USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 482 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 31 THR OG1 : rot -89:sc= 1.08 USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -170:sc= 1.16 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 94:sc= 0.774 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.969 K(o=-0.97,f=-4.1!) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= 1.95 (180deg=1.61) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 160:sc= 0.756 USER MOD Single : A 62 MET CE :methyl 147:sc= -0.163 (180deg=-1.54!) USER MOD Single : A 64 GLN : amide:sc= -0.0744 X(o=-0.074,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.817 -15.904 4.960 1.00 13.00 N ATOM 2 CA GLY A 1 24.080 -14.630 5.182 1.00 45.03 C ATOM 3 C GLY A 1 24.601 -13.501 4.315 1.00 41.03 C ATOM 4 O GLY A 1 25.471 -12.738 4.735 1.00 70.10 O ATOM 0 H1 GLY A 1 24.424 -16.644 5.575 1.00 13.00 H new ATOM 0 H2 GLY A 1 24.720 -16.193 3.966 1.00 13.00 H new ATOM 0 H3 GLY A 1 25.823 -15.766 5.184 1.00 13.00 H new ATOM 0 HA2 GLY A 1 23.021 -14.785 4.974 1.00 45.03 H new ATOM 0 HA3 GLY A 1 24.160 -14.345 6.231 1.00 45.03 H new ATOM 10 N SER A 2 24.068 -13.395 3.103 1.00 61.55 N ATOM 11 CA SER A 2 24.483 -12.350 2.173 1.00 62.34 C ATOM 12 C SER A 2 23.412 -11.272 2.052 1.00 72.15 C ATOM 13 O SER A 2 23.257 -10.652 0.999 1.00 23.13 O ATOM 14 CB SER A 2 24.778 -12.950 0.797 1.00 41.51 C ATOM 15 OG SER A 2 25.724 -12.167 0.090 1.00 63.13 O ATOM 0 H SER A 2 23.348 -14.020 2.741 1.00 61.55 H new ATOM 0 HA SER A 2 25.391 -11.891 2.564 1.00 62.34 H new ATOM 0 HB2 SER A 2 25.157 -13.965 0.913 1.00 41.51 H new ATOM 0 HB3 SER A 2 23.855 -13.018 0.221 1.00 41.51 H new ATOM 0 HG SER A 2 25.896 -12.573 -0.785 1.00 63.13 H new ATOM 21 N GLY A 3 22.675 -11.051 3.136 1.00 5.02 N ATOM 22 CA GLY A 3 21.628 -10.047 3.130 1.00 31.33 C ATOM 23 C GLY A 3 20.301 -10.590 3.623 1.00 14.51 C ATOM 24 O GLY A 3 19.985 -11.762 3.411 1.00 12.24 O ATOM 0 H GLY A 3 22.785 -11.550 4.019 1.00 5.02 H new ATOM 0 HA2 GLY A 3 21.930 -9.208 3.758 1.00 31.33 H new ATOM 0 HA3 GLY A 3 21.506 -9.660 2.118 1.00 31.33 H new ATOM 28 N MET A 4 19.522 -9.738 4.281 1.00 51.55 N ATOM 29 CA MET A 4 18.222 -10.139 4.805 1.00 51.14 C ATOM 30 C MET A 4 17.170 -10.150 3.701 1.00 52.23 C ATOM 31 O MET A 4 17.406 -9.652 2.599 1.00 50.10 O ATOM 32 CB MET A 4 17.788 -9.196 5.929 1.00 11.03 C ATOM 33 CG MET A 4 16.731 -9.788 6.846 1.00 1.15 C ATOM 34 SD MET A 4 16.952 -9.300 8.567 1.00 64.35 S ATOM 35 CE MET A 4 16.291 -10.732 9.414 1.00 33.40 C ATOM 0 H MET A 4 19.769 -8.765 4.464 1.00 51.55 H new ATOM 0 HA MET A 4 18.315 -11.149 5.203 1.00 51.14 H new ATOM 0 HB2 MET A 4 18.661 -8.925 6.522 1.00 11.03 H new ATOM 0 HB3 MET A 4 17.403 -8.275 5.491 1.00 11.03 H new ATOM 0 HG2 MET A 4 15.744 -9.473 6.507 1.00 1.15 H new ATOM 0 HG3 MET A 4 16.761 -10.875 6.774 1.00 1.15 H new ATOM 0 HE1 MET A 4 16.358 -10.581 10.491 1.00 33.40 H new ATOM 0 HE2 MET A 4 15.248 -10.872 9.132 1.00 33.40 H new ATOM 0 HE3 MET A 4 16.864 -11.616 9.135 1.00 33.40 H new ATOM 45 N LYS A 5 16.008 -10.721 4.002 1.00 31.03 N ATOM 46 CA LYS A 5 14.920 -10.796 3.034 1.00 2.22 C ATOM 47 C LYS A 5 13.600 -10.366 3.665 1.00 51.41 C ATOM 48 O LYS A 5 13.076 -11.038 4.554 1.00 72.14 O ATOM 49 CB LYS A 5 14.796 -12.219 2.484 1.00 15.00 C ATOM 50 CG LYS A 5 14.424 -13.247 3.539 1.00 33.32 C ATOM 51 CD LYS A 5 14.879 -14.642 3.140 1.00 71.24 C ATOM 52 CE LYS A 5 14.649 -15.644 4.260 1.00 11.02 C ATOM 53 NZ LYS A 5 13.389 -16.414 4.067 1.00 64.20 N ATOM 0 H LYS A 5 15.796 -11.138 4.908 1.00 31.03 H new ATOM 0 HA LYS A 5 15.149 -10.115 2.214 1.00 2.22 H new ATOM 0 HB2 LYS A 5 14.043 -12.231 1.696 1.00 15.00 H new ATOM 0 HB3 LYS A 5 15.742 -12.507 2.026 1.00 15.00 H new ATOM 0 HG2 LYS A 5 14.878 -12.973 4.492 1.00 33.32 H new ATOM 0 HG3 LYS A 5 13.344 -13.244 3.688 1.00 33.32 H new ATOM 0 HD2 LYS A 5 14.339 -14.961 2.248 1.00 71.24 H new ATOM 0 HD3 LYS A 5 15.938 -14.621 2.881 1.00 71.24 H new ATOM 0 HE2 LYS A 5 15.492 -16.333 4.309 1.00 11.02 H new ATOM 0 HE3 LYS A 5 14.611 -15.119 5.214 1.00 11.02 H new ATOM 0 HZ1 LYS A 5 13.269 -17.086 4.852 1.00 64.20 H new ATOM 0 HZ2 LYS A 5 12.582 -15.759 4.046 1.00 64.20 H new ATOM 0 HZ3 LYS A 5 13.435 -16.936 3.168 1.00 64.20 H new ATOM 67 N GLU A 6 13.066 -9.240 3.200 1.00 3.51 N ATOM 68 CA GLU A 6 11.807 -8.720 3.719 1.00 50.31 C ATOM 69 C GLU A 6 10.790 -8.537 2.596 1.00 74.12 C ATOM 70 O GLU A 6 11.087 -7.923 1.572 1.00 31.42 O ATOM 71 CB GLU A 6 12.038 -7.388 4.436 1.00 21.23 C ATOM 72 CG GLU A 6 12.657 -7.539 5.816 1.00 4.32 C ATOM 73 CD GLU A 6 12.160 -6.494 6.795 1.00 5.03 C ATOM 74 OE1 GLU A 6 11.032 -5.992 6.606 1.00 64.32 O ATOM 75 OE2 GLU A 6 12.898 -6.178 7.752 1.00 25.31 O ATOM 0 H GLU A 6 13.486 -8.671 2.465 1.00 3.51 H new ATOM 0 HA GLU A 6 11.409 -9.443 4.431 1.00 50.31 H new ATOM 0 HB2 GLU A 6 12.686 -6.762 3.823 1.00 21.23 H new ATOM 0 HB3 GLU A 6 11.086 -6.865 4.529 1.00 21.23 H new ATOM 0 HG2 GLU A 6 12.431 -8.532 6.205 1.00 4.32 H new ATOM 0 HG3 GLU A 6 13.742 -7.468 5.734 1.00 4.32 H new ATOM 82 N PHE A 7 9.591 -9.073 2.797 1.00 12.34 N ATOM 83 CA PHE A 7 8.529 -8.968 1.801 1.00 72.33 C ATOM 84 C PHE A 7 7.234 -8.476 2.442 1.00 64.42 C ATOM 85 O PHE A 7 7.134 -8.382 3.665 1.00 12.34 O ATOM 86 CB PHE A 7 8.289 -10.321 1.119 1.00 10.32 C ATOM 87 CG PHE A 7 9.468 -11.254 1.176 1.00 63.12 C ATOM 88 CD1 PHE A 7 10.706 -10.857 0.699 1.00 14.34 C ATOM 89 CD2 PHE A 7 9.334 -12.527 1.707 1.00 51.23 C ATOM 90 CE1 PHE A 7 11.790 -11.713 0.750 1.00 1.23 C ATOM 91 CE2 PHE A 7 10.414 -13.387 1.760 1.00 21.01 C ATOM 92 CZ PHE A 7 11.644 -12.980 1.282 1.00 33.20 C ATOM 0 H PHE A 7 9.330 -9.584 3.640 1.00 12.34 H new ATOM 0 HA PHE A 7 8.846 -8.246 1.049 1.00 72.33 H new ATOM 0 HB2 PHE A 7 7.433 -10.806 1.588 1.00 10.32 H new ATOM 0 HB3 PHE A 7 8.026 -10.148 0.075 1.00 10.32 H new ATOM 0 HD1 PHE A 7 10.826 -9.868 0.283 1.00 14.34 H new ATOM 0 HD2 PHE A 7 8.375 -12.850 2.084 1.00 51.23 H new ATOM 0 HE1 PHE A 7 12.750 -11.392 0.374 1.00 1.23 H new ATOM 0 HE2 PHE A 7 10.296 -14.377 2.175 1.00 21.01 H new ATOM 0 HZ PHE A 7 12.490 -13.650 1.324 1.00 33.20 H new ATOM 102 N PRO A 8 6.219 -8.153 1.621 1.00 43.45 N ATOM 103 CA PRO A 8 4.929 -7.672 2.108 1.00 73.54 C ATOM 104 C PRO A 8 3.990 -8.816 2.470 1.00 53.23 C ATOM 105 O PRO A 8 4.412 -9.969 2.567 1.00 60.40 O ATOM 106 CB PRO A 8 4.394 -6.902 0.906 1.00 63.11 C ATOM 107 CG PRO A 8 4.914 -7.656 -0.270 1.00 22.45 C ATOM 108 CD PRO A 8 6.246 -8.235 0.146 1.00 2.34 C ATOM 0 HA PRO A 8 5.015 -7.080 3.019 1.00 73.54 H new ATOM 0 HB2 PRO A 8 3.305 -6.868 0.907 1.00 63.11 H new ATOM 0 HB3 PRO A 8 4.745 -5.870 0.905 1.00 63.11 H new ATOM 0 HG2 PRO A 8 4.222 -8.446 -0.561 1.00 22.45 H new ATOM 0 HG3 PRO A 8 5.029 -6.999 -1.132 1.00 22.45 H new ATOM 0 HD2 PRO A 8 6.360 -9.264 -0.196 1.00 2.34 H new ATOM 0 HD3 PRO A 8 7.077 -7.667 -0.271 1.00 2.34 H new ATOM 116 N CYS A 9 2.716 -8.497 2.659 1.00 73.50 N ATOM 117 CA CYS A 9 1.723 -9.508 2.999 1.00 71.31 C ATOM 118 C CYS A 9 0.864 -9.851 1.787 1.00 50.22 C ATOM 119 O CYS A 9 0.376 -10.973 1.659 1.00 63.45 O ATOM 120 CB CYS A 9 0.839 -9.030 4.155 1.00 35.35 C ATOM 121 SG CYS A 9 -0.249 -7.626 3.745 1.00 61.45 S ATOM 0 H CYS A 9 2.347 -7.549 2.583 1.00 73.50 H new ATOM 0 HA CYS A 9 2.252 -10.407 3.314 1.00 71.31 H new ATOM 0 HB2 CYS A 9 0.223 -9.863 4.493 1.00 35.35 H new ATOM 0 HB3 CYS A 9 1.478 -8.746 4.991 1.00 35.35 H new ATOM 126 N TRP A 10 0.681 -8.878 0.899 1.00 35.33 N ATOM 127 CA TRP A 10 -0.123 -9.082 -0.300 1.00 21.04 C ATOM 128 C TRP A 10 0.569 -10.025 -1.278 1.00 44.23 C ATOM 129 O TRP A 10 -0.075 -10.611 -2.149 1.00 71.43 O ATOM 130 CB TRP A 10 -0.420 -7.745 -0.987 1.00 52.13 C ATOM 131 CG TRP A 10 0.772 -6.846 -1.123 1.00 25.45 C ATOM 132 CD1 TRP A 10 1.205 -5.916 -0.223 1.00 32.30 C ATOM 133 CD2 TRP A 10 1.674 -6.779 -2.233 1.00 64.51 C ATOM 134 NE1 TRP A 10 2.318 -5.274 -0.705 1.00 32.22 N ATOM 135 CE2 TRP A 10 2.629 -5.787 -1.936 1.00 35.24 C ATOM 136 CE3 TRP A 10 1.769 -7.461 -3.449 1.00 40.54 C ATOM 137 CZ2 TRP A 10 3.662 -5.462 -2.811 1.00 5.42 C ATOM 138 CZ3 TRP A 10 2.795 -7.138 -4.316 1.00 23.13 C ATOM 139 CH2 TRP A 10 3.731 -6.146 -3.993 1.00 22.11 C ATOM 0 H TRP A 10 1.078 -7.943 0.987 1.00 35.33 H new ATOM 0 HA TRP A 10 -1.063 -9.538 0.010 1.00 21.04 H new ATOM 0 HB2 TRP A 10 -0.828 -7.941 -1.979 1.00 52.13 H new ATOM 0 HB3 TRP A 10 -1.192 -7.223 -0.422 1.00 52.13 H new ATOM 0 HD1 TRP A 10 0.739 -5.714 0.730 1.00 32.30 H new ATOM 0 HE1 TRP A 10 2.830 -4.535 -0.224 1.00 32.22 H new ATOM 0 HE3 TRP A 10 1.053 -8.227 -3.707 1.00 40.54 H new ATOM 0 HZ2 TRP A 10 4.383 -4.697 -2.565 1.00 5.42 H new ATOM 0 HZ3 TRP A 10 2.877 -7.659 -5.259 1.00 23.13 H new ATOM 0 HH2 TRP A 10 4.522 -5.917 -4.691 1.00 22.11 H new ATOM 150 N LEU A 11 1.881 -10.173 -1.131 1.00 50.21 N ATOM 151 CA LEU A 11 2.649 -11.049 -2.005 1.00 53.45 C ATOM 152 C LEU A 11 2.502 -12.511 -1.591 1.00 25.11 C ATOM 153 O LEU A 11 2.786 -13.417 -2.374 1.00 5.44 O ATOM 154 CB LEU A 11 4.122 -10.640 -2.001 1.00 42.15 C ATOM 155 CG LEU A 11 4.460 -9.466 -2.921 1.00 3.45 C ATOM 156 CD1 LEU A 11 5.931 -9.092 -2.799 1.00 40.54 C ATOM 157 CD2 LEU A 11 4.111 -9.807 -4.362 1.00 3.13 C ATOM 0 H LEU A 11 2.433 -9.699 -0.416 1.00 50.21 H new ATOM 0 HA LEU A 11 2.256 -10.946 -3.016 1.00 53.45 H new ATOM 0 HB2 LEU A 11 4.411 -10.381 -0.982 1.00 42.15 H new ATOM 0 HB3 LEU A 11 4.725 -11.499 -2.294 1.00 42.15 H new ATOM 0 HG LEU A 11 3.865 -8.605 -2.615 1.00 3.45 H new ATOM 0 HD11 LEU A 11 6.150 -8.255 -3.462 1.00 40.54 H new ATOM 0 HD12 LEU A 11 6.150 -8.807 -1.770 1.00 40.54 H new ATOM 0 HD13 LEU A 11 6.548 -9.946 -3.078 1.00 40.54 H new ATOM 0 HD21 LEU A 11 4.357 -8.962 -5.006 1.00 3.13 H new ATOM 0 HD22 LEU A 11 4.681 -10.681 -4.677 1.00 3.13 H new ATOM 0 HD23 LEU A 11 3.045 -10.022 -4.437 1.00 3.13 H new ATOM 169 N VAL A 12 2.053 -12.736 -0.359 1.00 72.05 N ATOM 170 CA VAL A 12 1.865 -14.092 0.150 1.00 61.41 C ATOM 171 C VAL A 12 0.468 -14.283 0.745 1.00 70.23 C ATOM 172 O VAL A 12 0.142 -15.361 1.240 1.00 21.03 O ATOM 173 CB VAL A 12 2.918 -14.446 1.219 1.00 12.31 C ATOM 174 CG1 VAL A 12 4.227 -14.857 0.561 1.00 64.41 C ATOM 175 CG2 VAL A 12 3.135 -13.280 2.173 1.00 31.11 C ATOM 0 H VAL A 12 1.813 -11.999 0.304 1.00 72.05 H new ATOM 0 HA VAL A 12 1.983 -14.760 -0.703 1.00 61.41 H new ATOM 0 HB VAL A 12 2.546 -15.290 1.800 1.00 12.31 H new ATOM 0 HG11 VAL A 12 4.959 -15.103 1.330 1.00 64.41 H new ATOM 0 HG12 VAL A 12 4.058 -15.728 -0.072 1.00 64.41 H new ATOM 0 HG13 VAL A 12 4.603 -14.034 -0.047 1.00 64.41 H new ATOM 0 HG21 VAL A 12 3.882 -13.554 2.918 1.00 31.11 H new ATOM 0 HG22 VAL A 12 3.482 -12.412 1.613 1.00 31.11 H new ATOM 0 HG23 VAL A 12 2.196 -13.039 2.672 1.00 31.11 H new ATOM 185 N GLU A 13 -0.355 -13.236 0.692 1.00 30.51 N ATOM 186 CA GLU A 13 -1.713 -13.301 1.227 1.00 62.23 C ATOM 187 C GLU A 13 -2.684 -12.542 0.329 1.00 71.05 C ATOM 188 O GLU A 13 -2.281 -11.911 -0.648 1.00 13.44 O ATOM 189 CB GLU A 13 -1.764 -12.715 2.641 1.00 35.34 C ATOM 190 CG GLU A 13 -0.827 -13.397 3.624 1.00 12.21 C ATOM 191 CD GLU A 13 0.083 -12.420 4.344 1.00 22.13 C ATOM 192 OE1 GLU A 13 -0.377 -11.788 5.317 1.00 73.20 O ATOM 193 OE2 GLU A 13 1.255 -12.289 3.934 1.00 73.11 O ATOM 0 H GLU A 13 -0.105 -12.335 0.285 1.00 30.51 H new ATOM 0 HA GLU A 13 -2.007 -14.350 1.263 1.00 62.23 H new ATOM 0 HB2 GLU A 13 -1.516 -11.655 2.594 1.00 35.34 H new ATOM 0 HB3 GLU A 13 -2.785 -12.787 3.017 1.00 35.34 H new ATOM 0 HG2 GLU A 13 -1.416 -13.947 4.358 1.00 12.21 H new ATOM 0 HG3 GLU A 13 -0.219 -14.128 3.091 1.00 12.21 H new ATOM 200 N GLU A 14 -3.966 -12.596 0.676 1.00 64.30 N ATOM 201 CA GLU A 14 -4.996 -11.903 -0.090 1.00 13.44 C ATOM 202 C GLU A 14 -5.224 -10.509 0.479 1.00 41.45 C ATOM 203 O GLU A 14 -5.606 -10.360 1.640 1.00 52.02 O ATOM 204 CB GLU A 14 -6.306 -12.692 -0.075 1.00 52.51 C ATOM 205 CG GLU A 14 -6.119 -14.200 -0.032 1.00 60.12 C ATOM 206 CD GLU A 14 -7.435 -14.951 -0.027 1.00 4.11 C ATOM 207 OE1 GLU A 14 -8.033 -15.098 1.060 1.00 61.43 O ATOM 208 OE2 GLU A 14 -7.871 -15.394 -1.112 1.00 13.01 O ATOM 0 H GLU A 14 -4.316 -13.112 1.483 1.00 64.30 H new ATOM 0 HA GLU A 14 -4.655 -11.817 -1.122 1.00 13.44 H new ATOM 0 HB2 GLU A 14 -6.894 -12.384 0.790 1.00 52.51 H new ATOM 0 HB3 GLU A 14 -6.884 -12.433 -0.962 1.00 52.51 H new ATOM 0 HG2 GLU A 14 -5.529 -14.514 -0.893 1.00 60.12 H new ATOM 0 HG3 GLU A 14 -5.550 -14.466 0.858 1.00 60.12 H new ATOM 215 N PHE A 15 -4.980 -9.493 -0.338 1.00 62.02 N ATOM 216 CA PHE A 15 -5.149 -8.111 0.096 1.00 62.31 C ATOM 217 C PHE A 15 -6.419 -7.495 -0.479 1.00 64.22 C ATOM 218 O PHE A 15 -6.922 -7.925 -1.515 1.00 62.13 O ATOM 219 CB PHE A 15 -3.929 -7.277 -0.305 1.00 15.21 C ATOM 220 CG PHE A 15 -3.899 -6.900 -1.761 1.00 71.32 C ATOM 221 CD1 PHE A 15 -4.582 -5.783 -2.212 1.00 11.34 C ATOM 222 CD2 PHE A 15 -3.188 -7.662 -2.674 1.00 73.42 C ATOM 223 CE1 PHE A 15 -4.556 -5.431 -3.548 1.00 35.01 C ATOM 224 CE2 PHE A 15 -3.159 -7.316 -4.012 1.00 0.35 C ATOM 225 CZ PHE A 15 -3.844 -6.198 -4.448 1.00 31.13 C ATOM 0 H PHE A 15 -4.665 -9.598 -1.302 1.00 62.02 H new ATOM 0 HA PHE A 15 -5.241 -8.112 1.182 1.00 62.31 H new ATOM 0 HB2 PHE A 15 -3.910 -6.368 0.296 1.00 15.21 H new ATOM 0 HB3 PHE A 15 -3.025 -7.836 -0.066 1.00 15.21 H new ATOM 0 HD1 PHE A 15 -5.141 -5.180 -1.512 1.00 11.34 H new ATOM 0 HD2 PHE A 15 -2.651 -8.536 -2.337 1.00 73.42 H new ATOM 0 HE1 PHE A 15 -5.092 -4.557 -3.887 1.00 35.01 H new ATOM 0 HE2 PHE A 15 -2.602 -7.918 -4.715 1.00 0.35 H new ATOM 0 HZ PHE A 15 -3.822 -5.924 -5.493 1.00 31.13 H new ATOM 235 N VAL A 16 -6.925 -6.477 0.208 1.00 2.41 N ATOM 236 CA VAL A 16 -8.131 -5.786 -0.222 1.00 31.43 C ATOM 237 C VAL A 16 -7.969 -4.277 -0.082 1.00 22.11 C ATOM 238 O VAL A 16 -7.753 -3.767 1.017 1.00 75.14 O ATOM 239 CB VAL A 16 -9.363 -6.237 0.586 1.00 42.12 C ATOM 240 CG1 VAL A 16 -9.862 -7.586 0.093 1.00 43.11 C ATOM 241 CG2 VAL A 16 -9.038 -6.290 2.072 1.00 44.24 C ATOM 0 H VAL A 16 -6.516 -6.112 1.068 1.00 2.41 H new ATOM 0 HA VAL A 16 -8.287 -6.042 -1.270 1.00 31.43 H new ATOM 0 HB VAL A 16 -10.158 -5.506 0.438 1.00 42.12 H new ATOM 0 HG11 VAL A 16 -10.732 -7.887 0.676 1.00 43.11 H new ATOM 0 HG12 VAL A 16 -10.138 -7.510 -0.959 1.00 43.11 H new ATOM 0 HG13 VAL A 16 -9.073 -8.330 0.208 1.00 43.11 H new ATOM 0 HG21 VAL A 16 -9.920 -6.610 2.626 1.00 44.24 H new ATOM 0 HG22 VAL A 16 -8.226 -6.997 2.242 1.00 44.24 H new ATOM 0 HG23 VAL A 16 -8.735 -5.300 2.414 1.00 44.24 H new ATOM 251 N VAL A 17 -8.073 -3.566 -1.201 1.00 45.11 N ATOM 252 CA VAL A 17 -7.933 -2.115 -1.195 1.00 30.33 C ATOM 253 C VAL A 17 -8.968 -1.467 -0.283 1.00 63.52 C ATOM 254 O VAL A 17 -10.092 -1.190 -0.702 1.00 3.11 O ATOM 255 CB VAL A 17 -8.076 -1.528 -2.611 1.00 32.22 C ATOM 256 CG1 VAL A 17 -7.733 -0.046 -2.613 1.00 52.00 C ATOM 257 CG2 VAL A 17 -7.200 -2.287 -3.596 1.00 3.11 C ATOM 0 H VAL A 17 -8.253 -3.970 -2.120 1.00 45.11 H new ATOM 0 HA VAL A 17 -6.933 -1.897 -0.820 1.00 30.33 H new ATOM 0 HB VAL A 17 -9.114 -1.637 -2.925 1.00 32.22 H new ATOM 0 HG11 VAL A 17 -7.840 0.351 -3.623 1.00 52.00 H new ATOM 0 HG12 VAL A 17 -8.408 0.485 -1.941 1.00 52.00 H new ATOM 0 HG13 VAL A 17 -6.705 0.090 -2.277 1.00 52.00 H new ATOM 0 HG21 VAL A 17 -7.315 -1.857 -4.591 1.00 3.11 H new ATOM 0 HG22 VAL A 17 -6.157 -2.213 -3.287 1.00 3.11 H new ATOM 0 HG23 VAL A 17 -7.499 -3.335 -3.617 1.00 3.11 H new ATOM 267 N ALA A 18 -8.579 -1.219 0.963 1.00 24.25 N ATOM 268 CA ALA A 18 -9.471 -0.595 1.931 1.00 24.50 C ATOM 269 C ALA A 18 -9.371 0.923 1.854 1.00 10.51 C ATOM 270 O ALA A 18 -10.324 1.638 2.164 1.00 72.45 O ATOM 271 CB ALA A 18 -9.147 -1.078 3.337 1.00 51.34 C ATOM 0 H ALA A 18 -7.652 -1.441 1.326 1.00 24.25 H new ATOM 0 HA ALA A 18 -10.494 -0.883 1.691 1.00 24.50 H new ATOM 0 HB1 ALA A 18 -9.822 -0.603 4.049 1.00 51.34 H new ATOM 0 HB2 ALA A 18 -9.269 -2.160 3.387 1.00 51.34 H new ATOM 0 HB3 ALA A 18 -8.118 -0.817 3.583 1.00 51.34 H new ATOM 277 N GLU A 19 -8.207 1.408 1.435 1.00 44.14 N ATOM 278 CA GLU A 19 -7.970 2.840 1.310 1.00 31.20 C ATOM 279 C GLU A 19 -7.235 3.150 0.011 1.00 13.33 C ATOM 280 O GLU A 19 -6.096 2.727 -0.180 1.00 51.44 O ATOM 281 CB GLU A 19 -7.151 3.345 2.499 1.00 2.32 C ATOM 282 CG GLU A 19 -7.687 2.892 3.847 1.00 73.04 C ATOM 283 CD GLU A 19 -7.844 4.037 4.828 1.00 2.05 C ATOM 284 OE1 GLU A 19 -8.455 5.060 4.453 1.00 60.55 O ATOM 285 OE2 GLU A 19 -7.358 3.911 5.972 1.00 12.41 O ATOM 0 H GLU A 19 -7.410 0.827 1.175 1.00 44.14 H new ATOM 0 HA GLU A 19 -8.935 3.347 1.298 1.00 31.20 H new ATOM 0 HB2 GLU A 19 -6.122 3.001 2.393 1.00 2.32 H new ATOM 0 HB3 GLU A 19 -7.126 4.434 2.475 1.00 2.32 H new ATOM 0 HG2 GLU A 19 -8.652 2.406 3.705 1.00 73.04 H new ATOM 0 HG3 GLU A 19 -7.013 2.147 4.270 1.00 73.04 H new ATOM 292 N GLU A 20 -7.886 3.892 -0.881 1.00 40.43 N ATOM 293 CA GLU A 20 -7.275 4.253 -2.160 1.00 21.44 C ATOM 294 C GLU A 20 -5.871 4.804 -1.947 1.00 4.42 C ATOM 295 O GLU A 20 -5.463 5.061 -0.814 1.00 22.04 O ATOM 296 CB GLU A 20 -8.130 5.282 -2.905 1.00 70.02 C ATOM 297 CG GLU A 20 -8.850 6.263 -1.994 1.00 42.32 C ATOM 298 CD GLU A 20 -10.297 5.879 -1.752 1.00 42.34 C ATOM 299 OE1 GLU A 20 -10.590 4.666 -1.700 1.00 12.54 O ATOM 300 OE2 GLU A 20 -11.138 6.793 -1.612 1.00 64.14 O ATOM 0 H GLU A 20 -8.830 4.254 -0.745 1.00 40.43 H new ATOM 0 HA GLU A 20 -7.213 3.349 -2.766 1.00 21.44 H new ATOM 0 HB2 GLU A 20 -7.493 5.840 -3.591 1.00 70.02 H new ATOM 0 HB3 GLU A 20 -8.868 4.756 -3.511 1.00 70.02 H new ATOM 0 HG2 GLU A 20 -8.328 6.317 -1.039 1.00 42.32 H new ATOM 0 HG3 GLU A 20 -8.811 7.259 -2.435 1.00 42.32 H new ATOM 307 N CYS A 21 -5.130 4.973 -3.034 1.00 30.53 N ATOM 308 CA CYS A 21 -3.770 5.480 -2.938 1.00 64.42 C ATOM 309 C CYS A 21 -3.730 6.995 -3.107 1.00 40.01 C ATOM 310 O CYS A 21 -4.491 7.566 -3.887 1.00 62.45 O ATOM 311 CB CYS A 21 -2.866 4.802 -3.966 1.00 45.44 C ATOM 312 SG CYS A 21 -3.261 5.191 -5.699 1.00 71.30 S ATOM 0 H CYS A 21 -5.444 4.769 -3.983 1.00 30.53 H new ATOM 0 HA CYS A 21 -3.398 5.244 -1.941 1.00 64.42 H new ATOM 0 HB2 CYS A 21 -1.834 5.091 -3.769 1.00 45.44 H new ATOM 0 HB3 CYS A 21 -2.926 3.723 -3.827 1.00 45.44 H new ATOM 317 N SER A 22 -2.838 7.638 -2.358 1.00 65.32 N ATOM 318 CA SER A 22 -2.695 9.088 -2.409 1.00 10.12 C ATOM 319 C SER A 22 -1.226 9.499 -2.472 1.00 65.14 C ATOM 320 O SER A 22 -0.335 8.695 -2.200 1.00 32.50 O ATOM 321 CB SER A 22 -3.364 9.730 -1.191 1.00 25.22 C ATOM 322 OG SER A 22 -4.412 8.916 -0.696 1.00 65.11 O ATOM 0 H SER A 22 -2.203 7.176 -1.708 1.00 65.32 H new ATOM 0 HA SER A 22 -3.186 9.440 -3.316 1.00 10.12 H new ATOM 0 HB2 SER A 22 -2.623 9.890 -0.408 1.00 25.22 H new ATOM 0 HB3 SER A 22 -3.758 10.709 -1.463 1.00 25.22 H new ATOM 0 HG SER A 22 -4.822 9.348 0.083 1.00 65.11 H new ATOM 328 N PRO A 23 -0.957 10.766 -2.837 1.00 12.03 N ATOM 329 CA PRO A 23 0.409 11.290 -2.942 1.00 21.13 C ATOM 330 C PRO A 23 1.287 10.903 -1.758 1.00 45.21 C ATOM 331 O PRO A 23 0.789 10.574 -0.681 1.00 51.53 O ATOM 332 CB PRO A 23 0.194 12.802 -2.981 1.00 35.35 C ATOM 333 CG PRO A 23 -1.144 12.971 -3.613 1.00 55.13 C ATOM 334 CD PRO A 23 -1.967 11.789 -3.171 1.00 54.30 C ATOM 0 HA PRO A 23 0.932 10.890 -3.811 1.00 21.13 H new ATOM 0 HB2 PRO A 23 0.218 13.232 -1.980 1.00 35.35 H new ATOM 0 HB3 PRO A 23 0.972 13.299 -3.560 1.00 35.35 H new ATOM 0 HG2 PRO A 23 -1.607 13.907 -3.301 1.00 55.13 H new ATOM 0 HG3 PRO A 23 -1.061 13.004 -4.699 1.00 55.13 H new ATOM 0 HD2 PRO A 23 -2.589 12.034 -2.310 1.00 54.30 H new ATOM 0 HD3 PRO A 23 -2.636 11.449 -3.961 1.00 54.30 H new ATOM 342 N CYS A 24 2.598 10.947 -1.969 1.00 64.21 N ATOM 343 CA CYS A 24 3.557 10.602 -0.927 1.00 41.12 C ATOM 344 C CYS A 24 4.296 11.841 -0.436 1.00 42.30 C ATOM 345 O CYS A 24 4.956 12.532 -1.213 1.00 75.22 O ATOM 346 CB CYS A 24 4.558 9.575 -1.457 1.00 22.43 C ATOM 347 SG CYS A 24 3.828 7.949 -1.833 1.00 62.54 S ATOM 0 H CYS A 24 3.022 11.219 -2.856 1.00 64.21 H new ATOM 0 HA CYS A 24 3.010 10.173 -0.088 1.00 41.12 H new ATOM 0 HB2 CYS A 24 5.023 9.970 -2.360 1.00 22.43 H new ATOM 0 HB3 CYS A 24 5.351 9.444 -0.721 1.00 22.43 H new ATOM 352 N SER A 25 4.182 12.116 0.858 1.00 62.44 N ATOM 353 CA SER A 25 4.841 13.272 1.455 1.00 2.22 C ATOM 354 C SER A 25 6.355 13.180 1.286 1.00 70.25 C ATOM 355 O SER A 25 6.854 12.360 0.515 1.00 14.45 O ATOM 356 CB SER A 25 4.486 13.376 2.940 1.00 74.44 C ATOM 357 OG SER A 25 4.322 14.727 3.332 1.00 60.02 O ATOM 0 H SER A 25 3.639 11.554 1.514 1.00 62.44 H new ATOM 0 HA SER A 25 4.490 14.167 0.942 1.00 2.22 H new ATOM 0 HB2 SER A 25 3.568 12.823 3.137 1.00 74.44 H new ATOM 0 HB3 SER A 25 5.271 12.913 3.538 1.00 74.44 H new ATOM 0 HG SER A 25 4.094 14.766 4.284 1.00 60.02 H new ATOM 363 N ASN A 26 7.080 14.027 2.009 1.00 2.45 N ATOM 364 CA ASN A 26 8.537 14.041 1.937 1.00 61.34 C ATOM 365 C ASN A 26 9.124 12.756 2.514 1.00 52.52 C ATOM 366 O ASN A 26 10.193 12.311 2.098 1.00 3.14 O ATOM 367 CB ASN A 26 9.093 15.252 2.688 1.00 2.43 C ATOM 368 CG ASN A 26 8.797 16.559 1.978 1.00 24.53 C ATOM 369 OD1 ASN A 26 8.825 16.631 0.750 1.00 4.30 O ATOM 370 ND2 ASN A 26 8.512 17.600 2.751 1.00 71.53 N ATOM 0 H ASN A 26 6.683 14.713 2.651 1.00 2.45 H new ATOM 0 HA ASN A 26 8.823 14.109 0.888 1.00 61.34 H new ATOM 0 HB2 ASN A 26 8.666 15.282 3.691 1.00 2.43 H new ATOM 0 HB3 ASN A 26 10.171 15.141 2.804 1.00 2.43 H new ATOM 0 HD21 ASN A 26 8.305 18.506 2.330 1.00 71.53 H new ATOM 0 HD22 ASN A 26 8.500 17.494 3.765 1.00 71.53 H new ATOM 377 N PHE A 27 8.421 12.167 3.476 1.00 41.14 N ATOM 378 CA PHE A 27 8.876 10.935 4.110 1.00 41.32 C ATOM 379 C PHE A 27 8.352 9.711 3.366 1.00 71.23 C ATOM 380 O PHE A 27 9.013 8.674 3.314 1.00 42.14 O ATOM 381 CB PHE A 27 8.424 10.891 5.571 1.00 24.41 C ATOM 382 CG PHE A 27 9.431 11.460 6.529 1.00 14.35 C ATOM 383 CD1 PHE A 27 10.623 10.799 6.775 1.00 64.20 C ATOM 384 CD2 PHE A 27 9.185 12.656 7.183 1.00 4.42 C ATOM 385 CE1 PHE A 27 11.552 11.320 7.655 1.00 5.30 C ATOM 386 CE2 PHE A 27 10.109 13.183 8.066 1.00 72.30 C ATOM 387 CZ PHE A 27 11.295 12.513 8.301 1.00 64.12 C ATOM 0 H PHE A 27 7.534 12.523 3.833 1.00 41.14 H new ATOM 0 HA PHE A 27 9.965 10.920 4.073 1.00 41.32 H new ATOM 0 HB2 PHE A 27 7.489 11.442 5.670 1.00 24.41 H new ATOM 0 HB3 PHE A 27 8.216 9.857 5.847 1.00 24.41 H new ATOM 0 HD1 PHE A 27 10.829 9.865 6.273 1.00 64.20 H new ATOM 0 HD2 PHE A 27 8.260 13.183 7.001 1.00 4.42 H new ATOM 0 HE1 PHE A 27 12.478 10.795 7.837 1.00 5.30 H new ATOM 0 HE2 PHE A 27 9.905 14.116 8.571 1.00 72.30 H new ATOM 0 HZ PHE A 27 12.020 12.922 8.989 1.00 64.12 H new ATOM 397 N ARG A 28 7.160 9.838 2.793 1.00 22.22 N ATOM 398 CA ARG A 28 6.546 8.741 2.053 1.00 53.32 C ATOM 399 C ARG A 28 7.356 8.403 0.804 1.00 23.30 C ATOM 400 O ARG A 28 7.706 7.247 0.573 1.00 30.43 O ATOM 401 CB ARG A 28 5.115 9.103 1.657 1.00 15.32 C ATOM 402 CG ARG A 28 4.172 9.256 2.837 1.00 53.34 C ATOM 403 CD ARG A 28 3.639 7.911 3.302 1.00 33.12 C ATOM 404 NE ARG A 28 4.485 7.313 4.332 1.00 10.41 N ATOM 405 CZ ARG A 28 4.477 7.689 5.609 1.00 5.44 C ATOM 406 NH1 ARG A 28 3.667 8.660 6.017 1.00 3.24 N ATOM 407 NH2 ARG A 28 5.277 7.093 6.481 1.00 51.31 N ATOM 0 H ARG A 28 6.600 10.690 2.827 1.00 22.22 H new ATOM 0 HA ARG A 28 6.529 7.866 2.703 1.00 53.32 H new ATOM 0 HB2 ARG A 28 5.129 10.035 1.092 1.00 15.32 H new ATOM 0 HB3 ARG A 28 4.726 8.333 0.991 1.00 15.32 H new ATOM 0 HG2 ARG A 28 4.693 9.746 3.659 1.00 53.34 H new ATOM 0 HG3 ARG A 28 3.339 9.902 2.557 1.00 53.34 H new ATOM 0 HD2 ARG A 28 2.628 8.036 3.691 1.00 33.12 H new ATOM 0 HD3 ARG A 28 3.571 7.234 2.450 1.00 33.12 H new ATOM 0 HE ARG A 28 5.119 6.563 4.056 1.00 10.41 H new ATOM 0 HH11 ARG A 28 3.047 9.121 5.351 1.00 3.24 H new ATOM 0 HH12 ARG A 28 3.665 8.944 6.997 1.00 3.24 H new ATOM 0 HH21 ARG A 28 5.900 6.346 6.174 1.00 51.31 H new ATOM 0 HH22 ARG A 28 5.270 7.382 7.459 1.00 51.31 H new ATOM 421 N ALA A 29 7.648 9.421 0.001 1.00 64.15 N ATOM 422 CA ALA A 29 8.412 9.232 -1.227 1.00 43.54 C ATOM 423 C ALA A 29 9.761 8.575 -0.952 1.00 41.43 C ATOM 424 O ALA A 29 10.339 7.933 -1.829 1.00 0.32 O ATOM 425 CB ALA A 29 8.609 10.566 -1.933 1.00 22.10 C ATOM 0 H ALA A 29 7.367 10.385 0.179 1.00 64.15 H new ATOM 0 HA ALA A 29 7.844 8.565 -1.875 1.00 43.54 H new ATOM 0 HB1 ALA A 29 9.181 10.412 -2.848 1.00 22.10 H new ATOM 0 HB2 ALA A 29 7.637 10.994 -2.180 1.00 22.10 H new ATOM 0 HB3 ALA A 29 9.150 11.248 -1.277 1.00 22.10 H new ATOM 431 N LYS A 30 10.262 8.739 0.270 1.00 63.32 N ATOM 432 CA LYS A 30 11.546 8.161 0.650 1.00 21.21 C ATOM 433 C LYS A 30 11.365 6.779 1.271 1.00 71.31 C ATOM 434 O LYS A 30 11.843 5.780 0.735 1.00 20.25 O ATOM 435 CB LYS A 30 12.271 9.083 1.634 1.00 54.31 C ATOM 436 CG LYS A 30 12.820 10.345 0.992 1.00 43.22 C ATOM 437 CD LYS A 30 14.042 10.860 1.735 1.00 73.04 C ATOM 438 CE LYS A 30 13.657 11.533 3.042 1.00 54.22 C ATOM 439 NZ LYS A 30 14.840 11.778 3.912 1.00 13.54 N ATOM 0 H LYS A 30 9.799 9.266 1.011 1.00 63.32 H new ATOM 0 HA LYS A 30 12.147 8.055 -0.253 1.00 21.21 H new ATOM 0 HB2 LYS A 30 11.583 9.361 2.433 1.00 54.31 H new ATOM 0 HB3 LYS A 30 13.091 8.534 2.096 1.00 54.31 H new ATOM 0 HG2 LYS A 30 13.083 10.142 -0.046 1.00 43.22 H new ATOM 0 HG3 LYS A 30 12.048 11.115 0.981 1.00 43.22 H new ATOM 0 HD2 LYS A 30 14.722 10.032 1.937 1.00 73.04 H new ATOM 0 HD3 LYS A 30 14.581 11.568 1.105 1.00 73.04 H new ATOM 0 HE2 LYS A 30 13.161 12.480 2.830 1.00 54.22 H new ATOM 0 HE3 LYS A 30 12.939 10.909 3.574 1.00 54.22 H new ATOM 0 HZ1 LYS A 30 14.534 12.238 4.793 1.00 13.54 H new ATOM 0 HZ2 LYS A 30 15.300 10.872 4.136 1.00 13.54 H new ATOM 0 HZ3 LYS A 30 15.514 12.395 3.416 1.00 13.54 H new ATOM 453 N THR A 31 10.675 6.730 2.406 1.00 61.53 N ATOM 454 CA THR A 31 10.435 5.471 3.103 1.00 13.24 C ATOM 455 C THR A 31 9.643 4.502 2.230 1.00 42.45 C ATOM 456 O THR A 31 10.055 3.362 2.021 1.00 34.10 O ATOM 457 CB THR A 31 9.684 5.725 4.411 1.00 11.02 C ATOM 458 OG1 THR A 31 8.462 6.399 4.166 1.00 32.44 O ATOM 459 CG2 THR A 31 10.474 6.552 5.403 1.00 22.32 C ATOM 0 H THR A 31 10.272 7.548 2.863 1.00 61.53 H new ATOM 0 HA THR A 31 11.402 5.020 3.326 1.00 13.24 H new ATOM 0 HB THR A 31 9.511 4.738 4.841 1.00 11.02 H new ATOM 0 HG1 THR A 31 8.612 7.367 4.190 1.00 32.44 H new ATOM 0 HG21 THR A 31 9.884 6.695 6.308 1.00 22.32 H new ATOM 0 HG22 THR A 31 11.401 6.035 5.652 1.00 22.32 H new ATOM 0 HG23 THR A 31 10.707 7.522 4.964 1.00 22.32 H new ATOM 467 N THR A 32 8.503 4.963 1.726 1.00 45.15 N ATOM 468 CA THR A 32 7.650 4.136 0.879 1.00 43.11 C ATOM 469 C THR A 32 8.148 4.137 -0.567 1.00 2.54 C ATOM 470 O THR A 32 8.081 5.157 -1.252 1.00 63.31 O ATOM 471 CB THR A 32 6.207 4.638 0.931 1.00 61.10 C ATOM 472 OG1 THR A 32 5.753 4.720 2.270 1.00 32.05 O ATOM 473 CG2 THR A 32 5.239 3.759 0.170 1.00 2.45 C ATOM 0 H THR A 32 8.148 5.905 1.889 1.00 45.15 H new ATOM 0 HA THR A 32 7.688 3.114 1.257 1.00 43.11 H new ATOM 0 HB THR A 32 6.226 5.621 0.460 1.00 61.10 H new ATOM 0 HG1 THR A 32 4.828 5.045 2.283 1.00 32.05 H new ATOM 0 HG21 THR A 32 4.234 4.173 0.248 1.00 2.45 H new ATOM 0 HG22 THR A 32 5.533 3.716 -0.879 1.00 2.45 H new ATOM 0 HG23 THR A 32 5.252 2.754 0.592 1.00 2.45 H new ATOM 481 N PRO A 33 8.655 2.988 -1.055 1.00 11.43 N ATOM 482 CA PRO A 33 9.159 2.868 -2.426 1.00 45.13 C ATOM 483 C PRO A 33 8.040 2.742 -3.457 1.00 31.43 C ATOM 484 O PRO A 33 8.300 2.645 -4.656 1.00 12.40 O ATOM 485 CB PRO A 33 9.981 1.584 -2.380 1.00 10.30 C ATOM 486 CG PRO A 33 9.314 0.754 -1.339 1.00 12.03 C ATOM 487 CD PRO A 33 8.775 1.717 -0.313 1.00 41.42 C ATOM 0 HA PRO A 33 9.722 3.750 -2.730 1.00 45.13 H new ATOM 0 HB2 PRO A 33 9.986 1.080 -3.347 1.00 10.30 H new ATOM 0 HB3 PRO A 33 11.020 1.787 -2.121 1.00 10.30 H new ATOM 0 HG2 PRO A 33 8.511 0.158 -1.772 1.00 12.03 H new ATOM 0 HG3 PRO A 33 10.019 0.057 -0.886 1.00 12.03 H new ATOM 0 HD2 PRO A 33 7.812 1.389 0.077 1.00 41.42 H new ATOM 0 HD3 PRO A 33 9.448 1.813 0.539 1.00 41.42 H new ATOM 495 N GLU A 34 6.796 2.740 -2.985 1.00 11.32 N ATOM 496 CA GLU A 34 5.644 2.623 -3.872 1.00 53.25 C ATOM 497 C GLU A 34 5.161 3.999 -4.335 1.00 10.23 C ATOM 498 O GLU A 34 3.968 4.206 -4.557 1.00 54.24 O ATOM 499 CB GLU A 34 4.509 1.875 -3.166 1.00 63.21 C ATOM 500 CG GLU A 34 4.196 0.523 -3.785 1.00 20.42 C ATOM 501 CD GLU A 34 5.082 -0.583 -3.247 1.00 61.21 C ATOM 502 OE1 GLU A 34 5.252 -0.660 -2.012 1.00 20.23 O ATOM 503 OE2 GLU A 34 5.607 -1.372 -4.061 1.00 71.10 O ATOM 0 H GLU A 34 6.561 2.818 -1.995 1.00 11.32 H new ATOM 0 HA GLU A 34 5.951 2.059 -4.753 1.00 53.25 H new ATOM 0 HB2 GLU A 34 4.775 1.733 -2.118 1.00 63.21 H new ATOM 0 HB3 GLU A 34 3.610 2.492 -3.186 1.00 63.21 H new ATOM 0 HG2 GLU A 34 3.152 0.273 -3.594 1.00 20.42 H new ATOM 0 HG3 GLU A 34 4.316 0.586 -4.867 1.00 20.42 H new ATOM 510 N CYS A 35 6.096 4.932 -4.483 1.00 34.03 N ATOM 511 CA CYS A 35 5.768 6.283 -4.925 1.00 51.31 C ATOM 512 C CYS A 35 6.574 6.665 -6.167 1.00 2.43 C ATOM 513 O CYS A 35 6.587 7.826 -6.575 1.00 20.32 O ATOM 514 CB CYS A 35 6.038 7.289 -3.803 1.00 24.41 C ATOM 515 SG CYS A 35 5.437 6.759 -2.166 1.00 51.41 S ATOM 0 H CYS A 35 7.088 4.777 -4.303 1.00 34.03 H new ATOM 0 HA CYS A 35 4.709 6.305 -5.180 1.00 51.31 H new ATOM 0 HB2 CYS A 35 7.111 7.470 -3.743 1.00 24.41 H new ATOM 0 HB3 CYS A 35 5.568 8.238 -4.060 1.00 24.41 H new ATOM 520 N GLY A 36 7.248 5.684 -6.761 1.00 63.22 N ATOM 521 CA GLY A 36 8.046 5.943 -7.945 1.00 52.33 C ATOM 522 C GLY A 36 7.213 6.057 -9.209 1.00 55.01 C ATOM 523 O GLY A 36 7.372 7.009 -9.973 1.00 64.32 O ATOM 0 H GLY A 36 7.255 4.715 -6.443 1.00 63.22 H new ATOM 0 HA2 GLY A 36 8.608 6.866 -7.803 1.00 52.33 H new ATOM 0 HA3 GLY A 36 8.775 5.142 -8.068 1.00 52.33 H new ATOM 527 N PRO A 37 6.315 5.090 -9.466 1.00 73.14 N ATOM 528 CA PRO A 37 5.472 5.101 -10.661 1.00 23.15 C ATOM 529 C PRO A 37 4.316 6.101 -10.566 1.00 63.30 C ATOM 530 O PRO A 37 4.416 7.220 -11.068 1.00 0.41 O ATOM 531 CB PRO A 37 4.956 3.663 -10.747 1.00 62.32 C ATOM 532 CG PRO A 37 5.002 3.137 -9.351 1.00 11.42 C ATOM 533 CD PRO A 37 6.065 3.911 -8.616 1.00 1.33 C ATOM 0 HA PRO A 37 6.026 5.417 -11.545 1.00 23.15 H new ATOM 0 HB2 PRO A 37 3.941 3.634 -11.144 1.00 62.32 H new ATOM 0 HB3 PRO A 37 5.576 3.063 -11.413 1.00 62.32 H new ATOM 0 HG2 PRO A 37 4.034 3.255 -8.864 1.00 11.42 H new ATOM 0 HG3 PRO A 37 5.232 2.071 -9.349 1.00 11.42 H new ATOM 0 HD2 PRO A 37 5.728 4.203 -7.621 1.00 1.33 H new ATOM 0 HD3 PRO A 37 6.969 3.317 -8.485 1.00 1.33 H new ATOM 541 N THR A 38 3.220 5.694 -9.929 1.00 72.51 N ATOM 542 CA THR A 38 2.055 6.562 -9.785 1.00 5.33 C ATOM 543 C THR A 38 2.315 7.672 -8.775 1.00 31.43 C ATOM 544 O THR A 38 1.740 8.756 -8.870 1.00 73.30 O ATOM 545 CB THR A 38 0.837 5.749 -9.338 1.00 71.42 C ATOM 546 OG1 THR A 38 -0.260 6.602 -9.061 1.00 73.30 O ATOM 547 CG2 THR A 38 1.094 4.918 -8.099 1.00 44.04 C ATOM 0 H THR A 38 3.115 4.772 -9.506 1.00 72.51 H new ATOM 0 HA THR A 38 1.858 7.013 -10.758 1.00 5.33 H new ATOM 0 HB THR A 38 0.617 5.078 -10.168 1.00 71.42 H new ATOM 0 HG1 THR A 38 -0.973 6.088 -8.628 1.00 73.30 H new ATOM 0 HG21 THR A 38 0.191 4.367 -7.837 1.00 44.04 H new ATOM 0 HG22 THR A 38 1.904 4.215 -8.294 1.00 44.04 H new ATOM 0 HG23 THR A 38 1.372 5.573 -7.273 1.00 44.04 H new ATOM 555 N GLY A 39 3.162 7.388 -7.793 1.00 33.13 N ATOM 556 CA GLY A 39 3.451 8.367 -6.763 1.00 62.14 C ATOM 557 C GLY A 39 2.375 8.384 -5.691 1.00 14.14 C ATOM 558 O GLY A 39 2.467 9.131 -4.716 1.00 32.31 O ATOM 0 H GLY A 39 3.653 6.500 -7.692 1.00 33.13 H new ATOM 0 HA2 GLY A 39 4.416 8.143 -6.308 1.00 62.14 H new ATOM 0 HA3 GLY A 39 3.533 9.356 -7.213 1.00 62.14 H new ATOM 562 N TYR A 40 1.354 7.550 -5.879 1.00 12.43 N ATOM 563 CA TYR A 40 0.247 7.448 -4.941 1.00 72.12 C ATOM 564 C TYR A 40 0.295 6.097 -4.232 1.00 52.23 C ATOM 565 O TYR A 40 0.486 5.063 -4.871 1.00 63.24 O ATOM 566 CB TYR A 40 -1.081 7.596 -5.686 1.00 3.43 C ATOM 567 CG TYR A 40 -1.373 9.005 -6.160 1.00 2.20 C ATOM 568 CD1 TYR A 40 -0.427 9.737 -6.868 1.00 71.14 C ATOM 569 CD2 TYR A 40 -2.603 9.599 -5.904 1.00 11.45 C ATOM 570 CE1 TYR A 40 -0.697 11.019 -7.304 1.00 4.45 C ATOM 571 CE2 TYR A 40 -2.879 10.882 -6.339 1.00 41.14 C ATOM 572 CZ TYR A 40 -1.924 11.587 -7.037 1.00 61.44 C ATOM 573 OH TYR A 40 -2.196 12.864 -7.471 1.00 3.50 O ATOM 0 H TYR A 40 1.274 6.929 -6.684 1.00 12.43 H new ATOM 0 HA TYR A 40 0.331 8.244 -4.201 1.00 72.12 H new ATOM 0 HB2 TYR A 40 -1.078 6.928 -6.547 1.00 3.43 H new ATOM 0 HB3 TYR A 40 -1.890 7.270 -5.032 1.00 3.43 H new ATOM 0 HD1 TYR A 40 0.535 9.296 -7.081 1.00 71.14 H new ATOM 0 HD2 TYR A 40 -3.355 9.050 -5.357 1.00 11.45 H new ATOM 0 HE1 TYR A 40 0.050 11.574 -7.852 1.00 4.45 H new ATOM 0 HE2 TYR A 40 -3.840 11.330 -6.132 1.00 41.14 H new ATOM 0 HH TYR A 40 -3.104 13.114 -7.202 1.00 3.50 H new ATOM 583 N VAL A 41 0.125 6.102 -2.911 1.00 42.43 N ATOM 584 CA VAL A 41 0.162 4.860 -2.146 1.00 62.13 C ATOM 585 C VAL A 41 -1.155 4.597 -1.419 1.00 74.32 C ATOM 586 O VAL A 41 -1.665 5.456 -0.699 1.00 3.13 O ATOM 587 CB VAL A 41 1.309 4.862 -1.120 1.00 24.30 C ATOM 588 CG1 VAL A 41 2.650 5.006 -1.820 1.00 2.21 C ATOM 589 CG2 VAL A 41 1.112 5.968 -0.093 1.00 64.44 C ATOM 0 H VAL A 41 -0.038 6.942 -2.355 1.00 42.43 H new ATOM 0 HA VAL A 41 0.329 4.063 -2.871 1.00 62.13 H new ATOM 0 HB VAL A 41 1.300 3.908 -0.593 1.00 24.30 H new ATOM 0 HG11 VAL A 41 3.449 5.005 -1.079 1.00 2.21 H new ATOM 0 HG12 VAL A 41 2.793 4.173 -2.508 1.00 2.21 H new ATOM 0 HG13 VAL A 41 2.671 5.943 -2.376 1.00 2.21 H new ATOM 0 HG21 VAL A 41 1.934 5.951 0.622 1.00 64.44 H new ATOM 0 HG22 VAL A 41 1.090 6.934 -0.598 1.00 64.44 H new ATOM 0 HG23 VAL A 41 0.170 5.812 0.433 1.00 64.44 H new ATOM 599 N GLU A 42 -1.693 3.395 -1.616 1.00 61.52 N ATOM 600 CA GLU A 42 -2.950 2.987 -0.993 1.00 3.23 C ATOM 601 C GLU A 42 -2.702 2.101 0.223 1.00 23.24 C ATOM 602 O GLU A 42 -1.568 1.701 0.495 1.00 50.54 O ATOM 603 CB GLU A 42 -3.816 2.232 -2.005 1.00 62.53 C ATOM 604 CG GLU A 42 -3.043 1.198 -2.806 1.00 13.02 C ATOM 605 CD GLU A 42 -3.765 -0.132 -2.895 1.00 72.20 C ATOM 606 OE1 GLU A 42 -4.990 -0.162 -2.656 1.00 2.41 O ATOM 607 OE2 GLU A 42 -3.104 -1.146 -3.204 1.00 31.14 O ATOM 0 H GLU A 42 -1.272 2.680 -2.209 1.00 61.52 H new ATOM 0 HA GLU A 42 -3.468 3.888 -0.664 1.00 3.23 H new ATOM 0 HB2 GLU A 42 -4.631 1.737 -1.477 1.00 62.53 H new ATOM 0 HB3 GLU A 42 -4.269 2.948 -2.691 1.00 62.53 H new ATOM 0 HG2 GLU A 42 -2.868 1.580 -3.812 1.00 13.02 H new ATOM 0 HG3 GLU A 42 -2.065 1.046 -2.348 1.00 13.02 H new ATOM 614 N LYS A 43 -3.774 1.792 0.948 1.00 11.22 N ATOM 615 CA LYS A 43 -3.686 0.947 2.132 1.00 62.41 C ATOM 616 C LYS A 43 -4.488 -0.338 1.941 1.00 53.12 C ATOM 617 O LYS A 43 -5.702 -0.364 2.152 1.00 1.11 O ATOM 618 CB LYS A 43 -4.190 1.701 3.365 1.00 42.13 C ATOM 619 CG LYS A 43 -3.256 1.604 4.560 1.00 13.50 C ATOM 620 CD LYS A 43 -3.421 2.792 5.494 1.00 11.04 C ATOM 621 CE LYS A 43 -3.368 2.366 6.952 1.00 11.11 C ATOM 622 NZ LYS A 43 -2.611 3.339 7.788 1.00 54.40 N ATOM 0 H LYS A 43 -4.717 2.117 0.734 1.00 11.22 H new ATOM 0 HA LYS A 43 -2.639 0.683 2.283 1.00 62.41 H new ATOM 0 HB2 LYS A 43 -4.329 2.751 3.107 1.00 42.13 H new ATOM 0 HB3 LYS A 43 -5.168 1.310 3.646 1.00 42.13 H new ATOM 0 HG2 LYS A 43 -3.455 0.681 5.105 1.00 13.50 H new ATOM 0 HG3 LYS A 43 -2.224 1.553 4.213 1.00 13.50 H new ATOM 0 HD2 LYS A 43 -2.635 3.522 5.298 1.00 11.04 H new ATOM 0 HD3 LYS A 43 -4.372 3.285 5.292 1.00 11.04 H new ATOM 0 HE2 LYS A 43 -4.382 2.267 7.338 1.00 11.11 H new ATOM 0 HE3 LYS A 43 -2.902 1.384 7.026 1.00 11.11 H new ATOM 0 HZ1 LYS A 43 -2.598 3.012 8.775 1.00 54.40 H new ATOM 0 HZ2 LYS A 43 -1.636 3.414 7.435 1.00 54.40 H new ATOM 0 HZ3 LYS A 43 -3.070 4.271 7.738 1.00 54.40 H new ATOM 636 N ILE A 44 -3.802 -1.401 1.537 1.00 32.43 N ATOM 637 CA ILE A 44 -4.447 -2.690 1.315 1.00 61.52 C ATOM 638 C ILE A 44 -4.255 -3.615 2.513 1.00 63.40 C ATOM 639 O ILE A 44 -3.135 -3.817 2.980 1.00 33.33 O ATOM 640 CB ILE A 44 -3.896 -3.382 0.052 1.00 31.32 C ATOM 641 CG1 ILE A 44 -2.366 -3.349 0.052 1.00 72.31 C ATOM 642 CG2 ILE A 44 -4.446 -2.715 -1.199 1.00 10.33 C ATOM 643 CD1 ILE A 44 -1.733 -4.654 -0.374 1.00 31.45 C ATOM 0 H ILE A 44 -2.798 -1.396 1.356 1.00 32.43 H new ATOM 0 HA ILE A 44 -5.510 -2.493 1.179 1.00 61.52 H new ATOM 0 HB ILE A 44 -4.218 -4.423 0.056 1.00 31.32 H new ATOM 0 HG12 ILE A 44 -2.028 -2.556 -0.615 1.00 72.31 H new ATOM 0 HG13 ILE A 44 -2.016 -3.095 1.053 1.00 72.31 H new ATOM 0 HG21 ILE A 44 -4.048 -3.214 -2.082 1.00 10.33 H new ATOM 0 HG22 ILE A 44 -5.534 -2.786 -1.201 1.00 10.33 H new ATOM 0 HG23 ILE A 44 -4.151 -1.666 -1.212 1.00 10.33 H new ATOM 0 HD11 ILE A 44 -0.648 -4.557 -0.350 1.00 31.45 H new ATOM 0 HD12 ILE A 44 -2.041 -5.447 0.307 1.00 31.45 H new ATOM 0 HD13 ILE A 44 -2.053 -4.900 -1.386 1.00 31.45 H new ATOM 655 N THR A 45 -5.357 -4.174 3.006 1.00 55.41 N ATOM 656 CA THR A 45 -5.312 -5.077 4.151 1.00 51.25 C ATOM 657 C THR A 45 -5.306 -6.533 3.695 1.00 40.22 C ATOM 658 O THR A 45 -6.097 -6.926 2.839 1.00 1.12 O ATOM 659 CB THR A 45 -6.505 -4.825 5.074 1.00 15.12 C ATOM 660 OG1 THR A 45 -6.617 -3.447 5.384 1.00 3.01 O ATOM 661 CG2 THR A 45 -6.421 -5.583 6.381 1.00 42.42 C ATOM 0 H THR A 45 -6.292 -4.017 2.630 1.00 55.41 H new ATOM 0 HA THR A 45 -4.390 -4.882 4.699 1.00 51.25 H new ATOM 0 HB THR A 45 -7.376 -5.178 4.522 1.00 15.12 H new ATOM 0 HG1 THR A 45 -7.387 -3.306 5.974 1.00 3.01 H new ATOM 0 HG21 THR A 45 -7.298 -5.359 6.988 1.00 42.42 H new ATOM 0 HG22 THR A 45 -6.383 -6.653 6.179 1.00 42.42 H new ATOM 0 HG23 THR A 45 -5.521 -5.283 6.918 1.00 42.42 H new ATOM 669 N CYS A 46 -4.409 -7.327 4.272 1.00 64.32 N ATOM 670 CA CYS A 46 -4.302 -8.738 3.919 1.00 13.53 C ATOM 671 C CYS A 46 -5.173 -9.599 4.827 1.00 55.44 C ATOM 672 O CYS A 46 -4.909 -9.723 6.023 1.00 70.35 O ATOM 673 CB CYS A 46 -2.846 -9.200 3.996 1.00 22.14 C ATOM 674 SG CYS A 46 -1.777 -8.474 2.710 1.00 51.55 S ATOM 0 H CYS A 46 -3.747 -7.018 4.984 1.00 64.32 H new ATOM 0 HA CYS A 46 -4.656 -8.854 2.895 1.00 13.53 H new ATOM 0 HB2 CYS A 46 -2.444 -8.944 4.977 1.00 22.14 H new ATOM 0 HB3 CYS A 46 -2.814 -10.286 3.912 1.00 22.14 H new ATOM 679 N SER A 47 -6.212 -10.197 4.247 1.00 45.25 N ATOM 680 CA SER A 47 -7.124 -11.054 5.000 1.00 42.35 C ATOM 681 C SER A 47 -6.350 -12.084 5.816 1.00 14.03 C ATOM 682 O SER A 47 -6.518 -12.183 7.031 1.00 21.44 O ATOM 683 CB SER A 47 -8.092 -11.760 4.050 1.00 63.32 C ATOM 684 OG SER A 47 -8.852 -12.742 4.733 1.00 14.35 O ATOM 0 H SER A 47 -6.443 -10.103 3.258 1.00 45.25 H new ATOM 0 HA SER A 47 -7.693 -10.427 5.686 1.00 42.35 H new ATOM 0 HB2 SER A 47 -8.761 -11.028 3.597 1.00 63.32 H new ATOM 0 HB3 SER A 47 -7.534 -12.227 3.238 1.00 63.32 H new ATOM 0 HG SER A 47 -9.464 -13.178 4.104 1.00 14.35 H new ATOM 690 N SER A 48 -5.492 -12.841 5.141 1.00 3.45 N ATOM 691 CA SER A 48 -4.683 -13.851 5.805 1.00 4.33 C ATOM 692 C SER A 48 -3.535 -13.190 6.554 1.00 11.24 C ATOM 693 O SER A 48 -2.538 -12.799 5.950 1.00 45.14 O ATOM 694 CB SER A 48 -4.138 -14.854 4.787 1.00 32.31 C ATOM 695 OG SER A 48 -5.058 -15.910 4.568 1.00 44.11 O ATOM 0 H SER A 48 -5.340 -12.773 4.135 1.00 3.45 H new ATOM 0 HA SER A 48 -5.310 -14.386 6.518 1.00 4.33 H new ATOM 0 HB2 SER A 48 -3.932 -14.345 3.845 1.00 32.31 H new ATOM 0 HB3 SER A 48 -3.191 -15.260 5.143 1.00 32.31 H new ATOM 0 HG SER A 48 -4.687 -16.537 3.912 1.00 44.11 H new ATOM 701 N SER A 49 -3.704 -13.062 7.871 1.00 21.11 N ATOM 702 CA SER A 49 -2.715 -12.437 8.762 1.00 51.02 C ATOM 703 C SER A 49 -3.172 -11.047 9.189 1.00 25.33 C ATOM 704 O SER A 49 -2.604 -10.456 10.108 1.00 51.41 O ATOM 705 CB SER A 49 -1.330 -12.335 8.108 1.00 14.34 C ATOM 706 OG SER A 49 -0.896 -13.596 7.627 1.00 42.14 O ATOM 0 H SER A 49 -4.538 -13.391 8.357 1.00 21.11 H new ATOM 0 HA SER A 49 -2.633 -13.081 9.637 1.00 51.02 H new ATOM 0 HB2 SER A 49 -1.365 -11.621 7.285 1.00 14.34 H new ATOM 0 HB3 SER A 49 -0.611 -11.952 8.832 1.00 14.34 H new ATOM 0 HG SER A 49 -1.146 -13.690 6.684 1.00 42.14 H new ATOM 712 N LYS A 50 -4.194 -10.520 8.513 1.00 72.14 N ATOM 713 CA LYS A 50 -4.710 -9.192 8.824 1.00 20.52 C ATOM 714 C LYS A 50 -3.562 -8.193 8.918 1.00 2.24 C ATOM 715 O LYS A 50 -3.174 -7.773 10.008 1.00 33.43 O ATOM 716 CB LYS A 50 -5.497 -9.219 10.136 1.00 22.21 C ATOM 717 CG LYS A 50 -7.004 -9.217 9.941 1.00 61.25 C ATOM 718 CD LYS A 50 -7.488 -7.903 9.352 1.00 54.41 C ATOM 719 CE LYS A 50 -8.635 -8.117 8.377 1.00 54.43 C ATOM 720 NZ LYS A 50 -9.590 -6.975 8.383 1.00 32.11 N ATOM 0 H LYS A 50 -4.678 -10.993 7.750 1.00 72.14 H new ATOM 0 HA LYS A 50 -5.382 -8.882 8.024 1.00 20.52 H new ATOM 0 HB2 LYS A 50 -5.213 -10.106 10.702 1.00 22.21 H new ATOM 0 HB3 LYS A 50 -5.216 -8.354 10.737 1.00 22.21 H new ATOM 0 HG2 LYS A 50 -7.288 -10.038 9.283 1.00 61.25 H new ATOM 0 HG3 LYS A 50 -7.496 -9.391 10.898 1.00 61.25 H new ATOM 0 HD2 LYS A 50 -7.811 -7.240 10.155 1.00 54.41 H new ATOM 0 HD3 LYS A 50 -6.663 -7.406 8.841 1.00 54.41 H new ATOM 0 HE2 LYS A 50 -8.236 -8.251 7.371 1.00 54.43 H new ATOM 0 HE3 LYS A 50 -9.164 -9.034 8.635 1.00 54.43 H new ATOM 0 HZ1 LYS A 50 -10.357 -7.160 7.705 1.00 32.11 H new ATOM 0 HZ2 LYS A 50 -9.990 -6.862 9.336 1.00 32.11 H new ATOM 0 HZ3 LYS A 50 -9.091 -6.104 8.112 1.00 32.11 H new ATOM 734 N ARG A 51 -3.014 -7.830 7.765 1.00 1.11 N ATOM 735 CA ARG A 51 -1.900 -6.896 7.711 1.00 14.13 C ATOM 736 C ARG A 51 -2.099 -5.869 6.601 1.00 53.14 C ATOM 737 O ARG A 51 -2.312 -6.224 5.442 1.00 22.30 O ATOM 738 CB ARG A 51 -0.591 -7.661 7.502 1.00 42.52 C ATOM 739 CG ARG A 51 0.431 -7.432 8.602 1.00 52.54 C ATOM 740 CD ARG A 51 1.786 -8.014 8.231 1.00 73.22 C ATOM 741 NE ARG A 51 2.604 -8.292 9.409 1.00 64.03 N ATOM 742 CZ ARG A 51 3.659 -9.102 9.405 1.00 42.13 C ATOM 743 NH1 ARG A 51 4.028 -9.717 8.287 1.00 21.42 N ATOM 744 NH2 ARG A 51 4.349 -9.299 10.520 1.00 50.42 N ATOM 0 H ARG A 51 -3.324 -8.169 6.855 1.00 1.11 H new ATOM 0 HA ARG A 51 -1.853 -6.359 8.659 1.00 14.13 H new ATOM 0 HB2 ARG A 51 -0.810 -8.727 7.437 1.00 42.52 H new ATOM 0 HB3 ARG A 51 -0.156 -7.366 6.547 1.00 42.52 H new ATOM 0 HG2 ARG A 51 0.532 -6.363 8.790 1.00 52.54 H new ATOM 0 HG3 ARG A 51 0.079 -7.887 9.528 1.00 52.54 H new ATOM 0 HD2 ARG A 51 1.642 -8.934 7.664 1.00 73.22 H new ATOM 0 HD3 ARG A 51 2.314 -7.317 7.580 1.00 73.22 H new ATOM 0 HE ARG A 51 2.351 -7.838 10.287 1.00 64.03 H new ATOM 0 HH11 ARG A 51 3.502 -9.569 7.426 1.00 21.42 H new ATOM 0 HH12 ARG A 51 4.838 -10.337 8.289 1.00 21.42 H new ATOM 0 HH21 ARG A 51 4.071 -8.829 11.382 1.00 50.42 H new ATOM 0 HH22 ARG A 51 5.158 -9.920 10.516 1.00 50.42 H new ATOM 758 N ASN A 52 -2.028 -4.595 6.968 1.00 34.42 N ATOM 759 CA ASN A 52 -2.199 -3.511 6.007 1.00 23.12 C ATOM 760 C ASN A 52 -0.853 -3.051 5.461 1.00 31.12 C ATOM 761 O ASN A 52 -0.036 -2.487 6.187 1.00 2.31 O ATOM 762 CB ASN A 52 -2.932 -2.335 6.654 1.00 20.24 C ATOM 763 CG ASN A 52 -2.331 -1.941 7.989 1.00 4.31 C ATOM 764 OD1 ASN A 52 -1.250 -2.402 8.357 1.00 5.34 O ATOM 765 ND2 ASN A 52 -3.030 -1.083 8.723 1.00 3.21 N ATOM 0 H ASN A 52 -1.853 -4.287 7.924 1.00 34.42 H new ATOM 0 HA ASN A 52 -2.797 -3.887 5.177 1.00 23.12 H new ATOM 0 HB2 ASN A 52 -2.905 -1.479 5.980 1.00 20.24 H new ATOM 0 HB3 ASN A 52 -3.981 -2.597 6.794 1.00 20.24 H new ATOM 0 HD21 ASN A 52 -2.675 -0.781 9.630 1.00 3.21 H new ATOM 0 HD22 ASN A 52 -3.922 -0.726 8.379 1.00 3.21 H new ATOM 772 N GLU A 53 -0.632 -3.292 4.173 1.00 41.33 N ATOM 773 CA GLU A 53 0.613 -2.902 3.526 1.00 4.05 C ATOM 774 C GLU A 53 0.433 -1.606 2.744 1.00 61.35 C ATOM 775 O GLU A 53 -0.692 -1.191 2.461 1.00 75.32 O ATOM 776 CB GLU A 53 1.098 -4.014 2.593 1.00 12.24 C ATOM 777 CG GLU A 53 2.199 -4.874 3.192 1.00 2.20 C ATOM 778 CD GLU A 53 3.383 -4.056 3.669 1.00 62.15 C ATOM 779 OE1 GLU A 53 4.303 -3.817 2.860 1.00 30.34 O ATOM 780 OE2 GLU A 53 3.390 -3.656 4.852 1.00 35.21 O ATOM 0 H GLU A 53 -1.300 -3.756 3.557 1.00 41.33 H new ATOM 0 HA GLU A 53 1.362 -2.737 4.301 1.00 4.05 H new ATOM 0 HB2 GLU A 53 0.253 -4.651 2.331 1.00 12.24 H new ATOM 0 HB3 GLU A 53 1.460 -3.568 1.667 1.00 12.24 H new ATOM 0 HG2 GLU A 53 1.795 -5.444 4.029 1.00 2.20 H new ATOM 0 HG3 GLU A 53 2.537 -5.596 2.448 1.00 2.20 H new ATOM 787 N PHE A 54 1.546 -0.973 2.395 1.00 62.12 N ATOM 788 CA PHE A 54 1.511 0.276 1.643 1.00 52.31 C ATOM 789 C PHE A 54 1.856 0.035 0.178 1.00 20.21 C ATOM 790 O PHE A 54 3.028 -0.029 -0.193 1.00 71.11 O ATOM 791 CB PHE A 54 2.484 1.289 2.249 1.00 31.23 C ATOM 792 CG PHE A 54 1.862 2.164 3.300 1.00 44.21 C ATOM 793 CD1 PHE A 54 0.982 3.174 2.946 1.00 60.55 C ATOM 794 CD2 PHE A 54 2.157 1.977 4.640 1.00 53.04 C ATOM 795 CE1 PHE A 54 0.408 3.981 3.910 1.00 31.14 C ATOM 796 CE2 PHE A 54 1.587 2.780 5.609 1.00 20.43 C ATOM 797 CZ PHE A 54 0.711 3.784 5.243 1.00 5.43 C ATOM 0 H PHE A 54 2.484 -1.304 2.620 1.00 62.12 H new ATOM 0 HA PHE A 54 0.499 0.678 1.699 1.00 52.31 H new ATOM 0 HB2 PHE A 54 3.327 0.754 2.686 1.00 31.23 H new ATOM 0 HB3 PHE A 54 2.883 1.918 1.453 1.00 31.23 H new ATOM 0 HD1 PHE A 54 0.742 3.332 1.905 1.00 60.55 H new ATOM 0 HD2 PHE A 54 2.841 1.194 4.931 1.00 53.04 H new ATOM 0 HE1 PHE A 54 -0.277 4.765 3.621 1.00 31.14 H new ATOM 0 HE2 PHE A 54 1.826 2.623 6.651 1.00 20.43 H new ATOM 0 HZ PHE A 54 0.264 4.414 5.998 1.00 5.43 H new ATOM 807 N LYS A 55 0.826 -0.099 -0.649 1.00 44.01 N ATOM 808 CA LYS A 55 1.011 -0.333 -2.076 1.00 73.11 C ATOM 809 C LYS A 55 0.786 0.949 -2.868 1.00 63.12 C ATOM 810 O LYS A 55 0.440 1.982 -2.301 1.00 60.32 O ATOM 811 CB LYS A 55 0.056 -1.421 -2.557 1.00 13.23 C ATOM 812 CG LYS A 55 0.766 -2.605 -3.184 1.00 41.25 C ATOM 813 CD LYS A 55 -0.048 -3.877 -3.036 1.00 62.10 C ATOM 814 CE LYS A 55 -0.395 -4.474 -4.386 1.00 31.24 C ATOM 815 NZ LYS A 55 0.799 -5.039 -5.075 1.00 13.13 N ATOM 0 H LYS A 55 -0.149 -0.049 -0.354 1.00 44.01 H new ATOM 0 HA LYS A 55 2.037 -0.662 -2.240 1.00 73.11 H new ATOM 0 HB2 LYS A 55 -0.542 -1.769 -1.715 1.00 13.23 H new ATOM 0 HB3 LYS A 55 -0.635 -0.994 -3.284 1.00 13.23 H new ATOM 0 HG2 LYS A 55 0.945 -2.406 -4.241 1.00 41.25 H new ATOM 0 HG3 LYS A 55 1.741 -2.738 -2.715 1.00 41.25 H new ATOM 0 HD2 LYS A 55 0.514 -4.604 -2.449 1.00 62.10 H new ATOM 0 HD3 LYS A 55 -0.964 -3.662 -2.485 1.00 62.10 H new ATOM 0 HE2 LYS A 55 -1.141 -5.258 -4.254 1.00 31.24 H new ATOM 0 HE3 LYS A 55 -0.847 -3.707 -5.015 1.00 31.24 H new ATOM 0 HZ1 LYS A 55 0.496 -5.568 -5.917 1.00 13.13 H new ATOM 0 HZ2 LYS A 55 1.433 -4.266 -5.362 1.00 13.13 H new ATOM 0 HZ3 LYS A 55 1.303 -5.678 -4.428 1.00 13.13 H new ATOM 829 N SER A 56 0.980 0.876 -4.180 1.00 61.14 N ATOM 830 CA SER A 56 0.789 2.032 -5.050 1.00 14.20 C ATOM 831 C SER A 56 -0.282 1.743 -6.095 1.00 33.41 C ATOM 832 O SER A 56 -0.290 0.673 -6.704 1.00 61.31 O ATOM 833 CB SER A 56 2.103 2.406 -5.739 1.00 42.24 C ATOM 834 OG SER A 56 2.334 1.590 -6.875 1.00 4.04 O ATOM 0 H SER A 56 1.270 0.027 -4.666 1.00 61.14 H new ATOM 0 HA SER A 56 0.463 2.871 -4.436 1.00 14.20 H new ATOM 0 HB2 SER A 56 2.074 3.453 -6.040 1.00 42.24 H new ATOM 0 HB3 SER A 56 2.929 2.299 -5.036 1.00 42.24 H new ATOM 0 HG SER A 56 3.179 1.850 -7.298 1.00 4.04 H new ATOM 840 N CYS A 57 -1.188 2.695 -6.305 1.00 64.24 N ATOM 841 CA CYS A 57 -2.255 2.512 -7.288 1.00 63.31 C ATOM 842 C CYS A 57 -2.336 3.705 -8.236 1.00 53.51 C ATOM 843 O CYS A 57 -1.629 4.697 -8.060 1.00 2.13 O ATOM 844 CB CYS A 57 -3.606 2.273 -6.586 1.00 44.32 C ATOM 845 SG CYS A 57 -4.603 3.765 -6.226 1.00 74.43 S ATOM 0 H CYS A 57 -1.207 3.590 -5.816 1.00 64.24 H new ATOM 0 HA CYS A 57 -2.020 1.629 -7.883 1.00 63.31 H new ATOM 0 HB2 CYS A 57 -4.202 1.604 -7.207 1.00 44.32 H new ATOM 0 HB3 CYS A 57 -3.417 1.752 -5.647 1.00 44.32 H new ATOM 850 N ARG A 58 -3.200 3.604 -9.237 1.00 31.41 N ATOM 851 CA ARG A 58 -3.369 4.681 -10.205 1.00 62.35 C ATOM 852 C ARG A 58 -4.486 5.625 -9.773 1.00 33.04 C ATOM 853 O ARG A 58 -5.624 5.203 -9.571 1.00 54.43 O ATOM 854 CB ARG A 58 -3.674 4.107 -11.590 1.00 21.10 C ATOM 855 CG ARG A 58 -3.454 5.100 -12.720 1.00 44.23 C ATOM 856 CD ARG A 58 -4.648 5.151 -13.660 1.00 3.11 C ATOM 857 NE ARG A 58 -4.943 3.845 -14.244 1.00 31.04 N ATOM 858 CZ ARG A 58 -4.204 3.273 -15.192 1.00 14.44 C ATOM 859 NH1 ARG A 58 -3.127 3.888 -15.666 1.00 70.32 N ATOM 860 NH2 ARG A 58 -4.542 2.082 -15.668 1.00 52.21 N ATOM 0 H ARG A 58 -3.793 2.791 -9.400 1.00 31.41 H new ATOM 0 HA ARG A 58 -2.438 5.246 -10.253 1.00 62.35 H new ATOM 0 HB2 ARG A 58 -3.046 3.232 -11.758 1.00 21.10 H new ATOM 0 HB3 ARG A 58 -4.709 3.766 -11.613 1.00 21.10 H new ATOM 0 HG2 ARG A 58 -3.275 6.092 -12.304 1.00 44.23 H new ATOM 0 HG3 ARG A 58 -2.561 4.823 -13.280 1.00 44.23 H new ATOM 0 HD2 ARG A 58 -5.522 5.510 -13.116 1.00 3.11 H new ATOM 0 HD3 ARG A 58 -4.451 5.868 -14.457 1.00 3.11 H new ATOM 0 HE ARG A 58 -5.763 3.342 -13.906 1.00 31.04 H new ATOM 0 HH11 ARG A 58 -2.862 4.804 -15.304 1.00 70.32 H new ATOM 0 HH12 ARG A 58 -2.565 3.445 -16.392 1.00 70.32 H new ATOM 0 HH21 ARG A 58 -5.368 1.604 -15.308 1.00 52.21 H new ATOM 0 HH22 ARG A 58 -3.976 1.644 -16.394 1.00 52.21 H new ATOM 874 N SER A 59 -4.151 6.902 -9.630 1.00 52.53 N ATOM 875 CA SER A 59 -5.126 7.906 -9.218 1.00 74.44 C ATOM 876 C SER A 59 -5.897 8.447 -10.421 1.00 41.43 C ATOM 877 O SER A 59 -7.028 8.912 -10.286 1.00 4.30 O ATOM 878 CB SER A 59 -4.427 9.052 -8.484 1.00 45.24 C ATOM 879 OG SER A 59 -4.994 9.254 -7.200 1.00 1.43 O ATOM 0 H SER A 59 -3.213 7.267 -9.793 1.00 52.53 H new ATOM 0 HA SER A 59 -5.837 7.431 -8.542 1.00 74.44 H new ATOM 0 HB2 SER A 59 -3.364 8.831 -8.385 1.00 45.24 H new ATOM 0 HB3 SER A 59 -4.509 9.968 -9.070 1.00 45.24 H new ATOM 0 HG SER A 59 -4.363 9.750 -6.638 1.00 1.43 H new ATOM 885 N ALA A 60 -5.276 8.384 -11.594 1.00 3.34 N ATOM 886 CA ALA A 60 -5.901 8.870 -12.819 1.00 12.12 C ATOM 887 C ALA A 60 -7.199 8.125 -13.120 1.00 72.42 C ATOM 888 O ALA A 60 -8.033 8.604 -13.887 1.00 55.10 O ATOM 889 CB ALA A 60 -4.935 8.741 -13.987 1.00 42.41 C ATOM 0 H ALA A 60 -4.339 8.001 -11.722 1.00 3.34 H new ATOM 0 HA ALA A 60 -6.149 9.922 -12.674 1.00 12.12 H new ATOM 0 HB1 ALA A 60 -5.412 9.107 -14.896 1.00 42.41 H new ATOM 0 HB2 ALA A 60 -4.040 9.329 -13.785 1.00 42.41 H new ATOM 0 HB3 ALA A 60 -4.660 7.694 -14.118 1.00 42.41 H new ATOM 895 N LEU A 61 -7.366 6.950 -12.516 1.00 70.34 N ATOM 896 CA LEU A 61 -8.564 6.149 -12.728 1.00 65.13 C ATOM 897 C LEU A 61 -9.396 6.073 -11.453 1.00 65.11 C ATOM 898 O LEU A 61 -10.626 6.050 -11.501 1.00 12.32 O ATOM 899 CB LEU A 61 -8.186 4.740 -13.188 1.00 64.21 C ATOM 900 CG LEU A 61 -9.237 4.034 -14.045 1.00 62.21 C ATOM 901 CD1 LEU A 61 -10.580 4.011 -13.331 1.00 64.14 C ATOM 902 CD2 LEU A 61 -9.363 4.712 -15.401 1.00 1.32 C ATOM 0 H LEU A 61 -6.687 6.535 -11.878 1.00 70.34 H new ATOM 0 HA LEU A 61 -9.161 6.629 -13.504 1.00 65.13 H new ATOM 0 HB2 LEU A 61 -7.256 4.797 -13.754 1.00 64.21 H new ATOM 0 HB3 LEU A 61 -7.987 4.128 -12.308 1.00 64.21 H new ATOM 0 HG LEU A 61 -8.916 3.005 -14.205 1.00 62.21 H new ATOM 0 HD11 LEU A 61 -11.316 3.505 -13.956 1.00 64.14 H new ATOM 0 HD12 LEU A 61 -10.480 3.479 -12.385 1.00 64.14 H new ATOM 0 HD13 LEU A 61 -10.908 5.033 -13.140 1.00 64.14 H new ATOM 0 HD21 LEU A 61 -10.115 4.196 -15.997 1.00 1.32 H new ATOM 0 HD22 LEU A 61 -9.660 5.751 -15.262 1.00 1.32 H new ATOM 0 HD23 LEU A 61 -8.403 4.675 -15.917 1.00 1.32 H new ATOM 914 N MET A 62 -8.716 6.034 -10.313 1.00 5.12 N ATOM 915 CA MET A 62 -9.391 5.961 -9.024 1.00 74.32 C ATOM 916 C MET A 62 -10.309 7.161 -8.820 1.00 42.24 C ATOM 917 O MET A 62 -11.498 7.006 -8.539 1.00 43.24 O ATOM 918 CB MET A 62 -8.367 5.888 -7.889 1.00 42.54 C ATOM 919 CG MET A 62 -7.813 4.492 -7.658 1.00 24.05 C ATOM 920 SD MET A 62 -9.092 3.304 -7.205 1.00 44.21 S ATOM 921 CE MET A 62 -8.478 2.731 -5.624 1.00 45.45 C ATOM 0 H MET A 62 -7.698 6.052 -10.256 1.00 5.12 H new ATOM 0 HA MET A 62 -9.999 5.056 -9.013 1.00 74.32 H new ATOM 0 HB2 MET A 62 -7.542 6.565 -8.111 1.00 42.54 H new ATOM 0 HB3 MET A 62 -8.831 6.242 -6.969 1.00 42.54 H new ATOM 0 HG2 MET A 62 -7.309 4.151 -8.562 1.00 24.05 H new ATOM 0 HG3 MET A 62 -7.061 4.529 -6.869 1.00 24.05 H new ATOM 0 HE1 MET A 62 -9.318 2.496 -4.971 1.00 45.45 H new ATOM 0 HE2 MET A 62 -7.872 1.837 -5.771 1.00 45.45 H new ATOM 0 HE3 MET A 62 -7.870 3.511 -5.166 1.00 45.45 H new ATOM 931 N GLU A 63 -9.750 8.358 -8.963 1.00 3.04 N ATOM 932 CA GLU A 63 -10.518 9.586 -8.795 1.00 74.33 C ATOM 933 C GLU A 63 -9.968 10.698 -9.681 1.00 21.00 C ATOM 934 O GLU A 63 -9.091 11.458 -9.269 1.00 12.42 O ATOM 935 CB GLU A 63 -10.499 10.028 -7.331 1.00 2.00 C ATOM 936 CG GLU A 63 -9.101 10.124 -6.743 1.00 1.04 C ATOM 937 CD GLU A 63 -9.030 9.603 -5.320 1.00 52.00 C ATOM 938 OE1 GLU A 63 -9.672 10.206 -4.435 1.00 61.50 O ATOM 939 OE2 GLU A 63 -8.332 8.593 -5.093 1.00 34.25 O ATOM 0 H GLU A 63 -8.767 8.504 -9.195 1.00 3.04 H new ATOM 0 HA GLU A 63 -11.547 9.385 -9.093 1.00 74.33 H new ATOM 0 HB2 GLU A 63 -10.987 10.999 -7.247 1.00 2.00 H new ATOM 0 HB3 GLU A 63 -11.085 9.324 -6.740 1.00 2.00 H new ATOM 0 HG2 GLU A 63 -8.409 9.560 -7.368 1.00 1.04 H new ATOM 0 HG3 GLU A 63 -8.773 11.163 -6.762 1.00 1.04 H new ATOM 946 N GLN A 64 -10.487 10.788 -10.901 1.00 63.01 N ATOM 947 CA GLN A 64 -10.047 11.807 -11.846 1.00 12.32 C ATOM 948 C GLN A 64 -11.240 12.536 -12.456 1.00 51.11 C ATOM 949 O GLN A 64 -12.074 11.929 -13.129 1.00 44.52 O ATOM 950 CB GLN A 64 -9.201 11.175 -12.953 1.00 13.05 C ATOM 951 CG GLN A 64 -8.199 12.133 -13.576 1.00 33.12 C ATOM 952 CD GLN A 64 -7.934 11.832 -15.038 1.00 42.03 C ATOM 953 OE1 GLN A 64 -6.813 11.500 -15.421 1.00 0.22 O ATOM 954 NE2 GLN A 64 -8.969 11.947 -15.862 1.00 75.32 N ATOM 0 H GLN A 64 -11.213 10.167 -11.258 1.00 63.01 H new ATOM 0 HA GLN A 64 -9.440 12.532 -11.303 1.00 12.32 H new ATOM 0 HB2 GLN A 64 -8.666 10.318 -12.545 1.00 13.05 H new ATOM 0 HB3 GLN A 64 -9.862 10.796 -13.733 1.00 13.05 H new ATOM 0 HG2 GLN A 64 -8.570 13.153 -13.481 1.00 33.12 H new ATOM 0 HG3 GLN A 64 -7.261 12.082 -13.023 1.00 33.12 H new ATOM 0 HE21 GLN A 64 -9.881 12.225 -15.500 1.00 75.32 H new ATOM 0 HE22 GLN A 64 -8.852 11.757 -16.857 1.00 75.32 H new ATOM 963 N ARG A 65 -11.317 13.841 -12.216 1.00 1.31 N ATOM 964 CA ARG A 65 -12.408 14.652 -12.741 1.00 12.02 C ATOM 965 C ARG A 65 -11.885 15.972 -13.298 1.00 24.24 C ATOM 966 O ARG A 65 -10.671 16.232 -13.161 1.00 37.68 O ATOM 967 CB ARG A 65 -13.443 14.922 -11.648 1.00 33.23 C ATOM 968 CG ARG A 65 -14.253 13.694 -11.261 1.00 14.11 C ATOM 969 CD ARG A 65 -15.592 14.076 -10.649 1.00 62.15 C ATOM 970 NE ARG A 65 -15.642 13.785 -9.218 1.00 3.32 N ATOM 971 CZ ARG A 65 -15.105 14.565 -8.282 1.00 41.20 C ATOM 972 NH1 ARG A 65 -14.476 15.683 -8.621 1.00 75.33 N ATOM 973 NH2 ARG A 65 -15.198 14.226 -7.004 1.00 31.30 N ATOM 974 OXT ARG A 65 -12.693 16.734 -13.868 1.00 37.68 O ATOM 0 H ARG A 65 -10.636 14.359 -11.661 1.00 1.31 H new ATOM 0 HA ARG A 65 -12.882 14.098 -13.551 1.00 12.02 H new ATOM 0 HB2 ARG A 65 -12.934 15.305 -10.764 1.00 33.23 H new ATOM 0 HB3 ARG A 65 -14.123 15.703 -11.988 1.00 33.23 H new ATOM 0 HG2 ARG A 65 -14.419 13.074 -12.142 1.00 14.11 H new ATOM 0 HG3 ARG A 65 -13.686 13.093 -10.550 1.00 14.11 H new ATOM 0 HD2 ARG A 65 -15.774 15.139 -10.810 1.00 62.15 H new ATOM 0 HD3 ARG A 65 -16.390 13.535 -11.157 1.00 62.15 H new ATOM 0 HE ARG A 65 -16.117 12.933 -8.918 1.00 3.32 H new ATOM 0 HH11 ARG A 65 -14.402 15.949 -9.603 1.00 75.33 H new ATOM 0 HH12 ARG A 65 -14.067 16.277 -7.900 1.00 75.33 H new ATOM 0 HH21 ARG A 65 -15.681 13.368 -6.738 1.00 31.30 H new ATOM 0 HH22 ARG A 65 -14.787 14.823 -6.287 1.00 31.30 H new TER 988 ARG A 65