USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 398 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 Single : A 1 VAL N :NH3+ -162:sc= -0.13 (180deg=-0.617) USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= -0.0547 (180deg=-0.308) USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= -1.66 (180deg=-2.38) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ -161:sc= -0.291 (180deg=-1) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.699 USER MOD Single : B 6 THR OG1 : rot 43:sc= 0.981 USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : B 9 ASN :FLIP amide:sc= -0.739 F(o=-3.4,f=-0.74) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 HIS : no HD1:sc= -7.77! C(o=-7.8!,f=-9.4!) USER MOD Single : B 22 ASN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 125:sc= 0.0119 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.713 0.475 -20.151 1.00 3.00 N ATOM 2 CA VAL A 1 -4.514 1.189 -20.576 1.00 12.15 C ATOM 3 C VAL A 1 -3.998 2.104 -19.472 1.00 2.45 C ATOM 4 O VAL A 1 -4.779 2.687 -18.720 1.00 74.43 O ATOM 5 CB VAL A 1 -4.779 2.025 -21.841 1.00 45.04 C ATOM 6 CG1 VAL A 1 -3.480 2.614 -22.374 1.00 44.30 C ATOM 7 CG2 VAL A 1 -5.466 1.182 -22.904 1.00 4.42 C ATOM 0 H1 VAL A 1 -5.868 -0.344 -20.773 1.00 3.00 H new ATOM 0 H2 VAL A 1 -5.593 0.148 -19.171 1.00 3.00 H new ATOM 0 H3 VAL A 1 -6.534 1.111 -20.206 1.00 3.00 H new ATOM 0 HA VAL A 1 -3.759 0.435 -20.799 1.00 12.15 H new ATOM 0 HB VAL A 1 -5.443 2.848 -21.578 1.00 45.04 H new ATOM 0 HG11 VAL A 1 -3.687 3.202 -23.268 1.00 44.30 H new ATOM 0 HG12 VAL A 1 -3.032 3.255 -21.614 1.00 44.30 H new ATOM 0 HG13 VAL A 1 -2.789 1.808 -22.621 1.00 44.30 H new ATOM 0 HG21 VAL A 1 -5.645 1.790 -23.791 1.00 4.42 H new ATOM 0 HG22 VAL A 1 -4.829 0.337 -23.166 1.00 4.42 H new ATOM 0 HG23 VAL A 1 -6.417 0.814 -22.518 1.00 4.42 H new ATOM 17 N ALA A 2 -2.678 2.227 -19.382 1.00 4.13 N ATOM 18 CA ALA A 2 -2.058 3.075 -18.372 1.00 74.31 C ATOM 19 C ALA A 2 -1.954 4.518 -18.854 1.00 72.34 C ATOM 20 O ALA A 2 -0.919 4.937 -19.371 1.00 51.55 O ATOM 21 CB ALA A 2 -0.682 2.539 -18.005 1.00 53.31 C ATOM 0 H ALA A 2 -2.018 1.750 -19.996 1.00 4.13 H new ATOM 0 HA ALA A 2 -2.690 3.061 -17.484 1.00 74.31 H new ATOM 0 HB1 ALA A 2 -0.231 3.182 -17.250 1.00 53.31 H new ATOM 0 HB2 ALA A 2 -0.779 1.528 -17.610 1.00 53.31 H new ATOM 0 HB3 ALA A 2 -0.049 2.522 -18.892 1.00 53.31 H new ATOM 27 N ARG A 3 -3.033 5.274 -18.680 1.00 23.12 N ATOM 28 CA ARG A 3 -3.064 6.670 -19.099 1.00 60.21 C ATOM 29 C ARG A 3 -3.261 7.594 -17.901 1.00 51.13 C ATOM 30 O ARG A 3 -2.967 8.786 -17.968 1.00 60.23 O ATOM 31 CB ARG A 3 -4.183 6.894 -20.119 1.00 74.21 C ATOM 32 CG ARG A 3 -5.433 6.075 -19.841 1.00 71.43 C ATOM 33 CD ARG A 3 -6.667 6.720 -20.452 1.00 32.51 C ATOM 34 NE ARG A 3 -7.368 5.812 -21.357 1.00 64.41 N ATOM 35 CZ ARG A 3 -6.930 5.504 -22.572 1.00 71.23 C ATOM 36 NH1 ARG A 3 -5.798 6.027 -23.025 1.00 31.25 N ATOM 37 NH2 ARG A 3 -7.623 4.671 -23.337 1.00 14.21 N ATOM 0 H ARG A 3 -3.897 4.943 -18.252 1.00 23.12 H new ATOM 0 HA ARG A 3 -2.106 6.905 -19.563 1.00 60.21 H new ATOM 0 HB2 ARG A 3 -4.447 7.952 -20.130 1.00 74.21 H new ATOM 0 HB3 ARG A 3 -3.811 6.648 -21.114 1.00 74.21 H new ATOM 0 HG2 ARG A 3 -5.308 5.070 -20.244 1.00 71.43 H new ATOM 0 HG3 ARG A 3 -5.570 5.972 -18.765 1.00 71.43 H new ATOM 0 HD2 ARG A 3 -7.344 7.033 -19.657 1.00 32.51 H new ATOM 0 HD3 ARG A 3 -6.375 7.619 -20.995 1.00 32.51 H new ATOM 0 HE ARG A 3 -8.241 5.392 -21.038 1.00 64.41 H new ATOM 0 HH11 ARG A 3 -5.262 6.667 -22.439 1.00 31.25 H new ATOM 0 HH12 ARG A 3 -5.464 5.789 -23.959 1.00 31.25 H new ATOM 0 HH21 ARG A 3 -8.493 4.266 -22.992 1.00 14.21 H new ATOM 0 HH22 ARG A 3 -7.286 4.435 -24.270 1.00 14.21 H new ATOM 51 N GLY A 4 -3.763 7.033 -16.805 1.00 75.10 N ATOM 52 CA GLY A 4 -3.991 7.820 -15.607 1.00 71.51 C ATOM 53 C GLY A 4 -2.699 8.256 -14.944 1.00 2.12 C ATOM 54 O GLY A 4 -2.701 9.143 -14.090 1.00 73.32 O ATOM 0 H GLY A 4 -4.016 6.048 -16.725 1.00 75.10 H new ATOM 0 HA2 GLY A 4 -4.580 8.701 -15.862 1.00 71.51 H new ATOM 0 HA3 GLY A 4 -4.580 7.236 -14.899 1.00 71.51 H new ATOM 58 N TRP A 5 -1.596 7.631 -15.336 1.00 10.30 N ATOM 59 CA TRP A 5 -0.291 7.958 -14.772 1.00 23.03 C ATOM 60 C TRP A 5 0.686 8.375 -15.866 1.00 2.21 C ATOM 61 O TRP A 5 1.793 8.833 -15.583 1.00 52.34 O ATOM 62 CB TRP A 5 0.268 6.763 -14.001 1.00 73.44 C ATOM 63 CG TRP A 5 -0.788 5.803 -13.544 1.00 15.51 C ATOM 64 CD1 TRP A 5 -1.836 6.072 -12.712 1.00 51.01 C ATOM 65 CD2 TRP A 5 -0.897 4.419 -13.896 1.00 34.21 C ATOM 66 NE1 TRP A 5 -2.590 4.940 -12.523 1.00 12.43 N ATOM 67 CE2 TRP A 5 -2.036 3.912 -13.240 1.00 12.31 C ATOM 68 CE3 TRP A 5 -0.146 3.560 -14.701 1.00 53.11 C ATOM 69 CZ2 TRP A 5 -2.438 2.585 -13.366 1.00 74.03 C ATOM 70 CZ3 TRP A 5 -0.546 2.242 -14.824 1.00 63.05 C ATOM 71 CH2 TRP A 5 -1.683 1.765 -14.160 1.00 3.12 C ATOM 0 H TRP A 5 -1.578 6.895 -16.042 1.00 10.30 H new ATOM 0 HA TRP A 5 -0.419 8.796 -14.087 1.00 23.03 H new ATOM 0 HB2 TRP A 5 0.981 6.234 -14.633 1.00 73.44 H new ATOM 0 HB3 TRP A 5 0.819 7.125 -13.133 1.00 73.44 H new ATOM 0 HD1 TRP A 5 -2.042 7.034 -12.267 1.00 51.01 H new ATOM 0 HE1 TRP A 5 -3.427 4.875 -11.943 1.00 12.43 H new ATOM 0 HE3 TRP A 5 0.732 3.919 -15.218 1.00 53.11 H new ATOM 0 HZ2 TRP A 5 -3.315 2.216 -12.855 1.00 74.03 H new ATOM 0 HZ3 TRP A 5 0.028 1.569 -15.443 1.00 63.05 H new ATOM 0 HH2 TRP A 5 -1.969 0.730 -14.277 1.00 3.12 H new ATOM 82 N LYS A 6 0.270 8.215 -17.118 1.00 22.34 N ATOM 83 CA LYS A 6 1.107 8.576 -18.256 1.00 1.11 C ATOM 84 C LYS A 6 0.762 9.972 -18.764 1.00 24.43 C ATOM 85 O LYS A 6 1.540 10.588 -19.491 1.00 44.14 O ATOM 86 CB LYS A 6 0.938 7.555 -19.383 1.00 64.21 C ATOM 87 CG LYS A 6 1.574 7.986 -20.694 1.00 50.01 C ATOM 88 CD LYS A 6 0.560 8.638 -21.618 1.00 42.11 C ATOM 89 CE LYS A 6 0.336 7.809 -22.873 1.00 4.50 C ATOM 90 NZ LYS A 6 1.573 7.699 -23.694 1.00 75.25 N ATOM 0 H LYS A 6 -0.643 7.837 -17.370 1.00 22.34 H new ATOM 0 HA LYS A 6 2.146 8.575 -17.926 1.00 1.11 H new ATOM 0 HB2 LYS A 6 1.375 6.606 -19.071 1.00 64.21 H new ATOM 0 HB3 LYS A 6 -0.125 7.378 -19.545 1.00 64.21 H new ATOM 0 HG2 LYS A 6 2.386 8.685 -20.493 1.00 50.01 H new ATOM 0 HG3 LYS A 6 2.014 7.120 -21.188 1.00 50.01 H new ATOM 0 HD2 LYS A 6 -0.386 8.765 -21.091 1.00 42.11 H new ATOM 0 HD3 LYS A 6 0.906 9.634 -21.895 1.00 42.11 H new ATOM 0 HE2 LYS A 6 -0.004 6.812 -22.593 1.00 4.50 H new ATOM 0 HE3 LYS A 6 -0.457 8.260 -23.470 1.00 4.50 H new ATOM 0 HZ1 LYS A 6 1.317 7.503 -24.683 1.00 75.25 H new ATOM 0 HZ2 LYS A 6 2.104 8.592 -23.644 1.00 75.25 H new ATOM 0 HZ3 LYS A 6 2.164 6.924 -23.330 1.00 75.25 H new ATOM 104 N ARG A 7 -0.410 10.465 -18.376 1.00 22.21 N ATOM 105 CA ARG A 7 -0.858 11.788 -18.793 1.00 63.21 C ATOM 106 C ARG A 7 -0.999 12.718 -17.591 1.00 51.13 C ATOM 107 O ARG A 7 -0.841 13.933 -17.710 1.00 5.00 O ATOM 108 CB ARG A 7 -2.193 11.689 -19.533 1.00 43.33 C ATOM 109 CG ARG A 7 -3.393 11.560 -18.610 1.00 12.30 C ATOM 110 CD ARG A 7 -4.002 12.916 -18.293 1.00 21.32 C ATOM 111 NE ARG A 7 -5.414 12.982 -18.661 1.00 72.31 N ATOM 112 CZ ARG A 7 -5.841 13.230 -19.894 1.00 41.21 C ATOM 113 NH1 ARG A 7 -4.970 13.435 -20.873 1.00 21.31 N ATOM 114 NH2 ARG A 7 -7.143 13.274 -20.150 1.00 40.15 N ATOM 0 H ARG A 7 -1.066 9.968 -17.774 1.00 22.21 H new ATOM 0 HA ARG A 7 -0.107 12.202 -19.466 1.00 63.21 H new ATOM 0 HB2 ARG A 7 -2.319 12.574 -20.157 1.00 43.33 H new ATOM 0 HB3 ARG A 7 -2.165 10.828 -20.201 1.00 43.33 H new ATOM 0 HG2 ARG A 7 -4.145 10.923 -19.076 1.00 12.30 H new ATOM 0 HG3 ARG A 7 -3.090 11.071 -17.684 1.00 12.30 H new ATOM 0 HD2 ARG A 7 -3.895 13.121 -17.228 1.00 21.32 H new ATOM 0 HD3 ARG A 7 -3.452 13.693 -18.824 1.00 21.32 H new ATOM 0 HE ARG A 7 -6.110 12.829 -17.931 1.00 72.31 H new ATOM 0 HH11 ARG A 7 -3.969 13.402 -20.680 1.00 21.31 H new ATOM 0 HH12 ARG A 7 -5.301 13.625 -21.819 1.00 21.31 H new ATOM 0 HH21 ARG A 7 -7.816 13.117 -19.400 1.00 40.15 H new ATOM 0 HH22 ARG A 7 -7.470 13.465 -21.097 1.00 40.15 H new ATOM 128 N LYS A 8 -1.297 12.139 -16.433 1.00 13.11 N ATOM 129 CA LYS A 8 -1.458 12.913 -15.209 1.00 33.23 C ATOM 130 C LYS A 8 -0.105 13.223 -14.577 1.00 3.50 C ATOM 131 O LYS A 8 0.203 12.752 -13.482 1.00 22.44 O ATOM 132 CB LYS A 8 -2.335 12.152 -14.211 1.00 30.42 C ATOM 133 CG LYS A 8 -3.696 11.768 -14.767 1.00 73.04 C ATOM 134 CD LYS A 8 -4.663 12.939 -14.732 1.00 60.22 C ATOM 135 CE LYS A 8 -5.975 12.599 -15.423 1.00 30.20 C ATOM 136 NZ LYS A 8 -6.932 11.933 -14.498 1.00 14.22 N ATOM 0 H LYS A 8 -1.432 11.135 -16.317 1.00 13.11 H new ATOM 0 HA LYS A 8 -1.943 13.854 -15.467 1.00 33.23 H new ATOM 0 HB2 LYS A 8 -1.813 11.249 -13.896 1.00 30.42 H new ATOM 0 HB3 LYS A 8 -2.475 12.766 -13.321 1.00 30.42 H new ATOM 0 HG2 LYS A 8 -3.585 11.417 -15.793 1.00 73.04 H new ATOM 0 HG3 LYS A 8 -4.105 10.939 -14.189 1.00 73.04 H new ATOM 0 HD2 LYS A 8 -4.858 13.221 -13.697 1.00 60.22 H new ATOM 0 HD3 LYS A 8 -4.208 13.803 -15.217 1.00 60.22 H new ATOM 0 HE2 LYS A 8 -6.425 13.510 -15.817 1.00 30.20 H new ATOM 0 HE3 LYS A 8 -5.779 11.947 -16.274 1.00 30.20 H new ATOM 0 HZ1 LYS A 8 -7.688 11.479 -15.049 1.00 14.22 H new ATOM 0 HZ2 LYS A 8 -6.431 11.213 -13.939 1.00 14.22 H new ATOM 0 HZ3 LYS A 8 -7.347 12.641 -13.859 1.00 14.22 H new ATOM 150 N CYS A 9 0.699 14.019 -15.275 1.00 10.01 N ATOM 151 CA CYS A 9 2.020 14.392 -14.782 1.00 21.13 C ATOM 152 C CYS A 9 1.911 15.395 -13.639 1.00 21.54 C ATOM 153 O CYS A 9 2.332 15.137 -12.511 1.00 12.25 O ATOM 154 CB CYS A 9 2.862 14.982 -15.915 1.00 62.10 C ATOM 155 SG CYS A 9 4.205 13.909 -16.473 1.00 61.23 S ATOM 0 H CYS A 9 0.459 14.418 -16.183 1.00 10.01 H new ATOM 0 HA CYS A 9 2.508 13.492 -14.406 1.00 21.13 H new ATOM 0 HB2 CYS A 9 2.211 15.201 -16.761 1.00 62.10 H new ATOM 0 HB3 CYS A 9 3.283 15.931 -15.584 1.00 62.10 H new ATOM 0 HG CYS A 9 4.857 14.494 -17.433 1.00 61.23 H new ATOM 161 N PRO A 10 1.332 16.570 -13.935 1.00 74.12 N ATOM 162 CA PRO A 10 1.155 17.636 -12.944 1.00 1.14 C ATOM 163 C PRO A 10 0.115 17.278 -11.887 1.00 43.05 C ATOM 164 O PRO A 10 -0.017 17.966 -10.874 1.00 64.12 O ATOM 165 CB PRO A 10 0.678 18.823 -13.784 1.00 20.21 C ATOM 166 CG PRO A 10 0.039 18.208 -14.981 1.00 71.24 C ATOM 167 CD PRO A 10 0.808 16.946 -15.257 1.00 11.33 C ATOM 0 HA PRO A 10 2.071 17.831 -12.386 1.00 1.14 H new ATOM 0 HB2 PRO A 10 -0.030 19.440 -13.231 1.00 20.21 H new ATOM 0 HB3 PRO A 10 1.510 19.468 -14.067 1.00 20.21 H new ATOM 0 HG2 PRO A 10 -1.013 17.991 -14.794 1.00 71.24 H new ATOM 0 HG3 PRO A 10 0.078 18.884 -15.835 1.00 71.24 H new ATOM 0 HD2 PRO A 10 0.167 16.168 -15.672 1.00 11.33 H new ATOM 0 HD3 PRO A 10 1.611 17.114 -15.975 1.00 11.33 H new ATOM 175 N LEU A 11 -0.621 16.199 -12.130 1.00 73.54 N ATOM 176 CA LEU A 11 -1.649 15.749 -11.197 1.00 42.24 C ATOM 177 C LEU A 11 -1.126 14.624 -10.311 1.00 70.34 C ATOM 178 O LEU A 11 -0.861 14.824 -9.125 1.00 22.02 O ATOM 179 CB LEU A 11 -2.887 15.279 -11.962 1.00 62.20 C ATOM 180 CG LEU A 11 -3.902 16.363 -12.328 1.00 73.30 C ATOM 181 CD1 LEU A 11 -4.541 16.063 -13.674 1.00 12.55 C ATOM 182 CD2 LEU A 11 -4.966 16.484 -11.245 1.00 13.00 C ATOM 0 H LEU A 11 -0.525 15.620 -12.964 1.00 73.54 H new ATOM 0 HA LEU A 11 -1.921 16.590 -10.559 1.00 42.24 H new ATOM 0 HB2 LEU A 11 -2.559 14.792 -12.880 1.00 62.20 H new ATOM 0 HB3 LEU A 11 -3.394 14.522 -11.363 1.00 62.20 H new ATOM 0 HG LEU A 11 -3.377 17.315 -12.403 1.00 73.30 H new ATOM 0 HD11 LEU A 11 -5.260 16.845 -13.918 1.00 12.55 H new ATOM 0 HD12 LEU A 11 -3.769 16.027 -14.443 1.00 12.55 H new ATOM 0 HD13 LEU A 11 -5.052 15.101 -13.628 1.00 12.55 H new ATOM 0 HD21 LEU A 11 -5.680 17.260 -11.521 1.00 13.00 H new ATOM 0 HD22 LEU A 11 -5.487 15.532 -11.139 1.00 13.00 H new ATOM 0 HD23 LEU A 11 -4.494 16.746 -10.298 1.00 13.00 H new ATOM 194 N PHE A 12 -0.976 13.439 -10.894 1.00 0.33 N ATOM 195 CA PHE A 12 -0.484 12.281 -10.158 1.00 32.22 C ATOM 196 C PHE A 12 0.984 12.459 -9.782 1.00 2.22 C ATOM 197 O PHE A 12 1.528 11.702 -8.980 1.00 33.14 O ATOM 198 CB PHE A 12 -0.658 11.009 -10.991 1.00 21.43 C ATOM 199 CG PHE A 12 -0.190 9.765 -10.290 1.00 0.24 C ATOM 200 CD1 PHE A 12 1.057 9.228 -10.563 1.00 10.53 C ATOM 201 CD2 PHE A 12 -0.998 9.134 -9.358 1.00 12.04 C ATOM 202 CE1 PHE A 12 1.491 8.083 -9.920 1.00 3.32 C ATOM 203 CE2 PHE A 12 -0.570 7.990 -8.711 1.00 70.03 C ATOM 204 CZ PHE A 12 0.675 7.463 -8.994 1.00 70.23 C ATOM 0 H PHE A 12 -1.188 13.256 -11.875 1.00 0.33 H new ATOM 0 HA PHE A 12 -1.067 12.190 -9.242 1.00 32.22 H new ATOM 0 HB2 PHE A 12 -1.710 10.896 -11.251 1.00 21.43 H new ATOM 0 HB3 PHE A 12 -0.108 11.118 -11.926 1.00 21.43 H new ATOM 0 HD1 PHE A 12 1.698 9.709 -11.287 1.00 10.53 H new ATOM 0 HD2 PHE A 12 -1.973 9.541 -9.135 1.00 12.04 H new ATOM 0 HE1 PHE A 12 2.466 7.675 -10.141 1.00 3.32 H new ATOM 0 HE2 PHE A 12 -1.208 7.509 -7.985 1.00 70.03 H new ATOM 0 HZ PHE A 12 1.010 6.567 -8.492 1.00 70.23 H new ATOM 214 N GLY A 13 1.620 13.468 -10.370 1.00 62.44 N ATOM 215 CA GLY A 13 3.019 13.729 -10.085 1.00 73.13 C ATOM 216 C GLY A 13 3.217 14.962 -9.227 1.00 70.21 C ATOM 217 O GLY A 13 3.272 14.872 -8.000 1.00 25.22 O ATOM 0 H GLY A 13 1.192 14.109 -11.038 1.00 62.44 H new ATOM 0 HA2 GLY A 13 3.450 12.865 -9.579 1.00 73.13 H new ATOM 0 HA3 GLY A 13 3.560 13.852 -11.023 1.00 73.13 H new ATOM 221 N LYS A 14 3.326 16.119 -9.871 1.00 1.42 N ATOM 222 CA LYS A 14 3.519 17.377 -9.159 1.00 2.41 C ATOM 223 C LYS A 14 2.463 17.555 -8.073 1.00 0.13 C ATOM 224 O LYS A 14 2.784 17.868 -6.928 1.00 72.43 O ATOM 225 CB LYS A 14 3.463 18.553 -10.137 1.00 44.32 C ATOM 226 CG LYS A 14 4.378 18.389 -11.338 1.00 44.45 C ATOM 227 CD LYS A 14 4.446 19.662 -12.166 1.00 34.42 C ATOM 228 CE LYS A 14 5.884 20.093 -12.408 1.00 45.13 C ATOM 229 NZ LYS A 14 6.385 19.635 -13.734 1.00 35.45 N ATOM 0 H LYS A 14 3.284 16.212 -10.886 1.00 1.42 H new ATOM 0 HA LYS A 14 4.501 17.351 -8.686 1.00 2.41 H new ATOM 0 HB2 LYS A 14 2.438 18.676 -10.486 1.00 44.32 H new ATOM 0 HB3 LYS A 14 3.732 19.468 -9.608 1.00 44.32 H new ATOM 0 HG2 LYS A 14 5.379 18.120 -11.000 1.00 44.45 H new ATOM 0 HG3 LYS A 14 4.020 17.568 -11.960 1.00 44.45 H new ATOM 0 HD2 LYS A 14 3.947 19.503 -13.122 1.00 34.42 H new ATOM 0 HD3 LYS A 14 3.907 20.459 -11.654 1.00 34.42 H new ATOM 0 HE2 LYS A 14 5.952 21.179 -12.349 1.00 45.13 H new ATOM 0 HE3 LYS A 14 6.521 19.691 -11.620 1.00 45.13 H new ATOM 0 HZ1 LYS A 14 7.368 19.949 -13.861 1.00 35.45 H new ATOM 0 HZ2 LYS A 14 6.344 18.597 -13.781 1.00 35.45 H new ATOM 0 HZ3 LYS A 14 5.793 20.039 -14.487 1.00 35.45 H new ATOM 243 N GLY A 15 1.202 17.352 -8.441 1.00 11.35 N ATOM 244 CA GLY A 15 0.119 17.494 -7.486 1.00 2.01 C ATOM 245 C GLY A 15 -0.010 16.290 -6.572 1.00 44.21 C ATOM 246 O GLY A 15 -1.046 15.628 -6.550 1.00 13.52 O ATOM 0 H GLY A 15 0.911 17.092 -9.383 1.00 11.35 H new ATOM 0 HA2 GLY A 15 0.284 18.387 -6.884 1.00 2.01 H new ATOM 0 HA3 GLY A 15 -0.818 17.641 -8.023 1.00 2.01 H new ATOM 250 N GLY A 16 1.047 16.007 -5.818 1.00 73.43 N ATOM 251 CA GLY A 16 1.028 14.874 -4.910 1.00 65.31 C ATOM 252 C GLY A 16 0.446 15.226 -3.556 1.00 64.23 C ATOM 253 O GLY A 16 1.019 16.023 -2.814 1.00 44.13 O ATOM 0 H GLY A 16 1.916 16.541 -5.819 1.00 73.43 H new ATOM 0 HA2 GLY A 16 0.445 14.067 -5.354 1.00 65.31 H new ATOM 0 HA3 GLY A 16 2.043 14.500 -4.779 1.00 65.31 H new TER 257 GLY A 16 ATOM 258 N LYS B 1 -9.466 11.196 -10.913 1.00 35.13 N ATOM 259 CA LYS B 1 -8.344 11.042 -11.829 1.00 50.44 C ATOM 260 C LYS B 1 -7.878 9.591 -11.881 1.00 40.35 C ATOM 261 O LYS B 1 -8.138 8.879 -12.852 1.00 31.43 O ATOM 262 CB LYS B 1 -7.185 11.946 -11.406 1.00 60.34 C ATOM 263 CG LYS B 1 -7.523 13.426 -11.442 1.00 3.11 C ATOM 264 CD LYS B 1 -8.190 13.878 -10.154 1.00 21.44 C ATOM 265 CE LYS B 1 -7.602 15.188 -9.650 1.00 1.31 C ATOM 266 NZ LYS B 1 -8.541 15.905 -8.744 1.00 51.11 N ATOM 0 H1 LYS B 1 -9.967 12.083 -11.123 1.00 35.13 H new ATOM 0 H2 LYS B 1 -10.119 10.394 -11.026 1.00 35.13 H new ATOM 0 H3 LYS B 1 -9.114 11.221 -9.935 1.00 35.13 H new ATOM 0 HA LYS B 1 -8.679 11.333 -12.825 1.00 50.44 H new ATOM 0 HB2 LYS B 1 -6.876 11.677 -10.396 1.00 60.34 H new ATOM 0 HB3 LYS B 1 -6.333 11.761 -12.060 1.00 60.34 H new ATOM 0 HG2 LYS B 1 -6.613 14.004 -11.604 1.00 3.11 H new ATOM 0 HG3 LYS B 1 -8.183 13.629 -12.285 1.00 3.11 H new ATOM 0 HD2 LYS B 1 -9.260 13.999 -10.321 1.00 21.44 H new ATOM 0 HD3 LYS B 1 -8.071 13.108 -9.392 1.00 21.44 H new ATOM 0 HE2 LYS B 1 -6.669 14.988 -9.122 1.00 1.31 H new ATOM 0 HE3 LYS B 1 -7.357 15.827 -10.499 1.00 1.31 H new ATOM 0 HZ1 LYS B 1 -8.104 16.792 -8.422 1.00 51.11 H new ATOM 0 HZ2 LYS B 1 -9.421 16.118 -9.255 1.00 51.11 H new ATOM 0 HZ3 LYS B 1 -8.755 15.306 -7.921 1.00 51.11 H new ATOM 280 N TYR B 2 -7.189 9.158 -10.831 1.00 52.40 N ATOM 281 CA TYR B 2 -6.686 7.790 -10.757 1.00 25.24 C ATOM 282 C TYR B 2 -7.377 7.016 -9.640 1.00 61.22 C ATOM 283 O TYR B 2 -6.837 6.040 -9.121 1.00 50.34 O ATOM 284 CB TYR B 2 -5.173 7.793 -10.532 1.00 24.04 C ATOM 285 CG TYR B 2 -4.695 8.921 -9.646 1.00 74.22 C ATOM 286 CD1 TYR B 2 -4.393 10.168 -10.178 1.00 63.43 C ATOM 287 CD2 TYR B 2 -4.544 8.739 -8.276 1.00 0.32 C ATOM 288 CE1 TYR B 2 -3.955 11.202 -9.372 1.00 51.11 C ATOM 289 CE2 TYR B 2 -4.108 9.766 -7.463 1.00 24.51 C ATOM 290 CZ TYR B 2 -3.815 10.997 -8.016 1.00 53.02 C ATOM 291 OH TYR B 2 -3.379 12.023 -7.209 1.00 14.14 O ATOM 0 H TYR B 2 -6.966 9.734 -10.019 1.00 52.40 H new ATOM 0 HA TYR B 2 -6.904 7.297 -11.704 1.00 25.24 H new ATOM 0 HB2 TYR B 2 -4.878 6.843 -10.087 1.00 24.04 H new ATOM 0 HB3 TYR B 2 -4.671 7.862 -11.497 1.00 24.04 H new ATOM 0 HD1 TYR B 2 -4.502 10.333 -11.240 1.00 63.43 H new ATOM 0 HD2 TYR B 2 -4.772 7.777 -7.840 1.00 0.32 H new ATOM 0 HE1 TYR B 2 -3.724 12.165 -9.802 1.00 51.11 H new ATOM 0 HE2 TYR B 2 -3.997 9.608 -6.400 1.00 24.51 H new ATOM 0 HH TYR B 2 -3.336 11.713 -6.280 1.00 14.14 H new ATOM 301 N GLU B 3 -8.576 7.459 -9.275 1.00 35.40 N ATOM 302 CA GLU B 3 -9.342 6.807 -8.218 1.00 72.03 C ATOM 303 C GLU B 3 -9.798 5.418 -8.655 1.00 0.12 C ATOM 304 O GLU B 3 -10.260 4.620 -7.839 1.00 52.45 O ATOM 305 CB GLU B 3 -10.555 7.658 -7.838 1.00 64.54 C ATOM 306 CG GLU B 3 -10.380 8.418 -6.533 1.00 61.10 C ATOM 307 CD GLU B 3 -10.995 7.697 -5.350 1.00 12.43 C ATOM 308 OE1 GLU B 3 -12.240 7.626 -5.281 1.00 64.22 O ATOM 309 OE2 GLU B 3 -10.232 7.201 -4.494 1.00 41.32 O ATOM 0 H GLU B 3 -9.038 8.266 -9.695 1.00 35.40 H new ATOM 0 HA GLU B 3 -8.695 6.701 -7.347 1.00 72.03 H new ATOM 0 HB2 GLU B 3 -10.755 8.370 -8.639 1.00 64.54 H new ATOM 0 HB3 GLU B 3 -11.430 7.013 -7.759 1.00 64.54 H new ATOM 0 HG2 GLU B 3 -9.317 8.572 -6.347 1.00 61.10 H new ATOM 0 HG3 GLU B 3 -10.834 9.405 -6.628 1.00 61.10 H new ATOM 316 N ILE B 4 -9.667 5.138 -9.948 1.00 71.31 N ATOM 317 CA ILE B 4 -10.066 3.846 -10.493 1.00 63.40 C ATOM 318 C ILE B 4 -8.862 3.083 -11.034 1.00 63.22 C ATOM 319 O ILE B 4 -8.937 1.880 -11.288 1.00 45.23 O ATOM 320 CB ILE B 4 -11.105 4.007 -11.618 1.00 34.13 C ATOM 321 CG1 ILE B 4 -12.249 4.914 -11.159 1.00 75.22 C ATOM 322 CG2 ILE B 4 -11.639 2.647 -12.043 1.00 33.45 C ATOM 323 CD1 ILE B 4 -12.186 6.307 -11.743 1.00 4.10 C ATOM 0 H ILE B 4 -9.288 5.788 -10.637 1.00 71.31 H new ATOM 0 HA ILE B 4 -10.513 3.282 -9.674 1.00 63.40 H new ATOM 0 HB ILE B 4 -10.620 4.471 -12.477 1.00 34.13 H new ATOM 0 HG12 ILE B 4 -13.199 4.456 -11.435 1.00 75.22 H new ATOM 0 HG13 ILE B 4 -12.233 4.984 -10.071 1.00 75.22 H new ATOM 0 HG21 ILE B 4 -12.372 2.777 -12.839 1.00 33.45 H new ATOM 0 HG22 ILE B 4 -10.816 2.030 -12.405 1.00 33.45 H new ATOM 0 HG23 ILE B 4 -12.111 2.159 -11.190 1.00 33.45 H new ATOM 0 HD11 ILE B 4 -13.027 6.894 -11.375 1.00 4.10 H new ATOM 0 HD12 ILE B 4 -11.252 6.784 -11.446 1.00 4.10 H new ATOM 0 HD13 ILE B 4 -12.233 6.248 -12.830 1.00 4.10 H new ATOM 335 N THR B 5 -7.749 3.790 -11.208 1.00 62.14 N ATOM 336 CA THR B 5 -6.528 3.180 -11.718 1.00 13.11 C ATOM 337 C THR B 5 -5.478 3.050 -10.620 1.00 40.35 C ATOM 338 O THR B 5 -4.375 2.556 -10.857 1.00 12.13 O ATOM 339 CB THR B 5 -5.937 3.996 -12.884 1.00 62.13 C ATOM 340 OG1 THR B 5 -6.368 5.359 -12.796 1.00 72.23 O ATOM 341 CG2 THR B 5 -6.360 3.411 -14.223 1.00 35.42 C ATOM 0 H THR B 5 -7.669 4.786 -11.003 1.00 62.14 H new ATOM 0 HA THR B 5 -6.797 2.187 -12.079 1.00 13.11 H new ATOM 0 HB THR B 5 -4.850 3.954 -12.814 1.00 62.13 H new ATOM 0 HG1 THR B 5 -5.987 5.871 -13.539 1.00 72.23 H new ATOM 0 HG21 THR B 5 -5.931 4.004 -15.031 1.00 35.42 H new ATOM 0 HG22 THR B 5 -6.006 2.383 -14.299 1.00 35.42 H new ATOM 0 HG23 THR B 5 -7.447 3.427 -14.300 1.00 35.42 H new ATOM 349 N THR B 6 -5.827 3.496 -9.418 1.00 10.04 N ATOM 350 CA THR B 6 -4.914 3.430 -8.284 1.00 21.34 C ATOM 351 C THR B 6 -5.492 2.573 -7.163 1.00 61.00 C ATOM 352 O THR B 6 -4.753 1.920 -6.425 1.00 54.12 O ATOM 353 CB THR B 6 -4.601 4.834 -7.732 1.00 14.03 C ATOM 354 OG1 THR B 6 -3.268 4.868 -7.210 1.00 44.32 O ATOM 355 CG2 THR B 6 -5.588 5.219 -6.641 1.00 65.31 C ATOM 0 H THR B 6 -6.736 3.907 -9.204 1.00 10.04 H new ATOM 0 HA THR B 6 -3.992 2.976 -8.646 1.00 21.34 H new ATOM 0 HB THR B 6 -4.690 5.550 -8.549 1.00 14.03 H new ATOM 0 HG1 THR B 6 -2.663 4.404 -7.826 1.00 44.32 H new ATOM 0 HG21 THR B 6 -5.347 6.214 -6.267 1.00 65.31 H new ATOM 0 HG22 THR B 6 -6.599 5.220 -7.049 1.00 65.31 H new ATOM 0 HG23 THR B 6 -5.527 4.500 -5.824 1.00 65.31 H new ATOM 363 N ILE B 7 -6.815 2.581 -7.041 1.00 34.43 N ATOM 364 CA ILE B 7 -7.490 1.802 -6.010 1.00 34.24 C ATOM 365 C ILE B 7 -7.214 0.311 -6.177 1.00 23.42 C ATOM 366 O ILE B 7 -7.015 -0.407 -5.197 1.00 54.42 O ATOM 367 CB ILE B 7 -9.012 2.036 -6.035 1.00 2.01 C ATOM 368 CG1 ILE B 7 -9.712 1.093 -5.053 1.00 44.50 C ATOM 369 CG2 ILE B 7 -9.556 1.841 -7.443 1.00 42.22 C ATOM 370 CD1 ILE B 7 -10.211 -0.183 -5.693 1.00 5.14 C ATOM 0 H ILE B 7 -7.440 3.118 -7.642 1.00 34.43 H new ATOM 0 HA ILE B 7 -7.094 2.137 -5.051 1.00 34.24 H new ATOM 0 HB ILE B 7 -9.211 3.063 -5.729 1.00 2.01 H new ATOM 0 HG12 ILE B 7 -9.021 0.840 -4.249 1.00 44.50 H new ATOM 0 HG13 ILE B 7 -10.554 1.615 -4.598 1.00 44.50 H new ATOM 0 HG21 ILE B 7 -10.633 2.010 -7.444 1.00 42.22 H new ATOM 0 HG22 ILE B 7 -9.077 2.549 -8.119 1.00 42.22 H new ATOM 0 HG23 ILE B 7 -9.348 0.824 -7.776 1.00 42.22 H new ATOM 0 HD11 ILE B 7 -10.696 -0.803 -4.939 1.00 5.14 H new ATOM 0 HD12 ILE B 7 -10.927 0.060 -6.478 1.00 5.14 H new ATOM 0 HD13 ILE B 7 -9.370 -0.727 -6.124 1.00 5.14 H new ATOM 382 N HIS B 8 -7.200 -0.147 -7.424 1.00 5.02 N ATOM 383 CA HIS B 8 -6.945 -1.552 -7.721 1.00 22.24 C ATOM 384 C HIS B 8 -5.460 -1.873 -7.590 1.00 43.23 C ATOM 385 O HIS B 8 -5.072 -3.037 -7.498 1.00 33.53 O ATOM 386 CB HIS B 8 -7.432 -1.894 -9.130 1.00 75.34 C ATOM 387 CG HIS B 8 -8.407 -3.030 -9.166 1.00 25.24 C ATOM 388 ND1 HIS B 8 -9.679 -2.946 -8.640 1.00 14.40 N ATOM 389 CD2 HIS B 8 -8.292 -4.280 -9.673 1.00 32.34 C ATOM 390 CE1 HIS B 8 -10.304 -4.097 -8.820 1.00 73.11 C ATOM 391 NE2 HIS B 8 -9.484 -4.923 -9.444 1.00 64.20 N ATOM 0 H HIS B 8 -7.362 0.435 -8.246 1.00 5.02 H new ATOM 0 HA HIS B 8 -7.494 -2.157 -6.999 1.00 22.24 H new ATOM 0 HB2 HIS B 8 -7.898 -1.012 -9.569 1.00 75.34 H new ATOM 0 HB3 HIS B 8 -6.573 -2.143 -9.752 1.00 75.34 H new ATOM 0 HD2 HIS B 8 -7.425 -4.694 -10.166 1.00 32.34 H new ATOM 0 HE1 HIS B 8 -11.313 -4.323 -8.510 1.00 73.11 H new ATOM 0 HE2 HIS B 8 -9.701 -5.883 -9.712 1.00 64.20 H new ATOM 399 N ASN B 9 -4.632 -0.833 -7.585 1.00 42.52 N ATOM 400 CA ASN B 9 -3.188 -1.005 -7.468 1.00 32.24 C ATOM 401 C ASN B 9 -2.824 -1.641 -6.129 1.00 10.30 C ATOM 402 O ASN B 9 -1.713 -2.141 -5.950 1.00 73.11 O ATOM 403 CB ASN B 9 -2.480 0.343 -7.614 1.00 54.30 C ATOM 404 CG ASN B 9 -1.792 0.777 -6.335 1.00 33.45 C ATOM 405 OD1 ASN B 9 -0.544 0.356 -6.161 1.00 52.43 O flip ATOM 406 ND2 ASN B 9 -2.377 1.482 -5.511 1.00 25.34 N flip ATOM 0 H ASN B 9 -4.936 0.138 -7.661 1.00 42.52 H new ATOM 0 HA ASN B 9 -2.859 -1.669 -8.268 1.00 32.24 H new ATOM 0 HB2 ASN B 9 -1.744 0.279 -8.415 1.00 54.30 H new ATOM 0 HB3 ASN B 9 -3.206 1.101 -7.908 1.00 54.30 H new ATOM 0 HD21 ASN B 9 -3.336 1.782 -5.686 1.00 25.34 H new ATOM 0 HD22 ASN B 9 -1.902 1.765 -4.654 1.00 25.34 H new ATOM 413 N LEU B 10 -3.767 -1.619 -5.194 1.00 61.04 N ATOM 414 CA LEU B 10 -3.546 -2.194 -3.872 1.00 30.11 C ATOM 415 C LEU B 10 -3.239 -3.685 -3.971 1.00 64.33 C ATOM 416 O LEU B 10 -2.699 -4.282 -3.038 1.00 44.11 O ATOM 417 CB LEU B 10 -4.773 -1.972 -2.986 1.00 10.12 C ATOM 418 CG LEU B 10 -5.921 -2.966 -3.168 1.00 53.42 C ATOM 419 CD1 LEU B 10 -5.785 -4.124 -2.191 1.00 11.53 C ATOM 420 CD2 LEU B 10 -7.262 -2.270 -2.990 1.00 53.32 C ATOM 0 H LEU B 10 -4.692 -1.209 -5.327 1.00 61.04 H new ATOM 0 HA LEU B 10 -2.687 -1.694 -3.424 1.00 30.11 H new ATOM 0 HB2 LEU B 10 -4.454 -2.003 -1.944 1.00 10.12 H new ATOM 0 HB3 LEU B 10 -5.155 -0.968 -3.173 1.00 10.12 H new ATOM 0 HG LEU B 10 -5.873 -3.365 -4.181 1.00 53.42 H new ATOM 0 HD11 LEU B 10 -6.611 -4.821 -2.335 1.00 11.53 H new ATOM 0 HD12 LEU B 10 -4.841 -4.639 -2.366 1.00 11.53 H new ATOM 0 HD13 LEU B 10 -5.806 -3.743 -1.170 1.00 11.53 H new ATOM 0 HD21 LEU B 10 -8.067 -2.992 -3.123 1.00 53.32 H new ATOM 0 HD22 LEU B 10 -7.320 -1.842 -1.989 1.00 53.32 H new ATOM 0 HD23 LEU B 10 -7.361 -1.476 -3.730 1.00 53.32 H new ATOM 432 N PHE B 11 -3.584 -4.281 -5.107 1.00 32.12 N ATOM 433 CA PHE B 11 -3.345 -5.702 -5.329 1.00 71.13 C ATOM 434 C PHE B 11 -1.863 -5.971 -5.579 1.00 11.12 C ATOM 435 O PHE B 11 -1.451 -6.228 -6.710 1.00 73.53 O ATOM 436 CB PHE B 11 -4.173 -6.201 -6.515 1.00 55.13 C ATOM 437 CG PHE B 11 -5.354 -7.036 -6.111 1.00 2.34 C ATOM 438 CD1 PHE B 11 -6.084 -6.724 -4.975 1.00 4.31 C ATOM 439 CD2 PHE B 11 -5.734 -8.133 -6.867 1.00 20.04 C ATOM 440 CE1 PHE B 11 -7.173 -7.490 -4.602 1.00 52.02 C ATOM 441 CE2 PHE B 11 -6.822 -8.902 -6.499 1.00 31.21 C ATOM 442 CZ PHE B 11 -7.542 -8.581 -5.364 1.00 70.24 C ATOM 0 H PHE B 11 -4.030 -3.802 -5.889 1.00 32.12 H new ATOM 0 HA PHE B 11 -3.648 -6.241 -4.431 1.00 71.13 H new ATOM 0 HB2 PHE B 11 -4.524 -5.344 -7.090 1.00 55.13 H new ATOM 0 HB3 PHE B 11 -3.532 -6.787 -7.175 1.00 55.13 H new ATOM 0 HD1 PHE B 11 -5.799 -5.873 -4.374 1.00 4.31 H new ATOM 0 HD2 PHE B 11 -5.174 -8.390 -7.754 1.00 20.04 H new ATOM 0 HE1 PHE B 11 -7.735 -7.235 -3.715 1.00 52.02 H new ATOM 0 HE2 PHE B 11 -7.109 -9.753 -7.098 1.00 31.21 H new ATOM 0 HZ PHE B 11 -8.391 -9.182 -5.074 1.00 70.24 H new ATOM 452 N ARG B 12 -1.070 -5.910 -4.515 1.00 54.04 N ATOM 453 CA ARG B 12 0.366 -6.144 -4.618 1.00 53.51 C ATOM 454 C ARG B 12 0.651 -7.466 -5.327 1.00 62.00 C ATOM 455 O ARG B 12 1.665 -7.609 -6.010 1.00 55.13 O ATOM 456 CB ARG B 12 1.004 -6.152 -3.228 1.00 35.42 C ATOM 457 CG ARG B 12 0.744 -4.884 -2.431 1.00 0.22 C ATOM 458 CD ARG B 12 0.049 -5.188 -1.114 1.00 20.41 C ATOM 459 NE ARG B 12 -0.753 -4.060 -0.646 1.00 32.43 N ATOM 460 CZ ARG B 12 -0.235 -2.969 -0.093 1.00 50.13 C ATOM 461 NH1 ARG B 12 1.078 -2.858 0.060 1.00 34.15 N ATOM 462 NH2 ARG B 12 -1.030 -1.985 0.308 1.00 30.32 N ATOM 0 H ARG B 12 -1.397 -5.701 -3.572 1.00 54.04 H new ATOM 0 HA ARG B 12 0.800 -5.334 -5.205 1.00 53.51 H new ATOM 0 HB2 ARG B 12 0.625 -7.007 -2.668 1.00 35.42 H new ATOM 0 HB3 ARG B 12 2.080 -6.291 -3.332 1.00 35.42 H new ATOM 0 HG2 ARG B 12 1.688 -4.375 -2.237 1.00 0.22 H new ATOM 0 HG3 ARG B 12 0.130 -4.203 -3.019 1.00 0.22 H new ATOM 0 HD2 ARG B 12 -0.591 -6.062 -1.235 1.00 20.41 H new ATOM 0 HD3 ARG B 12 0.795 -5.440 -0.360 1.00 20.41 H new ATOM 0 HE ARG B 12 -1.766 -4.113 -0.750 1.00 32.43 H new ATOM 0 HH11 ARG B 12 1.693 -3.612 -0.247 1.00 34.15 H new ATOM 0 HH12 ARG B 12 1.473 -2.019 0.485 1.00 34.15 H new ATOM 0 HH21 ARG B 12 -2.040 -2.066 0.192 1.00 30.32 H new ATOM 0 HH22 ARG B 12 -0.631 -1.148 0.733 1.00 30.32 H new ATOM 476 N LYS B 13 -0.251 -8.428 -5.160 1.00 63.00 N ATOM 477 CA LYS B 13 -0.098 -9.736 -5.785 1.00 33.11 C ATOM 478 C LYS B 13 -0.199 -9.630 -7.303 1.00 20.34 C ATOM 479 O LYS B 13 0.449 -10.382 -8.032 1.00 63.22 O ATOM 480 CB LYS B 13 -1.162 -10.702 -5.258 1.00 60.00 C ATOM 481 CG LYS B 13 -0.702 -11.522 -4.065 1.00 51.34 C ATOM 482 CD LYS B 13 -1.758 -12.528 -3.640 1.00 72.30 C ATOM 483 CE LYS B 13 -2.996 -11.837 -3.090 1.00 60.11 C ATOM 484 NZ LYS B 13 -3.329 -12.305 -1.715 1.00 41.03 N ATOM 0 H LYS B 13 -1.095 -8.326 -4.597 1.00 63.00 H new ATOM 0 HA LYS B 13 0.890 -10.119 -5.531 1.00 33.11 H new ATOM 0 HB2 LYS B 13 -2.049 -10.134 -4.978 1.00 60.00 H new ATOM 0 HB3 LYS B 13 -1.457 -11.378 -6.061 1.00 60.00 H new ATOM 0 HG2 LYS B 13 0.220 -12.046 -4.316 1.00 51.34 H new ATOM 0 HG3 LYS B 13 -0.475 -10.858 -3.231 1.00 51.34 H new ATOM 0 HD2 LYS B 13 -2.035 -13.149 -4.492 1.00 72.30 H new ATOM 0 HD3 LYS B 13 -1.344 -13.193 -2.882 1.00 72.30 H new ATOM 0 HE2 LYS B 13 -2.835 -10.759 -3.077 1.00 60.11 H new ATOM 0 HE3 LYS B 13 -3.841 -12.025 -3.752 1.00 60.11 H new ATOM 0 HZ1 LYS B 13 -4.179 -11.810 -1.376 1.00 41.03 H new ATOM 0 HZ2 LYS B 13 -3.508 -13.329 -1.731 1.00 41.03 H new ATOM 0 HZ3 LYS B 13 -2.533 -12.103 -1.077 1.00 41.03 H new ATOM 498 N LEU B 14 -1.015 -8.693 -7.773 1.00 34.40 N ATOM 499 CA LEU B 14 -1.200 -8.488 -9.205 1.00 31.31 C ATOM 500 C LEU B 14 0.143 -8.345 -9.912 1.00 52.24 C ATOM 501 O LEU B 14 0.927 -7.444 -9.607 1.00 13.11 O ATOM 502 CB LEU B 14 -2.056 -7.244 -9.456 1.00 75.23 C ATOM 503 CG LEU B 14 -2.312 -6.891 -10.921 1.00 2.32 C ATOM 504 CD1 LEU B 14 -2.813 -8.108 -11.685 1.00 71.45 C ATOM 505 CD2 LEU B 14 -3.309 -5.746 -11.027 1.00 74.11 C ATOM 0 H LEU B 14 -1.559 -8.063 -7.183 1.00 34.40 H new ATOM 0 HA LEU B 14 -1.712 -9.362 -9.609 1.00 31.31 H new ATOM 0 HB2 LEU B 14 -3.018 -7.384 -8.963 1.00 75.23 H new ATOM 0 HB3 LEU B 14 -1.573 -6.392 -8.977 1.00 75.23 H new ATOM 0 HG LEU B 14 -1.370 -6.570 -11.367 1.00 2.32 H new ATOM 0 HD11 LEU B 14 -2.990 -7.837 -12.726 1.00 71.45 H new ATOM 0 HD12 LEU B 14 -2.066 -8.900 -11.638 1.00 71.45 H new ATOM 0 HD13 LEU B 14 -3.743 -8.460 -11.239 1.00 71.45 H new ATOM 0 HD21 LEU B 14 -3.479 -5.508 -12.077 1.00 74.11 H new ATOM 0 HD22 LEU B 14 -4.251 -6.040 -10.564 1.00 74.11 H new ATOM 0 HD23 LEU B 14 -2.912 -4.869 -10.516 1.00 74.11 H new ATOM 517 N THR B 15 0.405 -9.238 -10.863 1.00 31.34 N ATOM 518 CA THR B 15 1.653 -9.211 -11.614 1.00 45.41 C ATOM 519 C THR B 15 1.933 -7.818 -12.165 1.00 21.32 C ATOM 520 O THR B 15 3.087 -7.402 -12.272 1.00 60.34 O ATOM 521 CB THR B 15 1.627 -10.216 -12.782 1.00 73.03 C ATOM 522 OG1 THR B 15 2.951 -10.406 -13.294 1.00 25.54 O ATOM 523 CG2 THR B 15 0.711 -9.729 -13.895 1.00 55.04 C ATOM 0 H THR B 15 -0.232 -9.989 -11.130 1.00 31.34 H new ATOM 0 HA THR B 15 2.446 -9.491 -10.920 1.00 45.41 H new ATOM 0 HB THR B 15 1.243 -11.165 -12.408 1.00 73.03 H new ATOM 0 HG1 THR B 15 2.926 -11.047 -14.035 1.00 25.54 H new ATOM 0 HG21 THR B 15 0.709 -10.455 -14.708 1.00 55.04 H new ATOM 0 HG22 THR B 15 -0.302 -9.614 -13.509 1.00 55.04 H new ATOM 0 HG23 THR B 15 1.069 -8.769 -14.267 1.00 55.04 H new ATOM 531 N HIS B 16 0.870 -7.099 -12.513 1.00 60.04 N ATOM 532 CA HIS B 16 1.003 -5.750 -13.052 1.00 75.45 C ATOM 533 C HIS B 16 1.692 -4.829 -12.048 1.00 41.24 C ATOM 534 O HIS B 16 1.062 -4.329 -11.117 1.00 54.23 O ATOM 535 CB HIS B 16 -0.370 -5.187 -13.418 1.00 0.13 C ATOM 536 CG HIS B 16 -1.244 -6.164 -14.143 1.00 42.11 C ATOM 537 ND1 HIS B 16 -2.620 -6.139 -14.072 1.00 13.53 N ATOM 538 CD2 HIS B 16 -0.929 -7.197 -14.960 1.00 72.32 C ATOM 539 CE1 HIS B 16 -3.115 -7.115 -14.812 1.00 55.54 C ATOM 540 NE2 HIS B 16 -2.109 -7.772 -15.361 1.00 52.42 N ATOM 0 H HIS B 16 -0.092 -7.428 -12.431 1.00 60.04 H new ATOM 0 HA HIS B 16 1.617 -5.803 -13.951 1.00 75.45 H new ATOM 0 HB2 HIS B 16 -0.876 -4.865 -12.508 1.00 0.13 H new ATOM 0 HB3 HIS B 16 -0.237 -4.301 -14.039 1.00 0.13 H new ATOM 0 HD2 HIS B 16 0.065 -7.510 -15.243 1.00 72.32 H new ATOM 0 HE1 HIS B 16 -4.163 -7.338 -14.945 1.00 55.54 H new ATOM 0 HE2 HIS B 16 -2.195 -8.576 -15.982 1.00 52.42 H new ATOM 548 N ARG B 17 2.988 -4.612 -12.246 1.00 32.04 N ATOM 549 CA ARG B 17 3.762 -3.753 -11.357 1.00 54.41 C ATOM 550 C ARG B 17 4.161 -2.461 -12.062 1.00 63.12 C ATOM 551 O ARG B 17 4.861 -1.621 -11.493 1.00 45.41 O ATOM 552 CB ARG B 17 5.013 -4.486 -10.867 1.00 1.33 C ATOM 553 CG ARG B 17 5.779 -5.191 -11.975 1.00 33.30 C ATOM 554 CD ARG B 17 7.000 -5.918 -11.433 1.00 71.30 C ATOM 555 NE ARG B 17 8.216 -5.122 -11.568 1.00 65.11 N ATOM 556 CZ ARG B 17 9.322 -5.343 -10.866 1.00 21.24 C ATOM 557 NH1 ARG B 17 9.364 -6.331 -9.984 1.00 34.33 N ATOM 558 NH2 ARG B 17 10.388 -4.574 -11.046 1.00 51.52 N ATOM 0 H ARG B 17 3.524 -5.018 -13.013 1.00 32.04 H new ATOM 0 HA ARG B 17 3.137 -3.501 -10.500 1.00 54.41 H new ATOM 0 HB2 ARG B 17 5.674 -3.771 -10.378 1.00 1.33 H new ATOM 0 HB3 ARG B 17 4.723 -5.219 -10.114 1.00 1.33 H new ATOM 0 HG2 ARG B 17 5.123 -5.903 -12.476 1.00 33.30 H new ATOM 0 HG3 ARG B 17 6.090 -4.463 -12.724 1.00 33.30 H new ATOM 0 HD2 ARG B 17 6.841 -6.161 -10.382 1.00 71.30 H new ATOM 0 HD3 ARG B 17 7.124 -6.862 -11.963 1.00 71.30 H new ATOM 0 HE ARG B 17 8.217 -4.353 -12.239 1.00 65.11 H new ATOM 0 HH11 ARG B 17 8.546 -6.924 -9.843 1.00 34.33 H new ATOM 0 HH12 ARG B 17 10.214 -6.499 -9.446 1.00 34.33 H new ATOM 0 HH21 ARG B 17 10.359 -3.812 -11.724 1.00 51.52 H new ATOM 0 HH22 ARG B 17 11.237 -4.744 -10.507 1.00 51.52 H new ATOM 572 N LEU B 18 3.712 -2.306 -13.303 1.00 34.23 N ATOM 573 CA LEU B 18 4.022 -1.116 -14.086 1.00 64.02 C ATOM 574 C LEU B 18 3.640 0.151 -13.326 1.00 13.13 C ATOM 575 O LEU B 18 4.192 1.225 -13.569 1.00 54.34 O ATOM 576 CB LEU B 18 3.290 -1.159 -15.428 1.00 22.03 C ATOM 577 CG LEU B 18 1.839 -1.641 -15.386 1.00 62.14 C ATOM 578 CD1 LEU B 18 0.952 -0.735 -16.226 1.00 32.54 C ATOM 579 CD2 LEU B 18 1.741 -3.081 -15.867 1.00 45.20 C ATOM 0 H LEU B 18 3.132 -2.990 -13.788 1.00 34.23 H new ATOM 0 HA LEU B 18 5.097 -1.100 -14.266 1.00 64.02 H new ATOM 0 HB2 LEU B 18 3.307 -0.159 -15.861 1.00 22.03 H new ATOM 0 HB3 LEU B 18 3.848 -1.808 -16.103 1.00 22.03 H new ATOM 0 HG LEU B 18 1.492 -1.600 -14.354 1.00 62.14 H new ATOM 0 HD11 LEU B 18 -0.077 -1.093 -16.185 1.00 32.54 H new ATOM 0 HD12 LEU B 18 0.998 0.282 -15.837 1.00 32.54 H new ATOM 0 HD13 LEU B 18 1.298 -0.744 -17.260 1.00 32.54 H new ATOM 0 HD21 LEU B 18 0.702 -3.407 -15.830 1.00 45.20 H new ATOM 0 HD22 LEU B 18 2.106 -3.148 -16.892 1.00 45.20 H new ATOM 0 HD23 LEU B 18 2.345 -3.721 -15.224 1.00 45.20 H new ATOM 591 N PHE B 19 2.693 0.018 -12.403 1.00 50.40 N ATOM 592 CA PHE B 19 2.237 1.151 -11.607 1.00 1.15 C ATOM 593 C PHE B 19 3.285 1.543 -10.569 1.00 35.12 C ATOM 594 O PHE B 19 3.989 2.539 -10.728 1.00 72.35 O ATOM 595 CB PHE B 19 0.915 0.815 -10.913 1.00 64.05 C ATOM 596 CG PHE B 19 0.367 1.945 -10.089 1.00 62.51 C ATOM 597 CD1 PHE B 19 -0.082 3.108 -10.693 1.00 74.13 C ATOM 598 CD2 PHE B 19 0.303 1.845 -8.708 1.00 53.30 C ATOM 599 CE1 PHE B 19 -0.587 4.149 -9.937 1.00 54.43 C ATOM 600 CE2 PHE B 19 -0.202 2.882 -7.947 1.00 61.03 C ATOM 601 CZ PHE B 19 -0.646 4.036 -8.562 1.00 44.11 C ATOM 0 H PHE B 19 2.227 -0.863 -12.188 1.00 50.40 H new ATOM 0 HA PHE B 19 2.082 1.996 -12.278 1.00 1.15 H new ATOM 0 HB2 PHE B 19 0.179 0.535 -11.667 1.00 64.05 H new ATOM 0 HB3 PHE B 19 1.061 -0.054 -10.272 1.00 64.05 H new ATOM 0 HD1 PHE B 19 -0.037 3.202 -11.768 1.00 74.13 H new ATOM 0 HD2 PHE B 19 0.652 0.946 -8.221 1.00 53.30 H new ATOM 0 HE1 PHE B 19 -0.935 5.050 -10.421 1.00 54.43 H new ATOM 0 HE2 PHE B 19 -0.249 2.790 -6.872 1.00 61.03 H new ATOM 0 HZ PHE B 19 -1.039 4.849 -7.969 1.00 44.11 H new ATOM 611 N ARG B 20 3.379 0.750 -9.506 1.00 63.13 N ATOM 612 CA ARG B 20 4.339 1.014 -8.440 1.00 72.04 C ATOM 613 C ARG B 20 5.762 1.062 -8.990 1.00 23.43 C ATOM 614 O ARG B 20 6.658 1.633 -8.368 1.00 64.43 O ATOM 615 CB ARG B 20 4.237 -0.060 -7.355 1.00 2.24 C ATOM 616 CG ARG B 20 4.330 -1.479 -7.892 1.00 1.31 C ATOM 617 CD ARG B 20 4.561 -2.483 -6.774 1.00 41.44 C ATOM 618 NE ARG B 20 4.238 -3.846 -7.188 1.00 55.42 N ATOM 619 CZ ARG B 20 3.001 -4.329 -7.228 1.00 62.02 C ATOM 620 NH1 ARG B 20 1.976 -3.563 -6.882 1.00 43.40 N ATOM 621 NH2 ARG B 20 2.789 -5.581 -7.616 1.00 22.44 N ATOM 0 H ARG B 20 2.803 -0.079 -9.360 1.00 63.13 H new ATOM 0 HA ARG B 20 4.102 1.985 -8.004 1.00 72.04 H new ATOM 0 HB2 ARG B 20 5.032 0.096 -6.625 1.00 2.24 H new ATOM 0 HB3 ARG B 20 3.291 0.058 -6.826 1.00 2.24 H new ATOM 0 HG2 ARG B 20 3.412 -1.729 -8.423 1.00 1.31 H new ATOM 0 HG3 ARG B 20 5.144 -1.543 -8.614 1.00 1.31 H new ATOM 0 HD2 ARG B 20 5.602 -2.438 -6.456 1.00 41.44 H new ATOM 0 HD3 ARG B 20 3.952 -2.212 -5.912 1.00 41.44 H new ATOM 0 HE ARG B 20 5.004 -4.461 -7.461 1.00 55.42 H new ATOM 0 HH11 ARG B 20 2.136 -2.601 -6.584 1.00 43.40 H new ATOM 0 HH12 ARG B 20 1.027 -3.936 -6.913 1.00 43.40 H new ATOM 0 HH21 ARG B 20 3.576 -6.172 -7.883 1.00 22.44 H new ATOM 0 HH22 ARG B 20 1.839 -5.952 -7.647 1.00 22.44 H new ATOM 635 N ARG B 21 5.961 0.460 -10.156 1.00 50.33 N ATOM 636 CA ARG B 21 7.275 0.432 -10.789 1.00 23.45 C ATOM 637 C ARG B 21 7.910 1.820 -10.781 1.00 74.14 C ATOM 638 O ARG B 21 8.937 2.040 -10.139 1.00 31.14 O ATOM 639 CB ARG B 21 7.163 -0.080 -12.225 1.00 11.05 C ATOM 640 CG ARG B 21 7.648 -1.510 -12.401 1.00 55.03 C ATOM 641 CD ARG B 21 7.486 -1.980 -13.838 1.00 73.02 C ATOM 642 NE ARG B 21 8.532 -2.924 -14.226 1.00 64.13 N ATOM 643 CZ ARG B 21 8.437 -3.737 -15.271 1.00 13.04 C ATOM 644 NH1 ARG B 21 7.349 -3.725 -16.028 1.00 40.42 N ATOM 645 NH2 ARG B 21 9.432 -4.567 -15.560 1.00 13.25 N ATOM 0 H ARG B 21 5.229 -0.016 -10.683 1.00 50.33 H new ATOM 0 HA ARG B 21 7.911 -0.245 -10.219 1.00 23.45 H new ATOM 0 HB2 ARG B 21 6.123 -0.016 -12.545 1.00 11.05 H new ATOM 0 HB3 ARG B 21 7.739 0.573 -12.881 1.00 11.05 H new ATOM 0 HG2 ARG B 21 8.696 -1.578 -12.111 1.00 55.03 H new ATOM 0 HG3 ARG B 21 7.090 -2.169 -11.736 1.00 55.03 H new ATOM 0 HD2 ARG B 21 6.510 -2.451 -13.958 1.00 73.02 H new ATOM 0 HD3 ARG B 21 7.509 -1.119 -14.506 1.00 73.02 H new ATOM 0 HE ARG B 21 9.382 -2.960 -13.663 1.00 64.13 H new ATOM 0 HH11 ARG B 21 6.582 -3.090 -15.808 1.00 40.42 H new ATOM 0 HH12 ARG B 21 7.279 -4.351 -16.830 1.00 40.42 H new ATOM 0 HH21 ARG B 21 10.270 -4.580 -14.979 1.00 13.25 H new ATOM 0 HH22 ARG B 21 9.358 -5.191 -16.363 1.00 13.25 H new ATOM 659 N ASN B 22 7.292 2.752 -11.499 1.00 51.24 N ATOM 660 CA ASN B 22 7.798 4.118 -11.576 1.00 71.35 C ATOM 661 C ASN B 22 6.761 5.111 -11.062 1.00 5.31 C ATOM 662 O ASN B 22 7.106 6.172 -10.540 1.00 41.23 O ATOM 663 CB ASN B 22 8.181 4.462 -13.017 1.00 22.10 C ATOM 664 CG ASN B 22 9.587 4.015 -13.364 1.00 72.23 C ATOM 665 OD1 ASN B 22 9.782 3.129 -14.197 1.00 11.43 O ATOM 666 ND2 ASN B 22 10.577 4.626 -12.724 1.00 64.23 N ATOM 0 H ASN B 22 6.440 2.587 -12.036 1.00 51.24 H new ATOM 0 HA ASN B 22 8.685 4.187 -10.946 1.00 71.35 H new ATOM 0 HB2 ASN B 22 7.474 3.991 -13.700 1.00 22.10 H new ATOM 0 HB3 ASN B 22 8.098 5.539 -13.165 1.00 22.10 H new ATOM 0 HD21 ASN B 22 11.545 4.366 -12.915 1.00 64.23 H new ATOM 0 HD22 ASN B 22 10.370 5.355 -12.041 1.00 64.23 H new ATOM 673 N PHE B 23 5.488 4.762 -11.214 1.00 72.33 N ATOM 674 CA PHE B 23 4.400 5.622 -10.765 1.00 45.10 C ATOM 675 C PHE B 23 4.143 5.442 -9.272 1.00 10.21 C ATOM 676 O PHE B 23 3.241 6.059 -8.707 1.00 11.22 O ATOM 677 CB PHE B 23 3.125 5.321 -11.555 1.00 0.03 C ATOM 678 CG PHE B 23 3.308 5.400 -13.043 1.00 2.22 C ATOM 679 CD1 PHE B 23 3.539 6.617 -13.663 1.00 22.53 C ATOM 680 CD2 PHE B 23 3.248 4.257 -13.824 1.00 34.22 C ATOM 681 CE1 PHE B 23 3.708 6.694 -15.032 1.00 13.23 C ATOM 682 CE2 PHE B 23 3.416 4.327 -15.194 1.00 73.43 C ATOM 683 CZ PHE B 23 3.646 5.548 -15.799 1.00 53.44 C ATOM 0 H PHE B 23 5.184 3.889 -11.645 1.00 72.33 H new ATOM 0 HA PHE B 23 4.692 6.657 -10.941 1.00 45.10 H new ATOM 0 HB2 PHE B 23 2.772 4.324 -11.293 1.00 0.03 H new ATOM 0 HB3 PHE B 23 2.347 6.023 -11.255 1.00 0.03 H new ATOM 0 HD1 PHE B 23 3.588 7.517 -13.068 1.00 22.53 H new ATOM 0 HD2 PHE B 23 3.068 3.300 -13.357 1.00 34.22 H new ATOM 0 HE1 PHE B 23 3.888 7.650 -15.502 1.00 13.23 H new ATOM 0 HE2 PHE B 23 3.368 3.428 -15.791 1.00 73.43 H new ATOM 0 HZ PHE B 23 3.777 5.605 -16.869 1.00 53.44 H new ATOM 693 N GLY B 24 4.942 4.589 -8.639 1.00 71.14 N ATOM 694 CA GLY B 24 4.786 4.341 -7.219 1.00 34.41 C ATOM 695 C GLY B 24 5.559 5.329 -6.368 1.00 33.43 C ATOM 696 O GLY B 24 5.300 5.464 -5.171 1.00 43.15 O ATOM 0 H GLY B 24 5.695 4.065 -9.085 1.00 71.14 H new ATOM 0 HA2 GLY B 24 3.729 4.392 -6.959 1.00 34.41 H new ATOM 0 HA3 GLY B 24 5.122 3.329 -6.991 1.00 34.41 H new ATOM 700 N TYR B 25 6.509 6.021 -6.985 1.00 51.44 N ATOM 701 CA TYR B 25 7.326 7.000 -6.276 1.00 13.35 C ATOM 702 C TYR B 25 6.452 8.056 -5.607 1.00 0.43 C ATOM 703 O TYR B 25 6.846 8.669 -4.614 1.00 12.35 O ATOM 704 CB TYR B 25 8.308 7.669 -7.239 1.00 74.25 C ATOM 705 CG TYR B 25 9.744 7.244 -7.030 1.00 41.21 C ATOM 706 CD1 TYR B 25 10.555 7.894 -6.108 1.00 0.21 C ATOM 707 CD2 TYR B 25 10.291 6.194 -7.757 1.00 11.14 C ATOM 708 CE1 TYR B 25 11.868 7.510 -5.915 1.00 11.14 C ATOM 709 CE2 TYR B 25 11.602 5.802 -7.570 1.00 34.41 C ATOM 710 CZ TYR B 25 12.387 6.463 -6.647 1.00 2.11 C ATOM 711 OH TYR B 25 13.694 6.076 -6.458 1.00 44.21 O ATOM 0 H TYR B 25 6.733 5.923 -7.975 1.00 51.44 H new ATOM 0 HA TYR B 25 7.887 6.476 -5.502 1.00 13.35 H new ATOM 0 HB2 TYR B 25 8.015 7.438 -8.263 1.00 74.25 H new ATOM 0 HB3 TYR B 25 8.237 8.751 -7.124 1.00 74.25 H new ATOM 0 HD1 TYR B 25 10.152 8.714 -5.532 1.00 0.21 H new ATOM 0 HD2 TYR B 25 9.680 5.675 -8.481 1.00 11.14 H new ATOM 0 HE1 TYR B 25 12.485 8.027 -5.195 1.00 11.14 H new ATOM 0 HE2 TYR B 25 12.011 4.983 -8.143 1.00 34.41 H new ATOM 0 HH TYR B 25 13.901 5.324 -7.051 1.00 44.21 H new ATOM 721 N THR B 26 5.260 8.264 -6.160 1.00 65.42 N ATOM 722 CA THR B 26 4.328 9.247 -5.619 1.00 75.11 C ATOM 723 C THR B 26 4.114 9.037 -4.125 1.00 72.14 C ATOM 724 O THR B 26 3.910 9.994 -3.376 1.00 35.12 O ATOM 725 CB THR B 26 2.966 9.182 -6.336 1.00 74.44 C ATOM 726 OG1 THR B 26 2.196 10.348 -6.027 1.00 22.22 O ATOM 727 CG2 THR B 26 2.196 7.936 -5.923 1.00 42.42 C ATOM 0 H THR B 26 4.918 7.765 -6.981 1.00 65.42 H new ATOM 0 HA THR B 26 4.771 10.229 -5.785 1.00 75.11 H new ATOM 0 HB THR B 26 3.146 9.139 -7.410 1.00 74.44 H new ATOM 0 HG1 THR B 26 1.930 10.794 -6.858 1.00 22.22 H new ATOM 0 HG21 THR B 26 1.238 7.912 -6.442 1.00 42.42 H new ATOM 0 HG22 THR B 26 2.773 7.049 -6.184 1.00 42.42 H new ATOM 0 HG23 THR B 26 2.025 7.954 -4.847 1.00 42.42 H new ATOM 735 N LEU B 27 4.164 7.780 -3.695 1.00 64.42 N ATOM 736 CA LEU B 27 3.976 7.445 -2.288 1.00 50.25 C ATOM 737 C LEU B 27 5.223 7.785 -1.476 1.00 0.11 C ATOM 738 O LEU B 27 5.246 8.771 -0.740 1.00 33.23 O ATOM 739 CB LEU B 27 3.645 5.959 -2.137 1.00 24.41 C ATOM 740 CG LEU B 27 2.159 5.608 -2.049 1.00 71.05 C ATOM 741 CD1 LEU B 27 1.538 5.565 -3.436 1.00 52.35 C ATOM 742 CD2 LEU B 27 1.967 4.279 -1.335 1.00 53.24 C ATOM 0 H LEU B 27 4.333 6.977 -4.301 1.00 64.42 H new ATOM 0 HA LEU B 27 3.144 8.037 -1.907 1.00 50.25 H new ATOM 0 HB2 LEU B 27 4.075 5.424 -2.984 1.00 24.41 H new ATOM 0 HB3 LEU B 27 4.140 5.586 -1.240 1.00 24.41 H new ATOM 0 HG LEU B 27 1.655 6.384 -1.472 1.00 71.05 H new ATOM 0 HD11 LEU B 27 0.481 5.314 -3.354 1.00 52.35 H new ATOM 0 HD12 LEU B 27 1.643 6.540 -3.912 1.00 52.35 H new ATOM 0 HD13 LEU B 27 2.044 4.811 -4.038 1.00 52.35 H new ATOM 0 HD21 LEU B 27 0.904 4.045 -1.281 1.00 53.24 H new ATOM 0 HD22 LEU B 27 2.484 3.493 -1.885 1.00 53.24 H new ATOM 0 HD23 LEU B 27 2.375 4.346 -0.326 1.00 53.24 H new ATOM 754 N ARG B 28 6.257 6.963 -1.617 1.00 45.50 N ATOM 755 CA ARG B 28 7.507 7.177 -0.898 1.00 4.34 C ATOM 756 C ARG B 28 8.185 8.466 -1.357 1.00 15.45 C ATOM 757 O ARG B 28 7.909 9.543 -0.831 1.00 61.50 O ATOM 758 CB ARG B 28 8.449 5.991 -1.107 1.00 53.43 C ATOM 759 CG ARG B 28 9.284 5.652 0.118 1.00 22.13 C ATOM 760 CD ARG B 28 10.511 6.543 0.219 1.00 73.54 C ATOM 761 NE ARG B 28 10.388 7.525 1.293 1.00 54.14 N ATOM 762 CZ ARG B 28 11.238 8.530 1.471 1.00 73.45 C ATOM 763 NH1 ARG B 28 12.268 8.685 0.650 1.00 25.34 N ATOM 764 NH2 ARG B 28 11.059 9.383 2.472 1.00 12.24 N ATOM 0 H ARG B 28 6.254 6.142 -2.223 1.00 45.50 H new ATOM 0 HA ARG B 28 7.276 7.266 0.163 1.00 4.34 H new ATOM 0 HB2 ARG B 28 7.862 5.117 -1.389 1.00 53.43 H new ATOM 0 HB3 ARG B 28 9.116 6.210 -1.941 1.00 53.43 H new ATOM 0 HG2 ARG B 28 8.677 5.764 1.016 1.00 22.13 H new ATOM 0 HG3 ARG B 28 9.594 4.608 0.071 1.00 22.13 H new ATOM 0 HD2 ARG B 28 11.393 5.927 0.391 1.00 73.54 H new ATOM 0 HD3 ARG B 28 10.663 7.060 -0.729 1.00 73.54 H new ATOM 0 HE ARG B 28 9.606 7.434 1.942 1.00 54.14 H new ATOM 0 HH11 ARG B 28 12.409 8.032 -0.120 1.00 25.34 H new ATOM 0 HH12 ARG B 28 12.919 9.458 0.789 1.00 25.34 H new ATOM 0 HH21 ARG B 28 10.268 9.267 3.106 1.00 12.24 H new ATOM 0 HH22 ARG B 28 11.712 10.154 2.608 1.00 12.24 H new TER 778 ARG B 28