USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 992 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 125 ASN : amide:sc= 0.308 K(o=1.5,f=-5.6!) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 178:sc= 1.22! (180deg=-0.00401!) USER MOD Set 2.1: A 78 SER OG : rot -105:sc= 1.59 USER MOD Set 2.2: A 80 CYS SG : rot 90:sc= -0.434 USER MOD Set 3.1: A 23 LYS NZ :NH3+ -174:sc= 2.46 (180deg=1.25) USER MOD Set 3.2: A 60 GLN : amide:sc= 0.951 K(o=3.4,f=-6.4!) USER MOD Set 4.1: A 43 HIS : no HE2:sc= 0.535 K(o=1.5,f=-1.4) USER MOD Set 4.2: A 45 THR OG1 : rot 97:sc= 0.979 USER MOD Set 5.1: A 40 SER OG : rot 180:sc= 0.633 USER MOD Set 5.2: A 62 SER OG : rot 163:sc= 0.708 USER MOD Set 6.1: A 16 GLN : amide:sc= 1.96 K(o=4,f=0.54) USER MOD Set 6.2: A 34 SER OG : rot -56:sc= 1.99 USER MOD Set 7.1: A 8 CYS SG : rot -160:sc= -0.671 USER MOD Set 7.2: A 12 SER OG : rot -88:sc= 1.13 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.02 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.25) USER MOD Single : A 3 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.11) USER MOD Single : A 5 MET CE :methyl -179:sc= -0.902 (180deg=-0.905) USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= 0.432 (180deg=0.325) USER MOD Single : A 11 ASN : amide:sc= 0.332 K(o=0.33,f=-6.6!) USER MOD Single : A 13 CYS SG : rot 55:sc= 0.0606 USER MOD Single : A 15 SER OG : rot 172:sc= 0.0253 USER MOD Single : A 17 MET CE :methyl 158:sc= -0.283 (180deg=-0.789) USER MOD Single : A 24 THR OG1 : rot 85:sc= 1.11 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -160:sc= 0 USER MOD Single : A 35 CYS SG : rot 54:sc= -0.312 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0266 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -171:sc= 0 (180deg=-0.0828) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00653 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 2.74 K(o=2.7,f=0.2) USER MOD Single : A 69 ASN : amide:sc= 0.957 K(o=0.96,f=-0.15) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0131 K(o=-0.013,f=-1) USER MOD Single : A 92 THR OG1 : rot -29:sc= 0.243 USER MOD Single : A 93 GLN : amide:sc= 0.00575! C(o=0.0057!,f=-5.6!) USER MOD Single : A 100 GLN : amide:sc= 0.705 K(o=0.7,f=-0.59) USER MOD Single : A 107 GLN : amide:sc= 0.307 K(o=0.31,f=-0.74) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0523 USER MOD Single : A 114 THR OG1 : rot 64:sc= 1.2 USER MOD Single : A 118 GLN : amide:sc= -0.093 X(o=-0.093,f=-0.093) USER MOD Single : A 120 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.16) USER MOD Single : A 131 SER OG : rot -111:sc= 0.19 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.065 1.732 1.267 1.00 0.00 N ATOM 2 CA MET A 1 3.296 1.491 -0.195 1.00 0.00 C ATOM 3 C MET A 1 4.259 0.310 -0.423 1.00 0.00 C ATOM 4 O MET A 1 5.189 0.131 0.361 1.00 0.00 O ATOM 5 CB MET A 1 3.797 2.782 -0.903 1.00 0.00 C ATOM 6 CG MET A 1 3.923 2.671 -2.432 1.00 0.00 C ATOM 7 SD MET A 1 2.420 2.128 -3.288 1.00 0.00 S ATOM 8 CE MET A 1 1.454 3.663 -3.299 1.00 0.00 C ATOM 0 H1 MET A 1 3.076 2.755 1.456 1.00 0.00 H new ATOM 0 H2 MET A 1 2.142 1.339 1.542 1.00 0.00 H new ATOM 0 H3 MET A 1 3.816 1.270 1.818 1.00 0.00 H new ATOM 0 HA MET A 1 2.340 1.221 -0.643 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.114 3.598 -0.667 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.769 3.052 -0.491 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.218 3.643 -2.829 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.728 1.974 -2.665 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.499 3.488 -3.794 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.277 3.989 -2.274 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.005 4.436 -3.835 1.00 0.00 H new ATOM 18 N LYS A 2 4.083 -0.483 -1.498 1.00 0.00 N ATOM 19 CA LYS A 2 5.017 -1.564 -1.880 1.00 0.00 C ATOM 20 C LYS A 2 6.336 -1.004 -2.395 1.00 0.00 C ATOM 21 O LYS A 2 6.342 0.021 -3.073 1.00 0.00 O ATOM 22 CB LYS A 2 4.455 -2.468 -2.994 1.00 0.00 C ATOM 23 CG LYS A 2 3.028 -2.978 -2.788 1.00 0.00 C ATOM 24 CD LYS A 2 2.653 -3.876 -3.981 1.00 0.00 C ATOM 25 CE LYS A 2 1.147 -3.898 -4.227 1.00 0.00 C ATOM 26 NZ LYS A 2 0.410 -4.622 -3.149 1.00 0.00 N ATOM 0 H LYS A 2 3.287 -0.393 -2.129 1.00 0.00 H new ATOM 0 HA LYS A 2 5.165 -2.145 -0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.491 -1.917 -3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.115 -3.329 -3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.957 -3.538 -1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.334 -2.141 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.162 -3.520 -4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.005 -4.891 -3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.777 -2.875 -4.294 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.944 -4.374 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.603 -4.656 -3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.779 -5.591 -3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.540 -4.124 -2.245 1.00 0.00 H new ATOM 40 N LYS A 3 7.420 -1.756 -2.205 1.00 0.00 N ATOM 41 CA LYS A 3 8.733 -1.479 -2.805 1.00 0.00 C ATOM 42 C LYS A 3 9.118 -2.599 -3.770 1.00 0.00 C ATOM 43 O LYS A 3 9.232 -3.753 -3.367 1.00 0.00 O ATOM 44 CB LYS A 3 9.733 -1.252 -1.666 1.00 0.00 C ATOM 45 CG LYS A 3 10.994 -0.498 -2.105 1.00 0.00 C ATOM 46 CD LYS A 3 11.931 -0.234 -0.916 1.00 0.00 C ATOM 47 CE LYS A 3 11.269 0.666 0.141 1.00 0.00 C ATOM 48 NZ LYS A 3 12.226 1.063 1.211 1.00 0.00 N ATOM 0 H LYS A 3 7.414 -2.591 -1.620 1.00 0.00 H new ATOM 0 HA LYS A 3 8.720 -0.574 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.243 -0.693 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.022 -2.216 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.521 -1.077 -2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.712 0.449 -2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.216 -1.182 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 3 12.847 0.237 -1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.872 1.560 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.424 0.141 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.869 1.909 1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.325 0.285 1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.153 1.272 0.788 1.00 0.00 H new ATOM 62 N VAL A 4 9.278 -2.242 -5.042 1.00 0.00 N ATOM 63 CA VAL A 4 9.643 -3.135 -6.147 1.00 0.00 C ATOM 64 C VAL A 4 11.159 -3.132 -6.328 1.00 0.00 C ATOM 65 O VAL A 4 11.710 -2.116 -6.747 1.00 0.00 O ATOM 66 CB VAL A 4 8.938 -2.707 -7.451 1.00 0.00 C ATOM 67 CG1 VAL A 4 9.277 -3.645 -8.615 1.00 0.00 C ATOM 68 CG2 VAL A 4 7.411 -2.710 -7.296 1.00 0.00 C ATOM 0 H VAL A 4 9.151 -1.277 -5.348 1.00 0.00 H new ATOM 0 HA VAL A 4 9.316 -4.147 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 4 9.296 -1.699 -7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.761 -3.310 -9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.353 -3.635 -8.789 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.958 -4.658 -8.370 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.949 -2.403 -8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.074 -3.713 -7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.124 -2.015 -6.507 1.00 0.00 H new ATOM 78 N MET A 5 11.844 -4.243 -6.045 1.00 0.00 N ATOM 79 CA MET A 5 13.259 -4.379 -6.417 1.00 0.00 C ATOM 80 C MET A 5 13.377 -5.102 -7.757 1.00 0.00 C ATOM 81 O MET A 5 12.945 -6.245 -7.884 1.00 0.00 O ATOM 82 CB MET A 5 14.118 -5.078 -5.354 1.00 0.00 C ATOM 83 CG MET A 5 15.602 -5.022 -5.759 1.00 0.00 C ATOM 84 SD MET A 5 16.758 -5.843 -4.637 1.00 0.00 S ATOM 85 CE MET A 5 16.918 -4.587 -3.348 1.00 0.00 C ATOM 0 H MET A 5 11.450 -5.053 -5.566 1.00 0.00 H new ATOM 0 HA MET A 5 13.654 -3.366 -6.500 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.978 -4.596 -4.386 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.801 -6.115 -5.243 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.706 -5.469 -6.748 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.895 -3.976 -5.850 1.00 0.00 H new ATOM 0 HE1 MET A 5 17.615 -4.935 -2.586 1.00 0.00 H new ATOM 0 HE2 MET A 5 17.291 -3.661 -3.786 1.00 0.00 H new ATOM 0 HE3 MET A 5 15.944 -4.406 -2.893 1.00 0.00 H new ATOM 95 N PHE A 6 14.014 -4.462 -8.733 1.00 0.00 N ATOM 96 CA PHE A 6 14.402 -5.103 -9.988 1.00 0.00 C ATOM 97 C PHE A 6 15.789 -5.746 -9.842 1.00 0.00 C ATOM 98 O PHE A 6 16.728 -5.076 -9.416 1.00 0.00 O ATOM 99 CB PHE A 6 14.317 -4.088 -11.131 1.00 0.00 C ATOM 100 CG PHE A 6 12.889 -3.769 -11.525 1.00 0.00 C ATOM 101 CD1 PHE A 6 12.165 -4.697 -12.293 1.00 0.00 C ATOM 102 CD2 PHE A 6 12.266 -2.576 -11.116 1.00 0.00 C ATOM 103 CE1 PHE A 6 10.853 -4.417 -12.702 1.00 0.00 C ATOM 104 CE2 PHE A 6 10.935 -2.313 -11.499 1.00 0.00 C ATOM 105 CZ PHE A 6 10.239 -3.216 -12.321 1.00 0.00 C ATOM 0 H PHE A 6 14.278 -3.478 -8.676 1.00 0.00 H new ATOM 0 HA PHE A 6 13.713 -5.911 -10.233 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.821 -3.169 -10.833 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.850 -4.478 -11.998 1.00 0.00 H new ATOM 0 HD1 PHE A 6 12.623 -5.635 -12.571 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.806 -1.863 -10.510 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.315 -5.128 -13.311 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.447 -1.412 -11.159 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.239 -2.986 -12.657 1.00 0.00 H new ATOM 115 N VAL A 7 15.932 -7.030 -10.184 1.00 0.00 N ATOM 116 CA VAL A 7 17.164 -7.824 -9.979 1.00 0.00 C ATOM 117 C VAL A 7 17.671 -8.463 -11.274 1.00 0.00 C ATOM 118 O VAL A 7 16.884 -8.818 -12.149 1.00 0.00 O ATOM 119 CB VAL A 7 17.020 -8.862 -8.838 1.00 0.00 C ATOM 120 CG1 VAL A 7 16.585 -8.187 -7.534 1.00 0.00 C ATOM 121 CG2 VAL A 7 16.033 -9.995 -9.132 1.00 0.00 C ATOM 0 H VAL A 7 15.182 -7.565 -10.621 1.00 0.00 H new ATOM 0 HA VAL A 7 17.928 -7.115 -9.660 1.00 0.00 H new ATOM 0 HB VAL A 7 18.013 -9.302 -8.746 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.491 -8.938 -6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.330 -7.447 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.624 -7.695 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 7 15.995 -10.675 -8.281 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.042 -9.577 -9.308 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.359 -10.541 -10.018 1.00 0.00 H new ATOM 131 N CYS A 8 18.991 -8.583 -11.429 1.00 0.00 N ATOM 132 CA CYS A 8 19.626 -9.131 -12.640 1.00 0.00 C ATOM 133 C CYS A 8 21.018 -9.719 -12.340 1.00 0.00 C ATOM 134 O CYS A 8 21.612 -9.407 -11.310 1.00 0.00 O ATOM 135 CB CYS A 8 19.691 -7.995 -13.682 1.00 0.00 C ATOM 136 SG CYS A 8 20.317 -8.576 -15.286 1.00 0.00 S ATOM 0 H CYS A 8 19.660 -8.301 -10.713 1.00 0.00 H new ATOM 0 HA CYS A 8 19.038 -9.962 -13.030 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.697 -7.567 -13.814 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.334 -7.198 -13.309 1.00 0.00 H new ATOM 0 HG CYS A 8 20.756 -7.563 -15.973 1.00 0.00 H new ATOM 142 N LYS A 9 21.558 -10.552 -13.239 1.00 0.00 N ATOM 143 CA LYS A 9 22.964 -11.006 -13.198 1.00 0.00 C ATOM 144 C LYS A 9 23.917 -9.878 -13.632 1.00 0.00 C ATOM 145 O LYS A 9 23.493 -8.883 -14.216 1.00 0.00 O ATOM 146 CB LYS A 9 23.118 -12.296 -14.033 1.00 0.00 C ATOM 147 CG LYS A 9 22.422 -13.477 -13.337 1.00 0.00 C ATOM 148 CD LYS A 9 22.638 -14.804 -14.084 1.00 0.00 C ATOM 149 CE LYS A 9 21.946 -15.939 -13.316 1.00 0.00 C ATOM 150 NZ LYS A 9 22.173 -17.271 -13.951 1.00 0.00 N ATOM 0 H LYS A 9 21.031 -10.936 -14.024 1.00 0.00 H new ATOM 0 HA LYS A 9 23.244 -11.253 -12.174 1.00 0.00 H new ATOM 0 HB2 LYS A 9 22.690 -12.147 -15.024 1.00 0.00 H new ATOM 0 HB3 LYS A 9 24.175 -12.521 -14.173 1.00 0.00 H new ATOM 0 HG2 LYS A 9 22.800 -13.570 -12.319 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.354 -13.274 -13.263 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.235 -14.735 -15.094 1.00 0.00 H new ATOM 0 HD3 LYS A 9 23.704 -15.011 -14.179 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.316 -15.960 -12.291 1.00 0.00 H new ATOM 0 HE3 LYS A 9 20.875 -15.741 -13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 21.486 -17.956 -13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 22.053 -17.190 -14.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 23.138 -17.597 -13.739 1.00 0.00 H new ATOM 164 N ARG A 10 25.217 -10.052 -13.364 1.00 0.00 N ATOM 165 CA ARG A 10 26.268 -9.009 -13.483 1.00 0.00 C ATOM 166 C ARG A 10 26.536 -8.464 -14.899 1.00 0.00 C ATOM 167 O ARG A 10 27.141 -7.403 -15.042 1.00 0.00 O ATOM 168 CB ARG A 10 27.579 -9.576 -12.902 1.00 0.00 C ATOM 169 CG ARG A 10 28.349 -8.509 -12.112 1.00 0.00 C ATOM 170 CD ARG A 10 29.757 -8.984 -11.752 1.00 0.00 C ATOM 171 NE ARG A 10 30.281 -8.243 -10.589 1.00 0.00 N ATOM 172 CZ ARG A 10 31.541 -8.081 -10.227 1.00 0.00 C ATOM 173 NH1 ARG A 10 32.533 -8.549 -10.934 1.00 0.00 N ATOM 174 NH2 ARG A 10 31.825 -7.443 -9.126 1.00 0.00 N ATOM 0 H ARG A 10 25.588 -10.948 -13.048 1.00 0.00 H new ATOM 0 HA ARG A 10 25.888 -8.150 -12.929 1.00 0.00 H new ATOM 0 HB2 ARG A 10 27.355 -10.421 -12.251 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.204 -9.954 -13.711 1.00 0.00 H new ATOM 0 HG2 ARG A 10 28.412 -7.594 -12.701 1.00 0.00 H new ATOM 0 HG3 ARG A 10 27.803 -8.265 -11.201 1.00 0.00 H new ATOM 0 HD2 ARG A 10 29.740 -10.051 -11.531 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.421 -8.846 -12.605 1.00 0.00 H new ATOM 0 HE ARG A 10 29.584 -7.801 -9.990 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.348 -9.059 -11.798 1.00 0.00 H new ATOM 0 HH12 ARG A 10 33.494 -8.404 -10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 10 31.075 -7.069 -8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 10 32.798 -7.317 -8.846 1.00 0.00 H new ATOM 188 N ASN A 11 26.113 -9.184 -15.943 1.00 0.00 N ATOM 189 CA ASN A 11 26.489 -8.913 -17.338 1.00 0.00 C ATOM 190 C ASN A 11 25.835 -7.684 -18.007 1.00 0.00 C ATOM 191 O ASN A 11 26.250 -7.327 -19.109 1.00 0.00 O ATOM 192 CB ASN A 11 26.264 -10.193 -18.175 1.00 0.00 C ATOM 193 CG ASN A 11 24.811 -10.500 -18.519 1.00 0.00 C ATOM 194 OD1 ASN A 11 23.862 -9.978 -17.950 1.00 0.00 O ATOM 195 ND2 ASN A 11 24.593 -11.385 -19.464 1.00 0.00 N ATOM 0 H ASN A 11 25.489 -9.985 -15.843 1.00 0.00 H new ATOM 0 HA ASN A 11 27.543 -8.636 -17.305 1.00 0.00 H new ATOM 0 HB2 ASN A 11 26.829 -10.104 -19.103 1.00 0.00 H new ATOM 0 HB3 ASN A 11 26.678 -11.041 -17.630 1.00 0.00 H new ATOM 0 HD21 ASN A 11 23.637 -11.633 -19.720 1.00 0.00 H new ATOM 0 HD22 ASN A 11 25.379 -11.824 -19.943 1.00 0.00 H new ATOM 202 N SER A 12 24.825 -7.057 -17.389 1.00 0.00 N ATOM 203 CA SER A 12 24.005 -6.020 -18.045 1.00 0.00 C ATOM 204 C SER A 12 23.505 -4.907 -17.116 1.00 0.00 C ATOM 205 O SER A 12 23.702 -4.939 -15.901 1.00 0.00 O ATOM 206 CB SER A 12 22.816 -6.712 -18.722 1.00 0.00 C ATOM 207 OG SER A 12 21.840 -7.045 -17.744 1.00 0.00 O ATOM 0 H SER A 12 24.551 -7.250 -16.426 1.00 0.00 H new ATOM 0 HA SER A 12 24.650 -5.514 -18.764 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.381 -6.056 -19.476 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.151 -7.612 -19.238 1.00 0.00 H new ATOM 0 HG SER A 12 22.039 -7.929 -17.371 1.00 0.00 H new ATOM 213 N CYS A 13 22.776 -3.947 -17.701 1.00 0.00 N ATOM 214 CA CYS A 13 22.020 -2.903 -16.998 1.00 0.00 C ATOM 215 C CYS A 13 20.510 -3.195 -16.883 1.00 0.00 C ATOM 216 O CYS A 13 19.754 -2.290 -16.555 1.00 0.00 O ATOM 217 CB CYS A 13 22.331 -1.548 -17.670 1.00 0.00 C ATOM 218 SG CYS A 13 21.822 -1.514 -19.418 1.00 0.00 S ATOM 0 H CYS A 13 22.694 -3.874 -18.715 1.00 0.00 H new ATOM 0 HA CYS A 13 22.346 -2.875 -15.958 1.00 0.00 H new ATOM 0 HB2 CYS A 13 21.821 -0.751 -17.129 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.400 -1.347 -17.601 1.00 0.00 H new ATOM 0 HG CYS A 13 20.562 -1.821 -19.509 1.00 0.00 H new ATOM 224 N ARG A 14 20.029 -4.420 -17.146 1.00 0.00 N ATOM 225 CA ARG A 14 18.592 -4.764 -17.281 1.00 0.00 C ATOM 226 C ARG A 14 17.774 -4.455 -16.026 1.00 0.00 C ATOM 227 O ARG A 14 16.672 -3.944 -16.151 1.00 0.00 O ATOM 228 CB ARG A 14 18.445 -6.247 -17.705 1.00 0.00 C ATOM 229 CG ARG A 14 18.856 -6.504 -19.168 1.00 0.00 C ATOM 230 CD ARG A 14 18.784 -7.994 -19.541 1.00 0.00 C ATOM 231 NE ARG A 14 19.888 -8.776 -18.934 1.00 0.00 N ATOM 232 CZ ARG A 14 20.048 -10.089 -18.956 1.00 0.00 C ATOM 233 NH1 ARG A 14 19.194 -10.882 -19.532 1.00 0.00 N ATOM 234 NH2 ARG A 14 21.095 -10.650 -18.417 1.00 0.00 N ATOM 0 H ARG A 14 20.641 -5.226 -17.275 1.00 0.00 H new ATOM 0 HA ARG A 14 18.178 -4.124 -18.061 1.00 0.00 H new ATOM 0 HB2 ARG A 14 19.055 -6.868 -17.049 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.409 -6.557 -17.566 1.00 0.00 H new ATOM 0 HG2 ARG A 14 18.206 -5.934 -19.831 1.00 0.00 H new ATOM 0 HG3 ARG A 14 19.871 -6.140 -19.327 1.00 0.00 H new ATOM 0 HD2 ARG A 14 17.828 -8.403 -19.214 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.821 -8.098 -20.625 1.00 0.00 H new ATOM 0 HE ARG A 14 20.605 -8.241 -18.444 1.00 0.00 H new ATOM 0 HH11 ARG A 14 18.367 -10.496 -19.987 1.00 0.00 H new ATOM 0 HH12 ARG A 14 19.351 -11.890 -19.529 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.808 -10.075 -17.969 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.201 -11.664 -18.444 1.00 0.00 H new ATOM 248 N SER A 15 18.314 -4.663 -14.825 1.00 0.00 N ATOM 249 CA SER A 15 17.658 -4.264 -13.562 1.00 0.00 C ATOM 250 C SER A 15 17.597 -2.745 -13.391 1.00 0.00 C ATOM 251 O SER A 15 16.557 -2.202 -13.027 1.00 0.00 O ATOM 252 CB SER A 15 18.384 -4.904 -12.380 1.00 0.00 C ATOM 253 OG SER A 15 19.773 -4.666 -12.504 1.00 0.00 O ATOM 0 H SER A 15 19.220 -5.113 -14.691 1.00 0.00 H new ATOM 0 HA SER A 15 16.628 -4.620 -13.598 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.014 -4.489 -11.442 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.187 -5.976 -12.354 1.00 0.00 H new ATOM 0 HG SER A 15 20.229 -4.961 -11.688 1.00 0.00 H new ATOM 259 N GLN A 16 18.689 -2.043 -13.704 1.00 0.00 N ATOM 260 CA GLN A 16 18.786 -0.581 -13.571 1.00 0.00 C ATOM 261 C GLN A 16 17.928 0.138 -14.628 1.00 0.00 C ATOM 262 O GLN A 16 17.275 1.136 -14.326 1.00 0.00 O ATOM 263 CB GLN A 16 20.272 -0.153 -13.600 1.00 0.00 C ATOM 264 CG GLN A 16 21.185 -0.915 -12.606 1.00 0.00 C ATOM 265 CD GLN A 16 21.839 -0.022 -11.548 1.00 0.00 C ATOM 266 OE1 GLN A 16 22.974 0.417 -11.665 1.00 0.00 O ATOM 267 NE2 GLN A 16 21.148 0.262 -10.468 1.00 0.00 N ATOM 0 H GLN A 16 19.541 -2.475 -14.061 1.00 0.00 H new ATOM 0 HA GLN A 16 18.377 -0.278 -12.607 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.658 -0.296 -14.609 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.333 0.914 -13.384 1.00 0.00 H new ATOM 0 HG2 GLN A 16 20.596 -1.683 -12.104 1.00 0.00 H new ATOM 0 HG3 GLN A 16 21.966 -1.428 -13.167 1.00 0.00 H new ATOM 0 HE21 GLN A 16 20.200 -0.099 -10.360 1.00 0.00 H new ATOM 0 HE22 GLN A 16 21.559 0.843 -9.738 1.00 0.00 H new ATOM 276 N MET A 17 17.832 -0.428 -15.836 1.00 0.00 N ATOM 277 CA MET A 17 16.943 0.029 -16.915 1.00 0.00 C ATOM 278 C MET A 17 15.475 -0.305 -16.635 1.00 0.00 C ATOM 279 O MET A 17 14.609 0.528 -16.891 1.00 0.00 O ATOM 280 CB MET A 17 17.420 -0.562 -18.256 1.00 0.00 C ATOM 281 CG MET A 17 16.855 0.200 -19.459 1.00 0.00 C ATOM 282 SD MET A 17 17.488 1.895 -19.576 1.00 0.00 S ATOM 283 CE MET A 17 15.986 2.877 -19.317 1.00 0.00 C ATOM 0 H MET A 17 18.387 -1.242 -16.100 1.00 0.00 H new ATOM 0 HA MET A 17 16.996 1.116 -16.970 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.509 -0.540 -18.294 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.120 -1.608 -18.317 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.102 -0.339 -20.374 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.768 0.227 -19.388 1.00 0.00 H new ATOM 0 HE1 MET A 17 16.259 3.876 -18.978 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.433 2.950 -20.253 1.00 0.00 H new ATOM 0 HE3 MET A 17 15.362 2.396 -18.564 1.00 0.00 H new ATOM 293 N ALA A 18 15.192 -1.474 -16.043 1.00 0.00 N ATOM 294 CA ALA A 18 13.842 -1.783 -15.536 1.00 0.00 C ATOM 295 C ALA A 18 13.381 -0.762 -14.477 1.00 0.00 C ATOM 296 O ALA A 18 12.285 -0.215 -14.594 1.00 0.00 O ATOM 297 CB ALA A 18 13.813 -3.222 -15.014 1.00 0.00 C ATOM 0 H ALA A 18 15.874 -2.219 -15.903 1.00 0.00 H new ATOM 0 HA ALA A 18 13.127 -1.702 -16.355 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.816 -3.453 -14.639 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.064 -3.908 -15.823 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.538 -3.331 -14.208 1.00 0.00 H new ATOM 303 N GLU A 19 14.245 -0.399 -13.518 1.00 0.00 N ATOM 304 CA GLU A 19 13.984 0.723 -12.598 1.00 0.00 C ATOM 305 C GLU A 19 13.828 2.052 -13.349 1.00 0.00 C ATOM 306 O GLU A 19 12.942 2.817 -12.998 1.00 0.00 O ATOM 307 CB GLU A 19 15.073 0.812 -11.510 1.00 0.00 C ATOM 308 CG GLU A 19 14.974 2.091 -10.655 1.00 0.00 C ATOM 309 CD GLU A 19 16.046 2.172 -9.554 1.00 0.00 C ATOM 310 OE1 GLU A 19 17.141 1.585 -9.726 1.00 0.00 O ATOM 311 OE2 GLU A 19 15.809 2.853 -8.532 1.00 0.00 O ATOM 0 H GLU A 19 15.136 -0.868 -13.357 1.00 0.00 H new ATOM 0 HA GLU A 19 13.034 0.525 -12.102 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.999 -0.059 -10.859 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.054 0.774 -11.983 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.064 2.962 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.987 2.137 -10.195 1.00 0.00 H new ATOM 318 N GLY A 20 14.608 2.324 -14.400 1.00 0.00 N ATOM 319 CA GLY A 20 14.483 3.546 -15.209 1.00 0.00 C ATOM 320 C GLY A 20 13.080 3.741 -15.789 1.00 0.00 C ATOM 321 O GLY A 20 12.469 4.794 -15.604 1.00 0.00 O ATOM 0 H GLY A 20 15.350 1.700 -14.717 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.739 4.409 -14.595 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.205 3.510 -16.025 1.00 0.00 H new ATOM 325 N PHE A 21 12.503 2.705 -16.411 1.00 0.00 N ATOM 326 CA PHE A 21 11.100 2.751 -16.858 1.00 0.00 C ATOM 327 C PHE A 21 10.127 2.809 -15.675 1.00 0.00 C ATOM 328 O PHE A 21 9.213 3.630 -15.664 1.00 0.00 O ATOM 329 CB PHE A 21 10.808 1.578 -17.816 1.00 0.00 C ATOM 330 CG PHE A 21 11.249 1.869 -19.233 1.00 0.00 C ATOM 331 CD1 PHE A 21 10.421 2.648 -20.062 1.00 0.00 C ATOM 332 CD2 PHE A 21 12.484 1.407 -19.720 1.00 0.00 C ATOM 333 CE1 PHE A 21 10.833 2.983 -21.359 1.00 0.00 C ATOM 334 CE2 PHE A 21 12.892 1.735 -21.027 1.00 0.00 C ATOM 335 CZ PHE A 21 12.072 2.534 -21.840 1.00 0.00 C ATOM 0 H PHE A 21 12.981 1.828 -16.617 1.00 0.00 H new ATOM 0 HA PHE A 21 10.943 3.675 -17.415 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.316 0.683 -17.456 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.740 1.363 -17.808 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.464 2.989 -19.697 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.120 0.801 -19.092 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.196 3.587 -21.988 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.836 1.372 -21.405 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.395 2.803 -22.835 1.00 0.00 H new ATOM 345 N ALA A 22 10.331 2.001 -14.634 1.00 0.00 N ATOM 346 CA ALA A 22 9.397 1.905 -13.508 1.00 0.00 C ATOM 347 C ALA A 22 9.360 3.157 -12.616 1.00 0.00 C ATOM 348 O ALA A 22 8.285 3.530 -12.164 1.00 0.00 O ATOM 349 CB ALA A 22 9.741 0.631 -12.737 1.00 0.00 C ATOM 0 H ALA A 22 11.147 1.395 -14.546 1.00 0.00 H new ATOM 0 HA ALA A 22 8.379 1.849 -13.893 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.065 0.525 -11.889 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.636 -0.232 -13.395 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.768 0.690 -12.377 1.00 0.00 H new ATOM 355 N LYS A 23 10.472 3.874 -12.429 1.00 0.00 N ATOM 356 CA LYS A 23 10.503 5.163 -11.703 1.00 0.00 C ATOM 357 C LYS A 23 9.861 6.311 -12.497 1.00 0.00 C ATOM 358 O LYS A 23 9.415 7.286 -11.906 1.00 0.00 O ATOM 359 CB LYS A 23 11.943 5.485 -11.240 1.00 0.00 C ATOM 360 CG LYS A 23 12.826 6.096 -12.341 1.00 0.00 C ATOM 361 CD LYS A 23 14.258 6.362 -11.864 1.00 0.00 C ATOM 362 CE LYS A 23 14.948 7.306 -12.860 1.00 0.00 C ATOM 363 NZ LYS A 23 16.396 7.466 -12.555 1.00 0.00 N ATOM 0 H LYS A 23 11.385 3.581 -12.776 1.00 0.00 H new ATOM 0 HA LYS A 23 9.884 5.057 -10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.898 6.176 -10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.411 4.570 -10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.851 5.423 -13.198 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.381 7.030 -12.683 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.247 6.807 -10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.810 5.425 -11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.830 6.917 -13.871 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.461 8.281 -12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.806 8.186 -13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.511 7.764 -11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.884 6.560 -12.703 1.00 0.00 H new ATOM 377 N THR A 24 9.798 6.180 -13.829 1.00 0.00 N ATOM 378 CA THR A 24 9.170 7.169 -14.733 1.00 0.00 C ATOM 379 C THR A 24 7.660 6.935 -14.883 1.00 0.00 C ATOM 380 O THR A 24 6.880 7.880 -14.801 1.00 0.00 O ATOM 381 CB THR A 24 9.851 7.161 -16.114 1.00 0.00 C ATOM 382 OG1 THR A 24 11.252 7.283 -15.981 1.00 0.00 O ATOM 383 CG2 THR A 24 9.409 8.333 -16.989 1.00 0.00 C ATOM 0 H THR A 24 10.185 5.375 -14.321 1.00 0.00 H new ATOM 0 HA THR A 24 9.309 8.150 -14.278 1.00 0.00 H new ATOM 0 HB THR A 24 9.564 6.216 -16.575 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.645 6.397 -15.833 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.918 8.281 -17.951 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.331 8.284 -17.145 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.662 9.271 -16.495 1.00 0.00 H new ATOM 391 N LEU A 25 7.235 5.676 -15.071 1.00 0.00 N ATOM 392 CA LEU A 25 5.833 5.306 -15.364 1.00 0.00 C ATOM 393 C LEU A 25 5.045 4.898 -14.111 1.00 0.00 C ATOM 394 O LEU A 25 3.867 5.222 -13.972 1.00 0.00 O ATOM 395 CB LEU A 25 5.820 4.181 -16.420 1.00 0.00 C ATOM 396 CG LEU A 25 6.609 4.495 -17.707 1.00 0.00 C ATOM 397 CD1 LEU A 25 6.556 3.299 -18.653 1.00 0.00 C ATOM 398 CD2 LEU A 25 6.073 5.717 -18.455 1.00 0.00 C ATOM 0 H LEU A 25 7.861 4.872 -15.024 1.00 0.00 H new ATOM 0 HA LEU A 25 5.328 6.189 -15.755 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.229 3.276 -15.971 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.786 3.965 -16.688 1.00 0.00 H new ATOM 0 HG LEU A 25 7.631 4.710 -17.394 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.115 3.528 -19.560 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.996 2.429 -18.165 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.519 3.085 -18.911 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.670 5.886 -19.351 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.035 5.544 -18.738 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.132 6.593 -17.810 1.00 0.00 H new ATOM 410 N GLY A 26 5.722 4.228 -13.175 1.00 0.00 N ATOM 411 CA GLY A 26 5.231 3.887 -11.833 1.00 0.00 C ATOM 412 C GLY A 26 5.495 4.975 -10.790 1.00 0.00 C ATOM 413 O GLY A 26 5.242 4.731 -9.612 1.00 0.00 O ATOM 0 H GLY A 26 6.671 3.892 -13.337 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.159 3.697 -11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.703 2.960 -11.507 1.00 0.00 H new ATOM 417 N ALA A 27 5.981 6.157 -11.204 1.00 0.00 N ATOM 418 CA ALA A 27 6.408 7.272 -10.335 1.00 0.00 C ATOM 419 C ALA A 27 5.540 7.531 -9.080 1.00 0.00 C ATOM 420 O ALA A 27 6.074 7.711 -7.983 1.00 0.00 O ATOM 421 CB ALA A 27 6.450 8.541 -11.198 1.00 0.00 C ATOM 0 H ALA A 27 6.093 6.373 -12.195 1.00 0.00 H new ATOM 0 HA ALA A 27 7.381 6.989 -9.933 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.763 9.387 -10.586 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.159 8.402 -12.015 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.459 8.736 -11.607 1.00 0.00 H new ATOM 427 N GLY A 28 4.210 7.531 -9.243 1.00 0.00 N ATOM 428 CA GLY A 28 3.218 7.758 -8.178 1.00 0.00 C ATOM 429 C GLY A 28 2.390 6.522 -7.795 1.00 0.00 C ATOM 430 O GLY A 28 1.309 6.672 -7.220 1.00 0.00 O ATOM 0 H GLY A 28 3.778 7.367 -10.152 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.736 8.121 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.539 8.549 -8.496 1.00 0.00 H new ATOM 434 N LYS A 29 2.851 5.312 -8.153 1.00 0.00 N ATOM 435 CA LYS A 29 2.091 4.045 -8.060 1.00 0.00 C ATOM 436 C LYS A 29 2.707 3.029 -7.092 1.00 0.00 C ATOM 437 O LYS A 29 1.996 2.190 -6.547 1.00 0.00 O ATOM 438 CB LYS A 29 2.019 3.416 -9.465 1.00 0.00 C ATOM 439 CG LYS A 29 1.413 4.301 -10.569 1.00 0.00 C ATOM 440 CD LYS A 29 -0.043 4.711 -10.295 1.00 0.00 C ATOM 441 CE LYS A 29 -0.591 5.525 -11.476 1.00 0.00 C ATOM 442 NZ LYS A 29 -2.003 5.945 -11.251 1.00 0.00 N ATOM 0 H LYS A 29 3.791 5.180 -8.527 1.00 0.00 H new ATOM 0 HA LYS A 29 1.103 4.290 -7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.027 3.132 -9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.435 2.498 -9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.021 5.199 -10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.459 3.767 -11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.656 3.823 -10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.097 5.301 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.031 6.407 -11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.530 4.930 -12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.337 6.492 -12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.601 5.103 -11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.058 6.534 -10.396 1.00 0.00 H new ATOM 456 N ILE A 30 4.030 3.097 -6.932 1.00 0.00 N ATOM 457 CA ILE A 30 4.897 2.150 -6.215 1.00 0.00 C ATOM 458 C ILE A 30 6.208 2.837 -5.787 1.00 0.00 C ATOM 459 O ILE A 30 6.570 3.888 -6.318 1.00 0.00 O ATOM 460 CB ILE A 30 5.305 0.977 -7.147 1.00 0.00 C ATOM 461 CG1 ILE A 30 5.722 1.411 -8.575 1.00 0.00 C ATOM 462 CG2 ILE A 30 4.225 -0.111 -7.179 1.00 0.00 C ATOM 463 CD1 ILE A 30 6.482 0.335 -9.358 1.00 0.00 C ATOM 0 H ILE A 30 4.566 3.870 -7.327 1.00 0.00 H new ATOM 0 HA ILE A 30 4.338 1.793 -5.350 1.00 0.00 H new ATOM 0 HB ILE A 30 6.208 0.556 -6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.829 1.689 -9.134 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.345 2.303 -8.505 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.541 -0.918 -7.840 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.074 -0.504 -6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.291 0.314 -7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.738 0.717 -10.346 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.395 0.072 -8.823 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.855 -0.550 -9.462 1.00 0.00 H new ATOM 475 N ALA A 31 6.937 2.215 -4.858 1.00 0.00 N ATOM 476 CA ALA A 31 8.322 2.581 -4.536 1.00 0.00 C ATOM 477 C ALA A 31 9.220 1.630 -5.350 1.00 0.00 C ATOM 478 O ALA A 31 8.831 0.484 -5.587 1.00 0.00 O ATOM 479 CB ALA A 31 8.585 2.513 -3.023 1.00 0.00 C ATOM 0 H ALA A 31 6.582 1.437 -4.302 1.00 0.00 H new ATOM 0 HA ALA A 31 8.537 3.615 -4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.620 2.790 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.917 3.202 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.405 1.498 -2.668 1.00 0.00 H new ATOM 485 N VAL A 32 10.397 2.058 -5.806 1.00 0.00 N ATOM 486 CA VAL A 32 11.225 1.241 -6.713 1.00 0.00 C ATOM 487 C VAL A 32 12.731 1.390 -6.471 1.00 0.00 C ATOM 488 O VAL A 32 13.215 2.464 -6.113 1.00 0.00 O ATOM 489 CB VAL A 32 10.828 1.499 -8.180 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.148 2.915 -8.662 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.466 0.492 -9.141 1.00 0.00 C ATOM 0 H VAL A 32 10.804 2.962 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 32 11.016 0.196 -6.485 1.00 0.00 H new ATOM 0 HB VAL A 32 9.745 1.376 -8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.841 3.023 -9.702 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.611 3.638 -8.048 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.220 3.094 -8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.156 0.716 -10.162 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.552 0.558 -9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.145 -0.516 -8.877 1.00 0.00 H new ATOM 501 N THR A 33 13.453 0.284 -6.669 1.00 0.00 N ATOM 502 CA THR A 33 14.907 0.138 -6.496 1.00 0.00 C ATOM 503 C THR A 33 15.432 -0.906 -7.490 1.00 0.00 C ATOM 504 O THR A 33 14.667 -1.760 -7.943 1.00 0.00 O ATOM 505 CB THR A 33 15.218 -0.320 -5.055 1.00 0.00 C ATOM 506 OG1 THR A 33 14.557 0.493 -4.106 1.00 0.00 O ATOM 507 CG2 THR A 33 16.699 -0.302 -4.675 1.00 0.00 C ATOM 0 H THR A 33 13.016 -0.586 -6.972 1.00 0.00 H new ATOM 0 HA THR A 33 15.392 1.097 -6.679 1.00 0.00 H new ATOM 0 HB THR A 33 14.868 -1.352 -5.039 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.998 0.404 -3.235 1.00 0.00 H new ATOM 0 HG21 THR A 33 16.815 -0.640 -3.645 1.00 0.00 H new ATOM 0 HG22 THR A 33 17.253 -0.966 -5.339 1.00 0.00 H new ATOM 0 HG23 THR A 33 17.087 0.712 -4.770 1.00 0.00 H new ATOM 515 N SER A 34 16.718 -0.898 -7.833 1.00 0.00 N ATOM 516 CA SER A 34 17.350 -1.989 -8.591 1.00 0.00 C ATOM 517 C SER A 34 18.658 -2.468 -7.965 1.00 0.00 C ATOM 518 O SER A 34 19.301 -1.757 -7.193 1.00 0.00 O ATOM 519 CB SER A 34 17.555 -1.635 -10.061 1.00 0.00 C ATOM 520 OG SER A 34 18.441 -0.547 -10.187 1.00 0.00 O ATOM 0 H SER A 34 17.356 -0.138 -7.596 1.00 0.00 H new ATOM 0 HA SER A 34 16.645 -2.819 -8.543 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.950 -2.498 -10.597 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.597 -1.387 -10.518 1.00 0.00 H new ATOM 0 HG SER A 34 18.104 0.212 -9.667 1.00 0.00 H new ATOM 526 N CYS A 35 19.025 -3.708 -8.282 1.00 0.00 N ATOM 527 CA CYS A 35 20.162 -4.409 -7.704 1.00 0.00 C ATOM 528 C CYS A 35 20.682 -5.464 -8.695 1.00 0.00 C ATOM 529 O CYS A 35 19.946 -5.930 -9.564 1.00 0.00 O ATOM 530 CB CYS A 35 19.653 -5.014 -6.380 1.00 0.00 C ATOM 531 SG CYS A 35 20.847 -6.154 -5.642 1.00 0.00 S ATOM 0 H CYS A 35 18.521 -4.267 -8.970 1.00 0.00 H new ATOM 0 HA CYS A 35 21.010 -3.754 -7.503 1.00 0.00 H new ATOM 0 HB2 CYS A 35 19.438 -4.211 -5.675 1.00 0.00 H new ATOM 0 HB3 CYS A 35 18.715 -5.540 -6.560 1.00 0.00 H new ATOM 0 HG CYS A 35 21.992 -5.554 -5.505 1.00 0.00 H new ATOM 537 N GLY A 36 21.953 -5.848 -8.582 1.00 0.00 N ATOM 538 CA GLY A 36 22.528 -6.992 -9.294 1.00 0.00 C ATOM 539 C GLY A 36 22.914 -8.098 -8.316 1.00 0.00 C ATOM 540 O GLY A 36 23.381 -7.813 -7.215 1.00 0.00 O ATOM 0 H GLY A 36 22.624 -5.366 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.809 -7.375 -10.018 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.406 -6.673 -9.855 1.00 0.00 H new ATOM 544 N LEU A 37 22.783 -9.369 -8.703 1.00 0.00 N ATOM 545 CA LEU A 37 23.115 -10.515 -7.832 1.00 0.00 C ATOM 546 C LEU A 37 24.593 -10.490 -7.385 1.00 0.00 C ATOM 547 O LEU A 37 24.903 -10.852 -6.252 1.00 0.00 O ATOM 548 CB LEU A 37 22.742 -11.832 -8.549 1.00 0.00 C ATOM 549 CG LEU A 37 21.285 -12.291 -8.336 1.00 0.00 C ATOM 550 CD1 LEU A 37 20.222 -11.332 -8.874 1.00 0.00 C ATOM 551 CD2 LEU A 37 21.075 -13.637 -9.027 1.00 0.00 C ATOM 0 H LEU A 37 22.445 -9.640 -9.626 1.00 0.00 H new ATOM 0 HA LEU A 37 22.527 -10.443 -6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 37 22.918 -11.710 -9.618 1.00 0.00 H new ATOM 0 HB3 LEU A 37 23.411 -12.620 -8.204 1.00 0.00 H new ATOM 0 HG LEU A 37 21.156 -12.341 -7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.231 -11.740 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.321 -10.365 -8.380 1.00 0.00 H new ATOM 0 HD13 LEU A 37 20.356 -11.206 -9.948 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.046 -13.965 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.273 -13.533 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.756 -14.374 -8.602 1.00 0.00 H new ATOM 563 N GLU A 38 25.482 -9.965 -8.239 1.00 0.00 N ATOM 564 CA GLU A 38 26.893 -9.645 -7.941 1.00 0.00 C ATOM 565 C GLU A 38 27.176 -8.153 -8.234 1.00 0.00 C ATOM 566 O GLU A 38 28.263 -7.791 -8.687 1.00 0.00 O ATOM 567 CB GLU A 38 27.830 -10.581 -8.731 1.00 0.00 C ATOM 568 CG GLU A 38 27.555 -12.071 -8.498 1.00 0.00 C ATOM 569 CD GLU A 38 28.644 -12.938 -9.165 1.00 0.00 C ATOM 570 OE1 GLU A 38 28.492 -13.299 -10.358 1.00 0.00 O ATOM 571 OE2 GLU A 38 29.653 -13.270 -8.495 1.00 0.00 O ATOM 0 H GLU A 38 25.230 -9.740 -9.201 1.00 0.00 H new ATOM 0 HA GLU A 38 27.086 -9.811 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 38 27.732 -10.365 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 38 28.862 -10.364 -8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.524 -12.277 -7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.577 -12.333 -8.902 1.00 0.00 H new ATOM 578 N SER A 39 26.189 -7.283 -7.975 1.00 0.00 N ATOM 579 CA SER A 39 26.141 -5.870 -8.398 1.00 0.00 C ATOM 580 C SER A 39 25.906 -5.725 -9.914 1.00 0.00 C ATOM 581 O SER A 39 25.876 -6.710 -10.654 1.00 0.00 O ATOM 582 CB SER A 39 27.356 -5.074 -7.906 1.00 0.00 C ATOM 583 OG SER A 39 27.049 -3.691 -7.940 1.00 0.00 O ATOM 0 H SER A 39 25.364 -7.555 -7.441 1.00 0.00 H new ATOM 0 HA SER A 39 25.273 -5.425 -7.912 1.00 0.00 H new ATOM 0 HB2 SER A 39 27.618 -5.376 -6.892 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.222 -5.283 -8.535 1.00 0.00 H new ATOM 0 HG SER A 39 27.821 -3.177 -7.625 1.00 0.00 H new ATOM 589 N SER A 40 25.649 -4.502 -10.375 1.00 0.00 N ATOM 590 CA SER A 40 25.352 -4.147 -11.775 1.00 0.00 C ATOM 591 C SER A 40 25.700 -2.669 -12.056 1.00 0.00 C ATOM 592 O SER A 40 26.238 -1.975 -11.188 1.00 0.00 O ATOM 593 CB SER A 40 23.877 -4.453 -12.088 1.00 0.00 C ATOM 594 OG SER A 40 23.010 -3.718 -11.235 1.00 0.00 O ATOM 0 H SER A 40 25.640 -3.689 -9.759 1.00 0.00 H new ATOM 0 HA SER A 40 25.974 -4.752 -12.435 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.664 -4.206 -13.128 1.00 0.00 H new ATOM 0 HB3 SER A 40 23.691 -5.520 -11.969 1.00 0.00 H new ATOM 0 HG SER A 40 22.079 -3.929 -11.455 1.00 0.00 H new ATOM 600 N ARG A 41 25.437 -2.175 -13.274 1.00 0.00 N ATOM 601 CA ARG A 41 25.766 -0.798 -13.699 1.00 0.00 C ATOM 602 C ARG A 41 24.745 -0.184 -14.645 1.00 0.00 C ATOM 603 O ARG A 41 23.808 -0.840 -15.088 1.00 0.00 O ATOM 604 CB ARG A 41 27.190 -0.789 -14.309 1.00 0.00 C ATOM 605 CG ARG A 41 27.283 -1.483 -15.689 1.00 0.00 C ATOM 606 CD ARG A 41 28.537 -1.086 -16.477 1.00 0.00 C ATOM 607 NE ARG A 41 28.561 0.364 -16.776 1.00 0.00 N ATOM 608 CZ ARG A 41 29.611 1.129 -17.014 1.00 0.00 C ATOM 609 NH1 ARG A 41 30.822 0.654 -17.087 1.00 0.00 N ATOM 610 NH2 ARG A 41 29.436 2.409 -17.187 1.00 0.00 N ATOM 0 H ARG A 41 24.984 -2.724 -14.005 1.00 0.00 H new ATOM 0 HA ARG A 41 25.735 -0.163 -12.814 1.00 0.00 H new ATOM 0 HB2 ARG A 41 27.526 0.243 -14.409 1.00 0.00 H new ATOM 0 HB3 ARG A 41 27.874 -1.282 -13.618 1.00 0.00 H new ATOM 0 HG2 ARG A 41 27.277 -2.564 -15.547 1.00 0.00 H new ATOM 0 HG3 ARG A 41 26.398 -1.234 -16.275 1.00 0.00 H new ATOM 0 HD2 ARG A 41 29.426 -1.354 -15.906 1.00 0.00 H new ATOM 0 HD3 ARG A 41 28.575 -1.650 -17.409 1.00 0.00 H new ATOM 0 HE ARG A 41 27.654 0.830 -16.801 1.00 0.00 H new ATOM 0 HH11 ARG A 41 30.987 -0.344 -16.958 1.00 0.00 H new ATOM 0 HH12 ARG A 41 31.605 1.280 -17.273 1.00 0.00 H new ATOM 0 HH21 ARG A 41 28.498 2.807 -17.138 1.00 0.00 H new ATOM 0 HH22 ARG A 41 30.237 3.013 -17.372 1.00 0.00 H new ATOM 624 N VAL A 42 25.008 1.067 -15.011 1.00 0.00 N ATOM 625 CA VAL A 42 24.317 1.804 -16.076 1.00 0.00 C ATOM 626 C VAL A 42 25.294 2.067 -17.228 1.00 0.00 C ATOM 627 O VAL A 42 26.477 2.308 -16.996 1.00 0.00 O ATOM 628 CB VAL A 42 23.654 3.081 -15.528 1.00 0.00 C ATOM 629 CG1 VAL A 42 22.546 2.719 -14.539 1.00 0.00 C ATOM 630 CG2 VAL A 42 24.613 4.083 -14.876 1.00 0.00 C ATOM 0 H VAL A 42 25.736 1.621 -14.559 1.00 0.00 H new ATOM 0 HA VAL A 42 23.500 1.202 -16.474 1.00 0.00 H new ATOM 0 HB VAL A 42 23.248 3.586 -16.405 1.00 0.00 H new ATOM 0 HG11 VAL A 42 22.085 3.631 -14.159 1.00 0.00 H new ATOM 0 HG12 VAL A 42 21.792 2.114 -15.043 1.00 0.00 H new ATOM 0 HG13 VAL A 42 22.970 2.153 -13.709 1.00 0.00 H new ATOM 0 HG21 VAL A 42 24.051 4.947 -14.522 1.00 0.00 H new ATOM 0 HG22 VAL A 42 25.118 3.609 -14.034 1.00 0.00 H new ATOM 0 HG23 VAL A 42 25.354 4.407 -15.607 1.00 0.00 H new ATOM 640 N HIS A 43 24.834 1.954 -18.473 1.00 0.00 N ATOM 641 CA HIS A 43 25.668 2.046 -19.686 1.00 0.00 C ATOM 642 C HIS A 43 25.353 3.332 -20.474 1.00 0.00 C ATOM 643 O HIS A 43 24.169 3.603 -20.669 1.00 0.00 O ATOM 644 CB HIS A 43 25.421 0.773 -20.516 1.00 0.00 C ATOM 645 CG HIS A 43 26.179 0.763 -21.817 1.00 0.00 C ATOM 646 ND1 HIS A 43 27.568 0.729 -21.939 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.623 0.909 -23.054 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.822 0.841 -23.254 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.676 0.962 -23.945 1.00 0.00 N ATOM 0 H HIS A 43 23.848 1.792 -18.679 1.00 0.00 H new ATOM 0 HA HIS A 43 26.725 2.108 -19.427 1.00 0.00 H new ATOM 0 HB2 HIS A 43 25.708 -0.099 -19.928 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.355 0.682 -20.722 1.00 0.00 H new ATOM 0 HD1 HIS A 43 28.250 0.638 -21.186 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.571 0.971 -23.289 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.809 0.835 -23.694 1.00 0.00 H new ATOM 657 N PRO A 44 26.333 4.111 -20.983 1.00 0.00 N ATOM 658 CA PRO A 44 26.076 5.387 -21.670 1.00 0.00 C ATOM 659 C PRO A 44 25.085 5.319 -22.838 1.00 0.00 C ATOM 660 O PRO A 44 24.233 6.196 -22.969 1.00 0.00 O ATOM 661 CB PRO A 44 27.450 5.893 -22.121 1.00 0.00 C ATOM 662 CG PRO A 44 28.369 5.349 -21.035 1.00 0.00 C ATOM 663 CD PRO A 44 27.769 3.975 -20.754 1.00 0.00 C ATOM 0 HA PRO A 44 25.578 6.068 -20.980 1.00 0.00 H new ATOM 0 HB2 PRO A 44 27.719 5.515 -23.108 1.00 0.00 H new ATOM 0 HB3 PRO A 44 27.485 6.981 -22.176 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.402 5.279 -21.375 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.368 5.982 -20.148 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.199 3.219 -21.411 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.973 3.661 -19.730 1.00 0.00 H new ATOM 671 N THR A 45 25.086 4.239 -23.627 1.00 0.00 N ATOM 672 CA THR A 45 24.082 4.063 -24.700 1.00 0.00 C ATOM 673 C THR A 45 22.673 3.853 -24.132 1.00 0.00 C ATOM 674 O THR A 45 21.711 4.365 -24.689 1.00 0.00 O ATOM 675 CB THR A 45 24.476 2.923 -25.663 1.00 0.00 C ATOM 676 OG1 THR A 45 25.858 2.968 -25.954 1.00 0.00 O ATOM 677 CG2 THR A 45 23.728 2.933 -26.994 1.00 0.00 C ATOM 0 H THR A 45 25.760 3.477 -23.550 1.00 0.00 H new ATOM 0 HA THR A 45 24.064 4.988 -25.276 1.00 0.00 H new ATOM 0 HB THR A 45 24.203 2.012 -25.131 1.00 0.00 H new ATOM 0 HG1 THR A 45 26.336 2.345 -25.367 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.067 2.099 -27.608 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.658 2.837 -26.811 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.925 3.870 -27.515 1.00 0.00 H new ATOM 685 N ALA A 46 22.520 3.228 -22.959 1.00 0.00 N ATOM 686 CA ALA A 46 21.228 3.151 -22.265 1.00 0.00 C ATOM 687 C ALA A 46 20.826 4.466 -21.571 1.00 0.00 C ATOM 688 O ALA A 46 19.688 4.606 -21.144 1.00 0.00 O ATOM 689 CB ALA A 46 21.225 1.937 -21.328 1.00 0.00 C ATOM 0 H ALA A 46 23.283 2.764 -22.466 1.00 0.00 H new ATOM 0 HA ALA A 46 20.447 3.006 -23.011 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.267 1.878 -20.812 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.380 1.028 -21.909 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.026 2.041 -20.596 1.00 0.00 H new ATOM 695 N ILE A 47 21.726 5.446 -21.461 1.00 0.00 N ATOM 696 CA ILE A 47 21.347 6.808 -21.062 1.00 0.00 C ATOM 697 C ILE A 47 20.748 7.464 -22.322 1.00 0.00 C ATOM 698 O ILE A 47 19.562 7.794 -22.372 1.00 0.00 O ATOM 699 CB ILE A 47 22.540 7.608 -20.482 1.00 0.00 C ATOM 700 CG1 ILE A 47 23.180 6.864 -19.287 1.00 0.00 C ATOM 701 CG2 ILE A 47 22.053 9.006 -20.068 1.00 0.00 C ATOM 702 CD1 ILE A 47 24.421 7.541 -18.689 1.00 0.00 C ATOM 0 H ILE A 47 22.722 5.324 -21.642 1.00 0.00 H new ATOM 0 HA ILE A 47 20.620 6.791 -20.250 1.00 0.00 H new ATOM 0 HB ILE A 47 23.311 7.709 -21.246 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.431 6.756 -18.503 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.453 5.859 -19.608 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.887 9.575 -19.659 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.652 9.525 -20.939 1.00 0.00 H new ATOM 0 HG23 ILE A 47 21.273 8.911 -19.312 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.796 6.944 -17.858 1.00 0.00 H new ATOM 0 HD12 ILE A 47 25.194 7.625 -19.453 1.00 0.00 H new ATOM 0 HD13 ILE A 47 24.156 8.536 -18.331 1.00 0.00 H new ATOM 714 N ALA A 48 21.535 7.539 -23.400 1.00 0.00 N ATOM 715 CA ALA A 48 21.190 8.320 -24.592 1.00 0.00 C ATOM 716 C ALA A 48 20.015 7.751 -25.411 1.00 0.00 C ATOM 717 O ALA A 48 19.164 8.514 -25.870 1.00 0.00 O ATOM 718 CB ALA A 48 22.455 8.462 -25.449 1.00 0.00 C ATOM 0 H ALA A 48 22.432 7.058 -23.471 1.00 0.00 H new ATOM 0 HA ALA A 48 20.832 9.294 -24.259 1.00 0.00 H new ATOM 0 HB1 ALA A 48 22.225 9.040 -26.344 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.228 8.973 -24.875 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.812 7.473 -25.738 1.00 0.00 H new ATOM 724 N MET A 49 19.915 6.422 -25.549 1.00 0.00 N ATOM 725 CA MET A 49 18.829 5.774 -26.303 1.00 0.00 C ATOM 726 C MET A 49 17.477 5.789 -25.575 1.00 0.00 C ATOM 727 O MET A 49 16.465 5.389 -26.151 1.00 0.00 O ATOM 728 CB MET A 49 19.203 4.343 -26.724 1.00 0.00 C ATOM 729 CG MET A 49 20.456 4.248 -27.603 1.00 0.00 C ATOM 730 SD MET A 49 20.589 5.392 -29.005 1.00 0.00 S ATOM 731 CE MET A 49 19.096 4.977 -29.940 1.00 0.00 C ATOM 0 H MET A 49 20.582 5.766 -25.143 1.00 0.00 H new ATOM 0 HA MET A 49 18.703 6.380 -27.200 1.00 0.00 H new ATOM 0 HB2 MET A 49 19.356 3.742 -25.828 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.363 3.904 -27.262 1.00 0.00 H new ATOM 0 HG2 MET A 49 21.326 4.397 -26.964 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.517 3.232 -27.992 1.00 0.00 H new ATOM 0 HE1 MET A 49 19.040 5.601 -30.832 1.00 0.00 H new ATOM 0 HE2 MET A 49 19.130 3.927 -30.232 1.00 0.00 H new ATOM 0 HE3 MET A 49 18.217 5.153 -29.319 1.00 0.00 H new ATOM 741 N MET A 50 17.452 6.244 -24.320 1.00 0.00 N ATOM 742 CA MET A 50 16.271 6.224 -23.445 1.00 0.00 C ATOM 743 C MET A 50 15.846 7.643 -23.040 1.00 0.00 C ATOM 744 O MET A 50 14.662 7.881 -22.814 1.00 0.00 O ATOM 745 CB MET A 50 16.537 5.302 -22.241 1.00 0.00 C ATOM 746 CG MET A 50 17.243 3.997 -22.631 1.00 0.00 C ATOM 747 SD MET A 50 16.418 2.969 -23.857 1.00 0.00 S ATOM 748 CE MET A 50 17.697 1.698 -24.063 1.00 0.00 C ATOM 0 H MET A 50 18.273 6.648 -23.870 1.00 0.00 H new ATOM 0 HA MET A 50 15.422 5.813 -23.992 1.00 0.00 H new ATOM 0 HB2 MET A 50 17.146 5.834 -21.510 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.590 5.066 -21.755 1.00 0.00 H new ATOM 0 HG2 MET A 50 18.235 4.246 -23.007 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.384 3.403 -21.728 1.00 0.00 H new ATOM 0 HE1 MET A 50 17.438 1.054 -24.904 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.658 2.176 -24.255 1.00 0.00 H new ATOM 0 HE3 MET A 50 17.764 1.099 -23.155 1.00 0.00 H new ATOM 758 N GLU A 51 16.758 8.620 -23.062 1.00 0.00 N ATOM 759 CA GLU A 51 16.414 10.045 -22.919 1.00 0.00 C ATOM 760 C GLU A 51 15.477 10.519 -24.048 1.00 0.00 C ATOM 761 O GLU A 51 14.634 11.385 -23.822 1.00 0.00 O ATOM 762 CB GLU A 51 17.685 10.909 -22.926 1.00 0.00 C ATOM 763 CG GLU A 51 18.389 10.922 -21.567 1.00 0.00 C ATOM 764 CD GLU A 51 19.597 11.881 -21.593 1.00 0.00 C ATOM 765 OE1 GLU A 51 20.560 11.645 -22.363 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.587 12.892 -20.847 1.00 0.00 O ATOM 0 H GLU A 51 17.757 8.449 -23.179 1.00 0.00 H new ATOM 0 HA GLU A 51 15.897 10.157 -21.966 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.372 10.534 -23.684 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.426 11.930 -23.208 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.689 11.231 -20.791 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.722 9.915 -21.314 1.00 0.00 H new ATOM 773 N GLU A 52 15.540 9.898 -25.238 1.00 0.00 N ATOM 774 CA GLU A 52 14.609 10.168 -26.356 1.00 0.00 C ATOM 775 C GLU A 52 13.194 9.574 -26.134 1.00 0.00 C ATOM 776 O GLU A 52 12.270 9.847 -26.900 1.00 0.00 O ATOM 777 CB GLU A 52 15.240 9.767 -27.708 1.00 0.00 C ATOM 778 CG GLU A 52 15.644 8.290 -27.812 1.00 0.00 C ATOM 779 CD GLU A 52 16.085 7.886 -29.234 1.00 0.00 C ATOM 780 OE1 GLU A 52 16.839 8.615 -29.918 1.00 0.00 O ATOM 781 OE2 GLU A 52 15.687 6.792 -29.697 1.00 0.00 O ATOM 0 H GLU A 52 16.241 9.190 -25.456 1.00 0.00 H new ATOM 0 HA GLU A 52 14.446 11.245 -26.387 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.532 9.993 -28.506 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.122 10.384 -27.880 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.458 8.091 -27.115 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.804 7.666 -27.507 1.00 0.00 H new ATOM 788 N VAL A 53 13.016 8.808 -25.047 1.00 0.00 N ATOM 789 CA VAL A 53 11.735 8.305 -24.501 1.00 0.00 C ATOM 790 C VAL A 53 11.367 9.055 -23.198 1.00 0.00 C ATOM 791 O VAL A 53 10.336 8.799 -22.582 1.00 0.00 O ATOM 792 CB VAL A 53 11.813 6.763 -24.339 1.00 0.00 C ATOM 793 CG1 VAL A 53 10.526 6.079 -23.856 1.00 0.00 C ATOM 794 CG2 VAL A 53 12.184 6.102 -25.674 1.00 0.00 C ATOM 0 H VAL A 53 13.811 8.501 -24.486 1.00 0.00 H new ATOM 0 HA VAL A 53 10.920 8.508 -25.196 1.00 0.00 H new ATOM 0 HB VAL A 53 12.570 6.626 -23.567 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.692 5.005 -23.778 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.248 6.475 -22.879 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.723 6.271 -24.567 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.235 5.021 -25.543 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.428 6.342 -26.421 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.153 6.473 -26.007 1.00 0.00 H new ATOM 804 N GLY A 54 12.199 10.020 -22.776 1.00 0.00 N ATOM 805 CA GLY A 54 12.051 10.780 -21.529 1.00 0.00 C ATOM 806 C GLY A 54 12.549 10.049 -20.273 1.00 0.00 C ATOM 807 O GLY A 54 12.238 10.483 -19.161 1.00 0.00 O ATOM 0 H GLY A 54 13.020 10.300 -23.313 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.593 11.721 -21.625 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.999 11.031 -21.394 1.00 0.00 H new ATOM 811 N ILE A 55 13.297 8.948 -20.429 1.00 0.00 N ATOM 812 CA ILE A 55 13.809 8.122 -19.321 1.00 0.00 C ATOM 813 C ILE A 55 15.182 8.625 -18.847 1.00 0.00 C ATOM 814 O ILE A 55 15.973 9.161 -19.622 1.00 0.00 O ATOM 815 CB ILE A 55 13.878 6.622 -19.704 1.00 0.00 C ATOM 816 CG1 ILE A 55 12.679 6.127 -20.539 1.00 0.00 C ATOM 817 CG2 ILE A 55 14.015 5.737 -18.450 1.00 0.00 C ATOM 818 CD1 ILE A 55 11.310 6.240 -19.851 1.00 0.00 C ATOM 0 H ILE A 55 13.570 8.597 -21.347 1.00 0.00 H new ATOM 0 HA ILE A 55 13.103 8.218 -18.496 1.00 0.00 H new ATOM 0 HB ILE A 55 14.764 6.534 -20.332 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.647 6.693 -21.470 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.849 5.084 -20.805 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.061 4.689 -18.747 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.927 6.003 -17.915 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.154 5.892 -17.800 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.535 5.867 -20.520 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.314 5.650 -18.935 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.109 7.284 -19.610 1.00 0.00 H new ATOM 830 N ASP A 56 15.483 8.390 -17.576 1.00 0.00 N ATOM 831 CA ASP A 56 16.765 8.685 -16.928 1.00 0.00 C ATOM 832 C ASP A 56 17.293 7.459 -16.169 1.00 0.00 C ATOM 833 O ASP A 56 16.525 6.792 -15.477 1.00 0.00 O ATOM 834 CB ASP A 56 16.571 9.875 -15.973 1.00 0.00 C ATOM 835 CG ASP A 56 17.768 10.051 -15.024 1.00 0.00 C ATOM 836 OD1 ASP A 56 18.781 10.661 -15.436 1.00 0.00 O ATOM 837 OD2 ASP A 56 17.709 9.518 -13.890 1.00 0.00 O ATOM 0 H ASP A 56 14.811 7.969 -16.934 1.00 0.00 H new ATOM 0 HA ASP A 56 17.505 8.940 -17.687 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.431 10.787 -16.553 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.663 9.727 -15.388 1.00 0.00 H new ATOM 842 N ILE A 57 18.604 7.194 -16.256 1.00 0.00 N ATOM 843 CA ILE A 57 19.306 6.199 -15.419 1.00 0.00 C ATOM 844 C ILE A 57 20.655 6.698 -14.865 1.00 0.00 C ATOM 845 O ILE A 57 21.270 6.012 -14.057 1.00 0.00 O ATOM 846 CB ILE A 57 19.471 4.832 -16.135 1.00 0.00 C ATOM 847 CG1 ILE A 57 20.392 4.929 -17.372 1.00 0.00 C ATOM 848 CG2 ILE A 57 18.110 4.210 -16.484 1.00 0.00 C ATOM 849 CD1 ILE A 57 20.707 3.583 -18.032 1.00 0.00 C ATOM 0 H ILE A 57 19.219 7.669 -16.917 1.00 0.00 H new ATOM 0 HA ILE A 57 18.654 6.049 -14.558 1.00 0.00 H new ATOM 0 HB ILE A 57 19.964 4.162 -15.431 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.923 5.581 -18.109 1.00 0.00 H new ATOM 0 HG13 ILE A 57 21.328 5.403 -17.077 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.264 3.254 -16.984 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.537 4.053 -15.570 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.562 4.881 -17.145 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.358 3.743 -18.891 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.207 2.934 -17.313 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.780 3.114 -18.362 1.00 0.00 H new ATOM 861 N SER A 58 21.119 7.891 -15.253 1.00 0.00 N ATOM 862 CA SER A 58 22.479 8.400 -14.993 1.00 0.00 C ATOM 863 C SER A 58 22.873 8.458 -13.508 1.00 0.00 C ATOM 864 O SER A 58 24.039 8.248 -13.170 1.00 0.00 O ATOM 865 CB SER A 58 22.612 9.805 -15.594 1.00 0.00 C ATOM 866 OG SER A 58 22.084 9.831 -16.911 1.00 0.00 O ATOM 0 H SER A 58 20.544 8.553 -15.773 1.00 0.00 H new ATOM 0 HA SER A 58 23.158 7.686 -15.460 1.00 0.00 H new ATOM 0 HB2 SER A 58 22.085 10.526 -14.970 1.00 0.00 H new ATOM 0 HB3 SER A 58 23.660 10.103 -15.610 1.00 0.00 H new ATOM 0 HG SER A 58 22.174 10.734 -17.282 1.00 0.00 H new ATOM 872 N GLY A 59 21.910 8.724 -12.618 1.00 0.00 N ATOM 873 CA GLY A 59 22.127 8.802 -11.165 1.00 0.00 C ATOM 874 C GLY A 59 22.067 7.463 -10.413 1.00 0.00 C ATOM 875 O GLY A 59 22.332 7.438 -9.208 1.00 0.00 O ATOM 0 H GLY A 59 20.942 8.894 -12.889 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.101 9.256 -10.985 1.00 0.00 H new ATOM 0 HA3 GLY A 59 21.380 9.471 -10.739 1.00 0.00 H new ATOM 879 N GLN A 60 21.714 6.351 -11.077 1.00 0.00 N ATOM 880 CA GLN A 60 21.545 5.045 -10.423 1.00 0.00 C ATOM 881 C GLN A 60 22.876 4.290 -10.240 1.00 0.00 C ATOM 882 O GLN A 60 23.763 4.331 -11.095 1.00 0.00 O ATOM 883 CB GLN A 60 20.515 4.191 -11.182 1.00 0.00 C ATOM 884 CG GLN A 60 19.077 4.708 -10.977 1.00 0.00 C ATOM 885 CD GLN A 60 18.128 4.161 -12.031 1.00 0.00 C ATOM 886 OE1 GLN A 60 17.566 4.904 -12.818 1.00 0.00 O ATOM 887 NE2 GLN A 60 17.914 2.872 -12.100 1.00 0.00 N ATOM 0 H GLN A 60 21.538 6.333 -12.082 1.00 0.00 H new ATOM 0 HA GLN A 60 21.166 5.237 -9.419 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.754 4.194 -12.246 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.581 3.157 -10.844 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.725 4.421 -9.986 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.073 5.797 -11.014 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.379 2.242 -11.446 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.282 2.497 -12.807 1.00 0.00 H new ATOM 896 N THR A 61 22.979 3.568 -9.121 1.00 0.00 N ATOM 897 CA THR A 61 24.108 2.698 -8.728 1.00 0.00 C ATOM 898 C THR A 61 23.586 1.344 -8.218 1.00 0.00 C ATOM 899 O THR A 61 22.373 1.163 -8.072 1.00 0.00 O ATOM 900 CB THR A 61 24.983 3.372 -7.649 1.00 0.00 C ATOM 901 OG1 THR A 61 24.205 3.691 -6.510 1.00 0.00 O ATOM 902 CG2 THR A 61 25.636 4.663 -8.151 1.00 0.00 C ATOM 0 H THR A 61 22.238 3.570 -8.420 1.00 0.00 H new ATOM 0 HA THR A 61 24.727 2.531 -9.610 1.00 0.00 H new ATOM 0 HB THR A 61 25.765 2.656 -7.397 1.00 0.00 H new ATOM 0 HG1 THR A 61 24.773 4.116 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 61 26.240 5.098 -7.355 1.00 0.00 H new ATOM 0 HG22 THR A 61 26.271 4.440 -9.008 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.862 5.371 -8.447 1.00 0.00 H new ATOM 910 N SER A 62 24.473 0.372 -7.978 1.00 0.00 N ATOM 911 CA SER A 62 24.113 -0.989 -7.531 1.00 0.00 C ATOM 912 C SER A 62 25.098 -1.543 -6.489 1.00 0.00 C ATOM 913 O SER A 62 26.182 -0.992 -6.281 1.00 0.00 O ATOM 914 CB SER A 62 24.057 -1.913 -8.744 1.00 0.00 C ATOM 915 OG SER A 62 23.351 -3.112 -8.464 1.00 0.00 O ATOM 0 H SER A 62 25.478 0.505 -8.089 1.00 0.00 H new ATOM 0 HA SER A 62 23.137 -0.938 -7.048 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.577 -1.394 -9.574 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.071 -2.155 -9.063 1.00 0.00 H new ATOM 0 HG SER A 62 23.098 -3.547 -9.305 1.00 0.00 H new ATOM 921 N ASP A 63 24.702 -2.626 -5.817 1.00 0.00 N ATOM 922 CA ASP A 63 25.521 -3.389 -4.864 1.00 0.00 C ATOM 923 C ASP A 63 25.006 -4.850 -4.802 1.00 0.00 C ATOM 924 O ASP A 63 23.829 -5.068 -5.120 1.00 0.00 O ATOM 925 CB ASP A 63 25.471 -2.701 -3.486 1.00 0.00 C ATOM 926 CG ASP A 63 26.728 -2.973 -2.642 1.00 0.00 C ATOM 927 OD1 ASP A 63 27.847 -2.616 -3.085 1.00 0.00 O ATOM 928 OD2 ASP A 63 26.608 -3.502 -1.511 1.00 0.00 O ATOM 0 H ASP A 63 23.765 -3.014 -5.924 1.00 0.00 H new ATOM 0 HA ASP A 63 26.562 -3.415 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 63 25.357 -1.626 -3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 63 24.592 -3.047 -2.943 1.00 0.00 H new ATOM 933 N PRO A 64 25.816 -5.867 -4.430 1.00 0.00 N ATOM 934 CA PRO A 64 25.389 -7.270 -4.442 1.00 0.00 C ATOM 935 C PRO A 64 24.170 -7.538 -3.553 1.00 0.00 C ATOM 936 O PRO A 64 24.123 -7.093 -2.404 1.00 0.00 O ATOM 937 CB PRO A 64 26.604 -8.092 -3.997 1.00 0.00 C ATOM 938 CG PRO A 64 27.786 -7.194 -4.353 1.00 0.00 C ATOM 939 CD PRO A 64 27.229 -5.798 -4.086 1.00 0.00 C ATOM 0 HA PRO A 64 25.061 -7.550 -5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 64 26.572 -8.311 -2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 64 26.655 -9.049 -4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 64 28.659 -7.408 -3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 64 28.092 -7.318 -5.392 1.00 0.00 H new ATOM 0 HD2 PRO A 64 27.365 -5.515 -3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 64 27.743 -5.049 -4.689 1.00 0.00 H new ATOM 947 N ILE A 65 23.196 -8.303 -4.054 1.00 0.00 N ATOM 948 CA ILE A 65 21.878 -8.466 -3.411 1.00 0.00 C ATOM 949 C ILE A 65 21.916 -8.930 -1.943 1.00 0.00 C ATOM 950 O ILE A 65 21.111 -8.470 -1.135 1.00 0.00 O ATOM 951 CB ILE A 65 20.971 -9.356 -4.295 1.00 0.00 C ATOM 952 CG1 ILE A 65 19.493 -9.138 -3.909 1.00 0.00 C ATOM 953 CG2 ILE A 65 21.376 -10.845 -4.247 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.507 -9.874 -4.816 1.00 0.00 C ATOM 0 H ILE A 65 23.295 -8.831 -4.921 1.00 0.00 H new ATOM 0 HA ILE A 65 21.445 -7.468 -3.341 1.00 0.00 H new ATOM 0 HB ILE A 65 21.105 -9.053 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 65 19.343 -9.467 -2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 65 19.273 -8.071 -3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 65 20.708 -11.425 -4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 65 22.401 -10.955 -4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 65 21.305 -11.208 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.488 -9.674 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.629 -9.528 -5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.700 -10.946 -4.769 1.00 0.00 H new ATOM 966 N GLU A 66 22.891 -9.762 -1.559 1.00 0.00 N ATOM 967 CA GLU A 66 23.014 -10.275 -0.183 1.00 0.00 C ATOM 968 C GLU A 66 23.406 -9.196 0.855 1.00 0.00 C ATOM 969 O GLU A 66 23.315 -9.449 2.059 1.00 0.00 O ATOM 970 CB GLU A 66 23.994 -11.461 -0.144 1.00 0.00 C ATOM 971 CG GLU A 66 23.535 -12.648 -1.002 1.00 0.00 C ATOM 972 CD GLU A 66 24.497 -13.843 -0.835 1.00 0.00 C ATOM 973 OE1 GLU A 66 24.313 -14.659 0.102 1.00 0.00 O ATOM 974 OE2 GLU A 66 25.455 -13.973 -1.639 1.00 0.00 O ATOM 0 H GLU A 66 23.618 -10.100 -2.190 1.00 0.00 H new ATOM 0 HA GLU A 66 22.020 -10.613 0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 66 24.973 -11.128 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.115 -11.791 0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 66 22.526 -12.943 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 66 23.493 -12.351 -2.050 1.00 0.00 H new ATOM 981 N ASN A 67 23.798 -7.985 0.425 1.00 0.00 N ATOM 982 CA ASN A 67 24.002 -6.838 1.322 1.00 0.00 C ATOM 983 C ASN A 67 22.668 -6.221 1.816 1.00 0.00 C ATOM 984 O ASN A 67 22.636 -5.598 2.880 1.00 0.00 O ATOM 985 CB ASN A 67 24.920 -5.791 0.646 1.00 0.00 C ATOM 986 CG ASN A 67 24.151 -4.595 0.097 1.00 0.00 C ATOM 987 OD1 ASN A 67 24.023 -3.558 0.737 1.00 0.00 O ATOM 988 ND2 ASN A 67 23.540 -4.731 -1.052 1.00 0.00 N ATOM 0 H ASN A 67 23.982 -7.775 -0.556 1.00 0.00 H new ATOM 0 HA ASN A 67 24.503 -7.201 2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 67 25.658 -5.442 1.368 1.00 0.00 H new ATOM 0 HB3 ASN A 67 25.469 -6.267 -0.166 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.959 -3.975 -1.413 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.645 -5.593 -1.587 1.00 0.00 H new ATOM 995 N PHE A 68 21.580 -6.386 1.055 1.00 0.00 N ATOM 996 CA PHE A 68 20.267 -5.788 1.328 1.00 0.00 C ATOM 997 C PHE A 68 19.354 -6.719 2.161 1.00 0.00 C ATOM 998 O PHE A 68 19.624 -7.913 2.320 1.00 0.00 O ATOM 999 CB PHE A 68 19.599 -5.371 -0.001 1.00 0.00 C ATOM 1000 CG PHE A 68 20.354 -4.359 -0.848 1.00 0.00 C ATOM 1001 CD1 PHE A 68 20.779 -3.135 -0.295 1.00 0.00 C ATOM 1002 CD2 PHE A 68 20.614 -4.632 -2.207 1.00 0.00 C ATOM 1003 CE1 PHE A 68 21.480 -2.204 -1.085 1.00 0.00 C ATOM 1004 CE2 PHE A 68 21.312 -3.698 -2.993 1.00 0.00 C ATOM 1005 CZ PHE A 68 21.747 -2.487 -2.434 1.00 0.00 C ATOM 0 H PHE A 68 21.588 -6.955 0.209 1.00 0.00 H new ATOM 0 HA PHE A 68 20.421 -4.899 1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 68 19.441 -6.268 -0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 68 18.615 -4.961 0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 68 20.566 -2.910 0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 68 20.276 -5.560 -2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 68 21.813 -1.272 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 68 21.514 -3.914 -4.032 1.00 0.00 H new ATOM 0 HZ PHE A 68 22.286 -1.774 -3.040 1.00 0.00 H new ATOM 1015 N ASN A 69 18.245 -6.167 2.673 1.00 0.00 N ATOM 1016 CA ASN A 69 17.198 -6.895 3.404 1.00 0.00 C ATOM 1017 C ASN A 69 15.935 -7.072 2.545 1.00 0.00 C ATOM 1018 O ASN A 69 15.269 -6.092 2.220 1.00 0.00 O ATOM 1019 CB ASN A 69 16.909 -6.191 4.751 1.00 0.00 C ATOM 1020 CG ASN A 69 16.857 -4.662 4.721 1.00 0.00 C ATOM 1021 OD1 ASN A 69 17.559 -3.989 5.462 1.00 0.00 O ATOM 1022 ND2 ASN A 69 16.051 -4.052 3.878 1.00 0.00 N ATOM 0 H ASN A 69 18.046 -5.170 2.587 1.00 0.00 H new ATOM 0 HA ASN A 69 17.554 -7.901 3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 69 15.956 -6.558 5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 69 17.675 -6.493 5.466 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.019 -3.033 3.850 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.459 -4.598 3.253 1.00 0.00 H new ATOM 1029 N ALA A 70 15.555 -8.299 2.201 1.00 0.00 N ATOM 1030 CA ALA A 70 14.476 -8.553 1.241 1.00 0.00 C ATOM 1031 C ALA A 70 13.065 -8.234 1.755 1.00 0.00 C ATOM 1032 O ALA A 70 12.139 -8.052 0.967 1.00 0.00 O ATOM 1033 CB ALA A 70 14.551 -10.018 0.846 1.00 0.00 C ATOM 0 H ALA A 70 15.982 -9.146 2.576 1.00 0.00 H new ATOM 0 HA ALA A 70 14.631 -7.879 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.760 -10.243 0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.520 -10.223 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.426 -10.641 1.732 1.00 0.00 H new ATOM 1039 N ASP A 71 12.895 -8.151 3.075 1.00 0.00 N ATOM 1040 CA ASP A 71 11.576 -8.019 3.718 1.00 0.00 C ATOM 1041 C ASP A 71 10.918 -6.661 3.426 1.00 0.00 C ATOM 1042 O ASP A 71 9.694 -6.523 3.424 1.00 0.00 O ATOM 1043 CB ASP A 71 11.746 -8.140 5.237 1.00 0.00 C ATOM 1044 CG ASP A 71 12.254 -9.526 5.663 1.00 0.00 C ATOM 1045 OD1 ASP A 71 11.458 -10.497 5.633 1.00 0.00 O ATOM 1046 OD2 ASP A 71 13.443 -9.646 6.045 1.00 0.00 O ATOM 0 H ASP A 71 13.670 -8.173 3.737 1.00 0.00 H new ATOM 0 HA ASP A 71 10.939 -8.807 3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.445 -7.378 5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.791 -7.941 5.723 1.00 0.00 H new ATOM 1051 N ASP A 72 11.757 -5.658 3.172 1.00 0.00 N ATOM 1052 CA ASP A 72 11.382 -4.280 2.873 1.00 0.00 C ATOM 1053 C ASP A 72 11.045 -4.089 1.380 1.00 0.00 C ATOM 1054 O ASP A 72 10.464 -3.073 1.007 1.00 0.00 O ATOM 1055 CB ASP A 72 12.545 -3.405 3.347 1.00 0.00 C ATOM 1056 CG ASP A 72 12.211 -1.907 3.320 1.00 0.00 C ATOM 1057 OD1 ASP A 72 11.230 -1.478 3.973 1.00 0.00 O ATOM 1058 OD2 ASP A 72 12.967 -1.136 2.685 1.00 0.00 O ATOM 0 H ASP A 72 12.768 -5.793 3.169 1.00 0.00 H new ATOM 0 HA ASP A 72 10.467 -3.995 3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.821 -3.693 4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.414 -3.590 2.716 1.00 0.00 H new ATOM 1063 N TYR A 73 11.347 -5.095 0.546 1.00 0.00 N ATOM 1064 CA TYR A 73 10.983 -5.194 -0.866 1.00 0.00 C ATOM 1065 C TYR A 73 9.889 -6.248 -1.019 1.00 0.00 C ATOM 1066 O TYR A 73 10.150 -7.395 -1.375 1.00 0.00 O ATOM 1067 CB TYR A 73 12.215 -5.512 -1.724 1.00 0.00 C ATOM 1068 CG TYR A 73 13.331 -4.522 -1.514 1.00 0.00 C ATOM 1069 CD1 TYR A 73 13.353 -3.313 -2.225 1.00 0.00 C ATOM 1070 CD2 TYR A 73 14.302 -4.783 -0.536 1.00 0.00 C ATOM 1071 CE1 TYR A 73 14.362 -2.368 -1.963 1.00 0.00 C ATOM 1072 CE2 TYR A 73 15.301 -3.838 -0.250 1.00 0.00 C ATOM 1073 CZ TYR A 73 15.333 -2.617 -0.965 1.00 0.00 C ATOM 1074 OH TYR A 73 16.291 -1.683 -0.711 1.00 0.00 O ATOM 0 H TYR A 73 11.882 -5.904 0.861 1.00 0.00 H new ATOM 0 HA TYR A 73 10.597 -4.238 -1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.572 -6.514 -1.486 1.00 0.00 H new ATOM 0 HB3 TYR A 73 11.930 -5.517 -2.776 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.599 -3.108 -2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 73 14.281 -5.719 0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.395 -1.448 -2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 73 16.040 -4.042 0.511 1.00 0.00 H new ATOM 0 HH TYR A 73 16.881 -2.005 0.002 1.00 0.00 H new ATOM 1084 N ASP A 74 8.645 -5.867 -0.712 1.00 0.00 N ATOM 1085 CA ASP A 74 7.504 -6.796 -0.720 1.00 0.00 C ATOM 1086 C ASP A 74 7.161 -7.324 -2.128 1.00 0.00 C ATOM 1087 O ASP A 74 6.414 -8.292 -2.269 1.00 0.00 O ATOM 1088 CB ASP A 74 6.296 -6.112 -0.070 1.00 0.00 C ATOM 1089 CG ASP A 74 5.232 -7.101 0.454 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.584 -8.213 0.923 1.00 0.00 O ATOM 1091 OD2 ASP A 74 4.037 -6.717 0.477 1.00 0.00 O ATOM 0 H ASP A 74 8.398 -4.912 -0.452 1.00 0.00 H new ATOM 0 HA ASP A 74 7.785 -7.676 -0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.642 -5.492 0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.833 -5.445 -0.797 1.00 0.00 H new ATOM 1096 N VAL A 75 7.730 -6.715 -3.176 1.00 0.00 N ATOM 1097 CA VAL A 75 7.661 -7.172 -4.567 1.00 0.00 C ATOM 1098 C VAL A 75 9.080 -7.204 -5.159 1.00 0.00 C ATOM 1099 O VAL A 75 9.829 -6.234 -5.047 1.00 0.00 O ATOM 1100 CB VAL A 75 6.681 -6.285 -5.366 1.00 0.00 C ATOM 1101 CG1 VAL A 75 6.674 -6.653 -6.854 1.00 0.00 C ATOM 1102 CG2 VAL A 75 5.252 -6.435 -4.828 1.00 0.00 C ATOM 0 H VAL A 75 8.272 -5.857 -3.073 1.00 0.00 H new ATOM 0 HA VAL A 75 7.268 -8.187 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 75 7.021 -5.256 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.973 -6.009 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.674 -6.519 -7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.370 -7.693 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.578 -5.802 -5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.937 -7.475 -4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.224 -6.135 -3.780 1.00 0.00 H new ATOM 1112 N VAL A 76 9.472 -8.309 -5.799 1.00 0.00 N ATOM 1113 CA VAL A 76 10.821 -8.490 -6.381 1.00 0.00 C ATOM 1114 C VAL A 76 10.696 -9.068 -7.786 1.00 0.00 C ATOM 1115 O VAL A 76 10.011 -10.066 -7.980 1.00 0.00 O ATOM 1116 CB VAL A 76 11.703 -9.387 -5.488 1.00 0.00 C ATOM 1117 CG1 VAL A 76 13.030 -9.757 -6.165 1.00 0.00 C ATOM 1118 CG2 VAL A 76 12.058 -8.702 -4.160 1.00 0.00 C ATOM 0 H VAL A 76 8.862 -9.115 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 76 11.310 -7.518 -6.439 1.00 0.00 H new ATOM 0 HB VAL A 76 11.107 -10.282 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.615 -10.389 -5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.828 -10.296 -7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.590 -8.849 -6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.680 -9.368 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.603 -7.780 -4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.143 -8.471 -3.614 1.00 0.00 H new ATOM 1128 N ILE A 77 11.346 -8.448 -8.773 1.00 0.00 N ATOM 1129 CA ILE A 77 11.173 -8.757 -10.200 1.00 0.00 C ATOM 1130 C ILE A 77 12.536 -8.991 -10.856 1.00 0.00 C ATOM 1131 O ILE A 77 13.400 -8.119 -10.830 1.00 0.00 O ATOM 1132 CB ILE A 77 10.394 -7.625 -10.907 1.00 0.00 C ATOM 1133 CG1 ILE A 77 9.078 -7.215 -10.203 1.00 0.00 C ATOM 1134 CG2 ILE A 77 10.122 -8.011 -12.369 1.00 0.00 C ATOM 1135 CD1 ILE A 77 8.006 -8.301 -10.133 1.00 0.00 C ATOM 0 H ILE A 77 12.021 -7.702 -8.603 1.00 0.00 H new ATOM 0 HA ILE A 77 10.589 -9.672 -10.298 1.00 0.00 H new ATOM 0 HB ILE A 77 11.035 -6.745 -10.859 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.313 -6.895 -9.188 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.662 -6.351 -10.722 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.573 -7.208 -12.861 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.069 -8.172 -12.885 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.532 -8.927 -12.400 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.126 -7.911 -9.621 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.732 -8.608 -11.143 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.394 -9.160 -9.585 1.00 0.00 H new ATOM 1147 N SER A 78 12.741 -10.162 -11.448 1.00 0.00 N ATOM 1148 CA SER A 78 13.998 -10.565 -12.084 1.00 0.00 C ATOM 1149 C SER A 78 13.986 -10.329 -13.598 1.00 0.00 C ATOM 1150 O SER A 78 12.939 -10.406 -14.236 1.00 0.00 O ATOM 1151 CB SER A 78 14.293 -12.020 -11.710 1.00 0.00 C ATOM 1152 OG SER A 78 15.436 -12.489 -12.390 1.00 0.00 O ATOM 0 H SER A 78 12.019 -10.881 -11.502 1.00 0.00 H new ATOM 0 HA SER A 78 14.808 -9.938 -11.711 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.446 -12.100 -10.634 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.435 -12.645 -11.957 1.00 0.00 H new ATOM 0 HG SER A 78 15.163 -13.094 -13.111 1.00 0.00 H new ATOM 1158 N LEU A 79 15.154 -10.059 -14.191 1.00 0.00 N ATOM 1159 CA LEU A 79 15.359 -9.976 -15.649 1.00 0.00 C ATOM 1160 C LEU A 79 16.505 -10.899 -16.111 1.00 0.00 C ATOM 1161 O LEU A 79 17.279 -10.551 -17.002 1.00 0.00 O ATOM 1162 CB LEU A 79 15.539 -8.511 -16.106 1.00 0.00 C ATOM 1163 CG LEU A 79 14.324 -7.594 -15.856 1.00 0.00 C ATOM 1164 CD1 LEU A 79 14.456 -6.812 -14.553 1.00 0.00 C ATOM 1165 CD2 LEU A 79 14.197 -6.563 -16.978 1.00 0.00 C ATOM 0 H LEU A 79 16.008 -9.887 -13.660 1.00 0.00 H new ATOM 0 HA LEU A 79 14.458 -10.343 -16.141 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.404 -8.090 -15.593 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.766 -8.504 -17.172 1.00 0.00 H new ATOM 0 HG LEU A 79 13.452 -8.247 -15.810 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.579 -6.180 -14.418 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.534 -7.508 -13.718 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.350 -6.189 -14.591 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.335 -5.923 -16.788 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.100 -5.954 -17.016 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.065 -7.076 -17.930 1.00 0.00 H new ATOM 1177 N CYS A 80 16.654 -12.060 -15.472 1.00 0.00 N ATOM 1178 CA CYS A 80 17.757 -12.991 -15.721 1.00 0.00 C ATOM 1179 C CYS A 80 17.488 -13.938 -16.901 1.00 0.00 C ATOM 1180 O CYS A 80 18.433 -14.346 -17.582 1.00 0.00 O ATOM 1181 CB CYS A 80 18.037 -13.788 -14.441 1.00 0.00 C ATOM 1182 SG CYS A 80 18.551 -12.667 -13.107 1.00 0.00 S ATOM 0 H CYS A 80 16.003 -12.385 -14.757 1.00 0.00 H new ATOM 0 HA CYS A 80 18.632 -12.404 -15.999 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.144 -14.336 -14.142 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.817 -14.527 -14.627 1.00 0.00 H new ATOM 0 HG CYS A 80 17.504 -12.271 -12.445 1.00 0.00 H new ATOM 1188 N GLY A 81 16.220 -14.283 -17.158 1.00 0.00 N ATOM 1189 CA GLY A 81 15.836 -15.295 -18.146 1.00 0.00 C ATOM 1190 C GLY A 81 16.054 -16.719 -17.623 1.00 0.00 C ATOM 1191 O GLY A 81 16.840 -17.479 -18.192 1.00 0.00 O ATOM 0 H GLY A 81 15.424 -13.862 -16.679 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.787 -15.163 -18.412 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.416 -15.151 -19.057 1.00 0.00 H new ATOM 1195 N CYS A 82 15.348 -17.055 -16.535 1.00 0.00 N ATOM 1196 CA CYS A 82 15.503 -18.260 -15.705 1.00 0.00 C ATOM 1197 C CYS A 82 16.890 -18.377 -15.026 1.00 0.00 C ATOM 1198 O CYS A 82 17.819 -17.611 -15.296 1.00 0.00 O ATOM 1199 CB CYS A 82 15.082 -19.514 -16.500 1.00 0.00 C ATOM 1200 SG CYS A 82 13.340 -19.384 -17.010 1.00 0.00 S ATOM 0 H CYS A 82 14.603 -16.452 -16.187 1.00 0.00 H new ATOM 0 HA CYS A 82 14.821 -18.169 -14.860 1.00 0.00 H new ATOM 0 HB2 CYS A 82 15.718 -19.626 -17.378 1.00 0.00 H new ATOM 0 HB3 CYS A 82 15.223 -20.405 -15.888 1.00 0.00 H new ATOM 0 HG CYS A 82 13.003 -20.446 -17.680 1.00 0.00 H new ATOM 1206 N GLY A 83 17.021 -19.319 -14.081 1.00 0.00 N ATOM 1207 CA GLY A 83 18.281 -19.600 -13.376 1.00 0.00 C ATOM 1208 C GLY A 83 18.754 -18.484 -12.434 1.00 0.00 C ATOM 1209 O GLY A 83 19.959 -18.290 -12.266 1.00 0.00 O ATOM 0 H GLY A 83 16.248 -19.913 -13.781 1.00 0.00 H new ATOM 0 HA2 GLY A 83 18.161 -20.517 -12.799 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.060 -19.787 -14.115 1.00 0.00 H new ATOM 1213 N VAL A 84 17.827 -17.712 -11.853 1.00 0.00 N ATOM 1214 CA VAL A 84 18.127 -16.620 -10.905 1.00 0.00 C ATOM 1215 C VAL A 84 18.373 -17.190 -9.495 1.00 0.00 C ATOM 1216 O VAL A 84 17.449 -17.624 -8.806 1.00 0.00 O ATOM 1217 CB VAL A 84 17.063 -15.497 -10.998 1.00 0.00 C ATOM 1218 CG1 VAL A 84 15.627 -15.887 -10.622 1.00 0.00 C ATOM 1219 CG2 VAL A 84 17.474 -14.269 -10.181 1.00 0.00 C ATOM 0 H VAL A 84 16.829 -17.827 -12.028 1.00 0.00 H new ATOM 0 HA VAL A 84 19.061 -16.128 -11.178 1.00 0.00 H new ATOM 0 HB VAL A 84 17.038 -15.272 -12.064 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.975 -15.020 -10.726 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.281 -16.682 -11.282 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.603 -16.237 -9.590 1.00 0.00 H new ATOM 0 HG21 VAL A 84 16.706 -13.500 -10.268 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.589 -14.550 -9.134 1.00 0.00 H new ATOM 0 HG23 VAL A 84 18.420 -13.881 -10.558 1.00 0.00 H new ATOM 1229 N ASN A 85 19.643 -17.236 -9.071 1.00 0.00 N ATOM 1230 CA ASN A 85 20.060 -17.836 -7.796 1.00 0.00 C ATOM 1231 C ASN A 85 19.845 -16.843 -6.634 1.00 0.00 C ATOM 1232 O ASN A 85 20.458 -15.774 -6.616 1.00 0.00 O ATOM 1233 CB ASN A 85 21.526 -18.299 -7.925 1.00 0.00 C ATOM 1234 CG ASN A 85 22.049 -19.038 -6.697 1.00 0.00 C ATOM 1235 OD1 ASN A 85 21.325 -19.374 -5.770 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.331 -19.328 -6.656 1.00 0.00 N ATOM 0 H ASN A 85 20.419 -16.853 -9.610 1.00 0.00 H new ATOM 0 HA ASN A 85 19.448 -18.708 -7.566 1.00 0.00 H new ATOM 0 HB2 ASN A 85 21.616 -18.950 -8.795 1.00 0.00 H new ATOM 0 HB3 ASN A 85 22.157 -17.430 -8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 85 23.715 -19.830 -5.855 1.00 0.00 H new ATOM 0 HD22 ASN A 85 23.941 -19.051 -7.425 1.00 0.00 H new ATOM 1243 N LEU A 86 18.962 -17.178 -5.684 1.00 0.00 N ATOM 1244 CA LEU A 86 18.498 -16.268 -4.629 1.00 0.00 C ATOM 1245 C LEU A 86 18.298 -16.958 -3.265 1.00 0.00 C ATOM 1246 O LEU A 86 17.742 -18.061 -3.223 1.00 0.00 O ATOM 1247 CB LEU A 86 17.140 -15.665 -5.043 1.00 0.00 C ATOM 1248 CG LEU A 86 17.177 -14.640 -6.184 1.00 0.00 C ATOM 1249 CD1 LEU A 86 15.749 -14.233 -6.539 1.00 0.00 C ATOM 1250 CD2 LEU A 86 17.942 -13.373 -5.802 1.00 0.00 C ATOM 0 H LEU A 86 18.543 -18.106 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 86 19.274 -15.512 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 86 16.477 -16.480 -5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 86 16.695 -15.190 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 86 17.684 -15.112 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.769 -13.504 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.188 -15.112 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.269 -13.791 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.940 -12.679 -6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.463 -12.904 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 86 18.970 -13.631 -5.548 1.00 0.00 H new ATOM 1262 N PRO A 87 18.679 -16.303 -2.149 1.00 0.00 N ATOM 1263 CA PRO A 87 18.311 -16.756 -0.807 1.00 0.00 C ATOM 1264 C PRO A 87 16.773 -16.709 -0.630 1.00 0.00 C ATOM 1265 O PRO A 87 16.123 -15.888 -1.286 1.00 0.00 O ATOM 1266 CB PRO A 87 19.029 -15.809 0.169 1.00 0.00 C ATOM 1267 CG PRO A 87 20.192 -15.253 -0.651 1.00 0.00 C ATOM 1268 CD PRO A 87 19.628 -15.201 -2.070 1.00 0.00 C ATOM 0 HA PRO A 87 18.608 -17.789 -0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 87 18.368 -15.015 0.515 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.381 -16.339 1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 87 20.495 -14.266 -0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.070 -15.896 -0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 87 19.139 -14.246 -2.264 1.00 0.00 H new ATOM 0 HD3 PRO A 87 20.419 -15.310 -2.812 1.00 0.00 H new ATOM 1276 N PRO A 88 16.164 -17.515 0.264 1.00 0.00 N ATOM 1277 CA PRO A 88 14.704 -17.652 0.338 1.00 0.00 C ATOM 1278 C PRO A 88 13.950 -16.342 0.596 1.00 0.00 C ATOM 1279 O PRO A 88 12.866 -16.122 0.054 1.00 0.00 O ATOM 1280 CB PRO A 88 14.443 -18.670 1.455 1.00 0.00 C ATOM 1281 CG PRO A 88 15.713 -19.516 1.466 1.00 0.00 C ATOM 1282 CD PRO A 88 16.803 -18.505 1.121 1.00 0.00 C ATOM 0 HA PRO A 88 14.324 -17.977 -0.630 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.278 -18.180 2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 88 13.559 -19.274 1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 88 15.883 -19.976 2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 88 15.666 -20.324 0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 88 17.207 -18.042 2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 88 17.636 -18.987 0.609 1.00 0.00 H new ATOM 1290 N GLU A 89 14.552 -15.418 1.352 1.00 0.00 N ATOM 1291 CA GLU A 89 13.946 -14.111 1.639 1.00 0.00 C ATOM 1292 C GLU A 89 13.695 -13.258 0.379 1.00 0.00 C ATOM 1293 O GLU A 89 12.786 -12.430 0.385 1.00 0.00 O ATOM 1294 CB GLU A 89 14.764 -13.368 2.707 1.00 0.00 C ATOM 1295 CG GLU A 89 16.173 -12.932 2.276 1.00 0.00 C ATOM 1296 CD GLU A 89 16.833 -12.053 3.359 1.00 0.00 C ATOM 1297 OE1 GLU A 89 17.469 -12.617 4.285 1.00 0.00 O ATOM 1298 OE2 GLU A 89 16.721 -10.803 3.297 1.00 0.00 O ATOM 0 H GLU A 89 15.468 -15.552 1.781 1.00 0.00 H new ATOM 0 HA GLU A 89 12.951 -14.298 2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.207 -12.483 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.853 -14.010 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.789 -13.812 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.116 -12.379 1.338 1.00 0.00 H new ATOM 1305 N TRP A 90 14.429 -13.493 -0.720 1.00 0.00 N ATOM 1306 CA TRP A 90 14.299 -12.769 -1.997 1.00 0.00 C ATOM 1307 C TRP A 90 13.263 -13.355 -2.976 1.00 0.00 C ATOM 1308 O TRP A 90 13.050 -12.774 -4.043 1.00 0.00 O ATOM 1309 CB TRP A 90 15.683 -12.640 -2.646 1.00 0.00 C ATOM 1310 CG TRP A 90 16.575 -11.666 -1.951 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.611 -11.962 -1.133 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.449 -10.215 -1.925 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.133 -10.794 -0.607 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.423 -9.692 -1.027 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.557 -9.299 -2.523 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 17.476 -8.335 -0.694 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.613 -7.930 -2.207 1.00 0.00 C ATOM 1318 CH2 TRP A 90 16.557 -7.448 -1.282 1.00 0.00 C ATOM 0 H TRP A 90 15.151 -14.213 -0.747 1.00 0.00 H new ATOM 0 HA TRP A 90 13.901 -11.783 -1.757 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.164 -13.618 -2.657 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.562 -12.333 -3.685 1.00 0.00 H new ATOM 0 HD1 TRP A 90 17.975 -12.957 -0.923 1.00 0.00 H new ATOM 0 HE1 TRP A 90 18.942 -10.754 0.013 1.00 0.00 H new ATOM 0 HE3 TRP A 90 14.823 -9.654 -3.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 18.214 -7.973 0.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.926 -7.243 -2.678 1.00 0.00 H new ATOM 0 HH2 TRP A 90 16.576 -6.399 -1.024 1.00 0.00 H new ATOM 1329 N VAL A 91 12.623 -14.483 -2.638 1.00 0.00 N ATOM 1330 CA VAL A 91 11.565 -15.123 -3.454 1.00 0.00 C ATOM 1331 C VAL A 91 10.204 -15.225 -2.754 1.00 0.00 C ATOM 1332 O VAL A 91 9.176 -15.347 -3.420 1.00 0.00 O ATOM 1333 CB VAL A 91 12.000 -16.523 -3.930 1.00 0.00 C ATOM 1334 CG1 VAL A 91 13.156 -16.433 -4.933 1.00 0.00 C ATOM 1335 CG2 VAL A 91 12.428 -17.419 -2.763 1.00 0.00 C ATOM 0 H VAL A 91 12.825 -14.990 -1.776 1.00 0.00 H new ATOM 0 HA VAL A 91 11.432 -14.459 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 91 11.129 -16.966 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.441 -17.436 -5.251 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.841 -15.853 -5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.009 -15.946 -4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.726 -18.396 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.268 -16.961 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.594 -17.539 -2.072 1.00 0.00 H new ATOM 1345 N THR A 92 10.178 -15.178 -1.419 1.00 0.00 N ATOM 1346 CA THR A 92 8.992 -15.397 -0.563 1.00 0.00 C ATOM 1347 C THR A 92 8.018 -14.194 -0.494 1.00 0.00 C ATOM 1348 O THR A 92 6.985 -14.238 0.182 1.00 0.00 O ATOM 1349 CB THR A 92 9.482 -15.868 0.822 1.00 0.00 C ATOM 1350 OG1 THR A 92 8.431 -16.325 1.649 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.255 -14.768 1.544 1.00 0.00 C ATOM 0 H THR A 92 11.017 -14.978 -0.874 1.00 0.00 H new ATOM 0 HA THR A 92 8.377 -16.173 -1.019 1.00 0.00 H new ATOM 0 HB THR A 92 10.147 -16.710 0.630 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.603 -15.856 1.415 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.585 -15.134 2.516 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.123 -14.483 0.949 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.609 -13.901 1.683 1.00 0.00 H new ATOM 1359 N GLN A 93 8.316 -13.119 -1.231 1.00 0.00 N ATOM 1360 CA GLN A 93 7.474 -11.940 -1.474 1.00 0.00 C ATOM 1361 C GLN A 93 6.039 -12.270 -1.925 1.00 0.00 C ATOM 1362 O GLN A 93 5.789 -13.329 -2.504 1.00 0.00 O ATOM 1363 CB GLN A 93 8.148 -11.096 -2.575 1.00 0.00 C ATOM 1364 CG GLN A 93 9.239 -10.169 -2.029 1.00 0.00 C ATOM 1365 CD GLN A 93 10.514 -10.880 -1.583 1.00 0.00 C ATOM 1366 OE1 GLN A 93 10.790 -12.010 -1.960 1.00 0.00 O ATOM 1367 NE2 GLN A 93 11.329 -10.275 -0.749 1.00 0.00 N ATOM 0 H GLN A 93 9.215 -13.043 -1.707 1.00 0.00 H new ATOM 0 HA GLN A 93 7.386 -11.410 -0.525 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.583 -11.761 -3.321 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.391 -10.499 -3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.495 -9.440 -2.797 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.835 -9.612 -1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.117 -9.332 -0.422 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.174 -10.748 -0.428 1.00 0.00 H new ATOM 1376 N GLU A 94 5.101 -11.327 -1.739 1.00 0.00 N ATOM 1377 CA GLU A 94 3.724 -11.501 -2.234 1.00 0.00 C ATOM 1378 C GLU A 94 3.657 -11.640 -3.763 1.00 0.00 C ATOM 1379 O GLU A 94 2.825 -12.394 -4.277 1.00 0.00 O ATOM 1380 CB GLU A 94 2.780 -10.394 -1.733 1.00 0.00 C ATOM 1381 CG GLU A 94 3.058 -8.950 -2.187 1.00 0.00 C ATOM 1382 CD GLU A 94 1.843 -8.021 -1.941 1.00 0.00 C ATOM 1383 OE1 GLU A 94 1.083 -8.213 -0.958 1.00 0.00 O ATOM 1384 OE2 GLU A 94 1.614 -7.095 -2.759 1.00 0.00 O ATOM 0 H GLU A 94 5.267 -10.445 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 94 3.374 -12.444 -1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.767 -10.653 -2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.794 -10.410 -0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.925 -8.562 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.309 -8.945 -3.248 1.00 0.00 H new ATOM 1391 N ILE A 95 4.559 -10.955 -4.483 1.00 0.00 N ATOM 1392 CA ILE A 95 4.729 -11.080 -5.938 1.00 0.00 C ATOM 1393 C ILE A 95 6.211 -11.248 -6.307 1.00 0.00 C ATOM 1394 O ILE A 95 7.054 -10.414 -5.957 1.00 0.00 O ATOM 1395 CB ILE A 95 4.073 -9.890 -6.683 1.00 0.00 C ATOM 1396 CG1 ILE A 95 2.559 -9.805 -6.359 1.00 0.00 C ATOM 1397 CG2 ILE A 95 4.294 -9.996 -8.208 1.00 0.00 C ATOM 1398 CD1 ILE A 95 1.867 -8.551 -6.884 1.00 0.00 C ATOM 0 H ILE A 95 5.203 -10.286 -4.061 1.00 0.00 H new ATOM 0 HA ILE A 95 4.212 -11.983 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 95 4.553 -8.975 -6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.062 -10.680 -6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.429 -9.850 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.823 -9.147 -8.704 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.363 -9.993 -8.422 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.853 -10.922 -8.576 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.812 -8.576 -6.611 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.334 -7.668 -6.447 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.960 -8.511 -7.969 1.00 0.00 H new ATOM 1410 N PHE A 96 6.498 -12.309 -7.068 1.00 0.00 N ATOM 1411 CA PHE A 96 7.781 -12.570 -7.729 1.00 0.00 C ATOM 1412 C PHE A 96 7.549 -13.052 -9.169 1.00 0.00 C ATOM 1413 O PHE A 96 6.664 -13.873 -9.420 1.00 0.00 O ATOM 1414 CB PHE A 96 8.624 -13.584 -6.936 1.00 0.00 C ATOM 1415 CG PHE A 96 10.047 -13.760 -7.457 1.00 0.00 C ATOM 1416 CD1 PHE A 96 10.319 -14.555 -8.593 1.00 0.00 C ATOM 1417 CD2 PHE A 96 11.110 -13.097 -6.816 1.00 0.00 C ATOM 1418 CE1 PHE A 96 11.631 -14.659 -9.090 1.00 0.00 C ATOM 1419 CE2 PHE A 96 12.423 -13.212 -7.303 1.00 0.00 C ATOM 1420 CZ PHE A 96 12.684 -13.986 -8.447 1.00 0.00 C ATOM 0 H PHE A 96 5.812 -13.042 -7.248 1.00 0.00 H new ATOM 0 HA PHE A 96 8.342 -11.636 -7.763 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.668 -13.267 -5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.121 -14.551 -6.954 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.516 -15.086 -9.082 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.915 -12.494 -5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.829 -15.257 -9.967 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.232 -12.705 -6.798 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.691 -14.063 -8.831 1.00 0.00 H new ATOM 1430 N GLU A 97 8.364 -12.573 -10.106 1.00 0.00 N ATOM 1431 CA GLU A 97 8.432 -13.071 -11.491 1.00 0.00 C ATOM 1432 C GLU A 97 9.817 -12.807 -12.100 1.00 0.00 C ATOM 1433 O GLU A 97 10.542 -11.915 -11.658 1.00 0.00 O ATOM 1434 CB GLU A 97 7.297 -12.492 -12.356 1.00 0.00 C ATOM 1435 CG GLU A 97 7.362 -10.976 -12.535 1.00 0.00 C ATOM 1436 CD GLU A 97 6.033 -10.430 -13.066 1.00 0.00 C ATOM 1437 OE1 GLU A 97 5.781 -10.480 -14.291 1.00 0.00 O ATOM 1438 OE2 GLU A 97 5.205 -9.940 -12.268 1.00 0.00 O ATOM 0 H GLU A 97 9.015 -11.808 -9.925 1.00 0.00 H new ATOM 0 HA GLU A 97 8.287 -14.151 -11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.325 -12.965 -13.338 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.340 -12.753 -11.904 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.599 -10.503 -11.582 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.166 -10.722 -13.226 1.00 0.00 H new ATOM 1445 N ASP A 98 10.175 -13.574 -13.130 1.00 0.00 N ATOM 1446 CA ASP A 98 11.372 -13.369 -13.955 1.00 0.00 C ATOM 1447 C ASP A 98 10.981 -13.082 -15.410 1.00 0.00 C ATOM 1448 O ASP A 98 10.059 -13.706 -15.947 1.00 0.00 O ATOM 1449 CB ASP A 98 12.317 -14.579 -13.870 1.00 0.00 C ATOM 1450 CG ASP A 98 13.521 -14.425 -14.809 1.00 0.00 C ATOM 1451 OD1 ASP A 98 14.461 -13.675 -14.463 1.00 0.00 O ATOM 1452 OD2 ASP A 98 13.509 -15.031 -15.904 1.00 0.00 O ATOM 0 H ASP A 98 9.625 -14.381 -13.425 1.00 0.00 H new ATOM 0 HA ASP A 98 11.906 -12.502 -13.566 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.668 -14.696 -12.845 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.770 -15.487 -14.125 1.00 0.00 H new ATOM 1457 N TRP A 99 11.701 -12.162 -16.054 1.00 0.00 N ATOM 1458 CA TRP A 99 11.521 -11.764 -17.452 1.00 0.00 C ATOM 1459 C TRP A 99 12.674 -12.270 -18.334 1.00 0.00 C ATOM 1460 O TRP A 99 13.844 -12.221 -17.961 1.00 0.00 O ATOM 1461 CB TRP A 99 11.293 -10.241 -17.525 1.00 0.00 C ATOM 1462 CG TRP A 99 10.076 -9.738 -16.789 1.00 0.00 C ATOM 1463 CD1 TRP A 99 9.011 -10.505 -16.443 1.00 0.00 C ATOM 1464 CD2 TRP A 99 9.756 -8.388 -16.297 1.00 0.00 C ATOM 1465 NE1 TRP A 99 8.103 -9.763 -15.731 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.491 -8.452 -15.636 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.369 -7.108 -16.353 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 7.874 -7.340 -15.061 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 9.741 -5.970 -15.797 1.00 0.00 C ATOM 1470 CH2 TRP A 99 8.501 -6.088 -15.144 1.00 0.00 C ATOM 0 H TRP A 99 12.457 -11.652 -15.597 1.00 0.00 H new ATOM 0 HA TRP A 99 10.630 -12.240 -17.862 1.00 0.00 H new ATOM 0 HB2 TRP A 99 12.173 -9.738 -17.125 1.00 0.00 H new ATOM 0 HB3 TRP A 99 11.210 -9.952 -18.573 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.895 -11.549 -16.692 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.247 -10.140 -15.324 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.333 -7.002 -16.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 6.924 -7.442 -14.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 10.217 -5.003 -15.874 1.00 0.00 H new ATOM 0 HH2 TRP A 99 8.033 -5.218 -14.708 1.00 0.00 H new ATOM 1481 N GLN A 100 12.334 -12.725 -19.543 1.00 0.00 N ATOM 1482 CA GLN A 100 13.227 -13.413 -20.499 1.00 0.00 C ATOM 1483 C GLN A 100 13.649 -12.362 -21.535 1.00 0.00 C ATOM 1484 O GLN A 100 13.329 -12.418 -22.722 1.00 0.00 O ATOM 1485 CB GLN A 100 12.544 -14.665 -21.089 1.00 0.00 C ATOM 1486 CG GLN A 100 12.259 -15.791 -20.073 1.00 0.00 C ATOM 1487 CD GLN A 100 11.143 -15.455 -19.076 1.00 0.00 C ATOM 1488 OE1 GLN A 100 9.990 -15.264 -19.442 1.00 0.00 O ATOM 1489 NE2 GLN A 100 11.416 -15.340 -17.793 1.00 0.00 N ATOM 0 H GLN A 100 11.386 -12.622 -19.905 1.00 0.00 H new ATOM 0 HA GLN A 100 14.124 -13.807 -20.022 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.603 -14.364 -21.549 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.174 -15.064 -21.884 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.989 -16.697 -20.615 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.173 -16.010 -19.521 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.367 -15.493 -17.458 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.676 -15.098 -17.134 1.00 0.00 H new ATOM 1498 N LEU A 101 14.308 -11.339 -20.992 1.00 0.00 N ATOM 1499 CA LEU A 101 14.635 -10.070 -21.626 1.00 0.00 C ATOM 1500 C LEU A 101 16.132 -9.980 -21.945 1.00 0.00 C ATOM 1501 O LEU A 101 16.967 -10.153 -21.057 1.00 0.00 O ATOM 1502 CB LEU A 101 14.096 -9.051 -20.597 1.00 0.00 C ATOM 1503 CG LEU A 101 14.012 -7.566 -20.939 1.00 0.00 C ATOM 1504 CD1 LEU A 101 15.369 -6.878 -20.795 1.00 0.00 C ATOM 1505 CD2 LEU A 101 13.440 -7.298 -22.326 1.00 0.00 C ATOM 0 H LEU A 101 14.649 -11.382 -20.032 1.00 0.00 H new ATOM 0 HA LEU A 101 14.192 -9.901 -22.608 1.00 0.00 H new ATOM 0 HB2 LEU A 101 13.092 -9.374 -20.322 1.00 0.00 H new ATOM 0 HB3 LEU A 101 14.715 -9.140 -19.704 1.00 0.00 H new ATOM 0 HG LEU A 101 13.317 -7.141 -20.215 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.270 -5.822 -21.047 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.719 -6.975 -19.767 1.00 0.00 H new ATOM 0 HD13 LEU A 101 16.087 -7.346 -21.468 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.408 -6.223 -22.505 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.071 -7.772 -23.078 1.00 0.00 H new ATOM 0 HD23 LEU A 101 12.431 -7.706 -22.389 1.00 0.00 H new ATOM 1517 N GLU A 102 16.485 -9.727 -23.208 1.00 0.00 N ATOM 1518 CA GLU A 102 17.864 -9.756 -23.702 1.00 0.00 C ATOM 1519 C GLU A 102 18.629 -8.464 -23.394 1.00 0.00 C ATOM 1520 O GLU A 102 18.055 -7.404 -23.163 1.00 0.00 O ATOM 1521 CB GLU A 102 17.895 -10.116 -25.200 1.00 0.00 C ATOM 1522 CG GLU A 102 17.302 -9.046 -26.126 1.00 0.00 C ATOM 1523 CD GLU A 102 17.228 -9.561 -27.578 1.00 0.00 C ATOM 1524 OE1 GLU A 102 18.271 -9.597 -28.273 1.00 0.00 O ATOM 1525 OE2 GLU A 102 16.118 -9.937 -28.032 1.00 0.00 O ATOM 0 H GLU A 102 15.805 -9.491 -23.931 1.00 0.00 H new ATOM 0 HA GLU A 102 18.391 -10.541 -23.160 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.928 -10.301 -25.495 1.00 0.00 H new ATOM 0 HB3 GLU A 102 17.350 -11.048 -25.348 1.00 0.00 H new ATOM 0 HG2 GLU A 102 16.305 -8.772 -25.781 1.00 0.00 H new ATOM 0 HG3 GLU A 102 17.913 -8.144 -26.086 1.00 0.00 H new ATOM 1532 N ASP A 103 19.950 -8.570 -23.387 1.00 0.00 N ATOM 1533 CA ASP A 103 20.870 -7.477 -23.066 1.00 0.00 C ATOM 1534 C ASP A 103 21.362 -6.758 -24.339 1.00 0.00 C ATOM 1535 O ASP A 103 21.935 -7.408 -25.220 1.00 0.00 O ATOM 1536 CB ASP A 103 22.034 -8.050 -22.247 1.00 0.00 C ATOM 1537 CG ASP A 103 23.234 -7.091 -22.188 1.00 0.00 C ATOM 1538 OD1 ASP A 103 23.018 -5.874 -21.979 1.00 0.00 O ATOM 1539 OD2 ASP A 103 24.378 -7.573 -22.364 1.00 0.00 O ATOM 0 H ASP A 103 20.430 -9.442 -23.610 1.00 0.00 H new ATOM 0 HA ASP A 103 20.351 -6.722 -22.476 1.00 0.00 H new ATOM 0 HB2 ASP A 103 21.692 -8.263 -21.234 1.00 0.00 H new ATOM 0 HB3 ASP A 103 22.350 -8.998 -22.683 1.00 0.00 H new ATOM 1544 N PRO A 104 21.179 -5.428 -24.461 1.00 0.00 N ATOM 1545 CA PRO A 104 21.647 -4.674 -25.619 1.00 0.00 C ATOM 1546 C PRO A 104 23.138 -4.268 -25.571 1.00 0.00 C ATOM 1547 O PRO A 104 23.650 -3.798 -26.585 1.00 0.00 O ATOM 1548 CB PRO A 104 20.725 -3.454 -25.669 1.00 0.00 C ATOM 1549 CG PRO A 104 20.438 -3.177 -24.197 1.00 0.00 C ATOM 1550 CD PRO A 104 20.350 -4.586 -23.610 1.00 0.00 C ATOM 0 HA PRO A 104 21.600 -5.290 -26.517 1.00 0.00 H new ATOM 0 HB2 PRO A 104 21.207 -2.604 -26.153 1.00 0.00 H new ATOM 0 HB3 PRO A 104 19.811 -3.662 -26.226 1.00 0.00 H new ATOM 0 HG2 PRO A 104 21.231 -2.592 -23.731 1.00 0.00 H new ATOM 0 HG3 PRO A 104 19.510 -2.621 -24.061 1.00 0.00 H new ATOM 0 HD2 PRO A 104 20.706 -4.602 -22.580 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.319 -4.940 -23.597 1.00 0.00 H new ATOM 1558 N ASP A 105 23.866 -4.431 -24.458 1.00 0.00 N ATOM 1559 CA ASP A 105 25.270 -3.991 -24.375 1.00 0.00 C ATOM 1560 C ASP A 105 26.191 -4.756 -25.353 1.00 0.00 C ATOM 1561 O ASP A 105 26.367 -5.974 -25.254 1.00 0.00 O ATOM 1562 CB ASP A 105 25.795 -4.084 -22.935 1.00 0.00 C ATOM 1563 CG ASP A 105 27.288 -3.714 -22.837 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.743 -2.786 -23.548 1.00 0.00 O ATOM 1565 OD2 ASP A 105 28.020 -4.353 -22.043 1.00 0.00 O ATOM 0 H ASP A 105 23.510 -4.862 -23.605 1.00 0.00 H new ATOM 0 HA ASP A 105 25.288 -2.945 -24.680 1.00 0.00 H new ATOM 0 HB2 ASP A 105 25.215 -3.420 -22.294 1.00 0.00 H new ATOM 0 HB3 ASP A 105 25.648 -5.097 -22.561 1.00 0.00 H new ATOM 1570 N GLY A 106 26.789 -4.019 -26.299 1.00 0.00 N ATOM 1571 CA GLY A 106 27.595 -4.554 -27.406 1.00 0.00 C ATOM 1572 C GLY A 106 26.794 -4.907 -28.673 1.00 0.00 C ATOM 1573 O GLY A 106 27.395 -5.239 -29.699 1.00 0.00 O ATOM 0 H GLY A 106 26.723 -3.001 -26.316 1.00 0.00 H new ATOM 0 HA2 GLY A 106 28.359 -3.822 -27.668 1.00 0.00 H new ATOM 0 HA3 GLY A 106 28.115 -5.448 -27.060 1.00 0.00 H new ATOM 1577 N GLN A 107 25.461 -4.803 -28.625 1.00 0.00 N ATOM 1578 CA GLN A 107 24.543 -5.019 -29.750 1.00 0.00 C ATOM 1579 C GLN A 107 24.162 -3.674 -30.415 1.00 0.00 C ATOM 1580 O GLN A 107 24.619 -2.603 -30.004 1.00 0.00 O ATOM 1581 CB GLN A 107 23.322 -5.843 -29.271 1.00 0.00 C ATOM 1582 CG GLN A 107 23.586 -7.335 -28.969 1.00 0.00 C ATOM 1583 CD GLN A 107 24.667 -7.585 -27.916 1.00 0.00 C ATOM 1584 OE1 GLN A 107 25.815 -7.886 -28.221 1.00 0.00 O ATOM 1585 NE2 GLN A 107 24.365 -7.450 -26.646 1.00 0.00 N ATOM 0 H GLN A 107 24.972 -4.556 -27.765 1.00 0.00 H new ATOM 0 HA GLN A 107 25.036 -5.602 -30.528 1.00 0.00 H new ATOM 0 HB2 GLN A 107 22.925 -5.376 -28.370 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.545 -5.779 -30.033 1.00 0.00 H new ATOM 0 HG2 GLN A 107 22.656 -7.795 -28.634 1.00 0.00 H new ATOM 0 HG3 GLN A 107 23.874 -7.835 -29.894 1.00 0.00 H new ATOM 0 HE21 GLN A 107 23.415 -7.200 -26.371 1.00 0.00 H new ATOM 0 HE22 GLN A 107 25.080 -7.595 -25.933 1.00 0.00 H new ATOM 1594 N SER A 108 23.356 -3.721 -31.486 1.00 0.00 N ATOM 1595 CA SER A 108 23.002 -2.533 -32.284 1.00 0.00 C ATOM 1596 C SER A 108 22.119 -1.552 -31.506 1.00 0.00 C ATOM 1597 O SER A 108 21.372 -1.943 -30.611 1.00 0.00 O ATOM 1598 CB SER A 108 22.335 -2.967 -33.599 1.00 0.00 C ATOM 1599 OG SER A 108 21.925 -1.843 -34.362 1.00 0.00 O ATOM 0 H SER A 108 22.930 -4.583 -31.825 1.00 0.00 H new ATOM 0 HA SER A 108 23.923 -1.998 -32.515 1.00 0.00 H new ATOM 0 HB2 SER A 108 23.031 -3.571 -34.181 1.00 0.00 H new ATOM 0 HB3 SER A 108 21.472 -3.597 -33.382 1.00 0.00 H new ATOM 0 HG SER A 108 21.506 -2.148 -35.194 1.00 0.00 H new ATOM 1605 N LEU A 109 22.115 -0.276 -31.901 1.00 0.00 N ATOM 1606 CA LEU A 109 21.171 0.733 -31.389 1.00 0.00 C ATOM 1607 C LEU A 109 19.714 0.352 -31.710 1.00 0.00 C ATOM 1608 O LEU A 109 18.816 0.695 -30.949 1.00 0.00 O ATOM 1609 CB LEU A 109 21.573 2.128 -31.907 1.00 0.00 C ATOM 1610 CG LEU A 109 22.659 2.817 -31.049 1.00 0.00 C ATOM 1611 CD1 LEU A 109 23.952 2.011 -30.902 1.00 0.00 C ATOM 1612 CD2 LEU A 109 23.005 4.171 -31.671 1.00 0.00 C ATOM 0 H LEU A 109 22.770 0.093 -32.590 1.00 0.00 H new ATOM 0 HA LEU A 109 21.226 0.766 -30.301 1.00 0.00 H new ATOM 0 HB2 LEU A 109 21.935 2.036 -32.931 1.00 0.00 H new ATOM 0 HB3 LEU A 109 20.688 2.764 -31.938 1.00 0.00 H new ATOM 0 HG LEU A 109 22.234 2.917 -30.050 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.659 2.567 -30.286 1.00 0.00 H new ATOM 0 HD12 LEU A 109 23.732 1.054 -30.429 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.387 1.838 -31.886 1.00 0.00 H new ATOM 0 HD21 LEU A 109 23.771 4.662 -31.070 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.379 4.021 -32.684 1.00 0.00 H new ATOM 0 HD23 LEU A 109 22.112 4.796 -31.703 1.00 0.00 H new ATOM 1624 N GLU A 110 19.478 -0.459 -32.746 1.00 0.00 N ATOM 1625 CA GLU A 110 18.169 -1.073 -33.017 1.00 0.00 C ATOM 1626 C GLU A 110 17.781 -2.088 -31.920 1.00 0.00 C ATOM 1627 O GLU A 110 16.609 -2.183 -31.556 1.00 0.00 O ATOM 1628 CB GLU A 110 18.212 -1.729 -34.408 1.00 0.00 C ATOM 1629 CG GLU A 110 16.840 -2.233 -34.872 1.00 0.00 C ATOM 1630 CD GLU A 110 16.911 -2.768 -36.316 1.00 0.00 C ATOM 1631 OE1 GLU A 110 17.232 -3.966 -36.511 1.00 0.00 O ATOM 1632 OE2 GLU A 110 16.630 -1.999 -37.269 1.00 0.00 O ATOM 0 H GLU A 110 20.194 -0.711 -33.427 1.00 0.00 H new ATOM 0 HA GLU A 110 17.398 -0.302 -33.006 1.00 0.00 H new ATOM 0 HB2 GLU A 110 18.593 -1.009 -35.132 1.00 0.00 H new ATOM 0 HB3 GLU A 110 18.913 -2.564 -34.389 1.00 0.00 H new ATOM 0 HG2 GLU A 110 16.493 -3.021 -34.204 1.00 0.00 H new ATOM 0 HG3 GLU A 110 16.112 -1.424 -34.815 1.00 0.00 H new ATOM 1639 N VAL A 111 18.751 -2.783 -31.309 1.00 0.00 N ATOM 1640 CA VAL A 111 18.519 -3.678 -30.162 1.00 0.00 C ATOM 1641 C VAL A 111 18.244 -2.864 -28.897 1.00 0.00 C ATOM 1642 O VAL A 111 17.308 -3.199 -28.181 1.00 0.00 O ATOM 1643 CB VAL A 111 19.648 -4.717 -29.977 1.00 0.00 C ATOM 1644 CG1 VAL A 111 19.337 -5.705 -28.844 1.00 0.00 C ATOM 1645 CG2 VAL A 111 19.810 -5.550 -31.256 1.00 0.00 C ATOM 0 H VAL A 111 19.728 -2.741 -31.598 1.00 0.00 H new ATOM 0 HA VAL A 111 17.627 -4.267 -30.374 1.00 0.00 H new ATOM 0 HB VAL A 111 20.552 -4.155 -29.742 1.00 0.00 H new ATOM 0 HG11 VAL A 111 20.156 -6.418 -28.748 1.00 0.00 H new ATOM 0 HG12 VAL A 111 19.219 -5.159 -27.908 1.00 0.00 H new ATOM 0 HG13 VAL A 111 18.415 -6.240 -29.071 1.00 0.00 H new ATOM 0 HG21 VAL A 111 20.608 -6.280 -31.116 1.00 0.00 H new ATOM 0 HG22 VAL A 111 18.877 -6.070 -31.472 1.00 0.00 H new ATOM 0 HG23 VAL A 111 20.061 -4.893 -32.089 1.00 0.00 H new ATOM 1655 N PHE A 112 18.932 -1.737 -28.661 1.00 0.00 N ATOM 1656 CA PHE A 112 18.552 -0.801 -27.580 1.00 0.00 C ATOM 1657 C PHE A 112 17.114 -0.278 -27.772 1.00 0.00 C ATOM 1658 O PHE A 112 16.305 -0.344 -26.847 1.00 0.00 O ATOM 1659 CB PHE A 112 19.557 0.368 -27.484 1.00 0.00 C ATOM 1660 CG PHE A 112 20.882 0.037 -26.819 1.00 0.00 C ATOM 1661 CD1 PHE A 112 21.011 0.134 -25.419 1.00 0.00 C ATOM 1662 CD2 PHE A 112 21.991 -0.362 -27.589 1.00 0.00 C ATOM 1663 CE1 PHE A 112 22.233 -0.176 -24.798 1.00 0.00 C ATOM 1664 CE2 PHE A 112 23.212 -0.670 -26.968 1.00 0.00 C ATOM 1665 CZ PHE A 112 23.334 -0.582 -25.573 1.00 0.00 C ATOM 0 H PHE A 112 19.750 -1.448 -29.198 1.00 0.00 H new ATOM 0 HA PHE A 112 18.582 -1.351 -26.639 1.00 0.00 H new ATOM 0 HB2 PHE A 112 19.757 0.736 -28.490 1.00 0.00 H new ATOM 0 HB3 PHE A 112 19.088 1.184 -26.934 1.00 0.00 H new ATOM 0 HD1 PHE A 112 20.168 0.448 -24.821 1.00 0.00 H new ATOM 0 HD2 PHE A 112 21.902 -0.432 -28.663 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.327 -0.102 -23.725 1.00 0.00 H new ATOM 0 HE2 PHE A 112 24.059 -0.975 -27.565 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.272 -0.826 -25.095 1.00 0.00 H new ATOM 1675 N ARG A 113 16.756 0.163 -28.988 1.00 0.00 N ATOM 1676 CA ARG A 113 15.401 0.656 -29.326 1.00 0.00 C ATOM 1677 C ARG A 113 14.323 -0.440 -29.311 1.00 0.00 C ATOM 1678 O ARG A 113 13.156 -0.132 -29.082 1.00 0.00 O ATOM 1679 CB ARG A 113 15.430 1.397 -30.680 1.00 0.00 C ATOM 1680 CG ARG A 113 16.126 2.766 -30.590 1.00 0.00 C ATOM 1681 CD ARG A 113 16.036 3.537 -31.917 1.00 0.00 C ATOM 1682 NE ARG A 113 16.352 4.975 -31.745 1.00 0.00 N ATOM 1683 CZ ARG A 113 16.783 5.826 -32.660 1.00 0.00 C ATOM 1684 NH1 ARG A 113 17.034 5.470 -33.888 1.00 0.00 N ATOM 1685 NH2 ARG A 113 16.969 7.070 -32.337 1.00 0.00 N ATOM 0 H ARG A 113 17.402 0.190 -29.777 1.00 0.00 H new ATOM 0 HA ARG A 113 15.115 1.353 -28.539 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.944 0.780 -31.417 1.00 0.00 H new ATOM 0 HB3 ARG A 113 14.409 1.535 -31.036 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.669 3.355 -29.795 1.00 0.00 H new ATOM 0 HG3 ARG A 113 17.173 2.625 -30.321 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.725 3.098 -32.639 1.00 0.00 H new ATOM 0 HD3 ARG A 113 15.033 3.433 -32.330 1.00 0.00 H new ATOM 0 HE ARG A 113 16.221 5.354 -30.807 1.00 0.00 H new ATOM 0 HH11 ARG A 113 16.899 4.501 -34.176 1.00 0.00 H new ATOM 0 HH12 ARG A 113 17.365 6.161 -34.562 1.00 0.00 H new ATOM 0 HH21 ARG A 113 16.783 7.383 -31.384 1.00 0.00 H new ATOM 0 HH22 ARG A 113 17.301 7.734 -33.036 1.00 0.00 H new ATOM 1699 N THR A 114 14.709 -1.707 -29.460 1.00 0.00 N ATOM 1700 CA THR A 114 13.828 -2.871 -29.252 1.00 0.00 C ATOM 1701 C THR A 114 13.645 -3.163 -27.763 1.00 0.00 C ATOM 1702 O THR A 114 12.523 -3.149 -27.258 1.00 0.00 O ATOM 1703 CB THR A 114 14.355 -4.116 -29.991 1.00 0.00 C ATOM 1704 OG1 THR A 114 14.439 -3.859 -31.377 1.00 0.00 O ATOM 1705 CG2 THR A 114 13.432 -5.326 -29.836 1.00 0.00 C ATOM 0 H THR A 114 15.657 -1.965 -29.733 1.00 0.00 H new ATOM 0 HA THR A 114 12.854 -2.622 -29.672 1.00 0.00 H new ATOM 0 HB THR A 114 15.328 -4.335 -29.551 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.097 -3.151 -31.539 1.00 0.00 H new ATOM 0 HG21 THR A 114 13.851 -6.175 -30.376 1.00 0.00 H new ATOM 0 HG22 THR A 114 13.338 -5.579 -28.780 1.00 0.00 H new ATOM 0 HG23 THR A 114 12.449 -5.088 -30.241 1.00 0.00 H new ATOM 1713 N VAL A 115 14.743 -3.393 -27.030 1.00 0.00 N ATOM 1714 CA VAL A 115 14.714 -3.858 -25.625 1.00 0.00 C ATOM 1715 C VAL A 115 14.046 -2.838 -24.713 1.00 0.00 C ATOM 1716 O VAL A 115 13.284 -3.241 -23.841 1.00 0.00 O ATOM 1717 CB VAL A 115 16.125 -4.268 -25.133 1.00 0.00 C ATOM 1718 CG1 VAL A 115 16.127 -4.613 -23.641 1.00 0.00 C ATOM 1719 CG2 VAL A 115 16.618 -5.504 -25.894 1.00 0.00 C ATOM 0 H VAL A 115 15.687 -3.262 -27.393 1.00 0.00 H new ATOM 0 HA VAL A 115 14.100 -4.757 -25.584 1.00 0.00 H new ATOM 0 HB VAL A 115 16.779 -3.414 -25.311 1.00 0.00 H new ATOM 0 HG11 VAL A 115 17.134 -4.895 -23.334 1.00 0.00 H new ATOM 0 HG12 VAL A 115 15.803 -3.745 -23.066 1.00 0.00 H new ATOM 0 HG13 VAL A 115 15.446 -5.444 -23.459 1.00 0.00 H new ATOM 0 HG21 VAL A 115 17.610 -5.779 -25.537 1.00 0.00 H new ATOM 0 HG22 VAL A 115 15.930 -6.332 -25.727 1.00 0.00 H new ATOM 0 HG23 VAL A 115 16.665 -5.280 -26.960 1.00 0.00 H new ATOM 1729 N ARG A 116 14.205 -1.535 -24.971 1.00 0.00 N ATOM 1730 CA ARG A 116 13.540 -0.478 -24.178 1.00 0.00 C ATOM 1731 C ARG A 116 12.018 -0.636 -24.130 1.00 0.00 C ATOM 1732 O ARG A 116 11.428 -0.577 -23.064 1.00 0.00 O ATOM 1733 CB ARG A 116 14.005 0.897 -24.695 1.00 0.00 C ATOM 1734 CG ARG A 116 13.266 1.415 -25.930 1.00 0.00 C ATOM 1735 CD ARG A 116 13.875 2.730 -26.421 1.00 0.00 C ATOM 1736 NE ARG A 116 13.150 3.211 -27.615 1.00 0.00 N ATOM 1737 CZ ARG A 116 13.452 4.261 -28.353 1.00 0.00 C ATOM 1738 NH1 ARG A 116 14.473 5.009 -28.071 1.00 0.00 N ATOM 1739 NH2 ARG A 116 12.758 4.570 -29.404 1.00 0.00 N ATOM 0 H ARG A 116 14.791 -1.179 -25.726 1.00 0.00 H new ATOM 0 HA ARG A 116 13.842 -0.571 -23.135 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.892 1.626 -23.892 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.069 0.839 -24.926 1.00 0.00 H new ATOM 0 HG2 ARG A 116 13.311 0.670 -26.724 1.00 0.00 H new ATOM 0 HG3 ARG A 116 12.213 1.564 -25.692 1.00 0.00 H new ATOM 0 HD2 ARG A 116 13.827 3.479 -25.631 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.929 2.585 -26.660 1.00 0.00 H new ATOM 0 HE ARG A 116 12.330 2.675 -27.898 1.00 0.00 H new ATOM 0 HH11 ARG A 116 15.059 4.789 -27.266 1.00 0.00 H new ATOM 0 HH12 ARG A 116 14.690 5.817 -28.654 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.960 3.996 -29.675 1.00 0.00 H new ATOM 0 HH22 ARG A 116 13.010 5.387 -29.960 1.00 0.00 H new ATOM 1753 N GLY A 117 11.396 -0.949 -25.266 1.00 0.00 N ATOM 1754 CA GLY A 117 9.949 -1.167 -25.370 1.00 0.00 C ATOM 1755 C GLY A 117 9.522 -2.493 -24.742 1.00 0.00 C ATOM 1756 O GLY A 117 8.471 -2.568 -24.111 1.00 0.00 O ATOM 0 H GLY A 117 11.887 -1.060 -26.153 1.00 0.00 H new ATOM 0 HA2 GLY A 117 9.423 -0.348 -24.880 1.00 0.00 H new ATOM 0 HA3 GLY A 117 9.655 -1.152 -26.419 1.00 0.00 H new ATOM 1760 N GLN A 118 10.388 -3.515 -24.795 1.00 0.00 N ATOM 1761 CA GLN A 118 10.132 -4.800 -24.133 1.00 0.00 C ATOM 1762 C GLN A 118 10.170 -4.660 -22.610 1.00 0.00 C ATOM 1763 O GLN A 118 9.298 -5.196 -21.930 1.00 0.00 O ATOM 1764 CB GLN A 118 11.115 -5.884 -24.623 1.00 0.00 C ATOM 1765 CG GLN A 118 11.139 -6.148 -26.138 1.00 0.00 C ATOM 1766 CD GLN A 118 9.753 -6.293 -26.757 1.00 0.00 C ATOM 1767 OE1 GLN A 118 9.092 -7.312 -26.615 1.00 0.00 O ATOM 1768 NE2 GLN A 118 9.262 -5.278 -27.440 1.00 0.00 N ATOM 0 H GLN A 118 11.277 -3.475 -25.293 1.00 0.00 H new ATOM 0 HA GLN A 118 9.126 -5.118 -24.406 1.00 0.00 H new ATOM 0 HB2 GLN A 118 12.120 -5.602 -24.309 1.00 0.00 H new ATOM 0 HB3 GLN A 118 10.874 -6.819 -24.117 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.664 -5.331 -26.632 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.710 -7.056 -26.331 1.00 0.00 H new ATOM 0 HE21 GLN A 118 9.814 -4.428 -27.558 1.00 0.00 H new ATOM 0 HE22 GLN A 118 8.330 -5.342 -27.850 1.00 0.00 H new ATOM 1777 N VAL A 119 11.122 -3.887 -22.079 1.00 0.00 N ATOM 1778 CA VAL A 119 11.157 -3.485 -20.657 1.00 0.00 C ATOM 1779 C VAL A 119 9.928 -2.643 -20.317 1.00 0.00 C ATOM 1780 O VAL A 119 9.234 -2.967 -19.362 1.00 0.00 O ATOM 1781 CB VAL A 119 12.453 -2.712 -20.333 1.00 0.00 C ATOM 1782 CG1 VAL A 119 12.484 -2.185 -18.895 1.00 0.00 C ATOM 1783 CG2 VAL A 119 13.681 -3.609 -20.482 1.00 0.00 C ATOM 0 H VAL A 119 11.900 -3.516 -22.624 1.00 0.00 H new ATOM 0 HA VAL A 119 11.143 -4.387 -20.045 1.00 0.00 H new ATOM 0 HB VAL A 119 12.471 -1.881 -21.038 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.418 -1.650 -18.724 1.00 0.00 H new ATOM 0 HG12 VAL A 119 11.644 -1.508 -18.737 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.412 -3.021 -18.199 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.579 -3.038 -20.248 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.599 -4.454 -19.798 1.00 0.00 H new ATOM 0 HG23 VAL A 119 13.741 -3.976 -21.507 1.00 0.00 H new ATOM 1793 N LYS A 120 9.608 -1.618 -21.119 1.00 0.00 N ATOM 1794 CA LYS A 120 8.459 -0.721 -20.898 1.00 0.00 C ATOM 1795 C LYS A 120 7.152 -1.485 -20.760 1.00 0.00 C ATOM 1796 O LYS A 120 6.451 -1.267 -19.789 1.00 0.00 O ATOM 1797 CB LYS A 120 8.395 0.330 -22.026 1.00 0.00 C ATOM 1798 CG LYS A 120 7.319 1.410 -21.794 1.00 0.00 C ATOM 1799 CD LYS A 120 6.014 1.165 -22.575 1.00 0.00 C ATOM 1800 CE LYS A 120 5.042 2.329 -22.324 1.00 0.00 C ATOM 1801 NZ LYS A 120 3.760 2.154 -23.059 1.00 0.00 N ATOM 0 H LYS A 120 10.147 -1.383 -21.953 1.00 0.00 H new ATOM 0 HA LYS A 120 8.605 -0.205 -19.949 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.368 0.811 -22.120 1.00 0.00 H new ATOM 0 HB3 LYS A 120 8.196 -0.174 -22.972 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.091 1.459 -20.729 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.725 2.381 -22.078 1.00 0.00 H new ATOM 0 HD2 LYS A 120 6.226 1.077 -23.641 1.00 0.00 H new ATOM 0 HD3 LYS A 120 5.561 0.224 -22.262 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.839 2.408 -21.256 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.510 3.265 -22.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 3.147 2.977 -22.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.952 2.070 -24.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 3.283 1.292 -22.725 1.00 0.00 H new ATOM 1815 N GLU A 121 6.842 -2.411 -21.666 1.00 0.00 N ATOM 1816 CA GLU A 121 5.565 -3.155 -21.614 1.00 0.00 C ATOM 1817 C GLU A 121 5.516 -4.168 -20.461 1.00 0.00 C ATOM 1818 O GLU A 121 4.448 -4.417 -19.904 1.00 0.00 O ATOM 1819 CB GLU A 121 5.245 -3.794 -22.977 1.00 0.00 C ATOM 1820 CG GLU A 121 6.140 -4.985 -23.339 1.00 0.00 C ATOM 1821 CD GLU A 121 5.843 -5.611 -24.719 1.00 0.00 C ATOM 1822 OE1 GLU A 121 5.154 -4.999 -25.570 1.00 0.00 O ATOM 1823 OE2 GLU A 121 6.323 -6.748 -24.951 1.00 0.00 O ATOM 0 H GLU A 121 7.448 -2.670 -22.445 1.00 0.00 H new ATOM 0 HA GLU A 121 4.777 -2.433 -21.399 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.206 -4.122 -22.977 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.339 -3.034 -23.753 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.181 -4.662 -23.317 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.029 -5.753 -22.574 1.00 0.00 H new ATOM 1830 N ARG A 122 6.672 -4.698 -20.038 1.00 0.00 N ATOM 1831 CA ARG A 122 6.778 -5.580 -18.860 1.00 0.00 C ATOM 1832 C ARG A 122 6.594 -4.794 -17.564 1.00 0.00 C ATOM 1833 O ARG A 122 5.762 -5.164 -16.742 1.00 0.00 O ATOM 1834 CB ARG A 122 8.069 -6.415 -18.946 1.00 0.00 C ATOM 1835 CG ARG A 122 7.915 -7.503 -20.024 1.00 0.00 C ATOM 1836 CD ARG A 122 9.243 -8.083 -20.527 1.00 0.00 C ATOM 1837 NE ARG A 122 9.017 -9.034 -21.643 1.00 0.00 N ATOM 1838 CZ ARG A 122 8.556 -8.766 -22.858 1.00 0.00 C ATOM 1839 NH1 ARG A 122 8.315 -7.553 -23.249 1.00 0.00 N ATOM 1840 NH2 ARG A 122 8.312 -9.708 -23.717 1.00 0.00 N ATOM 0 H ARG A 122 7.564 -4.529 -20.502 1.00 0.00 H new ATOM 0 HA ARG A 122 5.961 -6.301 -18.853 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.915 -5.770 -19.185 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.281 -6.874 -17.980 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.307 -8.313 -19.622 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.370 -7.085 -20.871 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.895 -7.275 -20.859 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.756 -8.590 -19.710 1.00 0.00 H new ATOM 0 HE ARG A 122 9.243 -10.010 -21.454 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.480 -6.771 -22.615 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.961 -7.381 -24.190 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.474 -10.683 -23.465 1.00 0.00 H new ATOM 0 HH22 ARG A 122 7.958 -9.473 -24.644 1.00 0.00 H new ATOM 1854 N VAL A 123 7.254 -3.642 -17.431 1.00 0.00 N ATOM 1855 CA VAL A 123 7.004 -2.666 -16.352 1.00 0.00 C ATOM 1856 C VAL A 123 5.544 -2.194 -16.355 1.00 0.00 C ATOM 1857 O VAL A 123 4.931 -2.140 -15.297 1.00 0.00 O ATOM 1858 CB VAL A 123 7.969 -1.482 -16.514 1.00 0.00 C ATOM 1859 CG1 VAL A 123 7.639 -0.282 -15.634 1.00 0.00 C ATOM 1860 CG2 VAL A 123 9.411 -1.905 -16.194 1.00 0.00 C ATOM 0 H VAL A 123 7.989 -3.350 -18.075 1.00 0.00 H new ATOM 0 HA VAL A 123 7.181 -3.145 -15.389 1.00 0.00 H new ATOM 0 HB VAL A 123 7.859 -1.179 -17.555 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.368 0.509 -15.809 1.00 0.00 H new ATOM 0 HG12 VAL A 123 6.641 0.084 -15.877 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.672 -0.580 -14.586 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.076 -1.050 -16.316 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.465 -2.264 -15.166 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.716 -2.701 -16.873 1.00 0.00 H new ATOM 1870 N GLU A 124 4.945 -1.915 -17.516 1.00 0.00 N ATOM 1871 CA GLU A 124 3.538 -1.537 -17.631 1.00 0.00 C ATOM 1872 C GLU A 124 2.605 -2.641 -17.121 1.00 0.00 C ATOM 1873 O GLU A 124 1.722 -2.356 -16.316 1.00 0.00 O ATOM 1874 CB GLU A 124 3.220 -1.190 -19.097 1.00 0.00 C ATOM 1875 CG GLU A 124 2.169 -0.092 -19.176 1.00 0.00 C ATOM 1876 CD GLU A 124 1.573 0.005 -20.592 1.00 0.00 C ATOM 1877 OE1 GLU A 124 2.310 0.382 -21.538 1.00 0.00 O ATOM 1878 OE2 GLU A 124 0.367 -0.290 -20.771 1.00 0.00 O ATOM 0 H GLU A 124 5.431 -1.946 -18.412 1.00 0.00 H new ATOM 0 HA GLU A 124 3.367 -0.662 -17.003 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.129 -0.867 -19.604 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.863 -2.079 -19.617 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.375 -0.292 -18.457 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.615 0.863 -18.900 1.00 0.00 H new ATOM 1885 N ASN A 125 2.833 -3.906 -17.511 1.00 0.00 N ATOM 1886 CA ASN A 125 2.028 -5.030 -17.013 1.00 0.00 C ATOM 1887 C ASN A 125 2.217 -5.208 -15.497 1.00 0.00 C ATOM 1888 O ASN A 125 1.238 -5.409 -14.777 1.00 0.00 O ATOM 1889 CB ASN A 125 2.254 -6.307 -17.864 1.00 0.00 C ATOM 1890 CG ASN A 125 3.200 -7.372 -17.309 1.00 0.00 C ATOM 1891 OD1 ASN A 125 3.118 -7.813 -16.172 1.00 0.00 O ATOM 1892 ND2 ASN A 125 4.089 -7.895 -18.120 1.00 0.00 N ATOM 0 H ASN A 125 3.566 -4.174 -18.168 1.00 0.00 H new ATOM 0 HA ASN A 125 0.969 -4.804 -17.140 1.00 0.00 H new ATOM 0 HB2 ASN A 125 1.284 -6.775 -18.031 1.00 0.00 H new ATOM 0 HB3 ASN A 125 2.631 -5.998 -18.839 1.00 0.00 H new ATOM 0 HD21 ASN A 125 4.692 -8.652 -17.797 1.00 0.00 H new ATOM 0 HD22 ASN A 125 4.177 -7.545 -19.074 1.00 0.00 H new ATOM 1899 N LEU A 126 3.456 -5.058 -15.013 1.00 0.00 N ATOM 1900 CA LEU A 126 3.796 -5.117 -13.594 1.00 0.00 C ATOM 1901 C LEU A 126 3.014 -4.074 -12.812 1.00 0.00 C ATOM 1902 O LEU A 126 2.360 -4.425 -11.840 1.00 0.00 O ATOM 1903 CB LEU A 126 5.321 -4.964 -13.429 1.00 0.00 C ATOM 1904 CG LEU A 126 5.926 -5.037 -12.012 1.00 0.00 C ATOM 1905 CD1 LEU A 126 5.840 -3.719 -11.243 1.00 0.00 C ATOM 1906 CD2 LEU A 126 5.333 -6.155 -11.157 1.00 0.00 C ATOM 0 H LEU A 126 4.264 -4.889 -15.613 1.00 0.00 H new ATOM 0 HA LEU A 126 3.512 -6.086 -13.183 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.797 -5.737 -14.032 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.605 -4.004 -13.860 1.00 0.00 H new ATOM 0 HG LEU A 126 6.977 -5.260 -12.193 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.284 -3.844 -10.256 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.379 -2.944 -11.788 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.795 -3.427 -11.136 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.803 -6.149 -10.174 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.260 -5.999 -11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.512 -7.116 -11.639 1.00 0.00 H new ATOM 1918 N ILE A 127 3.035 -2.812 -13.242 1.00 0.00 N ATOM 1919 CA ILE A 127 2.341 -1.764 -12.487 1.00 0.00 C ATOM 1920 C ILE A 127 0.817 -1.926 -12.606 1.00 0.00 C ATOM 1921 O ILE A 127 0.117 -1.906 -11.593 1.00 0.00 O ATOM 1922 CB ILE A 127 2.831 -0.380 -12.947 1.00 0.00 C ATOM 1923 CG1 ILE A 127 4.338 -0.204 -12.638 1.00 0.00 C ATOM 1924 CG2 ILE A 127 2.044 0.760 -12.279 1.00 0.00 C ATOM 1925 CD1 ILE A 127 5.026 0.768 -13.595 1.00 0.00 C ATOM 0 H ILE A 127 3.511 -2.494 -14.086 1.00 0.00 H new ATOM 0 HA ILE A 127 2.578 -1.858 -11.427 1.00 0.00 H new ATOM 0 HB ILE A 127 2.666 -0.329 -14.023 1.00 0.00 H new ATOM 0 HG12 ILE A 127 4.456 0.155 -11.615 1.00 0.00 H new ATOM 0 HG13 ILE A 127 4.832 -1.174 -12.694 1.00 0.00 H new ATOM 0 HG21 ILE A 127 2.423 1.719 -12.632 1.00 0.00 H new ATOM 0 HG22 ILE A 127 0.988 0.671 -12.533 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.163 0.699 -11.197 1.00 0.00 H new ATOM 0 HD11 ILE A 127 6.080 0.853 -13.332 1.00 0.00 H new ATOM 0 HD12 ILE A 127 4.936 0.398 -14.616 1.00 0.00 H new ATOM 0 HD13 ILE A 127 4.554 1.747 -13.521 1.00 0.00 H new ATOM 1937 N ALA A 128 0.294 -2.166 -13.814 1.00 0.00 N ATOM 1938 CA ALA A 128 -1.150 -2.235 -14.068 1.00 0.00 C ATOM 1939 C ALA A 128 -1.871 -3.367 -13.304 1.00 0.00 C ATOM 1940 O ALA A 128 -3.064 -3.242 -13.014 1.00 0.00 O ATOM 1941 CB ALA A 128 -1.375 -2.365 -15.580 1.00 0.00 C ATOM 0 H ALA A 128 0.863 -2.319 -14.647 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.592 -1.314 -13.688 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.444 -2.418 -15.786 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.950 -1.499 -16.087 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.891 -3.271 -15.943 1.00 0.00 H new ATOM 1947 N LYS A 129 -1.157 -4.448 -12.951 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.696 -5.571 -12.163 1.00 0.00 C ATOM 1949 C LYS A 129 -1.519 -5.437 -10.640 1.00 0.00 C ATOM 1950 O LYS A 129 -2.085 -6.256 -9.914 1.00 0.00 O ATOM 1951 CB LYS A 129 -1.179 -6.909 -12.729 1.00 0.00 C ATOM 1952 CG LYS A 129 0.254 -7.253 -12.307 1.00 0.00 C ATOM 1953 CD LYS A 129 0.843 -8.340 -13.212 1.00 0.00 C ATOM 1954 CE LYS A 129 2.285 -8.642 -12.789 1.00 0.00 C ATOM 1955 NZ LYS A 129 3.004 -9.419 -13.832 1.00 0.00 N ATOM 0 H LYS A 129 -0.177 -4.569 -13.207 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.779 -5.546 -12.280 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -1.844 -7.710 -12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.228 -6.874 -13.817 1.00 0.00 H new ATOM 0 HG2 LYS A 129 0.876 -6.359 -12.353 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.261 -7.593 -11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.239 -9.245 -13.149 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.820 -8.013 -14.251 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.814 -7.708 -12.600 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.282 -9.202 -11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 3.987 -9.578 -13.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 2.531 -10.335 -13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.998 -8.888 -14.726 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.773 -4.433 -10.145 1.00 0.00 N ATOM 1970 CA ILE A 130 -0.508 -4.254 -8.696 1.00 0.00 C ATOM 1971 C ILE A 130 -0.954 -2.900 -8.112 1.00 0.00 C ATOM 1972 O ILE A 130 -1.080 -2.794 -6.887 1.00 0.00 O ATOM 1973 CB ILE A 130 0.962 -4.567 -8.330 1.00 0.00 C ATOM 1974 CG1 ILE A 130 1.938 -3.431 -8.703 1.00 0.00 C ATOM 1975 CG2 ILE A 130 1.379 -5.926 -8.915 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.414 -3.744 -8.415 1.00 0.00 C ATOM 0 H ILE A 130 -0.336 -3.722 -10.732 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.149 -4.993 -8.216 1.00 0.00 H new ATOM 0 HB ILE A 130 1.021 -4.636 -7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.827 -3.206 -9.764 1.00 0.00 H new ATOM 0 HG13 ILE A 130 1.656 -2.532 -8.156 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.416 -6.134 -8.650 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.737 -6.709 -8.510 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.280 -5.901 -10.000 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.030 -2.893 -8.707 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.544 -3.938 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 130 3.717 -4.623 -8.984 1.00 0.00 H new ATOM 1988 N SER A 131 -1.210 -1.895 -8.957 1.00 0.00 N ATOM 1989 CA SER A 131 -1.560 -0.515 -8.577 1.00 0.00 C ATOM 1990 C SER A 131 -2.955 -0.099 -9.065 1.00 0.00 C ATOM 1991 O SER A 131 -3.201 -0.089 -10.293 1.00 0.00 O ATOM 1992 CB SER A 131 -0.502 0.448 -9.114 1.00 0.00 C ATOM 1993 OG SER A 131 0.765 0.131 -8.558 1.00 0.00 O ATOM 1994 OXT SER A 131 -3.812 0.219 -8.206 1.00 0.00 O ATOM 0 H SER A 131 -1.178 -2.023 -9.968 1.00 0.00 H new ATOM 0 HA SER A 131 -1.585 -0.473 -7.488 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.458 0.385 -10.201 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.772 1.474 -8.865 1.00 0.00 H new ATOM 0 HG SER A 131 1.044 0.847 -7.950 1.00 0.00 H new TER 2000 SER A 131