USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 62 HIS : no HE2:sc= 0.182 K(o=0.18,f=-0.68) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.103 (180deg=0) USER MOD Single : A 4 SER OG : rot 41:sc= 0.255 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.0323 (180deg=-0.339) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 19 MET CE :methyl 135:sc= -0.0544 (180deg=-0.659) USER MOD Single : A 25 ASN : amide:sc= -0.897 K(o=-0.9,f=-10!) USER MOD Single : A 29 GLN : amide:sc= -0.0891 K(o=-0.089,f=-2.5) USER MOD Single : A 30 HIS : no HD1:sc= -0.993 K(o=-0.85,f=-4.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.104 USER MOD Single : A 35 THR OG1 : rot -95:sc= 0.0413 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -120:sc= 0.0808 USER MOD Single : A 61 GLN : amide:sc= 0.225 X(o=0.22,f=-0.11) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 69 LYS NZ :NH3+ 179:sc= 0.959 (180deg=0.938) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= -0.0301 (180deg=-0.243) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.713 1.655 -31.761 1.00 22.30 N ATOM 2 CA GLY A 1 16.271 0.488 -32.562 1.00 34.43 C ATOM 3 C GLY A 1 14.886 0.022 -32.172 1.00 54.31 C ATOM 4 O GLY A 1 14.186 0.723 -31.438 1.00 35.32 O ATOM 0 H1 GLY A 1 17.126 2.372 -32.391 1.00 22.30 H new ATOM 0 H2 GLY A 1 15.897 2.062 -31.261 1.00 22.30 H new ATOM 0 H3 GLY A 1 17.427 1.350 -31.068 1.00 22.30 H new ATOM 0 HA2 GLY A 1 16.280 0.751 -33.620 1.00 34.43 H new ATOM 0 HA3 GLY A 1 16.979 -0.330 -32.431 1.00 34.43 H new ATOM 10 N PRO A 2 14.449 -1.158 -32.655 1.00 3.42 N ATOM 11 CA PRO A 2 13.126 -1.701 -32.335 1.00 42.11 C ATOM 12 C PRO A 2 12.929 -1.880 -30.827 1.00 52.42 C ATOM 13 O PRO A 2 13.455 -2.820 -30.221 1.00 55.43 O ATOM 14 CB PRO A 2 13.092 -3.059 -33.065 1.00 10.24 C ATOM 15 CG PRO A 2 14.519 -3.376 -33.363 1.00 41.31 C ATOM 16 CD PRO A 2 15.205 -2.051 -33.552 1.00 31.52 C ATOM 0 HA PRO A 2 12.324 -1.032 -32.648 1.00 42.11 H new ATOM 0 HB2 PRO A 2 12.639 -3.830 -32.442 1.00 10.24 H new ATOM 0 HB3 PRO A 2 12.502 -3.000 -33.980 1.00 10.24 H new ATOM 0 HG2 PRO A 2 14.973 -3.938 -32.547 1.00 41.31 H new ATOM 0 HG3 PRO A 2 14.604 -3.991 -34.259 1.00 41.31 H new ATOM 0 HD2 PRO A 2 16.259 -2.099 -33.279 1.00 31.52 H new ATOM 0 HD3 PRO A 2 15.159 -1.716 -34.588 1.00 31.52 H new ATOM 24 N GLY A 3 12.194 -0.951 -30.230 1.00 45.01 N ATOM 25 CA GLY A 3 11.902 -1.003 -28.812 1.00 21.14 C ATOM 26 C GLY A 3 10.527 -0.443 -28.516 1.00 63.20 C ATOM 27 O GLY A 3 10.380 0.749 -28.236 1.00 32.45 O ATOM 0 H GLY A 3 11.789 -0.149 -30.713 1.00 45.01 H new ATOM 0 HA2 GLY A 3 11.960 -2.034 -28.463 1.00 21.14 H new ATOM 0 HA3 GLY A 3 12.654 -0.437 -28.262 1.00 21.14 H new ATOM 31 N SER A 4 9.515 -1.302 -28.604 1.00 33.30 N ATOM 32 CA SER A 4 8.134 -0.899 -28.377 1.00 22.20 C ATOM 33 C SER A 4 7.954 -0.351 -26.963 1.00 43.34 C ATOM 34 O SER A 4 8.133 -1.079 -25.982 1.00 12.55 O ATOM 35 CB SER A 4 7.200 -2.094 -28.609 1.00 64.22 C ATOM 36 OG SER A 4 7.621 -3.222 -27.854 1.00 5.04 O ATOM 0 H SER A 4 9.629 -2.289 -28.833 1.00 33.30 H new ATOM 0 HA SER A 4 7.882 -0.106 -29.081 1.00 22.20 H new ATOM 0 HB2 SER A 4 6.182 -1.824 -28.330 1.00 64.22 H new ATOM 0 HB3 SER A 4 7.183 -2.347 -29.669 1.00 64.22 H new ATOM 0 HG SER A 4 7.910 -2.931 -26.964 1.00 5.04 H new ATOM 42 N MET A 5 7.608 0.929 -26.863 1.00 14.31 N ATOM 43 CA MET A 5 7.353 1.566 -25.572 1.00 21.41 C ATOM 44 C MET A 5 5.967 1.157 -25.074 1.00 3.22 C ATOM 45 O MET A 5 5.068 1.990 -24.918 1.00 24.55 O ATOM 46 CB MET A 5 7.468 3.095 -25.694 1.00 54.22 C ATOM 47 CG MET A 5 7.366 3.846 -24.371 1.00 4.32 C ATOM 48 SD MET A 5 8.717 3.447 -23.242 1.00 52.35 S ATOM 49 CE MET A 5 8.312 4.496 -21.847 1.00 62.22 C ATOM 0 H MET A 5 7.497 1.550 -27.665 1.00 14.31 H new ATOM 0 HA MET A 5 8.099 1.236 -24.849 1.00 21.41 H new ATOM 0 HB2 MET A 5 8.422 3.338 -26.162 1.00 54.22 H new ATOM 0 HB3 MET A 5 6.684 3.453 -26.362 1.00 54.22 H new ATOM 0 HG2 MET A 5 7.364 4.919 -24.565 1.00 4.32 H new ATOM 0 HG3 MET A 5 6.416 3.607 -23.894 1.00 4.32 H new ATOM 0 HE1 MET A 5 9.057 4.362 -21.063 1.00 62.22 H new ATOM 0 HE2 MET A 5 8.304 5.538 -22.166 1.00 62.22 H new ATOM 0 HE3 MET A 5 7.328 4.226 -21.462 1.00 62.22 H new ATOM 59 N LYS A 6 5.811 -0.144 -24.862 1.00 60.02 N ATOM 60 CA LYS A 6 4.560 -0.745 -24.427 1.00 0.51 C ATOM 61 C LYS A 6 4.760 -2.251 -24.318 1.00 20.35 C ATOM 62 O LYS A 6 5.198 -2.888 -25.278 1.00 72.41 O ATOM 63 CB LYS A 6 3.418 -0.441 -25.413 1.00 22.24 C ATOM 64 CG LYS A 6 2.084 -1.085 -25.031 1.00 51.21 C ATOM 65 CD LYS A 6 1.544 -0.551 -23.706 1.00 43.02 C ATOM 66 CE LYS A 6 1.120 0.911 -23.809 1.00 42.41 C ATOM 67 NZ LYS A 6 0.021 1.102 -24.794 1.00 41.11 N ATOM 0 H LYS A 6 6.563 -0.821 -24.990 1.00 60.02 H new ATOM 0 HA LYS A 6 4.282 -0.324 -23.461 1.00 0.51 H new ATOM 0 HB2 LYS A 6 3.284 0.639 -25.477 1.00 22.24 H new ATOM 0 HB3 LYS A 6 3.706 -0.786 -26.406 1.00 22.24 H new ATOM 0 HG2 LYS A 6 1.354 -0.900 -25.820 1.00 51.21 H new ATOM 0 HG3 LYS A 6 2.211 -2.165 -24.961 1.00 51.21 H new ATOM 0 HD2 LYS A 6 0.692 -1.154 -23.392 1.00 43.02 H new ATOM 0 HD3 LYS A 6 2.308 -0.653 -22.935 1.00 43.02 H new ATOM 0 HE2 LYS A 6 0.796 1.265 -22.830 1.00 42.41 H new ATOM 0 HE3 LYS A 6 1.977 1.518 -24.099 1.00 42.41 H new ATOM 0 HZ1 LYS A 6 -0.420 2.032 -24.646 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 0.407 1.051 -25.759 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 -0.693 0.356 -24.667 1.00 41.11 H new ATOM 81 N ILE A 7 4.465 -2.812 -23.154 1.00 20.42 N ATOM 82 CA ILE A 7 4.641 -4.238 -22.927 1.00 44.41 C ATOM 83 C ILE A 7 3.704 -4.718 -21.824 1.00 2.01 C ATOM 84 O ILE A 7 3.425 -3.985 -20.874 1.00 74.52 O ATOM 85 CB ILE A 7 6.112 -4.571 -22.549 1.00 64.54 C ATOM 86 CG1 ILE A 7 6.296 -6.087 -22.344 1.00 73.53 C ATOM 87 CG2 ILE A 7 6.542 -3.796 -21.301 1.00 60.11 C ATOM 88 CD1 ILE A 7 7.714 -6.491 -21.996 1.00 33.43 C ATOM 0 H ILE A 7 4.102 -2.299 -22.351 1.00 20.42 H new ATOM 0 HA ILE A 7 4.400 -4.755 -23.856 1.00 44.41 H new ATOM 0 HB ILE A 7 6.752 -4.262 -23.376 1.00 64.54 H new ATOM 0 HG12 ILE A 7 5.628 -6.420 -21.549 1.00 73.53 H new ATOM 0 HG13 ILE A 7 5.993 -6.606 -23.253 1.00 73.53 H new ATOM 0 HG21 ILE A 7 7.574 -4.045 -21.056 1.00 60.11 H new ATOM 0 HG22 ILE A 7 6.462 -2.726 -21.492 1.00 60.11 H new ATOM 0 HG23 ILE A 7 5.896 -4.064 -20.465 1.00 60.11 H new ATOM 0 HD11 ILE A 7 7.763 -7.572 -21.867 1.00 33.43 H new ATOM 0 HD12 ILE A 7 8.386 -6.190 -22.800 1.00 33.43 H new ATOM 0 HD13 ILE A 7 8.015 -6.001 -21.070 1.00 33.43 H new ATOM 100 N MET A 8 3.208 -5.939 -21.967 1.00 64.41 N ATOM 101 CA MET A 8 2.342 -6.551 -20.967 1.00 24.40 C ATOM 102 C MET A 8 2.890 -7.925 -20.600 1.00 34.32 C ATOM 103 O MET A 8 3.511 -8.591 -21.433 1.00 33.34 O ATOM 104 CB MET A 8 0.899 -6.668 -21.486 1.00 14.01 C ATOM 105 CG MET A 8 0.734 -7.599 -22.682 1.00 51.13 C ATOM 106 SD MET A 8 -0.979 -7.704 -23.245 1.00 50.30 S ATOM 107 CE MET A 8 -0.844 -8.917 -24.556 1.00 14.20 C ATOM 0 H MET A 8 3.393 -6.532 -22.776 1.00 64.41 H new ATOM 0 HA MET A 8 2.324 -5.919 -20.079 1.00 24.40 H new ATOM 0 HB2 MET A 8 0.262 -7.021 -20.675 1.00 14.01 H new ATOM 0 HB3 MET A 8 0.543 -5.675 -21.762 1.00 14.01 H new ATOM 0 HG2 MET A 8 1.361 -7.248 -23.501 1.00 51.13 H new ATOM 0 HG3 MET A 8 1.087 -8.595 -22.415 1.00 51.13 H new ATOM 0 HE1 MET A 8 -1.826 -9.085 -24.999 1.00 14.20 H new ATOM 0 HE2 MET A 8 -0.159 -8.551 -25.321 1.00 14.20 H new ATOM 0 HE3 MET A 8 -0.465 -9.854 -24.147 1.00 14.20 H new ATOM 117 N SER A 9 2.673 -8.341 -19.358 1.00 52.42 N ATOM 118 CA SER A 9 3.183 -9.619 -18.877 1.00 41.40 C ATOM 119 C SER A 9 2.145 -10.719 -19.087 1.00 52.44 C ATOM 120 O SER A 9 0.982 -10.573 -18.697 1.00 2.24 O ATOM 121 CB SER A 9 3.555 -9.512 -17.390 1.00 11.15 C ATOM 122 OG SER A 9 4.226 -10.679 -16.933 1.00 3.21 O ATOM 0 H SER A 9 2.146 -7.810 -18.664 1.00 52.42 H new ATOM 0 HA SER A 9 4.077 -9.876 -19.445 1.00 41.40 H new ATOM 0 HB2 SER A 9 4.192 -8.641 -17.236 1.00 11.15 H new ATOM 0 HB3 SER A 9 2.653 -9.355 -16.799 1.00 11.15 H new ATOM 0 HG SER A 9 4.450 -10.577 -15.984 1.00 3.21 H new ATOM 128 N ASP A 10 2.573 -11.800 -19.727 1.00 5.42 N ATOM 129 CA ASP A 10 1.743 -12.986 -19.917 1.00 71.14 C ATOM 130 C ASP A 10 2.039 -13.970 -18.778 1.00 13.53 C ATOM 131 O ASP A 10 2.666 -13.585 -17.788 1.00 34.12 O ATOM 132 CB ASP A 10 2.042 -13.600 -21.300 1.00 24.34 C ATOM 133 CG ASP A 10 1.040 -14.667 -21.719 1.00 63.12 C ATOM 134 OD1 ASP A 10 -0.072 -14.314 -22.160 1.00 0.04 O ATOM 135 OD2 ASP A 10 1.356 -15.870 -21.608 1.00 35.34 O ATOM 0 H ASP A 10 3.507 -11.881 -20.130 1.00 5.42 H new ATOM 0 HA ASP A 10 0.683 -12.734 -19.890 1.00 71.14 H new ATOM 0 HB2 ASP A 10 2.050 -12.806 -22.047 1.00 24.34 H new ATOM 0 HB3 ASP A 10 3.041 -14.036 -21.287 1.00 24.34 H new ATOM 140 N ASN A 11 1.587 -15.216 -18.894 1.00 24.23 N ATOM 141 CA ASN A 11 1.859 -16.237 -17.882 1.00 34.43 C ATOM 142 C ASN A 11 3.043 -17.109 -18.310 1.00 13.01 C ATOM 143 O ASN A 11 2.863 -18.102 -19.017 1.00 54.04 O ATOM 144 CB ASN A 11 0.620 -17.121 -17.653 1.00 22.21 C ATOM 145 CG ASN A 11 -0.575 -16.342 -17.131 1.00 23.50 C ATOM 146 OD1 ASN A 11 -0.747 -16.181 -15.924 1.00 72.51 O ATOM 147 ND2 ASN A 11 -1.413 -15.864 -18.038 1.00 70.34 N ATOM 0 H ASN A 11 1.028 -15.545 -19.681 1.00 24.23 H new ATOM 0 HA ASN A 11 2.106 -15.731 -16.949 1.00 34.43 H new ATOM 0 HB2 ASN A 11 0.349 -17.607 -18.590 1.00 22.21 H new ATOM 0 HB3 ASN A 11 0.870 -17.911 -16.945 1.00 22.21 H new ATOM 0 HD21 ASN A 11 -2.238 -15.340 -17.745 1.00 70.34 H new ATOM 0 HD22 ASN A 11 -1.234 -16.020 -19.030 1.00 70.34 H new ATOM 154 N PRO A 12 4.274 -16.766 -17.873 1.00 75.11 N ATOM 155 CA PRO A 12 5.492 -17.474 -18.294 1.00 13.21 C ATOM 156 C PRO A 12 5.671 -18.803 -17.565 1.00 32.31 C ATOM 157 O PRO A 12 6.656 -19.513 -17.770 1.00 35.35 O ATOM 158 CB PRO A 12 6.601 -16.487 -17.922 1.00 12.34 C ATOM 159 CG PRO A 12 6.074 -15.779 -16.721 1.00 23.15 C ATOM 160 CD PRO A 12 4.583 -15.668 -16.929 1.00 32.52 C ATOM 0 HA PRO A 12 5.478 -17.742 -19.350 1.00 13.21 H new ATOM 0 HB2 PRO A 12 7.536 -17.003 -17.702 1.00 12.34 H new ATOM 0 HB3 PRO A 12 6.805 -15.792 -18.736 1.00 12.34 H new ATOM 0 HG2 PRO A 12 6.301 -16.332 -15.810 1.00 23.15 H new ATOM 0 HG3 PRO A 12 6.529 -14.794 -16.617 1.00 23.15 H new ATOM 0 HD2 PRO A 12 4.039 -15.782 -15.991 1.00 32.52 H new ATOM 0 HD3 PRO A 12 4.308 -14.697 -17.341 1.00 32.52 H new ATOM 168 N PHE A 13 4.711 -19.129 -16.707 1.00 55.21 N ATOM 169 CA PHE A 13 4.733 -20.378 -15.957 1.00 54.02 C ATOM 170 C PHE A 13 3.648 -21.325 -16.470 1.00 42.42 C ATOM 171 O PHE A 13 3.512 -22.448 -15.984 1.00 10.34 O ATOM 172 CB PHE A 13 4.544 -20.105 -14.456 1.00 54.21 C ATOM 173 CG PHE A 13 3.239 -19.420 -14.107 1.00 45.45 C ATOM 174 CD1 PHE A 13 3.120 -18.038 -14.186 1.00 72.33 C ATOM 175 CD2 PHE A 13 2.135 -20.158 -13.696 1.00 71.32 C ATOM 176 CE1 PHE A 13 1.930 -17.410 -13.868 1.00 73.14 C ATOM 177 CE2 PHE A 13 0.944 -19.533 -13.376 1.00 63.22 C ATOM 178 CZ PHE A 13 0.842 -18.158 -13.460 1.00 55.23 C ATOM 0 H PHE A 13 3.901 -18.540 -16.513 1.00 55.21 H new ATOM 0 HA PHE A 13 5.703 -20.853 -16.101 1.00 54.02 H new ATOM 0 HB2 PHE A 13 4.600 -21.051 -13.917 1.00 54.21 H new ATOM 0 HB3 PHE A 13 5.370 -19.488 -14.104 1.00 54.21 H new ATOM 0 HD1 PHE A 13 3.968 -17.447 -14.500 1.00 72.33 H new ATOM 0 HD2 PHE A 13 2.209 -21.233 -13.626 1.00 71.32 H new ATOM 0 HE1 PHE A 13 1.851 -16.335 -13.938 1.00 73.14 H new ATOM 0 HE2 PHE A 13 0.094 -20.120 -13.061 1.00 63.22 H new ATOM 0 HZ PHE A 13 -0.087 -17.668 -13.207 1.00 55.23 H new ATOM 188 N ASP A 14 2.873 -20.860 -17.449 1.00 61.43 N ATOM 189 CA ASP A 14 1.807 -21.671 -18.040 1.00 1.10 C ATOM 190 C ASP A 14 2.327 -22.386 -19.283 1.00 23.42 C ATOM 191 O ASP A 14 1.925 -23.512 -19.587 1.00 64.53 O ATOM 192 CB ASP A 14 0.603 -20.793 -18.400 1.00 24.22 C ATOM 193 CG ASP A 14 -0.580 -21.603 -18.912 1.00 25.23 C ATOM 194 OD1 ASP A 14 -1.318 -22.176 -18.081 1.00 35.14 O ATOM 195 OD2 ASP A 14 -0.784 -21.666 -20.144 1.00 35.13 O ATOM 0 H ASP A 14 2.963 -19.926 -17.850 1.00 61.43 H new ATOM 0 HA ASP A 14 1.487 -22.414 -17.310 1.00 1.10 H new ATOM 0 HB2 ASP A 14 0.297 -20.225 -17.522 1.00 24.22 H new ATOM 0 HB3 ASP A 14 0.900 -20.070 -19.160 1.00 24.22 H new ATOM 200 N ASP A 15 3.226 -21.710 -19.995 1.00 24.15 N ATOM 201 CA ASP A 15 3.879 -22.276 -21.173 1.00 22.14 C ATOM 202 C ASP A 15 4.765 -23.453 -20.786 1.00 33.41 C ATOM 203 O ASP A 15 5.873 -23.272 -20.277 1.00 21.43 O ATOM 204 CB ASP A 15 4.723 -21.211 -21.896 1.00 33.54 C ATOM 205 CG ASP A 15 3.882 -20.172 -22.618 1.00 71.14 C ATOM 206 OD1 ASP A 15 3.117 -19.450 -21.948 1.00 4.14 O ATOM 207 OD2 ASP A 15 3.996 -20.061 -23.859 1.00 14.35 O ATOM 0 H ASP A 15 3.521 -20.759 -19.773 1.00 24.15 H new ATOM 0 HA ASP A 15 3.098 -22.626 -21.848 1.00 22.14 H new ATOM 0 HB2 ASP A 15 5.364 -20.710 -21.170 1.00 33.54 H new ATOM 0 HB3 ASP A 15 5.379 -21.702 -22.615 1.00 33.54 H new ATOM 212 N GLU A 16 4.273 -24.656 -21.043 1.00 64.42 N ATOM 213 CA GLU A 16 4.993 -25.886 -20.723 1.00 72.15 C ATOM 214 C GLU A 16 6.192 -26.074 -21.650 1.00 0.22 C ATOM 215 O GLU A 16 7.003 -26.983 -21.470 1.00 14.11 O ATOM 216 CB GLU A 16 4.041 -27.079 -20.831 1.00 10.52 C ATOM 217 CG GLU A 16 2.782 -26.899 -19.994 1.00 35.24 C ATOM 218 CD GLU A 16 1.957 -28.168 -19.875 1.00 43.11 C ATOM 219 OE1 GLU A 16 1.151 -28.447 -20.788 1.00 60.31 O ATOM 220 OE2 GLU A 16 2.091 -28.879 -18.858 1.00 71.15 O ATOM 0 H GLU A 16 3.364 -24.810 -21.479 1.00 64.42 H new ATOM 0 HA GLU A 16 5.369 -25.817 -19.702 1.00 72.15 H new ATOM 0 HB2 GLU A 16 3.762 -27.223 -21.875 1.00 10.52 H new ATOM 0 HB3 GLU A 16 4.559 -27.983 -20.512 1.00 10.52 H new ATOM 0 HG2 GLU A 16 3.062 -26.560 -18.996 1.00 35.24 H new ATOM 0 HG3 GLU A 16 2.168 -26.114 -20.436 1.00 35.24 H new ATOM 227 N ASP A 17 6.284 -25.209 -22.647 1.00 22.24 N ATOM 228 CA ASP A 17 7.412 -25.205 -23.578 1.00 3.22 C ATOM 229 C ASP A 17 8.677 -24.698 -22.892 1.00 74.54 C ATOM 230 O ASP A 17 9.792 -24.993 -23.336 1.00 14.22 O ATOM 231 CB ASP A 17 7.102 -24.340 -24.809 1.00 73.41 C ATOM 232 CG ASP A 17 6.038 -24.952 -25.705 1.00 11.32 C ATOM 233 OD1 ASP A 17 6.356 -25.918 -26.431 1.00 23.03 O ATOM 234 OD2 ASP A 17 4.880 -24.483 -25.679 1.00 74.33 O ATOM 0 H ASP A 17 5.585 -24.491 -22.837 1.00 22.24 H new ATOM 0 HA ASP A 17 7.577 -26.231 -23.905 1.00 3.22 H new ATOM 0 HB2 ASP A 17 6.772 -23.354 -24.481 1.00 73.41 H new ATOM 0 HB3 ASP A 17 8.016 -24.195 -25.385 1.00 73.41 H new ATOM 239 N GLY A 18 8.500 -23.948 -21.804 1.00 22.32 N ATOM 240 CA GLY A 18 9.632 -23.395 -21.080 1.00 55.12 C ATOM 241 C GLY A 18 10.305 -24.427 -20.193 1.00 21.01 C ATOM 242 O GLY A 18 9.835 -25.563 -20.083 1.00 22.31 O ATOM 0 H GLY A 18 7.588 -23.714 -21.411 1.00 22.32 H new ATOM 0 HA2 GLY A 18 10.358 -23.001 -21.791 1.00 55.12 H new ATOM 0 HA3 GLY A 18 9.296 -22.557 -20.469 1.00 55.12 H new ATOM 246 N MET A 19 11.413 -24.039 -19.569 1.00 71.05 N ATOM 247 CA MET A 19 12.139 -24.919 -18.655 1.00 33.54 C ATOM 248 C MET A 19 12.024 -24.374 -17.236 1.00 63.41 C ATOM 249 O MET A 19 12.252 -23.185 -17.003 1.00 61.02 O ATOM 250 CB MET A 19 13.619 -25.018 -19.065 1.00 64.03 C ATOM 251 CG MET A 19 13.829 -25.418 -20.522 1.00 15.00 C ATOM 252 SD MET A 19 15.575 -25.486 -20.982 1.00 45.42 S ATOM 253 CE MET A 19 16.145 -26.847 -19.967 1.00 24.42 C ATOM 0 H MET A 19 11.831 -23.115 -19.680 1.00 71.05 H new ATOM 0 HA MET A 19 11.704 -25.918 -18.699 1.00 33.54 H new ATOM 0 HB2 MET A 19 14.100 -24.056 -18.889 1.00 64.03 H new ATOM 0 HB3 MET A 19 14.116 -25.745 -18.423 1.00 64.03 H new ATOM 0 HG2 MET A 19 13.373 -26.393 -20.696 1.00 15.00 H new ATOM 0 HG3 MET A 19 13.315 -24.706 -21.168 1.00 15.00 H new ATOM 0 HE1 MET A 19 16.772 -27.509 -20.565 1.00 24.42 H new ATOM 0 HE2 MET A 19 16.723 -26.458 -19.129 1.00 24.42 H new ATOM 0 HE3 MET A 19 15.287 -27.403 -19.589 1.00 24.42 H new ATOM 263 N PHE A 20 11.650 -25.231 -16.294 1.00 61.25 N ATOM 264 CA PHE A 20 11.456 -24.817 -14.906 1.00 32.04 C ATOM 265 C PHE A 20 12.286 -25.705 -13.980 1.00 71.52 C ATOM 266 O PHE A 20 12.665 -26.812 -14.360 1.00 70.12 O ATOM 267 CB PHE A 20 9.972 -24.912 -14.519 1.00 3.13 C ATOM 268 CG PHE A 20 9.010 -24.416 -15.577 1.00 61.03 C ATOM 269 CD1 PHE A 20 9.136 -23.148 -16.126 1.00 54.41 C ATOM 270 CD2 PHE A 20 7.975 -25.229 -16.023 1.00 44.04 C ATOM 271 CE1 PHE A 20 8.252 -22.703 -17.092 1.00 24.51 C ATOM 272 CE2 PHE A 20 7.091 -24.786 -16.987 1.00 71.41 C ATOM 273 CZ PHE A 20 7.229 -23.524 -17.520 1.00 15.24 C ATOM 0 H PHE A 20 11.474 -26.221 -16.465 1.00 61.25 H new ATOM 0 HA PHE A 20 11.780 -23.781 -14.803 1.00 32.04 H new ATOM 0 HB2 PHE A 20 9.736 -25.951 -14.291 1.00 3.13 H new ATOM 0 HB3 PHE A 20 9.812 -24.341 -13.605 1.00 3.13 H new ATOM 0 HD1 PHE A 20 9.934 -22.500 -15.795 1.00 54.41 H new ATOM 0 HD2 PHE A 20 7.860 -26.220 -15.610 1.00 44.04 H new ATOM 0 HE1 PHE A 20 8.362 -21.714 -17.511 1.00 24.51 H new ATOM 0 HE2 PHE A 20 6.291 -25.430 -17.323 1.00 71.41 H new ATOM 0 HZ PHE A 20 6.537 -23.177 -18.273 1.00 15.24 H new ATOM 283 N PHE A 21 12.564 -25.222 -12.775 1.00 10.12 N ATOM 284 CA PHE A 21 13.312 -26.000 -11.784 1.00 12.01 C ATOM 285 C PHE A 21 12.411 -26.383 -10.616 1.00 31.14 C ATOM 286 O PHE A 21 11.477 -25.655 -10.277 1.00 62.34 O ATOM 287 CB PHE A 21 14.559 -25.238 -11.281 1.00 11.41 C ATOM 288 CG PHE A 21 14.559 -23.752 -11.535 1.00 11.11 C ATOM 289 CD1 PHE A 21 14.963 -23.253 -12.759 1.00 12.25 C ATOM 290 CD2 PHE A 21 14.171 -22.858 -10.550 1.00 14.31 C ATOM 291 CE1 PHE A 21 14.982 -21.897 -12.999 1.00 70.43 C ATOM 292 CE2 PHE A 21 14.186 -21.497 -10.782 1.00 22.23 C ATOM 293 CZ PHE A 21 14.593 -21.015 -12.009 1.00 73.54 C ATOM 0 H PHE A 21 12.284 -24.294 -12.456 1.00 10.12 H new ATOM 0 HA PHE A 21 13.659 -26.910 -12.273 1.00 12.01 H new ATOM 0 HB2 PHE A 21 14.657 -25.405 -10.208 1.00 11.41 H new ATOM 0 HB3 PHE A 21 15.442 -25.669 -11.753 1.00 11.41 H new ATOM 0 HD1 PHE A 21 15.268 -23.936 -13.538 1.00 12.25 H new ATOM 0 HD2 PHE A 21 13.853 -23.231 -9.588 1.00 14.31 H new ATOM 0 HE1 PHE A 21 15.301 -21.523 -13.961 1.00 70.43 H new ATOM 0 HE2 PHE A 21 13.880 -20.812 -10.005 1.00 22.23 H new ATOM 0 HZ PHE A 21 14.608 -19.951 -12.195 1.00 73.54 H new ATOM 303 N VAL A 22 12.697 -27.528 -9.999 1.00 32.43 N ATOM 304 CA VAL A 22 11.892 -28.033 -8.894 1.00 52.22 C ATOM 305 C VAL A 22 12.603 -27.720 -7.585 1.00 31.51 C ATOM 306 O VAL A 22 13.790 -28.030 -7.433 1.00 75.34 O ATOM 307 CB VAL A 22 11.643 -29.565 -9.011 1.00 44.01 C ATOM 308 CG1 VAL A 22 10.756 -30.069 -7.871 1.00 24.52 C ATOM 309 CG2 VAL A 22 11.031 -29.912 -10.373 1.00 1.01 C ATOM 0 H VAL A 22 13.485 -28.125 -10.249 1.00 32.43 H new ATOM 0 HA VAL A 22 10.919 -27.544 -8.924 1.00 52.22 H new ATOM 0 HB VAL A 22 12.606 -30.069 -8.931 1.00 44.01 H new ATOM 0 HG11 VAL A 22 10.599 -31.142 -7.979 1.00 24.52 H new ATOM 0 HG12 VAL A 22 11.241 -29.867 -6.916 1.00 24.52 H new ATOM 0 HG13 VAL A 22 9.794 -29.557 -7.905 1.00 24.52 H new ATOM 0 HG21 VAL A 22 10.865 -30.988 -10.434 1.00 1.01 H new ATOM 0 HG22 VAL A 22 10.080 -29.391 -10.488 1.00 1.01 H new ATOM 0 HG23 VAL A 22 11.712 -29.604 -11.167 1.00 1.01 H new ATOM 319 N LEU A 23 11.892 -27.083 -6.660 1.00 13.42 N ATOM 320 CA LEU A 23 12.482 -26.628 -5.399 1.00 60.42 C ATOM 321 C LEU A 23 11.882 -27.377 -4.218 1.00 65.53 C ATOM 322 O LEU A 23 10.859 -28.056 -4.353 1.00 63.14 O ATOM 323 CB LEU A 23 12.258 -25.117 -5.189 1.00 73.02 C ATOM 324 CG LEU A 23 12.945 -24.180 -6.197 1.00 31.12 C ATOM 325 CD1 LEU A 23 12.351 -24.346 -7.587 1.00 65.11 C ATOM 326 CD2 LEU A 23 12.852 -22.727 -5.729 1.00 32.23 C ATOM 0 H LEU A 23 10.900 -26.868 -6.758 1.00 13.42 H new ATOM 0 HA LEU A 23 13.552 -26.829 -5.457 1.00 60.42 H new ATOM 0 HB2 LEU A 23 11.186 -24.923 -5.217 1.00 73.02 H new ATOM 0 HB3 LEU A 23 12.603 -24.856 -4.189 1.00 73.02 H new ATOM 0 HG LEU A 23 13.999 -24.452 -6.252 1.00 31.12 H new ATOM 0 HD11 LEU A 23 12.854 -23.672 -8.281 1.00 65.11 H new ATOM 0 HD12 LEU A 23 12.485 -25.375 -7.919 1.00 65.11 H new ATOM 0 HD13 LEU A 23 11.287 -24.109 -7.559 1.00 65.11 H new ATOM 0 HD21 LEU A 23 13.343 -22.079 -6.455 1.00 32.23 H new ATOM 0 HD22 LEU A 23 11.804 -22.441 -5.638 1.00 32.23 H new ATOM 0 HD23 LEU A 23 13.342 -22.625 -4.761 1.00 32.23 H new ATOM 338 N ILE A 24 12.523 -27.233 -3.061 1.00 4.03 N ATOM 339 CA ILE A 24 12.016 -27.794 -1.817 1.00 14.44 C ATOM 340 C ILE A 24 12.212 -26.803 -0.672 1.00 20.22 C ATOM 341 O ILE A 24 13.215 -26.079 -0.625 1.00 63.42 O ATOM 342 CB ILE A 24 12.707 -29.138 -1.453 1.00 41.31 C ATOM 343 CG1 ILE A 24 11.941 -29.860 -0.332 1.00 51.34 C ATOM 344 CG2 ILE A 24 14.161 -28.907 -1.038 1.00 63.03 C ATOM 345 CD1 ILE A 24 12.553 -31.188 0.074 1.00 72.04 C ATOM 0 H ILE A 24 13.403 -26.727 -2.962 1.00 4.03 H new ATOM 0 HA ILE A 24 10.954 -27.990 -1.966 1.00 14.44 H new ATOM 0 HB ILE A 24 12.698 -29.771 -2.341 1.00 41.31 H new ATOM 0 HG12 ILE A 24 11.896 -29.209 0.541 1.00 51.34 H new ATOM 0 HG13 ILE A 24 10.914 -30.028 -0.657 1.00 51.34 H new ATOM 0 HG21 ILE A 24 14.624 -29.862 -0.788 1.00 63.03 H new ATOM 0 HG22 ILE A 24 14.705 -28.444 -1.861 1.00 63.03 H new ATOM 0 HG23 ILE A 24 14.191 -28.250 -0.169 1.00 63.03 H new ATOM 0 HD11 ILE A 24 11.956 -31.636 0.869 1.00 72.04 H new ATOM 0 HD12 ILE A 24 12.573 -31.858 -0.786 1.00 72.04 H new ATOM 0 HD13 ILE A 24 13.570 -31.026 0.431 1.00 72.04 H new ATOM 357 N ASN A 25 11.232 -26.749 0.218 1.00 75.55 N ATOM 358 CA ASN A 25 11.351 -26.009 1.467 1.00 14.42 C ATOM 359 C ASN A 25 11.585 -27.015 2.584 1.00 33.01 C ATOM 360 O ASN A 25 11.110 -28.155 2.499 1.00 70.04 O ATOM 361 CB ASN A 25 10.080 -25.194 1.745 1.00 41.24 C ATOM 362 CG ASN A 25 10.238 -24.163 2.860 1.00 20.01 C ATOM 363 OD1 ASN A 25 11.037 -24.329 3.780 1.00 54.42 O ATOM 364 ND2 ASN A 25 9.457 -23.096 2.794 1.00 44.54 N ATOM 0 H ASN A 25 10.333 -27.216 0.096 1.00 75.55 H new ATOM 0 HA ASN A 25 12.182 -25.307 1.403 1.00 14.42 H new ATOM 0 HB2 ASN A 25 9.781 -24.682 0.830 1.00 41.24 H new ATOM 0 HB3 ASN A 25 9.272 -25.877 2.007 1.00 41.24 H new ATOM 0 HD21 ASN A 25 9.508 -22.381 3.520 1.00 44.54 H new ATOM 0 HD22 ASN A 25 8.805 -22.989 2.017 1.00 44.54 H new ATOM 371 N ASP A 26 12.274 -26.572 3.630 1.00 0.51 N ATOM 372 CA ASP A 26 12.746 -27.439 4.718 1.00 41.45 C ATOM 373 C ASP A 26 11.641 -28.365 5.231 1.00 23.42 C ATOM 374 O ASP A 26 11.912 -29.487 5.668 1.00 60.33 O ATOM 375 CB ASP A 26 13.298 -26.579 5.862 1.00 15.32 C ATOM 376 CG ASP A 26 13.976 -27.401 6.947 1.00 11.14 C ATOM 377 OD1 ASP A 26 15.050 -27.985 6.674 1.00 61.45 O ATOM 378 OD2 ASP A 26 13.450 -27.463 8.079 1.00 61.30 O ATOM 0 H ASP A 26 12.526 -25.591 3.753 1.00 0.51 H new ATOM 0 HA ASP A 26 13.540 -28.073 4.323 1.00 41.45 H new ATOM 0 HB2 ASP A 26 14.012 -25.861 5.458 1.00 15.32 H new ATOM 0 HB3 ASP A 26 12.484 -26.005 6.304 1.00 15.32 H new ATOM 383 N GLU A 27 10.400 -27.904 5.136 1.00 22.54 N ATOM 384 CA GLU A 27 9.226 -28.702 5.500 1.00 61.02 C ATOM 385 C GLU A 27 8.879 -29.716 4.399 1.00 61.13 C ATOM 386 O GLU A 27 7.710 -30.064 4.216 1.00 71.33 O ATOM 387 CB GLU A 27 8.036 -27.767 5.755 1.00 25.02 C ATOM 388 CG GLU A 27 8.210 -26.873 6.975 1.00 4.32 C ATOM 389 CD GLU A 27 8.305 -27.671 8.265 1.00 34.53 C ATOM 390 OE1 GLU A 27 7.303 -28.308 8.644 1.00 73.21 O ATOM 391 OE2 GLU A 27 9.375 -27.669 8.907 1.00 24.01 O ATOM 0 H GLU A 27 10.174 -26.966 4.805 1.00 22.54 H new ATOM 0 HA GLU A 27 9.453 -29.263 6.407 1.00 61.02 H new ATOM 0 HB2 GLU A 27 7.882 -27.141 4.876 1.00 25.02 H new ATOM 0 HB3 GLU A 27 7.135 -28.367 5.881 1.00 25.02 H new ATOM 0 HG2 GLU A 27 9.110 -26.270 6.856 1.00 4.32 H new ATOM 0 HG3 GLU A 27 7.370 -26.182 7.039 1.00 4.32 H new ATOM 398 N GLU A 28 9.904 -30.212 3.699 1.00 74.33 N ATOM 399 CA GLU A 28 9.731 -31.160 2.601 1.00 5.20 C ATOM 400 C GLU A 28 8.771 -30.625 1.538 1.00 42.14 C ATOM 401 O GLU A 28 8.182 -31.394 0.784 1.00 30.30 O ATOM 402 CB GLU A 28 9.224 -32.495 3.155 1.00 11.13 C ATOM 403 CG GLU A 28 10.150 -33.114 4.192 1.00 44.12 C ATOM 404 CD GLU A 28 11.434 -33.650 3.588 1.00 45.01 C ATOM 405 OE1 GLU A 28 11.456 -34.825 3.154 1.00 15.51 O ATOM 406 OE2 GLU A 28 12.431 -32.904 3.545 1.00 33.23 O ATOM 0 H GLU A 28 10.877 -29.965 3.880 1.00 74.33 H new ATOM 0 HA GLU A 28 10.698 -31.306 2.120 1.00 5.20 H new ATOM 0 HB2 GLU A 28 8.241 -32.344 3.601 1.00 11.13 H new ATOM 0 HB3 GLU A 28 9.095 -33.196 2.330 1.00 11.13 H new ATOM 0 HG2 GLU A 28 10.393 -32.367 4.947 1.00 44.12 H new ATOM 0 HG3 GLU A 28 9.628 -33.924 4.702 1.00 44.12 H new ATOM 413 N GLN A 29 8.640 -29.305 1.450 1.00 64.21 N ATOM 414 CA GLN A 29 7.650 -28.720 0.544 1.00 51.25 C ATOM 415 C GLN A 29 8.205 -28.676 -0.875 1.00 33.51 C ATOM 416 O GLN A 29 9.167 -27.969 -1.142 1.00 74.21 O ATOM 417 CB GLN A 29 7.252 -27.309 1.001 1.00 71.23 C ATOM 418 CG GLN A 29 6.730 -27.255 2.429 1.00 15.21 C ATOM 419 CD GLN A 29 6.412 -25.842 2.889 1.00 15.23 C ATOM 420 OE1 GLN A 29 7.006 -24.875 2.421 1.00 50.34 O ATOM 421 NE2 GLN A 29 5.480 -25.720 3.821 1.00 41.25 N ATOM 0 H GLN A 29 9.192 -28.631 1.981 1.00 64.21 H new ATOM 0 HA GLN A 29 6.758 -29.346 0.560 1.00 51.25 H new ATOM 0 HB2 GLN A 29 8.116 -26.651 0.914 1.00 71.23 H new ATOM 0 HB3 GLN A 29 6.487 -26.921 0.329 1.00 71.23 H new ATOM 0 HG2 GLN A 29 5.832 -27.867 2.506 1.00 15.21 H new ATOM 0 HG3 GLN A 29 7.471 -27.691 3.098 1.00 15.21 H new ATOM 0 HE21 GLN A 29 5.010 -26.549 4.184 1.00 41.25 H new ATOM 0 HE22 GLN A 29 5.232 -24.797 4.176 1.00 41.25 H new ATOM 430 N HIS A 30 7.576 -29.414 -1.783 1.00 71.42 N ATOM 431 CA HIS A 30 8.042 -29.506 -3.168 1.00 42.33 C ATOM 432 C HIS A 30 7.173 -28.648 -4.088 1.00 72.03 C ATOM 433 O HIS A 30 5.943 -28.727 -4.039 1.00 21.01 O ATOM 434 CB HIS A 30 8.042 -30.971 -3.643 1.00 50.11 C ATOM 435 CG HIS A 30 6.760 -31.708 -3.373 1.00 63.33 C ATOM 436 ND1 HIS A 30 5.583 -31.454 -4.047 1.00 62.20 N ATOM 437 CD2 HIS A 30 6.473 -32.691 -2.486 1.00 60.32 C ATOM 438 CE1 HIS A 30 4.632 -32.248 -3.587 1.00 74.33 C ATOM 439 NE2 HIS A 30 5.147 -33.007 -2.640 1.00 40.22 N ATOM 0 H HIS A 30 6.738 -29.961 -1.587 1.00 71.42 H new ATOM 0 HA HIS A 30 9.064 -29.129 -3.209 1.00 42.33 H new ATOM 0 HB2 HIS A 30 8.242 -30.994 -4.714 1.00 50.11 H new ATOM 0 HB3 HIS A 30 8.861 -31.499 -3.155 1.00 50.11 H new ATOM 0 HD2 HIS A 30 7.161 -33.143 -1.787 1.00 60.32 H new ATOM 0 HE1 HIS A 30 3.608 -32.271 -3.929 1.00 74.33 H new ATOM 0 HE2 HIS A 30 4.641 -33.715 -2.108 1.00 40.22 H new ATOM 448 N SER A 31 7.817 -27.852 -4.938 1.00 35.33 N ATOM 449 CA SER A 31 7.122 -26.931 -5.827 1.00 44.32 C ATOM 450 C SER A 31 7.958 -26.706 -7.087 1.00 41.34 C ATOM 451 O SER A 31 9.032 -27.298 -7.239 1.00 42.53 O ATOM 452 CB SER A 31 6.844 -25.602 -5.105 1.00 53.22 C ATOM 453 OG SER A 31 6.021 -24.748 -5.885 1.00 51.33 O ATOM 0 H SER A 31 8.833 -27.829 -5.028 1.00 35.33 H new ATOM 0 HA SER A 31 6.164 -27.362 -6.118 1.00 44.32 H new ATOM 0 HB2 SER A 31 6.361 -25.801 -4.148 1.00 53.22 H new ATOM 0 HB3 SER A 31 7.787 -25.101 -4.887 1.00 53.22 H new ATOM 0 HG SER A 31 5.862 -23.913 -5.398 1.00 51.33 H new ATOM 459 N LEU A 32 7.474 -25.851 -7.977 1.00 3.13 N ATOM 460 CA LEU A 32 8.092 -25.654 -9.282 1.00 2.12 C ATOM 461 C LEU A 32 8.215 -24.162 -9.593 1.00 23.13 C ATOM 462 O LEU A 32 7.213 -23.447 -9.624 1.00 0.03 O ATOM 463 CB LEU A 32 7.241 -26.360 -10.344 1.00 20.23 C ATOM 464 CG LEU A 32 7.801 -26.335 -11.773 1.00 74.50 C ATOM 465 CD1 LEU A 32 9.137 -27.066 -11.837 1.00 31.30 C ATOM 466 CD2 LEU A 32 6.793 -26.939 -12.753 1.00 54.31 C ATOM 0 H LEU A 32 6.646 -25.277 -7.817 1.00 3.13 H new ATOM 0 HA LEU A 32 9.096 -26.079 -9.281 1.00 2.12 H new ATOM 0 HB2 LEU A 32 7.108 -27.399 -10.044 1.00 20.23 H new ATOM 0 HB3 LEU A 32 6.252 -25.902 -10.353 1.00 20.23 H new ATOM 0 HG LEU A 32 7.972 -25.298 -12.062 1.00 74.50 H new ATOM 0 HD11 LEU A 32 9.519 -27.038 -12.858 1.00 31.30 H new ATOM 0 HD12 LEU A 32 9.849 -26.581 -11.170 1.00 31.30 H new ATOM 0 HD13 LEU A 32 9.000 -28.103 -11.529 1.00 31.30 H new ATOM 0 HD21 LEU A 32 7.206 -26.913 -13.761 1.00 54.31 H new ATOM 0 HD22 LEU A 32 6.586 -27.972 -12.472 1.00 54.31 H new ATOM 0 HD23 LEU A 32 5.868 -26.363 -12.725 1.00 54.31 H new ATOM 478 N TRP A 33 9.446 -23.703 -9.814 1.00 3.12 N ATOM 479 CA TRP A 33 9.714 -22.287 -10.060 1.00 32.24 C ATOM 480 C TRP A 33 10.229 -22.082 -11.492 1.00 54.31 C ATOM 481 O TRP A 33 11.081 -22.843 -11.960 1.00 25.10 O ATOM 482 CB TRP A 33 10.744 -21.779 -9.041 1.00 63.34 C ATOM 483 CG TRP A 33 10.651 -20.309 -8.759 1.00 1.25 C ATOM 484 CD1 TRP A 33 11.493 -19.326 -9.197 1.00 61.25 C ATOM 485 CD2 TRP A 33 9.650 -19.657 -7.967 1.00 60.41 C ATOM 486 NE1 TRP A 33 11.075 -18.109 -8.720 1.00 2.11 N ATOM 487 CE2 TRP A 33 9.948 -18.284 -7.966 1.00 44.30 C ATOM 488 CE3 TRP A 33 8.531 -20.103 -7.257 1.00 13.51 C ATOM 489 CZ2 TRP A 33 9.170 -17.353 -7.284 1.00 54.44 C ATOM 490 CZ3 TRP A 33 7.758 -19.178 -6.581 1.00 3.41 C ATOM 491 CH2 TRP A 33 8.082 -17.817 -6.599 1.00 1.12 C ATOM 0 H TRP A 33 10.277 -24.294 -9.828 1.00 3.12 H new ATOM 0 HA TRP A 33 8.790 -21.721 -9.947 1.00 32.24 H new ATOM 0 HB2 TRP A 33 10.616 -22.326 -8.107 1.00 63.34 H new ATOM 0 HB3 TRP A 33 11.745 -22.005 -9.408 1.00 63.34 H new ATOM 0 HD1 TRP A 33 12.358 -19.483 -9.825 1.00 61.25 H new ATOM 0 HE1 TRP A 33 11.533 -17.215 -8.900 1.00 2.11 H new ATOM 0 HE3 TRP A 33 8.275 -21.152 -7.237 1.00 13.51 H new ATOM 0 HZ2 TRP A 33 9.417 -16.302 -7.296 1.00 54.44 H new ATOM 0 HZ3 TRP A 33 6.891 -19.511 -6.030 1.00 3.41 H new ATOM 0 HH2 TRP A 33 7.459 -17.118 -6.060 1.00 1.12 H new ATOM 502 N PRO A 34 9.712 -21.064 -12.210 1.00 25.13 N ATOM 503 CA PRO A 34 10.112 -20.789 -13.597 1.00 42.25 C ATOM 504 C PRO A 34 11.441 -20.028 -13.701 1.00 14.23 C ATOM 505 O PRO A 34 11.822 -19.290 -12.790 1.00 50.31 O ATOM 506 CB PRO A 34 8.955 -19.927 -14.114 1.00 31.40 C ATOM 507 CG PRO A 34 8.497 -19.174 -12.912 1.00 22.21 C ATOM 508 CD PRO A 34 8.689 -20.102 -11.735 1.00 51.42 C ATOM 0 HA PRO A 34 10.282 -21.705 -14.163 1.00 42.25 H new ATOM 0 HB2 PRO A 34 9.283 -19.253 -14.906 1.00 31.40 H new ATOM 0 HB3 PRO A 34 8.155 -20.541 -14.529 1.00 31.40 H new ATOM 0 HG2 PRO A 34 9.073 -18.258 -12.784 1.00 22.21 H new ATOM 0 HG3 PRO A 34 7.452 -18.882 -13.011 1.00 22.21 H new ATOM 0 HD2 PRO A 34 9.027 -19.562 -10.850 1.00 51.42 H new ATOM 0 HD3 PRO A 34 7.760 -20.605 -11.466 1.00 51.42 H new ATOM 516 N THR A 35 12.119 -20.195 -14.835 1.00 20.31 N ATOM 517 CA THR A 35 13.400 -19.534 -15.106 1.00 14.53 C ATOM 518 C THR A 35 13.265 -18.010 -15.078 1.00 24.53 C ATOM 519 O THR A 35 14.218 -17.294 -14.773 1.00 70.21 O ATOM 520 CB THR A 35 13.940 -19.972 -16.489 1.00 2.34 C ATOM 521 OG1 THR A 35 12.859 -20.012 -17.433 1.00 13.41 O ATOM 522 CG2 THR A 35 14.609 -21.338 -16.417 1.00 20.12 C ATOM 0 H THR A 35 11.797 -20.794 -15.596 1.00 20.31 H new ATOM 0 HA THR A 35 14.096 -19.832 -14.322 1.00 14.53 H new ATOM 0 HB THR A 35 14.688 -19.247 -16.809 1.00 2.34 H new ATOM 0 HG1 THR A 35 12.508 -20.925 -17.490 1.00 13.41 H new ATOM 0 HG21 THR A 35 14.977 -21.615 -17.405 1.00 20.12 H new ATOM 0 HG22 THR A 35 15.444 -21.298 -15.717 1.00 20.12 H new ATOM 0 HG23 THR A 35 13.886 -22.080 -16.078 1.00 20.12 H new ATOM 530 N PHE A 36 12.070 -17.532 -15.392 1.00 54.32 N ATOM 531 CA PHE A 36 11.799 -16.104 -15.516 1.00 23.33 C ATOM 532 C PHE A 36 11.607 -15.441 -14.148 1.00 20.31 C ATOM 533 O PHE A 36 11.331 -14.242 -14.068 1.00 11.01 O ATOM 534 CB PHE A 36 10.548 -15.906 -16.384 1.00 71.31 C ATOM 535 CG PHE A 36 10.585 -16.706 -17.664 1.00 0.31 C ATOM 536 CD1 PHE A 36 11.405 -16.320 -18.709 1.00 21.12 C ATOM 537 CD2 PHE A 36 9.814 -17.851 -17.812 1.00 72.31 C ATOM 538 CE1 PHE A 36 11.456 -17.055 -19.879 1.00 35.02 C ATOM 539 CE2 PHE A 36 9.861 -18.591 -18.976 1.00 4.13 C ATOM 540 CZ PHE A 36 10.683 -18.191 -20.013 1.00 61.34 C ATOM 0 H PHE A 36 11.258 -18.123 -15.569 1.00 54.32 H new ATOM 0 HA PHE A 36 12.659 -15.628 -15.987 1.00 23.33 H new ATOM 0 HB2 PHE A 36 9.666 -16.190 -15.810 1.00 71.31 H new ATOM 0 HB3 PHE A 36 10.444 -14.848 -16.626 1.00 71.31 H new ATOM 0 HD1 PHE A 36 12.013 -15.433 -18.610 1.00 21.12 H new ATOM 0 HD2 PHE A 36 9.169 -18.167 -17.006 1.00 72.31 H new ATOM 0 HE1 PHE A 36 12.100 -16.741 -20.687 1.00 35.02 H new ATOM 0 HE2 PHE A 36 9.257 -19.481 -19.077 1.00 4.13 H new ATOM 0 HZ PHE A 36 10.720 -18.766 -20.926 1.00 61.34 H new ATOM 550 N ALA A 37 11.761 -16.215 -13.075 1.00 31.31 N ATOM 551 CA ALA A 37 11.569 -15.704 -11.719 1.00 2.32 C ATOM 552 C ALA A 37 12.776 -16.029 -10.841 1.00 65.11 C ATOM 553 O ALA A 37 13.524 -16.968 -11.120 1.00 71.31 O ATOM 554 CB ALA A 37 10.294 -16.283 -11.115 1.00 32.12 C ATOM 0 H ALA A 37 12.019 -17.201 -13.119 1.00 31.31 H new ATOM 0 HA ALA A 37 11.471 -14.620 -11.769 1.00 2.32 H new ATOM 0 HB1 ALA A 37 10.161 -15.895 -10.105 1.00 32.12 H new ATOM 0 HB2 ALA A 37 9.439 -15.998 -11.728 1.00 32.12 H new ATOM 0 HB3 ALA A 37 10.369 -17.370 -11.080 1.00 32.12 H new ATOM 560 N ASP A 38 12.956 -15.252 -9.777 1.00 62.40 N ATOM 561 CA ASP A 38 14.091 -15.427 -8.872 1.00 71.51 C ATOM 562 C ASP A 38 13.784 -16.485 -7.824 1.00 32.04 C ATOM 563 O ASP A 38 12.672 -16.533 -7.297 1.00 55.21 O ATOM 564 CB ASP A 38 14.436 -14.104 -8.175 1.00 73.44 C ATOM 565 CG ASP A 38 14.895 -13.027 -9.144 1.00 11.53 C ATOM 566 OD1 ASP A 38 16.071 -13.061 -9.562 1.00 12.15 O ATOM 567 OD2 ASP A 38 14.080 -12.147 -9.495 1.00 71.03 O ATOM 0 H ASP A 38 12.328 -14.491 -9.518 1.00 62.40 H new ATOM 0 HA ASP A 38 14.945 -15.751 -9.467 1.00 71.51 H new ATOM 0 HB2 ASP A 38 13.562 -13.747 -7.631 1.00 73.44 H new ATOM 0 HB3 ASP A 38 15.220 -14.281 -7.438 1.00 73.44 H new ATOM 572 N VAL A 39 14.771 -17.324 -7.528 1.00 54.22 N ATOM 573 CA VAL A 39 14.631 -18.360 -6.507 1.00 43.22 C ATOM 574 C VAL A 39 14.363 -17.721 -5.139 1.00 15.13 C ATOM 575 O VAL A 39 15.196 -16.961 -4.640 1.00 15.20 O ATOM 576 CB VAL A 39 15.901 -19.250 -6.430 1.00 24.11 C ATOM 577 CG1 VAL A 39 15.746 -20.344 -5.374 1.00 4.21 C ATOM 578 CG2 VAL A 39 16.221 -19.855 -7.798 1.00 12.12 C ATOM 0 H VAL A 39 15.683 -17.307 -7.984 1.00 54.22 H new ATOM 0 HA VAL A 39 13.787 -18.991 -6.785 1.00 43.22 H new ATOM 0 HB VAL A 39 16.737 -18.617 -6.132 1.00 24.11 H new ATOM 0 HG11 VAL A 39 16.651 -20.951 -5.343 1.00 4.21 H new ATOM 0 HG12 VAL A 39 15.582 -19.887 -4.398 1.00 4.21 H new ATOM 0 HG13 VAL A 39 14.894 -20.975 -5.627 1.00 4.21 H new ATOM 0 HG21 VAL A 39 17.114 -20.475 -7.722 1.00 12.12 H new ATOM 0 HG22 VAL A 39 15.382 -20.467 -8.131 1.00 12.12 H new ATOM 0 HG23 VAL A 39 16.395 -19.055 -8.518 1.00 12.12 H new ATOM 588 N PRO A 40 13.193 -18.001 -4.532 1.00 15.15 N ATOM 589 CA PRO A 40 12.813 -17.410 -3.245 1.00 14.42 C ATOM 590 C PRO A 40 13.634 -17.975 -2.086 1.00 75.04 C ATOM 591 O PRO A 40 13.736 -19.197 -1.919 1.00 54.23 O ATOM 592 CB PRO A 40 11.327 -17.784 -3.107 1.00 2.52 C ATOM 593 CG PRO A 40 11.178 -19.036 -3.904 1.00 3.34 C ATOM 594 CD PRO A 40 12.153 -18.919 -5.049 1.00 13.40 C ATOM 0 HA PRO A 40 12.992 -16.335 -3.213 1.00 14.42 H new ATOM 0 HB2 PRO A 40 11.054 -17.943 -2.064 1.00 2.52 H new ATOM 0 HB3 PRO A 40 10.682 -16.992 -3.488 1.00 2.52 H new ATOM 0 HG2 PRO A 40 11.395 -19.914 -3.295 1.00 3.34 H new ATOM 0 HG3 PRO A 40 10.157 -19.146 -4.270 1.00 3.34 H new ATOM 0 HD2 PRO A 40 12.573 -19.888 -5.318 1.00 13.40 H new ATOM 0 HD3 PRO A 40 11.675 -18.519 -5.943 1.00 13.40 H new ATOM 602 N ALA A 41 14.225 -17.080 -1.296 1.00 33.41 N ATOM 603 CA ALA A 41 15.009 -17.479 -0.133 1.00 52.11 C ATOM 604 C ALA A 41 14.171 -18.357 0.792 1.00 43.14 C ATOM 605 O ALA A 41 13.058 -17.987 1.175 1.00 23.12 O ATOM 606 CB ALA A 41 15.523 -16.249 0.610 1.00 52.40 C ATOM 0 H ALA A 41 14.174 -16.072 -1.442 1.00 33.41 H new ATOM 0 HA ALA A 41 15.869 -18.057 -0.472 1.00 52.11 H new ATOM 0 HB1 ALA A 41 16.106 -16.564 1.475 1.00 52.40 H new ATOM 0 HB2 ALA A 41 16.152 -15.658 -0.056 1.00 52.40 H new ATOM 0 HB3 ALA A 41 14.678 -15.645 0.942 1.00 52.40 H new ATOM 612 N GLY A 42 14.714 -19.514 1.153 1.00 10.21 N ATOM 613 CA GLY A 42 13.973 -20.483 1.942 1.00 25.41 C ATOM 614 C GLY A 42 13.615 -21.712 1.127 1.00 61.12 C ATOM 615 O GLY A 42 13.317 -22.769 1.687 1.00 34.40 O ATOM 0 H GLY A 42 15.663 -19.801 0.911 1.00 10.21 H new ATOM 0 HA2 GLY A 42 14.567 -20.780 2.806 1.00 25.41 H new ATOM 0 HA3 GLY A 42 13.062 -20.022 2.324 1.00 25.41 H new ATOM 619 N TRP A 43 13.649 -21.575 -0.197 1.00 42.44 N ATOM 620 CA TRP A 43 13.418 -22.699 -1.105 1.00 35.33 C ATOM 621 C TRP A 43 14.697 -22.994 -1.888 1.00 5.14 C ATOM 622 O TRP A 43 15.255 -22.095 -2.524 1.00 44.43 O ATOM 623 CB TRP A 43 12.276 -22.379 -2.081 1.00 0.31 C ATOM 624 CG TRP A 43 10.947 -22.161 -1.416 1.00 11.10 C ATOM 625 CD1 TRP A 43 10.560 -21.073 -0.684 1.00 10.04 C ATOM 626 CD2 TRP A 43 9.823 -23.052 -1.433 1.00 4.32 C ATOM 627 NE1 TRP A 43 9.269 -21.235 -0.243 1.00 32.12 N ATOM 628 CE2 TRP A 43 8.793 -22.440 -0.691 1.00 30.42 C ATOM 629 CE3 TRP A 43 9.587 -24.308 -2.004 1.00 65.54 C ATOM 630 CZ2 TRP A 43 7.550 -23.042 -0.506 1.00 31.21 C ATOM 631 CZ3 TRP A 43 8.351 -24.903 -1.819 1.00 1.13 C ATOM 632 CH2 TRP A 43 7.347 -24.269 -1.077 1.00 1.41 C ATOM 0 H TRP A 43 13.836 -20.690 -0.669 1.00 42.44 H new ATOM 0 HA TRP A 43 13.138 -23.573 -0.517 1.00 35.33 H new ATOM 0 HB2 TRP A 43 12.537 -21.486 -2.649 1.00 0.31 H new ATOM 0 HB3 TRP A 43 12.183 -23.196 -2.796 1.00 0.31 H new ATOM 0 HD1 TRP A 43 11.179 -20.211 -0.482 1.00 10.04 H new ATOM 0 HE1 TRP A 43 8.749 -20.567 0.326 1.00 32.12 H new ATOM 0 HE3 TRP A 43 10.355 -24.804 -2.579 1.00 65.54 H new ATOM 0 HZ2 TRP A 43 6.774 -22.557 0.068 1.00 31.21 H new ATOM 0 HZ3 TRP A 43 8.158 -25.872 -2.254 1.00 1.13 H new ATOM 0 HH2 TRP A 43 6.392 -24.759 -0.953 1.00 1.41 H new ATOM 643 N ARG A 44 15.172 -24.237 -1.838 1.00 11.32 N ATOM 644 CA ARG A 44 16.382 -24.615 -2.570 1.00 5.43 C ATOM 645 C ARG A 44 16.013 -25.407 -3.822 1.00 3.31 C ATOM 646 O ARG A 44 15.029 -26.147 -3.826 1.00 13.14 O ATOM 647 CB ARG A 44 17.339 -25.441 -1.690 1.00 25.21 C ATOM 648 CG ARG A 44 16.953 -26.911 -1.534 1.00 12.21 C ATOM 649 CD ARG A 44 18.076 -27.726 -0.899 1.00 42.25 C ATOM 650 NE ARG A 44 17.809 -29.169 -0.954 1.00 33.10 N ATOM 651 CZ ARG A 44 18.258 -29.980 -1.921 1.00 75.23 C ATOM 652 NH1 ARG A 44 18.992 -29.498 -2.913 1.00 51.22 N ATOM 653 NH2 ARG A 44 17.977 -31.275 -1.892 1.00 70.20 N ATOM 0 H ARG A 44 14.744 -24.994 -1.305 1.00 11.32 H new ATOM 0 HA ARG A 44 16.896 -23.698 -2.859 1.00 5.43 H new ATOM 0 HB2 ARG A 44 18.341 -25.386 -2.115 1.00 25.21 H new ATOM 0 HB3 ARG A 44 17.387 -24.985 -0.701 1.00 25.21 H new ATOM 0 HG2 ARG A 44 16.056 -26.988 -0.920 1.00 12.21 H new ATOM 0 HG3 ARG A 44 16.708 -27.328 -2.511 1.00 12.21 H new ATOM 0 HD2 ARG A 44 19.014 -27.511 -1.411 1.00 42.25 H new ATOM 0 HD3 ARG A 44 18.203 -27.420 0.140 1.00 42.25 H new ATOM 0 HE ARG A 44 17.246 -29.580 -0.209 1.00 33.10 H new ATOM 0 HH11 ARG A 44 19.218 -28.504 -2.944 1.00 51.22 H new ATOM 0 HH12 ARG A 44 19.331 -30.121 -3.646 1.00 51.22 H new ATOM 0 HH21 ARG A 44 17.416 -31.658 -1.131 1.00 70.20 H new ATOM 0 HH22 ARG A 44 18.321 -31.888 -2.631 1.00 70.20 H new ATOM 667 N VAL A 45 16.805 -25.256 -4.876 1.00 33.52 N ATOM 668 CA VAL A 45 16.547 -25.942 -6.140 1.00 3.11 C ATOM 669 C VAL A 45 17.064 -27.381 -6.083 1.00 0.20 C ATOM 670 O VAL A 45 18.270 -27.612 -5.975 1.00 14.01 O ATOM 671 CB VAL A 45 17.208 -25.205 -7.330 1.00 42.52 C ATOM 672 CG1 VAL A 45 16.906 -25.921 -8.646 1.00 31.31 C ATOM 673 CG2 VAL A 45 16.757 -23.746 -7.381 1.00 40.23 C ATOM 0 H VAL A 45 17.635 -24.663 -4.882 1.00 33.52 H new ATOM 0 HA VAL A 45 15.468 -25.948 -6.293 1.00 3.11 H new ATOM 0 HB VAL A 45 18.288 -25.217 -7.182 1.00 42.52 H new ATOM 0 HG11 VAL A 45 17.380 -25.386 -9.469 1.00 31.31 H new ATOM 0 HG12 VAL A 45 17.294 -26.939 -8.604 1.00 31.31 H new ATOM 0 HG13 VAL A 45 15.828 -25.950 -8.806 1.00 31.31 H new ATOM 0 HG21 VAL A 45 17.234 -23.247 -8.225 1.00 40.23 H new ATOM 0 HG22 VAL A 45 15.674 -23.704 -7.499 1.00 40.23 H new ATOM 0 HG23 VAL A 45 17.041 -23.245 -6.456 1.00 40.23 H new ATOM 683 N VAL A 46 16.143 -28.337 -6.144 1.00 33.24 N ATOM 684 CA VAL A 46 16.484 -29.761 -6.081 1.00 13.35 C ATOM 685 C VAL A 46 16.683 -30.328 -7.483 1.00 21.32 C ATOM 686 O VAL A 46 17.425 -31.294 -7.680 1.00 22.43 O ATOM 687 CB VAL A 46 15.378 -30.572 -5.357 1.00 43.02 C ATOM 688 CG1 VAL A 46 14.915 -29.831 -4.119 1.00 54.42 C ATOM 689 CG2 VAL A 46 14.194 -30.868 -6.276 1.00 11.10 C ATOM 0 H VAL A 46 15.144 -28.153 -6.238 1.00 33.24 H new ATOM 0 HA VAL A 46 17.413 -29.849 -5.517 1.00 13.35 H new ATOM 0 HB VAL A 46 15.808 -31.529 -5.063 1.00 43.02 H new ATOM 0 HG11 VAL A 46 14.138 -30.409 -3.618 1.00 54.42 H new ATOM 0 HG12 VAL A 46 15.758 -29.692 -3.442 1.00 54.42 H new ATOM 0 HG13 VAL A 46 14.515 -28.858 -4.405 1.00 54.42 H new ATOM 0 HG21 VAL A 46 13.443 -31.438 -5.729 1.00 11.10 H new ATOM 0 HG22 VAL A 46 13.758 -29.930 -6.622 1.00 11.10 H new ATOM 0 HG23 VAL A 46 14.535 -31.447 -7.134 1.00 11.10 H new ATOM 699 N PHE A 47 15.986 -29.735 -8.446 1.00 63.21 N ATOM 700 CA PHE A 47 16.100 -30.136 -9.843 1.00 72.55 C ATOM 701 C PHE A 47 16.295 -28.890 -10.698 1.00 11.21 C ATOM 702 O PHE A 47 15.465 -27.983 -10.656 1.00 10.30 O ATOM 703 CB PHE A 47 14.839 -30.904 -10.284 1.00 21.25 C ATOM 704 CG PHE A 47 15.051 -31.840 -11.454 1.00 31.24 C ATOM 705 CD1 PHE A 47 15.587 -31.384 -12.652 1.00 33.42 C ATOM 706 CD2 PHE A 47 14.716 -33.184 -11.349 1.00 35.11 C ATOM 707 CE1 PHE A 47 15.781 -32.245 -13.715 1.00 40.53 C ATOM 708 CE2 PHE A 47 14.909 -34.048 -12.411 1.00 61.52 C ATOM 709 CZ PHE A 47 15.442 -33.578 -13.595 1.00 51.14 C ATOM 0 H PHE A 47 15.332 -28.970 -8.283 1.00 63.21 H new ATOM 0 HA PHE A 47 16.957 -30.799 -9.967 1.00 72.55 H new ATOM 0 HB2 PHE A 47 14.465 -31.480 -9.437 1.00 21.25 H new ATOM 0 HB3 PHE A 47 14.064 -30.184 -10.547 1.00 21.25 H new ATOM 0 HD1 PHE A 47 15.856 -30.343 -12.754 1.00 33.42 H new ATOM 0 HD2 PHE A 47 14.299 -33.559 -10.426 1.00 35.11 H new ATOM 0 HE1 PHE A 47 16.198 -31.875 -14.640 1.00 40.53 H new ATOM 0 HE2 PHE A 47 14.643 -35.090 -12.315 1.00 61.52 H new ATOM 0 HZ PHE A 47 15.593 -34.252 -14.425 1.00 51.14 H new ATOM 719 N GLY A 48 17.390 -28.851 -11.453 1.00 65.51 N ATOM 720 CA GLY A 48 17.719 -27.685 -12.260 1.00 3.32 C ATOM 721 C GLY A 48 16.713 -27.423 -13.366 1.00 73.14 C ATOM 722 O GLY A 48 15.718 -28.140 -13.496 1.00 32.53 O ATOM 0 H GLY A 48 18.063 -29.615 -11.521 1.00 65.51 H new ATOM 0 HA2 GLY A 48 17.777 -26.809 -11.615 1.00 3.32 H new ATOM 0 HA3 GLY A 48 18.707 -27.822 -12.700 1.00 3.32 H new ATOM 726 N GLU A 49 16.981 -26.391 -14.167 1.00 43.12 N ATOM 727 CA GLU A 49 16.092 -26.006 -15.260 1.00 43.14 C ATOM 728 C GLU A 49 15.868 -27.202 -16.186 1.00 60.45 C ATOM 729 O GLU A 49 16.789 -27.642 -16.878 1.00 2.22 O ATOM 730 CB GLU A 49 16.670 -24.828 -16.079 1.00 51.44 C ATOM 731 CG GLU A 49 17.277 -23.691 -15.256 1.00 44.04 C ATOM 732 CD GLU A 49 18.701 -23.976 -14.800 1.00 14.21 C ATOM 733 OE1 GLU A 49 19.631 -23.861 -15.630 1.00 54.24 O ATOM 734 OE2 GLU A 49 18.903 -24.323 -13.616 1.00 63.23 O ATOM 0 H GLU A 49 17.811 -25.805 -14.077 1.00 43.12 H new ATOM 0 HA GLU A 49 15.147 -25.685 -14.823 1.00 43.14 H new ATOM 0 HB2 GLU A 49 17.436 -25.216 -16.751 1.00 51.44 H new ATOM 0 HB3 GLU A 49 15.876 -24.418 -16.703 1.00 51.44 H new ATOM 0 HG2 GLU A 49 17.268 -22.777 -15.849 1.00 44.04 H new ATOM 0 HG3 GLU A 49 16.652 -23.510 -14.382 1.00 44.04 H new ATOM 741 N ALA A 50 14.649 -27.726 -16.190 1.00 15.04 N ATOM 742 CA ALA A 50 14.324 -28.916 -16.965 1.00 15.21 C ATOM 743 C ALA A 50 12.983 -28.759 -17.671 1.00 3.12 C ATOM 744 O ALA A 50 12.214 -27.838 -17.377 1.00 24.11 O ATOM 745 CB ALA A 50 14.307 -30.144 -16.062 1.00 15.15 C ATOM 0 H ALA A 50 13.865 -27.343 -15.662 1.00 15.04 H new ATOM 0 HA ALA A 50 15.093 -29.048 -17.726 1.00 15.21 H new ATOM 0 HB1 ALA A 50 14.063 -31.027 -16.653 1.00 15.15 H new ATOM 0 HB2 ALA A 50 15.288 -30.273 -15.605 1.00 15.15 H new ATOM 0 HB3 ALA A 50 13.558 -30.011 -15.281 1.00 15.15 H new ATOM 751 N SER A 51 12.724 -29.653 -18.615 1.00 24.24 N ATOM 752 CA SER A 51 11.468 -29.676 -19.347 1.00 52.43 C ATOM 753 C SER A 51 10.288 -29.947 -18.405 1.00 62.51 C ATOM 754 O SER A 51 10.436 -30.614 -17.374 1.00 55.12 O ATOM 755 CB SER A 51 11.538 -30.738 -20.447 1.00 22.31 C ATOM 756 OG SER A 51 10.345 -30.778 -21.215 1.00 22.35 O ATOM 0 H SER A 51 13.380 -30.383 -18.894 1.00 24.24 H new ATOM 0 HA SER A 51 11.308 -28.699 -19.803 1.00 52.43 H new ATOM 0 HB2 SER A 51 12.385 -30.529 -21.101 1.00 22.31 H new ATOM 0 HB3 SER A 51 11.715 -31.716 -19.998 1.00 22.31 H new ATOM 0 HG SER A 51 10.425 -31.466 -21.909 1.00 22.35 H new ATOM 762 N ARG A 52 9.121 -29.442 -18.797 1.00 22.34 N ATOM 763 CA ARG A 52 7.901 -29.496 -17.989 1.00 33.32 C ATOM 764 C ARG A 52 7.620 -30.899 -17.446 1.00 54.14 C ATOM 765 O ARG A 52 7.431 -31.070 -16.241 1.00 52.31 O ATOM 766 CB ARG A 52 6.719 -29.032 -18.852 1.00 3.52 C ATOM 767 CG ARG A 52 5.348 -29.099 -18.176 1.00 42.23 C ATOM 768 CD ARG A 52 5.180 -28.034 -17.098 1.00 23.53 C ATOM 769 NE ARG A 52 3.772 -27.824 -16.751 1.00 22.00 N ATOM 770 CZ ARG A 52 3.333 -26.863 -15.932 1.00 21.21 C ATOM 771 NH1 ARG A 52 4.192 -26.060 -15.316 1.00 61.40 N ATOM 772 NH2 ARG A 52 2.033 -26.709 -15.718 1.00 1.50 N ATOM 0 H ARG A 52 8.992 -28.977 -19.696 1.00 22.34 H new ATOM 0 HA ARG A 52 8.037 -28.841 -17.128 1.00 33.32 H new ATOM 0 HB2 ARG A 52 6.901 -28.004 -19.165 1.00 3.52 H new ATOM 0 HB3 ARG A 52 6.690 -29.640 -19.756 1.00 3.52 H new ATOM 0 HG2 ARG A 52 4.569 -28.977 -18.928 1.00 42.23 H new ATOM 0 HG3 ARG A 52 5.212 -30.086 -17.733 1.00 42.23 H new ATOM 0 HD2 ARG A 52 5.733 -28.330 -16.207 1.00 23.53 H new ATOM 0 HD3 ARG A 52 5.612 -27.095 -17.445 1.00 23.53 H new ATOM 0 HE ARG A 52 3.081 -28.452 -17.161 1.00 22.00 H new ATOM 0 HH11 ARG A 52 5.194 -26.174 -15.466 1.00 61.40 H new ATOM 0 HH12 ARG A 52 3.850 -25.329 -14.693 1.00 61.40 H new ATOM 0 HH21 ARG A 52 1.364 -27.325 -16.179 1.00 1.50 H new ATOM 0 HH22 ARG A 52 1.703 -25.974 -15.092 1.00 1.50 H new ATOM 786 N ALA A 53 7.597 -31.894 -18.330 1.00 30.50 N ATOM 787 CA ALA A 53 7.239 -33.256 -17.941 1.00 22.15 C ATOM 788 C ALA A 53 8.223 -33.812 -16.921 1.00 62.54 C ATOM 789 O ALA A 53 7.822 -34.453 -15.954 1.00 54.12 O ATOM 790 CB ALA A 53 7.157 -34.164 -19.164 1.00 32.44 C ATOM 0 H ALA A 53 7.822 -31.783 -19.319 1.00 30.50 H new ATOM 0 HA ALA A 53 6.255 -33.223 -17.473 1.00 22.15 H new ATOM 0 HB1 ALA A 53 6.889 -35.173 -18.851 1.00 32.44 H new ATOM 0 HB2 ALA A 53 6.400 -33.784 -19.849 1.00 32.44 H new ATOM 0 HB3 ALA A 53 8.124 -34.185 -19.667 1.00 32.44 H new ATOM 796 N SER A 54 9.510 -33.544 -17.127 1.00 73.43 N ATOM 797 CA SER A 54 10.549 -34.000 -16.207 1.00 14.52 C ATOM 798 C SER A 54 10.335 -33.397 -14.817 1.00 44.42 C ATOM 799 O SER A 54 10.366 -34.106 -13.800 1.00 24.13 O ATOM 800 CB SER A 54 11.930 -33.615 -16.746 1.00 35.32 C ATOM 801 OG SER A 54 12.132 -34.132 -18.055 1.00 32.13 O ATOM 0 H SER A 54 9.859 -33.012 -17.924 1.00 73.43 H new ATOM 0 HA SER A 54 10.492 -35.085 -16.124 1.00 14.52 H new ATOM 0 HB2 SER A 54 12.028 -32.530 -16.761 1.00 35.32 H new ATOM 0 HB3 SER A 54 12.703 -33.995 -16.078 1.00 35.32 H new ATOM 0 HG SER A 54 13.020 -33.871 -18.377 1.00 32.13 H new ATOM 807 N CYS A 55 10.099 -32.089 -14.791 1.00 64.42 N ATOM 808 CA CYS A 55 9.856 -31.364 -13.551 1.00 0.12 C ATOM 809 C CYS A 55 8.632 -31.926 -12.825 1.00 61.34 C ATOM 810 O CYS A 55 8.702 -32.271 -11.642 1.00 2.11 O ATOM 811 CB CYS A 55 9.657 -29.878 -13.861 1.00 24.25 C ATOM 812 SG CYS A 55 11.008 -29.139 -14.804 1.00 34.22 S ATOM 0 H CYS A 55 10.071 -31.504 -15.626 1.00 64.42 H new ATOM 0 HA CYS A 55 10.719 -31.483 -12.896 1.00 0.12 H new ATOM 0 HB2 CYS A 55 8.728 -29.754 -14.418 1.00 24.25 H new ATOM 0 HB3 CYS A 55 9.541 -29.334 -12.924 1.00 24.25 H new ATOM 0 HG CYS A 55 11.539 -28.172 -14.116 1.00 34.22 H new ATOM 818 N VAL A 56 7.520 -32.033 -13.551 1.00 30.54 N ATOM 819 CA VAL A 56 6.271 -32.542 -12.990 1.00 40.14 C ATOM 820 C VAL A 56 6.444 -33.984 -12.520 1.00 14.44 C ATOM 821 O VAL A 56 5.923 -34.376 -11.476 1.00 25.45 O ATOM 822 CB VAL A 56 5.115 -32.464 -14.023 1.00 40.34 C ATOM 823 CG1 VAL A 56 3.832 -33.082 -13.466 1.00 63.11 C ATOM 824 CG2 VAL A 56 4.876 -31.016 -14.449 1.00 22.04 C ATOM 0 H VAL A 56 7.460 -31.772 -14.535 1.00 30.54 H new ATOM 0 HA VAL A 56 6.014 -31.914 -12.137 1.00 40.14 H new ATOM 0 HB VAL A 56 5.408 -33.040 -14.901 1.00 40.34 H new ATOM 0 HG11 VAL A 56 3.041 -33.012 -14.212 1.00 63.11 H new ATOM 0 HG12 VAL A 56 4.009 -34.129 -13.222 1.00 63.11 H new ATOM 0 HG13 VAL A 56 3.530 -32.545 -12.566 1.00 63.11 H new ATOM 0 HG21 VAL A 56 4.062 -30.979 -15.173 1.00 22.04 H new ATOM 0 HG22 VAL A 56 4.612 -30.419 -13.576 1.00 22.04 H new ATOM 0 HG23 VAL A 56 5.783 -30.615 -14.902 1.00 22.04 H new ATOM 834 N GLU A 57 7.200 -34.758 -13.296 1.00 20.53 N ATOM 835 CA GLU A 57 7.460 -36.162 -12.989 1.00 63.13 C ATOM 836 C GLU A 57 8.197 -36.295 -11.660 1.00 50.11 C ATOM 837 O GLU A 57 7.853 -37.138 -10.829 1.00 23.30 O ATOM 838 CB GLU A 57 8.278 -36.802 -14.117 1.00 41.24 C ATOM 839 CG GLU A 57 8.536 -38.289 -13.930 1.00 22.23 C ATOM 840 CD GLU A 57 9.322 -38.889 -15.081 1.00 72.21 C ATOM 841 OE1 GLU A 57 8.716 -39.170 -16.138 1.00 2.33 O ATOM 842 OE2 GLU A 57 10.550 -39.084 -14.936 1.00 62.23 O ATOM 0 H GLU A 57 7.648 -34.431 -14.152 1.00 20.53 H new ATOM 0 HA GLU A 57 6.506 -36.682 -12.904 1.00 63.13 H new ATOM 0 HB2 GLU A 57 7.755 -36.651 -15.061 1.00 41.24 H new ATOM 0 HB3 GLU A 57 9.234 -36.285 -14.196 1.00 41.24 H new ATOM 0 HG2 GLU A 57 9.082 -38.446 -13.000 1.00 22.23 H new ATOM 0 HG3 GLU A 57 7.584 -38.811 -13.833 1.00 22.23 H new ATOM 849 N TYR A 58 9.203 -35.449 -11.461 1.00 31.40 N ATOM 850 CA TYR A 58 9.975 -35.460 -10.222 1.00 21.01 C ATOM 851 C TYR A 58 9.068 -35.124 -9.035 1.00 34.14 C ATOM 852 O TYR A 58 9.073 -35.820 -8.015 1.00 14.54 O ATOM 853 CB TYR A 58 11.147 -34.472 -10.300 1.00 21.12 C ATOM 854 CG TYR A 58 12.046 -34.518 -9.075 1.00 75.13 C ATOM 855 CD1 TYR A 58 13.098 -35.425 -8.990 1.00 72.45 C ATOM 856 CD2 TYR A 58 11.824 -33.671 -7.995 1.00 60.21 C ATOM 857 CE1 TYR A 58 13.903 -35.481 -7.868 1.00 61.43 C ATOM 858 CE2 TYR A 58 12.622 -33.726 -6.869 1.00 50.22 C ATOM 859 CZ TYR A 58 13.660 -34.632 -6.811 1.00 32.20 C ATOM 860 OH TYR A 58 14.452 -34.691 -5.689 1.00 3.54 O ATOM 0 H TYR A 58 9.503 -34.749 -12.139 1.00 31.40 H new ATOM 0 HA TYR A 58 10.386 -36.460 -10.079 1.00 21.01 H new ATOM 0 HB2 TYR A 58 11.741 -34.691 -11.188 1.00 21.12 H new ATOM 0 HB3 TYR A 58 10.756 -33.462 -10.419 1.00 21.12 H new ATOM 0 HD1 TYR A 58 13.289 -36.096 -9.814 1.00 72.45 H new ATOM 0 HD2 TYR A 58 11.014 -32.958 -8.037 1.00 60.21 H new ATOM 0 HE1 TYR A 58 14.719 -36.187 -7.820 1.00 61.43 H new ATOM 0 HE2 TYR A 58 12.434 -33.063 -6.038 1.00 50.22 H new ATOM 0 HH TYR A 58 14.147 -34.025 -5.038 1.00 3.54 H new ATOM 870 N VAL A 59 8.296 -34.049 -9.178 1.00 73.44 N ATOM 871 CA VAL A 59 7.307 -33.668 -8.171 1.00 43.10 C ATOM 872 C VAL A 59 6.308 -34.806 -7.938 1.00 65.21 C ATOM 873 O VAL A 59 5.876 -35.043 -6.813 1.00 73.20 O ATOM 874 CB VAL A 59 6.532 -32.389 -8.587 1.00 52.21 C ATOM 875 CG1 VAL A 59 5.511 -31.988 -7.521 1.00 2.35 C ATOM 876 CG2 VAL A 59 7.497 -31.239 -8.868 1.00 61.22 C ATOM 0 H VAL A 59 8.336 -33.425 -9.984 1.00 73.44 H new ATOM 0 HA VAL A 59 7.851 -33.462 -7.249 1.00 43.10 H new ATOM 0 HB VAL A 59 5.988 -32.614 -9.504 1.00 52.21 H new ATOM 0 HG11 VAL A 59 4.984 -31.089 -7.841 1.00 2.35 H new ATOM 0 HG12 VAL A 59 4.795 -32.797 -7.381 1.00 2.35 H new ATOM 0 HG13 VAL A 59 6.025 -31.791 -6.580 1.00 2.35 H new ATOM 0 HG21 VAL A 59 6.932 -30.353 -9.158 1.00 61.22 H new ATOM 0 HG22 VAL A 59 8.076 -31.023 -7.970 1.00 61.22 H new ATOM 0 HG23 VAL A 59 8.172 -31.520 -9.677 1.00 61.22 H new ATOM 886 N ASP A 60 5.967 -35.510 -9.014 1.00 75.12 N ATOM 887 CA ASP A 60 5.010 -36.621 -8.970 1.00 61.12 C ATOM 888 C ASP A 60 5.544 -37.769 -8.111 1.00 13.10 C ATOM 889 O ASP A 60 4.822 -38.341 -7.295 1.00 12.42 O ATOM 890 CB ASP A 60 4.725 -37.110 -10.400 1.00 0.13 C ATOM 891 CG ASP A 60 3.827 -38.338 -10.459 1.00 0.51 C ATOM 892 OD1 ASP A 60 4.358 -39.470 -10.436 1.00 71.44 O ATOM 893 OD2 ASP A 60 2.591 -38.180 -10.556 1.00 73.32 O ATOM 0 H ASP A 60 6.345 -35.329 -9.944 1.00 75.12 H new ATOM 0 HA ASP A 60 4.083 -36.268 -8.518 1.00 61.12 H new ATOM 0 HB2 ASP A 60 4.259 -36.302 -10.965 1.00 0.13 H new ATOM 0 HB3 ASP A 60 5.671 -37.338 -10.892 1.00 0.13 H new ATOM 898 N GLN A 61 6.820 -38.091 -8.294 1.00 23.32 N ATOM 899 CA GLN A 61 7.459 -39.166 -7.535 1.00 62.44 C ATOM 900 C GLN A 61 7.628 -38.769 -6.068 1.00 1.45 C ATOM 901 O GLN A 61 7.463 -39.590 -5.163 1.00 71.45 O ATOM 902 CB GLN A 61 8.818 -39.515 -8.155 1.00 35.42 C ATOM 903 CG GLN A 61 8.722 -40.035 -9.586 1.00 44.34 C ATOM 904 CD GLN A 61 7.897 -41.309 -9.692 1.00 0.31 C ATOM 905 OE1 GLN A 61 8.425 -42.413 -9.583 1.00 50.34 O ATOM 906 NE2 GLN A 61 6.596 -41.167 -9.904 1.00 74.24 N ATOM 0 H GLN A 61 7.434 -37.624 -8.961 1.00 23.32 H new ATOM 0 HA GLN A 61 6.817 -40.046 -7.577 1.00 62.44 H new ATOM 0 HB2 GLN A 61 9.452 -38.629 -8.141 1.00 35.42 H new ATOM 0 HB3 GLN A 61 9.308 -40.267 -7.536 1.00 35.42 H new ATOM 0 HG2 GLN A 61 8.279 -39.266 -10.219 1.00 44.34 H new ATOM 0 HG3 GLN A 61 9.725 -40.223 -9.968 1.00 44.34 H new ATOM 0 HE21 GLN A 61 6.192 -40.234 -9.989 1.00 74.24 H new ATOM 0 HE22 GLN A 61 5.999 -41.990 -9.982 1.00 74.24 H new ATOM 915 N HIS A 62 7.943 -37.499 -5.842 1.00 24.43 N ATOM 916 CA HIS A 62 8.128 -36.962 -4.492 1.00 12.13 C ATOM 917 C HIS A 62 6.836 -36.338 -3.967 1.00 73.21 C ATOM 918 O HIS A 62 6.856 -35.607 -2.979 1.00 73.04 O ATOM 919 CB HIS A 62 9.271 -35.935 -4.460 1.00 15.25 C ATOM 920 CG HIS A 62 10.638 -36.548 -4.547 1.00 73.13 C ATOM 921 ND1 HIS A 62 11.483 -36.666 -3.462 1.00 73.44 N ATOM 922 CD2 HIS A 62 11.311 -37.068 -5.601 1.00 44.25 C ATOM 923 CE1 HIS A 62 12.613 -37.229 -3.847 1.00 2.04 C ATOM 924 NE2 HIS A 62 12.535 -37.482 -5.139 1.00 65.22 N ATOM 0 H HIS A 62 8.078 -36.812 -6.584 1.00 24.43 H new ATOM 0 HA HIS A 62 8.395 -37.793 -3.840 1.00 12.13 H new ATOM 0 HB2 HIS A 62 9.143 -35.237 -5.287 1.00 15.25 H new ATOM 0 HB3 HIS A 62 9.201 -35.355 -3.540 1.00 15.25 H new ATOM 0 HD1 HIS A 62 11.268 -36.365 -2.511 1.00 73.44 H new ATOM 0 HD2 HIS A 62 10.951 -37.143 -6.617 1.00 44.25 H new ATOM 0 HE1 HIS A 62 13.459 -37.446 -3.211 1.00 2.04 H new ATOM 933 N TRP A 63 5.723 -36.614 -4.642 1.00 60.44 N ATOM 934 CA TRP A 63 4.421 -36.057 -4.265 1.00 71.34 C ATOM 935 C TRP A 63 4.149 -36.256 -2.770 1.00 41.12 C ATOM 936 O TRP A 63 3.651 -35.353 -2.093 1.00 70.10 O ATOM 937 CB TRP A 63 3.311 -36.718 -5.099 1.00 63.22 C ATOM 938 CG TRP A 63 1.970 -36.053 -4.973 1.00 41.44 C ATOM 939 CD1 TRP A 63 1.490 -35.039 -5.749 1.00 1.51 C ATOM 940 CD2 TRP A 63 0.937 -36.357 -4.024 1.00 15.33 C ATOM 941 NE1 TRP A 63 0.227 -34.689 -5.343 1.00 61.23 N ATOM 942 CE2 TRP A 63 -0.137 -35.483 -4.285 1.00 5.13 C ATOM 943 CE3 TRP A 63 0.815 -37.278 -2.980 1.00 13.11 C ATOM 944 CZ2 TRP A 63 -1.317 -35.505 -3.537 1.00 75.22 C ATOM 945 CZ3 TRP A 63 -0.354 -37.303 -2.242 1.00 11.13 C ATOM 946 CH2 TRP A 63 -1.407 -36.421 -2.524 1.00 44.21 C ATOM 0 H TRP A 63 5.694 -37.224 -5.459 1.00 60.44 H new ATOM 0 HA TRP A 63 4.433 -34.986 -4.466 1.00 71.34 H new ATOM 0 HB2 TRP A 63 3.609 -36.715 -6.148 1.00 63.22 H new ATOM 0 HB3 TRP A 63 3.217 -37.761 -4.797 1.00 63.22 H new ATOM 0 HD1 TRP A 63 2.027 -34.578 -6.565 1.00 1.51 H new ATOM 0 HE1 TRP A 63 -0.348 -33.957 -5.760 1.00 61.23 H new ATOM 0 HE3 TRP A 63 1.621 -37.960 -2.753 1.00 13.11 H new ATOM 0 HZ2 TRP A 63 -2.128 -34.824 -3.750 1.00 75.22 H new ATOM 0 HZ3 TRP A 63 -0.458 -38.013 -1.435 1.00 11.13 H new ATOM 0 HH2 TRP A 63 -2.308 -36.465 -1.930 1.00 44.21 H new ATOM 957 N THR A 64 4.511 -37.432 -2.268 1.00 15.20 N ATOM 958 CA THR A 64 4.261 -37.808 -0.879 1.00 15.11 C ATOM 959 C THR A 64 5.179 -37.058 0.095 1.00 62.45 C ATOM 960 O THR A 64 4.850 -36.898 1.273 1.00 30.34 O ATOM 961 CB THR A 64 4.456 -39.331 -0.702 1.00 50.23 C ATOM 962 OG1 THR A 64 5.712 -39.723 -1.282 1.00 30.31 O ATOM 963 CG2 THR A 64 3.321 -40.117 -1.358 1.00 51.44 C ATOM 0 H THR A 64 4.986 -38.152 -2.812 1.00 15.20 H new ATOM 0 HA THR A 64 3.232 -37.533 -0.647 1.00 15.11 H new ATOM 0 HB THR A 64 4.451 -39.555 0.365 1.00 50.23 H new ATOM 0 HG1 THR A 64 5.838 -40.688 -1.169 1.00 30.31 H new ATOM 0 HG21 THR A 64 3.488 -41.185 -1.216 1.00 51.44 H new ATOM 0 HG22 THR A 64 2.372 -39.834 -0.903 1.00 51.44 H new ATOM 0 HG23 THR A 64 3.292 -39.893 -2.424 1.00 51.44 H new ATOM 971 N ASP A 65 6.328 -36.607 -0.403 1.00 40.42 N ATOM 972 CA ASP A 65 7.318 -35.912 0.423 1.00 24.01 C ATOM 973 C ASP A 65 6.770 -34.578 0.922 1.00 55.12 C ATOM 974 O ASP A 65 6.926 -33.557 0.259 1.00 53.31 O ATOM 975 CB ASP A 65 8.613 -35.662 -0.372 1.00 53.54 C ATOM 976 CG ASP A 65 9.315 -36.939 -0.804 1.00 25.00 C ATOM 977 OD1 ASP A 65 8.652 -37.823 -1.388 1.00 73.45 O ATOM 978 OD2 ASP A 65 10.540 -37.050 -0.591 1.00 23.21 O ATOM 0 H ASP A 65 6.599 -36.710 -1.381 1.00 40.42 H new ATOM 0 HA ASP A 65 7.538 -36.550 1.279 1.00 24.01 H new ATOM 0 HB2 ASP A 65 8.379 -35.069 -1.256 1.00 53.54 H new ATOM 0 HB3 ASP A 65 9.296 -35.070 0.238 1.00 53.54 H new ATOM 983 N ILE A 66 6.076 -34.605 2.059 1.00 10.53 N ATOM 984 CA ILE A 66 5.615 -33.388 2.733 1.00 43.50 C ATOM 985 C ILE A 66 5.602 -33.632 4.243 1.00 44.02 C ATOM 986 O ILE A 66 4.877 -34.509 4.720 1.00 1.50 O ATOM 987 CB ILE A 66 4.187 -32.950 2.281 1.00 55.33 C ATOM 988 CG1 ILE A 66 4.079 -32.867 0.744 1.00 3.24 C ATOM 989 CG2 ILE A 66 3.827 -31.601 2.908 1.00 4.12 C ATOM 990 CD1 ILE A 66 2.709 -32.457 0.244 1.00 50.03 C ATOM 0 H ILE A 66 5.817 -35.467 2.539 1.00 10.53 H new ATOM 0 HA ILE A 66 6.303 -32.587 2.464 1.00 43.50 H new ATOM 0 HB ILE A 66 3.482 -33.707 2.624 1.00 55.33 H new ATOM 0 HG12 ILE A 66 4.817 -32.154 0.376 1.00 3.24 H new ATOM 0 HG13 ILE A 66 4.334 -33.838 0.319 1.00 3.24 H new ATOM 0 HG21 ILE A 66 2.829 -31.305 2.586 1.00 4.12 H new ATOM 0 HG22 ILE A 66 3.847 -31.688 3.994 1.00 4.12 H new ATOM 0 HG23 ILE A 66 4.549 -30.848 2.591 1.00 4.12 H new ATOM 0 HD11 ILE A 66 2.715 -32.422 -0.845 1.00 50.03 H new ATOM 0 HD12 ILE A 66 1.967 -33.182 0.580 1.00 50.03 H new ATOM 0 HD13 ILE A 66 2.458 -31.472 0.638 1.00 50.03 H new ATOM 1002 N ARG A 67 6.406 -32.872 4.993 1.00 43.45 N ATOM 1003 CA ARG A 67 6.504 -33.072 6.443 1.00 13.13 C ATOM 1004 C ARG A 67 5.197 -32.636 7.126 1.00 1.21 C ATOM 1005 O ARG A 67 4.623 -33.404 7.902 1.00 12.22 O ATOM 1006 CB ARG A 67 7.746 -32.346 7.021 1.00 43.33 C ATOM 1007 CG ARG A 67 8.245 -32.897 8.366 1.00 74.24 C ATOM 1008 CD ARG A 67 7.424 -32.405 9.556 1.00 40.03 C ATOM 1009 NE ARG A 67 7.616 -30.972 9.804 1.00 51.24 N ATOM 1010 CZ ARG A 67 7.665 -30.413 11.018 1.00 52.53 C ATOM 1011 NH1 ARG A 67 7.520 -31.153 12.113 1.00 23.02 N ATOM 1012 NH2 ARG A 67 7.859 -29.108 11.136 1.00 54.53 N ATOM 0 H ARG A 67 6.992 -32.122 4.627 1.00 43.45 H new ATOM 0 HA ARG A 67 6.642 -34.134 6.648 1.00 13.13 H new ATOM 0 HB2 ARG A 67 8.557 -32.409 6.295 1.00 43.33 H new ATOM 0 HB3 ARG A 67 7.508 -31.289 7.143 1.00 43.33 H new ATOM 0 HG2 ARG A 67 8.217 -33.986 8.338 1.00 74.24 H new ATOM 0 HG3 ARG A 67 9.287 -32.608 8.506 1.00 74.24 H new ATOM 0 HD2 ARG A 67 6.368 -32.603 9.374 1.00 40.03 H new ATOM 0 HD3 ARG A 67 7.704 -32.967 10.447 1.00 40.03 H new ATOM 0 HE ARG A 67 7.719 -30.360 8.995 1.00 51.24 H new ATOM 0 HH11 ARG A 67 7.369 -32.159 12.033 1.00 23.02 H new ATOM 0 HH12 ARG A 67 7.559 -30.715 13.033 1.00 23.02 H new ATOM 0 HH21 ARG A 67 7.971 -28.532 10.302 1.00 54.53 H new ATOM 0 HH22 ARG A 67 7.897 -28.680 12.061 1.00 54.53 H new ATOM 1026 N PRO A 68 4.704 -31.398 6.874 1.00 23.24 N ATOM 1027 CA PRO A 68 3.354 -30.996 7.301 1.00 52.12 C ATOM 1028 C PRO A 68 2.269 -31.792 6.565 1.00 32.14 C ATOM 1029 O PRO A 68 2.531 -32.400 5.523 1.00 54.14 O ATOM 1030 CB PRO A 68 3.267 -29.502 6.929 1.00 22.20 C ATOM 1031 CG PRO A 68 4.679 -29.070 6.712 1.00 33.01 C ATOM 1032 CD PRO A 68 5.418 -30.285 6.222 1.00 50.32 C ATOM 0 HA PRO A 68 3.193 -31.182 8.363 1.00 52.12 H new ATOM 0 HB2 PRO A 68 2.667 -29.354 6.031 1.00 22.20 H new ATOM 0 HB3 PRO A 68 2.796 -28.925 7.725 1.00 22.20 H new ATOM 0 HG2 PRO A 68 4.731 -28.262 5.982 1.00 33.01 H new ATOM 0 HG3 PRO A 68 5.118 -28.694 7.636 1.00 33.01 H new ATOM 0 HD2 PRO A 68 5.384 -30.366 5.136 1.00 50.32 H new ATOM 0 HD3 PRO A 68 6.470 -30.259 6.507 1.00 50.32 H new ATOM 1040 N LYS A 69 1.058 -31.809 7.111 1.00 33.43 N ATOM 1041 CA LYS A 69 -0.085 -32.431 6.444 1.00 33.10 C ATOM 1042 C LYS A 69 -1.235 -31.431 6.349 1.00 23.31 C ATOM 1043 O LYS A 69 -1.427 -30.609 7.247 1.00 52.50 O ATOM 1044 CB LYS A 69 -0.544 -33.708 7.175 1.00 52.20 C ATOM 1045 CG LYS A 69 0.291 -34.953 6.864 1.00 34.14 C ATOM 1046 CD LYS A 69 1.647 -34.954 7.567 1.00 43.14 C ATOM 1047 CE LYS A 69 2.508 -36.129 7.119 1.00 61.40 C ATOM 1048 NZ LYS A 69 2.917 -36.018 5.694 1.00 11.42 N ATOM 0 H LYS A 69 0.840 -31.397 8.018 1.00 33.43 H new ATOM 0 HA LYS A 69 0.226 -32.722 5.441 1.00 33.10 H new ATOM 0 HB2 LYS A 69 -0.516 -33.526 8.249 1.00 52.20 H new ATOM 0 HB3 LYS A 69 -1.583 -33.908 6.913 1.00 52.20 H new ATOM 0 HG2 LYS A 69 -0.267 -35.841 7.161 1.00 34.14 H new ATOM 0 HG3 LYS A 69 0.446 -35.020 5.787 1.00 34.14 H new ATOM 0 HD2 LYS A 69 2.167 -34.020 7.357 1.00 43.14 H new ATOM 0 HD3 LYS A 69 1.499 -35.001 8.646 1.00 43.14 H new ATOM 0 HE2 LYS A 69 3.397 -36.185 7.747 1.00 61.40 H new ATOM 0 HE3 LYS A 69 1.956 -37.057 7.265 1.00 61.40 H new ATOM 0 HZ1 LYS A 69 3.514 -36.830 5.440 1.00 11.42 H new ATOM 0 HZ2 LYS A 69 2.071 -36.008 5.090 1.00 11.42 H new ATOM 0 HZ3 LYS A 69 3.452 -35.137 5.554 1.00 11.42 H new ATOM 1062 N SER A 70 -1.993 -31.503 5.259 1.00 2.31 N ATOM 1063 CA SER A 70 -3.085 -30.571 5.011 1.00 33.04 C ATOM 1064 C SER A 70 -4.253 -31.293 4.342 1.00 22.05 C ATOM 1065 O SER A 70 -4.050 -32.146 3.471 1.00 32.33 O ATOM 1066 CB SER A 70 -2.596 -29.417 4.126 1.00 21.44 C ATOM 1067 OG SER A 70 -3.639 -28.497 3.847 1.00 12.21 O ATOM 0 H SER A 70 -1.868 -32.204 4.529 1.00 2.31 H new ATOM 0 HA SER A 70 -3.427 -30.165 5.963 1.00 33.04 H new ATOM 0 HB2 SER A 70 -1.776 -28.899 4.623 1.00 21.44 H new ATOM 0 HB3 SER A 70 -2.202 -29.816 3.191 1.00 21.44 H new ATOM 0 HG SER A 70 -3.295 -27.773 3.283 1.00 12.21 H new ATOM 1073 N LEU A 71 -5.467 -30.954 4.762 1.00 31.13 N ATOM 1074 CA LEU A 71 -6.675 -31.548 4.196 1.00 15.23 C ATOM 1075 C LEU A 71 -6.917 -30.975 2.798 1.00 23.01 C ATOM 1076 O LEU A 71 -7.500 -29.899 2.644 1.00 0.43 O ATOM 1077 CB LEU A 71 -7.883 -31.291 5.126 1.00 13.44 C ATOM 1078 CG LEU A 71 -9.121 -32.206 4.935 1.00 41.44 C ATOM 1079 CD1 LEU A 71 -9.824 -31.952 3.601 1.00 51.23 C ATOM 1080 CD2 LEU A 71 -8.724 -33.676 5.056 1.00 31.11 C ATOM 0 H LEU A 71 -5.642 -30.268 5.496 1.00 31.13 H new ATOM 0 HA LEU A 71 -6.547 -32.627 4.110 1.00 15.23 H new ATOM 0 HB2 LEU A 71 -7.544 -31.389 6.157 1.00 13.44 H new ATOM 0 HB3 LEU A 71 -8.201 -30.257 4.992 1.00 13.44 H new ATOM 0 HG LEU A 71 -9.829 -31.962 5.727 1.00 41.44 H new ATOM 0 HD11 LEU A 71 -10.684 -32.615 3.511 1.00 51.23 H new ATOM 0 HD12 LEU A 71 -10.158 -30.916 3.558 1.00 51.23 H new ATOM 0 HD13 LEU A 71 -9.131 -32.144 2.782 1.00 51.23 H new ATOM 0 HD21 LEU A 71 -9.605 -34.303 4.919 1.00 31.11 H new ATOM 0 HD22 LEU A 71 -7.985 -33.917 4.292 1.00 31.11 H new ATOM 0 HD23 LEU A 71 -8.299 -33.858 6.043 1.00 31.11 H new ATOM 1092 N ARG A 72 -6.421 -31.681 1.788 1.00 14.22 N ATOM 1093 CA ARG A 72 -6.604 -31.279 0.395 1.00 4.30 C ATOM 1094 C ARG A 72 -7.975 -31.716 -0.112 1.00 30.11 C ATOM 1095 O ARG A 72 -8.823 -30.883 -0.437 1.00 10.34 O ATOM 1096 CB ARG A 72 -5.490 -31.878 -0.483 1.00 53.44 C ATOM 1097 CG ARG A 72 -4.113 -31.255 -0.253 1.00 5.31 C ATOM 1098 CD ARG A 72 -3.905 -29.975 -1.062 1.00 1.01 C ATOM 1099 NE ARG A 72 -4.885 -28.930 -0.753 1.00 45.33 N ATOM 1100 CZ ARG A 72 -5.060 -27.828 -1.491 1.00 12.43 C ATOM 1101 NH1 ARG A 72 -4.327 -27.622 -2.580 1.00 54.12 N ATOM 1102 NH2 ARG A 72 -5.973 -26.938 -1.144 1.00 3.22 N ATOM 0 H ARG A 72 -5.885 -32.541 1.908 1.00 14.22 H new ATOM 0 HA ARG A 72 -6.547 -30.192 0.337 1.00 4.30 H new ATOM 0 HB2 ARG A 72 -5.429 -32.950 -0.293 1.00 53.44 H new ATOM 0 HB3 ARG A 72 -5.762 -31.755 -1.531 1.00 53.44 H new ATOM 0 HG2 ARG A 72 -3.991 -31.034 0.807 1.00 5.31 H new ATOM 0 HG3 ARG A 72 -3.342 -31.978 -0.519 1.00 5.31 H new ATOM 0 HD2 ARG A 72 -2.903 -29.592 -0.872 1.00 1.01 H new ATOM 0 HD3 ARG A 72 -3.959 -30.212 -2.125 1.00 1.01 H new ATOM 0 HE ARG A 72 -5.469 -29.050 0.075 1.00 45.33 H new ATOM 0 HH11 ARG A 72 -3.624 -28.307 -2.859 1.00 54.12 H new ATOM 0 HH12 ARG A 72 -4.467 -26.779 -3.137 1.00 54.12 H new ATOM 0 HH21 ARG A 72 -6.545 -27.091 -0.313 1.00 3.22 H new ATOM 0 HH22 ARG A 72 -6.106 -26.098 -1.707 1.00 3.22 H new ATOM 1116 N GLU A 73 -8.190 -33.026 -0.149 1.00 64.25 N ATOM 1117 CA GLU A 73 -9.434 -33.599 -0.659 1.00 44.44 C ATOM 1118 C GLU A 73 -9.991 -34.623 0.322 1.00 24.34 C ATOM 1119 O GLU A 73 -9.264 -35.126 1.183 1.00 70.21 O ATOM 1120 CB GLU A 73 -9.194 -34.285 -2.017 1.00 2.40 C ATOM 1121 CG GLU A 73 -8.698 -33.357 -3.125 1.00 2.13 C ATOM 1122 CD GLU A 73 -9.707 -32.282 -3.501 1.00 51.34 C ATOM 1123 OE1 GLU A 73 -10.871 -32.629 -3.797 1.00 3.40 O ATOM 1124 OE2 GLU A 73 -9.340 -31.085 -3.510 1.00 61.01 O ATOM 0 H GLU A 73 -7.513 -33.719 0.171 1.00 64.25 H new ATOM 0 HA GLU A 73 -10.151 -32.788 -0.783 1.00 44.44 H new ATOM 0 HB2 GLU A 73 -8.467 -35.086 -1.880 1.00 2.40 H new ATOM 0 HB3 GLU A 73 -10.124 -34.751 -2.342 1.00 2.40 H new ATOM 0 HG2 GLU A 73 -7.772 -32.881 -2.804 1.00 2.13 H new ATOM 0 HG3 GLU A 73 -8.462 -33.950 -4.009 1.00 2.13 H new ATOM 1131 N LYS A 74 -11.280 -34.920 0.191 1.00 70.24 N ATOM 1132 CA LYS A 74 -11.898 -36.018 0.922 1.00 22.11 C ATOM 1133 C LYS A 74 -11.674 -37.316 0.147 1.00 62.44 C ATOM 1134 O LYS A 74 -12.016 -37.401 -1.034 1.00 64.25 O ATOM 1135 CB LYS A 74 -13.407 -35.775 1.110 1.00 3.23 C ATOM 1136 CG LYS A 74 -13.751 -34.636 2.067 1.00 3.54 C ATOM 1137 CD LYS A 74 -13.307 -34.935 3.499 1.00 75.42 C ATOM 1138 CE LYS A 74 -13.771 -33.857 4.475 1.00 24.23 C ATOM 1139 NZ LYS A 74 -15.257 -33.768 4.548 1.00 24.03 N ATOM 0 H LYS A 74 -11.920 -34.411 -0.419 1.00 70.24 H new ATOM 0 HA LYS A 74 -11.442 -36.087 1.910 1.00 22.11 H new ATOM 0 HB2 LYS A 74 -13.852 -35.563 0.138 1.00 3.23 H new ATOM 0 HB3 LYS A 74 -13.867 -36.692 1.477 1.00 3.23 H new ATOM 0 HG2 LYS A 74 -13.274 -33.718 1.724 1.00 3.54 H new ATOM 0 HG3 LYS A 74 -14.827 -34.461 2.050 1.00 3.54 H new ATOM 0 HD2 LYS A 74 -13.706 -35.901 3.809 1.00 75.42 H new ATOM 0 HD3 LYS A 74 -12.220 -35.013 3.534 1.00 75.42 H new ATOM 0 HE2 LYS A 74 -13.372 -34.071 5.467 1.00 24.23 H new ATOM 0 HE3 LYS A 74 -13.365 -32.893 4.169 1.00 24.23 H new ATOM 0 HZ1 LYS A 74 -15.531 -33.219 5.388 1.00 24.03 H new ATOM 0 HZ2 LYS A 74 -15.619 -33.298 3.694 1.00 24.03 H new ATOM 0 HZ3 LYS A 74 -15.659 -34.725 4.614 1.00 24.03 H new ATOM 1153 N LEU A 75 -11.090 -38.313 0.805 1.00 35.34 N ATOM 1154 CA LEU A 75 -10.825 -39.610 0.174 1.00 23.12 C ATOM 1155 C LEU A 75 -12.124 -40.264 -0.296 1.00 31.02 C ATOM 1156 O LEU A 75 -12.128 -41.092 -1.214 1.00 35.24 O ATOM 1157 CB LEU A 75 -10.047 -40.520 1.144 1.00 12.51 C ATOM 1158 CG LEU A 75 -10.632 -40.680 2.563 1.00 13.42 C ATOM 1159 CD1 LEU A 75 -11.818 -41.640 2.587 1.00 51.34 C ATOM 1160 CD2 LEU A 75 -9.556 -41.139 3.541 1.00 72.41 C ATOM 0 H LEU A 75 -10.789 -38.251 1.778 1.00 35.34 H new ATOM 0 HA LEU A 75 -10.207 -39.452 -0.710 1.00 23.12 H new ATOM 0 HB2 LEU A 75 -9.970 -41.510 0.694 1.00 12.51 H new ATOM 0 HB3 LEU A 75 -9.033 -40.131 1.236 1.00 12.51 H new ATOM 0 HG LEU A 75 -10.996 -39.701 2.874 1.00 13.42 H new ATOM 0 HD11 LEU A 75 -12.198 -41.723 3.605 1.00 51.34 H new ATOM 0 HD12 LEU A 75 -12.605 -41.262 1.935 1.00 51.34 H new ATOM 0 HD13 LEU A 75 -11.498 -42.622 2.238 1.00 51.34 H new ATOM 0 HD21 LEU A 75 -9.990 -41.246 4.535 1.00 72.41 H new ATOM 0 HD22 LEU A 75 -9.154 -42.099 3.216 1.00 72.41 H new ATOM 0 HD23 LEU A 75 -8.754 -40.401 3.572 1.00 72.41 H new ATOM 1172 N ALA A 76 -13.223 -39.881 0.337 1.00 23.23 N ATOM 1173 CA ALA A 76 -14.552 -40.334 -0.050 1.00 45.32 C ATOM 1174 C ALA A 76 -15.535 -39.173 0.048 1.00 65.42 C ATOM 1175 O ALA A 76 -15.714 -38.599 1.125 1.00 13.14 O ATOM 1176 CB ALA A 76 -15.003 -41.498 0.828 1.00 72.54 C ATOM 0 H ALA A 76 -13.219 -39.246 1.135 1.00 23.23 H new ATOM 0 HA ALA A 76 -14.520 -40.687 -1.081 1.00 45.32 H new ATOM 0 HB1 ALA A 76 -15.998 -41.821 0.522 1.00 72.54 H new ATOM 0 HB2 ALA A 76 -14.304 -42.327 0.720 1.00 72.54 H new ATOM 0 HB3 ALA A 76 -15.030 -41.179 1.870 1.00 72.54 H new ATOM 1182 N SER A 77 -16.152 -38.820 -1.073 1.00 75.32 N ATOM 1183 CA SER A 77 -17.102 -37.719 -1.111 1.00 12.25 C ATOM 1184 C SER A 77 -18.368 -38.109 -0.345 1.00 32.34 C ATOM 1185 O SER A 77 -19.122 -38.988 -0.778 1.00 31.55 O ATOM 1186 CB SER A 77 -17.430 -37.350 -2.565 1.00 55.35 C ATOM 1187 OG SER A 77 -18.154 -36.130 -2.639 1.00 45.41 O ATOM 0 H SER A 77 -16.010 -39.283 -1.970 1.00 75.32 H new ATOM 0 HA SER A 77 -16.662 -36.843 -0.634 1.00 12.25 H new ATOM 0 HB2 SER A 77 -16.506 -37.262 -3.137 1.00 55.35 H new ATOM 0 HB3 SER A 77 -18.013 -38.149 -3.022 1.00 55.35 H new ATOM 0 HG SER A 77 -18.347 -35.920 -3.577 1.00 45.41 H new ATOM 1193 N GLY A 78 -18.577 -37.471 0.802 1.00 44.34 N ATOM 1194 CA GLY A 78 -19.679 -37.819 1.680 1.00 72.14 C ATOM 1195 C GLY A 78 -19.235 -37.806 3.129 1.00 74.32 C ATOM 1196 O GLY A 78 -18.464 -36.928 3.533 1.00 34.32 O ATOM 0 H GLY A 78 -17.993 -36.708 1.143 1.00 44.34 H new ATOM 0 HA2 GLY A 78 -20.499 -37.114 1.539 1.00 72.14 H new ATOM 0 HA3 GLY A 78 -20.060 -38.807 1.420 1.00 72.14 H new ATOM 1200 N GLN A 79 -19.681 -38.789 3.901 1.00 65.34 N ATOM 1201 CA GLN A 79 -19.314 -38.888 5.309 1.00 64.55 C ATOM 1202 C GLN A 79 -19.412 -40.337 5.778 1.00 10.44 C ATOM 1203 O GLN A 79 -20.506 -40.899 5.861 1.00 4.52 O ATOM 1204 CB GLN A 79 -20.208 -37.977 6.170 1.00 32.42 C ATOM 1205 CG GLN A 79 -19.892 -38.018 7.666 1.00 42.23 C ATOM 1206 CD GLN A 79 -18.422 -37.764 7.967 1.00 52.43 C ATOM 1207 OE1 GLN A 79 -17.992 -36.620 8.120 1.00 31.31 O ATOM 1208 NE2 GLN A 79 -17.646 -38.832 8.076 1.00 13.30 N ATOM 0 H GLN A 79 -20.300 -39.532 3.575 1.00 65.34 H new ATOM 0 HA GLN A 79 -18.283 -38.555 5.423 1.00 64.55 H new ATOM 0 HB2 GLN A 79 -20.108 -36.951 5.817 1.00 32.42 H new ATOM 0 HB3 GLN A 79 -21.249 -38.264 6.022 1.00 32.42 H new ATOM 0 HG2 GLN A 79 -20.497 -37.272 8.181 1.00 42.23 H new ATOM 0 HG3 GLN A 79 -20.177 -38.991 8.066 1.00 42.23 H new ATOM 0 HE21 GLN A 79 -18.039 -39.764 7.942 1.00 13.30 H new ATOM 0 HE22 GLN A 79 -16.656 -38.723 8.294 1.00 13.30 H new ATOM 1217 N GLY A 80 -18.256 -40.934 6.057 1.00 4.32 N ATOM 1218 CA GLY A 80 -18.203 -42.305 6.531 1.00 64.22 C ATOM 1219 C GLY A 80 -17.759 -42.370 7.979 1.00 51.02 C ATOM 1220 O GLY A 80 -18.628 -42.389 8.875 1.00 40.05 O ATOM 1221 OXT GLY A 80 -16.538 -42.361 8.229 1.00 0.00 O ATOM 0 H GLY A 80 -17.345 -40.485 5.961 1.00 4.32 H new ATOM 0 HA2 GLY A 80 -19.186 -42.766 6.429 1.00 64.22 H new ATOM 0 HA3 GLY A 80 -17.515 -42.880 5.911 1.00 64.22 H new TER 1225 GLY A 80