USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 620 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 89 ASN : amide:sc= 0.707 K(o=1.3,f=0.1) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.637 USER MOD Set 2.1: A 41 SER OG : rot 28:sc= 1.22 USER MOD Set 2.2: A 62 ASN : amide:sc= 0.144 X(o=1.4,f=1) USER MOD Set 3.1: A 27 LYS NZ :NH3+ -141:sc= 1.31 (180deg=0.819) USER MOD Set 3.2: A 104 ASN : amide:sc= -0.867! X(o=0.44!,f=0.37) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -177:sc= -0.721 (180deg=-0.757) USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= 0.899 (180deg=0.559) USER MOD Single : A 35 ASN : amide:sc= -0.965 K(o=-0.96,f=-1.6) USER MOD Single : A 40 CYS SG : rot -140:sc= 1.1 USER MOD Single : A 43 GLN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= 1.84 (180deg=1.82) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.126 F(o=-1.4,f=-0.13) USER MOD Single : A 53 SER OG : rot 82:sc= 0.186 USER MOD Single : A 56 THR OG1 : rot -130:sc= -0.522 USER MOD Single : A 57 THR OG1 : rot -140:sc= -0.084 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0855 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -67:sc= 1.24 USER MOD Single : A 69 THR OG1 : rot 21:sc= 0.0919 USER MOD Single : A 76 SER OG : rot -153:sc= 0.141 USER MOD Single : A 88 ASN : amide:sc= 0.708 K(o=0.71,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 25 8.158 14.026 6.594 1.00 0.00 N ATOM 2 CA PRO A 25 8.871 15.296 6.317 1.00 0.00 C ATOM 3 C PRO A 25 7.918 16.457 5.980 1.00 0.00 C ATOM 4 O PRO A 25 7.304 17.008 6.891 1.00 0.00 O ATOM 5 CB PRO A 25 9.953 14.969 5.287 1.00 0.00 C ATOM 6 CG PRO A 25 10.397 13.576 5.740 1.00 0.00 C ATOM 7 CD PRO A 25 9.144 12.945 6.358 1.00 0.00 C ATOM 0 HA PRO A 25 9.364 15.694 7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.562 14.964 4.269 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.772 15.688 5.310 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.764 12.986 4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.208 13.636 6.466 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.729 12.189 5.691 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.391 12.443 7.294 1.00 0.00 H new ATOM 15 N ALA A 26 7.731 16.796 4.690 1.00 0.00 N ATOM 16 CA ALA A 26 6.691 17.727 4.220 1.00 0.00 C ATOM 17 C ALA A 26 5.284 17.285 4.680 1.00 0.00 C ATOM 18 O ALA A 26 4.461 18.093 5.114 1.00 0.00 O ATOM 19 CB ALA A 26 6.794 17.780 2.689 1.00 0.00 C ATOM 0 H ALA A 26 8.308 16.424 3.935 1.00 0.00 H new ATOM 0 HA ALA A 26 6.845 18.718 4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.039 18.461 2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.785 18.133 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.632 16.783 2.279 1.00 0.00 H new ATOM 25 N LYS A 27 5.072 15.966 4.644 1.00 0.00 N ATOM 26 CA LYS A 27 3.983 15.203 5.249 1.00 0.00 C ATOM 27 C LYS A 27 4.586 13.978 5.910 1.00 0.00 C ATOM 28 O LYS A 27 5.633 13.477 5.494 1.00 0.00 O ATOM 29 CB LYS A 27 2.971 14.713 4.199 1.00 0.00 C ATOM 30 CG LYS A 27 1.508 14.962 4.587 1.00 0.00 C ATOM 31 CD LYS A 27 1.041 14.042 5.727 1.00 0.00 C ATOM 32 CE LYS A 27 -0.475 13.901 5.855 1.00 0.00 C ATOM 33 NZ LYS A 27 -1.153 15.204 6.057 1.00 0.00 N ATOM 0 H LYS A 27 5.717 15.353 4.146 1.00 0.00 H new ATOM 0 HA LYS A 27 3.464 15.849 5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.176 15.210 3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.118 13.645 4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.387 16.002 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.872 14.808 3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.473 13.052 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.437 14.423 6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.869 13.426 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.706 13.242 6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.928 15.090 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.469 15.898 6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.538 15.539 5.151 1.00 0.00 H new ATOM 47 N ARG A 28 3.891 13.463 6.911 1.00 0.00 N ATOM 48 CA ARG A 28 4.115 12.158 7.478 1.00 0.00 C ATOM 49 C ARG A 28 2.788 11.426 7.593 1.00 0.00 C ATOM 50 O ARG A 28 1.841 11.917 8.211 1.00 0.00 O ATOM 51 CB ARG A 28 4.777 12.363 8.841 1.00 0.00 C ATOM 52 CG ARG A 28 6.211 11.845 8.862 1.00 0.00 C ATOM 53 CD ARG A 28 6.421 10.822 9.977 1.00 0.00 C ATOM 54 NE ARG A 28 5.765 9.527 9.684 1.00 0.00 N ATOM 55 CZ ARG A 28 4.572 9.093 10.059 1.00 0.00 C ATOM 56 NH1 ARG A 28 3.761 9.730 10.852 1.00 0.00 N ATOM 57 NH2 ARG A 28 4.100 7.970 9.630 1.00 0.00 N ATOM 0 H ARG A 28 3.128 13.967 7.363 1.00 0.00 H new ATOM 0 HA ARG A 28 4.766 11.548 6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.771 13.424 9.091 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.195 11.851 9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.449 11.390 7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.898 12.680 8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.489 10.661 10.122 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.029 11.222 10.912 1.00 0.00 H new ATOM 0 HE ARG A 28 6.308 8.879 9.114 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.029 10.637 11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.857 9.323 11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.649 7.398 8.989 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.178 7.655 9.932 1.00 0.00 H new ATOM 71 N TYR A 29 2.742 10.260 6.974 1.00 0.00 N ATOM 72 CA TYR A 29 1.615 9.344 7.006 1.00 0.00 C ATOM 73 C TYR A 29 2.132 7.911 6.964 1.00 0.00 C ATOM 74 O TYR A 29 3.264 7.649 6.552 1.00 0.00 O ATOM 75 CB TYR A 29 0.679 9.609 5.816 1.00 0.00 C ATOM 76 CG TYR A 29 1.167 9.021 4.510 1.00 0.00 C ATOM 77 CD1 TYR A 29 0.898 7.660 4.241 1.00 0.00 C ATOM 78 CD2 TYR A 29 1.880 9.799 3.584 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.397 7.045 3.091 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.302 9.201 2.386 1.00 0.00 C ATOM 81 CZ TYR A 29 2.076 7.822 2.144 1.00 0.00 C ATOM 82 OH TYR A 29 2.417 7.224 0.974 1.00 0.00 O ATOM 0 H TYR A 29 3.519 9.911 6.413 1.00 0.00 H new ATOM 0 HA TYR A 29 1.050 9.497 7.926 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.305 9.199 6.042 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.556 10.685 5.695 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.299 7.088 4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.099 10.836 3.789 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.261 5.985 2.934 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.805 9.798 1.640 1.00 0.00 H new ATOM 0 HH TYR A 29 1.763 6.526 0.761 1.00 0.00 H new ATOM 92 N ARG A 30 1.253 6.980 7.304 1.00 0.00 N ATOM 93 CA ARG A 30 1.442 5.550 7.137 1.00 0.00 C ATOM 94 C ARG A 30 0.078 4.930 6.797 1.00 0.00 C ATOM 95 O ARG A 30 -0.944 5.301 7.382 1.00 0.00 O ATOM 96 CB ARG A 30 2.097 5.058 8.443 1.00 0.00 C ATOM 97 CG ARG A 30 3.074 3.877 8.338 1.00 0.00 C ATOM 98 CD ARG A 30 2.422 2.501 8.251 1.00 0.00 C ATOM 99 NE ARG A 30 1.746 2.135 9.512 1.00 0.00 N ATOM 100 CZ ARG A 30 2.085 1.211 10.386 1.00 0.00 C ATOM 101 NH1 ARG A 30 3.217 0.564 10.330 1.00 0.00 N ATOM 102 NH2 ARG A 30 1.264 0.916 11.349 1.00 0.00 N ATOM 0 H ARG A 30 0.352 7.212 7.721 1.00 0.00 H new ATOM 0 HA ARG A 30 2.099 5.260 6.317 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.629 5.897 8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.302 4.778 9.135 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.700 4.021 7.457 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.735 3.894 9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.699 2.492 7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.180 1.754 8.014 1.00 0.00 H new ATOM 0 HE ARG A 30 0.906 2.669 9.735 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.884 0.766 9.585 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.435 -0.144 11.031 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.368 1.399 11.421 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.515 0.202 12.033 1.00 0.00 H new ATOM 116 N ILE A 31 0.044 4.034 5.813 1.00 0.00 N ATOM 117 CA ILE A 31 -1.153 3.274 5.406 1.00 0.00 C ATOM 118 C ILE A 31 -1.003 1.814 5.754 1.00 0.00 C ATOM 119 O ILE A 31 0.112 1.344 5.897 1.00 0.00 O ATOM 120 CB ILE A 31 -1.482 3.390 3.898 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.384 2.819 2.992 1.00 0.00 C ATOM 122 CG2 ILE A 31 -1.783 4.832 3.530 1.00 0.00 C ATOM 123 CD1 ILE A 31 -0.742 2.803 1.499 1.00 0.00 C ATOM 0 H ILE A 31 0.867 3.805 5.256 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.979 3.721 5.959 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.369 2.780 3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.525 3.404 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.159 1.801 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.012 4.896 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.638 5.184 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.915 5.453 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.088 2.384 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.632 2.193 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.937 3.821 1.161 1.00 0.00 H new ATOM 135 N THR A 32 -2.119 1.103 5.800 1.00 0.00 N ATOM 136 CA THR A 32 -2.236 -0.353 5.895 1.00 0.00 C ATOM 137 C THR A 32 -2.661 -0.903 4.552 1.00 0.00 C ATOM 138 O THR A 32 -3.457 -0.273 3.849 1.00 0.00 O ATOM 139 CB THR A 32 -3.318 -0.688 6.931 1.00 0.00 C ATOM 140 OG1 THR A 32 -2.866 -0.321 8.209 1.00 0.00 O ATOM 141 CG2 THR A 32 -3.676 -2.171 7.022 1.00 0.00 C ATOM 0 H THR A 32 -3.033 1.555 5.770 1.00 0.00 H new ATOM 0 HA THR A 32 -1.281 -0.788 6.188 1.00 0.00 H new ATOM 0 HB THR A 32 -4.202 -0.141 6.602 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.555 -0.532 8.873 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.448 -2.313 7.779 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.046 -2.516 6.057 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.790 -2.743 7.296 1.00 0.00 H new ATOM 149 N MET A 33 -2.155 -2.094 4.221 1.00 0.00 N ATOM 150 CA MET A 33 -2.506 -2.890 3.053 1.00 0.00 C ATOM 151 C MET A 33 -2.616 -4.372 3.428 1.00 0.00 C ATOM 152 O MET A 33 -1.692 -4.955 3.998 1.00 0.00 O ATOM 153 CB MET A 33 -1.485 -2.725 1.905 1.00 0.00 C ATOM 154 CG MET A 33 -0.999 -1.287 1.690 1.00 0.00 C ATOM 155 SD MET A 33 -0.414 -0.759 0.049 1.00 0.00 S ATOM 156 CE MET A 33 0.467 -2.231 -0.482 1.00 0.00 C ATOM 0 H MET A 33 -1.449 -2.551 4.798 1.00 0.00 H new ATOM 0 HA MET A 33 -3.471 -2.526 2.700 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.623 -3.360 2.108 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.936 -3.085 0.980 1.00 0.00 H new ATOM 0 HG2 MET A 33 -1.816 -0.623 1.972 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.187 -1.110 2.396 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.931 -2.048 -1.451 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.238 -2.477 0.248 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.232 -3.063 -0.566 1.00 0.00 H new ATOM 166 N LYS A 34 -3.752 -4.991 3.101 1.00 0.00 N ATOM 167 CA LYS A 34 -4.024 -6.408 3.396 1.00 0.00 C ATOM 168 C LYS A 34 -5.180 -6.978 2.648 1.00 0.00 C ATOM 169 O LYS A 34 -6.010 -6.224 2.158 1.00 0.00 O ATOM 170 CB LYS A 34 -4.514 -6.639 4.848 1.00 0.00 C ATOM 171 CG LYS A 34 -4.959 -5.480 5.733 1.00 0.00 C ATOM 172 CD LYS A 34 -6.357 -5.035 5.268 1.00 0.00 C ATOM 173 CE LYS A 34 -6.933 -3.901 6.109 1.00 0.00 C ATOM 174 NZ LYS A 34 -8.149 -3.339 5.477 1.00 0.00 N ATOM 0 H LYS A 34 -4.519 -4.522 2.619 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.065 -6.863 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.351 -7.335 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.709 -7.150 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.985 -5.787 6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.253 -4.653 5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.303 -4.716 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.035 -5.888 5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.174 -4.269 7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.186 -3.117 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.715 -2.842 6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.874 -2.671 4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.713 -4.109 5.063 1.00 0.00 H new ATOM 188 N ASN A 35 -5.266 -8.302 2.733 1.00 0.00 N ATOM 189 CA ASN A 35 -6.509 -9.024 2.571 1.00 0.00 C ATOM 190 C ASN A 35 -6.396 -10.497 3.053 1.00 0.00 C ATOM 191 O ASN A 35 -5.313 -10.936 3.452 1.00 0.00 O ATOM 192 CB ASN A 35 -7.160 -8.659 1.226 1.00 0.00 C ATOM 193 CG ASN A 35 -8.202 -9.612 0.679 1.00 0.00 C ATOM 194 OD1 ASN A 35 -9.297 -9.739 1.205 1.00 0.00 O ATOM 195 ND2 ASN A 35 -7.899 -10.306 -0.381 1.00 0.00 N ATOM 0 H ASN A 35 -4.463 -8.903 2.918 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.287 -8.701 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.622 -7.677 1.330 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.368 -8.562 0.483 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.577 -10.958 -0.775 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.984 -10.197 -0.817 1.00 0.00 H new ATOM 202 N LEU A 36 -7.523 -11.211 3.173 1.00 0.00 N ATOM 203 CA LEU A 36 -7.634 -12.488 3.901 1.00 0.00 C ATOM 204 C LEU A 36 -6.984 -13.755 3.277 1.00 0.00 C ATOM 205 O LEU A 36 -6.324 -14.479 4.029 1.00 0.00 O ATOM 206 CB LEU A 36 -9.118 -12.743 4.254 1.00 0.00 C ATOM 207 CG LEU A 36 -9.751 -11.869 5.362 1.00 0.00 C ATOM 208 CD1 LEU A 36 -9.009 -11.974 6.698 1.00 0.00 C ATOM 209 CD2 LEU A 36 -9.877 -10.385 5.008 1.00 0.00 C ATOM 0 H LEU A 36 -8.405 -10.912 2.758 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.016 -12.337 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.707 -12.612 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.218 -13.787 4.551 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.754 -12.284 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.498 -11.339 7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.023 -13.008 7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.977 -11.649 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.331 -9.849 5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.888 -9.974 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.502 -10.274 4.122 1.00 0.00 H new ATOM 221 N PRO A 37 -7.146 -14.095 1.982 1.00 0.00 N ATOM 222 CA PRO A 37 -6.537 -15.299 1.396 1.00 0.00 C ATOM 223 C PRO A 37 -5.011 -15.205 1.184 1.00 0.00 C ATOM 224 O PRO A 37 -4.353 -16.226 0.970 1.00 0.00 O ATOM 225 CB PRO A 37 -7.284 -15.536 0.074 1.00 0.00 C ATOM 226 CG PRO A 37 -7.775 -14.146 -0.305 1.00 0.00 C ATOM 227 CD PRO A 37 -8.058 -13.484 1.029 1.00 0.00 C ATOM 0 HA PRO A 37 -6.639 -16.136 2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.628 -15.953 -0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.111 -16.235 0.199 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.023 -13.597 -0.872 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.670 -14.194 -0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.898 -12.407 0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.095 -13.637 1.328 1.00 0.00 H new ATOM 235 N GLU A 38 -4.431 -14.007 1.265 1.00 0.00 N ATOM 236 CA GLU A 38 -2.996 -13.714 1.181 1.00 0.00 C ATOM 237 C GLU A 38 -2.494 -12.962 2.427 1.00 0.00 C ATOM 238 O GLU A 38 -2.975 -13.171 3.537 1.00 0.00 O ATOM 239 CB GLU A 38 -2.661 -13.075 -0.179 1.00 0.00 C ATOM 240 CG GLU A 38 -3.194 -11.659 -0.444 1.00 0.00 C ATOM 241 CD GLU A 38 -4.724 -11.659 -0.586 1.00 0.00 C ATOM 242 OE1 GLU A 38 -5.244 -11.934 -1.696 1.00 0.00 O ATOM 243 OE2 GLU A 38 -5.412 -11.424 0.422 1.00 0.00 O ATOM 0 H GLU A 38 -4.984 -13.161 1.400 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.424 -14.641 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.576 -13.052 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.042 -13.730 -0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.902 -10.999 0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.742 -11.261 -1.353 1.00 0.00 H new ATOM 250 N GLY A 39 -1.432 -12.185 2.260 1.00 0.00 N ATOM 251 CA GLY A 39 -0.733 -11.477 3.321 1.00 0.00 C ATOM 252 C GLY A 39 0.585 -10.871 2.840 1.00 0.00 C ATOM 253 O GLY A 39 1.074 -9.880 3.381 1.00 0.00 O ATOM 0 H GLY A 39 -1.018 -12.025 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.374 -10.686 3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.536 -12.163 4.145 1.00 0.00 H new ATOM 257 N CYS A 40 1.094 -11.439 1.737 1.00 0.00 N ATOM 258 CA CYS A 40 2.181 -10.943 0.920 1.00 0.00 C ATOM 259 C CYS A 40 3.513 -10.786 1.700 1.00 0.00 C ATOM 260 O CYS A 40 3.738 -11.463 2.702 1.00 0.00 O ATOM 261 CB CYS A 40 1.685 -9.671 0.204 1.00 0.00 C ATOM 262 SG CYS A 40 0.023 -9.926 -0.508 1.00 0.00 S ATOM 0 H CYS A 40 0.722 -12.318 1.378 1.00 0.00 H new ATOM 0 HA CYS A 40 2.451 -11.678 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.659 -8.840 0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.385 -9.398 -0.586 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.040 -9.360 -1.677 1.00 0.00 H new ATOM 268 N SER A 41 4.421 -9.928 1.218 1.00 0.00 N ATOM 269 CA SER A 41 5.686 -9.523 1.865 1.00 0.00 C ATOM 270 C SER A 41 6.162 -8.190 1.284 1.00 0.00 C ATOM 271 O SER A 41 5.614 -7.743 0.271 1.00 0.00 O ATOM 272 CB SER A 41 6.774 -10.580 1.648 1.00 0.00 C ATOM 273 OG SER A 41 6.589 -11.666 2.536 1.00 0.00 O ATOM 0 H SER A 41 4.290 -9.470 0.316 1.00 0.00 H new ATOM 0 HA SER A 41 5.502 -9.420 2.934 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.745 -10.935 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.757 -10.137 1.805 1.00 0.00 H new ATOM 0 HG SER A 41 5.638 -11.750 2.756 1.00 0.00 H new ATOM 279 N TRP A 42 7.170 -7.533 1.876 1.00 0.00 N ATOM 280 CA TRP A 42 7.556 -6.196 1.402 1.00 0.00 C ATOM 281 C TRP A 42 7.987 -6.152 -0.060 1.00 0.00 C ATOM 282 O TRP A 42 7.417 -5.392 -0.835 1.00 0.00 O ATOM 283 CB TRP A 42 8.593 -5.512 2.297 1.00 0.00 C ATOM 284 CG TRP A 42 8.952 -4.117 1.841 1.00 0.00 C ATOM 285 CD1 TRP A 42 10.184 -3.563 1.913 1.00 0.00 C ATOM 286 CD2 TRP A 42 8.122 -3.126 1.137 1.00 0.00 C ATOM 287 NE1 TRP A 42 10.188 -2.337 1.280 1.00 0.00 N ATOM 288 CE2 TRP A 42 8.961 -2.050 0.718 1.00 0.00 C ATOM 289 CE3 TRP A 42 6.756 -3.035 0.776 1.00 0.00 C ATOM 290 CZ2 TRP A 42 8.498 -1.010 -0.099 1.00 0.00 C ATOM 291 CZ3 TRP A 42 6.285 -2.017 -0.059 1.00 0.00 C ATOM 292 CH2 TRP A 42 7.158 -1.029 -0.528 1.00 0.00 C ATOM 0 H TRP A 42 7.717 -7.891 2.659 1.00 0.00 H new ATOM 0 HA TRP A 42 6.632 -5.621 1.471 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.209 -5.466 3.316 1.00 0.00 H new ATOM 0 HB3 TRP A 42 9.497 -6.121 2.325 1.00 0.00 H new ATOM 0 HD1 TRP A 42 11.039 -4.014 2.395 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.998 -1.719 1.233 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.061 -3.770 1.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.158 -0.208 -0.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.243 -1.993 -0.343 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.803 -0.280 -1.220 1.00 0.00 H new ATOM 303 N GLN A 43 8.923 -7.002 -0.477 1.00 0.00 N ATOM 304 CA GLN A 43 9.388 -6.985 -1.875 1.00 0.00 C ATOM 305 C GLN A 43 8.289 -7.163 -2.922 1.00 0.00 C ATOM 306 O GLN A 43 8.341 -6.580 -4.009 1.00 0.00 O ATOM 307 CB GLN A 43 10.533 -7.993 -2.082 1.00 0.00 C ATOM 308 CG GLN A 43 10.192 -9.426 -1.609 1.00 0.00 C ATOM 309 CD GLN A 43 10.623 -10.509 -2.604 1.00 0.00 C ATOM 310 OE1 GLN A 43 11.762 -10.577 -3.052 1.00 0.00 O ATOM 311 NE2 GLN A 43 9.732 -11.400 -2.982 1.00 0.00 N ATOM 0 H GLN A 43 9.371 -7.701 0.115 1.00 0.00 H new ATOM 0 HA GLN A 43 9.763 -5.975 -2.042 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.794 -8.021 -3.140 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.415 -7.643 -1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.676 -9.610 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 43 9.117 -9.501 -1.443 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.780 -11.356 -2.618 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.993 -12.135 -3.640 1.00 0.00 H new ATOM 320 N ASP A 44 7.267 -7.913 -2.545 1.00 0.00 N ATOM 321 CA ASP A 44 6.133 -8.262 -3.372 1.00 0.00 C ATOM 322 C ASP A 44 5.170 -7.082 -3.491 1.00 0.00 C ATOM 323 O ASP A 44 4.806 -6.664 -4.590 1.00 0.00 O ATOM 324 CB ASP A 44 5.485 -9.457 -2.678 1.00 0.00 C ATOM 325 CG ASP A 44 6.236 -10.765 -2.968 1.00 0.00 C ATOM 326 OD1 ASP A 44 6.027 -11.361 -4.045 1.00 0.00 O ATOM 327 OD2 ASP A 44 7.053 -11.187 -2.116 1.00 0.00 O ATOM 0 H ASP A 44 7.206 -8.312 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 44 6.424 -8.510 -4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.461 -9.283 -1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.451 -9.552 -3.008 1.00 0.00 H new ATOM 332 N LEU A 45 4.815 -6.502 -2.348 1.00 0.00 N ATOM 333 CA LEU A 45 4.002 -5.303 -2.248 1.00 0.00 C ATOM 334 C LEU A 45 4.639 -4.104 -2.931 1.00 0.00 C ATOM 335 O LEU A 45 3.938 -3.406 -3.649 1.00 0.00 O ATOM 336 CB LEU A 45 3.825 -5.010 -0.758 1.00 0.00 C ATOM 337 CG LEU A 45 2.797 -5.905 -0.072 1.00 0.00 C ATOM 338 CD1 LEU A 45 2.726 -5.377 1.345 1.00 0.00 C ATOM 339 CD2 LEU A 45 1.381 -5.853 -0.648 1.00 0.00 C ATOM 0 H LEU A 45 5.097 -6.869 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 45 3.050 -5.474 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.786 -5.127 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.526 -3.969 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 45 3.116 -6.941 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.007 -5.964 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.708 -5.453 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.412 -4.333 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.734 -6.527 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.996 -4.836 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.402 -6.159 -1.694 1.00 0.00 H new ATOM 351 N LYS A 46 5.951 -3.904 -2.760 1.00 0.00 N ATOM 352 CA LYS A 46 6.775 -2.955 -3.515 1.00 0.00 C ATOM 353 C LYS A 46 6.515 -3.173 -4.977 1.00 0.00 C ATOM 354 O LYS A 46 5.984 -2.278 -5.615 1.00 0.00 O ATOM 355 CB LYS A 46 8.243 -3.158 -3.118 1.00 0.00 C ATOM 356 CG LYS A 46 9.213 -2.183 -3.806 1.00 0.00 C ATOM 357 CD LYS A 46 10.425 -2.924 -4.380 1.00 0.00 C ATOM 358 CE LYS A 46 10.114 -3.601 -5.730 1.00 0.00 C ATOM 359 NZ LYS A 46 10.184 -5.088 -5.710 1.00 0.00 N ATOM 0 H LYS A 46 6.489 -4.420 -2.064 1.00 0.00 H new ATOM 0 HA LYS A 46 6.526 -1.918 -3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.336 -3.047 -2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.537 -4.179 -3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.695 -1.653 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.547 -1.432 -3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.249 -2.222 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.758 -3.678 -3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.116 -3.302 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.813 -3.228 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.896 -5.462 -6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.159 -5.387 -5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.546 -5.456 -4.975 1.00 0.00 H new ATOM 373 N ASP A 47 6.805 -4.358 -5.497 1.00 0.00 N ATOM 374 CA ASP A 47 6.692 -4.643 -6.935 1.00 0.00 C ATOM 375 C ASP A 47 5.326 -4.303 -7.514 1.00 0.00 C ATOM 376 O ASP A 47 5.228 -3.602 -8.522 1.00 0.00 O ATOM 377 CB ASP A 47 6.981 -6.136 -7.159 1.00 0.00 C ATOM 378 CG ASP A 47 7.938 -6.393 -8.324 1.00 0.00 C ATOM 379 OD1 ASP A 47 9.105 -5.944 -8.213 1.00 0.00 O ATOM 380 OD2 ASP A 47 7.534 -7.074 -9.296 1.00 0.00 O ATOM 0 H ASP A 47 7.125 -5.152 -4.942 1.00 0.00 H new ATOM 0 HA ASP A 47 7.414 -4.010 -7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.405 -6.559 -6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.042 -6.658 -7.346 1.00 0.00 H new ATOM 385 N LEU A 48 4.268 -4.731 -6.830 1.00 0.00 N ATOM 386 CA LEU A 48 2.922 -4.381 -7.231 1.00 0.00 C ATOM 387 C LEU A 48 2.685 -2.895 -7.192 1.00 0.00 C ATOM 388 O LEU A 48 2.168 -2.325 -8.134 1.00 0.00 O ATOM 389 CB LEU A 48 1.910 -5.033 -6.310 1.00 0.00 C ATOM 390 CG LEU A 48 0.488 -4.903 -6.860 1.00 0.00 C ATOM 391 CD1 LEU A 48 -0.355 -3.683 -6.610 1.00 0.00 C ATOM 392 CD2 LEU A 48 0.301 -5.499 -8.249 1.00 0.00 C ATOM 0 H LEU A 48 4.324 -5.319 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 48 2.804 -4.735 -8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.158 -6.087 -6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.964 -4.572 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 48 0.016 -5.546 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.325 -3.806 -7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.497 -3.552 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.145 -2.805 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.733 -5.366 -8.566 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.964 -4.996 -8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.538 -6.563 -8.224 1.00 0.00 H new ATOM 404 N ALA A 49 3.045 -2.262 -6.090 1.00 0.00 N ATOM 405 CA ALA A 49 2.888 -0.844 -5.920 1.00 0.00 C ATOM 406 C ALA A 49 3.605 -0.080 -7.057 1.00 0.00 C ATOM 407 O ALA A 49 3.019 0.823 -7.665 1.00 0.00 O ATOM 408 CB ALA A 49 3.372 -0.585 -4.500 1.00 0.00 C ATOM 0 H ALA A 49 3.458 -2.731 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 49 1.867 -0.474 -6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.290 0.479 -4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.761 -1.152 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.413 -0.896 -4.408 1.00 0.00 H new ATOM 414 N ARG A 50 4.798 -0.549 -7.462 1.00 0.00 N ATOM 415 CA ARG A 50 5.529 -0.086 -8.660 1.00 0.00 C ATOM 416 C ARG A 50 4.780 -0.390 -9.964 1.00 0.00 C ATOM 417 O ARG A 50 4.905 0.385 -10.912 1.00 0.00 O ATOM 418 CB ARG A 50 6.972 -0.626 -8.745 1.00 0.00 C ATOM 419 CG ARG A 50 7.794 -0.705 -7.450 1.00 0.00 C ATOM 420 CD ARG A 50 7.585 0.378 -6.388 1.00 0.00 C ATOM 421 NE ARG A 50 8.758 1.276 -6.298 1.00 0.00 N ATOM 422 CZ ARG A 50 9.002 2.353 -7.027 1.00 0.00 C ATOM 423 NH1 ARG A 50 8.116 2.942 -7.771 1.00 0.00 N ATOM 424 NH2 ARG A 50 10.173 2.913 -7.026 1.00 0.00 N ATOM 0 H ARG A 50 5.296 -1.280 -6.953 1.00 0.00 H new ATOM 0 HA ARG A 50 5.589 0.996 -8.541 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.928 -1.627 -9.173 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.520 -0.001 -9.450 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.590 -1.670 -6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.849 -0.701 -7.725 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.696 0.961 -6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.407 -0.089 -5.419 1.00 0.00 H new ATOM 0 HE ARG A 50 9.457 1.038 -5.595 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.165 2.576 -7.818 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.371 3.770 -8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.924 2.523 -6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.342 3.743 -7.595 1.00 0.00 H new ATOM 438 N GLU A 51 3.967 -1.456 -10.022 1.00 0.00 N ATOM 439 CA GLU A 51 3.062 -1.682 -11.172 1.00 0.00 C ATOM 440 C GLU A 51 1.842 -0.744 -11.179 1.00 0.00 C ATOM 441 O GLU A 51 1.243 -0.487 -12.228 1.00 0.00 O ATOM 442 CB GLU A 51 2.488 -3.109 -11.124 1.00 0.00 C ATOM 443 CG GLU A 51 3.538 -4.227 -11.202 1.00 0.00 C ATOM 444 CD GLU A 51 3.213 -5.298 -12.250 1.00 0.00 C ATOM 445 OE1 GLU A 51 2.126 -5.918 -12.189 1.00 0.00 O ATOM 446 OE2 GLU A 51 4.122 -5.663 -13.036 1.00 0.00 O ATOM 0 H GLU A 51 3.913 -2.171 -9.297 1.00 0.00 H new ATOM 0 HA GLU A 51 3.673 -1.500 -12.056 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.920 -3.227 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.785 -3.231 -11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.509 -3.788 -11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.626 -4.701 -10.224 1.00 0.00 H new ATOM 453 N ASN A 52 1.479 -0.243 -9.999 1.00 0.00 N ATOM 454 CA ASN A 52 0.197 0.391 -9.697 1.00 0.00 C ATOM 455 C ASN A 52 0.217 1.909 -9.441 1.00 0.00 C ATOM 456 O ASN A 52 -0.858 2.490 -9.293 1.00 0.00 O ATOM 457 CB ASN A 52 -0.375 -0.442 -8.548 1.00 0.00 C ATOM 458 CG ASN A 52 -1.291 -1.531 -9.038 1.00 0.00 C ATOM 459 OD1 ASN A 52 -0.724 -2.636 -9.437 1.00 0.00 O flip ATOM 460 ND2 ASN A 52 -2.506 -1.417 -9.055 1.00 0.00 N flip ATOM 0 H ASN A 52 2.100 -0.269 -9.190 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.444 0.381 -10.579 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.443 -0.885 -7.980 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.920 0.210 -7.865 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.941 -0.550 -8.741 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.086 -2.189 -9.383 1.00 0.00 H new ATOM 467 N SER A 53 1.409 2.526 -9.420 1.00 0.00 N ATOM 468 CA SER A 53 1.744 3.974 -9.455 1.00 0.00 C ATOM 469 C SER A 53 2.467 4.480 -8.197 1.00 0.00 C ATOM 470 O SER A 53 2.880 5.642 -8.143 1.00 0.00 O ATOM 471 CB SER A 53 0.571 4.923 -9.755 1.00 0.00 C ATOM 472 OG SER A 53 -0.041 4.643 -11.001 1.00 0.00 O ATOM 0 H SER A 53 2.261 1.968 -9.373 1.00 0.00 H new ATOM 0 HA SER A 53 2.424 4.011 -10.306 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.172 4.841 -8.961 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.929 5.952 -9.752 1.00 0.00 H new ATOM 0 HG SER A 53 -0.669 3.898 -10.897 1.00 0.00 H new ATOM 478 N LEU A 54 2.629 3.628 -7.192 1.00 0.00 N ATOM 479 CA LEU A 54 3.323 3.962 -5.951 1.00 0.00 C ATOM 480 C LEU A 54 4.830 4.055 -6.203 1.00 0.00 C ATOM 481 O LEU A 54 5.431 3.315 -6.981 1.00 0.00 O ATOM 482 CB LEU A 54 3.056 2.866 -4.910 1.00 0.00 C ATOM 483 CG LEU A 54 1.625 2.643 -4.363 1.00 0.00 C ATOM 484 CD1 LEU A 54 1.621 2.393 -2.837 1.00 0.00 C ATOM 485 CD2 LEU A 54 0.647 3.786 -4.637 1.00 0.00 C ATOM 0 H LEU A 54 2.277 2.671 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 54 2.958 4.922 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.387 1.922 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.701 3.069 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 54 1.285 1.764 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.597 2.242 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.213 1.506 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.050 3.255 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.328 3.539 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.019 4.701 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.552 3.933 -5.713 1.00 0.00 H new ATOM 497 N GLU A 55 5.428 4.941 -5.431 1.00 0.00 N ATOM 498 CA GLU A 55 6.866 5.190 -5.302 1.00 0.00 C ATOM 499 C GLU A 55 7.198 5.611 -3.857 1.00 0.00 C ATOM 500 O GLU A 55 7.970 6.519 -3.554 1.00 0.00 O ATOM 501 CB GLU A 55 7.310 6.184 -6.376 1.00 0.00 C ATOM 502 CG GLU A 55 8.837 6.278 -6.375 1.00 0.00 C ATOM 503 CD GLU A 55 9.404 6.374 -7.799 1.00 0.00 C ATOM 504 OE1 GLU A 55 9.581 5.298 -8.421 1.00 0.00 O ATOM 505 OE2 GLU A 55 9.677 7.496 -8.292 1.00 0.00 O ATOM 0 H GLU A 55 4.886 5.558 -4.827 1.00 0.00 H new ATOM 0 HA GLU A 55 7.440 4.281 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.954 5.863 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.873 7.164 -6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.147 7.151 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.255 5.404 -5.876 1.00 0.00 H new ATOM 512 N THR A 56 6.514 4.923 -2.963 1.00 0.00 N ATOM 513 CA THR A 56 6.618 4.996 -1.512 1.00 0.00 C ATOM 514 C THR A 56 8.043 4.704 -1.007 1.00 0.00 C ATOM 515 O THR A 56 8.832 4.038 -1.683 1.00 0.00 O ATOM 516 CB THR A 56 5.669 3.956 -0.910 1.00 0.00 C ATOM 517 OG1 THR A 56 5.909 2.696 -1.520 1.00 0.00 O ATOM 518 CG2 THR A 56 4.181 4.219 -1.092 1.00 0.00 C ATOM 0 H THR A 56 5.813 4.242 -3.254 1.00 0.00 H new ATOM 0 HA THR A 56 6.359 6.010 -1.208 1.00 0.00 H new ATOM 0 HB THR A 56 5.883 3.996 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.059 2.311 -1.821 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.610 3.417 -0.625 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.920 5.169 -0.626 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.946 4.260 -2.156 1.00 0.00 H new ATOM 526 N THR A 57 8.379 5.149 0.203 1.00 0.00 N ATOM 527 CA THR A 57 9.728 4.994 0.773 1.00 0.00 C ATOM 528 C THR A 57 9.945 3.594 1.332 1.00 0.00 C ATOM 529 O THR A 57 10.981 2.973 1.083 1.00 0.00 O ATOM 530 CB THR A 57 9.934 5.942 1.971 1.00 0.00 C ATOM 531 OG1 THR A 57 9.541 7.251 1.629 1.00 0.00 O ATOM 532 CG2 THR A 57 11.384 6.013 2.451 1.00 0.00 C ATOM 0 H THR A 57 7.726 5.629 0.822 1.00 0.00 H new ATOM 0 HA THR A 57 10.418 5.209 -0.043 1.00 0.00 H new ATOM 0 HB THR A 57 9.324 5.531 2.775 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.174 7.893 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.455 6.698 3.296 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.714 5.021 2.760 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.019 6.370 1.640 1.00 0.00 H new ATOM 540 N PHE A 58 8.973 3.119 2.110 1.00 0.00 N ATOM 541 CA PHE A 58 9.128 1.937 2.946 1.00 0.00 C ATOM 542 C PHE A 58 7.795 1.307 3.345 1.00 0.00 C ATOM 543 O PHE A 58 6.755 1.966 3.285 1.00 0.00 O ATOM 544 CB PHE A 58 9.915 2.376 4.198 1.00 0.00 C ATOM 545 CG PHE A 58 9.190 3.041 5.366 1.00 0.00 C ATOM 546 CD1 PHE A 58 8.501 2.258 6.319 1.00 0.00 C ATOM 547 CD2 PHE A 58 9.336 4.422 5.608 1.00 0.00 C ATOM 548 CE1 PHE A 58 7.989 2.836 7.489 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.875 4.992 6.808 1.00 0.00 C ATOM 550 CZ PHE A 58 8.198 4.200 7.745 1.00 0.00 C ATOM 0 H PHE A 58 8.051 3.549 2.176 1.00 0.00 H new ATOM 0 HA PHE A 58 9.656 1.167 2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.418 1.492 4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.693 3.064 3.866 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.367 1.201 6.144 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.806 5.048 4.865 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.435 2.233 8.192 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.043 6.040 7.007 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.837 4.639 8.664 1.00 0.00 H new ATOM 560 N SER A 59 7.848 0.061 3.830 1.00 0.00 N ATOM 561 CA SER A 59 6.720 -0.602 4.491 1.00 0.00 C ATOM 562 C SER A 59 7.149 -1.513 5.642 1.00 0.00 C ATOM 563 O SER A 59 8.180 -2.189 5.593 1.00 0.00 O ATOM 564 CB SER A 59 5.931 -1.464 3.515 1.00 0.00 C ATOM 565 OG SER A 59 4.910 -2.200 4.154 1.00 0.00 O ATOM 0 H SER A 59 8.684 -0.520 3.774 1.00 0.00 H new ATOM 0 HA SER A 59 6.109 0.213 4.881 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.491 -0.829 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.610 -2.151 3.010 1.00 0.00 H new ATOM 0 HG SER A 59 4.429 -2.737 3.490 1.00 0.00 H new ATOM 571 N SER A 60 6.295 -1.551 6.657 1.00 0.00 N ATOM 572 CA SER A 60 6.284 -2.521 7.752 1.00 0.00 C ATOM 573 C SER A 60 5.459 -3.743 7.301 1.00 0.00 C ATOM 574 O SER A 60 4.228 -3.686 7.307 1.00 0.00 O ATOM 575 CB SER A 60 5.622 -1.871 8.970 1.00 0.00 C ATOM 576 OG SER A 60 6.343 -0.732 9.424 1.00 0.00 O ATOM 0 H SER A 60 5.545 -0.865 6.746 1.00 0.00 H new ATOM 0 HA SER A 60 7.296 -2.832 8.011 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.604 -1.578 8.716 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.551 -2.601 9.777 1.00 0.00 H new ATOM 0 HG SER A 60 5.888 -0.345 10.201 1.00 0.00 H new ATOM 582 N VAL A 61 6.117 -4.844 6.917 1.00 0.00 N ATOM 583 CA VAL A 61 5.485 -6.146 6.595 1.00 0.00 C ATOM 584 C VAL A 61 6.185 -7.259 7.371 1.00 0.00 C ATOM 585 O VAL A 61 7.364 -7.125 7.711 1.00 0.00 O ATOM 586 CB VAL A 61 5.527 -6.496 5.082 1.00 0.00 C ATOM 587 CG1 VAL A 61 4.361 -7.423 4.700 1.00 0.00 C ATOM 588 CG2 VAL A 61 5.474 -5.296 4.139 1.00 0.00 C ATOM 0 H VAL A 61 7.132 -4.863 6.816 1.00 0.00 H new ATOM 0 HA VAL A 61 4.437 -6.058 6.881 1.00 0.00 H new ATOM 0 HB VAL A 61 6.496 -6.978 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.413 -7.653 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.427 -8.347 5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.415 -6.927 4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.509 -5.643 3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.549 -4.743 4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.326 -4.644 4.332 1.00 0.00 H new ATOM 598 N ASN A 62 5.492 -8.375 7.619 1.00 0.00 N ATOM 599 CA ASN A 62 6.016 -9.548 8.328 1.00 0.00 C ATOM 600 C ASN A 62 6.487 -9.233 9.767 1.00 0.00 C ATOM 601 O ASN A 62 7.362 -9.917 10.301 1.00 0.00 O ATOM 602 CB ASN A 62 7.089 -10.238 7.450 1.00 0.00 C ATOM 603 CG ASN A 62 6.595 -10.636 6.070 1.00 0.00 C ATOM 604 OD1 ASN A 62 5.603 -11.333 5.917 1.00 0.00 O ATOM 605 ND2 ASN A 62 7.277 -10.235 5.020 1.00 0.00 N ATOM 0 H ASN A 62 4.523 -8.491 7.324 1.00 0.00 H new ATOM 0 HA ASN A 62 5.202 -10.257 8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.941 -9.567 7.340 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.449 -11.128 7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.977 -10.506 4.083 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.106 -9.653 5.142 1.00 0.00 H new ATOM 612 N THR A 63 5.928 -8.191 10.398 1.00 0.00 N ATOM 613 CA THR A 63 6.237 -7.799 11.789 1.00 0.00 C ATOM 614 C THR A 63 5.775 -8.887 12.780 1.00 0.00 C ATOM 615 O THR A 63 6.506 -9.284 13.685 1.00 0.00 O ATOM 616 CB THR A 63 5.613 -6.432 12.153 1.00 0.00 C ATOM 617 OG1 THR A 63 4.209 -6.476 12.315 1.00 0.00 O ATOM 618 CG2 THR A 63 5.906 -5.340 11.124 1.00 0.00 C ATOM 0 H THR A 63 5.238 -7.585 9.954 1.00 0.00 H new ATOM 0 HA THR A 63 7.320 -7.696 11.864 1.00 0.00 H new ATOM 0 HB THR A 63 6.089 -6.191 13.104 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.786 -6.662 11.451 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.439 -4.407 11.440 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.983 -5.197 11.042 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.504 -5.636 10.155 1.00 0.00 H new ATOM 626 N ARG A 64 4.566 -9.396 12.511 1.00 0.00 N ATOM 627 CA ARG A 64 3.852 -10.575 13.038 1.00 0.00 C ATOM 628 C ARG A 64 2.520 -10.625 12.287 1.00 0.00 C ATOM 629 O ARG A 64 2.186 -11.624 11.656 1.00 0.00 O ATOM 630 CB ARG A 64 3.598 -10.490 14.567 1.00 0.00 C ATOM 631 CG ARG A 64 3.734 -11.821 15.333 1.00 0.00 C ATOM 632 CD ARG A 64 3.130 -13.089 14.707 1.00 0.00 C ATOM 633 NE ARG A 64 1.703 -12.962 14.347 1.00 0.00 N ATOM 634 CZ ARG A 64 1.031 -13.808 13.577 1.00 0.00 C ATOM 635 NH1 ARG A 64 1.494 -14.963 13.208 1.00 0.00 N ATOM 636 NH2 ARG A 64 -0.149 -13.522 13.129 1.00 0.00 N ATOM 0 H ARG A 64 3.981 -8.925 11.821 1.00 0.00 H new ATOM 0 HA ARG A 64 4.453 -11.472 12.888 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.296 -9.771 14.995 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.595 -10.097 14.731 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.796 -12.004 15.495 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.280 -11.687 16.315 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.698 -13.346 13.813 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.245 -13.917 15.406 1.00 0.00 H new ATOM 0 HE ARG A 64 1.194 -12.161 14.720 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.421 -15.262 13.512 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.931 -15.572 12.614 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.582 -12.630 13.366 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.646 -14.189 12.539 1.00 0.00 H new ATOM 650 N ASP A 65 1.851 -9.466 12.258 1.00 0.00 N ATOM 651 CA ASP A 65 0.665 -9.139 11.457 1.00 0.00 C ATOM 652 C ASP A 65 -0.529 -10.061 11.809 1.00 0.00 C ATOM 653 O ASP A 65 -0.507 -10.762 12.831 1.00 0.00 O ATOM 654 CB ASP A 65 1.031 -9.184 9.959 1.00 0.00 C ATOM 655 CG ASP A 65 2.349 -8.498 9.519 1.00 0.00 C ATOM 656 OD1 ASP A 65 3.022 -7.791 10.306 1.00 0.00 O ATOM 657 OD2 ASP A 65 2.749 -8.731 8.354 1.00 0.00 O ATOM 0 H ASP A 65 2.145 -8.677 12.834 1.00 0.00 H new ATOM 0 HA ASP A 65 0.337 -8.127 11.694 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.080 -10.230 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.213 -8.729 9.400 1.00 0.00 H new ATOM 662 N PHE A 66 -1.584 -10.101 10.988 1.00 0.00 N ATOM 663 CA PHE A 66 -2.619 -11.156 11.092 1.00 0.00 C ATOM 664 C PHE A 66 -2.075 -12.543 10.650 1.00 0.00 C ATOM 665 O PHE A 66 -2.697 -13.572 10.907 1.00 0.00 O ATOM 666 CB PHE A 66 -3.889 -10.748 10.309 1.00 0.00 C ATOM 667 CG PHE A 66 -4.123 -11.419 8.961 1.00 0.00 C ATOM 668 CD1 PHE A 66 -3.528 -10.896 7.808 1.00 0.00 C ATOM 669 CD2 PHE A 66 -4.958 -12.550 8.855 1.00 0.00 C ATOM 670 CE1 PHE A 66 -3.769 -11.475 6.551 1.00 0.00 C ATOM 671 CE2 PHE A 66 -5.182 -13.149 7.598 1.00 0.00 C ATOM 672 CZ PHE A 66 -4.586 -12.610 6.441 1.00 0.00 C ATOM 0 H PHE A 66 -1.751 -9.422 10.245 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.896 -11.258 12.141 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.754 -10.949 10.941 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.855 -9.670 10.148 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.877 -10.038 7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.427 -12.958 9.738 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.324 -11.045 5.666 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.812 -14.023 7.522 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.757 -13.067 5.477 1.00 0.00 H new ATOM 682 N ASP A 67 -0.888 -12.520 10.026 1.00 0.00 N ATOM 683 CA ASP A 67 -0.038 -13.536 9.376 1.00 0.00 C ATOM 684 C ASP A 67 0.695 -12.894 8.172 1.00 0.00 C ATOM 685 O ASP A 67 1.772 -13.346 7.774 1.00 0.00 O ATOM 686 CB ASP A 67 -0.772 -14.832 8.973 1.00 0.00 C ATOM 687 CG ASP A 67 -0.919 -15.859 10.124 1.00 0.00 C ATOM 688 OD1 ASP A 67 -0.375 -15.652 11.233 1.00 0.00 O ATOM 689 OD2 ASP A 67 -1.548 -16.919 9.888 1.00 0.00 O ATOM 0 H ASP A 67 -0.417 -11.618 9.954 1.00 0.00 H new ATOM 0 HA ASP A 67 0.685 -13.865 10.123 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.764 -14.575 8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.234 -15.300 8.149 1.00 0.00 H new ATOM 694 N GLY A 68 0.146 -11.792 7.640 1.00 0.00 N ATOM 695 CA GLY A 68 0.788 -10.892 6.675 1.00 0.00 C ATOM 696 C GLY A 68 -0.071 -9.652 6.386 1.00 0.00 C ATOM 697 O GLY A 68 -1.171 -9.770 5.853 1.00 0.00 O ATOM 0 H GLY A 68 -0.798 -11.492 7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.758 -10.579 7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.973 -11.430 5.745 1.00 0.00 H new ATOM 701 N THR A 69 0.406 -8.458 6.735 1.00 0.00 N ATOM 702 CA THR A 69 -0.182 -7.159 6.348 1.00 0.00 C ATOM 703 C THR A 69 0.953 -6.166 6.137 1.00 0.00 C ATOM 704 O THR A 69 1.834 -6.054 6.995 1.00 0.00 O ATOM 705 CB THR A 69 -1.170 -6.555 7.371 1.00 0.00 C ATOM 706 OG1 THR A 69 -0.547 -6.138 8.569 1.00 0.00 O ATOM 707 CG2 THR A 69 -2.278 -7.488 7.825 1.00 0.00 C ATOM 0 H THR A 69 1.240 -8.356 7.314 1.00 0.00 H new ATOM 0 HA THR A 69 -0.762 -7.347 5.444 1.00 0.00 H new ATOM 0 HB THR A 69 -1.581 -5.721 6.802 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.411 -6.006 8.411 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.918 -6.972 8.541 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.871 -7.795 6.964 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.842 -8.368 8.297 1.00 0.00 H new ATOM 715 N GLY A 70 0.937 -5.423 5.040 1.00 0.00 N ATOM 716 CA GLY A 70 1.993 -4.462 4.730 1.00 0.00 C ATOM 717 C GLY A 70 1.530 -3.034 4.905 1.00 0.00 C ATOM 718 O GLY A 70 0.536 -2.629 4.318 1.00 0.00 O ATOM 0 H GLY A 70 0.196 -5.467 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.851 -4.646 5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.328 -4.611 3.704 1.00 0.00 H new ATOM 722 N ALA A 71 2.246 -2.261 5.715 1.00 0.00 N ATOM 723 CA ALA A 71 1.860 -0.904 6.061 1.00 0.00 C ATOM 724 C ALA A 71 2.917 0.097 5.567 1.00 0.00 C ATOM 725 O ALA A 71 4.042 0.107 6.059 1.00 0.00 O ATOM 726 CB ALA A 71 1.586 -0.878 7.570 1.00 0.00 C ATOM 0 H ALA A 71 3.117 -2.564 6.151 1.00 0.00 H new ATOM 0 HA ALA A 71 0.945 -0.590 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.292 0.128 7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.783 -1.576 7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.488 -1.168 8.109 1.00 0.00 H new ATOM 732 N LEU A 72 2.576 0.866 4.527 1.00 0.00 N ATOM 733 CA LEU A 72 3.479 1.712 3.721 1.00 0.00 C ATOM 734 C LEU A 72 3.616 3.135 4.291 1.00 0.00 C ATOM 735 O LEU A 72 2.761 3.590 5.043 1.00 0.00 O ATOM 736 CB LEU A 72 2.922 1.826 2.304 1.00 0.00 C ATOM 737 CG LEU A 72 3.330 0.773 1.271 1.00 0.00 C ATOM 738 CD1 LEU A 72 4.773 0.977 0.844 1.00 0.00 C ATOM 739 CD2 LEU A 72 2.989 -0.658 1.670 1.00 0.00 C ATOM 0 H LEU A 72 1.610 0.922 4.203 1.00 0.00 H new ATOM 0 HA LEU A 72 4.461 1.240 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.834 1.817 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.209 2.802 1.913 1.00 0.00 H new ATOM 0 HG LEU A 72 2.711 0.930 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.046 0.219 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.885 1.967 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.425 0.891 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.311 -1.341 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.500 -0.908 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.912 -0.749 1.811 1.00 0.00 H new ATOM 751 N GLU A 73 4.626 3.869 3.828 1.00 0.00 N ATOM 752 CA GLU A 73 4.886 5.297 4.163 1.00 0.00 C ATOM 753 C GLU A 73 5.509 6.129 3.002 1.00 0.00 C ATOM 754 O GLU A 73 6.262 5.598 2.178 1.00 0.00 O ATOM 755 CB GLU A 73 5.812 5.352 5.389 1.00 0.00 C ATOM 756 CG GLU A 73 6.218 6.784 5.816 1.00 0.00 C ATOM 757 CD GLU A 73 6.400 7.022 7.327 1.00 0.00 C ATOM 758 OE1 GLU A 73 5.773 6.343 8.176 1.00 0.00 O ATOM 759 OE2 GLU A 73 7.115 7.984 7.700 1.00 0.00 O ATOM 0 H GLU A 73 5.319 3.486 3.185 1.00 0.00 H new ATOM 0 HA GLU A 73 3.917 5.753 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.316 4.862 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.714 4.780 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.152 7.038 5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.461 7.477 5.450 1.00 0.00 H new ATOM 766 N PHE A 74 5.251 7.451 2.969 1.00 0.00 N ATOM 767 CA PHE A 74 5.967 8.441 2.141 1.00 0.00 C ATOM 768 C PHE A 74 6.030 9.852 2.795 1.00 0.00 C ATOM 769 O PHE A 74 5.106 10.230 3.518 1.00 0.00 O ATOM 770 CB PHE A 74 5.305 8.629 0.762 1.00 0.00 C ATOM 771 CG PHE A 74 6.274 9.149 -0.286 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.417 8.417 -0.651 1.00 0.00 C ATOM 773 CD2 PHE A 74 6.110 10.442 -0.819 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.367 8.954 -1.540 1.00 0.00 C ATOM 775 CE2 PHE A 74 7.055 10.990 -1.703 1.00 0.00 C ATOM 776 CZ PHE A 74 8.187 10.243 -2.067 1.00 0.00 C ATOM 0 H PHE A 74 4.515 7.873 3.536 1.00 0.00 H new ATOM 0 HA PHE A 74 6.972 8.030 2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.892 7.677 0.429 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.470 9.323 0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.569 7.428 -0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.242 11.023 -0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.235 8.374 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.911 11.983 -2.102 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.915 10.658 -2.748 1.00 0.00 H new ATOM 786 N PRO A 75 7.049 10.681 2.479 1.00 0.00 N ATOM 787 CA PRO A 75 7.120 12.116 2.792 1.00 0.00 C ATOM 788 C PRO A 75 6.005 13.048 2.261 1.00 0.00 C ATOM 789 O PRO A 75 6.049 14.235 2.592 1.00 0.00 O ATOM 790 CB PRO A 75 8.468 12.573 2.223 1.00 0.00 C ATOM 791 CG PRO A 75 9.349 11.349 2.410 1.00 0.00 C ATOM 792 CD PRO A 75 8.379 10.217 2.100 1.00 0.00 C ATOM 0 HA PRO A 75 6.991 12.204 3.871 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.388 12.857 1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.860 13.438 2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.203 11.353 1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.746 11.282 3.423 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.411 9.961 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.646 9.317 2.654 1.00 0.00 H new ATOM 800 N SER A 76 5.026 12.579 1.475 1.00 0.00 N ATOM 801 CA SER A 76 3.938 13.406 0.915 1.00 0.00 C ATOM 802 C SER A 76 2.620 12.651 0.844 1.00 0.00 C ATOM 803 O SER A 76 2.561 11.583 0.230 1.00 0.00 O ATOM 804 CB SER A 76 4.213 13.796 -0.531 1.00 0.00 C ATOM 805 OG SER A 76 5.346 14.627 -0.695 1.00 0.00 O ATOM 0 H SER A 76 4.963 11.598 1.203 1.00 0.00 H new ATOM 0 HA SER A 76 3.884 14.268 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.350 12.890 -1.121 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.338 14.308 -0.932 1.00 0.00 H new ATOM 0 HG SER A 76 5.238 15.171 -1.503 1.00 0.00 H new ATOM 811 N GLU A 77 1.532 13.259 1.324 1.00 0.00 N ATOM 812 CA GLU A 77 0.171 12.720 1.163 1.00 0.00 C ATOM 813 C GLU A 77 -0.249 12.456 -0.292 1.00 0.00 C ATOM 814 O GLU A 77 -1.190 11.710 -0.530 1.00 0.00 O ATOM 815 CB GLU A 77 -0.873 13.584 1.877 1.00 0.00 C ATOM 816 CG GLU A 77 -0.895 15.049 1.413 1.00 0.00 C ATOM 817 CD GLU A 77 -1.856 15.890 2.277 1.00 0.00 C ATOM 818 OE1 GLU A 77 -1.544 16.135 3.469 1.00 0.00 O ATOM 819 OE2 GLU A 77 -2.927 16.310 1.779 1.00 0.00 O ATOM 0 H GLU A 77 1.566 14.140 1.837 1.00 0.00 H new ATOM 0 HA GLU A 77 0.211 11.742 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.860 13.149 1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.681 13.556 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.110 15.467 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.202 15.098 0.368 1.00 0.00 H new ATOM 826 N GLU A 78 0.476 13.004 -1.268 1.00 0.00 N ATOM 827 CA GLU A 78 0.355 12.661 -2.687 1.00 0.00 C ATOM 828 C GLU A 78 0.313 11.132 -2.896 1.00 0.00 C ATOM 829 O GLU A 78 -0.643 10.603 -3.463 1.00 0.00 O ATOM 830 CB GLU A 78 1.559 13.255 -3.451 1.00 0.00 C ATOM 831 CG GLU A 78 1.683 14.786 -3.379 1.00 0.00 C ATOM 832 CD GLU A 78 3.019 15.260 -3.990 1.00 0.00 C ATOM 833 OE1 GLU A 78 3.143 15.296 -5.238 1.00 0.00 O ATOM 834 OE2 GLU A 78 3.954 15.606 -3.226 1.00 0.00 O ATOM 0 H GLU A 78 1.183 13.718 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.579 13.077 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.474 12.812 -3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.487 12.960 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.851 15.248 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.617 15.112 -2.341 1.00 0.00 H new ATOM 841 N ILE A 79 1.316 10.419 -2.358 1.00 0.00 N ATOM 842 CA ILE A 79 1.504 8.962 -2.520 1.00 0.00 C ATOM 843 C ILE A 79 0.497 8.168 -1.672 1.00 0.00 C ATOM 844 O ILE A 79 0.044 7.089 -2.068 1.00 0.00 O ATOM 845 CB ILE A 79 2.971 8.588 -2.185 1.00 0.00 C ATOM 846 CG1 ILE A 79 3.911 9.452 -3.062 1.00 0.00 C ATOM 847 CG2 ILE A 79 3.243 7.076 -2.314 1.00 0.00 C ATOM 848 CD1 ILE A 79 5.165 8.802 -3.657 1.00 0.00 C ATOM 0 H ILE A 79 2.040 10.849 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 79 1.310 8.692 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 79 3.168 8.808 -1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.321 9.849 -3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.233 10.303 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.285 6.871 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.594 6.530 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.042 6.756 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.714 9.539 -4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.800 8.433 -2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.874 7.971 -4.300 1.00 0.00 H new ATOM 860 N LEU A 80 0.089 8.744 -0.534 1.00 0.00 N ATOM 861 CA LEU A 80 -0.973 8.201 0.293 1.00 0.00 C ATOM 862 C LEU A 80 -2.298 8.152 -0.474 1.00 0.00 C ATOM 863 O LEU A 80 -2.924 7.100 -0.585 1.00 0.00 O ATOM 864 CB LEU A 80 -1.097 9.071 1.563 1.00 0.00 C ATOM 865 CG LEU A 80 -2.448 9.060 2.308 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.767 7.712 2.910 1.00 0.00 C ATOM 867 CD2 LEU A 80 -2.469 10.067 3.441 1.00 0.00 C ATOM 0 H LEU A 80 0.495 9.605 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.731 7.176 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.325 8.754 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.874 10.102 1.287 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.191 9.312 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.728 7.760 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.814 6.963 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.989 7.439 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.436 10.030 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.681 9.828 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.305 11.068 3.041 1.00 0.00 H new ATOM 879 N VAL A 81 -2.714 9.302 -1.013 1.00 0.00 N ATOM 880 CA VAL A 81 -4.013 9.495 -1.682 1.00 0.00 C ATOM 881 C VAL A 81 -4.065 8.686 -2.951 1.00 0.00 C ATOM 882 O VAL A 81 -5.091 8.075 -3.245 1.00 0.00 O ATOM 883 CB VAL A 81 -4.262 10.984 -1.997 1.00 0.00 C ATOM 884 CG1 VAL A 81 -5.512 11.234 -2.853 1.00 0.00 C ATOM 885 CG2 VAL A 81 -4.441 11.797 -0.719 1.00 0.00 C ATOM 0 H VAL A 81 -2.145 10.149 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.796 9.155 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.378 11.294 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.622 12.303 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.411 10.714 -3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.392 10.862 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.615 12.842 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.294 11.413 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.542 11.717 -0.108 1.00 0.00 H new ATOM 895 N GLU A 82 -2.929 8.628 -3.644 1.00 0.00 N ATOM 896 CA GLU A 82 -2.685 7.702 -4.702 1.00 0.00 C ATOM 897 C GLU A 82 -3.074 6.293 -4.229 1.00 0.00 C ATOM 898 O GLU A 82 -4.146 5.831 -4.592 1.00 0.00 O ATOM 899 CB GLU A 82 -1.195 7.814 -4.995 1.00 0.00 C ATOM 900 CG GLU A 82 -0.763 8.692 -6.168 1.00 0.00 C ATOM 901 CD GLU A 82 -1.343 8.322 -7.535 1.00 0.00 C ATOM 902 OE1 GLU A 82 -1.360 7.127 -7.900 1.00 0.00 O ATOM 903 OE2 GLU A 82 -1.788 9.233 -8.270 1.00 0.00 O ATOM 0 H GLU A 82 -2.142 9.251 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.267 7.906 -5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.705 8.190 -4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.812 6.809 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.040 9.723 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.324 8.662 -6.237 1.00 0.00 H new ATOM 910 N ALA A 83 -2.309 5.638 -3.349 1.00 0.00 N ATOM 911 CA ALA A 83 -2.602 4.263 -2.899 1.00 0.00 C ATOM 912 C ALA A 83 -4.056 4.042 -2.429 1.00 0.00 C ATOM 913 O ALA A 83 -4.683 3.062 -2.821 1.00 0.00 O ATOM 914 CB ALA A 83 -1.615 3.910 -1.786 1.00 0.00 C ATOM 0 H ALA A 83 -1.472 6.040 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.486 3.604 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.810 2.897 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.597 3.971 -2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.734 4.610 -0.959 1.00 0.00 H new ATOM 920 N LEU A 84 -4.634 4.982 -1.692 1.00 0.00 N ATOM 921 CA LEU A 84 -6.025 4.928 -1.204 1.00 0.00 C ATOM 922 C LEU A 84 -7.046 4.982 -2.338 1.00 0.00 C ATOM 923 O LEU A 84 -8.165 4.494 -2.179 1.00 0.00 O ATOM 924 CB LEU A 84 -6.316 6.086 -0.227 1.00 0.00 C ATOM 925 CG LEU A 84 -5.568 6.144 1.102 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.514 6.637 2.192 1.00 0.00 C ATOM 927 CD2 LEU A 84 -4.984 4.808 1.513 1.00 0.00 C ATOM 0 H LEU A 84 -4.144 5.829 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.125 3.971 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.119 7.019 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.382 6.066 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.733 6.832 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.983 6.680 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.878 7.632 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.358 5.953 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.465 4.915 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.786 4.077 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.280 4.469 0.753 1.00 0.00 H new ATOM 939 N GLU A 85 -6.667 5.530 -3.490 1.00 0.00 N ATOM 940 CA GLU A 85 -7.458 5.474 -4.715 1.00 0.00 C ATOM 941 C GLU A 85 -6.964 4.442 -5.760 1.00 0.00 C ATOM 942 O GLU A 85 -7.657 4.203 -6.750 1.00 0.00 O ATOM 943 CB GLU A 85 -7.455 6.858 -5.388 1.00 0.00 C ATOM 944 CG GLU A 85 -8.123 7.980 -4.583 1.00 0.00 C ATOM 945 CD GLU A 85 -7.992 9.356 -5.283 1.00 0.00 C ATOM 946 OE1 GLU A 85 -7.492 9.446 -6.433 1.00 0.00 O ATOM 947 OE2 GLU A 85 -8.439 10.369 -4.690 1.00 0.00 O ATOM 0 H GLU A 85 -5.787 6.034 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.454 5.161 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.423 7.143 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.957 6.776 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.178 7.745 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.672 8.033 -3.592 1.00 0.00 H new ATOM 954 N ARG A 86 -5.781 3.834 -5.575 1.00 0.00 N ATOM 955 CA ARG A 86 -5.063 3.025 -6.579 1.00 0.00 C ATOM 956 C ARG A 86 -4.964 1.556 -6.205 1.00 0.00 C ATOM 957 O ARG A 86 -4.835 0.726 -7.103 1.00 0.00 O ATOM 958 CB ARG A 86 -3.644 3.607 -6.763 1.00 0.00 C ATOM 959 CG ARG A 86 -3.451 4.481 -8.006 1.00 0.00 C ATOM 960 CD ARG A 86 -4.349 5.717 -7.813 1.00 0.00 C ATOM 961 NE ARG A 86 -4.109 6.886 -8.671 1.00 0.00 N ATOM 962 CZ ARG A 86 -4.927 7.927 -8.601 1.00 0.00 C ATOM 963 NH1 ARG A 86 -6.201 7.799 -8.356 1.00 0.00 N ATOM 964 NH2 ARG A 86 -4.481 9.139 -8.714 1.00 0.00 N ATOM 0 H ARG A 86 -5.278 3.893 -4.690 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.634 3.073 -7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.394 4.198 -5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.933 2.782 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.407 4.773 -8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.727 3.938 -8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.383 5.404 -7.957 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.255 6.039 -6.776 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.319 6.896 -9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.602 6.872 -8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.797 8.625 -8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.485 9.304 -8.860 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.126 9.927 -8.657 1.00 0.00 H new ATOM 978 N LEU A 87 -5.020 1.251 -4.909 1.00 0.00 N ATOM 979 CA LEU A 87 -4.823 -0.053 -4.313 1.00 0.00 C ATOM 980 C LEU A 87 -5.969 -0.448 -3.358 1.00 0.00 C ATOM 981 O LEU A 87 -5.936 -1.511 -2.748 1.00 0.00 O ATOM 982 CB LEU A 87 -3.434 -0.051 -3.643 1.00 0.00 C ATOM 983 CG LEU A 87 -2.299 -0.339 -4.640 1.00 0.00 C ATOM 984 CD1 LEU A 87 -1.829 0.859 -5.432 1.00 0.00 C ATOM 985 CD2 LEU A 87 -1.081 -1.056 -4.067 1.00 0.00 C ATOM 0 H LEU A 87 -5.218 1.964 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.849 -0.826 -5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.263 0.917 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.415 -0.799 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.802 -1.029 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.028 0.557 -6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.660 1.261 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.459 1.624 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.344 -1.208 -4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.643 -0.451 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.384 -2.022 -3.663 1.00 0.00 H new ATOM 997 N ASN A 88 -7.018 0.369 -3.230 1.00 0.00 N ATOM 998 CA ASN A 88 -8.166 0.078 -2.370 1.00 0.00 C ATOM 999 C ASN A 88 -9.072 -1.032 -2.943 1.00 0.00 C ATOM 1000 O ASN A 88 -9.989 -0.781 -3.727 1.00 0.00 O ATOM 1001 CB ASN A 88 -8.882 1.392 -2.051 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.085 1.203 -1.142 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -11.235 1.255 -1.560 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -9.861 0.965 0.122 1.00 0.00 N ATOM 0 H ASN A 88 -7.094 1.258 -3.725 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.825 -0.348 -1.426 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.179 2.078 -1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.205 1.859 -2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.643 0.823 0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.904 0.922 0.471 1.00 0.00 H new ATOM 1011 N ASN A 89 -8.787 -2.266 -2.514 1.00 0.00 N ATOM 1012 CA ASN A 89 -9.488 -3.508 -2.854 1.00 0.00 C ATOM 1013 C ASN A 89 -9.333 -3.836 -4.350 1.00 0.00 C ATOM 1014 O ASN A 89 -10.293 -3.925 -5.118 1.00 0.00 O ATOM 1015 CB ASN A 89 -10.889 -3.518 -2.232 1.00 0.00 C ATOM 1016 CG ASN A 89 -11.537 -4.891 -2.264 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -12.382 -5.204 -3.092 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -11.168 -5.753 -1.338 1.00 0.00 N ATOM 0 H ASN A 89 -8.008 -2.434 -1.877 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.023 -4.378 -2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -10.826 -3.175 -1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -11.523 -2.809 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.587 -6.683 -1.311 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.464 -5.491 -0.649 1.00 0.00 H new ATOM 1025 N ILE A 90 -8.062 -3.966 -4.742 1.00 0.00 N ATOM 1026 CA ILE A 90 -7.575 -4.239 -6.104 1.00 0.00 C ATOM 1027 C ILE A 90 -7.069 -5.667 -6.186 1.00 0.00 C ATOM 1028 O ILE A 90 -6.606 -6.219 -5.190 1.00 0.00 O ATOM 1029 CB ILE A 90 -6.428 -3.273 -6.482 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -5.168 -3.436 -5.600 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -6.992 -1.848 -6.510 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -3.885 -3.157 -6.370 1.00 0.00 C ATOM 0 H ILE A 90 -7.294 -3.878 -4.076 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.401 -4.093 -6.800 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.059 -3.522 -7.477 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.233 -2.759 -4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.136 -4.449 -5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.199 -1.148 -6.775 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.791 -1.787 -7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.387 -1.594 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.028 -3.284 -5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.804 -3.852 -7.206 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.903 -2.135 -6.748 1.00 0.00 H new ATOM 1044 N GLU A 91 -7.076 -6.250 -7.378 1.00 0.00 N ATOM 1045 CA GLU A 91 -6.423 -7.533 -7.607 1.00 0.00 C ATOM 1046 C GLU A 91 -4.902 -7.330 -7.806 1.00 0.00 C ATOM 1047 O GLU A 91 -4.433 -6.831 -8.829 1.00 0.00 O ATOM 1048 CB GLU A 91 -7.114 -8.261 -8.754 1.00 0.00 C ATOM 1049 CG GLU A 91 -6.906 -9.775 -8.758 1.00 0.00 C ATOM 1050 CD GLU A 91 -7.350 -10.391 -10.098 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -8.569 -10.619 -10.293 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -6.484 -10.650 -10.972 1.00 0.00 O ATOM 0 H GLU A 91 -7.527 -5.854 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.522 -8.177 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.183 -8.054 -8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.751 -7.854 -9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.855 -10.001 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.471 -10.225 -7.942 1.00 0.00 H new ATOM 1059 N PHE A 92 -4.128 -7.698 -6.787 1.00 0.00 N ATOM 1060 CA PHE A 92 -2.670 -7.815 -6.761 1.00 0.00 C ATOM 1061 C PHE A 92 -2.209 -8.916 -7.719 1.00 0.00 C ATOM 1062 O PHE A 92 -1.953 -10.040 -7.282 1.00 0.00 O ATOM 1063 CB PHE A 92 -2.211 -8.154 -5.339 1.00 0.00 C ATOM 1064 CG PHE A 92 -0.709 -8.211 -5.056 1.00 0.00 C ATOM 1065 CD1 PHE A 92 0.269 -8.317 -6.070 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -0.285 -8.223 -3.709 1.00 0.00 C ATOM 1067 CE1 PHE A 92 1.624 -8.470 -5.758 1.00 0.00 C ATOM 1068 CE2 PHE A 92 1.082 -8.325 -3.397 1.00 0.00 C ATOM 1069 CZ PHE A 92 2.029 -8.443 -4.428 1.00 0.00 C ATOM 0 H PHE A 92 -4.537 -7.942 -5.885 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.234 -6.867 -7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.649 -7.418 -4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.636 -9.122 -5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.035 -8.279 -7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.014 -8.154 -2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.351 -8.608 -6.545 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.404 -8.313 -2.366 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.079 -8.513 -4.186 1.00 0.00 H new ATOM 1079 N ARG A 93 -2.077 -8.602 -9.005 1.00 0.00 N ATOM 1080 CA ARG A 93 -1.615 -9.485 -10.097 1.00 0.00 C ATOM 1081 C ARG A 93 -2.396 -10.817 -10.303 1.00 0.00 C ATOM 1082 O ARG A 93 -2.226 -11.479 -11.326 1.00 0.00 O ATOM 1083 CB ARG A 93 -0.110 -9.809 -9.921 1.00 0.00 C ATOM 1084 CG ARG A 93 0.838 -8.722 -10.441 1.00 0.00 C ATOM 1085 CD ARG A 93 2.276 -9.036 -10.001 1.00 0.00 C ATOM 1086 NE ARG A 93 3.248 -8.116 -10.618 1.00 0.00 N ATOM 1087 CZ ARG A 93 4.526 -7.987 -10.302 1.00 0.00 C ATOM 1088 NH1 ARG A 93 5.092 -8.625 -9.317 1.00 0.00 N ATOM 1089 NH2 ARG A 93 5.311 -7.195 -10.961 1.00 0.00 N ATOM 0 H ARG A 93 -2.302 -7.667 -9.344 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.812 -8.902 -10.997 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.092 -9.974 -8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.111 -10.743 -10.437 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.784 -8.668 -11.528 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.535 -7.748 -10.058 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.348 -8.967 -8.916 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.524 -10.062 -10.272 1.00 0.00 H new ATOM 0 HE ARG A 93 2.899 -7.517 -11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.544 -9.265 -8.742 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.083 -8.485 -9.121 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.947 -6.652 -11.744 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.293 -7.114 -10.697 1.00 0.00 H new ATOM 1103 N GLY A 94 -3.210 -11.226 -9.328 1.00 0.00 N ATOM 1104 CA GLY A 94 -3.857 -12.532 -9.158 1.00 0.00 C ATOM 1105 C GLY A 94 -4.322 -12.823 -7.710 1.00 0.00 C ATOM 1106 O GLY A 94 -5.165 -13.703 -7.524 1.00 0.00 O ATOM 0 H GLY A 94 -3.457 -10.594 -8.566 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.719 -12.588 -9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.163 -13.313 -9.469 1.00 0.00 H new ATOM 1110 N SER A 95 -3.819 -12.101 -6.689 1.00 0.00 N ATOM 1111 CA SER A 95 -4.339 -12.069 -5.317 1.00 0.00 C ATOM 1112 C SER A 95 -5.135 -10.759 -5.210 1.00 0.00 C ATOM 1113 O SER A 95 -5.326 -10.087 -6.220 1.00 0.00 O ATOM 1114 CB SER A 95 -3.165 -12.102 -4.328 1.00 0.00 C ATOM 1115 OG SER A 95 -2.353 -13.248 -4.534 1.00 0.00 O ATOM 0 H SER A 95 -3.004 -11.500 -6.808 1.00 0.00 H new ATOM 0 HA SER A 95 -4.974 -12.924 -5.083 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.563 -11.201 -4.444 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.546 -12.102 -3.307 1.00 0.00 H new ATOM 0 HG SER A 95 -1.612 -13.244 -3.893 1.00 0.00 H new ATOM 1121 N VAL A 96 -5.575 -10.306 -4.047 1.00 0.00 N ATOM 1122 CA VAL A 96 -6.147 -8.943 -3.896 1.00 0.00 C ATOM 1123 C VAL A 96 -5.647 -8.296 -2.593 1.00 0.00 C ATOM 1124 O VAL A 96 -5.299 -8.984 -1.643 1.00 0.00 O ATOM 1125 CB VAL A 96 -7.690 -8.849 -4.135 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -8.383 -10.174 -4.444 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -8.515 -8.021 -3.134 1.00 0.00 C ATOM 0 H VAL A 96 -5.555 -10.849 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.764 -8.338 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.685 -8.256 -5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.449 -10.001 -4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.955 -10.606 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -8.240 -10.862 -3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.566 -8.043 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.404 -8.442 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.160 -6.990 -3.135 1.00 0.00 H new ATOM 1137 N ILE A 97 -5.588 -6.967 -2.552 1.00 0.00 N ATOM 1138 CA ILE A 97 -5.257 -6.183 -1.353 1.00 0.00 C ATOM 1139 C ILE A 97 -6.195 -4.992 -1.230 1.00 0.00 C ATOM 1140 O ILE A 97 -6.637 -4.419 -2.221 1.00 0.00 O ATOM 1141 CB ILE A 97 -3.801 -5.671 -1.333 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -3.351 -5.099 -2.700 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -2.831 -6.708 -0.751 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -1.896 -4.628 -2.747 1.00 0.00 C ATOM 0 H ILE A 97 -5.773 -6.386 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 97 -5.376 -6.863 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.774 -4.824 -0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.496 -5.863 -3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.999 -4.261 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.819 -6.303 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.121 -6.943 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.863 -7.615 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.670 -4.244 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.745 -3.839 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.235 -5.465 -2.523 1.00 0.00 H new ATOM 1156 N THR A 98 -6.437 -4.601 0.006 1.00 0.00 N ATOM 1157 CA THR A 98 -7.270 -3.474 0.427 1.00 0.00 C ATOM 1158 C THR A 98 -6.416 -2.534 1.247 1.00 0.00 C ATOM 1159 O THR A 98 -5.635 -3.000 2.073 1.00 0.00 O ATOM 1160 CB THR A 98 -8.411 -3.960 1.309 1.00 0.00 C ATOM 1161 OG1 THR A 98 -9.137 -4.984 0.663 1.00 0.00 O ATOM 1162 CG2 THR A 98 -9.397 -2.861 1.678 1.00 0.00 C ATOM 0 H THR A 98 -6.032 -5.092 0.803 1.00 0.00 H new ATOM 0 HA THR A 98 -7.677 -2.979 -0.455 1.00 0.00 H new ATOM 0 HB THR A 98 -7.938 -4.323 2.221 1.00 0.00 H new ATOM 0 HG1 THR A 98 -9.866 -5.286 1.245 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.185 -3.275 2.307 1.00 0.00 H new ATOM 0 HG22 THR A 98 -8.876 -2.072 2.221 1.00 0.00 H new ATOM 0 HG23 THR A 98 -9.837 -2.447 0.771 1.00 0.00 H new ATOM 1170 N VAL A 99 -6.556 -1.228 1.019 1.00 0.00 N ATOM 1171 CA VAL A 99 -5.656 -0.227 1.597 1.00 0.00 C ATOM 1172 C VAL A 99 -6.392 0.975 2.155 1.00 0.00 C ATOM 1173 O VAL A 99 -7.423 1.396 1.624 1.00 0.00 O ATOM 1174 CB VAL A 99 -4.544 0.216 0.642 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -3.910 -0.978 -0.052 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -5.073 1.142 -0.423 1.00 0.00 C ATOM 0 H VAL A 99 -7.292 -0.835 0.432 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.176 -0.739 2.431 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.802 0.734 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.124 -0.633 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.482 -1.647 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.669 -1.511 -0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.259 1.438 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.842 0.630 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.501 2.028 0.045 1.00 0.00 H new ATOM 1186 N GLU A 100 -5.818 1.537 3.211 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.387 2.674 3.937 1.00 0.00 C ATOM 1188 C GLU A 100 -5.367 3.305 4.890 1.00 0.00 C ATOM 1189 O GLU A 100 -4.379 2.685 5.281 1.00 0.00 O ATOM 1190 CB GLU A 100 -7.614 2.204 4.749 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.338 1.112 5.801 1.00 0.00 C ATOM 1192 CD GLU A 100 -7.957 -0.240 5.421 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -7.520 -0.875 4.433 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -8.856 -0.728 6.156 1.00 0.00 O ATOM 0 H GLU A 100 -4.931 1.214 3.596 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.679 3.426 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.046 3.068 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.366 1.832 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.261 0.994 5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.735 1.432 6.765 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.622 4.550 5.286 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.793 5.296 6.238 1.00 0.00 C ATOM 1203 C ARG A 101 -4.811 4.718 7.664 1.00 0.00 C ATOM 1204 O ARG A 101 -5.839 4.233 8.133 1.00 0.00 O ATOM 1205 CB ARG A 101 -5.209 6.767 6.178 1.00 0.00 C ATOM 1206 CG ARG A 101 -6.639 7.074 6.659 1.00 0.00 C ATOM 1207 CD ARG A 101 -7.162 8.364 6.015 1.00 0.00 C ATOM 1208 NE ARG A 101 -8.539 8.666 6.449 1.00 0.00 N ATOM 1209 CZ ARG A 101 -8.931 9.559 7.348 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -8.111 10.337 7.991 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -10.200 9.689 7.614 1.00 0.00 N ATOM 0 H ARG A 101 -6.425 5.081 4.950 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.748 5.201 5.945 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.510 7.349 6.779 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -5.109 7.113 5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -7.299 6.243 6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.650 7.173 7.744 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.506 9.194 6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.135 8.267 4.930 1.00 0.00 H new ATOM 0 HE ARG A 101 -9.279 8.123 6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -7.108 10.279 7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -8.471 11.006 8.672 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -10.884 9.106 7.132 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -10.509 10.374 8.304 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.667 4.805 8.338 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.397 4.199 9.655 1.00 0.00 C ATOM 1227 C ASP A 102 -2.945 5.206 10.743 1.00 0.00 C ATOM 1228 O ASP A 102 -3.074 4.897 11.931 1.00 0.00 O ATOM 1229 CB ASP A 102 -2.427 3.017 9.437 1.00 0.00 C ATOM 1230 CG ASP A 102 -1.415 2.764 10.565 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -0.405 3.496 10.642 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -1.526 1.754 11.304 1.00 0.00 O ATOM 0 H ASP A 102 -2.865 5.319 7.973 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.330 3.825 10.076 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -3.015 2.111 9.293 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.876 3.190 8.513 1.00 0.00 H new ATOM 1237 N ASP A 103 -2.519 6.426 10.383 1.00 0.00 N ATOM 1238 CA ASP A 103 -2.156 7.499 11.340 1.00 0.00 C ATOM 1239 C ASP A 103 -2.685 8.911 10.973 1.00 0.00 C ATOM 1240 O ASP A 103 -3.028 9.676 11.881 1.00 0.00 O ATOM 1241 CB ASP A 103 -0.632 7.515 11.574 1.00 0.00 C ATOM 1242 CG ASP A 103 0.217 7.932 10.368 1.00 0.00 C ATOM 1243 OD1 ASP A 103 -0.328 8.048 9.248 1.00 0.00 O ATOM 1244 OD2 ASP A 103 1.442 8.151 10.537 1.00 0.00 O ATOM 0 H ASP A 103 -2.413 6.706 9.408 1.00 0.00 H new ATOM 0 HA ASP A 103 -2.668 7.249 12.269 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.416 8.193 12.400 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.320 6.519 11.889 1.00 0.00 H new ATOM 1249 N ASN A 104 -2.823 9.245 9.688 1.00 0.00 N ATOM 1250 CA ASN A 104 -3.435 10.478 9.162 1.00 0.00 C ATOM 1251 C ASN A 104 -4.199 10.213 7.857 1.00 0.00 C ATOM 1252 O ASN A 104 -5.380 10.622 7.818 1.00 0.00 O ATOM 1253 CB ASN A 104 -2.358 11.576 8.964 1.00 0.00 C ATOM 1254 CG ASN A 104 -2.890 12.972 8.627 1.00 0.00 C ATOM 1255 OD1 ASN A 104 -2.163 13.953 8.673 1.00 0.00 O ATOM 1256 ND2 ASN A 104 -4.144 13.142 8.261 1.00 0.00 N ATOM 0 H ASN A 104 -2.494 8.632 8.942 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.158 10.834 9.896 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.762 11.644 9.874 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.686 11.261 8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.485 14.074 8.025 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.774 12.342 8.213 1.00 0.00 H new TER 1263 ASN A 104