USER MOD reduce.3.24.130724 H: found=0, std=0, add=1044, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1045 hydrogens (27 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 3 ASN : amide:sc= -0.215 X(o=-0.22,f=-0.034) 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 -105:sc= -0.223 USER MOD Single : A 17 SER OG : rot -98:sc= 1.23 USER MOD Single : A 18 ASN : amide:sc= -0.385 X(o=-0.39,f=-0.55) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -54:sc= 0.0815 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 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.417 K(o=0.42,f=-1.9!) USER MOD Single : A 45 SER OG : rot 73:sc= 0.324 USER MOD Single : A 46 THR OG1 : rot -74:sc= 1.22 USER MOD Single : A 56 THR OG1 : rot 151:sc= -0.356 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 CYS SG : rot 90:sc= 0.0166 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0687) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 170:sc= -0.0278 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 162:sc= -0.0104 (180deg=-0.201) USER MOD Single : A 86 THR OG1 : rot -7:sc= 0.243 USER MOD Single : A 88 LYS NZ :NH3+ 150:sc= -0.0163 (180deg=-0.221) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl -164:sc= -0.0171 (180deg=-0.287) USER MOD Single : A 99 THR OG1 : rot -65:sc= 0.74 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 109 MET CE :methyl 159:sc= -0.0679 (180deg=-0.194) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc=-0.00556 K(o=-0.0056,f=-2.3) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 GLN : amide:sc= -0.0195 X(o=-0.02,f=-0.12) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 6.790 11.958 -2.861 1.00 22.12 C HETATM 2 O1 MYR A 1 6.248 12.000 -1.757 1.00 74.04 O HETATM 3 C2 MYR A 1 7.140 10.589 -3.447 1.00 4.41 C HETATM 4 C3 MYR A 1 6.150 9.460 -3.079 1.00 1.24 C HETATM 5 C4 MYR A 1 4.765 9.673 -3.716 1.00 52.53 C HETATM 6 C5 MYR A 1 4.291 8.437 -4.503 1.00 61.03 C HETATM 7 C6 MYR A 1 2.832 8.064 -4.179 1.00 10.03 C HETATM 8 C7 MYR A 1 2.187 7.216 -5.291 1.00 55.32 C HETATM 9 C8 MYR A 1 0.922 6.484 -4.806 1.00 34.54 C HETATM 10 C9 MYR A 1 1.232 5.064 -4.293 1.00 55.32 C HETATM 11 C10 MYR A 1 1.101 4.955 -2.760 1.00 3.22 C HETATM 12 C11 MYR A 1 1.775 3.707 -2.152 1.00 71.43 C HETATM 13 C12 MYR A 1 0.826 2.506 -1.953 1.00 1.44 C HETATM 14 C13 MYR A 1 0.892 1.944 -0.522 1.00 33.10 C HETATM 15 C14 MYR A 1 0.892 0.409 -0.512 1.00 14.12 C HETATM 0 H143 MYR A 1 -0.021 0.042 -0.982 1.00 14.12 H new HETATM 0 H142 MYR A 1 1.757 0.042 -1.064 1.00 14.12 H new HETATM 0 H141 MYR A 1 0.939 0.052 0.517 1.00 14.12 H new HETATM 0 H132 MYR A 1 1.792 2.311 -0.029 1.00 33.10 H new HETATM 0 H131 MYR A 1 0.042 2.311 0.052 1.00 33.10 H new HETATM 0 H122 MYR A 1 -0.196 2.812 -2.174 1.00 1.44 H new HETATM 0 H121 MYR A 1 1.084 1.720 -2.663 1.00 1.44 H new HETATM 0 H112 MYR A 1 2.598 3.402 -2.798 1.00 71.43 H new HETATM 0 H111 MYR A 1 2.209 3.976 -1.189 1.00 71.43 H new HETATM 0 H102 MYR A 1 1.535 5.846 -2.306 1.00 3.22 H new HETATM 0 H101 MYR A 1 0.043 4.947 -2.497 1.00 3.22 H new HETATM 0 H92 MYR A 1 0.554 4.353 -4.765 1.00 55.32 H new HETATM 0 H91 MYR A 1 2.243 4.785 -4.590 1.00 55.32 H new HETATM 0 H82 MYR A 1 0.453 7.062 -4.010 1.00 34.54 H new HETATM 0 H81 MYR A 1 0.203 6.424 -5.623 1.00 34.54 H new HETATM 0 H72 MYR A 1 1.932 7.859 -6.134 1.00 55.32 H new HETATM 0 H71 MYR A 1 2.910 6.486 -5.654 1.00 55.32 H new HETATM 0 H62 MYR A 1 2.800 7.513 -3.239 1.00 10.03 H new HETATM 0 H61 MYR A 1 2.250 8.974 -4.035 1.00 10.03 H new HETATM 0 H52 MYR A 1 4.386 8.631 -5.571 1.00 61.03 H new HETATM 0 H51 MYR A 1 4.940 7.592 -4.273 1.00 61.03 H new HETATM 0 H42 MYR A 1 4.040 9.905 -2.936 1.00 52.53 H new HETATM 0 H41 MYR A 1 4.802 10.534 -4.383 1.00 52.53 H new HETATM 0 H32 MYR A 1 6.555 8.502 -3.406 1.00 1.24 H new HETATM 0 H31 MYR A 1 6.046 9.409 -1.995 1.00 1.24 H new HETATM 0 H22 MYR A 1 7.187 10.674 -4.533 1.00 4.41 H new HETATM 0 H21 MYR A 1 8.136 10.306 -3.106 1.00 4.41 H new ATOM 43 N GLY A 2 7.093 13.048 -3.560 1.00 31.31 N ATOM 44 CA GLY A 2 6.790 14.369 -3.042 1.00 5.21 C ATOM 45 C GLY A 2 6.263 15.305 -4.112 1.00 25.32 C ATOM 46 O GLY A 2 6.615 16.483 -4.143 1.00 51.20 O ATOM 0 HA2 GLY A 2 6.053 14.283 -2.244 1.00 5.21 H new ATOM 0 HA3 GLY A 2 7.689 14.797 -2.600 1.00 5.21 H new ATOM 50 N ASN A 3 5.419 14.778 -4.992 1.00 72.05 N ATOM 51 CA ASN A 3 4.844 15.574 -6.071 1.00 1.11 C ATOM 52 C ASN A 3 3.325 15.437 -6.098 1.00 12.31 C ATOM 53 O ASN A 3 2.600 16.407 -5.881 1.00 12.22 O ATOM 54 CB ASN A 3 5.430 15.145 -7.418 1.00 1.04 C ATOM 55 CG ASN A 3 6.345 16.198 -8.012 1.00 54.52 C ATOM 56 OD1 ASN A 3 7.479 15.908 -8.393 1.00 11.41 O ATOM 57 ND2 ASN A 3 5.854 17.430 -8.094 1.00 71.31 N ATOM 0 H ASN A 3 5.118 13.804 -4.980 1.00 72.05 H new ATOM 0 HA ASN A 3 5.094 16.619 -5.890 1.00 1.11 H new ATOM 0 HB2 ASN A 3 5.985 14.216 -7.290 1.00 1.04 H new ATOM 0 HB3 ASN A 3 4.618 14.938 -8.115 1.00 1.04 H new ATOM 0 HD21 ASN A 3 6.423 18.181 -8.485 1.00 71.31 H new ATOM 0 HD22 ASN A 3 4.908 17.625 -7.766 1.00 71.31 H new ATOM 64 N GLY A 4 2.850 14.225 -6.366 1.00 33.42 N ATOM 65 CA GLY A 4 1.420 13.983 -6.416 1.00 33.51 C ATOM 66 C GLY A 4 1.076 12.512 -6.282 1.00 15.44 C ATOM 67 O GLY A 4 1.949 11.685 -6.023 1.00 72.35 O ATOM 0 H GLY A 4 3.430 13.406 -6.549 1.00 33.42 H new ATOM 0 HA2 GLY A 4 0.932 14.541 -5.617 1.00 33.51 H new ATOM 0 HA3 GLY A 4 1.023 14.361 -7.358 1.00 33.51 H new ATOM 71 N ALA A 5 -0.201 12.187 -6.456 1.00 32.04 N ATOM 72 CA ALA A 5 -0.659 10.807 -6.353 1.00 24.23 C ATOM 73 C ALA A 5 -1.704 10.494 -7.418 1.00 64.12 C ATOM 74 O ALA A 5 -2.879 10.825 -7.264 1.00 72.23 O ATOM 75 CB ALA A 5 -1.221 10.539 -4.964 1.00 41.34 C ATOM 0 H ALA A 5 -0.937 12.861 -6.669 1.00 32.04 H new ATOM 0 HA ALA A 5 0.197 10.153 -6.519 1.00 24.23 H new ATOM 0 HB1 ALA A 5 -1.559 9.505 -4.902 1.00 41.34 H new ATOM 0 HB2 ALA A 5 -0.446 10.713 -4.218 1.00 41.34 H new ATOM 0 HB3 ALA A 5 -2.061 11.207 -4.776 1.00 41.34 H new ATOM 81 N SER A 6 -1.267 9.855 -8.499 1.00 32.00 N ATOM 82 CA SER A 6 -2.165 9.501 -9.593 1.00 3.55 C ATOM 83 C SER A 6 -1.489 8.534 -10.559 1.00 24.20 C ATOM 84 O SER A 6 -1.979 7.429 -10.793 1.00 54.35 O ATOM 85 CB SER A 6 -2.611 10.759 -10.341 1.00 30.01 C ATOM 86 OG SER A 6 -4.021 10.796 -10.481 1.00 23.04 O ATOM 0 H SER A 6 -0.297 9.572 -8.641 1.00 32.00 H new ATOM 0 HA SER A 6 -3.040 9.010 -9.168 1.00 3.55 H new ATOM 0 HB2 SER A 6 -2.272 11.645 -9.804 1.00 30.01 H new ATOM 0 HB3 SER A 6 -2.144 10.785 -11.325 1.00 30.01 H new ATOM 0 HG SER A 6 -4.281 11.610 -10.961 1.00 23.04 H new ATOM 92 N ARG A 7 -0.359 8.957 -11.117 1.00 12.21 N ATOM 93 CA ARG A 7 0.385 8.130 -12.059 1.00 74.30 C ATOM 94 C ARG A 7 0.924 6.877 -11.374 1.00 42.34 C ATOM 95 O ARG A 7 0.708 5.760 -11.843 1.00 33.52 O ATOM 96 CB ARG A 7 1.538 8.927 -12.670 1.00 63.14 C ATOM 97 CG ARG A 7 1.337 9.259 -14.140 1.00 5.21 C ATOM 98 CD ARG A 7 1.800 10.672 -14.460 1.00 25.11 C ATOM 99 NE ARG A 7 2.188 10.817 -15.861 1.00 31.15 N ATOM 100 CZ ARG A 7 1.317 10.878 -16.861 1.00 72.45 C ATOM 101 NH1 ARG A 7 0.016 10.807 -16.617 1.00 75.35 N ATOM 102 NH2 ARG A 7 1.747 11.010 -18.110 1.00 11.02 N ATOM 0 H ARG A 7 0.061 9.868 -10.933 1.00 12.21 H new ATOM 0 HA ARG A 7 -0.296 7.824 -12.853 1.00 74.30 H new ATOM 0 HB2 ARG A 7 1.664 9.854 -12.111 1.00 63.14 H new ATOM 0 HB3 ARG A 7 2.461 8.359 -12.557 1.00 63.14 H new ATOM 0 HG2 ARG A 7 1.888 8.547 -14.754 1.00 5.21 H new ATOM 0 HG3 ARG A 7 0.283 9.153 -14.397 1.00 5.21 H new ATOM 0 HD2 ARG A 7 1.000 11.376 -14.231 1.00 25.11 H new ATOM 0 HD3 ARG A 7 2.645 10.930 -13.821 1.00 25.11 H new ATOM 0 HE ARG A 7 3.182 10.874 -16.083 1.00 31.15 H new ATOM 0 HH11 ARG A 7 -0.318 10.705 -15.659 1.00 75.35 H new ATOM 0 HH12 ARG A 7 -0.651 10.854 -17.387 1.00 75.35 H new ATOM 0 HH21 ARG A 7 2.747 11.065 -18.302 1.00 11.02 H new ATOM 0 HH22 ARG A 7 1.077 11.057 -18.878 1.00 11.02 H new ATOM 116 N ASP A 8 1.628 7.073 -10.265 1.00 34.34 N ATOM 117 CA ASP A 8 2.198 5.959 -9.515 1.00 11.52 C ATOM 118 C ASP A 8 1.099 5.073 -8.937 1.00 53.42 C ATOM 119 O ASP A 8 1.300 3.878 -8.724 1.00 32.12 O ATOM 120 CB ASP A 8 3.094 6.480 -8.390 1.00 42.21 C ATOM 121 CG ASP A 8 4.519 6.721 -8.850 1.00 13.05 C ATOM 122 OD1 ASP A 8 4.719 6.966 -10.057 1.00 53.53 O ATOM 123 OD2 ASP A 8 5.434 6.663 -8.001 1.00 52.23 O ATOM 0 H ASP A 8 1.818 7.992 -9.865 1.00 34.34 H new ATOM 0 HA ASP A 8 2.798 5.361 -10.201 1.00 11.52 H new ATOM 0 HB2 ASP A 8 2.679 7.409 -8.000 1.00 42.21 H new ATOM 0 HB3 ASP A 8 3.096 5.763 -7.569 1.00 42.21 H new ATOM 128 N TRP A 9 -0.062 5.668 -8.686 1.00 21.12 N ATOM 129 CA TRP A 9 -1.193 4.932 -8.131 1.00 41.45 C ATOM 130 C TRP A 9 -1.684 3.871 -9.110 1.00 12.23 C ATOM 131 O TRP A 9 -1.766 2.690 -8.771 1.00 53.30 O ATOM 132 CB TRP A 9 -2.333 5.893 -7.787 1.00 25.33 C ATOM 133 CG TRP A 9 -3.572 5.197 -7.312 1.00 12.14 C ATOM 134 CD1 TRP A 9 -4.718 4.985 -8.025 1.00 5.43 C ATOM 135 CD2 TRP A 9 -3.791 4.624 -6.018 1.00 21.00 C ATOM 136 NE1 TRP A 9 -5.635 4.315 -7.252 1.00 52.21 N ATOM 137 CE2 TRP A 9 -5.091 4.081 -6.017 1.00 43.02 C ATOM 138 CE3 TRP A 9 -3.015 4.515 -4.861 1.00 62.31 C ATOM 139 CZ2 TRP A 9 -5.629 3.441 -4.904 1.00 60.11 C ATOM 140 CZ3 TRP A 9 -3.551 3.879 -3.757 1.00 44.41 C ATOM 141 CH2 TRP A 9 -4.847 3.348 -3.785 1.00 10.41 C ATOM 0 H TRP A 9 -0.245 6.657 -8.858 1.00 21.12 H new ATOM 0 HA TRP A 9 -0.860 4.434 -7.221 1.00 41.45 H new ATOM 0 HB2 TRP A 9 -1.995 6.585 -7.016 1.00 25.33 H new ATOM 0 HB3 TRP A 9 -2.574 6.489 -8.667 1.00 25.33 H new ATOM 0 HD1 TRP A 9 -4.879 5.298 -9.046 1.00 5.43 H new ATOM 0 HE1 TRP A 9 -6.570 4.037 -7.550 1.00 52.21 H new ATOM 0 HE3 TRP A 9 -2.014 4.920 -4.830 1.00 62.31 H new ATOM 0 HZ2 TRP A 9 -6.628 3.032 -4.923 1.00 60.11 H new ATOM 0 HZ3 TRP A 9 -2.960 3.790 -2.857 1.00 44.41 H new ATOM 0 HH2 TRP A 9 -5.237 2.856 -2.906 1.00 10.41 H new ATOM 152 N LYS A 10 -2.010 4.298 -10.325 1.00 11.41 N ATOM 153 CA LYS A 10 -2.492 3.385 -11.354 1.00 31.31 C ATOM 154 C LYS A 10 -1.424 2.356 -11.712 1.00 51.21 C ATOM 155 O LYS A 10 -1.731 1.193 -11.969 1.00 74.41 O ATOM 156 CB LYS A 10 -2.904 4.164 -12.605 1.00 13.23 C ATOM 157 CG LYS A 10 -4.409 4.278 -12.782 1.00 45.12 C ATOM 158 CD LYS A 10 -4.879 3.555 -14.033 1.00 22.41 C ATOM 159 CE LYS A 10 -6.392 3.402 -14.053 1.00 21.44 C ATOM 160 NZ LYS A 10 -7.012 4.161 -15.174 1.00 64.51 N ATOM 0 H LYS A 10 -1.949 5.272 -10.621 1.00 11.41 H new ATOM 0 HA LYS A 10 -3.361 2.859 -10.959 1.00 31.31 H new ATOM 0 HB2 LYS A 10 -2.475 5.165 -12.557 1.00 13.23 H new ATOM 0 HB3 LYS A 10 -2.479 3.677 -13.483 1.00 13.23 H new ATOM 0 HG2 LYS A 10 -4.912 3.861 -11.909 1.00 45.12 H new ATOM 0 HG3 LYS A 10 -4.691 5.329 -12.840 1.00 45.12 H new ATOM 0 HD2 LYS A 10 -4.556 4.106 -14.916 1.00 22.41 H new ATOM 0 HD3 LYS A 10 -4.412 2.571 -14.083 1.00 22.41 H new ATOM 0 HE2 LYS A 10 -6.649 2.347 -14.143 1.00 21.44 H new ATOM 0 HE3 LYS A 10 -6.805 3.751 -13.106 1.00 21.44 H new ATOM 0 HZ1 LYS A 10 -8.044 4.031 -15.153 1.00 64.51 H new ATOM 0 HZ2 LYS A 10 -6.788 5.172 -15.074 1.00 64.51 H new ATOM 0 HZ3 LYS A 10 -6.638 3.811 -16.079 1.00 64.51 H new ATOM 174 N MET A 11 -0.169 2.793 -11.725 1.00 51.25 N ATOM 175 CA MET A 11 0.944 1.909 -12.049 1.00 62.24 C ATOM 176 C MET A 11 1.124 0.844 -10.972 1.00 4.53 C ATOM 177 O MET A 11 1.303 -0.335 -11.275 1.00 3.33 O ATOM 178 CB MET A 11 2.235 2.715 -12.207 1.00 52.12 C ATOM 179 CG MET A 11 3.237 2.078 -13.156 1.00 51.54 C ATOM 180 SD MET A 11 3.403 2.989 -14.704 1.00 5.23 S ATOM 181 CE MET A 11 5.041 3.688 -14.510 1.00 42.24 C ATOM 0 H MET A 11 0.102 3.754 -11.515 1.00 51.25 H new ATOM 0 HA MET A 11 0.717 1.412 -12.992 1.00 62.24 H new ATOM 0 HB2 MET A 11 1.988 3.713 -12.569 1.00 52.12 H new ATOM 0 HB3 MET A 11 2.700 2.836 -11.229 1.00 52.12 H new ATOM 0 HG2 MET A 11 4.209 2.020 -12.667 1.00 51.54 H new ATOM 0 HG3 MET A 11 2.928 1.055 -13.372 1.00 51.54 H new ATOM 0 HE1 MET A 11 5.290 4.281 -15.390 1.00 42.24 H new ATOM 0 HE2 MET A 11 5.063 4.324 -13.625 1.00 42.24 H new ATOM 0 HE3 MET A 11 5.769 2.884 -14.397 1.00 42.24 H new ATOM 191 N ALA A 12 1.076 1.269 -9.713 1.00 63.12 N ATOM 192 CA ALA A 12 1.233 0.352 -8.591 1.00 74.32 C ATOM 193 C ALA A 12 0.193 -0.763 -8.645 1.00 25.14 C ATOM 194 O ALA A 12 0.524 -1.940 -8.495 1.00 50.13 O ATOM 195 CB ALA A 12 1.132 1.107 -7.274 1.00 71.02 C ATOM 0 H ALA A 12 0.930 2.242 -9.445 1.00 63.12 H new ATOM 0 HA ALA A 12 2.221 -0.103 -8.661 1.00 74.32 H new ATOM 0 HB1 ALA A 12 1.251 0.410 -6.445 1.00 71.02 H new ATOM 0 HB2 ALA A 12 1.915 1.863 -7.227 1.00 71.02 H new ATOM 0 HB3 ALA A 12 0.157 1.590 -7.205 1.00 71.02 H new ATOM 201 N ILE A 13 -1.062 -0.385 -8.858 1.00 34.25 N ATOM 202 CA ILE A 13 -2.149 -1.354 -8.931 1.00 11.12 C ATOM 203 C ILE A 13 -2.103 -2.133 -10.241 1.00 34.44 C ATOM 204 O ILE A 13 -2.471 -3.307 -10.291 1.00 32.32 O ATOM 205 CB ILE A 13 -3.523 -0.670 -8.801 1.00 42.33 C ATOM 206 CG1 ILE A 13 -3.618 0.086 -7.474 1.00 45.03 C ATOM 207 CG2 ILE A 13 -4.639 -1.698 -8.913 1.00 10.54 C ATOM 208 CD1 ILE A 13 -4.941 0.791 -7.273 1.00 61.52 C ATOM 0 H ILE A 13 -1.352 0.585 -8.983 1.00 34.25 H new ATOM 0 HA ILE A 13 -2.015 -2.042 -8.097 1.00 11.12 H new ATOM 0 HB ILE A 13 -3.634 0.047 -9.614 1.00 42.33 H new ATOM 0 HG12 ILE A 13 -3.461 -0.615 -6.654 1.00 45.03 H new ATOM 0 HG13 ILE A 13 -2.813 0.820 -7.425 1.00 45.03 H new ATOM 0 HG21 ILE A 13 -5.604 -1.199 -8.819 1.00 10.54 H new ATOM 0 HG22 ILE A 13 -4.580 -2.195 -9.881 1.00 10.54 H new ATOM 0 HG23 ILE A 13 -4.534 -2.437 -8.119 1.00 10.54 H new ATOM 0 HD11 ILE A 13 -4.937 1.305 -6.312 1.00 61.52 H new ATOM 0 HD12 ILE A 13 -5.092 1.516 -8.072 1.00 61.52 H new ATOM 0 HD13 ILE A 13 -5.749 0.060 -7.289 1.00 61.52 H new ATOM 220 N LYS A 14 -1.648 -1.473 -11.300 1.00 24.32 N ATOM 221 CA LYS A 14 -1.550 -2.104 -12.611 1.00 3.31 C ATOM 222 C LYS A 14 -0.709 -3.375 -12.542 1.00 41.41 C ATOM 223 O LYS A 14 -1.083 -4.408 -13.097 1.00 21.23 O ATOM 224 CB LYS A 14 -0.941 -1.131 -13.623 1.00 42.12 C ATOM 225 CG LYS A 14 -0.670 -1.756 -14.981 1.00 24.24 C ATOM 226 CD LYS A 14 -0.264 -0.710 -16.005 1.00 71.25 C ATOM 227 CE LYS A 14 -0.750 -1.078 -17.399 1.00 54.51 C ATOM 228 NZ LYS A 14 0.276 -0.788 -18.439 1.00 14.32 N ATOM 0 H LYS A 14 -1.341 -0.501 -11.276 1.00 24.32 H new ATOM 0 HA LYS A 14 -2.556 -2.373 -12.934 1.00 3.31 H new ATOM 0 HB2 LYS A 14 -1.615 -0.284 -13.750 1.00 42.12 H new ATOM 0 HB3 LYS A 14 -0.007 -0.738 -13.220 1.00 42.12 H new ATOM 0 HG2 LYS A 14 0.120 -2.502 -14.888 1.00 24.24 H new ATOM 0 HG3 LYS A 14 -1.562 -2.278 -15.327 1.00 24.24 H new ATOM 0 HD2 LYS A 14 -0.674 0.259 -15.719 1.00 71.25 H new ATOM 0 HD3 LYS A 14 0.821 -0.608 -16.012 1.00 71.25 H new ATOM 0 HE2 LYS A 14 -1.006 -2.137 -17.427 1.00 54.51 H new ATOM 0 HE3 LYS A 14 -1.662 -0.524 -17.624 1.00 54.51 H new ATOM 0 HZ1 LYS A 14 -0.093 -1.053 -19.374 1.00 14.32 H new ATOM 0 HZ2 LYS A 14 0.502 0.227 -18.430 1.00 14.32 H new ATOM 0 HZ3 LYS A 14 1.137 -1.336 -18.239 1.00 14.32 H new ATOM 242 N ARG A 15 0.427 -3.291 -11.857 1.00 50.14 N ATOM 243 CA ARG A 15 1.320 -4.435 -11.716 1.00 40.42 C ATOM 244 C ARG A 15 0.780 -5.422 -10.686 1.00 1.03 C ATOM 245 O ARG A 15 0.789 -6.633 -10.908 1.00 74.32 O ATOM 246 CB ARG A 15 2.719 -3.969 -11.308 1.00 71.01 C ATOM 247 CG ARG A 15 3.764 -4.152 -12.397 1.00 34.53 C ATOM 248 CD ARG A 15 3.425 -3.339 -13.636 1.00 62.13 C ATOM 249 NE ARG A 15 2.916 -4.177 -14.719 1.00 22.14 N ATOM 250 CZ ARG A 15 2.794 -3.762 -15.974 1.00 54.53 C ATOM 251 NH1 ARG A 15 3.142 -2.525 -16.304 1.00 70.50 N ATOM 252 NH2 ARG A 15 2.322 -4.583 -16.903 1.00 62.34 N ATOM 0 H ARG A 15 0.751 -2.443 -11.391 1.00 50.14 H new ATOM 0 HA ARG A 15 1.379 -4.939 -12.680 1.00 40.42 H new ATOM 0 HB2 ARG A 15 2.676 -2.916 -11.031 1.00 71.01 H new ATOM 0 HB3 ARG A 15 3.031 -4.519 -10.420 1.00 71.01 H new ATOM 0 HG2 ARG A 15 4.741 -3.851 -12.019 1.00 34.53 H new ATOM 0 HG3 ARG A 15 3.835 -5.207 -12.661 1.00 34.53 H new ATOM 0 HD2 ARG A 15 2.681 -2.584 -13.382 1.00 62.13 H new ATOM 0 HD3 ARG A 15 4.314 -2.808 -13.976 1.00 62.13 H new ATOM 0 HE ARG A 15 2.639 -5.134 -14.499 1.00 22.14 H new ATOM 0 HH11 ARG A 15 3.504 -1.890 -15.593 1.00 70.50 H new ATOM 0 HH12 ARG A 15 3.047 -2.209 -17.269 1.00 70.50 H new ATOM 0 HH21 ARG A 15 2.052 -5.534 -16.653 1.00 62.34 H new ATOM 0 HH22 ARG A 15 2.229 -4.263 -17.867 1.00 62.34 H new ATOM 266 N CYS A 16 0.312 -4.896 -9.559 1.00 62.41 N ATOM 267 CA CYS A 16 -0.230 -5.731 -8.493 1.00 75.54 C ATOM 268 C CYS A 16 -1.428 -6.535 -8.989 1.00 14.11 C ATOM 269 O CYS A 16 -1.739 -7.599 -8.454 1.00 12.04 O ATOM 270 CB CYS A 16 -0.639 -4.868 -7.299 1.00 23.44 C ATOM 271 SG CYS A 16 -1.189 -5.814 -5.859 1.00 12.30 S ATOM 0 H CYS A 16 0.297 -3.896 -9.360 1.00 62.41 H new ATOM 0 HA CYS A 16 0.548 -6.427 -8.179 1.00 75.54 H new ATOM 0 HB2 CYS A 16 0.206 -4.244 -7.009 1.00 23.44 H new ATOM 0 HB3 CYS A 16 -1.440 -4.197 -7.607 1.00 23.44 H new ATOM 0 HG CYS A 16 -2.484 -5.744 -5.763 1.00 12.30 H new ATOM 277 N SER A 17 -2.099 -6.017 -10.014 1.00 24.45 N ATOM 278 CA SER A 17 -3.266 -6.684 -10.578 1.00 13.20 C ATOM 279 C SER A 17 -2.886 -8.038 -11.170 1.00 0.42 C ATOM 280 O SER A 17 -3.746 -8.881 -11.420 1.00 64.23 O ATOM 281 CB SER A 17 -3.910 -5.807 -11.654 1.00 0.13 C ATOM 282 OG SER A 17 -3.202 -5.899 -12.878 1.00 3.33 O ATOM 0 H SER A 17 -1.854 -5.138 -10.470 1.00 24.45 H new ATOM 0 HA SER A 17 -3.984 -6.848 -9.774 1.00 13.20 H new ATOM 0 HB2 SER A 17 -4.945 -6.113 -11.805 1.00 0.13 H new ATOM 0 HB3 SER A 17 -3.930 -4.770 -11.319 1.00 0.13 H new ATOM 0 HG SER A 17 -2.594 -5.135 -12.962 1.00 3.33 H new ATOM 288 N ASN A 18 -1.591 -8.237 -11.391 1.00 4.12 N ATOM 289 CA ASN A 18 -1.095 -9.488 -11.954 1.00 1.51 C ATOM 290 C ASN A 18 -0.658 -10.446 -10.850 1.00 11.20 C ATOM 291 O ASN A 18 0.158 -11.339 -11.075 1.00 64.15 O ATOM 292 CB ASN A 18 0.075 -9.216 -12.901 1.00 44.14 C ATOM 293 CG ASN A 18 0.411 -10.416 -13.765 1.00 73.51 C ATOM 294 OD1 ASN A 18 1.427 -11.080 -13.558 1.00 34.13 O ATOM 295 ND2 ASN A 18 -0.445 -10.701 -14.741 1.00 5.35 N ATOM 0 H ASN A 18 -0.866 -7.549 -11.189 1.00 4.12 H new ATOM 0 HA ASN A 18 -1.907 -9.953 -12.514 1.00 1.51 H new ATOM 0 HB2 ASN A 18 -0.169 -8.368 -13.541 1.00 44.14 H new ATOM 0 HB3 ASN A 18 0.952 -8.934 -12.319 1.00 44.14 H new ATOM 0 HD21 ASN A 18 -0.272 -11.497 -15.355 1.00 5.35 H new ATOM 0 HD22 ASN A 18 -1.275 -10.123 -14.876 1.00 5.35 H new ATOM 302 N VAL A 19 -1.208 -10.254 -9.655 1.00 54.23 N ATOM 303 CA VAL A 19 -0.878 -11.102 -8.516 1.00 43.51 C ATOM 304 C VAL A 19 -2.056 -11.988 -8.131 1.00 32.45 C ATOM 305 O VAL A 19 -3.212 -11.577 -8.223 1.00 52.11 O ATOM 306 CB VAL A 19 -0.460 -10.262 -7.294 1.00 41.13 C ATOM 307 CG1 VAL A 19 -0.151 -11.162 -6.108 1.00 24.31 C ATOM 308 CG2 VAL A 19 0.736 -9.385 -7.635 1.00 33.04 C ATOM 0 H VAL A 19 -1.884 -9.518 -9.451 1.00 54.23 H new ATOM 0 HA VAL A 19 -0.040 -11.729 -8.820 1.00 43.51 H new ATOM 0 HB VAL A 19 -1.291 -9.613 -7.019 1.00 41.13 H new ATOM 0 HG11 VAL A 19 0.142 -10.551 -5.254 1.00 24.31 H new ATOM 0 HG12 VAL A 19 -1.037 -11.743 -5.851 1.00 24.31 H new ATOM 0 HG13 VAL A 19 0.664 -11.838 -6.367 1.00 24.31 H new ATOM 0 HG21 VAL A 19 1.018 -8.798 -6.761 1.00 33.04 H new ATOM 0 HG22 VAL A 19 1.574 -10.014 -7.936 1.00 33.04 H new ATOM 0 HG23 VAL A 19 0.474 -8.714 -8.453 1.00 33.04 H new ATOM 318 N ALA A 20 -1.755 -13.208 -7.697 1.00 61.12 N ATOM 319 CA ALA A 20 -2.789 -14.153 -7.295 1.00 32.12 C ATOM 320 C ALA A 20 -2.992 -14.134 -5.784 1.00 21.44 C ATOM 321 O ALA A 20 -2.056 -13.884 -5.024 1.00 65.44 O ATOM 322 CB ALA A 20 -2.434 -15.556 -7.764 1.00 61.03 C ATOM 0 H ALA A 20 -0.803 -13.565 -7.615 1.00 61.12 H new ATOM 0 HA ALA A 20 -3.725 -13.851 -7.765 1.00 32.12 H new ATOM 0 HB1 ALA A 20 -3.215 -16.251 -7.457 1.00 61.03 H new ATOM 0 HB2 ALA A 20 -2.347 -15.565 -8.850 1.00 61.03 H new ATOM 0 HB3 ALA A 20 -1.485 -15.858 -7.321 1.00 61.03 H new ATOM 328 N VAL A 21 -4.221 -14.400 -5.353 1.00 11.33 N ATOM 329 CA VAL A 21 -4.547 -14.414 -3.932 1.00 3.35 C ATOM 330 C VAL A 21 -3.735 -15.472 -3.192 1.00 53.33 C ATOM 331 O VAL A 21 -3.503 -15.363 -1.989 1.00 52.31 O ATOM 332 CB VAL A 21 -6.046 -14.679 -3.702 1.00 34.32 C ATOM 333 CG1 VAL A 21 -6.890 -13.656 -4.447 1.00 32.40 C ATOM 334 CG2 VAL A 21 -6.408 -16.094 -4.129 1.00 40.20 C ATOM 0 H VAL A 21 -5.008 -14.609 -5.968 1.00 11.33 H new ATOM 0 HA VAL A 21 -4.296 -13.428 -3.540 1.00 3.35 H new ATOM 0 HB VAL A 21 -6.256 -14.580 -2.637 1.00 34.32 H new ATOM 0 HG11 VAL A 21 -7.947 -13.860 -4.272 1.00 32.40 H new ATOM 0 HG12 VAL A 21 -6.649 -12.655 -4.089 1.00 32.40 H new ATOM 0 HG13 VAL A 21 -6.680 -13.719 -5.515 1.00 32.40 H new ATOM 0 HG21 VAL A 21 -7.471 -16.264 -3.960 1.00 40.20 H new ATOM 0 HG22 VAL A 21 -6.184 -16.223 -5.188 1.00 40.20 H new ATOM 0 HG23 VAL A 21 -5.828 -16.810 -3.546 1.00 40.20 H new ATOM 344 N GLY A 22 -3.305 -16.497 -3.922 1.00 14.12 N ATOM 345 CA GLY A 22 -2.524 -17.561 -3.319 1.00 3.54 C ATOM 346 C GLY A 22 -2.017 -18.559 -4.341 1.00 11.24 C ATOM 347 O GLY A 22 -2.383 -18.497 -5.514 1.00 43.54 O ATOM 0 H GLY A 22 -3.484 -16.609 -4.920 1.00 14.12 H new ATOM 0 HA2 GLY A 22 -1.677 -17.129 -2.787 1.00 3.54 H new ATOM 0 HA3 GLY A 22 -3.133 -18.081 -2.580 1.00 3.54 H new ATOM 351 N VAL A 23 -1.171 -19.482 -3.895 1.00 20.13 N ATOM 352 CA VAL A 23 -0.612 -20.498 -4.779 1.00 54.10 C ATOM 353 C VAL A 23 -1.707 -21.394 -5.348 1.00 11.34 C ATOM 354 O VAL A 23 -1.568 -21.946 -6.438 1.00 51.32 O ATOM 355 CB VAL A 23 0.422 -21.372 -4.046 1.00 63.42 C ATOM 356 CG1 VAL A 23 -0.240 -22.154 -2.922 1.00 5.14 C ATOM 357 CG2 VAL A 23 1.114 -22.311 -5.024 1.00 12.24 C ATOM 0 H VAL A 23 -0.858 -19.547 -2.927 1.00 20.13 H new ATOM 0 HA VAL A 23 -0.118 -19.971 -5.595 1.00 54.10 H new ATOM 0 HB VAL A 23 1.177 -20.720 -3.607 1.00 63.42 H new ATOM 0 HG11 VAL A 23 0.507 -22.766 -2.416 1.00 5.14 H new ATOM 0 HG12 VAL A 23 -0.685 -21.460 -2.209 1.00 5.14 H new ATOM 0 HG13 VAL A 23 -1.017 -22.797 -3.335 1.00 5.14 H new ATOM 0 HG21 VAL A 23 1.842 -22.921 -4.489 1.00 12.24 H new ATOM 0 HG22 VAL A 23 0.373 -22.958 -5.494 1.00 12.24 H new ATOM 0 HG23 VAL A 23 1.624 -21.727 -5.790 1.00 12.24 H new ATOM 367 N GLY A 24 -2.798 -21.533 -4.600 1.00 61.30 N ATOM 368 CA GLY A 24 -3.902 -22.363 -5.046 1.00 63.22 C ATOM 369 C GLY A 24 -4.781 -21.662 -6.062 1.00 43.45 C ATOM 370 O GLY A 24 -4.634 -20.463 -6.298 1.00 72.11 O ATOM 0 H GLY A 24 -2.937 -21.086 -3.694 1.00 61.30 H new ATOM 0 HA2 GLY A 24 -3.509 -23.281 -5.482 1.00 63.22 H new ATOM 0 HA3 GLY A 24 -4.506 -22.652 -4.186 1.00 63.22 H new ATOM 374 N GLY A 25 -5.697 -22.411 -6.668 1.00 62.12 N ATOM 375 CA GLY A 25 -6.588 -21.837 -7.659 1.00 40.02 C ATOM 376 C GLY A 25 -6.117 -22.089 -9.078 1.00 2.22 C ATOM 377 O GLY A 25 -5.586 -23.157 -9.384 1.00 1.33 O ATOM 0 H GLY A 25 -5.838 -23.405 -6.490 1.00 62.12 H new ATOM 0 HA2 GLY A 25 -7.586 -22.255 -7.531 1.00 40.02 H new ATOM 0 HA3 GLY A 25 -6.669 -20.763 -7.492 1.00 40.02 H new ATOM 381 N LYS A 26 -6.312 -21.104 -9.948 1.00 52.10 N ATOM 382 CA LYS A 26 -5.904 -21.223 -11.343 1.00 13.52 C ATOM 383 C LYS A 26 -5.427 -19.880 -11.886 1.00 53.53 C ATOM 384 O LYS A 26 -4.320 -19.770 -12.414 1.00 33.45 O ATOM 385 CB LYS A 26 -7.065 -21.745 -12.192 1.00 62.44 C ATOM 386 CG LYS A 26 -6.933 -23.212 -12.565 1.00 54.00 C ATOM 387 CD LYS A 26 -7.189 -23.436 -14.046 1.00 33.11 C ATOM 388 CE LYS A 26 -7.872 -24.772 -14.298 1.00 12.33 C ATOM 389 NZ LYS A 26 -6.952 -25.754 -14.934 1.00 24.22 N ATOM 0 H LYS A 26 -6.750 -20.214 -9.712 1.00 52.10 H new ATOM 0 HA LYS A 26 -5.077 -21.931 -11.395 1.00 13.52 H new ATOM 0 HB2 LYS A 26 -7.997 -21.600 -11.646 1.00 62.44 H new ATOM 0 HB3 LYS A 26 -7.133 -21.151 -13.104 1.00 62.44 H new ATOM 0 HG2 LYS A 26 -5.934 -23.565 -12.310 1.00 54.00 H new ATOM 0 HG3 LYS A 26 -7.638 -23.802 -11.980 1.00 54.00 H new ATOM 0 HD2 LYS A 26 -7.810 -22.629 -14.435 1.00 33.11 H new ATOM 0 HD3 LYS A 26 -6.245 -23.401 -14.589 1.00 33.11 H new ATOM 0 HE2 LYS A 26 -8.238 -25.176 -13.354 1.00 12.33 H new ATOM 0 HE3 LYS A 26 -8.741 -24.621 -14.939 1.00 12.33 H new ATOM 0 HZ1 LYS A 26 -7.455 -26.651 -15.089 1.00 24.22 H new ATOM 0 HZ2 LYS A 26 -6.622 -25.380 -15.847 1.00 24.22 H new ATOM 0 HZ3 LYS A 26 -6.135 -25.918 -14.311 1.00 24.22 H new ATOM 403 N SER A 27 -6.269 -18.860 -11.753 1.00 11.51 N ATOM 404 CA SER A 27 -5.934 -17.524 -12.233 1.00 1.01 C ATOM 405 C SER A 27 -6.721 -16.460 -11.473 1.00 61.43 C ATOM 406 O SER A 27 -7.103 -15.434 -12.035 1.00 53.15 O ATOM 407 CB SER A 27 -6.218 -17.412 -13.732 1.00 11.51 C ATOM 408 OG SER A 27 -5.520 -16.319 -14.303 1.00 2.42 O ATOM 0 H SER A 27 -7.188 -18.933 -11.317 1.00 11.51 H new ATOM 0 HA SER A 27 -4.871 -17.358 -12.059 1.00 1.01 H new ATOM 0 HB2 SER A 27 -5.924 -18.336 -14.231 1.00 11.51 H new ATOM 0 HB3 SER A 27 -7.289 -17.288 -13.894 1.00 11.51 H new ATOM 0 HG SER A 27 -5.728 -15.501 -13.804 1.00 2.42 H new ATOM 414 N LYS A 28 -6.960 -16.713 -10.191 1.00 24.41 N ATOM 415 CA LYS A 28 -7.700 -15.779 -9.351 1.00 63.01 C ATOM 416 C LYS A 28 -6.797 -14.648 -8.870 1.00 10.34 C ATOM 417 O LYS A 28 -6.168 -14.747 -7.816 1.00 14.34 O ATOM 418 CB LYS A 28 -8.304 -16.510 -8.150 1.00 54.31 C ATOM 419 CG LYS A 28 -9.577 -17.271 -8.479 1.00 22.12 C ATOM 420 CD LYS A 28 -9.550 -18.677 -7.903 1.00 61.01 C ATOM 421 CE LYS A 28 -9.317 -19.719 -8.987 1.00 11.33 C ATOM 422 NZ LYS A 28 -10.530 -20.547 -9.229 1.00 74.43 N ATOM 0 H LYS A 28 -6.652 -17.558 -9.710 1.00 24.41 H new ATOM 0 HA LYS A 28 -8.504 -15.349 -9.949 1.00 63.01 H new ATOM 0 HB2 LYS A 28 -7.567 -17.207 -7.751 1.00 54.31 H new ATOM 0 HB3 LYS A 28 -8.516 -15.786 -7.364 1.00 54.31 H new ATOM 0 HG2 LYS A 28 -10.437 -16.731 -8.084 1.00 22.12 H new ATOM 0 HG3 LYS A 28 -9.702 -17.322 -9.561 1.00 22.12 H new ATOM 0 HD2 LYS A 28 -8.763 -18.749 -7.153 1.00 61.01 H new ATOM 0 HD3 LYS A 28 -10.493 -18.882 -7.396 1.00 61.01 H new ATOM 0 HE2 LYS A 28 -9.026 -19.222 -9.912 1.00 11.33 H new ATOM 0 HE3 LYS A 28 -8.488 -20.365 -8.698 1.00 11.33 H new ATOM 0 HZ1 LYS A 28 -10.331 -21.245 -9.974 1.00 74.43 H new ATOM 0 HZ2 LYS A 28 -10.793 -21.042 -8.353 1.00 74.43 H new ATOM 0 HZ3 LYS A 28 -11.314 -19.934 -9.530 1.00 74.43 H new ATOM 436 N LYS A 29 -6.738 -13.572 -9.647 1.00 72.03 N ATOM 437 CA LYS A 29 -5.915 -12.420 -9.300 1.00 1.04 C ATOM 438 C LYS A 29 -6.749 -11.342 -8.614 1.00 22.41 C ATOM 439 O LYS A 29 -7.976 -11.338 -8.710 1.00 33.52 O ATOM 440 CB LYS A 29 -5.250 -11.845 -10.553 1.00 34.23 C ATOM 441 CG LYS A 29 -6.239 -11.311 -11.575 1.00 22.41 C ATOM 442 CD LYS A 29 -6.168 -12.089 -12.878 1.00 62.13 C ATOM 443 CE LYS A 29 -7.529 -12.173 -13.552 1.00 62.11 C ATOM 444 NZ LYS A 29 -7.455 -11.824 -14.998 1.00 5.32 N ATOM 0 H LYS A 29 -7.251 -13.474 -10.523 1.00 72.03 H new ATOM 0 HA LYS A 29 -5.142 -12.753 -8.607 1.00 1.04 H new ATOM 0 HB2 LYS A 29 -4.574 -11.042 -10.260 1.00 34.23 H new ATOM 0 HB3 LYS A 29 -4.641 -12.620 -11.019 1.00 34.23 H new ATOM 0 HG2 LYS A 29 -7.249 -11.369 -11.170 1.00 22.41 H new ATOM 0 HG3 LYS A 29 -6.033 -10.258 -11.767 1.00 22.41 H new ATOM 0 HD2 LYS A 29 -5.457 -11.610 -13.551 1.00 62.13 H new ATOM 0 HD3 LYS A 29 -5.795 -13.094 -12.683 1.00 62.13 H new ATOM 0 HE2 LYS A 29 -7.927 -13.182 -13.442 1.00 62.11 H new ATOM 0 HE3 LYS A 29 -8.224 -11.500 -13.051 1.00 62.11 H new ATOM 0 HZ1 LYS A 29 -8.403 -11.893 -15.421 1.00 5.32 H new ATOM 0 HZ2 LYS A 29 -7.099 -10.852 -15.103 1.00 5.32 H new ATOM 0 HZ3 LYS A 29 -6.811 -12.482 -15.482 1.00 5.32 H new ATOM 458 N PHE A 30 -6.075 -10.429 -7.923 1.00 44.14 N ATOM 459 CA PHE A 30 -6.754 -9.346 -7.222 1.00 42.41 C ATOM 460 C PHE A 30 -7.162 -8.241 -8.193 1.00 22.04 C ATOM 461 O PHE A 30 -6.955 -8.353 -9.400 1.00 74.12 O ATOM 462 CB PHE A 30 -5.850 -8.771 -6.129 1.00 60.51 C ATOM 463 CG PHE A 30 -5.785 -9.625 -4.895 1.00 73.20 C ATOM 464 CD1 PHE A 30 -6.942 -9.977 -4.219 1.00 34.12 C ATOM 465 CD2 PHE A 30 -4.568 -10.076 -4.412 1.00 22.25 C ATOM 466 CE1 PHE A 30 -6.885 -10.762 -3.083 1.00 15.15 C ATOM 467 CE2 PHE A 30 -4.505 -10.862 -3.276 1.00 3.31 C ATOM 468 CZ PHE A 30 -5.665 -11.206 -2.611 1.00 54.32 C ATOM 0 H PHE A 30 -5.059 -10.418 -7.834 1.00 44.14 H new ATOM 0 HA PHE A 30 -7.655 -9.753 -6.762 1.00 42.41 H new ATOM 0 HB2 PHE A 30 -4.844 -8.647 -6.529 1.00 60.51 H new ATOM 0 HB3 PHE A 30 -6.209 -7.779 -5.856 1.00 60.51 H new ATOM 0 HD1 PHE A 30 -7.899 -9.634 -4.584 1.00 34.12 H new ATOM 0 HD2 PHE A 30 -3.657 -9.811 -4.929 1.00 22.25 H new ATOM 0 HE1 PHE A 30 -7.794 -11.028 -2.564 1.00 15.15 H new ATOM 0 HE2 PHE A 30 -3.549 -11.206 -2.909 1.00 3.31 H new ATOM 0 HZ PHE A 30 -5.619 -11.821 -1.724 1.00 54.32 H new ATOM 478 N GLY A 31 -7.743 -7.173 -7.654 1.00 73.23 N ATOM 479 CA GLY A 31 -8.172 -6.064 -8.486 1.00 11.23 C ATOM 480 C GLY A 31 -8.203 -4.750 -7.729 1.00 63.54 C ATOM 481 O GLY A 31 -8.087 -4.730 -6.505 1.00 31.14 O ATOM 0 H GLY A 31 -7.924 -7.056 -6.657 1.00 73.23 H new ATOM 0 HA2 GLY A 31 -7.500 -5.973 -9.339 1.00 11.23 H new ATOM 0 HA3 GLY A 31 -9.165 -6.275 -8.883 1.00 11.23 H new ATOM 485 N GLU A 32 -8.357 -3.651 -8.461 1.00 71.41 N ATOM 486 CA GLU A 32 -8.400 -2.328 -7.851 1.00 4.24 C ATOM 487 C GLU A 32 -9.495 -2.252 -6.791 1.00 74.23 C ATOM 488 O GLU A 32 -9.277 -1.745 -5.692 1.00 31.52 O ATOM 489 CB GLU A 32 -8.632 -1.257 -8.918 1.00 52.42 C ATOM 490 CG GLU A 32 -9.846 -1.522 -9.792 1.00 72.15 C ATOM 491 CD GLU A 32 -9.948 -0.557 -10.958 1.00 30.41 C ATOM 492 OE1 GLU A 32 -8.919 0.053 -11.315 1.00 71.13 O ATOM 493 OE2 GLU A 32 -11.058 -0.413 -11.513 1.00 23.42 O ATOM 0 H GLU A 32 -8.454 -3.651 -9.476 1.00 71.41 H new ATOM 0 HA GLU A 32 -7.439 -2.148 -7.369 1.00 4.24 H new ATOM 0 HB2 GLU A 32 -8.750 -0.290 -8.430 1.00 52.42 H new ATOM 0 HB3 GLU A 32 -7.747 -1.189 -9.551 1.00 52.42 H new ATOM 0 HG2 GLU A 32 -9.799 -2.542 -10.173 1.00 72.15 H new ATOM 0 HG3 GLU A 32 -10.749 -1.449 -9.185 1.00 72.15 H new ATOM 500 N GLY A 33 -10.676 -2.760 -7.132 1.00 71.11 N ATOM 501 CA GLY A 33 -11.789 -2.740 -6.201 1.00 0.10 C ATOM 502 C GLY A 33 -11.461 -3.428 -4.891 1.00 10.55 C ATOM 503 O GLY A 33 -11.814 -2.937 -3.819 1.00 43.51 O ATOM 0 H GLY A 33 -10.881 -3.185 -8.036 1.00 71.11 H new ATOM 0 HA2 GLY A 33 -12.075 -1.707 -6.004 1.00 0.10 H new ATOM 0 HA3 GLY A 33 -12.650 -3.227 -6.658 1.00 0.10 H new ATOM 507 N ASN A 34 -10.785 -4.569 -4.976 1.00 11.32 N ATOM 508 CA ASN A 34 -10.411 -5.326 -3.787 1.00 35.41 C ATOM 509 C ASN A 34 -9.480 -4.513 -2.894 1.00 13.55 C ATOM 510 O ASN A 34 -9.716 -4.377 -1.693 1.00 11.03 O ATOM 511 CB ASN A 34 -9.735 -6.640 -4.185 1.00 52.34 C ATOM 512 CG ASN A 34 -10.727 -7.776 -4.343 1.00 61.10 C ATOM 513 OD1 ASN A 34 -11.280 -8.273 -3.362 1.00 2.14 O ATOM 514 ND2 ASN A 34 -10.956 -8.193 -5.583 1.00 33.33 N ATOM 0 H ASN A 34 -10.485 -4.990 -5.856 1.00 11.32 H new ATOM 0 HA ASN A 34 -11.320 -5.547 -3.228 1.00 35.41 H new ATOM 0 HB2 ASN A 34 -9.196 -6.499 -5.122 1.00 52.34 H new ATOM 0 HB3 ASN A 34 -8.996 -6.909 -3.430 1.00 52.34 H new ATOM 0 HD21 ASN A 34 -11.613 -8.955 -5.752 1.00 33.33 H new ATOM 0 HD22 ASN A 34 -10.475 -7.752 -6.367 1.00 33.33 H new ATOM 521 N PHE A 35 -8.422 -3.972 -3.488 1.00 62.10 N ATOM 522 CA PHE A 35 -7.454 -3.172 -2.747 1.00 13.44 C ATOM 523 C PHE A 35 -8.138 -1.997 -2.053 1.00 40.33 C ATOM 524 O PHE A 35 -7.744 -1.594 -0.959 1.00 14.33 O ATOM 525 CB PHE A 35 -6.360 -2.658 -3.685 1.00 22.25 C ATOM 526 CG PHE A 35 -5.735 -3.736 -4.523 1.00 62.22 C ATOM 527 CD1 PHE A 35 -5.364 -4.945 -3.957 1.00 22.21 C ATOM 528 CD2 PHE A 35 -5.519 -3.541 -5.878 1.00 2.23 C ATOM 529 CE1 PHE A 35 -4.788 -5.938 -4.726 1.00 62.33 C ATOM 530 CE2 PHE A 35 -4.944 -4.531 -6.652 1.00 45.43 C ATOM 531 CZ PHE A 35 -4.579 -5.731 -6.076 1.00 25.32 C ATOM 0 H PHE A 35 -8.213 -4.073 -4.481 1.00 62.10 H new ATOM 0 HA PHE A 35 -7.001 -3.808 -1.986 1.00 13.44 H new ATOM 0 HB2 PHE A 35 -6.783 -1.898 -4.342 1.00 22.25 H new ATOM 0 HB3 PHE A 35 -5.584 -2.172 -3.094 1.00 22.25 H new ATOM 0 HD1 PHE A 35 -5.527 -5.113 -2.903 1.00 22.21 H new ATOM 0 HD2 PHE A 35 -5.803 -2.604 -6.334 1.00 2.23 H new ATOM 0 HE1 PHE A 35 -4.501 -6.875 -4.272 1.00 62.33 H new ATOM 0 HE2 PHE A 35 -4.780 -4.366 -7.707 1.00 45.43 H new ATOM 0 HZ PHE A 35 -4.131 -6.507 -6.679 1.00 25.32 H new ATOM 541 N ARG A 36 -9.164 -1.452 -2.699 1.00 45.43 N ATOM 542 CA ARG A 36 -9.901 -0.322 -2.147 1.00 32.03 C ATOM 543 C ARG A 36 -10.603 -0.713 -0.850 1.00 32.44 C ATOM 544 O ARG A 36 -10.450 -0.049 0.175 1.00 12.22 O ATOM 545 CB ARG A 36 -10.927 0.189 -3.160 1.00 1.50 C ATOM 546 CG ARG A 36 -10.309 0.670 -4.463 1.00 3.03 C ATOM 547 CD ARG A 36 -10.216 2.187 -4.509 1.00 5.22 C ATOM 548 NE ARG A 36 -11.075 2.757 -5.542 1.00 55.25 N ATOM 549 CZ ARG A 36 -10.926 3.984 -6.029 1.00 3.23 C ATOM 550 NH1 ARG A 36 -9.954 4.766 -5.578 1.00 33.34 N ATOM 551 NH2 ARG A 36 -11.749 4.432 -6.969 1.00 25.34 N ATOM 0 H ARG A 36 -9.503 -1.775 -3.605 1.00 45.43 H new ATOM 0 HA ARG A 36 -9.188 0.473 -1.929 1.00 32.03 H new ATOM 0 HB2 ARG A 36 -11.638 -0.608 -3.377 1.00 1.50 H new ATOM 0 HB3 ARG A 36 -11.491 1.007 -2.712 1.00 1.50 H new ATOM 0 HG2 ARG A 36 -9.314 0.240 -4.575 1.00 3.03 H new ATOM 0 HG3 ARG A 36 -10.906 0.315 -5.303 1.00 3.03 H new ATOM 0 HD2 ARG A 36 -10.496 2.597 -3.538 1.00 5.22 H new ATOM 0 HD3 ARG A 36 -9.183 2.481 -4.694 1.00 5.22 H new ATOM 0 HE ARG A 36 -11.832 2.181 -5.911 1.00 55.25 H new ATOM 0 HH11 ARG A 36 -9.319 4.426 -4.856 1.00 33.34 H new ATOM 0 HH12 ARG A 36 -9.841 5.708 -5.953 1.00 33.34 H new ATOM 0 HH21 ARG A 36 -12.498 3.834 -7.319 1.00 25.34 H new ATOM 0 HH22 ARG A 36 -11.633 5.374 -7.342 1.00 25.34 H new ATOM 565 N TRP A 37 -11.373 -1.794 -0.903 1.00 23.53 N ATOM 566 CA TRP A 37 -12.099 -2.274 0.268 1.00 43.20 C ATOM 567 C TRP A 37 -11.150 -2.510 1.438 1.00 50.11 C ATOM 568 O TRP A 37 -11.479 -2.212 2.586 1.00 73.23 O ATOM 569 CB TRP A 37 -12.849 -3.564 -0.065 1.00 20.41 C ATOM 570 CG TRP A 37 -13.475 -4.213 1.132 1.00 30.24 C ATOM 571 CD1 TRP A 37 -14.770 -4.088 1.549 1.00 24.41 C ATOM 572 CD2 TRP A 37 -12.833 -5.086 2.068 1.00 63.10 C ATOM 573 NE1 TRP A 37 -14.971 -4.831 2.687 1.00 22.25 N ATOM 574 CE2 TRP A 37 -13.798 -5.453 3.026 1.00 73.43 C ATOM 575 CE3 TRP A 37 -11.537 -5.595 2.189 1.00 41.11 C ATOM 576 CZ2 TRP A 37 -13.506 -6.304 4.088 1.00 31.14 C ATOM 577 CZ3 TRP A 37 -11.248 -6.439 3.244 1.00 14.24 C ATOM 578 CH2 TRP A 37 -12.229 -6.787 4.182 1.00 33.34 C ATOM 0 H TRP A 37 -11.511 -2.355 -1.744 1.00 23.53 H new ATOM 0 HA TRP A 37 -12.819 -1.508 0.557 1.00 43.20 H new ATOM 0 HB2 TRP A 37 -13.625 -3.346 -0.798 1.00 20.41 H new ATOM 0 HB3 TRP A 37 -12.159 -4.267 -0.531 1.00 20.41 H new ATOM 0 HD1 TRP A 37 -15.525 -3.493 1.057 1.00 24.41 H new ATOM 0 HE1 TRP A 37 -15.851 -4.907 3.197 1.00 22.25 H new ATOM 0 HE3 TRP A 37 -10.775 -5.333 1.470 1.00 41.11 H new ATOM 0 HZ2 TRP A 37 -14.260 -6.574 4.812 1.00 31.14 H new ATOM 0 HZ3 TRP A 37 -10.249 -6.837 3.347 1.00 14.24 H new ATOM 0 HH2 TRP A 37 -11.972 -7.450 4.995 1.00 33.34 H new ATOM 589 N ALA A 38 -9.971 -3.046 1.139 1.00 33.35 N ATOM 590 CA ALA A 38 -8.974 -3.320 2.167 1.00 13.10 C ATOM 591 C ALA A 38 -8.370 -2.027 2.703 1.00 3.14 C ATOM 592 O ALA A 38 -8.494 -1.718 3.889 1.00 25.00 O ATOM 593 CB ALA A 38 -7.883 -4.226 1.616 1.00 74.11 C ATOM 0 H ALA A 38 -9.683 -3.299 0.194 1.00 33.35 H new ATOM 0 HA ALA A 38 -9.470 -3.829 2.993 1.00 13.10 H new ATOM 0 HB1 ALA A 38 -7.145 -4.422 2.394 1.00 74.11 H new ATOM 0 HB2 ALA A 38 -8.323 -5.167 1.288 1.00 74.11 H new ATOM 0 HB3 ALA A 38 -7.397 -3.738 0.771 1.00 74.11 H new ATOM 599 N ILE A 39 -7.716 -1.276 1.824 1.00 4.31 N ATOM 600 CA ILE A 39 -7.092 -0.016 2.210 1.00 13.03 C ATOM 601 C ILE A 39 -8.080 0.884 2.945 1.00 74.23 C ATOM 602 O ILE A 39 -7.833 1.301 4.076 1.00 32.34 O ATOM 603 CB ILE A 39 -6.541 0.738 0.986 1.00 42.02 C ATOM 604 CG1 ILE A 39 -5.510 -0.122 0.252 1.00 5.31 C ATOM 605 CG2 ILE A 39 -5.927 2.063 1.412 1.00 1.11 C ATOM 606 CD1 ILE A 39 -5.290 0.293 -1.186 1.00 0.42 C ATOM 0 H ILE A 39 -7.604 -1.518 0.839 1.00 4.31 H new ATOM 0 HA ILE A 39 -6.265 -0.264 2.876 1.00 13.03 H new ATOM 0 HB ILE A 39 -7.365 0.945 0.304 1.00 42.02 H new ATOM 0 HG12 ILE A 39 -4.561 -0.071 0.785 1.00 5.31 H new ATOM 0 HG13 ILE A 39 -5.834 -1.163 0.276 1.00 5.31 H new ATOM 0 HG21 ILE A 39 -5.542 2.584 0.535 1.00 1.11 H new ATOM 0 HG22 ILE A 39 -6.687 2.678 1.895 1.00 1.11 H new ATOM 0 HG23 ILE A 39 -5.112 1.878 2.111 1.00 1.11 H new ATOM 0 HD11 ILE A 39 -4.547 -0.360 -1.644 1.00 0.42 H new ATOM 0 HD12 ILE A 39 -6.229 0.215 -1.735 1.00 0.42 H new ATOM 0 HD13 ILE A 39 -4.936 1.323 -1.217 1.00 0.42 H new ATOM 618 N ARG A 40 -9.201 1.178 2.294 1.00 71.12 N ATOM 619 CA ARG A 40 -10.228 2.028 2.885 1.00 25.21 C ATOM 620 C ARG A 40 -10.617 1.525 4.272 1.00 74.41 C ATOM 621 O ARG A 40 -10.625 2.285 5.239 1.00 3.24 O ATOM 622 CB ARG A 40 -11.462 2.076 1.983 1.00 41.02 C ATOM 623 CG ARG A 40 -11.248 2.862 0.699 1.00 21.15 C ATOM 624 CD ARG A 40 -12.513 3.591 0.275 1.00 11.12 C ATOM 625 NE ARG A 40 -13.000 3.132 -1.023 1.00 11.31 N ATOM 626 CZ ARG A 40 -12.508 3.553 -2.183 1.00 32.11 C ATOM 627 NH1 ARG A 40 -11.520 4.437 -2.206 1.00 73.13 N ATOM 628 NH2 ARG A 40 -13.004 3.089 -3.323 1.00 32.33 N ATOM 0 H ARG A 40 -9.421 0.840 1.357 1.00 71.12 H new ATOM 0 HA ARG A 40 -9.820 3.034 2.983 1.00 25.21 H new ATOM 0 HB2 ARG A 40 -11.757 1.057 1.731 1.00 41.02 H new ATOM 0 HB3 ARG A 40 -12.289 2.519 2.537 1.00 41.02 H new ATOM 0 HG2 ARG A 40 -10.442 3.582 0.842 1.00 21.15 H new ATOM 0 HG3 ARG A 40 -10.933 2.185 -0.095 1.00 21.15 H new ATOM 0 HD2 ARG A 40 -13.288 3.440 1.027 1.00 11.12 H new ATOM 0 HD3 ARG A 40 -12.316 4.662 0.230 1.00 11.12 H new ATOM 0 HE ARG A 40 -13.759 2.451 -1.040 1.00 11.31 H new ATOM 0 HH11 ARG A 40 -11.136 4.795 -1.332 1.00 73.13 H new ATOM 0 HH12 ARG A 40 -11.144 4.759 -3.098 1.00 73.13 H new ATOM 0 HH21 ARG A 40 -13.764 2.409 -3.309 1.00 32.33 H new ATOM 0 HH22 ARG A 40 -12.626 3.413 -4.213 1.00 32.33 H new ATOM 642 N MET A 41 -10.941 0.239 4.360 1.00 72.32 N ATOM 643 CA MET A 41 -11.331 -0.366 5.628 1.00 15.32 C ATOM 644 C MET A 41 -10.297 -0.074 6.710 1.00 23.45 C ATOM 645 O MET A 41 -10.637 0.071 7.884 1.00 23.42 O ATOM 646 CB MET A 41 -11.505 -1.877 5.466 1.00 62.14 C ATOM 647 CG MET A 41 -11.803 -2.598 6.770 1.00 65.50 C ATOM 648 SD MET A 41 -13.252 -3.665 6.658 1.00 22.45 S ATOM 649 CE MET A 41 -13.773 -3.709 8.372 1.00 63.14 C ATOM 0 H MET A 41 -10.941 -0.404 3.568 1.00 72.32 H new ATOM 0 HA MET A 41 -12.282 0.070 5.932 1.00 15.32 H new ATOM 0 HB2 MET A 41 -12.315 -2.068 4.762 1.00 62.14 H new ATOM 0 HB3 MET A 41 -10.598 -2.294 5.029 1.00 62.14 H new ATOM 0 HG2 MET A 41 -10.938 -3.196 7.056 1.00 65.50 H new ATOM 0 HG3 MET A 41 -11.958 -1.863 7.560 1.00 65.50 H new ATOM 0 HE1 MET A 41 -14.662 -4.332 8.466 1.00 63.14 H new ATOM 0 HE2 MET A 41 -12.973 -4.124 8.985 1.00 63.14 H new ATOM 0 HE3 MET A 41 -14.001 -2.698 8.709 1.00 63.14 H new ATOM 659 N ALA A 42 -9.033 0.010 6.307 1.00 31.44 N ATOM 660 CA ALA A 42 -7.950 0.285 7.243 1.00 43.32 C ATOM 661 C ALA A 42 -8.045 1.705 7.791 1.00 54.23 C ATOM 662 O ALA A 42 -8.071 1.912 9.003 1.00 10.20 O ATOM 663 CB ALA A 42 -6.603 0.067 6.570 1.00 62.05 C ATOM 0 H ALA A 42 -8.734 -0.108 5.339 1.00 31.44 H new ATOM 0 HA ALA A 42 -8.042 -0.407 8.080 1.00 43.32 H new ATOM 0 HB1 ALA A 42 -5.803 0.276 7.280 1.00 62.05 H new ATOM 0 HB2 ALA A 42 -6.528 -0.967 6.233 1.00 62.05 H new ATOM 0 HB3 ALA A 42 -6.512 0.735 5.714 1.00 62.05 H new ATOM 669 N ASN A 43 -8.097 2.680 6.889 1.00 53.21 N ATOM 670 CA ASN A 43 -8.189 4.081 7.283 1.00 42.52 C ATOM 671 C ASN A 43 -9.368 4.306 8.225 1.00 62.22 C ATOM 672 O ASN A 43 -9.333 5.190 9.081 1.00 51.14 O ATOM 673 CB ASN A 43 -8.332 4.972 6.047 1.00 74.11 C ATOM 674 CG ASN A 43 -6.999 5.262 5.385 1.00 31.20 C ATOM 675 OD1 ASN A 43 -5.941 4.951 5.932 1.00 32.25 O ATOM 676 ND2 ASN A 43 -7.045 5.861 4.201 1.00 65.12 N ATOM 0 H ASN A 43 -8.077 2.526 5.881 1.00 53.21 H new ATOM 0 HA ASN A 43 -7.272 4.345 7.809 1.00 42.52 H new ATOM 0 HB2 ASN A 43 -8.994 4.488 5.328 1.00 74.11 H new ATOM 0 HB3 ASN A 43 -8.805 5.912 6.333 1.00 74.11 H new ATOM 0 HD21 ASN A 43 -6.180 6.082 3.707 1.00 65.12 H new ATOM 0 HD22 ASN A 43 -7.945 6.101 3.785 1.00 65.12 H new ATOM 683 N VAL A 44 -10.411 3.498 8.061 1.00 1.24 N ATOM 684 CA VAL A 44 -11.600 3.607 8.898 1.00 72.23 C ATOM 685 C VAL A 44 -11.410 2.875 10.221 1.00 21.33 C ATOM 686 O VAL A 44 -11.490 3.476 11.292 1.00 15.13 O ATOM 687 CB VAL A 44 -12.842 3.040 8.184 1.00 1.00 C ATOM 688 CG1 VAL A 44 -14.069 3.154 9.076 1.00 40.15 C ATOM 689 CG2 VAL A 44 -13.067 3.754 6.860 1.00 63.34 C ATOM 0 H VAL A 44 -10.457 2.761 7.357 1.00 1.24 H new ATOM 0 HA VAL A 44 -11.754 4.668 9.093 1.00 72.23 H new ATOM 0 HB VAL A 44 -12.670 1.984 7.976 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -14.936 2.749 8.555 1.00 40.15 H new ATOM 0 HG12 VAL A 44 -13.903 2.593 9.996 1.00 40.15 H new ATOM 0 HG13 VAL A 44 -14.248 4.202 9.317 1.00 40.15 H new ATOM 0 HG21 VAL A 44 -13.948 3.341 6.369 1.00 63.34 H new ATOM 0 HG22 VAL A 44 -13.218 4.818 7.042 1.00 63.34 H new ATOM 0 HG23 VAL A 44 -12.196 3.615 6.219 1.00 63.34 H new ATOM 699 N SER A 45 -11.157 1.572 10.140 1.00 45.41 N ATOM 700 CA SER A 45 -10.958 0.756 11.332 1.00 43.41 C ATOM 701 C SER A 45 -9.904 1.376 12.245 1.00 64.44 C ATOM 702 O SER A 45 -10.039 1.363 13.469 1.00 71.44 O ATOM 703 CB SER A 45 -10.540 -0.662 10.941 1.00 60.44 C ATOM 704 OG SER A 45 -11.567 -1.314 10.214 1.00 70.32 O ATOM 0 H SER A 45 -11.085 1.059 9.261 1.00 45.41 H new ATOM 0 HA SER A 45 -11.903 0.712 11.874 1.00 43.41 H new ATOM 0 HB2 SER A 45 -9.632 -0.624 10.339 1.00 60.44 H new ATOM 0 HB3 SER A 45 -10.304 -1.235 11.838 1.00 60.44 H new ATOM 0 HG SER A 45 -11.626 -0.930 9.314 1.00 70.32 H new ATOM 710 N THR A 46 -8.851 1.918 11.640 1.00 54.51 N ATOM 711 CA THR A 46 -7.773 2.542 12.396 1.00 23.11 C ATOM 712 C THR A 46 -8.120 3.980 12.765 1.00 23.55 C ATOM 713 O THR A 46 -7.600 4.523 13.739 1.00 14.23 O ATOM 714 CB THR A 46 -6.452 2.532 11.603 1.00 31.02 C ATOM 715 OG1 THR A 46 -6.548 3.415 10.480 1.00 14.11 O ATOM 716 CG2 THR A 46 -6.120 1.127 11.123 1.00 4.32 C ATOM 0 H THR A 46 -8.722 1.937 10.628 1.00 54.51 H new ATOM 0 HA THR A 46 -7.646 1.957 13.307 1.00 23.11 H new ATOM 0 HB THR A 46 -5.654 2.871 12.264 1.00 31.02 H new ATOM 0 HG1 THR A 46 -7.107 3.004 9.788 1.00 14.11 H new ATOM 0 HG21 THR A 46 -5.183 1.145 10.566 1.00 4.32 H new ATOM 0 HG22 THR A 46 -6.019 0.464 11.982 1.00 4.32 H new ATOM 0 HG23 THR A 46 -6.920 0.765 10.477 1.00 4.32 H new ATOM 724 N GLY A 47 -9.002 4.591 11.981 1.00 33.11 N ATOM 725 CA GLY A 47 -9.404 5.961 12.243 1.00 21.40 C ATOM 726 C GLY A 47 -10.870 6.202 11.943 1.00 10.34 C ATOM 727 O GLY A 47 -11.729 5.984 12.798 1.00 52.23 O ATOM 0 H GLY A 47 -9.446 4.162 11.169 1.00 33.11 H new ATOM 0 HA2 GLY A 47 -9.206 6.201 13.288 1.00 21.40 H new ATOM 0 HA3 GLY A 47 -8.797 6.636 11.640 1.00 21.40 H new ATOM 731 N ARG A 48 -11.157 6.656 10.727 1.00 20.45 N ATOM 732 CA ARG A 48 -12.529 6.930 10.319 1.00 52.04 C ATOM 733 C ARG A 48 -12.578 7.422 8.875 1.00 12.41 C ATOM 734 O ARG A 48 -11.844 8.334 8.495 1.00 12.15 O ATOM 735 CB ARG A 48 -13.162 7.970 11.245 1.00 3.11 C ATOM 736 CG ARG A 48 -14.477 7.519 11.859 1.00 51.33 C ATOM 737 CD ARG A 48 -15.375 8.703 12.182 1.00 34.13 C ATOM 738 NE ARG A 48 -15.789 8.709 13.583 1.00 51.31 N ATOM 739 CZ ARG A 48 -16.705 9.536 14.075 1.00 73.22 C ATOM 740 NH1 ARG A 48 -17.300 10.418 13.284 1.00 75.33 N ATOM 741 NH2 ARG A 48 -17.028 9.481 15.361 1.00 72.23 N ATOM 0 H ARG A 48 -10.458 6.842 10.008 1.00 20.45 H new ATOM 0 HA ARG A 48 -13.094 6.001 10.388 1.00 52.04 H new ATOM 0 HB2 ARG A 48 -12.460 8.207 12.044 1.00 3.11 H new ATOM 0 HB3 ARG A 48 -13.329 8.890 10.684 1.00 3.11 H new ATOM 0 HG2 ARG A 48 -14.991 6.848 11.170 1.00 51.33 H new ATOM 0 HG3 ARG A 48 -14.280 6.952 12.769 1.00 51.33 H new ATOM 0 HD2 ARG A 48 -14.848 9.630 11.956 1.00 34.13 H new ATOM 0 HD3 ARG A 48 -16.258 8.674 11.543 1.00 34.13 H new ATOM 0 HE ARG A 48 -15.351 8.042 14.218 1.00 51.31 H new ATOM 0 HH11 ARG A 48 -17.055 10.463 12.295 1.00 75.33 H new ATOM 0 HH12 ARG A 48 -18.003 11.052 13.665 1.00 75.33 H new ATOM 0 HH21 ARG A 48 -16.573 8.803 15.973 1.00 72.23 H new ATOM 0 HH22 ARG A 48 -17.731 10.116 15.738 1.00 72.23 H new ATOM 755 N GLU A 49 -13.448 6.812 8.076 1.00 23.31 N ATOM 756 CA GLU A 49 -13.591 7.188 6.674 1.00 24.45 C ATOM 757 C GLU A 49 -12.297 6.931 5.908 1.00 65.14 C ATOM 758 O GLU A 49 -11.216 6.809 6.486 1.00 74.22 O ATOM 759 CB GLU A 49 -13.982 8.662 6.556 1.00 14.03 C ATOM 760 CG GLU A 49 -15.450 8.877 6.226 1.00 43.34 C ATOM 761 CD GLU A 49 -16.086 9.960 7.075 1.00 14.02 C ATOM 762 OE1 GLU A 49 -15.994 9.870 8.317 1.00 24.14 O ATOM 763 OE2 GLU A 49 -16.677 10.897 6.499 1.00 73.35 O ATOM 0 H GLU A 49 -14.064 6.056 8.375 1.00 23.31 H new ATOM 0 HA GLU A 49 -14.379 6.574 6.238 1.00 24.45 H new ATOM 0 HB2 GLU A 49 -13.751 9.167 7.494 1.00 14.03 H new ATOM 0 HB3 GLU A 49 -13.372 9.130 5.784 1.00 14.03 H new ATOM 0 HG2 GLU A 49 -15.547 9.142 5.173 1.00 43.34 H new ATOM 0 HG3 GLU A 49 -15.992 7.942 6.370 1.00 43.34 H new ATOM 770 N PRO A 50 -12.407 6.846 4.574 1.00 43.25 N ATOM 771 CA PRO A 50 -11.256 6.603 3.698 1.00 13.11 C ATOM 772 C PRO A 50 -10.308 7.796 3.642 1.00 31.02 C ATOM 773 O PRO A 50 -9.096 7.645 3.790 1.00 51.43 O ATOM 774 CB PRO A 50 -11.897 6.365 2.329 1.00 60.45 C ATOM 775 CG PRO A 50 -13.200 7.083 2.390 1.00 54.33 C ATOM 776 CD PRO A 50 -13.663 6.982 3.817 1.00 63.30 C ATOM 0 HA PRO A 50 -10.645 5.771 4.049 1.00 13.11 H new ATOM 0 HB2 PRO A 50 -11.270 6.751 1.526 1.00 60.45 H new ATOM 0 HB3 PRO A 50 -12.040 5.301 2.138 1.00 60.45 H new ATOM 0 HG2 PRO A 50 -13.086 8.125 2.090 1.00 54.33 H new ATOM 0 HG3 PRO A 50 -13.925 6.633 1.712 1.00 54.33 H new ATOM 0 HD2 PRO A 50 -14.222 7.867 4.122 1.00 63.30 H new ATOM 0 HD3 PRO A 50 -14.318 6.124 3.967 1.00 63.30 H new ATOM 784 N GLY A 51 -10.869 8.983 3.428 1.00 22.43 N ATOM 785 CA GLY A 51 -10.058 10.184 3.357 1.00 11.12 C ATOM 786 C GLY A 51 -9.163 10.208 2.134 1.00 30.01 C ATOM 787 O GLY A 51 -9.543 10.736 1.089 1.00 62.02 O ATOM 0 H GLY A 51 -11.870 9.134 3.303 1.00 22.43 H new ATOM 0 HA2 GLY A 51 -10.709 11.058 3.344 1.00 11.12 H new ATOM 0 HA3 GLY A 51 -9.444 10.257 4.254 1.00 11.12 H new ATOM 791 N ASP A 52 -7.971 9.637 2.264 1.00 21.52 N ATOM 792 CA ASP A 52 -7.018 9.595 1.161 1.00 74.23 C ATOM 793 C ASP A 52 -6.143 8.349 1.246 1.00 63.44 C ATOM 794 O ASP A 52 -6.386 7.462 2.065 1.00 42.11 O ATOM 795 CB ASP A 52 -6.144 10.849 1.166 1.00 3.42 C ATOM 796 CG ASP A 52 -6.196 11.597 -0.152 1.00 5.14 C ATOM 797 OD1 ASP A 52 -5.529 11.156 -1.110 1.00 64.44 O ATOM 798 OD2 ASP A 52 -6.902 12.624 -0.224 1.00 14.40 O ATOM 0 H ASP A 52 -7.641 9.196 3.123 1.00 21.52 H new ATOM 0 HA ASP A 52 -7.581 9.558 0.228 1.00 74.23 H new ATOM 0 HB2 ASP A 52 -6.468 11.511 1.969 1.00 3.42 H new ATOM 0 HB3 ASP A 52 -5.113 10.569 1.381 1.00 3.42 H new ATOM 803 N ILE A 53 -5.125 8.288 0.394 1.00 62.13 N ATOM 804 CA ILE A 53 -4.213 7.151 0.373 1.00 75.50 C ATOM 805 C ILE A 53 -2.806 7.567 0.785 1.00 25.41 C ATOM 806 O ILE A 53 -2.414 8.728 0.665 1.00 73.21 O ATOM 807 CB ILE A 53 -4.157 6.500 -1.022 1.00 22.12 C ATOM 808 CG1 ILE A 53 -4.035 7.574 -2.105 1.00 30.21 C ATOM 809 CG2 ILE A 53 -5.391 5.641 -1.256 1.00 44.12 C ATOM 810 CD1 ILE A 53 -3.022 7.238 -3.177 1.00 53.33 C ATOM 0 H ILE A 53 -4.911 9.013 -0.291 1.00 62.13 H new ATOM 0 HA ILE A 53 -4.598 6.424 1.089 1.00 75.50 H new ATOM 0 HB ILE A 53 -3.277 5.858 -1.072 1.00 22.12 H new ATOM 0 HG12 ILE A 53 -5.009 7.721 -2.571 1.00 30.21 H new ATOM 0 HG13 ILE A 53 -3.758 8.519 -1.638 1.00 30.21 H new ATOM 0 HG21 ILE A 53 -5.337 5.188 -2.246 1.00 44.12 H new ATOM 0 HG22 ILE A 53 -5.437 4.857 -0.500 1.00 44.12 H new ATOM 0 HG23 ILE A 53 -6.284 6.262 -1.190 1.00 44.12 H new ATOM 0 HD11 ILE A 53 -2.988 8.043 -3.911 1.00 53.33 H new ATOM 0 HD12 ILE A 53 -2.038 7.119 -2.723 1.00 53.33 H new ATOM 0 HD13 ILE A 53 -3.309 6.309 -3.670 1.00 53.33 H new ATOM 822 N PRO A 54 -2.023 6.597 1.282 1.00 74.44 N ATOM 823 CA PRO A 54 -0.645 6.837 1.719 1.00 12.34 C ATOM 824 C PRO A 54 0.291 7.130 0.552 1.00 62.20 C ATOM 825 O PRO A 54 0.163 6.540 -0.520 1.00 64.32 O ATOM 826 CB PRO A 54 -0.255 5.524 2.402 1.00 72.34 C ATOM 827 CG PRO A 54 -1.129 4.495 1.770 1.00 2.24 C ATOM 828 CD PRO A 54 -2.424 5.190 1.453 1.00 10.12 C ATOM 0 HA PRO A 54 -0.570 7.709 2.368 1.00 12.34 H new ATOM 0 HB2 PRO A 54 0.800 5.296 2.249 1.00 72.34 H new ATOM 0 HB3 PRO A 54 -0.417 5.574 3.479 1.00 72.34 H new ATOM 0 HG2 PRO A 54 -0.670 4.095 0.866 1.00 2.24 H new ATOM 0 HG3 PRO A 54 -1.292 3.654 2.444 1.00 2.24 H new ATOM 0 HD2 PRO A 54 -2.884 4.790 0.549 1.00 10.12 H new ATOM 0 HD3 PRO A 54 -3.150 5.074 2.258 1.00 10.12 H new ATOM 836 N GLU A 55 1.232 8.044 0.768 1.00 30.24 N ATOM 837 CA GLU A 55 2.189 8.414 -0.267 1.00 63.34 C ATOM 838 C GLU A 55 3.611 8.049 0.151 1.00 40.43 C ATOM 839 O GLU A 55 4.480 7.824 -0.692 1.00 44.10 O ATOM 840 CB GLU A 55 2.101 9.912 -0.563 1.00 1.52 C ATOM 841 CG GLU A 55 2.412 10.789 0.639 1.00 72.02 C ATOM 842 CD GLU A 55 1.404 11.907 0.822 1.00 75.40 C ATOM 843 OE1 GLU A 55 0.973 12.489 -0.196 1.00 4.45 O ATOM 844 OE2 GLU A 55 1.045 12.199 1.982 1.00 72.32 O ATOM 0 H GLU A 55 1.352 8.541 1.650 1.00 30.24 H new ATOM 0 HA GLU A 55 1.940 7.858 -1.171 1.00 63.34 H new ATOM 0 HB2 GLU A 55 2.793 10.156 -1.369 1.00 1.52 H new ATOM 0 HB3 GLU A 55 1.099 10.145 -0.922 1.00 1.52 H new ATOM 0 HG2 GLU A 55 2.433 10.173 1.538 1.00 72.02 H new ATOM 0 HG3 GLU A 55 3.407 11.218 0.523 1.00 72.02 H new ATOM 851 N THR A 56 3.841 7.994 1.459 1.00 62.01 N ATOM 852 CA THR A 56 5.156 7.659 1.990 1.00 4.31 C ATOM 853 C THR A 56 5.197 6.221 2.493 1.00 75.32 C ATOM 854 O THR A 56 4.224 5.724 3.062 1.00 32.21 O ATOM 855 CB THR A 56 5.555 8.604 3.139 1.00 2.14 C ATOM 856 OG1 THR A 56 4.804 8.288 4.317 1.00 60.33 O ATOM 857 CG2 THR A 56 5.316 10.056 2.754 1.00 11.10 C ATOM 0 H THR A 56 3.133 8.177 2.170 1.00 62.01 H new ATOM 0 HA THR A 56 5.866 7.774 1.171 1.00 4.31 H new ATOM 0 HB THR A 56 6.618 8.468 3.339 1.00 2.14 H new ATOM 0 HG1 THR A 56 5.329 8.519 5.112 1.00 60.33 H new ATOM 0 HG21 THR A 56 5.605 10.704 3.581 1.00 11.10 H new ATOM 0 HG22 THR A 56 5.912 10.302 1.875 1.00 11.10 H new ATOM 0 HG23 THR A 56 4.260 10.204 2.530 1.00 11.10 H new ATOM 865 N LEU A 57 6.327 5.556 2.280 1.00 12.10 N ATOM 866 CA LEU A 57 6.494 4.173 2.713 1.00 62.02 C ATOM 867 C LEU A 57 6.475 4.073 4.235 1.00 61.43 C ATOM 868 O LEU A 57 5.952 3.110 4.797 1.00 53.42 O ATOM 869 CB LEU A 57 7.805 3.603 2.169 1.00 23.21 C ATOM 870 CG LEU A 57 7.994 2.093 2.320 1.00 62.15 C ATOM 871 CD1 LEU A 57 6.819 1.345 1.710 1.00 32.42 C ATOM 872 CD2 LEU A 57 9.301 1.652 1.676 1.00 52.11 C ATOM 0 H LEU A 57 7.141 5.952 1.810 1.00 12.10 H new ATOM 0 HA LEU A 57 5.661 3.591 2.319 1.00 62.02 H new ATOM 0 HB2 LEU A 57 7.876 3.854 1.111 1.00 23.21 H new ATOM 0 HB3 LEU A 57 8.632 4.105 2.671 1.00 23.21 H new ATOM 0 HG LEU A 57 8.037 1.856 3.383 1.00 62.15 H new ATOM 0 HD11 LEU A 57 6.971 0.272 1.827 1.00 32.42 H new ATOM 0 HD12 LEU A 57 5.899 1.638 2.215 1.00 32.42 H new ATOM 0 HD13 LEU A 57 6.744 1.588 0.650 1.00 32.42 H new ATOM 0 HD21 LEU A 57 9.419 0.575 1.793 1.00 52.11 H new ATOM 0 HD22 LEU A 57 9.287 1.902 0.615 1.00 52.11 H new ATOM 0 HD23 LEU A 57 10.135 2.163 2.158 1.00 52.11 H new ATOM 884 N ASP A 58 7.047 5.073 4.896 1.00 61.15 N ATOM 885 CA ASP A 58 7.093 5.099 6.353 1.00 41.31 C ATOM 886 C ASP A 58 5.686 5.140 6.940 1.00 32.23 C ATOM 887 O ASP A 58 5.373 4.405 7.877 1.00 3.40 O ATOM 888 CB ASP A 58 7.896 6.307 6.837 1.00 4.43 C ATOM 889 CG ASP A 58 9.342 6.262 6.382 1.00 32.21 C ATOM 890 OD1 ASP A 58 10.174 5.678 7.107 1.00 34.33 O ATOM 891 OD2 ASP A 58 9.641 6.811 5.301 1.00 3.11 O ATOM 0 H ASP A 58 7.485 5.876 4.446 1.00 61.15 H new ATOM 0 HA ASP A 58 7.583 4.187 6.693 1.00 41.31 H new ATOM 0 HB2 ASP A 58 7.430 7.221 6.468 1.00 4.43 H new ATOM 0 HB3 ASP A 58 7.862 6.350 7.926 1.00 4.43 H new ATOM 896 N GLN A 59 4.842 6.003 6.384 1.00 45.40 N ATOM 897 CA GLN A 59 3.469 6.140 6.855 1.00 42.44 C ATOM 898 C GLN A 59 2.703 4.833 6.686 1.00 71.42 C ATOM 899 O GLN A 59 2.107 4.323 7.636 1.00 71.03 O ATOM 900 CB GLN A 59 2.758 7.263 6.098 1.00 40.44 C ATOM 901 CG GLN A 59 1.305 7.447 6.506 1.00 62.15 C ATOM 902 CD GLN A 59 0.851 8.890 6.414 1.00 42.41 C ATOM 903 OE1 GLN A 59 0.570 9.530 7.428 1.00 40.44 O ATOM 904 NE2 GLN A 59 0.777 9.412 5.195 1.00 62.21 N ATOM 0 H GLN A 59 5.085 6.618 5.607 1.00 45.40 H new ATOM 0 HA GLN A 59 3.498 6.388 7.916 1.00 42.44 H new ATOM 0 HB2 GLN A 59 3.294 8.197 6.263 1.00 40.44 H new ATOM 0 HB3 GLN A 59 2.803 7.054 5.029 1.00 40.44 H new ATOM 0 HG2 GLN A 59 0.672 6.830 5.869 1.00 62.15 H new ATOM 0 HG3 GLN A 59 1.171 7.092 7.528 1.00 62.15 H new ATOM 0 HE21 GLN A 59 1.019 8.846 4.382 1.00 62.21 H new ATOM 0 HE22 GLN A 59 0.478 10.379 5.072 1.00 62.21 H new ATOM 913 N LEU A 60 2.722 4.294 5.472 1.00 40.14 N ATOM 914 CA LEU A 60 2.028 3.045 5.178 1.00 64.13 C ATOM 915 C LEU A 60 2.478 1.937 6.124 1.00 21.43 C ATOM 916 O LEU A 60 1.680 1.091 6.529 1.00 64.53 O ATOM 917 CB LEU A 60 2.281 2.627 3.728 1.00 24.11 C ATOM 918 CG LEU A 60 1.694 1.280 3.306 1.00 54.15 C ATOM 919 CD1 LEU A 60 0.348 1.475 2.623 1.00 5.23 C ATOM 920 CD2 LEU A 60 2.657 0.542 2.388 1.00 41.14 C ATOM 0 H LEU A 60 3.211 4.702 4.675 1.00 40.14 H new ATOM 0 HA LEU A 60 0.960 3.209 5.321 1.00 64.13 H new ATOM 0 HB2 LEU A 60 1.876 3.398 3.073 1.00 24.11 H new ATOM 0 HB3 LEU A 60 3.358 2.600 3.561 1.00 24.11 H new ATOM 0 HG LEU A 60 1.541 0.676 4.200 1.00 54.15 H new ATOM 0 HD11 LEU A 60 -0.055 0.506 2.329 1.00 5.23 H new ATOM 0 HD12 LEU A 60 -0.343 1.961 3.312 1.00 5.23 H new ATOM 0 HD13 LEU A 60 0.476 2.098 1.738 1.00 5.23 H new ATOM 0 HD21 LEU A 60 2.222 -0.415 2.098 1.00 41.14 H new ATOM 0 HD22 LEU A 60 2.842 1.142 1.497 1.00 41.14 H new ATOM 0 HD23 LEU A 60 3.598 0.369 2.911 1.00 41.14 H new ATOM 932 N ARG A 61 3.760 1.949 6.475 1.00 11.23 N ATOM 933 CA ARG A 61 4.315 0.946 7.375 1.00 24.23 C ATOM 934 C ARG A 61 3.662 1.029 8.752 1.00 61.12 C ATOM 935 O ARG A 61 3.234 0.018 9.310 1.00 73.33 O ATOM 936 CB ARG A 61 5.829 1.128 7.505 1.00 13.44 C ATOM 937 CG ARG A 61 6.497 0.076 8.375 1.00 13.12 C ATOM 938 CD ARG A 61 8.008 0.093 8.208 1.00 20.22 C ATOM 939 NE ARG A 61 8.662 0.912 9.225 1.00 20.45 N ATOM 940 CZ ARG A 61 9.980 1.048 9.323 1.00 13.43 C ATOM 941 NH1 ARG A 61 10.780 0.424 8.470 1.00 55.44 N ATOM 942 NH2 ARG A 61 10.500 1.811 10.276 1.00 12.33 N ATOM 0 H ARG A 61 4.433 2.642 6.150 1.00 11.23 H new ATOM 0 HA ARG A 61 4.109 -0.038 6.953 1.00 24.23 H new ATOM 0 HB2 ARG A 61 6.276 1.102 6.511 1.00 13.44 H new ATOM 0 HB3 ARG A 61 6.033 2.114 7.921 1.00 13.44 H new ATOM 0 HG2 ARG A 61 6.243 0.252 9.420 1.00 13.12 H new ATOM 0 HG3 ARG A 61 6.112 -0.910 8.115 1.00 13.12 H new ATOM 0 HD2 ARG A 61 8.390 -0.926 8.263 1.00 20.22 H new ATOM 0 HD3 ARG A 61 8.259 0.475 7.218 1.00 20.22 H new ATOM 0 HE ARG A 61 8.075 1.407 9.897 1.00 20.45 H new ATOM 0 HH11 ARG A 61 10.384 -0.163 7.736 1.00 55.44 H new ATOM 0 HH12 ARG A 61 11.791 0.531 8.548 1.00 55.44 H new ATOM 0 HH21 ARG A 61 9.888 2.293 10.934 1.00 12.33 H new ATOM 0 HH22 ARG A 61 11.512 1.915 10.351 1.00 12.33 H new ATOM 956 N LEU A 62 3.590 2.239 9.294 1.00 13.33 N ATOM 957 CA LEU A 62 2.989 2.455 10.606 1.00 1.12 C ATOM 958 C LEU A 62 1.494 2.152 10.577 1.00 4.02 C ATOM 959 O LEU A 62 0.890 1.859 11.609 1.00 74.24 O ATOM 960 CB LEU A 62 3.220 3.896 11.064 1.00 41.32 C ATOM 961 CG LEU A 62 2.759 4.232 12.483 1.00 64.13 C ATOM 962 CD1 LEU A 62 3.614 3.503 13.508 1.00 70.31 C ATOM 963 CD2 LEU A 62 2.808 5.735 12.718 1.00 75.34 C ATOM 0 H LEU A 62 3.940 3.086 8.846 1.00 13.33 H new ATOM 0 HA LEU A 62 3.465 1.775 11.312 1.00 1.12 H new ATOM 0 HB2 LEU A 62 4.285 4.114 10.989 1.00 41.32 H new ATOM 0 HB3 LEU A 62 2.709 4.563 10.370 1.00 41.32 H new ATOM 0 HG LEU A 62 1.727 3.900 12.598 1.00 64.13 H new ATOM 0 HD11 LEU A 62 3.272 3.754 14.512 1.00 70.31 H new ATOM 0 HD12 LEU A 62 3.529 2.427 13.354 1.00 70.31 H new ATOM 0 HD13 LEU A 62 4.655 3.805 13.394 1.00 70.31 H new ATOM 0 HD21 LEU A 62 2.477 5.956 13.733 1.00 75.34 H new ATOM 0 HD22 LEU A 62 3.830 6.091 12.584 1.00 75.34 H new ATOM 0 HD23 LEU A 62 2.153 6.236 12.005 1.00 75.34 H new ATOM 975 N VAL A 63 0.904 2.223 9.388 1.00 23.22 N ATOM 976 CA VAL A 63 -0.519 1.953 9.224 1.00 60.22 C ATOM 977 C VAL A 63 -0.825 0.474 9.430 1.00 32.33 C ATOM 978 O VAL A 63 -1.573 0.105 10.336 1.00 12.14 O ATOM 979 CB VAL A 63 -1.013 2.378 7.828 1.00 15.25 C ATOM 980 CG1 VAL A 63 -2.491 2.055 7.664 1.00 64.33 C ATOM 981 CG2 VAL A 63 -0.755 3.860 7.601 1.00 31.00 C ATOM 0 H VAL A 63 1.390 2.465 8.524 1.00 23.22 H new ATOM 0 HA VAL A 63 -1.042 2.538 9.981 1.00 60.22 H new ATOM 0 HB VAL A 63 -0.457 1.816 7.078 1.00 15.25 H new ATOM 0 HG11 VAL A 63 -2.823 2.362 6.672 1.00 64.33 H new ATOM 0 HG12 VAL A 63 -2.644 0.982 7.782 1.00 64.33 H new ATOM 0 HG13 VAL A 63 -3.066 2.589 8.420 1.00 64.33 H new ATOM 0 HG21 VAL A 63 -1.110 4.144 6.610 1.00 31.00 H new ATOM 0 HG22 VAL A 63 -1.284 4.441 8.356 1.00 31.00 H new ATOM 0 HG23 VAL A 63 0.314 4.059 7.674 1.00 31.00 H new ATOM 991 N ILE A 64 -0.242 -0.369 8.585 1.00 71.22 N ATOM 992 CA ILE A 64 -0.451 -1.809 8.676 1.00 55.21 C ATOM 993 C ILE A 64 -0.124 -2.325 10.073 1.00 44.31 C ATOM 994 O ILE A 64 -0.822 -3.188 10.607 1.00 44.24 O ATOM 995 CB ILE A 64 0.405 -2.569 7.646 1.00 4.41 C ATOM 996 CG1 ILE A 64 0.221 -4.078 7.812 1.00 62.54 C ATOM 997 CG2 ILE A 64 1.871 -2.189 7.794 1.00 63.04 C ATOM 998 CD1 ILE A 64 0.290 -4.842 6.508 1.00 75.04 C ATOM 0 H ILE A 64 0.379 -0.080 7.829 1.00 71.22 H new ATOM 0 HA ILE A 64 -1.505 -1.989 8.463 1.00 55.21 H new ATOM 0 HB ILE A 64 0.076 -2.290 6.645 1.00 4.41 H new ATOM 0 HG12 ILE A 64 0.988 -4.457 8.487 1.00 62.54 H new ATOM 0 HG13 ILE A 64 -0.742 -4.269 8.285 1.00 62.54 H new ATOM 0 HG21 ILE A 64 2.464 -2.734 7.060 1.00 63.04 H new ATOM 0 HG22 ILE A 64 1.987 -1.117 7.631 1.00 63.04 H new ATOM 0 HG23 ILE A 64 2.213 -2.443 8.797 1.00 63.04 H new ATOM 0 HD11 ILE A 64 0.151 -5.906 6.702 1.00 75.04 H new ATOM 0 HD12 ILE A 64 -0.494 -4.490 5.838 1.00 75.04 H new ATOM 0 HD13 ILE A 64 1.263 -4.682 6.043 1.00 75.04 H new ATOM 1010 N CYS A 65 0.941 -1.790 10.660 1.00 12.53 N ATOM 1011 CA CYS A 65 1.361 -2.195 11.997 1.00 41.01 C ATOM 1012 C CYS A 65 0.308 -1.822 13.035 1.00 53.22 C ATOM 1013 O CYS A 65 -0.136 -2.665 13.814 1.00 11.05 O ATOM 1014 CB CYS A 65 2.698 -1.544 12.353 1.00 44.10 C ATOM 1015 SG CYS A 65 4.127 -2.300 11.542 1.00 33.22 S ATOM 0 H CYS A 65 1.529 -1.075 10.231 1.00 12.53 H new ATOM 0 HA CYS A 65 1.480 -3.278 12.000 1.00 41.01 H new ATOM 0 HB2 CYS A 65 2.658 -0.488 12.085 1.00 44.10 H new ATOM 0 HB3 CYS A 65 2.838 -1.594 13.433 1.00 44.10 H new ATOM 0 HG CYS A 65 4.346 -1.706 10.407 1.00 33.22 H new ATOM 1021 N ASP A 66 -0.087 -0.553 13.040 1.00 70.44 N ATOM 1022 CA ASP A 66 -1.088 -0.068 13.982 1.00 11.23 C ATOM 1023 C ASP A 66 -2.365 -0.898 13.895 1.00 61.12 C ATOM 1024 O ASP A 66 -2.946 -1.272 14.914 1.00 12.24 O ATOM 1025 CB ASP A 66 -1.403 1.404 13.712 1.00 42.34 C ATOM 1026 CG ASP A 66 -2.502 1.936 14.610 1.00 1.22 C ATOM 1027 OD1 ASP A 66 -2.768 1.308 15.656 1.00 13.30 O ATOM 1028 OD2 ASP A 66 -3.096 2.980 14.267 1.00 32.12 O ATOM 0 H ASP A 66 0.271 0.158 12.402 1.00 70.44 H new ATOM 0 HA ASP A 66 -0.681 -0.166 14.988 1.00 11.23 H new ATOM 0 HB2 ASP A 66 -0.501 1.998 13.857 1.00 42.34 H new ATOM 0 HB3 ASP A 66 -1.700 1.524 12.670 1.00 42.34 H new ATOM 1033 N LEU A 67 -2.797 -1.183 12.671 1.00 3.52 N ATOM 1034 CA LEU A 67 -4.006 -1.968 12.450 1.00 61.11 C ATOM 1035 C LEU A 67 -3.802 -3.416 12.884 1.00 64.01 C ATOM 1036 O LEU A 67 -4.534 -3.929 13.729 1.00 73.30 O ATOM 1037 CB LEU A 67 -4.408 -1.918 10.975 1.00 44.32 C ATOM 1038 CG LEU A 67 -5.699 -2.649 10.605 1.00 0.45 C ATOM 1039 CD1 LEU A 67 -6.610 -1.744 9.791 1.00 13.40 C ATOM 1040 CD2 LEU A 67 -5.388 -3.926 9.838 1.00 14.43 C ATOM 0 H LEU A 67 -2.328 -0.882 11.817 1.00 3.52 H new ATOM 0 HA LEU A 67 -4.805 -1.536 13.053 1.00 61.11 H new ATOM 0 HB2 LEU A 67 -4.509 -0.873 10.682 1.00 44.32 H new ATOM 0 HB3 LEU A 67 -3.594 -2.337 10.383 1.00 44.32 H new ATOM 0 HG LEU A 67 -6.218 -2.919 11.525 1.00 0.45 H new ATOM 0 HD11 LEU A 67 -7.524 -2.281 9.537 1.00 13.40 H new ATOM 0 HD12 LEU A 67 -6.860 -0.859 10.376 1.00 13.40 H new ATOM 0 HD13 LEU A 67 -6.100 -1.442 8.876 1.00 13.40 H new ATOM 0 HD21 LEU A 67 -6.319 -4.433 9.583 1.00 14.43 H new ATOM 0 HD22 LEU A 67 -4.847 -3.679 8.924 1.00 14.43 H new ATOM 0 HD23 LEU A 67 -4.775 -4.582 10.456 1.00 14.43 H new ATOM 1052 N GLN A 68 -2.800 -4.067 12.301 1.00 31.33 N ATOM 1053 CA GLN A 68 -2.499 -5.456 12.630 1.00 40.35 C ATOM 1054 C GLN A 68 -2.338 -5.637 14.135 1.00 11.53 C ATOM 1055 O GLN A 68 -2.613 -6.708 14.673 1.00 24.55 O ATOM 1056 CB GLN A 68 -1.226 -5.907 11.911 1.00 74.31 C ATOM 1057 CG GLN A 68 -0.804 -7.326 12.256 1.00 24.10 C ATOM 1058 CD GLN A 68 0.554 -7.383 12.929 1.00 74.30 C ATOM 1059 OE1 GLN A 68 0.651 -7.595 14.138 1.00 25.10 O ATOM 1060 NE2 GLN A 68 1.611 -7.194 12.148 1.00 75.44 N ATOM 0 H GLN A 68 -2.184 -3.656 11.600 1.00 31.33 H new ATOM 0 HA GLN A 68 -3.335 -6.071 12.297 1.00 40.35 H new ATOM 0 HB2 GLN A 68 -1.381 -5.834 10.835 1.00 74.31 H new ATOM 0 HB3 GLN A 68 -0.415 -5.224 12.163 1.00 74.31 H new ATOM 0 HG2 GLN A 68 -1.550 -7.773 12.913 1.00 24.10 H new ATOM 0 HG3 GLN A 68 -0.780 -7.925 11.346 1.00 24.10 H new ATOM 0 HE21 GLN A 68 1.484 -7.021 11.151 1.00 75.44 H new ATOM 0 HE22 GLN A 68 2.550 -7.222 12.545 1.00 75.44 H new ATOM 1069 N GLU A 69 -1.891 -4.581 14.809 1.00 73.02 N ATOM 1070 CA GLU A 69 -1.693 -4.625 16.253 1.00 71.12 C ATOM 1071 C GLU A 69 -3.031 -4.694 16.984 1.00 62.52 C ATOM 1072 O GLU A 69 -3.313 -5.660 17.694 1.00 41.13 O ATOM 1073 CB GLU A 69 -0.907 -3.398 16.720 1.00 54.12 C ATOM 1074 CG GLU A 69 -0.464 -3.475 18.171 1.00 64.31 C ATOM 1075 CD GLU A 69 0.915 -4.087 18.327 1.00 2.44 C ATOM 1076 OE1 GLU A 69 1.391 -4.730 17.368 1.00 13.41 O ATOM 1077 OE2 GLU A 69 1.518 -3.923 19.408 1.00 3.53 O ATOM 0 H GLU A 69 -1.660 -3.686 14.378 1.00 73.02 H new ATOM 0 HA GLU A 69 -1.123 -5.524 16.488 1.00 71.12 H new ATOM 0 HB2 GLU A 69 -0.028 -3.277 16.087 1.00 54.12 H new ATOM 0 HB3 GLU A 69 -1.523 -2.509 16.584 1.00 54.12 H new ATOM 0 HG2 GLU A 69 -0.464 -2.473 18.601 1.00 64.31 H new ATOM 0 HG3 GLU A 69 -1.185 -4.065 18.737 1.00 64.31 H new ATOM 1084 N ARG A 70 -3.850 -3.664 16.805 1.00 53.41 N ATOM 1085 CA ARG A 70 -5.157 -3.606 17.448 1.00 34.12 C ATOM 1086 C ARG A 70 -6.026 -4.785 17.020 1.00 34.12 C ATOM 1087 O ARG A 70 -6.622 -5.465 17.856 1.00 71.44 O ATOM 1088 CB ARG A 70 -5.860 -2.291 17.107 1.00 1.41 C ATOM 1089 CG ARG A 70 -6.011 -1.355 18.295 1.00 4.23 C ATOM 1090 CD ARG A 70 -7.002 -0.239 18.004 1.00 73.44 C ATOM 1091 NE ARG A 70 -6.370 1.077 18.031 1.00 65.52 N ATOM 1092 CZ ARG A 70 -6.029 1.705 19.150 1.00 3.13 C ATOM 1093 NH1 ARG A 70 -6.258 1.140 20.328 1.00 52.42 N ATOM 1094 NH2 ARG A 70 -5.456 2.901 19.093 1.00 35.14 N ATOM 0 H ARG A 70 -3.632 -2.858 16.220 1.00 53.41 H new ATOM 0 HA ARG A 70 -5.006 -3.660 18.526 1.00 34.12 H new ATOM 0 HB2 ARG A 70 -5.299 -1.782 16.323 1.00 1.41 H new ATOM 0 HB3 ARG A 70 -6.847 -2.511 16.701 1.00 1.41 H new ATOM 0 HG2 ARG A 70 -6.344 -1.921 19.165 1.00 4.23 H new ATOM 0 HG3 ARG A 70 -5.041 -0.925 18.546 1.00 4.23 H new ATOM 0 HD2 ARG A 70 -7.455 -0.403 17.026 1.00 73.44 H new ATOM 0 HD3 ARG A 70 -7.807 -0.269 18.738 1.00 73.44 H new ATOM 0 HE ARG A 70 -6.180 1.539 17.142 1.00 65.52 H new ATOM 0 HH11 ARG A 70 -6.697 0.221 20.376 1.00 52.42 H new ATOM 0 HH12 ARG A 70 -5.995 1.625 21.186 1.00 52.42 H new ATOM 0 HH21 ARG A 70 -5.277 3.338 18.189 1.00 35.14 H new ATOM 0 HH22 ARG A 70 -5.194 3.383 19.953 1.00 35.14 H new ATOM 1108 N ARG A 71 -6.094 -5.020 15.714 1.00 71.11 N ATOM 1109 CA ARG A 71 -6.891 -6.115 15.175 1.00 74.30 C ATOM 1110 C ARG A 71 -6.500 -7.441 15.821 1.00 73.44 C ATOM 1111 O ARG A 71 -7.360 -8.245 16.179 1.00 34.01 O ATOM 1112 CB ARG A 71 -6.716 -6.203 13.658 1.00 74.32 C ATOM 1113 CG ARG A 71 -7.133 -4.940 12.922 1.00 32.14 C ATOM 1114 CD ARG A 71 -8.641 -4.877 12.734 1.00 62.25 C ATOM 1115 NE ARG A 71 -9.244 -3.794 13.505 1.00 35.45 N ATOM 1116 CZ ARG A 71 -10.555 -3.639 13.653 1.00 35.32 C ATOM 1117 NH1 ARG A 71 -11.396 -4.493 13.085 1.00 65.22 N ATOM 1118 NH2 ARG A 71 -11.029 -2.629 14.371 1.00 5.41 N ATOM 0 H ARG A 71 -5.607 -4.467 15.009 1.00 71.11 H new ATOM 0 HA ARG A 71 -7.938 -5.915 15.402 1.00 74.30 H new ATOM 0 HB2 ARG A 71 -5.671 -6.416 13.433 1.00 74.32 H new ATOM 0 HB3 ARG A 71 -7.301 -7.042 13.282 1.00 74.32 H new ATOM 0 HG2 ARG A 71 -6.798 -4.065 13.479 1.00 32.14 H new ATOM 0 HG3 ARG A 71 -6.642 -4.905 11.949 1.00 32.14 H new ATOM 0 HD2 ARG A 71 -8.869 -4.740 11.677 1.00 62.25 H new ATOM 0 HD3 ARG A 71 -9.084 -5.826 13.035 1.00 62.25 H new ATOM 0 HE ARG A 71 -8.625 -3.119 13.955 1.00 35.45 H new ATOM 0 HH11 ARG A 71 -11.037 -5.272 12.533 1.00 65.22 H new ATOM 0 HH12 ARG A 71 -12.402 -4.371 13.201 1.00 65.22 H new ATOM 0 HH21 ARG A 71 -10.386 -1.970 14.810 1.00 5.41 H new ATOM 0 HH22 ARG A 71 -12.036 -2.512 14.483 1.00 5.41 H new ATOM 1132 N GLU A 72 -5.197 -7.662 15.964 1.00 33.34 N ATOM 1133 CA GLU A 72 -4.693 -8.892 16.565 1.00 14.44 C ATOM 1134 C GLU A 72 -5.234 -9.066 17.982 1.00 61.12 C ATOM 1135 O GLU A 72 -5.749 -10.127 18.336 1.00 53.40 O ATOM 1136 CB GLU A 72 -3.163 -8.884 16.589 1.00 75.11 C ATOM 1137 CG GLU A 72 -2.533 -9.524 15.364 1.00 62.34 C ATOM 1138 CD GLU A 72 -2.217 -10.993 15.570 1.00 75.11 C ATOM 1139 OE1 GLU A 72 -1.596 -11.327 16.601 1.00 52.23 O ATOM 1140 OE2 GLU A 72 -2.591 -11.808 14.701 1.00 33.42 O ATOM 0 H GLU A 72 -4.472 -7.007 15.672 1.00 33.34 H new ATOM 0 HA GLU A 72 -5.035 -9.730 15.958 1.00 14.44 H new ATOM 0 HB2 GLU A 72 -2.814 -7.854 16.671 1.00 75.11 H new ATOM 0 HB3 GLU A 72 -2.819 -9.409 17.480 1.00 75.11 H new ATOM 0 HG2 GLU A 72 -3.208 -9.417 14.515 1.00 62.34 H new ATOM 0 HG3 GLU A 72 -1.616 -8.991 15.111 1.00 62.34 H new ATOM 1147 N LYS A 73 -5.112 -8.017 18.789 1.00 63.45 N ATOM 1148 CA LYS A 73 -5.588 -8.052 20.166 1.00 4.13 C ATOM 1149 C LYS A 73 -7.059 -8.449 20.224 1.00 73.01 C ATOM 1150 O LYS A 73 -7.479 -9.188 21.115 1.00 42.20 O ATOM 1151 CB LYS A 73 -5.390 -6.687 20.830 1.00 34.21 C ATOM 1152 CG LYS A 73 -5.253 -6.760 22.341 1.00 44.10 C ATOM 1153 CD LYS A 73 -3.892 -7.296 22.752 1.00 65.23 C ATOM 1154 CE LYS A 73 -3.808 -7.512 24.255 1.00 2.40 C ATOM 1155 NZ LYS A 73 -4.620 -8.680 24.694 1.00 11.10 N ATOM 0 H LYS A 73 -4.687 -7.132 18.512 1.00 63.45 H new ATOM 0 HA LYS A 73 -5.007 -8.800 20.706 1.00 4.13 H new ATOM 0 HB2 LYS A 73 -4.499 -6.216 20.415 1.00 34.21 H new ATOM 0 HB3 LYS A 73 -6.235 -6.045 20.581 1.00 34.21 H new ATOM 0 HG2 LYS A 73 -5.399 -5.768 22.769 1.00 44.10 H new ATOM 0 HG3 LYS A 73 -6.035 -7.401 22.748 1.00 44.10 H new ATOM 0 HD2 LYS A 73 -3.700 -8.237 22.237 1.00 65.23 H new ATOM 0 HD3 LYS A 73 -3.115 -6.598 22.440 1.00 65.23 H new ATOM 0 HE2 LYS A 73 -2.768 -7.665 24.542 1.00 2.40 H new ATOM 0 HE3 LYS A 73 -4.153 -6.616 24.770 1.00 2.40 H new ATOM 0 HZ1 LYS A 73 -4.406 -8.898 25.688 1.00 11.10 H new ATOM 0 HZ2 LYS A 73 -5.631 -8.455 24.599 1.00 11.10 H new ATOM 0 HZ3 LYS A 73 -4.391 -9.504 24.102 1.00 11.10 H new ATOM 1169 N PHE A 74 -7.839 -7.955 19.267 1.00 25.23 N ATOM 1170 CA PHE A 74 -9.264 -8.259 19.209 1.00 25.22 C ATOM 1171 C PHE A 74 -9.499 -9.660 18.652 1.00 45.04 C ATOM 1172 O PHE A 74 -10.511 -10.294 18.944 1.00 73.53 O ATOM 1173 CB PHE A 74 -9.992 -7.226 18.347 1.00 33.13 C ATOM 1174 CG PHE A 74 -11.487 -7.273 18.491 1.00 44.41 C ATOM 1175 CD1 PHE A 74 -12.081 -7.126 19.734 1.00 54.13 C ATOM 1176 CD2 PHE A 74 -12.297 -7.464 17.383 1.00 3.51 C ATOM 1177 CE1 PHE A 74 -13.456 -7.168 19.869 1.00 13.33 C ATOM 1178 CE2 PHE A 74 -13.672 -7.506 17.512 1.00 10.15 C ATOM 1179 CZ PHE A 74 -14.252 -7.359 18.757 1.00 35.12 C ATOM 0 H PHE A 74 -7.508 -7.343 18.522 1.00 25.23 H new ATOM 0 HA PHE A 74 -9.660 -8.220 20.224 1.00 25.22 H new ATOM 0 HB2 PHE A 74 -9.640 -6.229 18.613 1.00 33.13 H new ATOM 0 HB3 PHE A 74 -9.730 -7.388 17.301 1.00 33.13 H new ATOM 0 HD1 PHE A 74 -11.463 -6.977 20.607 1.00 54.13 H new ATOM 0 HD2 PHE A 74 -11.848 -7.581 16.408 1.00 3.51 H new ATOM 0 HE1 PHE A 74 -13.907 -7.052 20.843 1.00 13.33 H new ATOM 0 HE2 PHE A 74 -14.293 -7.654 16.640 1.00 10.15 H new ATOM 0 HZ PHE A 74 -15.326 -7.393 18.861 1.00 35.12 H new ATOM 1189 N GLY A 75 -8.554 -10.136 17.846 1.00 70.02 N ATOM 1190 CA GLY A 75 -8.676 -11.458 17.259 1.00 15.30 C ATOM 1191 C GLY A 75 -8.452 -11.450 15.760 1.00 42.40 C ATOM 1192 O GLY A 75 -8.402 -10.388 15.139 1.00 62.13 O ATOM 0 H GLY A 75 -7.707 -9.630 17.589 1.00 70.02 H new ATOM 0 HA2 GLY A 75 -7.955 -12.128 17.727 1.00 15.30 H new ATOM 0 HA3 GLY A 75 -9.668 -11.857 17.473 1.00 15.30 H new ATOM 1196 N SER A 76 -8.314 -12.636 15.177 1.00 35.33 N ATOM 1197 CA SER A 76 -8.088 -12.762 13.742 1.00 11.42 C ATOM 1198 C SER A 76 -9.412 -12.833 12.988 1.00 52.04 C ATOM 1199 O SER A 76 -10.426 -13.271 13.531 1.00 71.21 O ATOM 1200 CB SER A 76 -7.250 -14.006 13.443 1.00 31.24 C ATOM 1201 OG SER A 76 -5.880 -13.675 13.296 1.00 72.32 O ATOM 0 H SER A 76 -8.355 -13.524 15.677 1.00 35.33 H new ATOM 0 HA SER A 76 -7.545 -11.878 13.406 1.00 11.42 H new ATOM 0 HB2 SER A 76 -7.368 -14.730 14.249 1.00 31.24 H new ATOM 0 HB3 SER A 76 -7.612 -14.482 12.532 1.00 31.24 H new ATOM 0 HG SER A 76 -5.366 -14.487 13.107 1.00 72.32 H new ATOM 1207 N SER A 77 -9.394 -12.399 11.731 1.00 14.45 N ATOM 1208 CA SER A 77 -10.594 -12.409 10.902 1.00 24.00 C ATOM 1209 C SER A 77 -10.231 -12.337 9.422 1.00 60.12 C ATOM 1210 O SER A 77 -9.269 -11.672 9.037 1.00 1.14 O ATOM 1211 CB SER A 77 -11.506 -11.238 11.273 1.00 61.23 C ATOM 1212 OG SER A 77 -11.343 -10.159 10.369 1.00 4.44 O ATOM 0 H SER A 77 -8.562 -12.036 11.265 1.00 14.45 H new ATOM 0 HA SER A 77 -11.124 -13.344 11.084 1.00 24.00 H new ATOM 0 HB2 SER A 77 -12.545 -11.567 11.268 1.00 61.23 H new ATOM 0 HB3 SER A 77 -11.281 -10.905 12.286 1.00 61.23 H new ATOM 0 HG SER A 77 -12.043 -9.492 10.526 1.00 4.44 H new ATOM 1218 N LYS A 78 -11.009 -13.027 8.595 1.00 64.35 N ATOM 1219 CA LYS A 78 -10.773 -13.043 7.156 1.00 44.42 C ATOM 1220 C LYS A 78 -10.660 -11.624 6.608 1.00 43.42 C ATOM 1221 O LYS A 78 -9.891 -11.366 5.682 1.00 4.25 O ATOM 1222 CB LYS A 78 -11.902 -13.788 6.441 1.00 64.42 C ATOM 1223 CG LYS A 78 -11.640 -15.276 6.278 1.00 15.22 C ATOM 1224 CD LYS A 78 -11.744 -15.704 4.824 1.00 33.51 C ATOM 1225 CE LYS A 78 -10.371 -15.877 4.195 1.00 65.34 C ATOM 1226 NZ LYS A 78 -9.793 -17.220 4.482 1.00 15.33 N ATOM 0 H LYS A 78 -11.809 -13.583 8.897 1.00 64.35 H new ATOM 0 HA LYS A 78 -9.832 -13.561 6.973 1.00 44.42 H new ATOM 0 HB2 LYS A 78 -12.828 -13.649 6.999 1.00 64.42 H new ATOM 0 HB3 LYS A 78 -12.053 -13.344 5.457 1.00 64.42 H new ATOM 0 HG2 LYS A 78 -10.647 -15.515 6.659 1.00 15.22 H new ATOM 0 HG3 LYS A 78 -12.355 -15.840 6.876 1.00 15.22 H new ATOM 0 HD2 LYS A 78 -12.296 -16.641 4.758 1.00 33.51 H new ATOM 0 HD3 LYS A 78 -12.311 -14.960 4.264 1.00 33.51 H new ATOM 0 HE2 LYS A 78 -10.446 -15.737 3.117 1.00 65.34 H new ATOM 0 HE3 LYS A 78 -9.700 -15.105 4.571 1.00 65.34 H new ATOM 0 HZ1 LYS A 78 -8.857 -17.298 4.036 1.00 15.33 H new ATOM 0 HZ2 LYS A 78 -9.698 -17.344 5.510 1.00 15.33 H new ATOM 0 HZ3 LYS A 78 -10.420 -17.957 4.101 1.00 15.33 H new ATOM 1240 N GLU A 79 -11.430 -10.707 7.186 1.00 21.54 N ATOM 1241 CA GLU A 79 -11.414 -9.315 6.755 1.00 15.41 C ATOM 1242 C GLU A 79 -10.078 -8.657 7.088 1.00 54.21 C ATOM 1243 O GLU A 79 -9.479 -7.985 6.248 1.00 60.45 O ATOM 1244 CB GLU A 79 -12.556 -8.540 7.417 1.00 2.13 C ATOM 1245 CG GLU A 79 -13.936 -9.066 7.060 1.00 1.15 C ATOM 1246 CD GLU A 79 -15.001 -8.627 8.047 1.00 44.43 C ATOM 1247 OE1 GLU A 79 -14.846 -7.538 8.639 1.00 35.25 O ATOM 1248 OE2 GLU A 79 -15.987 -9.371 8.226 1.00 12.41 O ATOM 0 H GLU A 79 -12.072 -10.904 7.954 1.00 21.54 H new ATOM 0 HA GLU A 79 -11.549 -9.295 5.674 1.00 15.41 H new ATOM 0 HB2 GLU A 79 -12.431 -8.579 8.499 1.00 2.13 H new ATOM 0 HB3 GLU A 79 -12.489 -7.492 7.125 1.00 2.13 H new ATOM 0 HG2 GLU A 79 -14.206 -8.720 6.062 1.00 1.15 H new ATOM 0 HG3 GLU A 79 -13.907 -10.155 7.023 1.00 1.15 H new ATOM 1255 N ILE A 80 -9.619 -8.854 8.319 1.00 61.21 N ATOM 1256 CA ILE A 80 -8.354 -8.281 8.763 1.00 73.13 C ATOM 1257 C ILE A 80 -7.182 -8.868 7.985 1.00 65.22 C ATOM 1258 O ILE A 80 -6.403 -8.139 7.370 1.00 13.53 O ATOM 1259 CB ILE A 80 -8.127 -8.517 10.268 1.00 42.54 C ATOM 1260 CG1 ILE A 80 -9.279 -7.921 11.079 1.00 33.21 C ATOM 1261 CG2 ILE A 80 -6.799 -7.915 10.703 1.00 10.01 C ATOM 1262 CD1 ILE A 80 -9.349 -8.439 12.499 1.00 53.23 C ATOM 0 H ILE A 80 -10.104 -9.406 9.027 1.00 61.21 H new ATOM 0 HA ILE A 80 -8.410 -7.209 8.576 1.00 73.13 H new ATOM 0 HB ILE A 80 -8.095 -9.591 10.452 1.00 42.54 H new ATOM 0 HG12 ILE A 80 -9.174 -6.836 11.101 1.00 33.21 H new ATOM 0 HG13 ILE A 80 -10.220 -8.140 10.574 1.00 33.21 H new ATOM 0 HG21 ILE A 80 -6.652 -8.089 11.769 1.00 10.01 H new ATOM 0 HG22 ILE A 80 -5.988 -8.381 10.144 1.00 10.01 H new ATOM 0 HG23 ILE A 80 -6.805 -6.843 10.508 1.00 10.01 H new ATOM 0 HD11 ILE A 80 -10.189 -7.974 13.015 1.00 53.23 H new ATOM 0 HD12 ILE A 80 -9.485 -9.520 12.486 1.00 53.23 H new ATOM 0 HD13 ILE A 80 -8.423 -8.196 13.021 1.00 53.23 H new ATOM 1274 N ASP A 81 -7.062 -10.191 8.014 1.00 12.14 N ATOM 1275 CA ASP A 81 -5.986 -10.878 7.309 1.00 1.55 C ATOM 1276 C ASP A 81 -5.985 -10.510 5.829 1.00 72.52 C ATOM 1277 O ASP A 81 -4.934 -10.466 5.191 1.00 62.11 O ATOM 1278 CB ASP A 81 -6.126 -12.392 7.472 1.00 5.12 C ATOM 1279 CG ASP A 81 -5.494 -12.897 8.755 1.00 53.02 C ATOM 1280 OD1 ASP A 81 -4.248 -12.953 8.821 1.00 13.55 O ATOM 1281 OD2 ASP A 81 -6.246 -13.236 9.692 1.00 13.11 O ATOM 0 H ASP A 81 -7.697 -10.809 8.519 1.00 12.14 H new ATOM 0 HA ASP A 81 -5.038 -10.560 7.744 1.00 1.55 H new ATOM 0 HB2 ASP A 81 -7.183 -12.660 7.461 1.00 5.12 H new ATOM 0 HB3 ASP A 81 -5.662 -12.891 6.621 1.00 5.12 H new ATOM 1286 N MET A 82 -7.171 -10.249 5.289 1.00 71.44 N ATOM 1287 CA MET A 82 -7.307 -9.886 3.883 1.00 63.23 C ATOM 1288 C MET A 82 -6.635 -8.546 3.600 1.00 21.22 C ATOM 1289 O MET A 82 -5.838 -8.425 2.671 1.00 43.13 O ATOM 1290 CB MET A 82 -8.784 -9.822 3.491 1.00 51.03 C ATOM 1291 CG MET A 82 -9.017 -9.299 2.083 1.00 51.42 C ATOM 1292 SD MET A 82 -9.986 -10.434 1.071 1.00 12.22 S ATOM 1293 CE MET A 82 -11.523 -10.479 1.990 1.00 1.34 C ATOM 0 H MET A 82 -8.051 -10.282 5.803 1.00 71.44 H new ATOM 0 HA MET A 82 -6.813 -10.653 3.286 1.00 63.23 H new ATOM 0 HB2 MET A 82 -9.217 -10.818 3.576 1.00 51.03 H new ATOM 0 HB3 MET A 82 -9.312 -9.183 4.199 1.00 51.03 H new ATOM 0 HG2 MET A 82 -9.530 -8.339 2.137 1.00 51.42 H new ATOM 0 HG3 MET A 82 -8.055 -9.121 1.602 1.00 51.42 H new ATOM 0 HE1 MET A 82 -12.318 -10.865 1.351 1.00 1.34 H new ATOM 0 HE2 MET A 82 -11.409 -11.127 2.859 1.00 1.34 H new ATOM 0 HE3 MET A 82 -11.779 -9.472 2.320 1.00 1.34 H new ATOM 1303 N ALA A 83 -6.963 -7.543 4.408 1.00 42.02 N ATOM 1304 CA ALA A 83 -6.390 -6.213 4.245 1.00 4.31 C ATOM 1305 C ALA A 83 -4.866 -6.262 4.290 1.00 72.11 C ATOM 1306 O ALA A 83 -4.192 -5.655 3.458 1.00 64.25 O ATOM 1307 CB ALA A 83 -6.921 -5.274 5.318 1.00 20.24 C ATOM 0 H ALA A 83 -7.622 -7.627 5.182 1.00 42.02 H new ATOM 0 HA ALA A 83 -6.687 -5.834 3.267 1.00 4.31 H new ATOM 0 HB1 ALA A 83 -6.484 -4.284 5.184 1.00 20.24 H new ATOM 0 HB2 ALA A 83 -8.006 -5.206 5.238 1.00 20.24 H new ATOM 0 HB3 ALA A 83 -6.654 -5.658 6.302 1.00 20.24 H new ATOM 1313 N ILE A 84 -4.331 -6.987 5.266 1.00 21.31 N ATOM 1314 CA ILE A 84 -2.887 -7.115 5.418 1.00 21.42 C ATOM 1315 C ILE A 84 -2.250 -7.689 4.157 1.00 31.41 C ATOM 1316 O ILE A 84 -1.222 -7.199 3.689 1.00 33.22 O ATOM 1317 CB ILE A 84 -2.524 -8.012 6.617 1.00 74.23 C ATOM 1318 CG1 ILE A 84 -3.124 -7.445 7.905 1.00 22.53 C ATOM 1319 CG2 ILE A 84 -1.014 -8.144 6.742 1.00 41.12 C ATOM 1320 CD1 ILE A 84 -2.829 -8.285 9.129 1.00 53.22 C ATOM 0 H ILE A 84 -4.875 -7.495 5.963 1.00 21.31 H new ATOM 0 HA ILE A 84 -2.498 -6.112 5.594 1.00 21.42 H new ATOM 0 HB ILE A 84 -2.942 -9.005 6.450 1.00 74.23 H new ATOM 0 HG12 ILE A 84 -2.738 -6.438 8.064 1.00 22.53 H new ATOM 0 HG13 ILE A 84 -4.204 -7.358 7.786 1.00 22.53 H new ATOM 0 HG21 ILE A 84 -0.774 -8.781 7.594 1.00 41.12 H new ATOM 0 HG22 ILE A 84 -0.611 -8.588 5.832 1.00 41.12 H new ATOM 0 HG23 ILE A 84 -0.574 -7.158 6.890 1.00 41.12 H new ATOM 0 HD11 ILE A 84 -3.285 -7.824 10.005 1.00 53.22 H new ATOM 0 HD12 ILE A 84 -3.239 -9.285 8.991 1.00 53.22 H new ATOM 0 HD13 ILE A 84 -1.751 -8.352 9.273 1.00 53.22 H new ATOM 1332 N VAL A 85 -2.869 -8.731 3.610 1.00 43.13 N ATOM 1333 CA VAL A 85 -2.365 -9.371 2.400 1.00 5.45 C ATOM 1334 C VAL A 85 -2.359 -8.399 1.226 1.00 51.40 C ATOM 1335 O VAL A 85 -1.334 -8.201 0.573 1.00 3.02 O ATOM 1336 CB VAL A 85 -3.205 -10.606 2.027 1.00 53.34 C ATOM 1337 CG1 VAL A 85 -2.686 -11.237 0.744 1.00 22.20 C ATOM 1338 CG2 VAL A 85 -3.205 -11.614 3.165 1.00 31.43 C ATOM 0 H VAL A 85 -3.720 -9.150 3.985 1.00 43.13 H new ATOM 0 HA VAL A 85 -1.343 -9.687 2.611 1.00 5.45 H new ATOM 0 HB VAL A 85 -4.233 -10.286 1.856 1.00 53.34 H new ATOM 0 HG11 VAL A 85 -3.292 -12.108 0.496 1.00 22.20 H new ATOM 0 HG12 VAL A 85 -2.744 -10.512 -0.068 1.00 22.20 H new ATOM 0 HG13 VAL A 85 -1.649 -11.544 0.883 1.00 22.20 H new ATOM 0 HG21 VAL A 85 -3.804 -12.480 2.884 1.00 31.43 H new ATOM 0 HG22 VAL A 85 -2.182 -11.931 3.371 1.00 31.43 H new ATOM 0 HG23 VAL A 85 -3.629 -11.155 4.058 1.00 31.43 H new ATOM 1348 N THR A 86 -3.512 -7.792 0.961 1.00 33.23 N ATOM 1349 CA THR A 86 -3.641 -6.841 -0.135 1.00 54.30 C ATOM 1350 C THR A 86 -2.683 -5.668 0.039 1.00 53.10 C ATOM 1351 O THR A 86 -2.166 -5.125 -0.938 1.00 71.14 O ATOM 1352 CB THR A 86 -5.080 -6.302 -0.244 1.00 52.54 C ATOM 1353 OG1 THR A 86 -5.495 -5.754 1.012 1.00 0.10 O ATOM 1354 CG2 THR A 86 -6.041 -7.404 -0.665 1.00 4.22 C ATOM 0 H THR A 86 -4.370 -7.943 1.491 1.00 33.23 H new ATOM 0 HA THR A 86 -3.391 -7.378 -1.050 1.00 54.30 H new ATOM 0 HB THR A 86 -5.094 -5.520 -1.003 1.00 52.54 H new ATOM 0 HG1 THR A 86 -4.817 -5.946 1.693 1.00 0.10 H new ATOM 0 HG21 THR A 86 -7.051 -6.999 -0.735 1.00 4.22 H new ATOM 0 HG22 THR A 86 -5.740 -7.798 -1.636 1.00 4.22 H new ATOM 0 HG23 THR A 86 -6.022 -8.205 0.074 1.00 4.22 H new ATOM 1362 N LEU A 87 -2.450 -5.281 1.288 1.00 24.42 N ATOM 1363 CA LEU A 87 -1.552 -4.172 1.591 1.00 63.14 C ATOM 1364 C LEU A 87 -0.100 -4.560 1.329 1.00 2.03 C ATOM 1365 O LEU A 87 0.732 -3.713 1.003 1.00 55.35 O ATOM 1366 CB LEU A 87 -1.721 -3.736 3.047 1.00 42.20 C ATOM 1367 CG LEU A 87 -2.942 -2.866 3.350 1.00 64.32 C ATOM 1368 CD1 LEU A 87 -3.007 -2.535 4.833 1.00 62.53 C ATOM 1369 CD2 LEU A 87 -2.909 -1.592 2.518 1.00 24.41 C ATOM 0 H LEU A 87 -2.871 -5.719 2.108 1.00 24.42 H new ATOM 0 HA LEU A 87 -1.810 -3.339 0.937 1.00 63.14 H new ATOM 0 HB2 LEU A 87 -1.773 -4.629 3.669 1.00 42.20 H new ATOM 0 HB3 LEU A 87 -0.827 -3.190 3.348 1.00 42.20 H new ATOM 0 HG LEU A 87 -3.838 -3.426 3.084 1.00 64.32 H new ATOM 0 HD11 LEU A 87 -3.882 -1.915 5.030 1.00 62.53 H new ATOM 0 HD12 LEU A 87 -3.079 -3.458 5.409 1.00 62.53 H new ATOM 0 HD13 LEU A 87 -2.107 -1.994 5.125 1.00 62.53 H new ATOM 0 HD21 LEU A 87 -3.785 -0.985 2.747 1.00 24.41 H new ATOM 0 HD22 LEU A 87 -2.006 -1.028 2.752 1.00 24.41 H new ATOM 0 HD23 LEU A 87 -2.912 -1.849 1.459 1.00 24.41 H new ATOM 1381 N LYS A 88 0.198 -5.847 1.473 1.00 5.35 N ATOM 1382 CA LYS A 88 1.549 -6.349 1.250 1.00 72.30 C ATOM 1383 C LYS A 88 1.891 -6.346 -0.236 1.00 64.34 C ATOM 1384 O LYS A 88 2.791 -5.629 -0.675 1.00 72.20 O ATOM 1385 CB LYS A 88 1.688 -7.765 1.813 1.00 31.34 C ATOM 1386 CG LYS A 88 2.669 -7.867 2.969 1.00 51.34 C ATOM 1387 CD LYS A 88 1.968 -7.725 4.309 1.00 22.04 C ATOM 1388 CE LYS A 88 2.967 -7.625 5.452 1.00 33.54 C ATOM 1389 NZ LYS A 88 2.838 -8.765 6.402 1.00 13.04 N ATOM 0 H LYS A 88 -0.478 -6.561 1.743 1.00 5.35 H new ATOM 0 HA LYS A 88 2.246 -5.689 1.767 1.00 72.30 H new ATOM 0 HB2 LYS A 88 0.710 -8.112 2.146 1.00 31.34 H new ATOM 0 HB3 LYS A 88 2.009 -8.434 1.015 1.00 31.34 H new ATOM 0 HG2 LYS A 88 3.184 -8.827 2.927 1.00 51.34 H new ATOM 0 HG3 LYS A 88 3.430 -7.092 2.871 1.00 51.34 H new ATOM 0 HD2 LYS A 88 1.336 -6.837 4.298 1.00 22.04 H new ATOM 0 HD3 LYS A 88 1.313 -8.581 4.471 1.00 22.04 H new ATOM 0 HE2 LYS A 88 3.979 -7.601 5.049 1.00 33.54 H new ATOM 0 HE3 LYS A 88 2.815 -6.687 5.987 1.00 33.54 H new ATOM 0 HZ1 LYS A 88 3.764 -8.966 6.831 1.00 13.04 H new ATOM 0 HZ2 LYS A 88 2.156 -8.520 7.148 1.00 13.04 H new ATOM 0 HZ3 LYS A 88 2.504 -9.607 5.891 1.00 13.04 H new ATOM 1403 N VAL A 89 1.168 -7.152 -1.008 1.00 14.44 N ATOM 1404 CA VAL A 89 1.393 -7.240 -2.445 1.00 43.33 C ATOM 1405 C VAL A 89 1.344 -5.861 -3.095 1.00 21.33 C ATOM 1406 O VAL A 89 2.168 -5.536 -3.950 1.00 24.14 O ATOM 1407 CB VAL A 89 0.353 -8.151 -3.122 1.00 74.40 C ATOM 1408 CG1 VAL A 89 0.689 -8.347 -4.593 1.00 2.55 C ATOM 1409 CG2 VAL A 89 0.270 -9.490 -2.403 1.00 52.44 C ATOM 0 H VAL A 89 0.421 -7.754 -0.661 1.00 14.44 H new ATOM 0 HA VAL A 89 2.385 -7.669 -2.583 1.00 43.33 H new ATOM 0 HB VAL A 89 -0.622 -7.668 -3.059 1.00 74.40 H new ATOM 0 HG11 VAL A 89 -0.058 -8.994 -5.054 1.00 2.55 H new ATOM 0 HG12 VAL A 89 0.693 -7.381 -5.097 1.00 2.55 H new ATOM 0 HG13 VAL A 89 1.673 -8.807 -4.683 1.00 2.55 H new ATOM 0 HG21 VAL A 89 -0.470 -10.122 -2.895 1.00 52.44 H new ATOM 0 HG22 VAL A 89 1.243 -9.980 -2.433 1.00 52.44 H new ATOM 0 HG23 VAL A 89 -0.023 -9.328 -1.366 1.00 52.44 H new ATOM 1419 N PHE A 90 0.372 -5.054 -2.683 1.00 44.30 N ATOM 1420 CA PHE A 90 0.215 -3.709 -3.225 1.00 73.10 C ATOM 1421 C PHE A 90 1.399 -2.826 -2.842 1.00 72.11 C ATOM 1422 O PHE A 90 1.836 -1.983 -3.624 1.00 43.32 O ATOM 1423 CB PHE A 90 -1.087 -3.083 -2.721 1.00 51.42 C ATOM 1424 CG PHE A 90 -1.219 -1.624 -3.054 1.00 43.03 C ATOM 1425 CD1 PHE A 90 -0.914 -1.160 -4.324 1.00 13.42 C ATOM 1426 CD2 PHE A 90 -1.647 -0.717 -2.098 1.00 71.32 C ATOM 1427 CE1 PHE A 90 -1.034 0.182 -4.633 1.00 2.34 C ATOM 1428 CE2 PHE A 90 -1.769 0.626 -2.401 1.00 62.23 C ATOM 1429 CZ PHE A 90 -1.463 1.076 -3.671 1.00 23.24 C ATOM 0 H PHE A 90 -0.318 -5.307 -1.976 1.00 44.30 H new ATOM 0 HA PHE A 90 0.178 -3.784 -4.312 1.00 73.10 H new ATOM 0 HB2 PHE A 90 -1.931 -3.623 -3.151 1.00 51.42 H new ATOM 0 HB3 PHE A 90 -1.146 -3.207 -1.640 1.00 51.42 H new ATOM 0 HD1 PHE A 90 -0.579 -1.854 -5.080 1.00 13.42 H new ATOM 0 HD2 PHE A 90 -1.888 -1.064 -1.104 1.00 71.32 H new ATOM 0 HE1 PHE A 90 -0.793 0.531 -5.626 1.00 2.34 H new ATOM 0 HE2 PHE A 90 -2.103 1.323 -1.646 1.00 62.23 H new ATOM 0 HZ PHE A 90 -1.559 2.125 -3.911 1.00 23.24 H new ATOM 1439 N ALA A 91 1.912 -3.027 -1.633 1.00 0.42 N ATOM 1440 CA ALA A 91 3.046 -2.251 -1.146 1.00 13.52 C ATOM 1441 C ALA A 91 4.298 -2.533 -1.968 1.00 42.04 C ATOM 1442 O ALA A 91 4.940 -1.613 -2.476 1.00 25.33 O ATOM 1443 CB ALA A 91 3.298 -2.551 0.324 1.00 25.02 C ATOM 0 H ALA A 91 1.561 -3.720 -0.973 1.00 0.42 H new ATOM 0 HA ALA A 91 2.804 -1.194 -1.253 1.00 13.52 H new ATOM 0 HB1 ALA A 91 4.147 -1.965 0.675 1.00 25.02 H new ATOM 0 HB2 ALA A 91 2.413 -2.291 0.905 1.00 25.02 H new ATOM 0 HB3 ALA A 91 3.514 -3.612 0.447 1.00 25.02 H new ATOM 1449 N VAL A 92 4.641 -3.811 -2.096 1.00 41.12 N ATOM 1450 CA VAL A 92 5.817 -4.214 -2.858 1.00 21.52 C ATOM 1451 C VAL A 92 5.611 -3.983 -4.351 1.00 3.55 C ATOM 1452 O VAL A 92 6.385 -3.272 -4.991 1.00 65.32 O ATOM 1453 CB VAL A 92 6.156 -5.698 -2.622 1.00 25.20 C ATOM 1454 CG1 VAL A 92 7.492 -6.048 -3.259 1.00 64.45 C ATOM 1455 CG2 VAL A 92 6.168 -6.012 -1.133 1.00 43.54 C ATOM 0 H VAL A 92 4.121 -4.585 -1.682 1.00 41.12 H new ATOM 0 HA VAL A 92 6.646 -3.599 -2.509 1.00 21.52 H new ATOM 0 HB VAL A 92 5.385 -6.308 -3.092 1.00 25.20 H new ATOM 0 HG11 VAL A 92 7.715 -7.100 -3.082 1.00 64.45 H new ATOM 0 HG12 VAL A 92 7.443 -5.863 -4.332 1.00 64.45 H new ATOM 0 HG13 VAL A 92 8.277 -5.432 -2.820 1.00 64.45 H new ATOM 0 HG21 VAL A 92 6.409 -7.065 -0.985 1.00 43.54 H new ATOM 0 HG22 VAL A 92 6.917 -5.395 -0.637 1.00 43.54 H new ATOM 0 HG23 VAL A 92 5.186 -5.802 -0.709 1.00 43.54 H new ATOM 1465 N ALA A 93 4.562 -4.586 -4.898 1.00 72.54 N ATOM 1466 CA ALA A 93 4.252 -4.444 -6.316 1.00 2.24 C ATOM 1467 C ALA A 93 3.952 -2.991 -6.668 1.00 44.15 C ATOM 1468 O ALA A 93 3.974 -2.609 -7.838 1.00 13.23 O ATOM 1469 CB ALA A 93 3.076 -5.334 -6.691 1.00 45.41 C ATOM 0 H ALA A 93 3.912 -5.178 -4.381 1.00 72.54 H new ATOM 0 HA ALA A 93 5.126 -4.756 -6.888 1.00 2.24 H new ATOM 0 HB1 ALA A 93 2.856 -5.218 -7.752 1.00 45.41 H new ATOM 0 HB2 ALA A 93 3.327 -6.374 -6.484 1.00 45.41 H new ATOM 0 HB3 ALA A 93 2.202 -5.048 -6.106 1.00 45.41 H new ATOM 1475 N GLY A 94 3.672 -2.185 -5.649 1.00 3.50 N ATOM 1476 CA GLY A 94 3.371 -0.783 -5.873 1.00 3.31 C ATOM 1477 C GLY A 94 4.587 0.106 -5.701 1.00 41.13 C ATOM 1478 O GLY A 94 5.121 0.636 -6.677 1.00 12.12 O ATOM 0 H GLY A 94 3.648 -2.478 -4.672 1.00 3.50 H new ATOM 0 HA2 GLY A 94 2.972 -0.657 -6.879 1.00 3.31 H new ATOM 0 HA3 GLY A 94 2.592 -0.466 -5.179 1.00 3.31 H new ATOM 1482 N LEU A 95 5.026 0.272 -4.458 1.00 60.35 N ATOM 1483 CA LEU A 95 6.186 1.104 -4.161 1.00 44.55 C ATOM 1484 C LEU A 95 7.435 0.564 -4.851 1.00 2.21 C ATOM 1485 O LEU A 95 8.179 1.312 -5.487 1.00 3.13 O ATOM 1486 CB LEU A 95 6.414 1.176 -2.651 1.00 25.44 C ATOM 1487 CG LEU A 95 5.451 2.068 -1.868 1.00 11.24 C ATOM 1488 CD1 LEU A 95 5.426 3.471 -2.455 1.00 21.12 C ATOM 1489 CD2 LEU A 95 4.053 1.466 -1.860 1.00 43.40 C ATOM 0 H LEU A 95 4.596 -0.159 -3.640 1.00 60.35 H new ATOM 0 HA LEU A 95 5.989 2.107 -4.540 1.00 44.55 H new ATOM 0 HB2 LEU A 95 6.352 0.166 -2.246 1.00 25.44 H new ATOM 0 HB3 LEU A 95 7.430 1.529 -2.474 1.00 25.44 H new ATOM 0 HG LEU A 95 5.803 2.133 -0.838 1.00 11.24 H new ATOM 0 HD11 LEU A 95 4.735 4.092 -1.885 1.00 21.12 H new ATOM 0 HD12 LEU A 95 6.426 3.903 -2.408 1.00 21.12 H new ATOM 0 HD13 LEU A 95 5.099 3.425 -3.494 1.00 21.12 H new ATOM 0 HD21 LEU A 95 3.381 2.114 -1.298 1.00 43.40 H new ATOM 0 HD22 LEU A 95 3.692 1.370 -2.884 1.00 43.40 H new ATOM 0 HD23 LEU A 95 4.083 0.482 -1.392 1.00 43.40 H new ATOM 1501 N LEU A 96 7.658 -0.739 -4.723 1.00 22.13 N ATOM 1502 CA LEU A 96 8.816 -1.381 -5.335 1.00 61.04 C ATOM 1503 C LEU A 96 8.546 -1.707 -6.801 1.00 31.02 C ATOM 1504 O LEU A 96 9.398 -2.267 -7.489 1.00 74.43 O ATOM 1505 CB LEU A 96 9.177 -2.658 -4.575 1.00 65.32 C ATOM 1506 CG LEU A 96 10.541 -2.664 -3.883 1.00 70.42 C ATOM 1507 CD1 LEU A 96 11.660 -2.550 -4.907 1.00 13.01 C ATOM 1508 CD2 LEU A 96 10.628 -1.535 -2.867 1.00 22.33 C ATOM 0 H LEU A 96 7.052 -1.372 -4.201 1.00 22.13 H new ATOM 0 HA LEU A 96 9.655 -0.686 -5.285 1.00 61.04 H new ATOM 0 HB2 LEU A 96 8.409 -2.839 -3.823 1.00 65.32 H new ATOM 0 HB3 LEU A 96 9.142 -3.495 -5.273 1.00 65.32 H new ATOM 0 HG LEU A 96 10.655 -3.611 -3.355 1.00 70.42 H new ATOM 0 HD11 LEU A 96 12.623 -2.556 -4.396 1.00 13.01 H new ATOM 0 HD12 LEU A 96 11.610 -3.393 -5.596 1.00 13.01 H new ATOM 0 HD13 LEU A 96 11.550 -1.619 -5.464 1.00 13.01 H new ATOM 0 HD21 LEU A 96 11.605 -1.554 -2.384 1.00 22.33 H new ATOM 0 HD22 LEU A 96 10.492 -0.579 -3.373 1.00 22.33 H new ATOM 0 HD23 LEU A 96 9.849 -1.661 -2.115 1.00 22.33 H new ATOM 1520 N ASN A 97 7.355 -1.350 -7.271 1.00 63.04 N ATOM 1521 CA ASN A 97 6.973 -1.603 -8.656 1.00 24.20 C ATOM 1522 C ASN A 97 7.200 -3.066 -9.024 1.00 35.52 C ATOM 1523 O ASN A 97 7.459 -3.393 -10.182 1.00 11.14 O ATOM 1524 CB ASN A 97 7.769 -0.700 -9.600 1.00 4.42 C ATOM 1525 CG ASN A 97 7.724 0.757 -9.181 1.00 10.23 C ATOM 1526 OD1 ASN A 97 6.652 1.356 -9.093 1.00 41.33 O ATOM 1527 ND2 ASN A 97 8.891 1.334 -8.919 1.00 41.12 N ATOM 0 H ASN A 97 6.638 -0.885 -6.714 1.00 63.04 H new ATOM 0 HA ASN A 97 5.911 -1.380 -8.760 1.00 24.20 H new ATOM 0 HB2 ASN A 97 8.806 -1.035 -9.630 1.00 4.42 H new ATOM 0 HB3 ASN A 97 7.373 -0.797 -10.611 1.00 4.42 H new ATOM 0 HD21 ASN A 97 8.923 2.312 -8.632 1.00 41.12 H new ATOM 0 HD22 ASN A 97 9.755 0.799 -9.005 1.00 41.12 H new ATOM 1534 N MET A 98 7.099 -3.943 -8.030 1.00 33.10 N ATOM 1535 CA MET A 98 7.290 -5.372 -8.250 1.00 24.05 C ATOM 1536 C MET A 98 6.036 -6.004 -8.846 1.00 3.55 C ATOM 1537 O MET A 98 5.102 -5.304 -9.237 1.00 14.41 O ATOM 1538 CB MET A 98 7.651 -6.068 -6.936 1.00 13.25 C ATOM 1539 CG MET A 98 8.810 -7.043 -7.062 1.00 73.23 C ATOM 1540 SD MET A 98 10.416 -6.235 -6.926 1.00 13.01 S ATOM 1541 CE MET A 98 10.951 -6.254 -8.635 1.00 73.42 C ATOM 0 H MET A 98 6.886 -3.689 -7.065 1.00 33.10 H new ATOM 0 HA MET A 98 8.110 -5.499 -8.957 1.00 24.05 H new ATOM 0 HB2 MET A 98 7.902 -5.313 -6.191 1.00 13.25 H new ATOM 0 HB3 MET A 98 6.776 -6.602 -6.565 1.00 13.25 H new ATOM 0 HG2 MET A 98 8.724 -7.805 -6.287 1.00 73.23 H new ATOM 0 HG3 MET A 98 8.746 -7.556 -8.022 1.00 73.23 H new ATOM 0 HE1 MET A 98 12.022 -6.057 -8.683 1.00 73.42 H new ATOM 0 HE2 MET A 98 10.742 -7.231 -9.071 1.00 73.42 H new ATOM 0 HE3 MET A 98 10.415 -5.486 -9.193 1.00 73.42 H new ATOM 1551 N THR A 99 6.022 -7.331 -8.912 1.00 70.34 N ATOM 1552 CA THR A 99 4.884 -8.057 -9.462 1.00 13.30 C ATOM 1553 C THR A 99 4.974 -9.544 -9.142 1.00 75.44 C ATOM 1554 O THR A 99 5.191 -10.369 -10.031 1.00 11.53 O ATOM 1555 CB THR A 99 4.786 -7.876 -10.989 1.00 24.14 C ATOM 1556 OG1 THR A 99 3.796 -8.760 -11.524 1.00 73.34 O ATOM 1557 CG2 THR A 99 6.128 -8.148 -11.652 1.00 40.32 C ATOM 0 H THR A 99 6.786 -7.925 -8.591 1.00 70.34 H new ATOM 0 HA THR A 99 3.990 -7.642 -8.997 1.00 13.30 H new ATOM 0 HB THR A 99 4.499 -6.844 -11.194 1.00 24.14 H new ATOM 0 HG1 THR A 99 4.081 -9.688 -11.393 1.00 73.34 H new ATOM 0 HG21 THR A 99 6.035 -8.014 -12.730 1.00 40.32 H new ATOM 0 HG22 THR A 99 6.873 -7.454 -11.263 1.00 40.32 H new ATOM 0 HG23 THR A 99 6.439 -9.171 -11.439 1.00 40.32 H new ATOM 1565 N VAL A 100 4.804 -9.883 -7.868 1.00 42.40 N ATOM 1566 CA VAL A 100 4.864 -11.272 -7.431 1.00 64.43 C ATOM 1567 C VAL A 100 3.835 -12.124 -8.166 1.00 25.30 C ATOM 1568 O VAL A 100 3.115 -11.634 -9.035 1.00 41.23 O ATOM 1569 CB VAL A 100 4.627 -11.395 -5.914 1.00 42.14 C ATOM 1570 CG1 VAL A 100 5.796 -10.802 -5.141 1.00 75.25 C ATOM 1571 CG2 VAL A 100 3.321 -10.720 -5.524 1.00 3.44 C ATOM 0 H VAL A 100 4.623 -9.214 -7.120 1.00 42.40 H new ATOM 0 HA VAL A 100 5.865 -11.634 -7.665 1.00 64.43 H new ATOM 0 HB VAL A 100 4.554 -12.452 -5.659 1.00 42.14 H new ATOM 0 HG11 VAL A 100 5.611 -10.898 -4.071 1.00 75.25 H new ATOM 0 HG12 VAL A 100 6.711 -11.335 -5.400 1.00 75.25 H new ATOM 0 HG13 VAL A 100 5.905 -9.748 -5.397 1.00 75.25 H new ATOM 0 HG21 VAL A 100 3.169 -10.816 -4.449 1.00 3.44 H new ATOM 0 HG22 VAL A 100 3.363 -9.664 -5.792 1.00 3.44 H new ATOM 0 HG23 VAL A 100 2.494 -11.195 -6.052 1.00 3.44 H new ATOM 1581 N SER A 101 3.772 -13.403 -7.810 1.00 72.42 N ATOM 1582 CA SER A 101 2.833 -14.326 -8.438 1.00 51.31 C ATOM 1583 C SER A 101 1.738 -14.737 -7.458 1.00 52.55 C ATOM 1584 O SER A 101 0.639 -15.119 -7.861 1.00 72.43 O ATOM 1585 CB SER A 101 3.568 -15.566 -8.949 1.00 21.45 C ATOM 1586 OG SER A 101 3.626 -15.579 -10.364 1.00 54.34 O ATOM 0 H SER A 101 4.360 -13.824 -7.090 1.00 72.42 H new ATOM 0 HA SER A 101 2.369 -13.815 -9.281 1.00 51.31 H new ATOM 0 HB2 SER A 101 4.578 -15.587 -8.541 1.00 21.45 H new ATOM 0 HB3 SER A 101 3.062 -16.464 -8.595 1.00 21.45 H new ATOM 0 HG SER A 101 4.102 -16.381 -10.665 1.00 54.34 H new ATOM 1592 N THR A 102 2.046 -14.654 -6.168 1.00 33.43 N ATOM 1593 CA THR A 102 1.090 -15.018 -5.129 1.00 70.23 C ATOM 1594 C THR A 102 1.214 -14.098 -3.921 1.00 3.43 C ATOM 1595 O THR A 102 2.270 -13.512 -3.680 1.00 72.44 O ATOM 1596 CB THR A 102 1.285 -16.476 -4.672 1.00 61.11 C ATOM 1597 OG1 THR A 102 2.451 -16.579 -3.847 1.00 13.24 O ATOM 1598 CG2 THR A 102 1.422 -17.405 -5.869 1.00 52.00 C ATOM 0 H THR A 102 2.950 -14.338 -5.817 1.00 33.43 H new ATOM 0 HA THR A 102 0.096 -14.911 -5.563 1.00 70.23 H new ATOM 0 HB THR A 102 0.407 -16.774 -4.099 1.00 61.11 H new ATOM 0 HG1 THR A 102 2.567 -17.509 -3.559 1.00 13.24 H new ATOM 0 HG21 THR A 102 1.559 -18.429 -5.521 1.00 52.00 H new ATOM 0 HG22 THR A 102 0.521 -17.347 -6.480 1.00 52.00 H new ATOM 0 HG23 THR A 102 2.284 -17.106 -6.465 1.00 52.00 H new ATOM 1606 N ALA A 103 0.130 -13.974 -3.163 1.00 33.34 N ATOM 1607 CA ALA A 103 0.119 -13.127 -1.977 1.00 12.31 C ATOM 1608 C ALA A 103 1.274 -13.473 -1.044 1.00 20.23 C ATOM 1609 O ALA A 103 1.894 -12.589 -0.453 1.00 71.22 O ATOM 1610 CB ALA A 103 -1.210 -13.258 -1.247 1.00 4.34 C ATOM 0 H ALA A 103 -0.753 -14.450 -3.349 1.00 33.34 H new ATOM 0 HA ALA A 103 0.244 -12.093 -2.298 1.00 12.31 H new ATOM 0 HB1 ALA A 103 -1.204 -12.620 -0.363 1.00 4.34 H new ATOM 0 HB2 ALA A 103 -2.020 -12.953 -1.909 1.00 4.34 H new ATOM 0 HB3 ALA A 103 -1.359 -14.295 -0.945 1.00 4.34 H new ATOM 1616 N ALA A 104 1.558 -14.765 -0.915 1.00 35.20 N ATOM 1617 CA ALA A 104 2.639 -15.228 -0.054 1.00 42.15 C ATOM 1618 C ALA A 104 3.991 -14.730 -0.556 1.00 33.14 C ATOM 1619 O ALA A 104 4.819 -14.263 0.225 1.00 0.32 O ATOM 1620 CB ALA A 104 2.633 -16.747 0.031 1.00 53.01 C ATOM 0 H ALA A 104 1.054 -15.510 -1.396 1.00 35.20 H new ATOM 0 HA ALA A 104 2.477 -14.819 0.943 1.00 42.15 H new ATOM 0 HB1 ALA A 104 3.446 -17.078 0.677 1.00 53.01 H new ATOM 0 HB2 ALA A 104 1.682 -17.085 0.442 1.00 53.01 H new ATOM 0 HB3 ALA A 104 2.767 -17.168 -0.966 1.00 53.01 H new ATOM 1626 N ALA A 105 4.207 -14.834 -1.863 1.00 33.22 N ATOM 1627 CA ALA A 105 5.457 -14.393 -2.468 1.00 23.21 C ATOM 1628 C ALA A 105 5.729 -12.925 -2.158 1.00 25.10 C ATOM 1629 O ALA A 105 6.863 -12.541 -1.874 1.00 4.13 O ATOM 1630 CB ALA A 105 5.425 -14.620 -3.972 1.00 54.21 C ATOM 0 H ALA A 105 3.532 -15.220 -2.523 1.00 33.22 H new ATOM 0 HA ALA A 105 6.267 -14.984 -2.040 1.00 23.21 H new ATOM 0 HB1 ALA A 105 6.365 -14.286 -4.410 1.00 54.21 H new ATOM 0 HB2 ALA A 105 5.286 -15.682 -4.177 1.00 54.21 H new ATOM 0 HB3 ALA A 105 4.601 -14.055 -4.408 1.00 54.21 H new ATOM 1636 N ALA A 106 4.682 -12.109 -2.216 1.00 21.04 N ATOM 1637 CA ALA A 106 4.809 -10.683 -1.940 1.00 35.33 C ATOM 1638 C ALA A 106 5.254 -10.440 -0.502 1.00 14.24 C ATOM 1639 O ALA A 106 6.250 -9.760 -0.258 1.00 14.42 O ATOM 1640 CB ALA A 106 3.491 -9.974 -2.214 1.00 13.13 C ATOM 0 H ALA A 106 3.737 -12.411 -2.452 1.00 21.04 H new ATOM 0 HA ALA A 106 5.573 -10.276 -2.602 1.00 35.33 H new ATOM 0 HB1 ALA A 106 3.600 -8.910 -2.004 1.00 13.13 H new ATOM 0 HB2 ALA A 106 3.215 -10.111 -3.259 1.00 13.13 H new ATOM 0 HB3 ALA A 106 2.713 -10.392 -1.575 1.00 13.13 H new ATOM 1646 N GLU A 107 4.508 -10.999 0.447 1.00 63.25 N ATOM 1647 CA GLU A 107 4.827 -10.840 1.861 1.00 72.44 C ATOM 1648 C GLU A 107 6.223 -11.374 2.167 1.00 2.11 C ATOM 1649 O GLU A 107 6.921 -10.853 3.036 1.00 42.23 O ATOM 1650 CB GLU A 107 3.791 -11.565 2.724 1.00 44.52 C ATOM 1651 CG GLU A 107 4.135 -11.578 4.204 1.00 64.33 C ATOM 1652 CD GLU A 107 4.638 -12.930 4.673 1.00 10.44 C ATOM 1653 OE1 GLU A 107 3.838 -13.889 4.687 1.00 4.44 O ATOM 1654 OE2 GLU A 107 5.832 -13.028 5.027 1.00 51.33 O ATOM 0 H GLU A 107 3.680 -11.565 0.262 1.00 63.25 H new ATOM 0 HA GLU A 107 4.805 -9.776 2.095 1.00 72.44 H new ATOM 0 HB2 GLU A 107 2.820 -11.088 2.589 1.00 44.52 H new ATOM 0 HB3 GLU A 107 3.693 -12.592 2.373 1.00 44.52 H new ATOM 0 HG2 GLU A 107 4.895 -10.822 4.403 1.00 64.33 H new ATOM 0 HG3 GLU A 107 3.252 -11.302 4.781 1.00 64.33 H new ATOM 1661 N ASN A 108 6.623 -12.417 1.447 1.00 31.10 N ATOM 1662 CA ASN A 108 7.935 -13.023 1.642 1.00 2.21 C ATOM 1663 C ASN A 108 9.046 -12.018 1.354 1.00 4.22 C ATOM 1664 O ASN A 108 9.928 -11.797 2.184 1.00 15.23 O ATOM 1665 CB ASN A 108 8.094 -14.248 0.739 1.00 12.15 C ATOM 1666 CG ASN A 108 7.796 -15.545 1.467 1.00 1.33 C ATOM 1667 OD1 ASN A 108 6.806 -15.650 2.192 1.00 43.24 O ATOM 1668 ND2 ASN A 108 8.655 -16.540 1.277 1.00 15.05 N ATOM 0 H ASN A 108 6.057 -12.860 0.723 1.00 31.10 H new ATOM 0 HA ASN A 108 8.012 -13.335 2.683 1.00 2.21 H new ATOM 0 HB2 ASN A 108 7.427 -14.154 -0.118 1.00 12.15 H new ATOM 0 HB3 ASN A 108 9.111 -14.279 0.349 1.00 12.15 H new ATOM 0 HD21 ASN A 108 8.508 -17.436 1.741 1.00 15.05 H new ATOM 0 HD22 ASN A 108 9.462 -16.408 0.667 1.00 15.05 H new ATOM 1675 N MET A 109 8.997 -11.412 0.172 1.00 10.24 N ATOM 1676 CA MET A 109 9.998 -10.429 -0.224 1.00 44.33 C ATOM 1677 C MET A 109 9.867 -9.154 0.603 1.00 32.13 C ATOM 1678 O MET A 109 10.851 -8.454 0.843 1.00 53.32 O ATOM 1679 CB MET A 109 9.861 -10.101 -1.712 1.00 51.04 C ATOM 1680 CG MET A 109 11.090 -9.430 -2.303 1.00 3.10 C ATOM 1681 SD MET A 109 10.674 -8.114 -3.464 1.00 35.45 S ATOM 1682 CE MET A 109 11.090 -6.665 -2.497 1.00 31.45 C ATOM 0 H MET A 109 8.275 -11.585 -0.528 1.00 10.24 H new ATOM 0 HA MET A 109 10.983 -10.859 -0.043 1.00 44.33 H new ATOM 0 HB2 MET A 109 9.660 -11.021 -2.261 1.00 51.04 H new ATOM 0 HB3 MET A 109 8.998 -9.450 -1.854 1.00 51.04 H new ATOM 0 HG2 MET A 109 11.698 -9.019 -1.497 1.00 3.10 H new ATOM 0 HG3 MET A 109 11.698 -10.178 -2.811 1.00 3.10 H new ATOM 0 HE1 MET A 109 11.249 -5.817 -3.163 1.00 31.45 H new ATOM 0 HE2 MET A 109 10.274 -6.439 -1.810 1.00 31.45 H new ATOM 0 HE3 MET A 109 12.000 -6.856 -1.929 1.00 31.45 H new ATOM 1692 N TYR A 110 8.646 -8.859 1.037 1.00 64.22 N ATOM 1693 CA TYR A 110 8.386 -7.667 1.835 1.00 22.23 C ATOM 1694 C TYR A 110 9.176 -7.703 3.140 1.00 14.33 C ATOM 1695 O TYR A 110 9.750 -6.698 3.559 1.00 41.31 O ATOM 1696 CB TYR A 110 6.891 -7.544 2.134 1.00 61.21 C ATOM 1697 CG TYR A 110 6.555 -6.424 3.092 1.00 22.15 C ATOM 1698 CD1 TYR A 110 6.592 -6.625 4.467 1.00 52.22 C ATOM 1699 CD2 TYR A 110 6.202 -5.165 2.624 1.00 43.45 C ATOM 1700 CE1 TYR A 110 6.285 -5.604 5.346 1.00 71.50 C ATOM 1701 CE2 TYR A 110 5.895 -4.138 3.495 1.00 3.05 C ATOM 1702 CZ TYR A 110 5.938 -4.363 4.856 1.00 55.04 C ATOM 1703 OH TYR A 110 5.633 -3.344 5.728 1.00 14.43 O ATOM 0 H TYR A 110 7.821 -9.429 0.849 1.00 64.22 H new ATOM 0 HA TYR A 110 8.707 -6.798 1.260 1.00 22.23 H new ATOM 0 HB2 TYR A 110 6.354 -7.384 1.199 1.00 61.21 H new ATOM 0 HB3 TYR A 110 6.534 -8.486 2.550 1.00 61.21 H new ATOM 0 HD1 TYR A 110 6.865 -7.595 4.855 1.00 52.22 H new ATOM 0 HD2 TYR A 110 6.167 -4.986 1.560 1.00 43.45 H new ATOM 0 HE1 TYR A 110 6.317 -5.777 6.412 1.00 71.50 H new ATOM 0 HE2 TYR A 110 5.623 -3.165 3.113 1.00 3.05 H new ATOM 0 HH TYR A 110 5.411 -2.535 5.221 1.00 14.43 H new ATOM 1713 N SER A 111 9.199 -8.869 3.778 1.00 4.54 N ATOM 1714 CA SER A 111 9.915 -9.036 5.038 1.00 62.23 C ATOM 1715 C SER A 111 11.355 -9.474 4.790 1.00 65.23 C ATOM 1716 O SER A 111 12.250 -9.178 5.582 1.00 72.43 O ATOM 1717 CB SER A 111 9.203 -10.063 5.921 1.00 51.51 C ATOM 1718 OG SER A 111 9.841 -10.181 7.181 1.00 73.23 O ATOM 0 H SER A 111 8.731 -9.711 3.444 1.00 4.54 H new ATOM 0 HA SER A 111 9.929 -8.074 5.550 1.00 62.23 H new ATOM 0 HB2 SER A 111 8.163 -9.767 6.062 1.00 51.51 H new ATOM 0 HB3 SER A 111 9.194 -11.032 5.422 1.00 51.51 H new ATOM 0 HG SER A 111 9.367 -10.842 7.727 1.00 73.23 H new ATOM 1724 N GLN A 112 11.570 -10.181 3.685 1.00 45.23 N ATOM 1725 CA GLN A 112 12.902 -10.661 3.332 1.00 14.53 C ATOM 1726 C GLN A 112 13.894 -9.505 3.257 1.00 63.23 C ATOM 1727 O GLN A 112 14.999 -9.587 3.793 1.00 72.30 O ATOM 1728 CB GLN A 112 12.862 -11.403 1.995 1.00 12.33 C ATOM 1729 CG GLN A 112 14.216 -11.935 1.554 1.00 33.05 C ATOM 1730 CD GLN A 112 14.191 -12.500 0.148 1.00 51.32 C ATOM 1731 OE1 GLN A 112 13.332 -12.146 -0.660 1.00 74.53 O ATOM 1732 NE2 GLN A 112 15.136 -13.382 -0.153 1.00 23.42 N ATOM 0 H GLN A 112 10.840 -10.434 3.019 1.00 45.23 H new ATOM 0 HA GLN A 112 13.232 -11.349 4.111 1.00 14.53 H new ATOM 0 HB2 GLN A 112 12.161 -12.235 2.071 1.00 12.33 H new ATOM 0 HB3 GLN A 112 12.477 -10.731 1.228 1.00 12.33 H new ATOM 0 HG2 GLN A 112 14.952 -11.133 1.606 1.00 33.05 H new ATOM 0 HG3 GLN A 112 14.541 -12.711 2.247 1.00 33.05 H new ATOM 0 HE21 GLN A 112 15.828 -13.647 0.548 1.00 23.42 H new ATOM 0 HE22 GLN A 112 15.170 -13.795 -1.085 1.00 23.42 H new ATOM 1741 N MET A 113 13.493 -8.430 2.587 1.00 40.30 N ATOM 1742 CA MET A 113 14.348 -7.257 2.442 1.00 31.12 C ATOM 1743 C MET A 113 13.859 -6.115 3.328 1.00 70.25 C ATOM 1744 O MET A 113 14.238 -4.961 3.134 1.00 53.22 O ATOM 1745 CB MET A 113 14.386 -6.805 0.981 1.00 3.32 C ATOM 1746 CG MET A 113 15.260 -7.679 0.097 1.00 25.10 C ATOM 1747 SD MET A 113 16.277 -6.719 -1.042 1.00 34.22 S ATOM 1748 CE MET A 113 16.984 -8.023 -2.046 1.00 1.04 C ATOM 0 H MET A 113 12.582 -8.346 2.136 1.00 40.30 H new ATOM 0 HA MET A 113 15.355 -7.531 2.756 1.00 31.12 H new ATOM 0 HB2 MET A 113 13.371 -6.801 0.584 1.00 3.32 H new ATOM 0 HB3 MET A 113 14.750 -5.778 0.936 1.00 3.32 H new ATOM 0 HG2 MET A 113 15.906 -8.293 0.725 1.00 25.10 H new ATOM 0 HG3 MET A 113 14.628 -8.360 -0.473 1.00 25.10 H new ATOM 0 HE1 MET A 113 17.640 -7.587 -2.800 1.00 1.04 H new ATOM 0 HE2 MET A 113 17.559 -8.699 -1.413 1.00 1.04 H new ATOM 0 HE3 MET A 113 16.185 -8.578 -2.537 1.00 1.04 H new ATOM 1758 N GLY A 114 13.015 -6.446 4.300 1.00 13.22 N ATOM 1759 CA GLY A 114 12.488 -5.437 5.200 1.00 11.50 C ATOM 1760 C GLY A 114 11.883 -4.259 4.461 1.00 62.42 C ATOM 1761 O GLY A 114 11.868 -3.138 4.970 1.00 31.14 O ATOM 0 H GLY A 114 12.687 -7.395 4.480 1.00 13.22 H new ATOM 0 HA2 GLY A 114 11.731 -5.887 5.842 1.00 11.50 H new ATOM 0 HA3 GLY A 114 13.287 -5.082 5.851 1.00 11.50 H new ATOM 1765 N LEU A 115 11.385 -4.513 3.256 1.00 41.54 N ATOM 1766 CA LEU A 115 10.778 -3.464 2.443 1.00 35.12 C ATOM 1767 C LEU A 115 11.797 -2.384 2.097 1.00 1.32 C ATOM 1768 O LEU A 115 11.520 -1.191 2.226 1.00 63.04 O ATOM 1769 CB LEU A 115 9.590 -2.843 3.181 1.00 22.33 C ATOM 1770 CG LEU A 115 8.618 -2.031 2.325 1.00 31.11 C ATOM 1771 CD1 LEU A 115 7.999 -2.905 1.245 1.00 23.12 C ATOM 1772 CD2 LEU A 115 7.535 -1.407 3.194 1.00 65.12 C ATOM 0 H LEU A 115 11.389 -5.435 2.820 1.00 41.54 H new ATOM 0 HA LEU A 115 10.426 -3.915 1.515 1.00 35.12 H new ATOM 0 HB2 LEU A 115 9.033 -3.643 3.668 1.00 22.33 H new ATOM 0 HB3 LEU A 115 9.975 -2.197 3.970 1.00 22.33 H new ATOM 0 HG LEU A 115 9.174 -1.229 1.840 1.00 31.11 H new ATOM 0 HD11 LEU A 115 7.310 -2.310 0.646 1.00 23.12 H new ATOM 0 HD12 LEU A 115 8.786 -3.304 0.604 1.00 23.12 H new ATOM 0 HD13 LEU A 115 7.457 -3.729 1.710 1.00 23.12 H new ATOM 0 HD21 LEU A 115 6.852 -0.833 2.568 1.00 65.12 H new ATOM 0 HD22 LEU A 115 6.982 -2.194 3.707 1.00 65.12 H new ATOM 0 HD23 LEU A 115 7.994 -0.747 3.930 1.00 65.12 H new ATOM 1784 N ASP A 116 12.976 -2.809 1.656 1.00 34.41 N ATOM 1785 CA ASP A 116 14.036 -1.878 1.288 1.00 71.42 C ATOM 1786 C ASP A 116 14.480 -2.104 -0.154 1.00 43.40 C ATOM 1787 O ASP A 116 14.375 -3.211 -0.683 1.00 14.15 O ATOM 1788 CB ASP A 116 15.229 -2.032 2.232 1.00 2.22 C ATOM 1789 CG ASP A 116 15.771 -0.696 2.703 1.00 73.15 C ATOM 1790 OD1 ASP A 116 14.978 0.114 3.225 1.00 55.41 O ATOM 1791 OD2 ASP A 116 16.988 -0.461 2.547 1.00 14.14 O ATOM 0 H ASP A 116 13.222 -3.793 1.545 1.00 34.41 H new ATOM 0 HA ASP A 116 13.643 -0.865 1.374 1.00 71.42 H new ATOM 0 HB2 ASP A 116 14.930 -2.625 3.097 1.00 2.22 H new ATOM 0 HB3 ASP A 116 16.021 -2.584 1.725 1.00 2.22 H new ATOM 1796 N THR A 117 14.977 -1.045 -0.787 1.00 63.30 N ATOM 1797 CA THR A 117 15.435 -1.126 -2.168 1.00 65.51 C ATOM 1798 C THR A 117 16.783 -1.833 -2.260 1.00 30.32 C ATOM 1799 O THR A 117 17.529 -1.896 -1.283 1.00 22.34 O ATOM 1800 CB THR A 117 15.558 0.272 -2.802 1.00 70.15 C ATOM 1801 OG1 THR A 117 15.124 1.271 -1.873 1.00 40.11 O ATOM 1802 CG2 THR A 117 14.731 0.363 -4.076 1.00 34.22 C ATOM 0 H THR A 117 15.072 -0.121 -0.365 1.00 63.30 H new ATOM 0 HA THR A 117 14.688 -1.701 -2.715 1.00 65.51 H new ATOM 0 HB THR A 117 16.605 0.442 -3.054 1.00 70.15 H new ATOM 0 HG1 THR A 117 15.207 2.157 -2.283 1.00 40.11 H new ATOM 0 HG21 THR A 117 14.833 1.359 -4.506 1.00 34.22 H new ATOM 0 HG22 THR A 117 15.083 -0.379 -4.792 1.00 34.22 H new ATOM 0 HG23 THR A 117 13.683 0.174 -3.844 1.00 34.22 H new ATOM 1810 N ARG A 118 17.089 -2.363 -3.440 1.00 31.35 N ATOM 1811 CA ARG A 118 18.347 -3.066 -3.658 1.00 62.40 C ATOM 1812 C ARG A 118 19.531 -2.216 -3.207 1.00 12.33 C ATOM 1813 O ARG A 118 19.452 -0.990 -3.129 1.00 13.50 O ATOM 1814 CB ARG A 118 18.502 -3.432 -5.135 1.00 40.25 C ATOM 1815 CG ARG A 118 18.132 -2.303 -6.084 1.00 24.01 C ATOM 1816 CD ARG A 118 16.828 -2.591 -6.811 1.00 64.23 C ATOM 1817 NE ARG A 118 17.055 -3.050 -8.179 1.00 54.13 N ATOM 1818 CZ ARG A 118 17.464 -2.256 -9.162 1.00 42.04 C ATOM 1819 NH1 ARG A 118 17.692 -0.971 -8.930 1.00 13.32 N ATOM 1820 NH2 ARG A 118 17.648 -2.748 -10.381 1.00 55.41 N ATOM 0 H ARG A 118 16.483 -2.319 -4.259 1.00 31.35 H new ATOM 0 HA ARG A 118 18.331 -3.980 -3.064 1.00 62.40 H new ATOM 0 HB2 ARG A 118 19.534 -3.728 -5.321 1.00 40.25 H new ATOM 0 HB3 ARG A 118 17.878 -4.298 -5.353 1.00 40.25 H new ATOM 0 HG2 ARG A 118 18.040 -1.372 -5.525 1.00 24.01 H new ATOM 0 HG3 ARG A 118 18.931 -2.161 -6.811 1.00 24.01 H new ATOM 0 HD2 ARG A 118 16.267 -3.348 -6.263 1.00 64.23 H new ATOM 0 HD3 ARG A 118 16.215 -1.690 -6.828 1.00 64.23 H new ATOM 0 HE ARG A 118 16.890 -4.034 -8.391 1.00 54.13 H new ATOM 0 HH11 ARG A 118 17.553 -0.589 -7.994 1.00 13.32 H new ATOM 0 HH12 ARG A 118 18.006 -0.364 -9.687 1.00 13.32 H new ATOM 0 HH21 ARG A 118 17.475 -3.737 -10.563 1.00 55.41 H new ATOM 0 HH22 ARG A 118 17.962 -2.137 -11.135 1.00 55.41 H new ATOM 1834 N PRO A 119 20.655 -2.880 -2.901 1.00 61.21 N ATOM 1835 CA PRO A 119 21.877 -2.205 -2.452 1.00 75.23 C ATOM 1836 C PRO A 119 22.538 -1.402 -3.567 1.00 11.21 C ATOM 1837 O PRO A 119 23.480 -1.869 -4.206 1.00 43.24 O ATOM 1838 CB PRO A 119 22.781 -3.361 -2.017 1.00 40.20 C ATOM 1839 CG PRO A 119 22.303 -4.533 -2.803 1.00 12.23 C ATOM 1840 CD PRO A 119 20.821 -4.342 -2.971 1.00 12.23 C ATOM 0 HA PRO A 119 21.677 -1.482 -1.661 1.00 75.23 H new ATOM 0 HB2 PRO A 119 23.829 -3.145 -2.226 1.00 40.20 H new ATOM 0 HB3 PRO A 119 22.701 -3.544 -0.945 1.00 40.20 H new ATOM 0 HG2 PRO A 119 22.802 -4.584 -3.771 1.00 12.23 H new ATOM 0 HG3 PRO A 119 22.520 -5.466 -2.283 1.00 12.23 H new ATOM 0 HD2 PRO A 119 20.470 -4.741 -3.923 1.00 12.23 H new ATOM 0 HD3 PRO A 119 20.259 -4.848 -2.186 1.00 12.23 H new ATOM 1848 N SER A 120 22.038 -0.191 -3.794 1.00 62.33 N ATOM 1849 CA SER A 120 22.579 0.676 -4.835 1.00 31.15 C ATOM 1850 C SER A 120 22.935 2.047 -4.268 1.00 23.11 C ATOM 1851 O SER A 120 22.646 2.346 -3.110 1.00 14.21 O ATOM 1852 CB SER A 120 21.571 0.829 -5.975 1.00 51.21 C ATOM 1853 OG SER A 120 21.798 -0.134 -6.989 1.00 41.04 O ATOM 0 H SER A 120 21.260 0.212 -3.272 1.00 62.33 H new ATOM 0 HA SER A 120 23.487 0.215 -5.223 1.00 31.15 H new ATOM 0 HB2 SER A 120 20.558 0.721 -5.586 1.00 51.21 H new ATOM 0 HB3 SER A 120 21.645 1.831 -6.398 1.00 51.21 H new ATOM 0 HG SER A 120 21.140 -0.016 -7.705 1.00 41.04 H new ATOM 1859 N MET A 121 23.566 2.876 -5.094 1.00 30.45 N ATOM 1860 CA MET A 121 23.961 4.216 -4.676 1.00 24.32 C ATOM 1861 C MET A 121 24.287 5.088 -5.884 1.00 63.32 C ATOM 1862 O MET A 121 24.919 4.634 -6.838 1.00 62.43 O ATOM 1863 CB MET A 121 25.171 4.146 -3.742 1.00 31.34 C ATOM 1864 CG MET A 121 25.569 5.493 -3.161 1.00 31.02 C ATOM 1865 SD MET A 121 25.653 5.475 -1.360 1.00 4.32 S ATOM 1866 CE MET A 121 24.490 6.775 -0.954 1.00 11.15 C ATOM 0 H MET A 121 23.814 2.643 -6.056 1.00 30.45 H new ATOM 0 HA MET A 121 23.124 4.664 -4.141 1.00 24.32 H new ATOM 0 HB2 MET A 121 24.950 3.458 -2.926 1.00 31.34 H new ATOM 0 HB3 MET A 121 26.018 3.731 -4.288 1.00 31.34 H new ATOM 0 HG2 MET A 121 26.539 5.785 -3.563 1.00 31.02 H new ATOM 0 HG3 MET A 121 24.851 6.248 -3.480 1.00 31.02 H new ATOM 0 HE1 MET A 121 24.431 6.885 0.129 1.00 11.15 H new ATOM 0 HE2 MET A 121 24.824 7.713 -1.397 1.00 11.15 H new ATOM 0 HE3 MET A 121 23.506 6.519 -1.347 1.00 11.15 H new ATOM 1876 N LYS A 122 23.852 6.342 -5.837 1.00 42.34 N ATOM 1877 CA LYS A 122 24.098 7.279 -6.927 1.00 40.13 C ATOM 1878 C LYS A 122 25.586 7.593 -7.050 1.00 13.13 C ATOM 1879 O LYS A 122 26.242 7.170 -8.001 1.00 32.12 O ATOM 1880 CB LYS A 122 23.310 8.572 -6.704 1.00 32.32 C ATOM 1881 CG LYS A 122 21.859 8.483 -7.145 1.00 1.42 C ATOM 1882 CD LYS A 122 21.011 7.738 -6.127 1.00 44.25 C ATOM 1883 CE LYS A 122 19.543 8.119 -6.240 1.00 70.50 C ATOM 1884 NZ LYS A 122 18.674 7.222 -5.428 1.00 1.31 N ATOM 0 H LYS A 122 23.327 6.734 -5.055 1.00 42.34 H new ATOM 0 HA LYS A 122 23.765 6.813 -7.854 1.00 40.13 H new ATOM 0 HB2 LYS A 122 23.344 8.831 -5.646 1.00 32.32 H new ATOM 0 HB3 LYS A 122 23.797 9.383 -7.246 1.00 32.32 H new ATOM 0 HG2 LYS A 122 21.459 9.487 -7.288 1.00 1.42 H new ATOM 0 HG3 LYS A 122 21.801 7.977 -8.108 1.00 1.42 H new ATOM 0 HD2 LYS A 122 21.122 6.664 -6.276 1.00 44.25 H new ATOM 0 HD3 LYS A 122 21.369 7.959 -5.122 1.00 44.25 H new ATOM 0 HE2 LYS A 122 19.409 9.150 -5.912 1.00 70.50 H new ATOM 0 HE3 LYS A 122 19.235 8.075 -7.285 1.00 70.50 H new ATOM 0 HZ1 LYS A 122 17.681 7.514 -5.531 1.00 1.31 H new ATOM 0 HZ2 LYS A 122 18.783 6.242 -5.758 1.00 1.31 H new ATOM 0 HZ3 LYS A 122 18.951 7.283 -4.427 1.00 1.31 H new ATOM 1898 N GLU A 123 26.111 8.336 -6.080 1.00 51.15 N ATOM 1899 CA GLU A 123 27.522 8.705 -6.081 1.00 14.10 C ATOM 1900 C GLU A 123 27.878 9.490 -7.340 1.00 41.21 C ATOM 1901 O GLU A 123 28.787 9.116 -8.081 1.00 12.31 O ATOM 1902 CB GLU A 123 28.399 7.455 -5.981 1.00 14.44 C ATOM 1903 CG GLU A 123 29.725 7.697 -5.279 1.00 53.13 C ATOM 1904 CD GLU A 123 29.692 7.300 -3.816 1.00 53.12 C ATOM 1905 OE1 GLU A 123 28.584 7.227 -3.245 1.00 74.25 O ATOM 1906 OE2 GLU A 123 30.775 7.062 -3.242 1.00 42.31 O ATOM 0 H GLU A 123 25.581 8.694 -5.285 1.00 51.15 H new ATOM 0 HA GLU A 123 27.706 9.339 -5.214 1.00 14.10 H new ATOM 0 HB2 GLU A 123 27.851 6.679 -5.447 1.00 14.44 H new ATOM 0 HB3 GLU A 123 28.592 7.076 -6.984 1.00 14.44 H new ATOM 0 HG2 GLU A 123 30.508 7.134 -5.787 1.00 53.13 H new ATOM 0 HG3 GLU A 123 29.987 8.752 -5.359 1.00 53.13 H new ATOM 1913 N ALA A 124 27.155 10.580 -7.575 1.00 50.22 N ATOM 1914 CA ALA A 124 27.395 11.419 -8.743 1.00 1.02 C ATOM 1915 C ALA A 124 27.161 10.643 -10.034 1.00 73.41 C ATOM 1916 O ALA A 124 28.100 10.126 -10.638 1.00 75.42 O ATOM 1917 CB ALA A 124 28.810 11.977 -8.710 1.00 1.24 C ATOM 0 H ALA A 124 26.398 10.903 -6.972 1.00 50.22 H new ATOM 0 HA ALA A 124 26.688 12.248 -8.715 1.00 1.02 H new ATOM 0 HB1 ALA A 124 28.975 12.601 -9.588 1.00 1.24 H new ATOM 0 HB2 ALA A 124 28.944 12.575 -7.809 1.00 1.24 H new ATOM 0 HB3 ALA A 124 29.525 11.155 -8.710 1.00 1.24 H new ATOM 1923 N GLY A 125 25.901 10.564 -10.452 1.00 12.10 N ATOM 1924 CA GLY A 125 25.566 9.848 -11.669 1.00 22.10 C ATOM 1925 C GLY A 125 24.283 10.349 -12.302 1.00 65.05 C ATOM 1926 O GLY A 125 24.290 11.337 -13.035 1.00 54.14 O ATOM 0 H GLY A 125 25.106 10.983 -9.969 1.00 12.10 H new ATOM 0 HA2 GLY A 125 26.383 9.949 -12.383 1.00 22.10 H new ATOM 0 HA3 GLY A 125 25.467 8.786 -11.446 1.00 22.10 H new ATOM 1930 N GLY A 126 23.179 9.664 -12.021 1.00 0.22 N ATOM 1931 CA GLY A 126 21.899 10.060 -12.578 1.00 33.41 C ATOM 1932 C GLY A 126 21.591 9.352 -13.882 1.00 73.15 C ATOM 1933 O GLY A 126 22.301 9.523 -14.873 1.00 70.05 O ATOM 0 H GLY A 126 23.148 8.842 -11.418 1.00 0.22 H new ATOM 0 HA2 GLY A 126 21.110 9.846 -11.857 1.00 33.41 H new ATOM 0 HA3 GLY A 126 21.896 11.137 -12.743 1.00 33.41 H new ATOM 1937 N LYS A 127 20.529 8.553 -13.884 1.00 23.41 N ATOM 1938 CA LYS A 127 20.128 7.815 -15.076 1.00 12.01 C ATOM 1939 C LYS A 127 18.700 8.169 -15.479 1.00 60.14 C ATOM 1940 O LYS A 127 18.460 8.648 -16.587 1.00 12.10 O ATOM 1941 CB LYS A 127 20.241 6.309 -14.831 1.00 65.30 C ATOM 1942 CG LYS A 127 21.674 5.814 -14.736 1.00 5.44 C ATOM 1943 CD LYS A 127 21.764 4.511 -13.959 1.00 44.40 C ATOM 1944 CE LYS A 127 22.173 4.751 -12.514 1.00 3.12 C ATOM 1945 NZ LYS A 127 23.486 4.122 -12.197 1.00 55.30 N ATOM 0 H LYS A 127 19.930 8.400 -13.073 1.00 23.41 H new ATOM 0 HA LYS A 127 20.797 8.096 -15.889 1.00 12.01 H new ATOM 0 HB2 LYS A 127 19.717 6.059 -13.908 1.00 65.30 H new ATOM 0 HB3 LYS A 127 19.735 5.779 -15.638 1.00 65.30 H new ATOM 0 HG2 LYS A 127 22.077 5.669 -15.738 1.00 5.44 H new ATOM 0 HG3 LYS A 127 22.290 6.571 -14.251 1.00 5.44 H new ATOM 0 HD2 LYS A 127 20.800 4.003 -13.986 1.00 44.40 H new ATOM 0 HD3 LYS A 127 22.486 3.850 -14.438 1.00 44.40 H new ATOM 0 HE2 LYS A 127 22.229 5.823 -12.326 1.00 3.12 H new ATOM 0 HE3 LYS A 127 21.408 4.350 -11.849 1.00 3.12 H new ATOM 0 HZ1 LYS A 127 23.729 4.308 -11.203 1.00 55.30 H new ATOM 0 HZ2 LYS A 127 23.426 3.095 -12.352 1.00 55.30 H new ATOM 0 HZ3 LYS A 127 24.221 4.523 -12.814 1.00 55.30 H new ATOM 1959 N GLU A 128 17.757 7.931 -14.573 1.00 62.50 N ATOM 1960 CA GLU A 128 16.354 8.225 -14.836 1.00 54.31 C ATOM 1961 C GLU A 128 15.642 8.668 -13.561 1.00 3.13 C ATOM 1962 O GLU A 128 15.969 8.212 -12.466 1.00 20.52 O ATOM 1963 CB GLU A 128 15.653 6.998 -15.424 1.00 3.41 C ATOM 1964 CG GLU A 128 15.802 6.877 -16.931 1.00 72.32 C ATOM 1965 CD GLU A 128 15.166 5.614 -17.480 1.00 41.20 C ATOM 1966 OE1 GLU A 128 14.805 4.733 -16.672 1.00 30.01 O ATOM 1967 OE2 GLU A 128 15.030 5.507 -18.717 1.00 31.15 O ATOM 0 H GLU A 128 17.940 7.535 -13.651 1.00 62.50 H new ATOM 0 HA GLU A 128 16.310 9.040 -15.558 1.00 54.31 H new ATOM 0 HB2 GLU A 128 16.055 6.100 -14.954 1.00 3.41 H new ATOM 0 HB3 GLU A 128 14.593 7.041 -15.174 1.00 3.41 H new ATOM 0 HG2 GLU A 128 15.348 7.745 -17.408 1.00 72.32 H new ATOM 0 HG3 GLU A 128 16.861 6.888 -17.190 1.00 72.32 H new ATOM 1974 N GLU A 129 14.669 9.561 -13.712 1.00 71.24 N ATOM 1975 CA GLU A 129 13.913 10.066 -12.573 1.00 13.33 C ATOM 1976 C GLU A 129 12.689 9.196 -12.302 1.00 71.35 C ATOM 1977 O GLU A 129 12.256 9.052 -11.160 1.00 22.51 O ATOM 1978 CB GLU A 129 13.479 11.512 -12.821 1.00 54.44 C ATOM 1979 CG GLU A 129 12.685 11.698 -14.104 1.00 20.32 C ATOM 1980 CD GLU A 129 13.312 12.717 -15.035 1.00 75.14 C ATOM 1981 OE1 GLU A 129 14.338 12.390 -15.667 1.00 60.04 O ATOM 1982 OE2 GLU A 129 12.776 13.841 -15.133 1.00 22.25 O ATOM 0 H GLU A 129 14.386 9.949 -14.612 1.00 71.24 H new ATOM 0 HA GLU A 129 14.561 10.033 -11.697 1.00 13.33 H new ATOM 0 HB2 GLU A 129 12.876 11.851 -11.978 1.00 54.44 H new ATOM 0 HB3 GLU A 129 14.364 12.147 -12.856 1.00 54.44 H new ATOM 0 HG2 GLU A 129 12.605 10.741 -14.620 1.00 20.32 H new ATOM 0 HG3 GLU A 129 11.671 12.012 -13.857 1.00 20.32 H new ATOM 1989 N GLY A 130 12.135 8.617 -13.364 1.00 40.40 N ATOM 1990 CA GLY A 130 10.966 7.769 -13.221 1.00 43.02 C ATOM 1991 C GLY A 130 11.324 6.298 -13.139 1.00 50.35 C ATOM 1992 O GLY A 130 12.473 5.905 -13.341 1.00 21.22 O ATOM 0 H GLY A 130 12.475 8.720 -14.320 1.00 40.40 H new ATOM 0 HA2 GLY A 130 10.419 8.057 -12.323 1.00 43.02 H new ATOM 0 HA3 GLY A 130 10.298 7.931 -14.067 1.00 43.02 H new ATOM 1996 N PRO A 131 10.324 5.458 -12.836 1.00 14.03 N ATOM 1997 CA PRO A 131 10.515 4.009 -12.719 1.00 55.25 C ATOM 1998 C PRO A 131 10.789 3.351 -14.067 1.00 62.21 C ATOM 1999 O PRO A 131 10.618 3.954 -15.126 1.00 41.35 O ATOM 2000 CB PRO A 131 9.181 3.521 -12.147 1.00 64.44 C ATOM 2001 CG PRO A 131 8.189 4.549 -12.569 1.00 31.44 C ATOM 2002 CD PRO A 131 8.929 5.858 -12.583 1.00 21.52 C ATOM 0 HA PRO A 131 11.377 3.759 -12.100 1.00 55.25 H new ATOM 0 HB2 PRO A 131 8.920 2.536 -12.535 1.00 64.44 H new ATOM 0 HB3 PRO A 131 9.224 3.434 -11.061 1.00 64.44 H new ATOM 0 HG2 PRO A 131 7.784 4.319 -13.555 1.00 31.44 H new ATOM 0 HG3 PRO A 131 7.346 4.585 -11.879 1.00 31.44 H new ATOM 0 HD2 PRO A 131 8.554 6.523 -13.361 1.00 21.52 H new ATOM 0 HD3 PRO A 131 8.828 6.387 -11.635 1.00 21.52 H new ATOM 2010 N PRO A 132 11.225 2.083 -14.029 1.00 62.12 N ATOM 2011 CA PRO A 132 11.532 1.315 -15.240 1.00 32.35 C ATOM 2012 C PRO A 132 10.280 0.964 -16.036 1.00 32.40 C ATOM 2013 O PRO A 132 9.179 1.399 -15.701 1.00 54.33 O ATOM 2014 CB PRO A 132 12.193 0.046 -14.696 1.00 63.31 C ATOM 2015 CG PRO A 132 11.659 -0.098 -13.313 1.00 53.40 C ATOM 2016 CD PRO A 132 11.452 1.301 -12.802 1.00 11.41 C ATOM 0 HA PRO A 132 12.160 1.877 -15.931 1.00 32.35 H new ATOM 0 HB2 PRO A 132 11.946 -0.822 -15.308 1.00 63.31 H new ATOM 0 HB3 PRO A 132 13.279 0.136 -14.693 1.00 63.31 H new ATOM 0 HG2 PRO A 132 10.723 -0.656 -13.312 1.00 53.40 H new ATOM 0 HG3 PRO A 132 12.357 -0.646 -12.680 1.00 53.40 H new ATOM 0 HD2 PRO A 132 10.600 1.359 -12.125 1.00 11.41 H new ATOM 0 HD3 PRO A 132 12.321 1.660 -12.252 1.00 11.41 H new ATOM 2024 N GLN A 133 10.457 0.174 -17.090 1.00 72.31 N ATOM 2025 CA GLN A 133 9.340 -0.235 -17.934 1.00 30.12 C ATOM 2026 C GLN A 133 8.625 0.979 -18.517 1.00 1.52 C ATOM 2027 O GLN A 133 7.429 1.172 -18.299 1.00 23.21 O ATOM 2028 CB GLN A 133 8.353 -1.087 -17.133 1.00 4.40 C ATOM 2029 CG GLN A 133 8.913 -2.437 -16.717 1.00 63.43 C ATOM 2030 CD GLN A 133 8.160 -3.597 -17.338 1.00 30.42 C ATOM 2031 OE1 GLN A 133 6.930 -3.641 -17.307 1.00 32.53 O ATOM 2032 NE2 GLN A 133 8.896 -4.545 -17.906 1.00 71.25 N ATOM 0 H GLN A 133 11.362 -0.195 -17.380 1.00 72.31 H new ATOM 0 HA GLN A 133 9.738 -0.829 -18.757 1.00 30.12 H new ATOM 0 HB2 GLN A 133 8.052 -0.537 -16.241 1.00 4.40 H new ATOM 0 HB3 GLN A 133 7.454 -1.244 -17.729 1.00 4.40 H new ATOM 0 HG2 GLN A 133 9.963 -2.495 -17.004 1.00 63.43 H new ATOM 0 HG3 GLN A 133 8.874 -2.523 -15.631 1.00 63.43 H new ATOM 0 HE21 GLN A 133 9.913 -4.468 -17.909 1.00 71.25 H new ATOM 0 HE22 GLN A 133 8.444 -5.350 -18.340 1.00 71.25 H new ATOM 2041 N ALA A 134 9.366 1.796 -19.258 1.00 50.45 N ATOM 2042 CA ALA A 134 8.802 2.991 -19.874 1.00 44.31 C ATOM 2043 C ALA A 134 8.318 3.977 -18.817 1.00 14.24 C ATOM 2044 O ALA A 134 8.476 3.744 -17.618 1.00 11.41 O ATOM 2045 CB ALA A 134 7.663 2.616 -20.810 1.00 21.41 C ATOM 0 H ALA A 134 10.358 1.652 -19.446 1.00 50.45 H new ATOM 0 HA ALA A 134 9.588 3.476 -20.453 1.00 44.31 H new ATOM 0 HB1 ALA A 134 7.252 3.518 -21.262 1.00 21.41 H new ATOM 0 HB2 ALA A 134 8.037 1.956 -21.592 1.00 21.41 H new ATOM 0 HB3 ALA A 134 6.882 2.105 -20.247 1.00 21.41 H new ATOM 2051 N TYR A 135 7.728 5.078 -19.268 1.00 15.55 N ATOM 2052 CA TYR A 135 7.222 6.101 -18.360 1.00 5.54 C ATOM 2053 C TYR A 135 6.386 7.132 -19.111 1.00 53.15 C ATOM 2054 O TYR A 135 6.556 7.326 -20.314 1.00 2.42 O ATOM 2055 CB TYR A 135 8.382 6.795 -17.643 1.00 24.31 C ATOM 2056 CG TYR A 135 9.369 7.451 -18.582 1.00 51.21 C ATOM 2057 CD1 TYR A 135 9.167 8.749 -19.036 1.00 63.13 C ATOM 2058 CD2 TYR A 135 10.502 6.774 -19.016 1.00 74.12 C ATOM 2059 CE1 TYR A 135 10.065 9.353 -19.895 1.00 64.31 C ATOM 2060 CE2 TYR A 135 11.406 7.370 -19.874 1.00 13.35 C ATOM 2061 CZ TYR A 135 11.183 8.660 -20.310 1.00 62.54 C ATOM 2062 OH TYR A 135 12.081 9.257 -21.166 1.00 32.44 O ATOM 0 H TYR A 135 7.588 5.285 -20.257 1.00 15.55 H new ATOM 0 HA TYR A 135 6.586 5.612 -17.622 1.00 5.54 H new ATOM 0 HB2 TYR A 135 7.981 7.549 -16.966 1.00 24.31 H new ATOM 0 HB3 TYR A 135 8.908 6.064 -17.029 1.00 24.31 H new ATOM 0 HD1 TYR A 135 8.293 9.295 -18.712 1.00 63.13 H new ATOM 0 HD2 TYR A 135 10.679 5.764 -18.677 1.00 74.12 H new ATOM 0 HE1 TYR A 135 9.892 10.362 -20.239 1.00 64.31 H new ATOM 0 HE2 TYR A 135 12.282 6.830 -20.201 1.00 13.35 H new ATOM 0 HH TYR A 135 12.812 8.634 -21.359 1.00 32.44 H new TER 2072 TYR A 135