 0 HB1 ALA A 60 20.723 2.378 -7.234 1.00 64.31 H new ATOM 0 HB2 ALA A 60 19.089 1.688 -7.081 1.00 64.31 H new ATOM 0 HB3 ALA A 60 20.466 0.903 -6.271 1.00 64.31 H new ATOM 910 N ALA A 61 22.433 -0.503 -7.684 1.00 42.51 N ATOM 911 CA ALA A 61 23.848 -0.849 -7.738 1.00 40.22 C ATOM 912 C ALA A 61 24.227 -1.397 -9.110 1.00 31.02 C ATOM 913 O ALA A 61 25.251 -1.020 -9.678 1.00 24.21 O ATOM 914 CB ALA A 61 24.186 -1.859 -6.652 1.00 60.20 C ATOM 0 H ALA A 61 21.919 -0.947 -6.924 1.00 42.51 H new ATOM 0 HA ALA A 61 24.426 0.059 -7.566 1.00 40.22 H new ATOM 0 HB1 ALA A 61 25.246 -2.108 -6.704 1.00 60.20 H new ATOM 0 HB2 ALA A 61 23.961 -1.431 -5.675 1.00 60.20 H new ATOM 0 HB3 ALA A 61 23.593 -2.762 -6.798 1.00 60.20 H new ATOM 920 N ALA A 62 23.394 -2.289 -9.636 1.00 22.20 N ATOM 921 CA ALA A 62 23.642 -2.888 -10.942 1.00 32.14 C ATOM 922 C ALA A 62 23.725 -1.821 -12.028 1.00 61.41 C ATOM 923 O ALA A 62 24.629 -1.843 -12.864 1.00 4.44 O ATOM 924 CB ALA A 62 22.554 -3.898 -11.274 1.00 34.54 C ATOM 0 H ALA A 62 22.542 -2.613 -9.178 1.00 22.20 H new ATOM 0 HA ALA A 62 24.601 -3.404 -10.902 1.00 32.14 H new ATOM 0 HB1 ALA A 62 22.752 -4.337 -12.252 1.00 34.54 H new ATOM 0 HB2 ALA A 62 22.544 -4.684 -10.518 1.00 34.54 H new ATOM 0 HB3 ALA A 62 21.586 -3.398 -11.290 1.00 34.54 H new ATOM 930 N ILE A 63 22.777 -0.891 -12.011 1.00 52.10 N ATOM 931 CA ILE A 63 22.744 0.184 -12.995 1.00 2.00 C ATOM 932 C ILE A 63 24.007 1.035 -12.921 1.00 43.24 C ATOM 933 O ILE A 63 24.589 1.390 -13.946 1.00 45.14 O ATOM 934 CB ILE A 63 21.515 1.091 -12.797 1.00 43.04 C ATOM 935 CG1 ILE A 63 20.228 0.271 -12.896 1.00 35.41 C ATOM 936 CG2 ILE A 63 21.515 2.213 -13.825 1.00 14.23 C ATOM 937 CD1 ILE A 63 19.203 0.626 -11.842 1.00 34.24 C ATOM 0 H ILE A 63 22.021 -0.860 -11.327 1.00 52.10 H new ATOM 0 HA ILE A 63 22.683 -0.287 -13.976 1.00 2.00 H new ATOM 0 HB ILE A 63 21.565 1.535 -11.803 1.00 43.04 H new ATOM 0 HG12 ILE A 63 19.788 0.417 -13.883 1.00 35.41 H new ATOM 0 HG13 ILE A 63 20.474 -0.788 -12.810 1.00 35.41 H new ATOM 0 HG21 ILE A 63 20.641 2.846 -13.673 1.00 14.23 H new ATOM 0 HG22 ILE A 63 22.420 2.810 -13.712 1.00 14.23 H new ATOM 0 HG23 ILE A 63 21.485 1.787 -14.828 1.00 14.23 H new ATOM 0 HD11 ILE A 63 18.317 0.005 -11.973 1.00 34.24 H new ATOM 0 HD12 ILE A 63 19.624 0.453 -10.852 1.00 34.24 H new ATOM 0 HD13 ILE A 63 18.928 1.676 -11.941 1.00 34.24 H new ATOM 949 N ARG A 64 24.427 1.358 -11.702 1.00 73.32 N ATOM 950 CA ARG A 64 25.622 2.167 -11.494 1.00 74.34 C ATOM 951 C ARG A 64 26.851 1.483 -12.087 1.00 55.51 C ATOM 952 O ARG A 64 27.649 2.113 -12.781 1.00 51.12 O ATOM 953 CB ARG A 64 25.837 2.422 -10.002 1.00 1.24 C ATOM 954 CG ARG A 64 27.129 3.160 -9.690 1.00 62.32 C ATOM 955 CD ARG A 64 27.198 4.494 -10.416 1.00 14.43 C ATOM 956 NE ARG A 64 28.376 5.267 -10.031 1.00 33.22 N ATOM 957 CZ ARG A 64 28.528 5.830 -8.837 1.00 54.04 C ATOM 958 NH1 ARG A 64 27.581 5.707 -7.917 1.00 52.14 N ATOM 959 NH2 ARG A 64 29.629 6.518 -8.562 1.00 75.42 N ATOM 0 H ARG A 64 23.957 1.072 -10.843 1.00 73.32 H new ATOM 0 HA ARG A 64 25.478 3.121 -12.001 1.00 74.34 H new ATOM 0 HB2 ARG A 64 24.997 2.999 -9.616 1.00 1.24 H new ATOM 0 HB3 ARG A 64 25.837 1.468 -9.475 1.00 1.24 H new ATOM 0 HG2 ARG A 64 27.204 3.325 -8.615 1.00 62.32 H new ATOM 0 HG3 ARG A 64 27.980 2.543 -9.978 1.00 62.32 H new ATOM 0 HD2 ARG A 64 27.214 4.321 -11.492 1.00 14.43 H new ATOM 0 HD3 ARG A 64 26.299 5.071 -10.200 1.00 14.43 H new ATOM 0 HE ARG A 64 29.123 5.381 -10.716 1.00 33.22 H new ATOM 0 HH11 ARG A 64 26.733 5.179 -8.125 1.00 52.14 H new ATOM 0 HH12 ARG A 64 27.700 6.140 -7.001 1.00 52.14 H new ATOM 0 HH21 ARG A 64 30.359 6.615 -9.267 1.00 75.42 H new ATOM 0 HH22 ARG A 64 29.745 6.950 -7.645 1.00 75.42 H new ATOM 973 N ASP A 65 26.996 0.193 -11.808 1.00 33.11 N ATOM 974 CA ASP A 65 28.127 -0.576 -12.313 1.00 72.35 C ATOM 975 C ASP A 65 28.146 -0.575 -13.839 1.00 23.21 C ATOM 976 O ASP A 65 29.197 -0.399 -14.455 1.00 33.01 O ATOM 977 CB ASP A 65 28.067 -2.013 -11.793 1.00 22.21 C ATOM 978 CG ASP A 65 28.168 -2.086 -10.282 1.00 21.30 C ATOM 979 OD1 ASP A 65 28.593 -1.086 -9.667 1.00 61.11 O ATOM 980 OD2 ASP A 65 27.823 -3.144 -9.714 1.00 51.03 O ATOM 0 H ASP A 65 26.344 -0.343 -11.235 1.00 33.11 H new ATOM 0 HA ASP A 65 29.043 -0.106 -11.955 1.00 72.35 H new ATOM 0 HB2 ASP A 65 27.133 -2.474 -12.115 1.00 22.21 H new ATOM 0 HB3 ASP A 65 28.877 -2.591 -12.237 1.00 22.21 H new ATOM 985 N GLU A 66 26.978 -0.774 -14.441 1.00 32.12 N ATOM 986 CA GLU A 66 26.862 -0.798 -15.894 1.00 43.32 C ATOM 987 C GLU A 66 27.271 0.544 -16.494 1.00 50.44 C ATOM 988 O GLU A 66 28.011 0.597 -17.477 1.00 42.24 O ATOM 989 CB GLU A 66 25.429 -1.139 -16.309 1.00 24.03 C ATOM 990 CG GLU A 66 24.918 -2.440 -15.715 1.00 34.54 C ATOM 991 CD GLU A 66 23.449 -2.375 -15.344 1.00 54.13 C ATOM 992 OE1 GLU A 66 22.725 -1.547 -15.936 1.00 53.03 O ATOM 993 OE2 GLU A 66 23.023 -3.150 -14.463 1.00 60.42 O ATOM 0 H GLU A 66 26.099 -0.921 -13.945 1.00 32.12 H new ATOM 0 HA GLU A 66 27.535 -1.567 -16.274 1.00 43.32 H new ATOM 0 HB2 GLU A 66 24.769 -0.327 -16.006 1.00 24.03 H new ATOM 0 HB3 GLU A 66 25.379 -1.201 -17.396 1.00 24.03 H new ATOM 0 HG2 GLU A 66 25.073 -3.247 -16.431 1.00 34.54 H new ATOM 0 HG3 GLU A 66 25.502 -2.684 -14.828 1.00 34.54 H new ATOM 1000 N CYS A 67 26.783 1.626 -15.897 1.00 24.22 N ATOM 1001 CA CYS A 67 27.096 2.969 -16.372 1.00 61.25 C ATOM 1002 C CYS A 67 28.599 3.225 -16.329 1.00 61.44 C ATOM 1003 O CYS A 67 29.164 3.813 -17.251 1.00 2.24 O ATOM 1004 CB CYS A 67 26.364 4.014 -15.529 1.00 43.25 C ATOM 1005 SG CYS A 67 24.568 4.006 -15.739 1.00 24.21 S ATOM 0 H CYS A 67 26.169 1.599 -15.083 1.00 24.22 H new ATOM 0 HA CYS A 67 26.762 3.049 -17.407 1.00 61.25 H new ATOM 0 HB2 CYS A 67 26.597 3.845 -14.478 1.00 43.25 H new ATOM 0 HB3 CYS A 67 26.745 5.003 -15.785 1.00 43.25 H new ATOM 0 HG CYS A 67 24.062 2.989 -15.107 1.00 24.21 H new ATOM 1011 N GLN A 68 29.239 2.779 -15.253 1.00 43.41 N ATOM 1012 CA GLN A 68 30.677 2.963 -15.089 1.00 75.44 C ATOM 1013 C GLN A 68 31.449 2.173 -16.141 1.00 22.44 C ATOM 1014 O GLN A 68 32.445 2.651 -16.682 1.00 62.24 O ATOM 1015 CB GLN A 68 31.111 2.530 -13.688 1.00 11.00 C ATOM 1016 CG GLN A 68 30.441 3.317 -12.573 1.00 52.23 C ATOM 1017 CD GLN A 68 31.299 4.461 -12.069 1.00 73.14 C ATOM 1018 OE1 GLN A 68 32.260 4.252 -11.328 1.00 75.32 O ATOM 1019 NE2 GLN A 68 30.956 5.680 -12.470 1.00 32.42 N ATOM 0 H GLN A 68 28.786 2.288 -14.482 1.00 43.41 H new ATOM 0 HA GLN A 68 30.901 4.022 -15.219 1.00 75.44 H new ATOM 0 HB2 GLN A 68 30.888 1.471 -13.559 1.00 11.00 H new ATOM 0 HB3 GLN A 68 32.192 2.641 -13.601 1.00 11.00 H new ATOM 0 HG2 GLN A 68 29.491 3.712 -12.932 1.00 52.23 H new ATOM 0 HG3 GLN A 68 30.215 2.645 -11.745 1.00 52.23 H new ATOM 0 HE21 GLN A 68 30.152 5.807 -13.084 1.00 32.42 H new ATOM 0 HE22 GLN A 68 31.497 6.489 -12.164 1.00 32.42 H new ATOM 1028 N ALA A 69 30.983 0.961 -16.424 1.00 22.45 N ATOM 1029 CA ALA A 69 31.630 0.105 -17.411 1.00 35.01 C ATOM 1030 C ALA A 69 31.463 0.668 -18.818 1.00 41.12 C ATOM 1031 O ALA A 69 32.392 0.631 -19.626 1.00 13.11 O ATOM 1032 CB ALA A 69 31.067 -1.307 -17.335 1.00 53.42 C ATOM 0 H ALA A 69 30.160 0.550 -15.984 1.00 22.45 H new ATOM 0 HA ALA A 69 32.696 0.072 -17.185 1.00 35.01 H new ATOM 0 HB1 ALA A 69 31.559 -1.935 -18.077 1.00 53.42 H new ATOM 0 HB2 ALA A 69 31.243 -1.716 -16.340 1.00 53.42 H new ATOM 0 HB3 ALA A 69 29.995 -1.283 -17.533 1.00 53.42 H new ATOM 1038 N TYR A 70 30.275 1.188 -19.106 1.00 1.25 N ATOM 1039 CA TYR A 70 29.986 1.756 -20.417 1.00 4.31 C ATOM 1040 C TYR A 70 30.907 2.936 -20.715 1.00 24.54 C ATOM 1041 O TYR A 70 31.047 3.354 -21.864 1.00 72.00 O ATOM 1042 CB TYR A 70 28.526 2.204 -20.492 1.00 13.14 C ATOM 1043 CG TYR A 70 27.536 1.072 -20.329 1.00 43.43 C ATOM 1044 CD1 TYR A 70 27.816 -0.197 -20.821 1.00 50.33 C ATOM 1045 CD2 TYR A 70 26.322 1.272 -19.685 1.00 13.00 C ATOM 1046 CE1 TYR A 70 26.915 -1.234 -20.676 1.00 52.30 C ATOM 1047 CE2 TYR A 70 25.415 0.241 -19.534 1.00 23.42 C ATOM 1048 CZ TYR A 70 25.716 -1.010 -20.031 1.00 63.22 C ATOM 1049 OH TYR A 70 24.815 -2.040 -19.884 1.00 4.11 O ATOM 0 H TYR A 70 29.496 1.228 -18.449 1.00 1.25 H new ATOM 0 HA TYR A 70 30.161 0.983 -21.165 1.00 4.31 H new ATOM 0 HB2 TYR A 70 28.343 2.950 -19.718 1.00 13.14 H new ATOM 0 HB3 TYR A 70 28.353 2.691 -21.451 1.00 13.14 H new ATOM 0 HD1 TYR A 70 28.754 -0.376 -21.325 1.00 50.33 H new ATOM 0 HD2 TYR A 70 26.083 2.250 -19.295 1.00 13.00 H new ATOM 0 HE1 TYR A 70 27.148 -2.214 -21.065 1.00 52.30 H new ATOM 0 HE2 TYR A 70 24.476 0.413 -19.030 1.00 23.42 H new ATOM 0 HH TYR A 70 24.023 -1.716 -19.407 1.00 4.11 H new ATOM 1059 N ARG A 71 31.535 3.466 -19.670 1.00 54.40 N ATOM 1060 CA ARG A 71 32.442 4.598 -19.818 1.00 23.41 C ATOM 1061 C ARG A 71 33.807 4.137 -20.321 1.00 43.30 C ATOM 1062 O ARG A 71 34.832 4.749 -20.016 1.00 32.43 O ATOM 1063 CB ARG A 71 32.599 5.331 -18.484 1.00 60.33 C ATOM 1064 CG ARG A 71 32.773 6.833 -18.632 1.00 52.41 C ATOM 1065 CD ARG A 71 31.431 7.546 -18.695 1.00 72.25 C ATOM 1066 NE ARG A 71 31.415 8.756 -17.879 1.00 14.34 N ATOM 1067 CZ ARG A 71 31.385 8.746 -16.551 1.00 13.34 C ATOM 1068 NH1 ARG A 71 31.368 7.595 -15.893 1.00 42.12 N ATOM 1069 NH2 ARG A 71 31.372 9.890 -15.877 1.00 73.25 N ATOM 0 H ARG A 71 31.432 3.130 -18.712 1.00 54.40 H new ATOM 0 HA ARG A 71 32.014 5.281 -20.552 1.00 23.41 H new ATOM 0 HB2 ARG A 71 31.723 5.134 -17.866 1.00 60.33 H new ATOM 0 HB3 ARG A 71 33.461 4.924 -17.955 1.00 60.33 H new ATOM 0 HG2 ARG A 71 33.352 7.218 -17.792 1.00 52.41 H new ATOM 0 HG3 ARG A 71 33.343 7.047 -19.536 1.00 52.41 H new ATOM 0 HD2 ARG A 71 31.206 7.804 -19.730 1.00 72.25 H new ATOM 0 HD3 ARG A 71 30.645 6.870 -18.357 1.00 72.25 H new ATOM 0 HE ARG A 71 31.428 9.658 -18.354 1.00 14.34 H new ATOM 0 HH11 ARG A 71 31.378 6.714 -16.407 1.00 42.12 H new ATOM 0 HH12 ARG A 71 31.345 7.591 -14.873 1.00 42.12 H new ATOM 0 HH21 ARG A 71 31.385 10.778 -16.379 1.00 73.25 H new ATOM 0 HH22 ARG A 71 31.349 9.881 -14.857 1.00 73.25 H new