USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 823 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 98 MET CE :methyl 180:sc=-0.00796 (180deg=0) USER MOD Set 1.2: A 109 MET CE :methyl -156:sc= -0.162 (180deg=-0.267) USER MOD Set 2.1: A 56 THR OG1 : rot 130:sc= -0.857 USER MOD Set 2.2: A 59 GLN : amide:sc= 0.0421 K(o=-0.81,f=-0.16) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0308) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -176:sc= -0.085 USER MOD Single : A 17 SER OG : rot -96:sc= 0.182 USER MOD Single : A 18 ASN : amide:sc=-0.00672 X(o=-0.0067,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 41 MET CE :methyl -135:sc= -1.01 (180deg=-2) USER MOD Single : A 43 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.6) USER MOD Single : A 45 SER OG : rot 93:sc= 1.1 USER MOD Single : A 46 THR OG1 : rot 43:sc= 1.24 USER MOD Single : A 65 CYS SG : rot 90:sc= -0.0728 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -128:sc= -0.717 USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= -0.0432 (180deg=-0.321) USER MOD Single : A 82 MET CE :methyl -177:sc= 0 (180deg=-0.00698) USER MOD Single : A 86 THR OG1 : rot 73:sc= 1.15 USER MOD Single : A 88 LYS NZ :NH3+ -125:sc= 1.19 (180deg=-0.213) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0296 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 108 ASN : amide:sc= -0.0402 X(o=-0.04,f=-0.42) USER MOD Single : A 110 TYR OH : rot 165:sc= -0.0111 USER MOD Single : A 111 SER OG : rot 180:sc=-0.00441 USER MOD Single : A 112 GLN : amide:sc= -1.05 K(o=-1.1,f=-6.7!) USER MOD Single : A 113 MET CE :methyl 157:sc= -0.144 (180deg=-0.3) USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 4 5.454 2.992 -3.561 1.00 24.13 N ATOM 23 CA LEU A 4 6.248 3.030 -4.785 1.00 22.55 C ATOM 24 C LEU A 4 6.870 1.668 -5.073 1.00 51.33 C ATOM 25 O LEU A 4 7.934 1.577 -5.687 1.00 30.52 O ATOM 26 CB LEU A 4 7.343 4.092 -4.673 1.00 2.05 C ATOM 27 CG LEU A 4 7.561 4.965 -5.909 1.00 22.41 C ATOM 28 CD1 LEU A 4 8.040 4.123 -7.080 1.00 11.44 C ATOM 29 CD2 LEU A 4 6.281 5.705 -6.270 1.00 74.32 C ATOM 0 HA LEU A 4 5.585 3.287 -5.611 1.00 22.55 H new ATOM 0 HB2 LEU A 4 7.106 4.742 -3.831 1.00 2.05 H new ATOM 0 HB3 LEU A 4 8.282 3.593 -4.435 1.00 2.05 H new ATOM 0 HG LEU A 4 8.331 5.701 -5.679 1.00 22.41 H new ATOM 0 HD11 LEU A 4 8.190 4.762 -7.950 1.00 11.44 H new ATOM 0 HD12 LEU A 4 8.981 3.639 -6.819 1.00 11.44 H new ATOM 0 HD13 LEU A 4 7.293 3.363 -7.311 1.00 11.44 H new ATOM 0 HD21 LEU A 4 6.454 6.322 -7.152 1.00 74.32 H new ATOM 0 HD22 LEU A 4 5.491 4.984 -6.480 1.00 74.32 H new ATOM 0 HD23 LEU A 4 5.980 6.340 -5.437 1.00 74.32 H new ATOM 41 N LYS A 5 6.200 0.611 -4.628 1.00 10.13 N ATOM 42 CA LYS A 5 6.686 -0.747 -4.841 1.00 3.24 C ATOM 43 C LYS A 5 7.002 -0.989 -6.314 1.00 33.44 C ATOM 44 O LYS A 5 6.123 -0.897 -7.170 1.00 74.31 O ATOM 45 CB LYS A 5 5.647 -1.763 -4.358 1.00 41.01 C ATOM 46 CG LYS A 5 5.827 -2.176 -2.908 1.00 54.31 C ATOM 47 CD LYS A 5 6.629 -3.462 -2.789 1.00 72.23 C ATOM 48 CE LYS A 5 5.815 -4.567 -2.134 1.00 15.03 C ATOM 49 NZ LYS A 5 5.521 -4.267 -0.705 1.00 71.30 N ATOM 0 H LYS A 5 5.319 0.668 -4.118 1.00 10.13 H new ATOM 0 HA LYS A 5 7.604 -0.872 -4.266 1.00 3.24 H new ATOM 0 HB2 LYS A 5 4.651 -1.339 -4.485 1.00 41.01 H new ATOM 0 HB3 LYS A 5 5.699 -2.650 -4.989 1.00 41.01 H new ATOM 0 HG2 LYS A 5 6.332 -1.379 -2.362 1.00 54.31 H new ATOM 0 HG3 LYS A 5 4.850 -2.311 -2.443 1.00 54.31 H new ATOM 0 HD2 LYS A 5 6.951 -3.784 -3.779 1.00 72.23 H new ATOM 0 HD3 LYS A 5 7.530 -3.277 -2.205 1.00 72.23 H new ATOM 0 HE2 LYS A 5 4.879 -4.699 -2.677 1.00 15.03 H new ATOM 0 HE3 LYS A 5 6.360 -5.509 -2.203 1.00 15.03 H new ATOM 0 HZ1 LYS A 5 5.180 -5.128 -0.233 1.00 71.30 H new ATOM 0 HZ2 LYS A 5 6.387 -3.934 -0.235 1.00 71.30 H new ATOM 0 HZ3 LYS A 5 4.791 -3.529 -0.648 1.00 71.30 H new ATOM 63 N SER A 6 8.262 -1.299 -6.600 1.00 12.11 N ATOM 64 CA SER A 6 8.695 -1.551 -7.970 1.00 74.50 C ATOM 65 C SER A 6 7.966 -2.755 -8.557 1.00 33.13 C ATOM 66 O SER A 6 7.844 -2.888 -9.774 1.00 60.02 O ATOM 67 CB SER A 6 10.206 -1.783 -8.015 1.00 74.02 C ATOM 68 OG SER A 6 10.902 -0.569 -8.239 1.00 55.21 O ATOM 0 H SER A 6 9.001 -1.382 -5.902 1.00 12.11 H new ATOM 0 HA SER A 6 8.452 -0.674 -8.569 1.00 74.50 H new ATOM 0 HB2 SER A 6 10.537 -2.228 -7.076 1.00 74.02 H new ATOM 0 HB3 SER A 6 10.445 -2.494 -8.806 1.00 74.02 H new ATOM 0 HG SER A 6 11.866 -0.744 -8.262 1.00 55.21 H new ATOM 74 N ARG A 7 7.485 -3.632 -7.681 1.00 22.23 N ATOM 75 CA ARG A 7 6.769 -4.827 -8.111 1.00 4.02 C ATOM 76 C ARG A 7 5.457 -4.458 -8.797 1.00 14.31 C ATOM 77 O ARG A 7 5.226 -4.817 -9.952 1.00 25.24 O ATOM 78 CB ARG A 7 6.493 -5.740 -6.915 1.00 63.11 C ATOM 79 CG ARG A 7 7.337 -7.005 -6.907 1.00 63.55 C ATOM 80 CD ARG A 7 6.535 -8.205 -6.428 1.00 30.33 C ATOM 81 NE ARG A 7 7.300 -9.446 -6.518 1.00 73.04 N ATOM 82 CZ ARG A 7 6.912 -10.592 -5.970 1.00 73.54 C ATOM 83 NH1 ARG A 7 5.773 -10.654 -5.295 1.00 71.52 N ATOM 84 NH2 ARG A 7 7.663 -11.677 -6.096 1.00 3.12 N ATOM 0 H ARG A 7 7.578 -3.537 -6.670 1.00 22.23 H new ATOM 0 HA ARG A 7 7.396 -5.358 -8.827 1.00 4.02 H new ATOM 0 HB2 ARG A 7 6.677 -5.185 -5.995 1.00 63.11 H new ATOM 0 HB3 ARG A 7 5.439 -6.017 -6.915 1.00 63.11 H new ATOM 0 HG2 ARG A 7 7.717 -7.197 -7.910 1.00 63.55 H new ATOM 0 HG3 ARG A 7 8.203 -6.862 -6.260 1.00 63.55 H new ATOM 0 HD2 ARG A 7 6.224 -8.045 -5.396 1.00 30.33 H new ATOM 0 HD3 ARG A 7 5.627 -8.295 -7.024 1.00 30.33 H new ATOM 0 HE ARG A 7 8.182 -9.432 -7.031 1.00 73.04 H new ATOM 0 HH11 ARG A 7 5.193 -9.821 -5.196 1.00 71.52 H new ATOM 0 HH12 ARG A 7 5.476 -11.535 -4.875 1.00 71.52 H new ATOM 0 HH21 ARG A 7 8.540 -11.633 -6.614 1.00 3.12 H new ATOM 0 HH22 ARG A 7 7.364 -12.556 -5.675 1.00 3.12 H new ATOM 98 N ASP A 8 4.602 -3.738 -8.079 1.00 21.20 N ATOM 99 CA ASP A 8 3.314 -3.319 -8.618 1.00 24.33 C ATOM 100 C ASP A 8 3.483 -2.157 -9.590 1.00 54.31 C ATOM 101 O ASP A 8 2.733 -2.030 -10.558 1.00 33.33 O ATOM 102 CB ASP A 8 2.368 -2.919 -7.484 1.00 51.01 C ATOM 103 CG ASP A 8 1.179 -3.852 -7.364 1.00 12.34 C ATOM 104 OD1 ASP A 8 0.038 -3.388 -7.562 1.00 72.31 O ATOM 105 OD2 ASP A 8 1.392 -5.048 -7.073 1.00 53.14 O ATOM 0 H ASP A 8 4.778 -3.432 -7.122 1.00 21.20 H new ATOM 0 HA ASP A 8 2.884 -4.161 -9.159 1.00 24.33 H new ATOM 0 HB2 ASP A 8 2.917 -2.912 -6.542 1.00 51.01 H new ATOM 0 HB3 ASP A 8 2.013 -1.903 -7.653 1.00 51.01 H new ATOM 110 N TRP A 9 4.472 -1.310 -9.326 1.00 1.34 N ATOM 111 CA TRP A 9 4.739 -0.158 -10.177 1.00 75.42 C ATOM 112 C TRP A 9 5.131 -0.597 -11.583 1.00 41.44 C ATOM 113 O TRP A 9 4.564 -0.132 -12.572 1.00 74.31 O ATOM 114 CB TRP A 9 5.848 0.704 -9.571 1.00 44.54 C ATOM 115 CG TRP A 9 6.301 1.811 -10.474 1.00 14.10 C ATOM 116 CD1 TRP A 9 7.588 2.125 -10.806 1.00 22.03 C ATOM 117 CD2 TRP A 9 5.467 2.753 -11.158 1.00 54.44 C ATOM 118 NE1 TRP A 9 7.605 3.204 -11.655 1.00 74.13 N ATOM 119 CE2 TRP A 9 6.317 3.608 -11.888 1.00 32.21 C ATOM 120 CE3 TRP A 9 4.087 2.957 -11.229 1.00 3.11 C ATOM 121 CZ2 TRP A 9 5.829 4.648 -12.675 1.00 14.31 C ATOM 122 CZ3 TRP A 9 3.604 3.990 -12.009 1.00 42.54 C ATOM 123 CH2 TRP A 9 4.474 4.824 -12.724 1.00 62.42 C ATOM 0 H TRP A 9 5.102 -1.400 -8.529 1.00 1.34 H new ATOM 0 HA TRP A 9 3.825 0.432 -10.243 1.00 75.42 H new ATOM 0 HB2 TRP A 9 5.494 1.132 -8.633 1.00 44.54 H new ATOM 0 HB3 TRP A 9 6.701 0.069 -9.330 1.00 44.54 H new ATOM 0 HD1 TRP A 9 8.464 1.601 -10.453 1.00 22.03 H new ATOM 0 HE1 TRP A 9 8.441 3.635 -12.049 1.00 74.13 H new ATOM 0 HE3 TRP A 9 3.409 2.318 -10.683 1.00 3.11 H new ATOM 0 HZ2 TRP A 9 6.497 5.293 -13.227 1.00 14.31 H new ATOM 0 HZ3 TRP A 9 2.539 4.157 -12.069 1.00 42.54 H new ATOM 0 HH2 TRP A 9 4.066 5.622 -13.326 1.00 62.42 H new ATOM 134 N LYS A 10 6.104 -1.499 -11.667 1.00 72.32 N ATOM 135 CA LYS A 10 6.571 -2.004 -12.952 1.00 32.01 C ATOM 136 C LYS A 10 5.543 -2.944 -13.574 1.00 34.22 C ATOM 137 O LYS A 10 5.399 -3.001 -14.794 1.00 51.24 O ATOM 138 CB LYS A 10 7.906 -2.732 -12.782 1.00 53.02 C ATOM 139 CG LYS A 10 8.673 -2.907 -14.081 1.00 54.11 C ATOM 140 CD LYS A 10 9.337 -1.611 -14.516 1.00 32.23 C ATOM 141 CE LYS A 10 9.740 -1.656 -15.982 1.00 73.12 C ATOM 142 NZ LYS A 10 11.184 -1.347 -16.170 1.00 53.33 N ATOM 0 H LYS A 10 6.584 -1.895 -10.859 1.00 72.32 H new ATOM 0 HA LYS A 10 6.710 -1.154 -13.619 1.00 32.01 H new ATOM 0 HB2 LYS A 10 8.525 -2.178 -12.076 1.00 53.02 H new ATOM 0 HB3 LYS A 10 7.722 -3.713 -12.343 1.00 53.02 H new ATOM 0 HG2 LYS A 10 9.430 -3.681 -13.956 1.00 54.11 H new ATOM 0 HG3 LYS A 10 7.994 -3.249 -14.862 1.00 54.11 H new ATOM 0 HD2 LYS A 10 8.654 -0.778 -14.351 1.00 32.23 H new ATOM 0 HD3 LYS A 10 10.218 -1.428 -13.901 1.00 32.23 H new ATOM 0 HE2 LYS A 10 9.524 -2.644 -16.388 1.00 73.12 H new ATOM 0 HE3 LYS A 10 9.139 -0.942 -16.546 1.00 73.12 H new ATOM 0 HZ1 LYS A 10 11.419 -1.388 -17.182 1.00 53.33 H new ATOM 0 HZ2 LYS A 10 11.385 -0.394 -15.806 1.00 53.33 H new ATOM 0 HZ3 LYS A 10 11.758 -2.043 -15.653 1.00 53.33 H new ATOM 156 N MET A 11 4.831 -3.678 -12.725 1.00 5.40 N ATOM 157 CA MET A 11 3.814 -4.613 -13.193 1.00 30.24 C ATOM 158 C MET A 11 2.635 -3.869 -13.813 1.00 2.44 C ATOM 159 O MET A 11 2.161 -4.228 -14.890 1.00 43.31 O ATOM 160 CB MET A 11 3.328 -5.491 -12.038 1.00 33.43 C ATOM 161 CG MET A 11 2.260 -6.493 -12.443 1.00 1.51 C ATOM 162 SD MET A 11 2.759 -8.200 -12.140 1.00 72.14 S ATOM 163 CE MET A 11 3.441 -8.642 -13.736 1.00 52.15 C ATOM 0 H MET A 11 4.939 -3.644 -11.711 1.00 5.40 H new ATOM 0 HA MET A 11 4.263 -5.247 -13.958 1.00 30.24 H new ATOM 0 HB2 MET A 11 4.178 -6.029 -11.619 1.00 33.43 H new ATOM 0 HB3 MET A 11 2.934 -4.852 -11.248 1.00 33.43 H new ATOM 0 HG2 MET A 11 1.343 -6.283 -11.892 1.00 1.51 H new ATOM 0 HG3 MET A 11 2.032 -6.367 -13.501 1.00 1.51 H new ATOM 0 HE1 MET A 11 3.794 -9.673 -13.708 1.00 52.15 H new ATOM 0 HE2 MET A 11 2.671 -8.542 -14.501 1.00 52.15 H new ATOM 0 HE3 MET A 11 4.274 -7.980 -13.972 1.00 52.15 H new ATOM 173 N ALA A 12 2.167 -2.833 -13.125 1.00 0.10 N ATOM 174 CA ALA A 12 1.045 -2.039 -13.609 1.00 41.34 C ATOM 175 C ALA A 12 1.397 -1.329 -14.912 1.00 42.21 C ATOM 176 O ALA A 12 0.731 -1.515 -15.931 1.00 43.43 O ATOM 177 CB ALA A 12 0.619 -1.029 -12.555 1.00 3.33 C ATOM 0 H ALA A 12 2.548 -2.524 -12.231 1.00 0.10 H new ATOM 0 HA ALA A 12 0.213 -2.715 -13.806 1.00 41.34 H new ATOM 0 HB1 ALA A 12 -0.220 -0.443 -12.931 1.00 3.33 H new ATOM 0 HB2 ALA A 12 0.318 -1.554 -11.649 1.00 3.33 H new ATOM 0 HB3 ALA A 12 1.453 -0.365 -12.329 1.00 3.33 H new ATOM 183 N ILE A 13 2.447 -0.515 -14.872 1.00 61.43 N ATOM 184 CA ILE A 13 2.886 0.222 -16.051 1.00 0.45 C ATOM 185 C ILE A 13 3.072 -0.709 -17.244 1.00 40.30 C ATOM 186 O ILE A 13 2.758 -0.351 -18.380 1.00 31.44 O ATOM 187 CB ILE A 13 4.207 0.969 -15.786 1.00 52.35 C ATOM 188 CG1 ILE A 13 4.017 2.012 -14.683 1.00 2.43 C ATOM 189 CG2 ILE A 13 4.708 1.626 -17.064 1.00 74.33 C ATOM 190 CD1 ILE A 13 3.112 3.155 -15.082 1.00 71.40 C ATOM 0 H ILE A 13 3.009 -0.349 -14.037 1.00 61.43 H new ATOM 0 HA ILE A 13 2.106 0.948 -16.279 1.00 0.45 H new ATOM 0 HB ILE A 13 4.954 0.249 -15.453 1.00 52.35 H new ATOM 0 HG12 ILE A 13 3.605 1.524 -13.800 1.00 2.43 H new ATOM 0 HG13 ILE A 13 4.991 2.412 -14.401 1.00 2.43 H new ATOM 0 HG21 ILE A 13 5.642 2.150 -16.862 1.00 74.33 H new ATOM 0 HG22 ILE A 13 4.877 0.863 -17.823 1.00 74.33 H new ATOM 0 HG23 ILE A 13 3.964 2.337 -17.424 1.00 74.33 H new ATOM 0 HD11 ILE A 13 3.023 3.856 -14.252 1.00 71.40 H new ATOM 0 HD12 ILE A 13 3.534 3.668 -15.946 1.00 71.40 H new ATOM 0 HD13 ILE A 13 2.126 2.767 -15.336 1.00 71.40 H new ATOM 202 N LYS A 14 3.583 -1.907 -16.979 1.00 71.24 N ATOM 203 CA LYS A 14 3.808 -2.892 -18.030 1.00 65.34 C ATOM 204 C LYS A 14 2.499 -3.254 -18.726 1.00 53.03 C ATOM 205 O LYS A 14 2.402 -3.202 -19.952 1.00 52.42 O ATOM 206 CB LYS A 14 4.452 -4.152 -17.447 1.00 54.22 C ATOM 207 CG LYS A 14 5.970 -4.104 -17.427 1.00 2.44 C ATOM 208 CD LYS A 14 6.557 -4.439 -18.788 1.00 73.24 C ATOM 209 CE LYS A 14 7.940 -5.058 -18.663 1.00 21.32 C ATOM 210 NZ LYS A 14 8.970 -4.269 -19.394 1.00 44.51 N ATOM 0 H LYS A 14 3.849 -2.219 -16.045 1.00 71.24 H new ATOM 0 HA LYS A 14 4.482 -2.453 -18.766 1.00 65.34 H new ATOM 0 HB2 LYS A 14 4.088 -4.299 -16.430 1.00 54.22 H new ATOM 0 HB3 LYS A 14 4.132 -5.016 -18.029 1.00 54.22 H new ATOM 0 HG2 LYS A 14 6.299 -3.111 -17.122 1.00 2.44 H new ATOM 0 HG3 LYS A 14 6.347 -4.807 -16.684 1.00 2.44 H new ATOM 0 HD2 LYS A 14 5.895 -5.129 -19.311 1.00 73.24 H new ATOM 0 HD3 LYS A 14 6.616 -3.534 -19.392 1.00 73.24 H new ATOM 0 HE2 LYS A 14 8.214 -5.125 -17.610 1.00 21.32 H new ATOM 0 HE3 LYS A 14 7.919 -6.076 -19.052 1.00 21.32 H new ATOM 0 HZ1 LYS A 14 9.899 -4.724 -19.284 1.00 44.51 H new ATOM 0 HZ2 LYS A 14 8.723 -4.226 -20.403 1.00 44.51 H new ATOM 0 HZ3 LYS A 14 9.009 -3.305 -19.006 1.00 44.51 H new ATOM 224 N ARG A 15 1.495 -3.618 -17.935 1.00 4.13 N ATOM 225 CA ARG A 15 0.192 -3.989 -18.476 1.00 35.43 C ATOM 226 C ARG A 15 -0.489 -2.786 -19.122 1.00 62.34 C ATOM 227 O ARG A 15 -0.976 -2.868 -20.251 1.00 23.42 O ATOM 228 CB ARG A 15 -0.698 -4.560 -17.372 1.00 1.23 C ATOM 229 CG ARG A 15 -0.278 -5.944 -16.905 1.00 1.55 C ATOM 230 CD ARG A 15 -1.237 -6.498 -15.863 1.00 64.34 C ATOM 231 NE ARG A 15 -1.857 -7.747 -16.299 1.00 74.24 N ATOM 232 CZ ARG A 15 -1.200 -8.895 -16.403 1.00 4.33 C ATOM 233 NH1 ARG A 15 0.091 -8.955 -16.105 1.00 71.54 N ATOM 234 NH2 ARG A 15 -1.834 -9.990 -16.807 1.00 74.40 N ATOM 0 H ARG A 15 1.558 -3.664 -16.918 1.00 4.13 H new ATOM 0 HA ARG A 15 0.346 -4.752 -19.239 1.00 35.43 H new ATOM 0 HB2 ARG A 15 -0.687 -3.880 -16.520 1.00 1.23 H new ATOM 0 HB3 ARG A 15 -1.726 -4.604 -17.732 1.00 1.23 H new ATOM 0 HG2 ARG A 15 -0.238 -6.620 -17.759 1.00 1.55 H new ATOM 0 HG3 ARG A 15 0.728 -5.898 -16.487 1.00 1.55 H new ATOM 0 HD2 ARG A 15 -0.700 -6.666 -14.929 1.00 64.34 H new ATOM 0 HD3 ARG A 15 -2.013 -5.761 -15.656 1.00 64.34 H new ATOM 0 HE ARG A 15 -2.849 -7.736 -16.536 1.00 74.24 H new ATOM 0 HH11 ARG A 15 0.582 -8.117 -15.795 1.00 71.54 H new ATOM 0 HH12 ARG A 15 0.593 -9.839 -16.186 1.00 71.54 H new ATOM 0 HH21 ARG A 15 -2.827 -9.949 -17.038 1.00 74.40 H new ATOM 0 HH22 ARG A 15 -1.328 -10.872 -16.887 1.00 74.40 H new ATOM 248 N CYS A 16 -0.521 -1.671 -18.400 1.00 21.35 N ATOM 249 CA CYS A 16 -1.144 -0.452 -18.901 1.00 2.31 C ATOM 250 C CYS A 16 -0.453 0.028 -20.173 1.00 52.33 C ATOM 251 O CYS A 16 -1.017 0.806 -20.943 1.00 34.12 O ATOM 252 CB CYS A 16 -1.099 0.644 -17.837 1.00 31.45 C ATOM 253 SG CYS A 16 -1.837 0.169 -16.256 1.00 61.45 S ATOM 0 H CYS A 16 -0.122 -1.587 -17.465 1.00 21.35 H new ATOM 0 HA CYS A 16 -2.184 -0.676 -19.136 1.00 2.31 H new ATOM 0 HB2 CYS A 16 -0.061 0.930 -17.670 1.00 31.45 H new ATOM 0 HB3 CYS A 16 -1.616 1.525 -18.217 1.00 31.45 H new ATOM 0 HG CYS A 16 -1.818 1.185 -15.445 1.00 61.45 H new ATOM 259 N SER A 17 0.773 -0.439 -20.387 1.00 31.25 N ATOM 260 CA SER A 17 1.545 -0.054 -21.563 1.00 72.30 C ATOM 261 C SER A 17 0.822 -0.459 -22.843 1.00 75.24 C ATOM 262 O SER A 17 1.110 0.059 -23.922 1.00 12.53 O ATOM 263 CB SER A 17 2.933 -0.696 -21.522 1.00 25.40 C ATOM 264 OG SER A 17 3.026 -1.765 -22.447 1.00 11.11 O ATOM 0 H SER A 17 1.253 -1.085 -19.761 1.00 31.25 H new ATOM 0 HA SER A 17 1.655 1.030 -21.556 1.00 72.30 H new ATOM 0 HB2 SER A 17 3.691 0.053 -21.750 1.00 25.40 H new ATOM 0 HB3 SER A 17 3.139 -1.062 -20.516 1.00 25.40 H new ATOM 0 HG SER A 17 2.846 -2.612 -21.988 1.00 11.11 H new ATOM 270 N ASN A 18 -0.120 -1.387 -22.716 1.00 20.34 N ATOM 271 CA ASN A 18 -0.886 -1.862 -23.862 1.00 52.33 C ATOM 272 C ASN A 18 -2.212 -1.116 -23.980 1.00 14.53 C ATOM 273 O ASN A 18 -3.192 -1.649 -24.498 1.00 21.41 O ATOM 274 CB ASN A 18 -1.143 -3.366 -23.742 1.00 53.25 C ATOM 275 CG ASN A 18 -1.217 -4.049 -25.094 1.00 20.10 C ATOM 276 OD1 ASN A 18 -2.282 -4.502 -25.515 1.00 12.11 O ATOM 277 ND2 ASN A 18 -0.083 -4.127 -25.781 1.00 54.24 N ATOM 0 H ASN A 18 -0.372 -1.826 -21.830 1.00 20.34 H new ATOM 0 HA ASN A 18 -0.301 -1.670 -24.762 1.00 52.33 H new ATOM 0 HB2 ASN A 18 -0.349 -3.822 -23.151 1.00 53.25 H new ATOM 0 HB3 ASN A 18 -2.076 -3.531 -23.203 1.00 53.25 H new ATOM 0 HD21 ASN A 18 -0.071 -4.576 -26.697 1.00 54.24 H new ATOM 0 HD22 ASN A 18 0.776 -3.738 -25.393 1.00 54.24 H new ATOM 284 N VAL A 19 -2.232 0.122 -23.494 1.00 4.23 N ATOM 285 CA VAL A 19 -3.436 0.942 -23.545 1.00 1.00 C ATOM 286 C VAL A 19 -3.384 1.922 -24.712 1.00 43.23 C ATOM 287 O VAL A 19 -2.341 2.508 -24.998 1.00 14.35 O ATOM 288 CB VAL A 19 -3.635 1.729 -22.236 1.00 60.02 C ATOM 289 CG1 VAL A 19 -2.631 2.868 -22.140 1.00 65.23 C ATOM 290 CG2 VAL A 19 -5.059 2.254 -22.142 1.00 62.21 C ATOM 0 H VAL A 19 -1.429 0.578 -23.061 1.00 4.23 H new ATOM 0 HA VAL A 19 -4.277 0.262 -23.682 1.00 1.00 H new ATOM 0 HB VAL A 19 -3.464 1.054 -21.397 1.00 60.02 H new ATOM 0 HG11 VAL A 19 -2.787 3.413 -21.209 1.00 65.23 H new ATOM 0 HG12 VAL A 19 -1.619 2.464 -22.159 1.00 65.23 H new ATOM 0 HG13 VAL A 19 -2.767 3.545 -22.983 1.00 65.23 H new ATOM 0 HG21 VAL A 19 -5.182 2.808 -21.211 1.00 62.21 H new ATOM 0 HG22 VAL A 19 -5.260 2.914 -22.986 1.00 62.21 H new ATOM 0 HG23 VAL A 19 -5.757 1.417 -22.162 1.00 62.21 H new ATOM 300 N ALA A 20 -4.518 2.095 -25.383 1.00 65.33 N ATOM 301 CA ALA A 20 -4.603 3.006 -26.518 1.00 70.30 C ATOM 302 C ALA A 20 -5.125 4.373 -26.087 1.00 5.54 C ATOM 303 O ALA A 20 -5.667 4.525 -24.992 1.00 3.34 O ATOM 304 CB ALA A 20 -5.492 2.417 -27.603 1.00 22.20 C ATOM 0 H ALA A 20 -5.391 1.616 -25.160 1.00 65.33 H new ATOM 0 HA ALA A 20 -3.599 3.140 -26.920 1.00 70.30 H new ATOM 0 HB1 ALA A 20 -5.546 3.108 -28.444 1.00 22.20 H new ATOM 0 HB2 ALA A 20 -5.075 1.468 -27.940 1.00 22.20 H new ATOM 0 HB3 ALA A 20 -6.493 2.252 -27.204 1.00 22.20 H new ATOM 310 N VAL A 21 -4.959 5.366 -26.956 1.00 11.14 N ATOM 311 CA VAL A 21 -5.413 6.720 -26.664 1.00 62.13 C ATOM 312 C VAL A 21 -6.722 7.027 -27.384 1.00 4.33 C ATOM 313 O VAL A 21 -7.514 7.852 -26.931 1.00 10.10 O ATOM 314 CB VAL A 21 -4.359 7.766 -27.071 1.00 60.14 C ATOM 315 CG1 VAL A 21 -3.029 7.477 -26.391 1.00 23.42 C ATOM 316 CG2 VAL A 21 -4.196 7.798 -28.584 1.00 64.43 C ATOM 0 H VAL A 21 -4.514 5.258 -27.867 1.00 11.14 H new ATOM 0 HA VAL A 21 -5.571 6.775 -25.587 1.00 62.13 H new ATOM 0 HB VAL A 21 -4.702 8.747 -26.744 1.00 60.14 H new ATOM 0 HG11 VAL A 21 -2.297 8.227 -26.691 1.00 23.42 H new ATOM 0 HG12 VAL A 21 -3.159 7.509 -25.309 1.00 23.42 H new ATOM 0 HG13 VAL A 21 -2.677 6.488 -26.685 1.00 23.42 H new ATOM 0 HG21 VAL A 21 -3.447 8.543 -28.854 1.00 64.43 H new ATOM 0 HG22 VAL A 21 -3.876 6.817 -28.936 1.00 64.43 H new ATOM 0 HG23 VAL A 21 -5.148 8.057 -29.047 1.00 64.43 H new ATOM 396 N LYS A 28 -2.252 4.975 -31.346 1.00 40.01 N ATOM 397 CA LYS A 28 -1.056 5.035 -30.514 1.00 1.12 C ATOM 398 C LYS A 28 -1.376 4.649 -29.074 1.00 32.21 C ATOM 399 O LYS A 28 -2.513 4.786 -28.621 1.00 13.22 O ATOM 400 CB LYS A 28 -0.452 6.440 -30.556 1.00 2.44 C ATOM 401 CG LYS A 28 0.662 6.593 -31.577 1.00 31.14 C ATOM 402 CD LYS A 28 0.401 7.757 -32.516 1.00 74.45 C ATOM 403 CE LYS A 28 0.917 9.067 -31.938 1.00 50.02 C ATOM 404 NZ LYS A 28 2.092 9.582 -32.694 1.00 44.44 N ATOM 0 HA LYS A 28 -0.331 4.323 -30.909 1.00 1.12 H new ATOM 0 HB2 LYS A 28 -1.240 7.159 -30.780 1.00 2.44 H new ATOM 0 HB3 LYS A 28 -0.065 6.690 -29.568 1.00 2.44 H new ATOM 0 HG2 LYS A 28 1.610 6.745 -31.062 1.00 31.14 H new ATOM 0 HG3 LYS A 28 0.757 5.673 -32.154 1.00 31.14 H new ATOM 0 HD2 LYS A 28 0.882 7.567 -33.475 1.00 74.45 H new ATOM 0 HD3 LYS A 28 -0.669 7.839 -32.707 1.00 74.45 H new ATOM 0 HE2 LYS A 28 0.120 9.810 -31.955 1.00 50.02 H new ATOM 0 HE3 LYS A 28 1.193 8.920 -30.894 1.00 50.02 H new ATOM 0 HZ1 LYS A 28 2.414 10.475 -32.269 1.00 44.44 H new ATOM 0 HZ2 LYS A 28 2.862 8.884 -32.657 1.00 44.44 H new ATOM 0 HZ3 LYS A 28 1.822 9.747 -33.685 1.00 44.44 H new ATOM 418 N LYS A 29 -0.366 4.167 -28.357 1.00 73.14 N ATOM 419 CA LYS A 29 -0.537 3.764 -26.966 1.00 73.40 C ATOM 420 C LYS A 29 0.218 4.703 -26.031 1.00 14.11 C ATOM 421 O LYS A 29 1.088 5.460 -26.464 1.00 23.13 O ATOM 422 CB LYS A 29 -0.051 2.327 -26.766 1.00 53.35 C ATOM 423 CG LYS A 29 1.337 2.072 -27.327 1.00 40.31 C ATOM 424 CD LYS A 29 1.856 0.700 -26.930 1.00 30.34 C ATOM 425 CE LYS A 29 2.936 0.214 -27.884 1.00 34.24 C ATOM 426 NZ LYS A 29 2.819 -1.244 -28.157 1.00 4.54 N ATOM 0 H LYS A 29 0.581 4.046 -28.717 1.00 73.14 H new ATOM 0 HA LYS A 29 -1.599 3.818 -26.726 1.00 73.40 H new ATOM 0 HB2 LYS A 29 -0.051 2.097 -25.701 1.00 53.35 H new ATOM 0 HB3 LYS A 29 -0.756 1.644 -27.240 1.00 53.35 H new ATOM 0 HG2 LYS A 29 1.311 2.152 -28.414 1.00 40.31 H new ATOM 0 HG3 LYS A 29 2.022 2.839 -26.967 1.00 40.31 H new ATOM 0 HD2 LYS A 29 2.256 0.740 -25.917 1.00 30.34 H new ATOM 0 HD3 LYS A 29 1.031 -0.013 -26.919 1.00 30.34 H new ATOM 0 HE2 LYS A 29 2.867 0.766 -28.822 1.00 34.24 H new ATOM 0 HE3 LYS A 29 3.917 0.427 -27.460 1.00 34.24 H new ATOM 0 HZ1 LYS A 29 3.573 -1.536 -28.811 1.00 4.54 H new ATOM 0 HZ2 LYS A 29 2.910 -1.772 -27.266 1.00 4.54 H new ATOM 0 HZ3 LYS A 29 1.892 -1.444 -28.585 1.00 4.54 H new ATOM 440 N PHE A 30 -0.118 4.648 -24.746 1.00 60.11 N ATOM 441 CA PHE A 30 0.529 5.493 -23.749 1.00 72.23 C ATOM 442 C PHE A 30 1.982 5.077 -23.544 1.00 1.51 C ATOM 443 O PHE A 30 2.475 4.162 -24.202 1.00 14.15 O ATOM 444 CB PHE A 30 -0.227 5.421 -22.421 1.00 15.32 C ATOM 445 CG PHE A 30 -1.445 6.298 -22.375 1.00 52.24 C ATOM 446 CD1 PHE A 30 -2.451 6.158 -23.317 1.00 61.04 C ATOM 447 CD2 PHE A 30 -1.584 7.262 -21.389 1.00 50.04 C ATOM 448 CE1 PHE A 30 -3.574 6.964 -23.278 1.00 2.10 C ATOM 449 CE2 PHE A 30 -2.704 8.070 -21.346 1.00 30.44 C ATOM 450 CZ PHE A 30 -3.700 7.922 -22.291 1.00 1.21 C ATOM 0 H PHE A 30 -0.835 4.027 -24.371 1.00 60.11 H new ATOM 0 HA PHE A 30 0.512 6.520 -24.113 1.00 72.23 H new ATOM 0 HB2 PHE A 30 -0.526 4.389 -22.238 1.00 15.32 H new ATOM 0 HB3 PHE A 30 0.447 5.706 -21.613 1.00 15.32 H new ATOM 0 HD1 PHE A 30 -2.357 5.411 -24.091 1.00 61.04 H new ATOM 0 HD2 PHE A 30 -0.809 7.383 -20.647 1.00 50.04 H new ATOM 0 HE1 PHE A 30 -4.351 6.845 -24.018 1.00 2.10 H new ATOM 0 HE2 PHE A 30 -2.801 8.818 -20.573 1.00 30.44 H new ATOM 0 HZ PHE A 30 -4.575 8.554 -22.258 1.00 1.21 H new ATOM 460 N GLY A 31 2.663 5.758 -22.628 1.00 31.45 N ATOM 461 CA GLY A 31 4.054 5.446 -22.352 1.00 65.30 C ATOM 462 C GLY A 31 4.452 5.782 -20.929 1.00 2.14 C ATOM 463 O GLY A 31 3.598 6.065 -20.089 1.00 14.30 O ATOM 0 H GLY A 31 2.277 6.521 -22.072 1.00 31.45 H new ATOM 0 HA2 GLY A 31 4.228 4.386 -22.534 1.00 65.30 H new ATOM 0 HA3 GLY A 31 4.691 5.997 -23.044 1.00 65.30 H new ATOM 467 N GLU A 32 5.753 5.747 -20.656 1.00 45.45 N ATOM 468 CA GLU A 32 6.261 6.048 -19.323 1.00 41.30 C ATOM 469 C GLU A 32 5.976 7.498 -18.946 1.00 54.44 C ATOM 470 O GLU A 32 5.573 7.792 -17.822 1.00 3.31 O ATOM 471 CB GLU A 32 7.766 5.778 -19.255 1.00 4.04 C ATOM 472 CG GLU A 32 8.160 4.803 -18.158 1.00 0.52 C ATOM 473 CD GLU A 32 9.659 4.582 -18.083 1.00 30.51 C ATOM 474 OE1 GLU A 32 10.371 5.032 -19.005 1.00 62.34 O ATOM 475 OE2 GLU A 32 10.119 3.961 -17.103 1.00 15.31 O ATOM 0 H GLU A 32 6.473 5.513 -21.340 1.00 45.45 H new ATOM 0 HA GLU A 32 5.749 5.399 -18.612 1.00 41.30 H new ATOM 0 HB2 GLU A 32 8.100 5.386 -20.216 1.00 4.04 H new ATOM 0 HB3 GLU A 32 8.289 6.721 -19.097 1.00 4.04 H new ATOM 0 HG2 GLU A 32 7.804 5.178 -17.199 1.00 0.52 H new ATOM 0 HG3 GLU A 32 7.664 3.848 -18.331 1.00 0.52 H new ATOM 482 N GLY A 33 6.191 8.404 -19.896 1.00 43.25 N ATOM 483 CA GLY A 33 5.953 9.813 -19.646 1.00 64.52 C ATOM 484 C GLY A 33 4.476 10.151 -19.588 1.00 2.40 C ATOM 485 O GLY A 33 4.053 10.981 -18.784 1.00 2.12 O ATOM 0 H GLY A 33 6.526 8.186 -20.835 1.00 43.25 H new ATOM 0 HA2 GLY A 33 6.425 10.096 -18.705 1.00 64.52 H new ATOM 0 HA3 GLY A 33 6.427 10.403 -20.430 1.00 64.52 H new ATOM 489 N ASN A 34 3.689 9.506 -20.445 1.00 15.31 N ATOM 490 CA ASN A 34 2.252 9.744 -20.490 1.00 32.44 C ATOM 491 C ASN A 34 1.608 9.440 -19.140 1.00 60.51 C ATOM 492 O ASN A 34 0.857 10.254 -18.600 1.00 2.24 O ATOM 493 CB ASN A 34 1.605 8.888 -21.580 1.00 73.43 C ATOM 494 CG ASN A 34 0.725 9.702 -22.509 1.00 22.34 C ATOM 495 OD1 ASN A 34 0.880 9.656 -23.728 1.00 4.34 O ATOM 496 ND2 ASN A 34 -0.207 10.454 -21.933 1.00 0.25 N ATOM 0 H ASN A 34 4.023 8.815 -21.117 1.00 15.31 H new ATOM 0 HA ASN A 34 2.091 10.797 -20.721 1.00 32.44 H new ATOM 0 HB2 ASN A 34 2.384 8.395 -22.161 1.00 73.43 H new ATOM 0 HB3 ASN A 34 1.009 8.102 -21.115 1.00 73.43 H new ATOM 0 HD21 ASN A 34 -0.829 11.023 -22.507 1.00 0.25 H new ATOM 0 HD22 ASN A 34 -0.300 10.462 -20.917 1.00 0.25 H new ATOM 503 N PHE A 35 1.907 8.264 -18.599 1.00 42.54 N ATOM 504 CA PHE A 35 1.357 7.852 -17.313 1.00 5.42 C ATOM 505 C PHE A 35 1.873 8.745 -16.190 1.00 51.00 C ATOM 506 O PHE A 35 1.092 9.349 -15.454 1.00 24.31 O ATOM 507 CB PHE A 35 1.717 6.393 -17.025 1.00 4.13 C ATOM 508 CG PHE A 35 0.934 5.408 -17.846 1.00 40.13 C ATOM 509 CD1 PHE A 35 -0.439 5.533 -17.977 1.00 20.45 C ATOM 510 CD2 PHE A 35 1.572 4.359 -18.488 1.00 5.34 C ATOM 511 CE1 PHE A 35 -1.163 4.630 -18.732 1.00 24.14 C ATOM 512 CE2 PHE A 35 0.854 3.452 -19.245 1.00 22.24 C ATOM 513 CZ PHE A 35 -0.516 3.586 -19.366 1.00 72.44 C ATOM 0 H PHE A 35 2.527 7.579 -19.031 1.00 42.54 H new ATOM 0 HA PHE A 35 0.272 7.949 -17.362 1.00 5.42 H new ATOM 0 HB2 PHE A 35 2.781 6.246 -17.213 1.00 4.13 H new ATOM 0 HB3 PHE A 35 1.549 6.188 -15.968 1.00 4.13 H new ATOM 0 HD1 PHE A 35 -0.950 6.346 -17.483 1.00 20.45 H new ATOM 0 HD2 PHE A 35 2.642 4.249 -18.396 1.00 5.34 H new ATOM 0 HE1 PHE A 35 -2.233 4.740 -18.827 1.00 24.14 H new ATOM 0 HE2 PHE A 35 1.363 2.639 -19.741 1.00 22.24 H new ATOM 0 HZ PHE A 35 -1.080 2.877 -19.954 1.00 72.44 H new ATOM 523 N ARG A 36 3.194 8.826 -16.064 1.00 5.45 N ATOM 524 CA ARG A 36 3.814 9.643 -15.029 1.00 52.33 C ATOM 525 C ARG A 36 3.311 11.082 -15.099 1.00 51.43 C ATOM 526 O ARG A 36 3.297 11.795 -14.095 1.00 11.24 O ATOM 527 CB ARG A 36 5.337 9.617 -15.174 1.00 2.13 C ATOM 528 CG ARG A 36 5.966 8.298 -14.755 1.00 64.11 C ATOM 529 CD ARG A 36 7.385 8.164 -15.286 1.00 5.23 C ATOM 530 NE ARG A 36 8.379 8.581 -14.301 1.00 42.41 N ATOM 531 CZ ARG A 36 9.679 8.671 -14.562 1.00 32.23 C ATOM 532 NH1 ARG A 36 10.138 8.376 -15.770 1.00 44.22 N ATOM 533 NH2 ARG A 36 10.521 9.058 -13.613 1.00 34.11 N ATOM 0 H ARG A 36 3.855 8.335 -16.666 1.00 5.45 H new ATOM 0 HA ARG A 36 3.540 9.227 -14.059 1.00 52.33 H new ATOM 0 HB2 ARG A 36 5.598 9.821 -16.212 1.00 2.13 H new ATOM 0 HB3 ARG A 36 5.764 10.421 -14.574 1.00 2.13 H new ATOM 0 HG2 ARG A 36 5.975 8.227 -13.667 1.00 64.11 H new ATOM 0 HG3 ARG A 36 5.359 7.471 -15.123 1.00 64.11 H new ATOM 0 HD2 ARG A 36 7.569 7.128 -15.571 1.00 5.23 H new ATOM 0 HD3 ARG A 36 7.493 8.767 -16.188 1.00 5.23 H new ATOM 0 HE ARG A 36 8.058 8.816 -13.362 1.00 42.41 H new ATOM 0 HH11 ARG A 36 9.493 8.079 -16.502 1.00 44.22 H new ATOM 0 HH12 ARG A 36 11.136 8.446 -15.967 1.00 44.22 H new ATOM 0 HH21 ARG A 36 10.171 9.287 -12.683 1.00 34.11 H new ATOM 0 HH22 ARG A 36 11.519 9.127 -13.814 1.00 34.11 H new ATOM 547 N TRP A 37 2.899 11.502 -16.289 1.00 44.25 N ATOM 548 CA TRP A 37 2.395 12.855 -16.491 1.00 14.12 C ATOM 549 C TRP A 37 1.037 13.036 -15.821 1.00 51.01 C ATOM 550 O TRP A 37 0.872 13.894 -14.954 1.00 51.34 O ATOM 551 CB TRP A 37 2.286 13.165 -17.985 1.00 34.22 C ATOM 552 CG TRP A 37 1.590 14.460 -18.274 1.00 33.41 C ATOM 553 CD1 TRP A 37 2.156 15.703 -18.313 1.00 62.51 C ATOM 554 CD2 TRP A 37 0.200 14.640 -18.561 1.00 60.31 C ATOM 555 NE1 TRP A 37 1.198 16.645 -18.608 1.00 52.51 N ATOM 556 CE2 TRP A 37 -0.009 16.018 -18.766 1.00 13.23 C ATOM 557 CE3 TRP A 37 -0.890 13.771 -18.668 1.00 34.13 C ATOM 558 CZ2 TRP A 37 -1.262 16.545 -19.069 1.00 12.14 C ATOM 559 CZ3 TRP A 37 -2.133 14.295 -18.968 1.00 34.32 C ATOM 560 CH2 TRP A 37 -2.311 15.671 -19.166 1.00 41.03 C ATOM 0 H TRP A 37 2.904 10.924 -17.130 1.00 44.25 H new ATOM 0 HA TRP A 37 3.100 13.550 -16.034 1.00 14.12 H new ATOM 0 HB2 TRP A 37 3.287 13.194 -18.416 1.00 34.22 H new ATOM 0 HB3 TRP A 37 1.750 12.355 -18.479 1.00 34.22 H new ATOM 0 HD1 TRP A 37 3.201 15.915 -18.138 1.00 62.51 H new ATOM 0 HE1 TRP A 37 1.360 17.648 -18.695 1.00 52.51 H new ATOM 0 HE3 TRP A 37 -0.763 12.709 -18.519 1.00 34.13 H new ATOM 0 HZ2 TRP A 37 -1.401 17.605 -19.222 1.00 12.14 H new ATOM 0 HZ3 TRP A 37 -2.982 13.633 -19.051 1.00 34.32 H new ATOM 0 HH2 TRP A 37 -3.295 16.049 -19.400 1.00 41.03 H new ATOM 571 N ALA A 38 0.069 12.222 -16.228 1.00 42.13 N ATOM 572 CA ALA A 38 -1.274 12.291 -15.665 1.00 70.11 C ATOM 573 C ALA A 38 -1.271 11.906 -14.190 1.00 35.15 C ATOM 574 O ALA A 38 -1.852 12.602 -13.356 1.00 63.22 O ATOM 575 CB ALA A 38 -2.220 11.392 -16.446 1.00 25.21 C ATOM 0 H ALA A 38 0.190 11.507 -16.945 1.00 42.13 H new ATOM 0 HA ALA A 38 -1.622 13.321 -15.743 1.00 70.11 H new ATOM 0 HB1 ALA A 38 -3.219 11.453 -16.015 1.00 25.21 H new ATOM 0 HB2 ALA A 38 -2.253 11.715 -17.486 1.00 25.21 H new ATOM 0 HB3 ALA A 38 -1.866 10.362 -16.397 1.00 25.21 H new ATOM 581 N ILE A 39 -0.615 10.794 -13.875 1.00 32.43 N ATOM 582 CA ILE A 39 -0.538 10.318 -12.499 1.00 1.12 C ATOM 583 C ILE A 39 -0.004 11.403 -11.570 1.00 52.33 C ATOM 584 O ILE A 39 -0.556 11.644 -10.497 1.00 44.23 O ATOM 585 CB ILE A 39 0.361 9.073 -12.385 1.00 50.52 C ATOM 586 CG1 ILE A 39 -0.246 7.906 -13.167 1.00 0.42 C ATOM 587 CG2 ILE A 39 0.558 8.694 -10.924 1.00 41.51 C ATOM 588 CD1 ILE A 39 -1.542 7.393 -12.579 1.00 53.41 C ATOM 0 H ILE A 39 -0.130 10.206 -14.553 1.00 32.43 H new ATOM 0 HA ILE A 39 -1.552 10.054 -12.199 1.00 1.12 H new ATOM 0 HB ILE A 39 1.336 9.306 -12.814 1.00 50.52 H new ATOM 0 HG12 ILE A 39 -0.423 8.221 -14.195 1.00 0.42 H new ATOM 0 HG13 ILE A 39 0.475 7.090 -13.203 1.00 0.42 H new ATOM 0 HG21 ILE A 39 1.196 7.812 -10.860 1.00 41.51 H new ATOM 0 HG22 ILE A 39 1.029 9.522 -10.394 1.00 41.51 H new ATOM 0 HG23 ILE A 39 -0.409 8.476 -10.471 1.00 41.51 H new ATOM 0 HD11 ILE A 39 -1.914 6.567 -13.185 1.00 53.41 H new ATOM 0 HD12 ILE A 39 -1.367 7.046 -11.560 1.00 53.41 H new ATOM 0 HD13 ILE A 39 -2.279 8.196 -12.568 1.00 53.41 H new ATOM 600 N ARG A 40 1.074 12.057 -11.992 1.00 52.22 N ATOM 601 CA ARG A 40 1.683 13.118 -11.199 1.00 21.43 C ATOM 602 C ARG A 40 0.813 14.372 -11.209 1.00 13.03 C ATOM 603 O ARG A 40 0.539 14.957 -10.161 1.00 42.03 O ATOM 604 CB ARG A 40 3.078 13.448 -11.734 1.00 11.12 C ATOM 605 CG ARG A 40 3.803 14.513 -10.927 1.00 13.41 C ATOM 606 CD ARG A 40 5.288 14.541 -11.252 1.00 74.22 C ATOM 607 NE ARG A 40 6.070 15.163 -10.186 1.00 20.31 N ATOM 608 CZ ARG A 40 6.172 16.477 -10.019 1.00 22.14 C ATOM 609 NH1 ARG A 40 5.545 17.303 -10.845 1.00 30.44 N ATOM 610 NH2 ARG A 40 6.901 16.966 -9.024 1.00 54.14 N ATOM 0 H ARG A 40 1.543 11.871 -12.878 1.00 52.22 H new ATOM 0 HA ARG A 40 1.770 12.765 -10.172 1.00 21.43 H new ATOM 0 HB2 ARG A 40 3.679 12.539 -11.743 1.00 11.12 H new ATOM 0 HB3 ARG A 40 2.992 13.783 -12.768 1.00 11.12 H new ATOM 0 HG2 ARG A 40 3.365 15.489 -11.134 1.00 13.41 H new ATOM 0 HG3 ARG A 40 3.666 14.322 -9.863 1.00 13.41 H new ATOM 0 HD2 ARG A 40 5.643 13.523 -11.415 1.00 74.22 H new ATOM 0 HD3 ARG A 40 5.445 15.086 -12.183 1.00 74.22 H new ATOM 0 HE ARG A 40 6.565 14.555 -9.534 1.00 20.31 H new ATOM 0 HH11 ARG A 40 4.983 16.930 -11.610 1.00 30.44 H new ATOM 0 HH12 ARG A 40 5.624 18.312 -10.715 1.00 30.44 H new ATOM 0 HH21 ARG A 40 7.384 16.333 -8.386 1.00 54.14 H new ATOM 0 HH22 ARG A 40 6.979 17.975 -8.897 1.00 54.14 H new ATOM 624 N MET A 41 0.383 14.778 -12.399 1.00 13.21 N ATOM 625 CA MET A 41 -0.456 15.962 -12.545 1.00 14.04 C ATOM 626 C MET A 41 -1.697 15.860 -11.665 1.00 61.44 C ATOM 627 O MET A 41 -2.202 16.867 -11.169 1.00 11.12 O ATOM 628 CB MET A 41 -0.866 16.146 -14.007 1.00 11.42 C ATOM 629 CG MET A 41 -1.686 17.401 -14.255 1.00 13.32 C ATOM 630 SD MET A 41 -2.493 17.396 -15.867 1.00 24.41 S ATOM 631 CE MET A 41 -3.882 18.484 -15.554 1.00 3.11 C ATOM 0 H MET A 41 0.601 14.305 -13.276 1.00 13.21 H new ATOM 0 HA MET A 41 0.123 16.829 -12.227 1.00 14.04 H new ATOM 0 HB2 MET A 41 0.031 16.180 -14.626 1.00 11.42 H new ATOM 0 HB3 MET A 41 -1.441 15.277 -14.327 1.00 11.42 H new ATOM 0 HG2 MET A 41 -2.441 17.497 -13.475 1.00 13.32 H new ATOM 0 HG3 MET A 41 -1.038 18.274 -14.180 1.00 13.32 H new ATOM 0 HE1 MET A 41 -4.788 18.047 -15.974 1.00 3.11 H new ATOM 0 HE2 MET A 41 -4.007 18.615 -14.479 1.00 3.11 H new ATOM 0 HE3 MET A 41 -3.697 19.453 -16.019 1.00 3.11 H new ATOM 641 N ALA A 42 -2.184 14.638 -11.476 1.00 64.32 N ATOM 642 CA ALA A 42 -3.366 14.405 -10.655 1.00 64.42 C ATOM 643 C ALA A 42 -3.044 14.563 -9.173 1.00 73.44 C ATOM 644 O ALA A 42 -3.661 15.369 -8.477 1.00 10.11 O ATOM 645 CB ALA A 42 -3.935 13.021 -10.929 1.00 43.42 C ATOM 0 H ALA A 42 -1.778 13.794 -11.880 1.00 64.32 H new ATOM 0 HA ALA A 42 -4.115 15.152 -10.919 1.00 64.42 H new ATOM 0 HB1 ALA A 42 -4.817 12.861 -10.309 1.00 43.42 H new ATOM 0 HB2 ALA A 42 -4.211 12.943 -11.980 1.00 43.42 H new ATOM 0 HB3 ALA A 42 -3.185 12.266 -10.694 1.00 43.42 H new ATOM 651 N ASN A 43 -2.075 13.788 -8.697 1.00 62.33 N ATOM 652 CA ASN A 43 -1.673 13.843 -7.296 1.00 5.13 C ATOM 653 C ASN A 43 -1.246 15.254 -6.907 1.00 30.23 C ATOM 654 O ASN A 43 -1.677 15.784 -5.883 1.00 30.41 O ATOM 655 CB ASN A 43 -0.529 12.860 -7.035 1.00 74.41 C ATOM 656 CG ASN A 43 -0.854 11.456 -7.502 1.00 44.01 C ATOM 657 OD1 ASN A 43 -2.012 11.130 -7.768 1.00 12.25 O ATOM 658 ND2 ASN A 43 0.169 10.615 -7.607 1.00 34.53 N ATOM 0 H ASN A 43 -1.554 13.115 -9.260 1.00 62.33 H new ATOM 0 HA ASN A 43 -2.531 13.563 -6.685 1.00 5.13 H new ATOM 0 HB2 ASN A 43 0.370 13.210 -7.543 1.00 74.41 H new ATOM 0 HB3 ASN A 43 -0.305 12.842 -5.968 1.00 74.41 H new ATOM 0 HD21 ASN A 43 0.011 9.657 -7.918 1.00 34.53 H new ATOM 0 HD22 ASN A 43 1.112 10.928 -7.376 1.00 34.53 H new ATOM 665 N VAL A 44 -0.397 15.858 -7.730 1.00 52.53 N ATOM 666 CA VAL A 44 0.088 17.209 -7.474 1.00 65.14 C ATOM 667 C VAL A 44 -1.061 18.212 -7.466 1.00 14.41 C ATOM 668 O VAL A 44 -1.098 19.120 -6.635 1.00 62.55 O ATOM 669 CB VAL A 44 1.127 17.643 -8.526 1.00 61.10 C ATOM 670 CG1 VAL A 44 1.614 19.056 -8.245 1.00 11.14 C ATOM 671 CG2 VAL A 44 2.291 16.665 -8.559 1.00 30.23 C ATOM 0 H VAL A 44 -0.030 15.433 -8.581 1.00 52.53 H new ATOM 0 HA VAL A 44 0.562 17.194 -6.492 1.00 65.14 H new ATOM 0 HB VAL A 44 0.650 17.638 -9.506 1.00 61.10 H new ATOM 0 HG11 VAL A 44 2.347 19.345 -8.998 1.00 11.14 H new ATOM 0 HG12 VAL A 44 0.770 19.745 -8.277 1.00 11.14 H new ATOM 0 HG13 VAL A 44 2.075 19.093 -7.258 1.00 11.14 H new ATOM 0 HG21 VAL A 44 3.015 16.987 -9.307 1.00 30.23 H new ATOM 0 HG22 VAL A 44 2.769 16.636 -7.580 1.00 30.23 H new ATOM 0 HG23 VAL A 44 1.924 15.671 -8.813 1.00 30.23 H new ATOM 681 N SER A 45 -1.994 18.042 -8.396 1.00 0.54 N ATOM 682 CA SER A 45 -3.143 18.934 -8.499 1.00 35.42 C ATOM 683 C SER A 45 -3.937 18.950 -7.196 1.00 1.40 C ATOM 684 O SER A 45 -4.645 19.912 -6.897 1.00 52.31 O ATOM 685 CB SER A 45 -4.046 18.505 -9.656 1.00 62.31 C ATOM 686 OG SER A 45 -3.627 19.091 -10.876 1.00 53.13 O ATOM 0 H SER A 45 -1.977 17.294 -9.090 1.00 0.54 H new ATOM 0 HA SER A 45 -2.774 19.942 -8.691 1.00 35.42 H new ATOM 0 HB2 SER A 45 -4.033 17.419 -9.748 1.00 62.31 H new ATOM 0 HB3 SER A 45 -5.075 18.795 -9.445 1.00 62.31 H new ATOM 0 HG SER A 45 -3.019 18.479 -11.341 1.00 53.13 H new ATOM 692 N THR A 46 -3.815 17.875 -6.423 1.00 73.13 N ATOM 693 CA THR A 46 -4.521 17.762 -5.154 1.00 32.32 C ATOM 694 C THR A 46 -3.590 18.043 -3.980 1.00 74.05 C ATOM 695 O THR A 46 -3.974 17.893 -2.821 1.00 10.11 O ATOM 696 CB THR A 46 -5.142 16.364 -4.979 1.00 34.23 C ATOM 697 OG1 THR A 46 -4.281 15.371 -5.545 1.00 43.21 O ATOM 698 CG2 THR A 46 -6.510 16.293 -5.639 1.00 43.32 C ATOM 0 H THR A 46 -3.233 17.070 -6.655 1.00 73.13 H new ATOM 0 HA THR A 46 -5.318 18.506 -5.168 1.00 32.32 H new ATOM 0 HB THR A 46 -5.261 16.175 -3.912 1.00 34.23 H new ATOM 0 HG1 THR A 46 -3.352 15.566 -5.302 1.00 43.21 H new ATOM 0 HG21 THR A 46 -6.929 15.296 -5.502 1.00 43.32 H new ATOM 0 HG22 THR A 46 -7.172 17.030 -5.184 1.00 43.32 H new ATOM 0 HG23 THR A 46 -6.411 16.502 -6.704 1.00 43.32 H new ATOM 706 N GLY A 47 -2.363 18.453 -4.289 1.00 33.15 N ATOM 707 CA GLY A 47 -1.396 18.749 -3.247 1.00 62.52 C ATOM 708 C GLY A 47 -1.253 17.617 -2.250 1.00 50.21 C ATOM 709 O GLY A 47 -1.073 17.853 -1.055 1.00 64.11 O ATOM 0 H GLY A 47 -2.022 18.585 -5.241 1.00 33.15 H new ATOM 0 HA2 GLY A 47 -0.427 18.952 -3.702 1.00 62.52 H new ATOM 0 HA3 GLY A 47 -1.698 19.655 -2.722 1.00 62.52 H new ATOM 713 N ARG A 48 -1.334 16.384 -2.740 1.00 61.03 N ATOM 714 CA ARG A 48 -1.215 15.212 -1.883 1.00 25.41 C ATOM 715 C ARG A 48 0.242 14.780 -1.752 1.00 31.44 C ATOM 716 O ARG A 48 0.854 14.327 -2.717 1.00 4.21 O ATOM 717 CB ARG A 48 -2.052 14.058 -2.441 1.00 73.12 C ATOM 718 CG ARG A 48 -3.519 14.124 -2.048 1.00 42.30 C ATOM 719 CD ARG A 48 -4.113 12.734 -1.883 1.00 20.21 C ATOM 720 NE ARG A 48 -3.861 12.186 -0.553 1.00 21.33 N ATOM 721 CZ ARG A 48 -4.547 11.173 -0.034 1.00 35.21 C ATOM 722 NH1 ARG A 48 -5.521 10.602 -0.728 1.00 40.42 N ATOM 723 NH2 ARG A 48 -4.258 10.731 1.183 1.00 11.35 N ATOM 0 H ARG A 48 -1.482 16.172 -3.727 1.00 61.03 H new ATOM 0 HA ARG A 48 -1.588 15.477 -0.894 1.00 25.41 H new ATOM 0 HB2 ARG A 48 -1.976 14.058 -3.528 1.00 73.12 H new ATOM 0 HB3 ARG A 48 -1.633 13.114 -2.092 1.00 73.12 H new ATOM 0 HG2 ARG A 48 -3.623 14.679 -1.115 1.00 42.30 H new ATOM 0 HG3 ARG A 48 -4.076 14.672 -2.808 1.00 42.30 H new ATOM 0 HD2 ARG A 48 -5.188 12.776 -2.060 1.00 20.21 H new ATOM 0 HD3 ARG A 48 -3.691 12.068 -2.636 1.00 20.21 H new ATOM 0 HE ARG A 48 -3.118 12.603 0.008 1.00 21.33 H new ATOM 0 HH11 ARG A 48 -5.746 10.940 -1.664 1.00 40.42 H new ATOM 0 HH12 ARG A 48 -6.045 9.825 -0.326 1.00 40.42 H new ATOM 0 HH21 ARG A 48 -3.509 11.169 1.720 1.00 11.35 H new ATOM 0 HH22 ARG A 48 -4.784 9.954 1.582 1.00 11.35 H new ATOM 773 N ASP A 52 1.571 9.720 -5.127 1.00 12.03 N ATOM 774 CA ASP A 52 2.599 9.376 -6.102 1.00 42.01 C ATOM 775 C ASP A 52 2.150 8.209 -6.976 1.00 51.52 C ATOM 776 O ASP A 52 1.780 8.396 -8.136 1.00 12.00 O ATOM 777 CB ASP A 52 3.908 9.024 -5.393 1.00 31.32 C ATOM 778 CG ASP A 52 4.748 10.248 -5.086 1.00 23.43 C ATOM 779 OD1 ASP A 52 5.271 10.863 -6.039 1.00 73.23 O ATOM 780 OD2 ASP A 52 4.881 10.591 -3.893 1.00 51.25 O ATOM 0 HA ASP A 52 2.763 10.244 -6.741 1.00 42.01 H new ATOM 0 HB2 ASP A 52 3.685 8.498 -4.465 1.00 31.32 H new ATOM 0 HB3 ASP A 52 4.483 8.340 -6.017 1.00 31.32 H new ATOM 785 N ILE A 53 2.186 7.006 -6.413 1.00 41.34 N ATOM 786 CA ILE A 53 1.783 5.810 -7.142 1.00 54.01 C ATOM 787 C ILE A 53 0.930 4.895 -6.268 1.00 74.23 C ATOM 788 O ILE A 53 1.384 3.859 -5.783 1.00 73.11 O ATOM 789 CB ILE A 53 3.005 5.021 -7.650 1.00 72.23 C ATOM 790 CG1 ILE A 53 3.934 5.939 -8.448 1.00 24.43 C ATOM 791 CG2 ILE A 53 2.557 3.842 -8.500 1.00 31.21 C ATOM 792 CD1 ILE A 53 3.302 6.494 -9.705 1.00 43.40 C ATOM 0 H ILE A 53 2.490 6.834 -5.455 1.00 41.34 H new ATOM 0 HA ILE A 53 1.196 6.145 -7.997 1.00 54.01 H new ATOM 0 HB ILE A 53 3.555 4.636 -6.791 1.00 72.23 H new ATOM 0 HG12 ILE A 53 4.247 6.767 -7.812 1.00 24.43 H new ATOM 0 HG13 ILE A 53 4.834 5.386 -8.717 1.00 24.43 H new ATOM 0 HG21 ILE A 53 3.431 3.294 -8.852 1.00 31.21 H new ATOM 0 HG22 ILE A 53 1.930 3.180 -7.903 1.00 31.21 H new ATOM 0 HG23 ILE A 53 1.988 4.206 -9.356 1.00 31.21 H new ATOM 0 HD11 ILE A 53 4.018 7.135 -10.219 1.00 43.40 H new ATOM 0 HD12 ILE A 53 3.014 5.672 -10.361 1.00 43.40 H new ATOM 0 HD13 ILE A 53 2.418 7.075 -9.442 1.00 43.40 H new ATOM 804 N PRO A 54 -0.337 5.286 -6.064 1.00 33.23 N ATOM 805 CA PRO A 54 -1.282 4.515 -5.250 1.00 52.34 C ATOM 806 C PRO A 54 -1.689 3.207 -5.919 1.00 32.21 C ATOM 807 O PRO A 54 -2.101 3.195 -7.078 1.00 65.12 O ATOM 808 CB PRO A 54 -2.487 5.450 -5.125 1.00 22.22 C ATOM 809 CG PRO A 54 -2.410 6.332 -6.323 1.00 4.34 C ATOM 810 CD PRO A 54 -0.946 6.510 -6.612 1.00 15.51 C ATOM 0 HA PRO A 54 -0.852 4.222 -4.292 1.00 52.34 H new ATOM 0 HB2 PRO A 54 -3.422 4.890 -5.106 1.00 22.22 H new ATOM 0 HB3 PRO A 54 -2.444 6.030 -4.203 1.00 22.22 H new ATOM 0 HG2 PRO A 54 -2.924 5.882 -7.173 1.00 4.34 H new ATOM 0 HG3 PRO A 54 -2.890 7.292 -6.132 1.00 4.34 H new ATOM 0 HD2 PRO A 54 -0.757 6.609 -7.681 1.00 15.51 H new ATOM 0 HD3 PRO A 54 -0.548 7.405 -6.134 1.00 15.51 H new ATOM 818 N GLU A 55 -1.571 2.108 -5.181 1.00 22.11 N ATOM 819 CA GLU A 55 -1.928 0.795 -5.704 1.00 21.20 C ATOM 820 C GLU A 55 -3.265 0.327 -5.136 1.00 3.32 C ATOM 821 O GLU A 55 -3.452 -0.856 -4.850 1.00 10.22 O ATOM 822 CB GLU A 55 -0.836 -0.225 -5.373 1.00 43.34 C ATOM 823 CG GLU A 55 0.524 0.131 -5.950 1.00 34.23 C ATOM 824 CD GLU A 55 1.465 0.710 -4.911 1.00 70.41 C ATOM 825 OE1 GLU A 55 2.695 0.618 -5.108 1.00 21.12 O ATOM 826 OE2 GLU A 55 0.972 1.256 -3.902 1.00 24.14 O ATOM 0 H GLU A 55 -1.231 2.101 -4.219 1.00 22.11 H new ATOM 0 HA GLU A 55 -2.022 0.878 -6.787 1.00 21.20 H new ATOM 0 HB2 GLU A 55 -0.750 -0.314 -4.290 1.00 43.34 H new ATOM 0 HB3 GLU A 55 -1.137 -1.202 -5.750 1.00 43.34 H new ATOM 0 HG2 GLU A 55 0.974 -0.761 -6.386 1.00 34.23 H new ATOM 0 HG3 GLU A 55 0.394 0.850 -6.759 1.00 34.23 H new ATOM 833 N THR A 56 -4.193 1.265 -4.974 1.00 12.35 N ATOM 834 CA THR A 56 -5.511 0.951 -4.439 1.00 23.04 C ATOM 835 C THR A 56 -6.602 1.712 -5.183 1.00 23.35 C ATOM 836 O THR A 56 -6.535 2.933 -5.326 1.00 22.02 O ATOM 837 CB THR A 56 -5.602 1.284 -2.937 1.00 64.11 C ATOM 838 OG1 THR A 56 -5.689 2.701 -2.754 1.00 71.14 O ATOM 839 CG2 THR A 56 -4.392 0.744 -2.190 1.00 22.55 C ATOM 0 H THR A 56 -4.055 2.249 -5.206 1.00 12.35 H new ATOM 0 HA THR A 56 -5.660 -0.120 -4.576 1.00 23.04 H new ATOM 0 HB THR A 56 -6.498 0.811 -2.535 1.00 64.11 H new ATOM 0 HG1 THR A 56 -6.440 2.909 -2.159 1.00 71.14 H new ATOM 0 HG21 THR A 56 -4.478 0.991 -1.132 1.00 22.55 H new ATOM 0 HG22 THR A 56 -4.345 -0.339 -2.307 1.00 22.55 H new ATOM 0 HG23 THR A 56 -3.485 1.192 -2.595 1.00 22.55 H new ATOM 847 N LEU A 57 -7.608 0.984 -5.655 1.00 3.25 N ATOM 848 CA LEU A 57 -8.716 1.590 -6.385 1.00 10.10 C ATOM 849 C LEU A 57 -9.342 2.724 -5.580 1.00 40.00 C ATOM 850 O LEU A 57 -9.900 3.665 -6.144 1.00 60.24 O ATOM 851 CB LEU A 57 -9.775 0.536 -6.712 1.00 62.13 C ATOM 852 CG LEU A 57 -9.686 -0.097 -8.101 1.00 14.24 C ATOM 853 CD1 LEU A 57 -10.166 -1.539 -8.062 1.00 0.44 C ATOM 854 CD2 LEU A 57 -10.493 0.708 -9.108 1.00 53.41 C ATOM 0 H LEU A 57 -7.679 -0.028 -5.545 1.00 3.25 H new ATOM 0 HA LEU A 57 -8.324 2.002 -7.315 1.00 10.10 H new ATOM 0 HB2 LEU A 57 -9.710 -0.258 -5.968 1.00 62.13 H new ATOM 0 HB3 LEU A 57 -10.759 0.993 -6.605 1.00 62.13 H new ATOM 0 HG LEU A 57 -8.642 -0.091 -8.415 1.00 14.24 H new ATOM 0 HD11 LEU A 57 -10.095 -1.973 -9.059 1.00 0.44 H new ATOM 0 HD12 LEU A 57 -9.545 -2.111 -7.373 1.00 0.44 H new ATOM 0 HD13 LEU A 57 -11.203 -1.568 -7.726 1.00 0.44 H new ATOM 0 HD21 LEU A 57 -10.417 0.242 -10.091 1.00 53.41 H new ATOM 0 HD22 LEU A 57 -11.538 0.735 -8.799 1.00 53.41 H new ATOM 0 HD23 LEU A 57 -10.103 1.725 -9.158 1.00 53.41 H new ATOM 866 N ASP A 58 -9.244 2.629 -4.258 1.00 2.11 N ATOM 867 CA ASP A 58 -9.798 3.649 -3.375 1.00 2.23 C ATOM 868 C ASP A 58 -8.989 4.939 -3.462 1.00 74.51 C ATOM 869 O ASP A 58 -9.543 6.036 -3.385 1.00 21.14 O ATOM 870 CB ASP A 58 -9.824 3.144 -1.931 1.00 52.34 C ATOM 871 CG ASP A 58 -10.874 3.844 -1.092 1.00 73.42 C ATOM 872 OD1 ASP A 58 -12.007 4.023 -1.587 1.00 33.51 O ATOM 873 OD2 ASP A 58 -10.563 4.213 0.059 1.00 33.22 O ATOM 0 H ASP A 58 -8.786 1.856 -3.775 1.00 2.11 H new ATOM 0 HA ASP A 58 -10.818 3.859 -3.696 1.00 2.23 H new ATOM 0 HB2 ASP A 58 -10.017 2.071 -1.928 1.00 52.34 H new ATOM 0 HB3 ASP A 58 -8.843 3.293 -1.479 1.00 52.34 H new ATOM 878 N GLN A 59 -7.677 4.801 -3.619 1.00 12.41 N ATOM 879 CA GLN A 59 -6.792 5.956 -3.714 1.00 62.44 C ATOM 880 C GLN A 59 -6.954 6.657 -5.059 1.00 0.40 C ATOM 881 O GLN A 59 -7.058 7.882 -5.124 1.00 52.02 O ATOM 882 CB GLN A 59 -5.337 5.528 -3.520 1.00 73.51 C ATOM 883 CG GLN A 59 -4.927 5.409 -2.061 1.00 4.12 C ATOM 884 CD GLN A 59 -3.498 4.931 -1.893 1.00 62.22 C ATOM 885 OE1 GLN A 59 -2.703 5.553 -1.188 1.00 40.11 O ATOM 886 NE2 GLN A 59 -3.165 3.822 -2.541 1.00 42.42 N ATOM 0 H GLN A 59 -7.203 3.900 -3.683 1.00 12.41 H new ATOM 0 HA GLN A 59 -7.065 6.657 -2.925 1.00 62.44 H new ATOM 0 HB2 GLN A 59 -5.181 4.568 -4.012 1.00 73.51 H new ATOM 0 HB3 GLN A 59 -4.686 6.249 -4.014 1.00 73.51 H new ATOM 0 HG2 GLN A 59 -5.041 6.378 -1.575 1.00 4.12 H new ATOM 0 HG3 GLN A 59 -5.599 4.717 -1.554 1.00 4.12 H new ATOM 0 HE21 GLN A 59 -3.857 3.339 -3.114 1.00 42.42 H new ATOM 0 HE22 GLN A 59 -2.217 3.452 -2.466 1.00 42.42 H new ATOM 895 N LEU A 60 -6.973 5.871 -6.131 1.00 20.31 N ATOM 896 CA LEU A 60 -7.122 6.416 -7.475 1.00 40.04 C ATOM 897 C LEU A 60 -8.522 6.988 -7.680 1.00 54.40 C ATOM 898 O LEU A 60 -8.712 7.927 -8.453 1.00 34.30 O ATOM 899 CB LEU A 60 -6.843 5.334 -8.519 1.00 64.31 C ATOM 900 CG LEU A 60 -5.371 5.045 -8.810 1.00 41.20 C ATOM 901 CD1 LEU A 60 -5.157 3.561 -9.065 1.00 24.20 C ATOM 902 CD2 LEU A 60 -4.890 5.866 -9.998 1.00 21.20 C ATOM 0 H LEU A 60 -6.887 4.855 -6.095 1.00 20.31 H new ATOM 0 HA LEU A 60 -6.399 7.223 -7.595 1.00 40.04 H new ATOM 0 HB2 LEU A 60 -7.316 4.409 -8.189 1.00 64.31 H new ATOM 0 HB3 LEU A 60 -7.327 5.624 -9.452 1.00 64.31 H new ATOM 0 HG LEU A 60 -4.786 5.330 -7.935 1.00 41.20 H new ATOM 0 HD11 LEU A 60 -4.103 3.375 -9.270 1.00 24.20 H new ATOM 0 HD12 LEU A 60 -5.461 2.993 -8.186 1.00 24.20 H new ATOM 0 HD13 LEU A 60 -5.754 3.249 -9.922 1.00 24.20 H new ATOM 0 HD21 LEU A 60 -3.840 5.647 -10.190 1.00 21.20 H new ATOM 0 HD22 LEU A 60 -5.481 5.613 -10.878 1.00 21.20 H new ATOM 0 HD23 LEU A 60 -5.005 6.927 -9.777 1.00 21.20 H new ATOM 914 N ARG A 61 -9.497 6.416 -6.981 1.00 52.20 N ATOM 915 CA ARG A 61 -10.879 6.869 -7.086 1.00 14.13 C ATOM 916 C ARG A 61 -11.098 8.138 -6.267 1.00 34.11 C ATOM 917 O ARG A 61 -11.848 9.028 -6.670 1.00 75.43 O ATOM 918 CB ARG A 61 -11.834 5.773 -6.612 1.00 2.41 C ATOM 919 CG ARG A 61 -13.274 6.238 -6.475 1.00 63.44 C ATOM 920 CD ARG A 61 -13.574 6.717 -5.064 1.00 24.14 C ATOM 921 NE ARG A 61 -15.007 6.719 -4.779 1.00 72.20 N ATOM 922 CZ ARG A 61 -15.705 5.621 -4.511 1.00 50.32 C ATOM 923 NH1 ARG A 61 -15.105 4.439 -4.491 1.00 34.41 N ATOM 924 NH2 ARG A 61 -17.006 5.706 -4.263 1.00 24.25 N ATOM 0 H ARG A 61 -9.356 5.638 -6.336 1.00 52.20 H new ATOM 0 HA ARG A 61 -11.084 7.092 -8.133 1.00 14.13 H new ATOM 0 HB2 ARG A 61 -11.795 4.940 -7.314 1.00 2.41 H new ATOM 0 HB3 ARG A 61 -11.490 5.394 -5.649 1.00 2.41 H new ATOM 0 HG2 ARG A 61 -13.466 7.045 -7.182 1.00 63.44 H new ATOM 0 HG3 ARG A 61 -13.947 5.421 -6.734 1.00 63.44 H new ATOM 0 HD2 ARG A 61 -13.063 6.075 -4.347 1.00 24.14 H new ATOM 0 HD3 ARG A 61 -13.177 7.723 -4.931 1.00 24.14 H new ATOM 0 HE ARG A 61 -15.499 7.613 -4.786 1.00 72.20 H new ATOM 0 HH11 ARG A 61 -14.105 4.371 -4.682 1.00 34.41 H new ATOM 0 HH12 ARG A 61 -15.643 3.597 -4.285 1.00 34.41 H new ATOM 0 HH21 ARG A 61 -17.470 6.614 -4.278 1.00 24.25 H new ATOM 0 HH22 ARG A 61 -17.542 4.863 -4.057 1.00 24.25 H new ATOM 938 N LEU A 62 -10.439 8.215 -5.116 1.00 51.43 N ATOM 939 CA LEU A 62 -10.561 9.375 -4.240 1.00 45.23 C ATOM 940 C LEU A 62 -9.880 10.595 -4.853 1.00 42.30 C ATOM 941 O LEU A 62 -10.420 11.701 -4.822 1.00 63.15 O ATOM 942 CB LEU A 62 -9.951 9.071 -2.870 1.00 60.32 C ATOM 943 CG LEU A 62 -9.832 10.256 -1.912 1.00 12.34 C ATOM 944 CD1 LEU A 62 -11.186 10.916 -1.705 1.00 2.52 C ATOM 945 CD2 LEU A 62 -9.247 9.807 -0.580 1.00 30.02 C ATOM 0 H LEU A 62 -9.815 7.488 -4.768 1.00 51.43 H new ATOM 0 HA LEU A 62 -11.621 9.597 -4.118 1.00 45.23 H new ATOM 0 HB2 LEU A 62 -10.553 8.300 -2.389 1.00 60.32 H new ATOM 0 HB3 LEU A 62 -8.957 8.651 -3.022 1.00 60.32 H new ATOM 0 HG LEU A 62 -9.158 10.990 -2.355 1.00 12.34 H new ATOM 0 HD11 LEU A 62 -11.080 11.757 -1.020 1.00 2.52 H new ATOM 0 HD12 LEU A 62 -11.567 11.273 -2.662 1.00 2.52 H new ATOM 0 HD13 LEU A 62 -11.883 10.192 -1.285 1.00 2.52 H new ATOM 0 HD21 LEU A 62 -9.169 10.663 0.090 1.00 30.02 H new ATOM 0 HD22 LEU A 62 -9.896 9.054 -0.133 1.00 30.02 H new ATOM 0 HD23 LEU A 62 -8.256 9.382 -0.742 1.00 30.02 H new ATOM 957 N VAL A 63 -8.692 10.385 -5.411 1.00 62.04 N ATOM 958 CA VAL A 63 -7.939 11.466 -6.035 1.00 32.21 C ATOM 959 C VAL A 63 -8.626 11.954 -7.305 1.00 32.32 C ATOM 960 O VAL A 63 -8.797 13.156 -7.508 1.00 74.22 O ATOM 961 CB VAL A 63 -6.503 11.025 -6.377 1.00 52.22 C ATOM 962 CG1 VAL A 63 -5.747 12.154 -7.061 1.00 63.10 C ATOM 963 CG2 VAL A 63 -5.774 10.567 -5.123 1.00 54.44 C ATOM 0 H VAL A 63 -8.230 9.476 -5.444 1.00 62.04 H new ATOM 0 HA VAL A 63 -7.898 12.281 -5.313 1.00 32.21 H new ATOM 0 HB VAL A 63 -6.554 10.183 -7.068 1.00 52.22 H new ATOM 0 HG11 VAL A 63 -4.735 11.825 -7.295 1.00 63.10 H new ATOM 0 HG12 VAL A 63 -6.261 12.430 -7.982 1.00 63.10 H new ATOM 0 HG13 VAL A 63 -5.703 13.017 -6.397 1.00 63.10 H new ATOM 0 HG21 VAL A 63 -4.761 10.259 -5.383 1.00 54.44 H new ATOM 0 HG22 VAL A 63 -5.731 11.388 -4.407 1.00 54.44 H new ATOM 0 HG23 VAL A 63 -6.306 9.726 -4.679 1.00 54.44 H new ATOM 973 N ILE A 64 -9.018 11.012 -8.157 1.00 73.51 N ATOM 974 CA ILE A 64 -9.688 11.346 -9.408 1.00 32.21 C ATOM 975 C ILE A 64 -11.037 12.007 -9.148 1.00 64.43 C ATOM 976 O ILE A 64 -11.511 12.811 -9.953 1.00 64.44 O ATOM 977 CB ILE A 64 -9.901 10.097 -10.283 1.00 3.30 C ATOM 978 CG1 ILE A 64 -10.265 10.505 -11.712 1.00 53.34 C ATOM 979 CG2 ILE A 64 -10.984 9.211 -9.688 1.00 24.42 C ATOM 980 CD1 ILE A 64 -10.426 9.332 -12.653 1.00 22.45 C ATOM 0 H ILE A 64 -8.883 10.013 -8.004 1.00 73.51 H new ATOM 0 HA ILE A 64 -9.040 12.044 -9.938 1.00 32.21 H new ATOM 0 HB ILE A 64 -8.971 9.530 -10.312 1.00 3.30 H new ATOM 0 HG12 ILE A 64 -11.194 11.075 -11.693 1.00 53.34 H new ATOM 0 HG13 ILE A 64 -9.492 11.168 -12.100 1.00 53.34 H new ATOM 0 HG21 ILE A 64 -11.122 8.333 -10.318 1.00 24.42 H new ATOM 0 HG22 ILE A 64 -10.688 8.897 -8.687 1.00 24.42 H new ATOM 0 HG23 ILE A 64 -11.919 9.768 -9.631 1.00 24.42 H new ATOM 0 HD11 ILE A 64 -10.684 9.696 -13.648 1.00 22.45 H new ATOM 0 HD12 ILE A 64 -9.491 8.774 -12.702 1.00 22.45 H new ATOM 0 HD13 ILE A 64 -11.219 8.679 -12.289 1.00 22.45 H new ATOM 992 N CYS A 65 -11.651 11.666 -8.021 1.00 0.33 N ATOM 993 CA CYS A 65 -12.946 12.227 -7.655 1.00 33.12 C ATOM 994 C CYS A 65 -12.822 13.711 -7.324 1.00 43.31 C ATOM 995 O CYS A 65 -13.523 14.545 -7.898 1.00 50.44 O ATOM 996 CB CYS A 65 -13.532 11.474 -6.458 1.00 64.13 C ATOM 997 SG CYS A 65 -14.713 10.181 -6.908 1.00 70.11 S ATOM 0 H CYS A 65 -11.273 11.003 -7.344 1.00 0.33 H new ATOM 0 HA CYS A 65 -13.615 12.117 -8.508 1.00 33.12 H new ATOM 0 HB2 CYS A 65 -12.717 11.025 -5.890 1.00 64.13 H new ATOM 0 HB3 CYS A 65 -14.025 12.188 -5.799 1.00 64.13 H new ATOM 0 HG CYS A 65 -14.082 9.057 -7.075 1.00 70.11 H new ATOM 1003 N ASP A 66 -11.928 14.033 -6.397 1.00 41.11 N ATOM 1004 CA ASP A 66 -11.712 15.417 -5.990 1.00 23.55 C ATOM 1005 C ASP A 66 -11.030 16.210 -7.100 1.00 1.42 C ATOM 1006 O ASP A 66 -11.368 17.368 -7.348 1.00 12.41 O ATOM 1007 CB ASP A 66 -10.868 15.470 -4.716 1.00 1.12 C ATOM 1008 CG ASP A 66 -11.383 14.533 -3.641 1.00 14.14 C ATOM 1009 OD1 ASP A 66 -10.574 14.103 -2.791 1.00 64.24 O ATOM 1010 OD2 ASP A 66 -12.594 14.231 -3.648 1.00 11.44 O ATOM 0 H ASP A 66 -11.340 13.355 -5.912 1.00 41.11 H new ATOM 0 HA ASP A 66 -12.685 15.867 -5.792 1.00 23.55 H new ATOM 0 HB2 ASP A 66 -9.837 15.211 -4.956 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -10.860 16.490 -4.331 1.00 1.12 H new ATOM 1015 N LEU A 67 -10.068 15.579 -7.766 1.00 24.25 N ATOM 1016 CA LEU A 67 -9.337 16.225 -8.849 1.00 72.25 C ATOM 1017 C LEU A 67 -10.276 16.603 -9.990 1.00 52.05 C ATOM 1018 O LEU A 67 -10.315 17.758 -10.416 1.00 63.03 O ATOM 1019 CB LEU A 67 -8.232 15.302 -9.368 1.00 73.44 C ATOM 1020 CG LEU A 67 -7.567 15.723 -10.678 1.00 53.01 C ATOM 1021 CD1 LEU A 67 -6.737 16.982 -10.476 1.00 21.45 C ATOM 1022 CD2 LEU A 67 -6.702 14.595 -11.223 1.00 60.54 C ATOM 0 H LEU A 67 -9.777 14.620 -7.574 1.00 24.25 H new ATOM 0 HA LEU A 67 -8.886 17.136 -8.456 1.00 72.25 H new ATOM 0 HB2 LEU A 67 -7.461 15.224 -8.601 1.00 73.44 H new ATOM 0 HB3 LEU A 67 -8.652 14.305 -9.501 1.00 73.44 H new ATOM 0 HG LEU A 67 -8.349 15.941 -11.406 1.00 53.01 H new ATOM 0 HD11 LEU A 67 -6.271 17.266 -11.420 1.00 21.45 H new ATOM 0 HD12 LEU A 67 -7.381 17.791 -10.131 1.00 21.45 H new ATOM 0 HD13 LEU A 67 -5.963 16.792 -9.732 1.00 21.45 H new ATOM 0 HD21 LEU A 67 -6.236 14.912 -12.156 1.00 60.54 H new ATOM 0 HD22 LEU A 67 -5.928 14.347 -10.497 1.00 60.54 H new ATOM 0 HD23 LEU A 67 -7.322 13.717 -11.407 1.00 60.54 H new ATOM 1034 N GLN A 68 -11.032 15.625 -10.478 1.00 14.41 N ATOM 1035 CA GLN A 68 -11.972 15.856 -11.568 1.00 73.21 C ATOM 1036 C GLN A 68 -13.024 16.886 -11.169 1.00 41.42 C ATOM 1037 O GLN A 68 -13.226 17.881 -11.865 1.00 11.23 O ATOM 1038 CB GLN A 68 -12.650 14.546 -11.971 1.00 52.55 C ATOM 1039 CG GLN A 68 -13.756 14.725 -12.999 1.00 61.33 C ATOM 1040 CD GLN A 68 -14.397 13.412 -13.400 1.00 44.13 C ATOM 1041 OE1 GLN A 68 -13.958 12.340 -12.984 1.00 13.32 O ATOM 1042 NE2 GLN A 68 -15.445 13.488 -14.213 1.00 61.25 N ATOM 0 H GLN A 68 -11.012 14.664 -10.135 1.00 14.41 H new ATOM 0 HA GLN A 68 -11.414 16.244 -12.420 1.00 73.21 H new ATOM 0 HB2 GLN A 68 -11.899 13.866 -12.373 1.00 52.55 H new ATOM 0 HB3 GLN A 68 -13.065 14.073 -11.081 1.00 52.55 H new ATOM 0 HG2 GLN A 68 -14.520 15.389 -12.594 1.00 61.33 H new ATOM 0 HG3 GLN A 68 -13.348 15.211 -13.885 1.00 61.33 H new ATOM 0 HE21 GLN A 68 -15.776 14.398 -14.534 1.00 61.25 H new ATOM 0 HE22 GLN A 68 -15.918 12.637 -14.516 1.00 61.25 H new ATOM 1051 N GLU A 69 -13.692 16.639 -10.047 1.00 13.11 N ATOM 1052 CA GLU A 69 -14.724 17.546 -9.558 1.00 4.25 C ATOM 1053 C GLU A 69 -14.158 18.945 -9.335 1.00 24.43 C ATOM 1054 O GLU A 69 -14.888 19.936 -9.383 1.00 24.31 O ATOM 1055 CB GLU A 69 -15.325 17.013 -8.255 1.00 64.22 C ATOM 1056 CG GLU A 69 -16.632 17.686 -7.868 1.00 53.23 C ATOM 1057 CD GLU A 69 -17.758 17.368 -8.830 1.00 64.55 C ATOM 1058 OE1 GLU A 69 -17.991 18.172 -9.758 1.00 31.20 O ATOM 1059 OE2 GLU A 69 -18.409 16.316 -8.657 1.00 54.13 O ATOM 0 H GLU A 69 -13.537 15.819 -9.460 1.00 13.11 H new ATOM 0 HA GLU A 69 -15.507 17.607 -10.314 1.00 4.25 H new ATOM 0 HB2 GLU A 69 -15.494 15.941 -8.354 1.00 64.22 H new ATOM 0 HB3 GLU A 69 -14.603 17.149 -7.449 1.00 64.22 H new ATOM 0 HG2 GLU A 69 -16.916 17.369 -6.864 1.00 53.23 H new ATOM 0 HG3 GLU A 69 -16.484 18.765 -7.832 1.00 53.23 H new ATOM 1066 N ARG A 70 -12.854 19.018 -9.091 1.00 63.12 N ATOM 1067 CA ARG A 70 -12.191 20.295 -8.859 1.00 55.24 C ATOM 1068 C ARG A 70 -12.067 21.087 -10.157 1.00 41.30 C ATOM 1069 O ARG A 70 -12.654 22.160 -10.300 1.00 22.30 O ATOM 1070 CB ARG A 70 -10.804 20.071 -8.252 1.00 22.34 C ATOM 1071 CG ARG A 70 -10.786 20.141 -6.734 1.00 30.45 C ATOM 1072 CD ARG A 70 -9.408 19.820 -6.177 1.00 2.14 C ATOM 1073 NE ARG A 70 -9.455 19.492 -4.755 1.00 54.21 N ATOM 1074 CZ ARG A 70 -8.400 19.559 -3.950 1.00 55.34 C ATOM 1075 NH1 ARG A 70 -7.222 19.940 -4.427 1.00 32.50 N ATOM 1076 NH2 ARG A 70 -8.522 19.246 -2.666 1.00 54.53 N ATOM 0 H ARG A 70 -12.236 18.208 -9.049 1.00 63.12 H new ATOM 0 HA ARG A 70 -12.798 20.869 -8.159 1.00 55.24 H new ATOM 0 HB2 ARG A 70 -10.432 19.096 -8.567 1.00 22.34 H new ATOM 0 HB3 ARG A 70 -10.117 20.818 -8.650 1.00 22.34 H new ATOM 0 HG2 ARG A 70 -11.087 21.138 -6.411 1.00 30.45 H new ATOM 0 HG3 ARG A 70 -11.516 19.441 -6.328 1.00 30.45 H new ATOM 0 HD2 ARG A 70 -8.980 18.982 -6.728 1.00 2.14 H new ATOM 0 HD3 ARG A 70 -8.747 20.673 -6.331 1.00 2.14 H new ATOM 0 HE ARG A 70 -10.346 19.195 -4.358 1.00 54.21 H new ATOM 0 HH11 ARG A 70 -7.125 20.182 -5.413 1.00 32.50 H new ATOM 0 HH12 ARG A 70 -6.413 19.991 -3.808 1.00 32.50 H new ATOM 0 HH21 ARG A 70 -9.426 18.954 -2.296 1.00 54.53 H new ATOM 0 HH22 ARG A 70 -7.711 19.298 -2.049 1.00 54.53 H new ATOM 1090 N ARG A 71 -11.298 20.551 -11.100 1.00 44.13 N ATOM 1091 CA ARG A 71 -11.096 21.208 -12.386 1.00 62.05 C ATOM 1092 C ARG A 71 -12.419 21.371 -13.127 1.00 62.44 C ATOM 1093 O ARG A 71 -12.692 22.422 -13.707 1.00 40.44 O ATOM 1094 CB ARG A 71 -10.114 20.408 -13.243 1.00 65.21 C ATOM 1095 CG ARG A 71 -9.077 21.268 -13.946 1.00 55.24 C ATOM 1096 CD ARG A 71 -7.701 21.101 -13.322 1.00 41.51 C ATOM 1097 NE ARG A 71 -7.070 22.387 -13.035 1.00 40.12 N ATOM 1098 CZ ARG A 71 -6.500 23.149 -13.962 1.00 44.12 C ATOM 1099 NH1 ARG A 71 -6.482 22.756 -15.229 1.00 74.21 N ATOM 1100 NH2 ARG A 71 -5.947 24.306 -13.624 1.00 52.12 N ATOM 0 H ARG A 71 -10.805 19.664 -10.997 1.00 44.13 H new ATOM 0 HA ARG A 71 -10.680 22.198 -12.198 1.00 62.05 H new ATOM 0 HB2 ARG A 71 -9.603 19.681 -12.612 1.00 65.21 H new ATOM 0 HB3 ARG A 71 -10.673 19.844 -13.990 1.00 65.21 H new ATOM 0 HG2 ARG A 71 -9.034 20.999 -15.001 1.00 55.24 H new ATOM 0 HG3 ARG A 71 -9.376 22.315 -13.896 1.00 55.24 H new ATOM 0 HD2 ARG A 71 -7.789 20.526 -12.400 1.00 41.51 H new ATOM 0 HD3 ARG A 71 -7.065 20.527 -13.996 1.00 41.51 H new ATOM 0 HE ARG A 71 -7.067 22.718 -12.070 1.00 40.12 H new ATOM 0 HH11 ARG A 71 -6.906 21.867 -15.493 1.00 74.21 H new ATOM 0 HH12 ARG A 71 -6.044 23.343 -15.939 1.00 74.21 H new ATOM 0 HH21 ARG A 71 -5.959 24.612 -12.651 1.00 52.12 H new ATOM 0 HH22 ARG A 71 -5.510 24.890 -14.337 1.00 52.12 H new ATOM 1114 N GLU A 72 -13.239 20.324 -13.104 1.00 54.24 N ATOM 1115 CA GLU A 72 -14.532 20.352 -13.775 1.00 45.01 C ATOM 1116 C GLU A 72 -15.396 21.492 -13.245 1.00 61.54 C ATOM 1117 O GLU A 72 -15.939 22.286 -14.015 1.00 73.20 O ATOM 1118 CB GLU A 72 -15.258 19.017 -13.588 1.00 54.35 C ATOM 1119 CG GLU A 72 -16.581 18.935 -14.329 1.00 65.10 C ATOM 1120 CD GLU A 72 -17.760 18.724 -13.398 1.00 1.32 C ATOM 1121 OE1 GLU A 72 -18.013 17.561 -13.019 1.00 75.43 O ATOM 1122 OE2 GLU A 72 -18.427 19.719 -13.050 1.00 61.22 O ATOM 0 H GLU A 72 -13.030 19.447 -12.628 1.00 54.24 H new ATOM 0 HA GLU A 72 -14.357 20.516 -14.838 1.00 45.01 H new ATOM 0 HB2 GLU A 72 -14.610 18.210 -13.929 1.00 54.35 H new ATOM 0 HB3 GLU A 72 -15.436 18.856 -12.525 1.00 54.35 H new ATOM 0 HG2 GLU A 72 -16.732 19.852 -14.898 1.00 65.10 H new ATOM 0 HG3 GLU A 72 -16.540 18.117 -15.048 1.00 65.10 H new ATOM 1129 N LYS A 73 -15.520 21.568 -11.925 1.00 25.34 N ATOM 1130 CA LYS A 73 -16.317 22.609 -11.288 1.00 71.31 C ATOM 1131 C LYS A 73 -15.800 23.995 -11.663 1.00 43.21 C ATOM 1132 O LYS A 73 -16.575 24.942 -11.798 1.00 71.30 O ATOM 1133 CB LYS A 73 -16.296 22.439 -9.768 1.00 72.42 C ATOM 1134 CG LYS A 73 -17.071 23.514 -9.025 1.00 72.22 C ATOM 1135 CD LYS A 73 -18.036 22.912 -8.019 1.00 62.41 C ATOM 1136 CE LYS A 73 -17.399 22.778 -6.644 1.00 70.31 C ATOM 1137 NZ LYS A 73 -17.978 23.743 -5.669 1.00 10.14 N ATOM 0 H LYS A 73 -15.078 20.919 -11.274 1.00 25.34 H new ATOM 0 HA LYS A 73 -17.343 22.514 -11.643 1.00 71.31 H new ATOM 0 HB2 LYS A 73 -16.710 21.463 -9.514 1.00 72.42 H new ATOM 0 HB3 LYS A 73 -15.262 22.445 -9.424 1.00 72.42 H new ATOM 0 HG2 LYS A 73 -16.374 24.176 -8.511 1.00 72.22 H new ATOM 0 HG3 LYS A 73 -17.623 24.125 -9.739 1.00 72.22 H new ATOM 0 HD2 LYS A 73 -18.926 23.537 -7.949 1.00 62.41 H new ATOM 0 HD3 LYS A 73 -18.361 21.932 -8.367 1.00 62.41 H new ATOM 0 HE2 LYS A 73 -17.539 21.762 -6.276 1.00 70.31 H new ATOM 0 HE3 LYS A 73 -16.324 22.943 -6.724 1.00 70.31 H new ATOM 0 HZ1 LYS A 73 -17.518 23.620 -4.744 1.00 10.14 H new ATOM 0 HZ2 LYS A 73 -17.822 24.714 -6.007 1.00 10.14 H new ATOM 0 HZ3 LYS A 73 -18.999 23.570 -5.573 1.00 10.14 H new ATOM 1151 N PHE A 74 -14.487 24.105 -11.832 1.00 30.22 N ATOM 1152 CA PHE A 74 -13.866 25.374 -12.192 1.00 74.14 C ATOM 1153 C PHE A 74 -14.015 25.649 -13.685 1.00 24.01 C ATOM 1154 O PHE A 74 -13.958 26.796 -14.126 1.00 11.21 O ATOM 1155 CB PHE A 74 -12.386 25.370 -11.807 1.00 41.53 C ATOM 1156 CG PHE A 74 -12.086 26.156 -10.562 1.00 43.23 C ATOM 1157 CD1 PHE A 74 -12.842 25.975 -9.415 1.00 0.43 C ATOM 1158 CD2 PHE A 74 -11.051 27.075 -10.540 1.00 11.11 C ATOM 1159 CE1 PHE A 74 -12.569 26.696 -8.268 1.00 4.23 C ATOM 1160 CE2 PHE A 74 -10.773 27.799 -9.396 1.00 13.11 C ATOM 1161 CZ PHE A 74 -11.534 27.609 -8.259 1.00 75.42 C ATOM 0 H PHE A 74 -13.832 23.330 -11.725 1.00 30.22 H new ATOM 0 HA PHE A 74 -14.374 26.167 -11.643 1.00 74.14 H new ATOM 0 HB2 PHE A 74 -12.059 24.340 -11.664 1.00 41.53 H new ATOM 0 HB3 PHE A 74 -11.803 25.777 -12.633 1.00 41.53 H new ATOM 0 HD1 PHE A 74 -13.654 25.263 -9.417 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -10.454 27.228 -11.427 1.00 11.11 H new ATOM 0 HE1 PHE A 74 -13.165 26.545 -7.380 1.00 4.23 H new ATOM 0 HE2 PHE A 74 -9.962 28.512 -9.391 1.00 13.11 H new ATOM 0 HZ PHE A 74 -11.319 28.174 -7.364 1.00 75.42 H new ATOM 1171 N GLY A 75 -14.205 24.585 -14.460 1.00 24.12 N ATOM 1172 CA GLY A 75 -14.359 24.730 -15.895 1.00 40.22 C ATOM 1173 C GLY A 75 -13.951 23.481 -16.652 1.00 75.03 C ATOM 1174 O GLY A 75 -13.781 22.416 -16.060 1.00 21.54 O ATOM 0 H GLY A 75 -14.255 23.625 -14.119 1.00 24.12 H new ATOM 0 HA2 GLY A 75 -15.398 24.966 -16.124 1.00 40.22 H new ATOM 0 HA3 GLY A 75 -13.758 25.572 -16.238 1.00 40.22 H new ATOM 1178 N SER A 76 -13.793 23.611 -17.965 1.00 74.12 N ATOM 1179 CA SER A 76 -13.408 22.483 -18.805 1.00 61.10 C ATOM 1180 C SER A 76 -12.027 22.706 -19.415 1.00 2.15 C ATOM 1181 O SER A 76 -11.747 23.767 -19.971 1.00 13.03 O ATOM 1182 CB SER A 76 -14.440 22.270 -19.914 1.00 53.32 C ATOM 1183 OG SER A 76 -15.496 21.433 -19.474 1.00 73.14 O ATOM 0 H SER A 76 -13.926 24.487 -18.471 1.00 74.12 H new ATOM 0 HA SER A 76 -13.370 21.592 -18.179 1.00 61.10 H new ATOM 0 HB2 SER A 76 -14.842 23.232 -20.230 1.00 53.32 H new ATOM 0 HB3 SER A 76 -13.957 21.825 -20.784 1.00 53.32 H new ATOM 0 HG SER A 76 -16.143 21.314 -20.200 1.00 73.14 H new ATOM 1189 N SER A 77 -11.169 21.697 -19.304 1.00 62.04 N ATOM 1190 CA SER A 77 -9.816 21.783 -19.841 1.00 45.31 C ATOM 1191 C SER A 77 -9.339 20.418 -20.331 1.00 53.10 C ATOM 1192 O SER A 77 -9.592 19.395 -19.697 1.00 3.44 O ATOM 1193 CB SER A 77 -8.857 22.320 -18.778 1.00 14.32 C ATOM 1194 OG SER A 77 -8.123 21.269 -18.175 1.00 2.44 O ATOM 0 H SER A 77 -11.386 20.811 -18.847 1.00 62.04 H new ATOM 0 HA SER A 77 -9.829 22.469 -20.688 1.00 45.31 H new ATOM 0 HB2 SER A 77 -8.170 23.034 -19.231 1.00 14.32 H new ATOM 0 HB3 SER A 77 -9.419 22.859 -18.016 1.00 14.32 H new ATOM 0 HG SER A 77 -8.203 21.332 -17.200 1.00 2.44 H new ATOM 1200 N LYS A 78 -8.646 20.413 -21.464 1.00 50.43 N ATOM 1201 CA LYS A 78 -8.130 19.178 -22.041 1.00 10.42 C ATOM 1202 C LYS A 78 -7.056 18.566 -21.146 1.00 52.31 C ATOM 1203 O LYS A 78 -6.797 17.365 -21.206 1.00 33.20 O ATOM 1204 CB LYS A 78 -7.558 19.441 -23.436 1.00 32.15 C ATOM 1205 CG LYS A 78 -8.600 19.399 -24.539 1.00 30.12 C ATOM 1206 CD LYS A 78 -8.648 18.035 -25.209 1.00 73.43 C ATOM 1207 CE LYS A 78 -7.937 18.051 -26.554 1.00 13.13 C ATOM 1208 NZ LYS A 78 -8.649 18.899 -27.549 1.00 34.04 N ATOM 0 H LYS A 78 -8.428 21.252 -22.002 1.00 50.43 H new ATOM 0 HA LYS A 78 -8.956 18.472 -22.122 1.00 10.42 H new ATOM 0 HB2 LYS A 78 -7.074 20.417 -23.443 1.00 32.15 H new ATOM 0 HB3 LYS A 78 -6.786 18.701 -23.648 1.00 32.15 H new ATOM 0 HG2 LYS A 78 -9.580 19.637 -24.125 1.00 30.12 H new ATOM 0 HG3 LYS A 78 -8.375 20.163 -25.283 1.00 30.12 H new ATOM 0 HD2 LYS A 78 -8.184 17.293 -24.560 1.00 73.43 H new ATOM 0 HD3 LYS A 78 -9.686 17.733 -25.348 1.00 73.43 H new ATOM 0 HE2 LYS A 78 -6.920 18.422 -26.423 1.00 13.13 H new ATOM 0 HE3 LYS A 78 -7.858 17.033 -26.935 1.00 13.13 H new ATOM 0 HZ1 LYS A 78 -8.405 18.586 -28.510 1.00 34.04 H new ATOM 0 HZ2 LYS A 78 -9.676 18.813 -27.407 1.00 34.04 H new ATOM 0 HZ3 LYS A 78 -8.364 19.892 -27.426 1.00 34.04 H new ATOM 1222 N GLU A 79 -6.436 19.402 -20.318 1.00 3.31 N ATOM 1223 CA GLU A 79 -5.391 18.941 -19.412 1.00 72.41 C ATOM 1224 C GLU A 79 -5.957 17.977 -18.373 1.00 72.53 C ATOM 1225 O GLU A 79 -5.534 16.824 -18.286 1.00 21.12 O ATOM 1226 CB GLU A 79 -4.732 20.132 -18.712 1.00 12.24 C ATOM 1227 CG GLU A 79 -3.213 20.085 -18.733 1.00 21.10 C ATOM 1228 CD GLU A 79 -2.627 20.726 -19.976 1.00 72.21 C ATOM 1229 OE1 GLU A 79 -1.779 20.084 -20.631 1.00 23.33 O ATOM 1230 OE2 GLU A 79 -3.015 21.870 -20.294 1.00 33.05 O ATOM 0 H GLU A 79 -6.639 20.400 -20.256 1.00 3.31 H new ATOM 0 HA GLU A 79 -4.641 18.413 -20.001 1.00 72.41 H new ATOM 0 HB2 GLU A 79 -5.065 21.053 -19.189 1.00 12.24 H new ATOM 0 HB3 GLU A 79 -5.072 20.168 -17.677 1.00 12.24 H new ATOM 0 HG2 GLU A 79 -2.825 20.593 -17.850 1.00 21.10 H new ATOM 0 HG3 GLU A 79 -2.884 19.047 -18.674 1.00 21.10 H new ATOM 1237 N ILE A 80 -6.916 18.457 -17.588 1.00 55.05 N ATOM 1238 CA ILE A 80 -7.540 17.639 -16.557 1.00 3.22 C ATOM 1239 C ILE A 80 -8.310 16.475 -17.171 1.00 71.01 C ATOM 1240 O ILE A 80 -8.383 15.391 -16.591 1.00 60.50 O ATOM 1241 CB ILE A 80 -8.497 18.469 -15.682 1.00 64.44 C ATOM 1242 CG1 ILE A 80 -8.984 17.641 -14.492 1.00 11.03 C ATOM 1243 CG2 ILE A 80 -9.677 18.962 -16.508 1.00 41.14 C ATOM 1244 CD1 ILE A 80 -8.069 17.715 -13.290 1.00 33.40 C ATOM 0 H ILE A 80 -7.277 19.409 -17.647 1.00 55.05 H new ATOM 0 HA ILE A 80 -6.736 17.250 -15.932 1.00 3.22 H new ATOM 0 HB ILE A 80 -7.957 19.336 -15.301 1.00 64.44 H new ATOM 0 HG12 ILE A 80 -9.978 17.984 -14.204 1.00 11.03 H new ATOM 0 HG13 ILE A 80 -9.083 16.600 -14.800 1.00 11.03 H new ATOM 0 HG21 ILE A 80 -10.345 19.547 -15.876 1.00 41.14 H new ATOM 0 HG22 ILE A 80 -9.314 19.584 -17.326 1.00 41.14 H new ATOM 0 HG23 ILE A 80 -10.219 18.108 -16.915 1.00 41.14 H new ATOM 0 HD11 ILE A 80 -8.476 17.104 -12.484 1.00 33.40 H new ATOM 0 HD12 ILE A 80 -7.081 17.345 -13.562 1.00 33.40 H new ATOM 0 HD13 ILE A 80 -7.990 18.750 -12.956 1.00 33.40 H new ATOM 1256 N ASP A 81 -8.881 16.705 -18.347 1.00 73.35 N ATOM 1257 CA ASP A 81 -9.644 15.675 -19.042 1.00 43.45 C ATOM 1258 C ASP A 81 -8.789 14.433 -19.278 1.00 63.41 C ATOM 1259 O ASP A 81 -9.210 13.314 -18.985 1.00 10.43 O ATOM 1260 CB ASP A 81 -10.168 16.210 -20.376 1.00 22.12 C ATOM 1261 CG ASP A 81 -11.291 17.212 -20.197 1.00 32.40 C ATOM 1262 OD1 ASP A 81 -11.794 17.729 -21.216 1.00 43.30 O ATOM 1263 OD2 ASP A 81 -11.667 17.479 -19.036 1.00 23.13 O ATOM 0 H ASP A 81 -8.830 17.596 -18.840 1.00 73.35 H new ATOM 0 HA ASP A 81 -10.491 15.398 -18.414 1.00 43.45 H new ATOM 0 HB2 ASP A 81 -9.350 16.679 -20.922 1.00 22.12 H new ATOM 0 HB3 ASP A 81 -10.521 15.377 -20.984 1.00 22.12 H new ATOM 1268 N MET A 82 -7.590 14.639 -19.811 1.00 51.34 N ATOM 1269 CA MET A 82 -6.677 13.536 -20.087 1.00 0.51 C ATOM 1270 C MET A 82 -6.222 12.871 -18.792 1.00 4.03 C ATOM 1271 O MET A 82 -6.186 11.644 -18.693 1.00 71.11 O ATOM 1272 CB MET A 82 -5.461 14.035 -20.871 1.00 70.41 C ATOM 1273 CG MET A 82 -5.294 13.363 -22.224 1.00 32.11 C ATOM 1274 SD MET A 82 -3.568 13.013 -22.617 1.00 22.34 S ATOM 1275 CE MET A 82 -3.730 11.464 -23.502 1.00 34.15 C ATOM 0 H MET A 82 -7.228 15.559 -20.061 1.00 51.34 H new ATOM 0 HA MET A 82 -7.210 12.798 -20.687 1.00 0.51 H new ATOM 0 HB2 MET A 82 -5.550 15.111 -21.017 1.00 70.41 H new ATOM 0 HB3 MET A 82 -4.562 13.867 -20.278 1.00 70.41 H new ATOM 0 HG2 MET A 82 -5.861 12.432 -22.236 1.00 32.11 H new ATOM 0 HG3 MET A 82 -5.716 14.004 -22.998 1.00 32.11 H new ATOM 0 HE1 MET A 82 -2.741 11.090 -23.766 1.00 34.15 H new ATOM 0 HE2 MET A 82 -4.237 10.735 -22.870 1.00 34.15 H new ATOM 0 HE3 MET A 82 -4.311 11.623 -24.410 1.00 34.15 H new ATOM 1285 N ALA A 83 -5.876 13.687 -17.802 1.00 4.52 N ATOM 1286 CA ALA A 83 -5.426 13.176 -16.513 1.00 51.22 C ATOM 1287 C ALA A 83 -6.464 12.244 -15.898 1.00 44.21 C ATOM 1288 O ALA A 83 -6.123 11.196 -15.348 1.00 53.34 O ATOM 1289 CB ALA A 83 -5.122 14.327 -15.566 1.00 34.31 C ATOM 0 H ALA A 83 -5.899 14.705 -17.868 1.00 4.52 H new ATOM 0 HA ALA A 83 -4.513 12.603 -16.677 1.00 51.22 H new ATOM 0 HB1 ALA A 83 -4.787 13.931 -14.607 1.00 34.31 H new ATOM 0 HB2 ALA A 83 -4.339 14.953 -15.994 1.00 34.31 H new ATOM 0 HB3 ALA A 83 -6.022 14.923 -15.417 1.00 34.31 H new ATOM 1295 N ILE A 84 -7.731 12.631 -15.996 1.00 34.23 N ATOM 1296 CA ILE A 84 -8.819 11.830 -15.449 1.00 5.34 C ATOM 1297 C ILE A 84 -8.907 10.476 -16.146 1.00 22.24 C ATOM 1298 O ILE A 84 -8.868 9.428 -15.500 1.00 62.24 O ATOM 1299 CB ILE A 84 -10.172 12.552 -15.581 1.00 4.52 C ATOM 1300 CG1 ILE A 84 -10.148 13.871 -14.808 1.00 71.31 C ATOM 1301 CG2 ILE A 84 -11.300 11.659 -15.082 1.00 13.33 C ATOM 1302 CD1 ILE A 84 -11.000 14.954 -15.433 1.00 11.54 C ATOM 0 H ILE A 84 -8.030 13.495 -16.449 1.00 34.23 H new ATOM 0 HA ILE A 84 -8.600 11.679 -14.392 1.00 5.34 H new ATOM 0 HB ILE A 84 -10.348 12.773 -16.634 1.00 4.52 H new ATOM 0 HG12 ILE A 84 -10.492 13.692 -13.789 1.00 71.31 H new ATOM 0 HG13 ILE A 84 -9.119 14.224 -14.739 1.00 71.31 H new ATOM 0 HG21 ILE A 84 -12.250 12.183 -15.182 1.00 13.33 H new ATOM 0 HG22 ILE A 84 -11.327 10.743 -15.672 1.00 13.33 H new ATOM 0 HG23 ILE A 84 -11.131 11.410 -14.034 1.00 13.33 H new ATOM 0 HD11 ILE A 84 -10.935 15.861 -14.831 1.00 11.54 H new ATOM 0 HD12 ILE A 84 -10.643 15.161 -16.442 1.00 11.54 H new ATOM 0 HD13 ILE A 84 -12.037 14.621 -15.477 1.00 11.54 H new ATOM 1314 N VAL A 85 -9.025 10.505 -17.470 1.00 2.15 N ATOM 1315 CA VAL A 85 -9.116 9.280 -18.256 1.00 21.02 C ATOM 1316 C VAL A 85 -7.921 8.370 -17.997 1.00 15.01 C ATOM 1317 O VAL A 85 -7.999 7.155 -18.177 1.00 23.40 O ATOM 1318 CB VAL A 85 -9.196 9.586 -19.763 1.00 64.44 C ATOM 1319 CG1 VAL A 85 -9.255 8.296 -20.568 1.00 12.35 C ATOM 1320 CG2 VAL A 85 -10.401 10.465 -20.064 1.00 51.23 C ATOM 0 H VAL A 85 -9.060 11.363 -18.020 1.00 2.15 H new ATOM 0 HA VAL A 85 -10.029 8.772 -17.946 1.00 21.02 H new ATOM 0 HB VAL A 85 -8.296 10.128 -20.054 1.00 64.44 H new ATOM 0 HG11 VAL A 85 -9.311 8.532 -21.631 1.00 12.35 H new ATOM 0 HG12 VAL A 85 -8.360 7.705 -20.375 1.00 12.35 H new ATOM 0 HG13 VAL A 85 -10.136 7.725 -20.276 1.00 12.35 H new ATOM 0 HG21 VAL A 85 -10.443 10.672 -21.133 1.00 51.23 H new ATOM 0 HG22 VAL A 85 -11.312 9.951 -19.758 1.00 51.23 H new ATOM 0 HG23 VAL A 85 -10.313 11.403 -19.516 1.00 51.23 H new ATOM 1330 N THR A 86 -6.811 8.967 -17.571 1.00 21.45 N ATOM 1331 CA THR A 86 -5.598 8.210 -17.287 1.00 35.42 C ATOM 1332 C THR A 86 -5.735 7.416 -15.994 1.00 22.12 C ATOM 1333 O THR A 86 -5.643 6.187 -15.995 1.00 30.42 O ATOM 1334 CB THR A 86 -4.371 9.137 -17.179 1.00 5.33 C ATOM 1335 OG1 THR A 86 -4.133 9.782 -18.434 1.00 53.32 O ATOM 1336 CG2 THR A 86 -3.136 8.352 -16.763 1.00 10.33 C ATOM 0 H THR A 86 -6.728 9.972 -17.415 1.00 21.45 H new ATOM 0 HA THR A 86 -5.453 7.521 -18.119 1.00 35.42 H new ATOM 0 HB THR A 86 -4.577 9.890 -16.418 1.00 5.33 H new ATOM 0 HG1 THR A 86 -4.817 10.467 -18.585 1.00 53.32 H new ATOM 0 HG21 THR A 86 -2.283 9.026 -16.693 1.00 10.33 H new ATOM 0 HG22 THR A 86 -3.311 7.886 -15.793 1.00 10.33 H new ATOM 0 HG23 THR A 86 -2.929 7.580 -17.504 1.00 10.33 H new ATOM 1344 N LEU A 87 -5.957 8.123 -14.890 1.00 44.03 N ATOM 1345 CA LEU A 87 -6.109 7.482 -13.589 1.00 30.31 C ATOM 1346 C LEU A 87 -7.245 6.465 -13.611 1.00 2.32 C ATOM 1347 O LEU A 87 -7.282 5.540 -12.800 1.00 35.43 O ATOM 1348 CB LEU A 87 -6.371 8.533 -12.509 1.00 71.35 C ATOM 1349 CG LEU A 87 -5.407 9.720 -12.479 1.00 63.12 C ATOM 1350 CD1 LEU A 87 -6.133 10.986 -12.052 1.00 33.31 C ATOM 1351 CD2 LEU A 87 -4.237 9.433 -11.548 1.00 71.45 C ATOM 0 H LEU A 87 -6.036 9.140 -14.871 1.00 44.03 H new ATOM 0 HA LEU A 87 -5.182 6.957 -13.360 1.00 30.31 H new ATOM 0 HB2 LEU A 87 -7.383 8.916 -12.641 1.00 71.35 H new ATOM 0 HB3 LEU A 87 -6.340 8.041 -11.537 1.00 71.35 H new ATOM 0 HG LEU A 87 -5.016 9.872 -13.485 1.00 63.12 H new ATOM 0 HD11 LEU A 87 -5.431 11.820 -12.036 1.00 33.31 H new ATOM 0 HD12 LEU A 87 -6.936 11.200 -12.757 1.00 33.31 H new ATOM 0 HD13 LEU A 87 -6.553 10.846 -11.056 1.00 33.31 H new ATOM 0 HD21 LEU A 87 -3.561 10.288 -11.539 1.00 71.45 H new ATOM 0 HD22 LEU A 87 -4.610 9.254 -10.539 1.00 71.45 H new ATOM 0 HD23 LEU A 87 -3.701 8.551 -11.898 1.00 71.45 H new ATOM 1363 N LYS A 88 -8.171 6.640 -14.549 1.00 52.41 N ATOM 1364 CA LYS A 88 -9.307 5.736 -14.681 1.00 73.32 C ATOM 1365 C LYS A 88 -8.880 4.412 -15.307 1.00 13.22 C ATOM 1366 O LYS A 88 -8.918 3.366 -14.658 1.00 73.24 O ATOM 1367 CB LYS A 88 -10.404 6.383 -15.530 1.00 40.20 C ATOM 1368 CG LYS A 88 -11.451 7.119 -14.713 1.00 4.20 C ATOM 1369 CD LYS A 88 -12.858 6.784 -15.180 1.00 30.30 C ATOM 1370 CE LYS A 88 -13.906 7.528 -14.367 1.00 22.42 C ATOM 1371 NZ LYS A 88 -14.354 8.775 -15.047 1.00 64.21 N ATOM 0 H LYS A 88 -8.156 7.400 -15.229 1.00 52.41 H new ATOM 0 HA LYS A 88 -9.698 5.536 -13.683 1.00 73.32 H new ATOM 0 HB2 LYS A 88 -9.945 7.081 -16.231 1.00 40.20 H new ATOM 0 HB3 LYS A 88 -10.895 5.612 -16.124 1.00 40.20 H new ATOM 0 HG2 LYS A 88 -11.344 6.856 -13.661 1.00 4.20 H new ATOM 0 HG3 LYS A 88 -11.286 8.194 -14.792 1.00 4.20 H new ATOM 0 HD2 LYS A 88 -12.964 7.041 -16.234 1.00 30.30 H new ATOM 0 HD3 LYS A 88 -13.025 5.710 -15.095 1.00 30.30 H new ATOM 0 HE2 LYS A 88 -14.764 6.878 -14.199 1.00 22.42 H new ATOM 0 HE3 LYS A 88 -13.497 7.775 -13.387 1.00 22.42 H new ATOM 0 HZ1 LYS A 88 -14.227 9.584 -14.406 1.00 64.21 H new ATOM 0 HZ2 LYS A 88 -13.789 8.923 -15.908 1.00 64.21 H new ATOM 0 HZ3 LYS A 88 -15.359 8.690 -15.302 1.00 64.21 H new ATOM 1385 N VAL A 89 -8.471 4.465 -16.570 1.00 12.30 N ATOM 1386 CA VAL A 89 -8.034 3.270 -17.283 1.00 33.10 C ATOM 1387 C VAL A 89 -6.830 2.632 -16.598 1.00 13.31 C ATOM 1388 O VAL A 89 -6.695 1.409 -16.569 1.00 52.42 O ATOM 1389 CB VAL A 89 -7.669 3.590 -18.744 1.00 61.23 C ATOM 1390 CG1 VAL A 89 -6.555 4.624 -18.803 1.00 12.31 C ATOM 1391 CG2 VAL A 89 -7.270 2.321 -19.484 1.00 54.20 C ATOM 0 H VAL A 89 -8.433 5.322 -17.121 1.00 12.30 H new ATOM 0 HA VAL A 89 -8.870 2.570 -17.270 1.00 33.10 H new ATOM 0 HB VAL A 89 -8.547 4.009 -19.236 1.00 61.23 H new ATOM 0 HG11 VAL A 89 -6.311 4.837 -19.844 1.00 12.31 H new ATOM 0 HG12 VAL A 89 -6.883 5.540 -18.312 1.00 12.31 H new ATOM 0 HG13 VAL A 89 -5.672 4.237 -18.295 1.00 12.31 H new ATOM 0 HG21 VAL A 89 -7.015 2.566 -20.515 1.00 54.20 H new ATOM 0 HG22 VAL A 89 -6.407 1.870 -18.994 1.00 54.20 H new ATOM 0 HG23 VAL A 89 -8.102 1.617 -19.473 1.00 54.20 H new ATOM 1401 N PHE A 90 -5.957 3.469 -16.047 1.00 32.31 N ATOM 1402 CA PHE A 90 -4.763 2.987 -15.362 1.00 63.34 C ATOM 1403 C PHE A 90 -5.134 2.221 -14.096 1.00 24.30 C ATOM 1404 O PHE A 90 -4.617 1.135 -13.840 1.00 5.42 O ATOM 1405 CB PHE A 90 -3.843 4.158 -15.012 1.00 44.11 C ATOM 1406 CG PHE A 90 -2.497 3.730 -14.498 1.00 64.32 C ATOM 1407 CD1 PHE A 90 -2.262 3.629 -13.136 1.00 3.10 C ATOM 1408 CD2 PHE A 90 -1.469 3.430 -15.377 1.00 34.12 C ATOM 1409 CE1 PHE A 90 -1.026 3.235 -12.661 1.00 33.14 C ATOM 1410 CE2 PHE A 90 -0.231 3.035 -14.907 1.00 12.04 C ATOM 1411 CZ PHE A 90 -0.009 2.939 -13.546 1.00 5.44 C ATOM 0 H PHE A 90 -6.054 4.484 -16.061 1.00 32.31 H new ATOM 0 HA PHE A 90 -4.237 2.309 -16.034 1.00 63.34 H new ATOM 0 HB2 PHE A 90 -3.705 4.778 -15.898 1.00 44.11 H new ATOM 0 HB3 PHE A 90 -4.329 4.780 -14.260 1.00 44.11 H new ATOM 0 HD1 PHE A 90 -3.053 3.861 -12.439 1.00 3.10 H new ATOM 0 HD2 PHE A 90 -1.637 3.506 -16.441 1.00 34.12 H new ATOM 0 HE1 PHE A 90 -0.856 3.159 -11.597 1.00 33.14 H new ATOM 0 HE2 PHE A 90 0.562 2.802 -15.602 1.00 12.04 H new ATOM 0 HZ PHE A 90 0.958 2.633 -13.176 1.00 5.44 H new ATOM 1421 N ALA A 91 -6.036 2.797 -13.306 1.00 15.51 N ATOM 1422 CA ALA A 91 -6.477 2.169 -12.067 1.00 21.24 C ATOM 1423 C ALA A 91 -7.033 0.773 -12.327 1.00 14.15 C ATOM 1424 O ALA A 91 -6.672 -0.186 -11.644 1.00 51.23 O ATOM 1425 CB ALA A 91 -7.522 3.036 -11.379 1.00 5.21 C ATOM 0 H ALA A 91 -6.475 3.697 -13.503 1.00 15.51 H new ATOM 0 HA ALA A 91 -5.613 2.071 -11.410 1.00 21.24 H new ATOM 0 HB1 ALA A 91 -7.843 2.555 -10.455 1.00 5.21 H new ATOM 0 HB2 ALA A 91 -7.092 4.011 -11.150 1.00 5.21 H new ATOM 0 HB3 ALA A 91 -8.380 3.163 -12.038 1.00 5.21 H new ATOM 1431 N VAL A 92 -7.912 0.666 -13.317 1.00 40.24 N ATOM 1432 CA VAL A 92 -8.516 -0.614 -13.667 1.00 63.32 C ATOM 1433 C VAL A 92 -7.505 -1.534 -14.339 1.00 10.34 C ATOM 1434 O VAL A 92 -7.479 -2.738 -14.083 1.00 30.12 O ATOM 1435 CB VAL A 92 -9.725 -0.426 -14.605 1.00 14.01 C ATOM 1436 CG1 VAL A 92 -9.306 0.296 -15.877 1.00 63.22 C ATOM 1437 CG2 VAL A 92 -10.362 -1.769 -14.929 1.00 54.42 C ATOM 0 H VAL A 92 -8.222 1.450 -13.891 1.00 40.24 H new ATOM 0 HA VAL A 92 -8.854 -1.069 -12.736 1.00 63.32 H new ATOM 0 HB VAL A 92 -10.467 0.188 -14.095 1.00 14.01 H new ATOM 0 HG11 VAL A 92 -10.172 0.420 -16.527 1.00 63.22 H new ATOM 0 HG12 VAL A 92 -8.900 1.275 -15.623 1.00 63.22 H new ATOM 0 HG13 VAL A 92 -8.545 -0.289 -16.394 1.00 63.22 H new ATOM 0 HG21 VAL A 92 -11.214 -1.617 -15.592 1.00 54.42 H new ATOM 0 HG22 VAL A 92 -9.630 -2.410 -15.420 1.00 54.42 H new ATOM 0 HG23 VAL A 92 -10.700 -2.243 -14.008 1.00 54.42 H new ATOM 1447 N ALA A 93 -6.670 -0.960 -15.200 1.00 64.42 N ATOM 1448 CA ALA A 93 -5.654 -1.729 -15.907 1.00 43.12 C ATOM 1449 C ALA A 93 -4.613 -2.283 -14.939 1.00 51.32 C ATOM 1450 O ALA A 93 -3.868 -3.203 -15.275 1.00 33.11 O ATOM 1451 CB ALA A 93 -4.985 -0.869 -16.969 1.00 23.13 C ATOM 0 H ALA A 93 -6.678 0.035 -15.424 1.00 64.42 H new ATOM 0 HA ALA A 93 -6.145 -2.572 -16.394 1.00 43.12 H new ATOM 0 HB1 ALA A 93 -4.228 -1.456 -17.489 1.00 23.13 H new ATOM 0 HB2 ALA A 93 -5.733 -0.526 -17.684 1.00 23.13 H new ATOM 0 HB3 ALA A 93 -4.514 -0.008 -16.496 1.00 23.13 H new ATOM 1457 N GLY A 94 -4.567 -1.716 -13.738 1.00 22.01 N ATOM 1458 CA GLY A 94 -3.614 -2.166 -12.741 1.00 11.32 C ATOM 1459 C GLY A 94 -4.268 -2.963 -11.631 1.00 11.13 C ATOM 1460 O GLY A 94 -4.030 -4.163 -11.494 1.00 2.33 O ATOM 0 H GLY A 94 -5.173 -0.953 -13.437 1.00 22.01 H new ATOM 0 HA2 GLY A 94 -2.851 -2.778 -13.222 1.00 11.32 H new ATOM 0 HA3 GLY A 94 -3.106 -1.302 -12.313 1.00 11.32 H new ATOM 1464 N LEU A 95 -5.094 -2.294 -10.832 1.00 40.31 N ATOM 1465 CA LEU A 95 -5.784 -2.947 -9.726 1.00 22.05 C ATOM 1466 C LEU A 95 -6.620 -4.124 -10.223 1.00 75.44 C ATOM 1467 O LEU A 95 -6.723 -5.152 -9.555 1.00 32.35 O ATOM 1468 CB LEU A 95 -6.678 -1.945 -8.993 1.00 61.22 C ATOM 1469 CG LEU A 95 -5.968 -0.989 -8.034 1.00 40.32 C ATOM 1470 CD1 LEU A 95 -5.185 -1.767 -6.988 1.00 54.13 C ATOM 1471 CD2 LEU A 95 -5.050 -0.048 -8.801 1.00 1.31 C ATOM 0 H LEU A 95 -5.301 -1.300 -10.930 1.00 40.31 H new ATOM 0 HA LEU A 95 -5.031 -3.326 -9.035 1.00 22.05 H new ATOM 0 HB2 LEU A 95 -7.211 -1.353 -9.736 1.00 61.22 H new ATOM 0 HB3 LEU A 95 -7.428 -2.501 -8.431 1.00 61.22 H new ATOM 0 HG LEU A 95 -6.722 -0.391 -7.523 1.00 40.32 H new ATOM 0 HD11 LEU A 95 -4.686 -1.070 -6.314 1.00 54.13 H new ATOM 0 HD12 LEU A 95 -5.867 -2.398 -6.418 1.00 54.13 H new ATOM 0 HD13 LEU A 95 -4.440 -2.391 -7.481 1.00 54.13 H new ATOM 0 HD21 LEU A 95 -4.553 0.625 -8.102 1.00 1.31 H new ATOM 0 HD22 LEU A 95 -4.301 -0.629 -9.340 1.00 1.31 H new ATOM 0 HD23 LEU A 95 -5.637 0.535 -9.511 1.00 1.31 H new ATOM 1483 N LEU A 96 -7.213 -3.964 -11.401 1.00 21.31 N ATOM 1484 CA LEU A 96 -8.038 -5.012 -11.990 1.00 0.23 C ATOM 1485 C LEU A 96 -7.262 -5.783 -13.054 1.00 34.44 C ATOM 1486 O LEU A 96 -7.747 -6.778 -13.590 1.00 65.13 O ATOM 1487 CB LEU A 96 -9.304 -4.410 -12.603 1.00 34.02 C ATOM 1488 CG LEU A 96 -10.630 -4.883 -12.005 1.00 53.21 C ATOM 1489 CD1 LEU A 96 -11.770 -3.981 -12.453 1.00 54.51 C ATOM 1490 CD2 LEU A 96 -10.905 -6.327 -12.396 1.00 24.14 C ATOM 0 H LEU A 96 -7.138 -3.119 -11.967 1.00 21.31 H new ATOM 0 HA LEU A 96 -8.320 -5.705 -11.198 1.00 0.23 H new ATOM 0 HB2 LEU A 96 -9.251 -3.326 -12.505 1.00 34.02 H new ATOM 0 HB3 LEU A 96 -9.309 -4.634 -13.670 1.00 34.02 H new ATOM 0 HG LEU A 96 -10.557 -4.829 -10.919 1.00 53.21 H new ATOM 0 HD11 LEU A 96 -12.705 -4.333 -12.018 1.00 54.51 H new ATOM 0 HD12 LEU A 96 -11.578 -2.960 -12.123 1.00 54.51 H new ATOM 0 HD13 LEU A 96 -11.845 -4.002 -13.540 1.00 54.51 H new ATOM 0 HD21 LEU A 96 -11.852 -6.647 -11.962 1.00 24.14 H new ATOM 0 HD22 LEU A 96 -10.958 -6.406 -13.482 1.00 24.14 H new ATOM 0 HD23 LEU A 96 -10.102 -6.964 -12.025 1.00 24.14 H new ATOM 1502 N ASN A 97 -6.053 -5.317 -13.351 1.00 25.12 N ATOM 1503 CA ASN A 97 -5.209 -5.964 -14.349 1.00 63.32 C ATOM 1504 C ASN A 97 -5.972 -6.172 -15.654 1.00 32.04 C ATOM 1505 O ASN A 97 -5.714 -7.123 -16.390 1.00 1.32 O ATOM 1506 CB ASN A 97 -4.700 -7.307 -13.823 1.00 51.13 C ATOM 1507 CG ASN A 97 -3.780 -7.149 -12.627 1.00 51.42 C ATOM 1508 OD1 ASN A 97 -2.641 -6.700 -12.762 1.00 11.15 O ATOM 1509 ND2 ASN A 97 -4.271 -7.517 -11.450 1.00 73.34 N ATOM 0 H ASN A 97 -5.636 -4.494 -12.915 1.00 25.12 H new ATOM 0 HA ASN A 97 -4.358 -5.313 -14.546 1.00 63.32 H new ATOM 0 HB2 ASN A 97 -5.550 -7.931 -13.544 1.00 51.13 H new ATOM 0 HB3 ASN A 97 -4.169 -7.829 -14.620 1.00 51.13 H new ATOM 0 HD21 ASN A 97 -3.699 -7.433 -10.610 1.00 73.34 H new ATOM 0 HD22 ASN A 97 -5.221 -7.884 -11.386 1.00 73.34 H new ATOM 1516 N MET A 98 -6.913 -5.276 -15.932 1.00 43.53 N ATOM 1517 CA MET A 98 -7.712 -5.361 -17.150 1.00 33.03 C ATOM 1518 C MET A 98 -7.089 -4.531 -18.268 1.00 70.51 C ATOM 1519 O MET A 98 -7.217 -3.306 -18.290 1.00 51.15 O ATOM 1520 CB MET A 98 -9.141 -4.886 -16.881 1.00 31.02 C ATOM 1521 CG MET A 98 -10.104 -5.178 -18.021 1.00 10.34 C ATOM 1522 SD MET A 98 -11.173 -6.590 -17.682 1.00 73.41 S ATOM 1523 CE MET A 98 -12.534 -5.788 -16.835 1.00 54.14 C ATOM 0 H MET A 98 -7.141 -4.484 -15.332 1.00 43.53 H new ATOM 0 HA MET A 98 -7.737 -6.404 -17.467 1.00 33.03 H new ATOM 0 HB2 MET A 98 -9.509 -5.365 -15.974 1.00 31.02 H new ATOM 0 HB3 MET A 98 -9.129 -3.812 -16.693 1.00 31.02 H new ATOM 0 HG2 MET A 98 -10.719 -4.298 -18.206 1.00 10.34 H new ATOM 0 HG3 MET A 98 -9.536 -5.367 -18.932 1.00 10.34 H new ATOM 0 HE1 MET A 98 -13.281 -6.533 -16.560 1.00 54.14 H new ATOM 0 HE2 MET A 98 -12.164 -5.296 -15.936 1.00 54.14 H new ATOM 0 HE3 MET A 98 -12.987 -5.047 -17.494 1.00 54.14 H new ATOM 1533 N THR A 99 -6.416 -5.204 -19.195 1.00 1.15 N ATOM 1534 CA THR A 99 -5.772 -4.529 -20.314 1.00 40.04 C ATOM 1535 C THR A 99 -6.803 -4.019 -21.315 1.00 62.51 C ATOM 1536 O THR A 99 -7.025 -4.631 -22.360 1.00 10.04 O ATOM 1537 CB THR A 99 -4.786 -5.462 -21.041 1.00 12.10 C ATOM 1538 OG1 THR A 99 -4.327 -4.844 -22.249 1.00 74.01 O ATOM 1539 CG2 THR A 99 -5.441 -6.795 -21.366 1.00 63.00 C ATOM 0 H THR A 99 -6.303 -6.218 -19.193 1.00 1.15 H new ATOM 0 HA THR A 99 -5.222 -3.684 -19.899 1.00 40.04 H new ATOM 0 HB THR A 99 -3.938 -5.643 -20.380 1.00 12.10 H new ATOM 0 HG1 THR A 99 -3.699 -5.443 -22.705 1.00 74.01 H new ATOM 0 HG21 THR A 99 -4.725 -7.437 -21.879 1.00 63.00 H new ATOM 0 HG22 THR A 99 -5.763 -7.277 -20.443 1.00 63.00 H new ATOM 0 HG23 THR A 99 -6.305 -6.629 -22.009 1.00 63.00 H new ATOM 1547 N VAL A 100 -7.432 -2.894 -20.988 1.00 64.44 N ATOM 1548 CA VAL A 100 -8.439 -2.301 -21.860 1.00 62.40 C ATOM 1549 C VAL A 100 -7.837 -1.898 -23.201 1.00 64.34 C ATOM 1550 O VAL A 100 -6.644 -1.611 -23.297 1.00 3.14 O ATOM 1551 CB VAL A 100 -9.088 -1.064 -21.209 1.00 3.44 C ATOM 1552 CG1 VAL A 100 -10.296 -0.610 -22.012 1.00 24.53 C ATOM 1553 CG2 VAL A 100 -9.475 -1.364 -19.768 1.00 63.51 C ATOM 0 H VAL A 100 -7.262 -2.376 -20.126 1.00 64.44 H new ATOM 0 HA VAL A 100 -9.204 -3.061 -22.022 1.00 62.40 H new ATOM 0 HB VAL A 100 -8.361 -0.252 -21.204 1.00 3.44 H new ATOM 0 HG11 VAL A 100 -10.741 0.264 -21.537 1.00 24.53 H new ATOM 0 HG12 VAL A 100 -9.984 -0.354 -23.025 1.00 24.53 H new ATOM 0 HG13 VAL A 100 -11.030 -1.415 -22.051 1.00 24.53 H new ATOM 0 HG21 VAL A 100 -9.932 -0.480 -19.322 1.00 63.51 H new ATOM 0 HG22 VAL A 100 -10.186 -2.190 -19.747 1.00 63.51 H new ATOM 0 HG23 VAL A 100 -8.585 -1.637 -19.201 1.00 63.51 H new ATOM 1563 N SER A 101 -8.671 -1.878 -24.236 1.00 71.52 N ATOM 1564 CA SER A 101 -8.220 -1.512 -25.574 1.00 24.03 C ATOM 1565 C SER A 101 -7.923 -0.018 -25.658 1.00 33.23 C ATOM 1566 O SER A 101 -6.817 0.389 -26.016 1.00 0.21 O ATOM 1567 CB SER A 101 -9.277 -1.893 -26.613 1.00 53.21 C ATOM 1568 OG SER A 101 -9.482 -3.295 -26.641 1.00 20.41 O ATOM 0 H SER A 101 -9.662 -2.111 -24.174 1.00 71.52 H new ATOM 0 HA SER A 101 -7.301 -2.059 -25.783 1.00 24.03 H new ATOM 0 HB2 SER A 101 -10.216 -1.389 -26.383 1.00 53.21 H new ATOM 0 HB3 SER A 101 -8.964 -1.548 -27.598 1.00 53.21 H new ATOM 0 HG SER A 101 -10.163 -3.513 -27.311 1.00 20.41 H new ATOM 1574 N THR A 102 -8.919 0.797 -25.325 1.00 43.44 N ATOM 1575 CA THR A 102 -8.767 2.246 -25.364 1.00 34.23 C ATOM 1576 C THR A 102 -9.108 2.871 -24.015 1.00 44.41 C ATOM 1577 O THR A 102 -9.973 2.378 -23.294 1.00 24.52 O ATOM 1578 CB THR A 102 -9.660 2.876 -26.450 1.00 32.12 C ATOM 1579 OG1 THR A 102 -11.028 2.861 -26.028 1.00 10.43 O ATOM 1580 CG2 THR A 102 -9.521 2.127 -27.766 1.00 40.42 C ATOM 0 H THR A 102 -9.840 0.478 -25.025 1.00 43.44 H new ATOM 0 HA THR A 102 -7.723 2.448 -25.601 1.00 34.23 H new ATOM 0 HB THR A 102 -9.339 3.906 -26.602 1.00 32.12 H new ATOM 0 HG1 THR A 102 -11.589 3.265 -26.723 1.00 10.43 H new ATOM 0 HG21 THR A 102 -10.161 2.590 -28.517 1.00 40.42 H new ATOM 0 HG22 THR A 102 -8.484 2.166 -28.099 1.00 40.42 H new ATOM 0 HG23 THR A 102 -9.819 1.088 -27.626 1.00 40.42 H new ATOM 1588 N ALA A 103 -8.422 3.959 -23.683 1.00 12.14 N ATOM 1589 CA ALA A 103 -8.655 4.653 -22.423 1.00 23.14 C ATOM 1590 C ALA A 103 -10.135 4.962 -22.231 1.00 63.41 C ATOM 1591 O ALA A 103 -10.651 4.909 -21.115 1.00 33.11 O ATOM 1592 CB ALA A 103 -7.835 5.934 -22.365 1.00 3.44 C ATOM 0 H ALA A 103 -7.700 4.379 -24.269 1.00 12.14 H new ATOM 0 HA ALA A 103 -8.340 3.996 -21.613 1.00 23.14 H new ATOM 0 HB1 ALA A 103 -8.019 6.442 -21.418 1.00 3.44 H new ATOM 0 HB2 ALA A 103 -6.775 5.692 -22.446 1.00 3.44 H new ATOM 0 HB3 ALA A 103 -8.122 6.587 -23.189 1.00 3.44 H new ATOM 1598 N ALA A 104 -10.814 5.286 -23.328 1.00 12.14 N ATOM 1599 CA ALA A 104 -12.236 5.602 -23.280 1.00 72.20 C ATOM 1600 C ALA A 104 -13.048 4.408 -22.793 1.00 4.21 C ATOM 1601 O ALA A 104 -13.822 4.517 -21.842 1.00 23.52 O ATOM 1602 CB ALA A 104 -12.723 6.051 -24.650 1.00 63.02 C ATOM 0 H ALA A 104 -10.402 5.336 -24.260 1.00 12.14 H new ATOM 0 HA ALA A 104 -12.378 6.417 -22.571 1.00 72.20 H new ATOM 0 HB1 ALA A 104 -13.787 6.284 -24.600 1.00 63.02 H new ATOM 0 HB2 ALA A 104 -12.171 6.939 -24.959 1.00 63.02 H new ATOM 0 HB3 ALA A 104 -12.560 5.252 -25.374 1.00 63.02 H new ATOM 1608 N ALA A 105 -12.868 3.267 -23.451 1.00 61.54 N ATOM 1609 CA ALA A 105 -13.583 2.051 -23.084 1.00 70.34 C ATOM 1610 C ALA A 105 -13.414 1.742 -21.600 1.00 61.44 C ATOM 1611 O ALA A 105 -14.365 1.346 -20.926 1.00 43.25 O ATOM 1612 CB ALA A 105 -13.102 0.881 -23.928 1.00 2.13 C ATOM 0 H ALA A 105 -12.232 3.160 -24.242 1.00 61.54 H new ATOM 0 HA ALA A 105 -14.644 2.210 -23.276 1.00 70.34 H new ATOM 0 HB1 ALA A 105 -13.645 -0.020 -23.643 1.00 2.13 H new ATOM 0 HB2 ALA A 105 -13.281 1.095 -24.982 1.00 2.13 H new ATOM 0 HB3 ALA A 105 -12.035 0.729 -23.765 1.00 2.13 H new ATOM 1618 N ALA A 106 -12.198 1.925 -21.098 1.00 15.34 N ATOM 1619 CA ALA A 106 -11.904 1.666 -19.693 1.00 64.13 C ATOM 1620 C ALA A 106 -12.594 2.685 -18.792 1.00 3.23 C ATOM 1621 O ALA A 106 -12.991 2.366 -17.671 1.00 53.30 O ATOM 1622 CB ALA A 106 -10.402 1.681 -19.457 1.00 11.35 C ATOM 0 H ALA A 106 -11.400 2.252 -21.643 1.00 15.34 H new ATOM 0 HA ALA A 106 -12.290 0.678 -19.442 1.00 64.13 H new ATOM 0 HB1 ALA A 106 -10.197 1.486 -18.404 1.00 11.35 H new ATOM 0 HB2 ALA A 106 -9.930 0.911 -20.067 1.00 11.35 H new ATOM 0 HB3 ALA A 106 -10.000 2.657 -19.730 1.00 11.35 H new ATOM 1628 N GLU A 107 -12.733 3.909 -19.288 1.00 41.33 N ATOM 1629 CA GLU A 107 -13.374 4.975 -18.526 1.00 24.15 C ATOM 1630 C GLU A 107 -14.863 4.694 -18.344 1.00 62.04 C ATOM 1631 O GLU A 107 -15.396 4.807 -17.242 1.00 65.12 O ATOM 1632 CB GLU A 107 -13.179 6.321 -19.226 1.00 75.31 C ATOM 1633 CG GLU A 107 -14.011 7.443 -18.628 1.00 71.44 C ATOM 1634 CD GLU A 107 -13.233 8.738 -18.490 1.00 42.41 C ATOM 1635 OE1 GLU A 107 -12.803 9.054 -17.361 1.00 5.42 O ATOM 1636 OE2 GLU A 107 -13.053 9.434 -19.510 1.00 43.34 O ATOM 0 H GLU A 107 -12.411 4.188 -20.215 1.00 41.33 H new ATOM 0 HA GLU A 107 -12.907 5.015 -17.542 1.00 24.15 H new ATOM 0 HB2 GLU A 107 -12.125 6.596 -19.179 1.00 75.31 H new ATOM 0 HB3 GLU A 107 -13.434 6.213 -20.280 1.00 75.31 H new ATOM 0 HG2 GLU A 107 -14.886 7.615 -19.255 1.00 71.44 H new ATOM 0 HG3 GLU A 107 -14.376 7.137 -17.648 1.00 71.44 H new ATOM 1643 N ASN A 108 -15.528 4.327 -19.436 1.00 52.32 N ATOM 1644 CA ASN A 108 -16.954 4.031 -19.398 1.00 64.24 C ATOM 1645 C ASN A 108 -17.241 2.849 -18.477 1.00 34.20 C ATOM 1646 O ASN A 108 -18.197 2.871 -17.702 1.00 3.20 O ATOM 1647 CB ASN A 108 -17.472 3.731 -20.806 1.00 42.45 C ATOM 1648 CG ASN A 108 -18.642 4.615 -21.194 1.00 75.23 C ATOM 1649 OD1 ASN A 108 -19.489 4.941 -20.363 1.00 23.43 O ATOM 1650 ND2 ASN A 108 -18.692 5.008 -22.461 1.00 62.15 N ATOM 0 H ASN A 108 -15.101 4.228 -20.357 1.00 52.32 H new ATOM 0 HA ASN A 108 -17.470 4.908 -19.007 1.00 64.24 H new ATOM 0 HB2 ASN A 108 -16.663 3.868 -21.524 1.00 42.45 H new ATOM 0 HB3 ASN A 108 -17.776 2.686 -20.863 1.00 42.45 H new ATOM 0 HD21 ASN A 108 -19.455 5.605 -22.780 1.00 62.15 H new ATOM 0 HD22 ASN A 108 -17.967 4.713 -23.115 1.00 62.15 H new ATOM 1657 N MET A 109 -16.406 1.819 -18.566 1.00 54.23 N ATOM 1658 CA MET A 109 -16.569 0.630 -17.740 1.00 11.44 C ATOM 1659 C MET A 109 -16.202 0.922 -16.288 1.00 22.44 C ATOM 1660 O MET A 109 -16.874 0.464 -15.364 1.00 24.13 O ATOM 1661 CB MET A 109 -15.703 -0.512 -18.276 1.00 14.12 C ATOM 1662 CG MET A 109 -15.820 -1.794 -17.468 1.00 11.54 C ATOM 1663 SD MET A 109 -14.229 -2.374 -16.849 1.00 21.12 S ATOM 1664 CE MET A 109 -14.757 -3.550 -15.606 1.00 25.14 C ATOM 0 H MET A 109 -15.610 1.784 -19.202 1.00 54.23 H new ATOM 0 HA MET A 109 -17.617 0.332 -17.779 1.00 11.44 H new ATOM 0 HB2 MET A 109 -15.984 -0.716 -19.309 1.00 14.12 H new ATOM 0 HB3 MET A 109 -14.661 -0.193 -18.287 1.00 14.12 H new ATOM 0 HG2 MET A 109 -16.494 -1.629 -16.627 1.00 11.54 H new ATOM 0 HG3 MET A 109 -16.269 -2.570 -18.088 1.00 11.54 H new ATOM 0 HE1 MET A 109 -13.968 -3.674 -14.864 1.00 25.14 H new ATOM 0 HE2 MET A 109 -15.660 -3.183 -15.118 1.00 25.14 H new ATOM 0 HE3 MET A 109 -14.965 -4.510 -16.078 1.00 25.14 H new ATOM 1674 N TYR A 110 -15.134 1.687 -16.095 1.00 53.12 N ATOM 1675 CA TYR A 110 -14.677 2.038 -14.755 1.00 53.42 C ATOM 1676 C TYR A 110 -15.801 2.678 -13.947 1.00 10.11 C ATOM 1677 O TYR A 110 -16.011 2.344 -12.781 1.00 31.13 O ATOM 1678 CB TYR A 110 -13.484 2.992 -14.834 1.00 40.24 C ATOM 1679 CG TYR A 110 -12.925 3.375 -13.483 1.00 12.21 C ATOM 1680 CD1 TYR A 110 -11.933 2.612 -12.878 1.00 63.11 C ATOM 1681 CD2 TYR A 110 -13.387 4.499 -12.811 1.00 33.22 C ATOM 1682 CE1 TYR A 110 -11.419 2.958 -11.643 1.00 40.31 C ATOM 1683 CE2 TYR A 110 -12.878 4.853 -11.575 1.00 43.15 C ATOM 1684 CZ TYR A 110 -11.894 4.080 -10.996 1.00 5.02 C ATOM 1685 OH TYR A 110 -11.386 4.427 -9.766 1.00 11.11 O ATOM 0 H TYR A 110 -14.568 2.076 -16.849 1.00 53.12 H new ATOM 0 HA TYR A 110 -14.368 1.122 -14.252 1.00 53.42 H new ATOM 0 HB2 TYR A 110 -12.696 2.526 -15.425 1.00 40.24 H new ATOM 0 HB3 TYR A 110 -13.787 3.896 -15.362 1.00 40.24 H new ATOM 0 HD1 TYR A 110 -11.558 1.734 -13.382 1.00 63.11 H new ATOM 0 HD2 TYR A 110 -14.157 5.107 -13.262 1.00 33.22 H new ATOM 0 HE1 TYR A 110 -10.649 2.353 -11.187 1.00 40.31 H new ATOM 0 HE2 TYR A 110 -13.249 5.730 -11.066 1.00 43.15 H new ATOM 0 HH TYR A 110 -11.642 5.349 -9.555 1.00 11.11 H new ATOM 1695 N SER A 111 -16.522 3.601 -14.575 1.00 64.33 N ATOM 1696 CA SER A 111 -17.625 4.291 -13.915 1.00 1.32 C ATOM 1697 C SER A 111 -18.884 3.431 -13.918 1.00 44.22 C ATOM 1698 O SER A 111 -19.658 3.440 -12.962 1.00 75.45 O ATOM 1699 CB SER A 111 -17.903 5.627 -14.605 1.00 63.40 C ATOM 1700 OG SER A 111 -18.698 5.447 -15.765 1.00 24.13 O ATOM 0 H SER A 111 -16.362 3.889 -15.540 1.00 64.33 H new ATOM 0 HA SER A 111 -17.338 4.478 -12.880 1.00 1.32 H new ATOM 0 HB2 SER A 111 -18.411 6.298 -13.913 1.00 63.40 H new ATOM 0 HB3 SER A 111 -16.961 6.103 -14.877 1.00 63.40 H new ATOM 0 HG SER A 111 -18.863 6.316 -16.187 1.00 24.13 H new ATOM 1706 N GLN A 112 -19.082 2.687 -15.003 1.00 65.42 N ATOM 1707 CA GLN A 112 -20.249 1.821 -15.132 1.00 72.21 C ATOM 1708 C GLN A 112 -20.228 0.719 -14.078 1.00 72.03 C ATOM 1709 O GLN A 112 -21.276 0.234 -13.653 1.00 0.21 O ATOM 1710 CB GLN A 112 -20.301 1.205 -16.531 1.00 11.24 C ATOM 1711 CG GLN A 112 -20.992 2.086 -17.559 1.00 52.40 C ATOM 1712 CD GLN A 112 -20.576 1.761 -18.980 1.00 43.40 C ATOM 1713 OE1 GLN A 112 -19.513 1.185 -19.211 1.00 52.52 O ATOM 1714 NE2 GLN A 112 -21.415 2.129 -19.941 1.00 53.33 N ATOM 0 H GLN A 112 -18.450 2.667 -15.804 1.00 65.42 H new ATOM 0 HA GLN A 112 -21.140 2.429 -14.978 1.00 72.21 H new ATOM 0 HB2 GLN A 112 -19.284 0.999 -16.866 1.00 11.24 H new ATOM 0 HB3 GLN A 112 -20.819 0.248 -16.478 1.00 11.24 H new ATOM 0 HG2 GLN A 112 -22.072 1.969 -17.465 1.00 52.40 H new ATOM 0 HG3 GLN A 112 -20.765 3.131 -17.348 1.00 52.40 H new ATOM 0 HE21 GLN A 112 -22.286 2.604 -19.703 1.00 53.33 H new ATOM 0 HE22 GLN A 112 -21.189 1.936 -20.917 1.00 53.33 H new ATOM 1723 N MET A 113 -19.028 0.329 -13.661 1.00 42.03 N ATOM 1724 CA MET A 113 -18.871 -0.716 -12.657 1.00 32.54 C ATOM 1725 C MET A 113 -19.184 -0.181 -11.263 1.00 33.12 C ATOM 1726 O MET A 113 -19.487 -0.945 -10.348 1.00 33.43 O ATOM 1727 CB MET A 113 -17.450 -1.279 -12.692 1.00 43.51 C ATOM 1728 CG MET A 113 -17.383 -2.778 -12.450 1.00 42.51 C ATOM 1729 SD MET A 113 -16.855 -3.190 -10.777 1.00 35.43 S ATOM 1730 CE MET A 113 -15.353 -4.107 -11.110 1.00 43.32 C ATOM 0 H MET A 113 -18.151 0.721 -14.003 1.00 42.03 H new ATOM 0 HA MET A 113 -19.575 -1.515 -12.888 1.00 32.54 H new ATOM 0 HB2 MET A 113 -17.003 -1.056 -13.661 1.00 43.51 H new ATOM 0 HB3 MET A 113 -16.848 -0.771 -11.939 1.00 43.51 H new ATOM 0 HG2 MET A 113 -18.364 -3.216 -12.635 1.00 42.51 H new ATOM 0 HG3 MET A 113 -16.693 -3.227 -13.165 1.00 42.51 H new ATOM 0 HE1 MET A 113 -14.707 -4.079 -10.232 1.00 43.32 H new ATOM 0 HE2 MET A 113 -15.603 -5.142 -11.344 1.00 43.32 H new ATOM 0 HE3 MET A 113 -14.833 -3.659 -11.957 1.00 43.32 H new ATOM 1740 N GLY A 114 -19.107 1.137 -11.108 1.00 55.02 N ATOM 1741 CA GLY A 114 -19.383 1.752 -9.823 1.00 50.41 C ATOM 1742 C GLY A 114 -18.129 2.266 -9.144 1.00 71.14 C ATOM 1743 O GLY A 114 -18.102 2.444 -7.926 1.00 35.44 O ATOM 0 H GLY A 114 -18.858 1.791 -11.850 1.00 55.02 H new ATOM 0 HA2 GLY A 114 -20.082 2.577 -9.961 1.00 50.41 H new ATOM 0 HA3 GLY A 114 -19.872 1.026 -9.174 1.00 50.41 H new