USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 843 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 100 SER OG : rot 180:sc= -0.0747 USER MOD Set 1.2: A 106 SER OG : rot -170:sc= -0.104 USER MOD Set 2.1: A 92 SER OG : rot -67:sc= 0.24 USER MOD Set 2.2: A 97 THR OG1 : rot -61:sc= -3.5! USER MOD Set 3.1: A 75 GLN : amide:sc= -1.18 K(o=-1.2,f=-6!) USER MOD Set 3.2: A 82 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 57 TYR OH : rot -97:sc= 1.1 USER MOD Set 4.2: A 70 ASN : amide:sc= 0.681 K(o=1.8,f=-1.5) USER MOD Set 5.1: A 8 MET CE :methyl -146:sc= -0.0113 (180deg=-0.0319) USER MOD Set 5.2: A 78 ASN : amide:sc= -1.92! C(o=-1.9!,f=-4!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0184 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 15:sc= 0.0825 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.7! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -5.16! C(o=-5.2!,f=-19!) USER MOD Single : A 28 GLN : amide:sc= -0.975 K(o=-0.98,f=-4.5!) USER MOD Single : A 37 ASN : amide:sc= -2.22! K(o=-2.2!,f=-3.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.368 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.7!) USER MOD Single : A 54 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.6) USER MOD Single : A 56 MET CE :methyl 156:sc= -0.574 (180deg=-2.16!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -11! C(o=-11!,f=-11!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.335 K(o=-0.34,f=-2.6!) USER MOD Single : A 83 CYS SG : rot -70:sc= -1.59 USER MOD Single : A 86 TYR OH : rot 115:sc= 1.68 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 149:sc= -0.156 (180deg=-1.09) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.79) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 140:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.755 -2.109 17.446 1.00 0.00 N ATOM 2 CA GLY A 1 -15.438 -3.137 16.680 1.00 0.00 C ATOM 3 C GLY A 1 -15.798 -2.632 15.282 1.00 0.00 C ATOM 4 O GLY A 1 -16.195 -1.479 15.117 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.117 -2.105 18.421 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.734 -2.305 17.457 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.925 -1.180 17.010 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.802 -4.018 16.599 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.343 -3.444 17.204 1.00 0.00 H new ATOM 8 N SER A 2 -15.647 -3.519 14.309 1.00 0.00 N ATOM 9 CA SER A 2 -15.951 -3.177 12.930 1.00 0.00 C ATOM 10 C SER A 2 -15.766 -4.403 12.034 1.00 0.00 C ATOM 11 O SER A 2 -14.886 -5.227 12.278 1.00 0.00 O ATOM 12 CB SER A 2 -15.070 -2.024 12.441 1.00 0.00 C ATOM 13 OG SER A 2 -13.684 -2.292 12.635 1.00 0.00 O ATOM 0 H SER A 2 -15.318 -4.474 14.449 1.00 0.00 H new ATOM 0 HA SER A 2 -16.990 -2.851 12.879 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.260 -1.846 11.383 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.340 -1.111 12.971 1.00 0.00 H new ATOM 0 HG SER A 2 -13.155 -1.534 12.309 1.00 0.00 H new ATOM 19 N SER A 3 -16.609 -4.484 11.015 1.00 0.00 N ATOM 20 CA SER A 3 -16.550 -5.596 10.081 1.00 0.00 C ATOM 21 C SER A 3 -17.411 -5.294 8.853 1.00 0.00 C ATOM 22 O SER A 3 -18.555 -4.863 8.984 1.00 0.00 O ATOM 23 CB SER A 3 -17.008 -6.896 10.744 1.00 0.00 C ATOM 24 OG SER A 3 -16.491 -8.045 10.078 1.00 0.00 O ATOM 0 H SER A 3 -17.337 -3.798 10.816 1.00 0.00 H new ATOM 0 HA SER A 3 -15.514 -5.725 9.767 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.686 -6.905 11.785 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.097 -6.938 10.747 1.00 0.00 H new ATOM 0 HG SER A 3 -16.804 -8.855 10.532 1.00 0.00 H new ATOM 30 N GLY A 4 -16.827 -5.531 7.688 1.00 0.00 N ATOM 31 CA GLY A 4 -17.526 -5.290 6.437 1.00 0.00 C ATOM 32 C GLY A 4 -16.637 -4.532 5.449 1.00 0.00 C ATOM 33 O GLY A 4 -16.242 -3.397 5.709 1.00 0.00 O ATOM 0 H GLY A 4 -15.877 -5.888 7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.834 -6.240 6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.434 -4.718 6.628 1.00 0.00 H new ATOM 37 N SER A 5 -16.348 -5.191 4.337 1.00 0.00 N ATOM 38 CA SER A 5 -15.513 -4.594 3.309 1.00 0.00 C ATOM 39 C SER A 5 -15.713 -5.326 1.980 1.00 0.00 C ATOM 40 O SER A 5 -15.625 -6.552 1.924 1.00 0.00 O ATOM 41 CB SER A 5 -14.037 -4.621 3.712 1.00 0.00 C ATOM 42 OG SER A 5 -13.507 -5.944 3.706 1.00 0.00 O ATOM 0 H SER A 5 -16.677 -6.133 4.125 1.00 0.00 H new ATOM 0 HA SER A 5 -15.811 -3.552 3.191 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.463 -3.997 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.925 -4.190 4.707 1.00 0.00 H new ATOM 0 HG SER A 5 -14.121 -6.540 3.229 1.00 0.00 H new ATOM 48 N SER A 6 -15.979 -4.544 0.944 1.00 0.00 N ATOM 49 CA SER A 6 -16.192 -5.104 -0.380 1.00 0.00 C ATOM 50 C SER A 6 -15.174 -4.524 -1.363 1.00 0.00 C ATOM 51 O SER A 6 -15.438 -3.513 -2.012 1.00 0.00 O ATOM 52 CB SER A 6 -17.616 -4.832 -0.869 1.00 0.00 C ATOM 53 OG SER A 6 -18.271 -6.025 -1.293 1.00 0.00 O ATOM 0 H SER A 6 -16.052 -3.528 0.994 1.00 0.00 H new ATOM 0 HA SER A 6 -16.056 -6.184 -0.321 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.192 -4.367 -0.069 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.586 -4.121 -1.695 1.00 0.00 H new ATOM 0 HG SER A 6 -19.178 -5.810 -1.596 1.00 0.00 H new ATOM 59 N GLY A 7 -14.031 -5.189 -1.443 1.00 0.00 N ATOM 60 CA GLY A 7 -12.971 -4.753 -2.337 1.00 0.00 C ATOM 61 C GLY A 7 -11.972 -3.856 -1.604 1.00 0.00 C ATOM 62 O GLY A 7 -12.366 -2.955 -0.865 1.00 0.00 O ATOM 0 H GLY A 7 -13.815 -6.027 -0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.454 -5.622 -2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.401 -4.212 -3.180 1.00 0.00 H new ATOM 66 N MET A 8 -10.697 -4.133 -1.835 1.00 0.00 N ATOM 67 CA MET A 8 -9.637 -3.362 -1.207 1.00 0.00 C ATOM 68 C MET A 8 -8.962 -2.433 -2.218 1.00 0.00 C ATOM 69 O MET A 8 -9.228 -2.514 -3.416 1.00 0.00 O ATOM 70 CB MET A 8 -8.597 -4.314 -0.613 1.00 0.00 C ATOM 71 CG MET A 8 -9.246 -5.293 0.368 1.00 0.00 C ATOM 72 SD MET A 8 -8.076 -6.559 0.830 1.00 0.00 S ATOM 73 CE MET A 8 -7.476 -5.881 2.368 1.00 0.00 C ATOM 0 H MET A 8 -10.374 -4.881 -2.449 1.00 0.00 H new ATOM 0 HA MET A 8 -10.076 -2.751 -0.418 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.106 -4.868 -1.414 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.824 -3.740 -0.102 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.586 -4.759 1.255 1.00 0.00 H new ATOM 0 HG3 MET A 8 -10.126 -5.748 -0.088 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.423 -6.135 2.491 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.589 -4.797 2.356 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.049 -6.297 3.197 1.00 0.00 H new ATOM 83 N VAL A 9 -8.100 -1.572 -1.697 1.00 0.00 N ATOM 84 CA VAL A 9 -7.384 -0.628 -2.539 1.00 0.00 C ATOM 85 C VAL A 9 -6.094 -0.202 -1.836 1.00 0.00 C ATOM 86 O VAL A 9 -6.122 0.630 -0.930 1.00 0.00 O ATOM 87 CB VAL A 9 -8.292 0.552 -2.891 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.467 1.790 -3.249 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.252 0.187 -4.025 1.00 0.00 C ATOM 0 H VAL A 9 -7.881 -1.508 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.101 -1.095 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.889 0.789 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.136 2.614 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.844 2.070 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.833 1.569 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.886 1.043 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.680 -0.090 -4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.875 -0.653 -3.718 1.00 0.00 H new ATOM 99 N ILE A 10 -4.993 -0.790 -2.281 1.00 0.00 N ATOM 100 CA ILE A 10 -3.695 -0.481 -1.706 1.00 0.00 C ATOM 101 C ILE A 10 -3.283 0.933 -2.118 1.00 0.00 C ATOM 102 O ILE A 10 -2.409 1.106 -2.967 1.00 0.00 O ATOM 103 CB ILE A 10 -2.672 -1.555 -2.083 1.00 0.00 C ATOM 104 CG1 ILE A 10 -3.096 -2.926 -1.553 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.270 -1.166 -1.612 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.437 -2.856 -0.063 1.00 0.00 C ATOM 0 H ILE A 10 -4.973 -1.479 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.748 -0.493 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.637 -1.627 -3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.961 -3.284 -2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.293 -3.646 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.562 -1.946 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.977 -0.226 -2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.270 -1.049 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.735 -3.844 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.563 -2.521 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.256 -2.154 0.090 1.00 0.00 H new ATOM 118 N ARG A 11 -3.931 1.908 -1.499 1.00 0.00 N ATOM 119 CA ARG A 11 -3.642 3.302 -1.791 1.00 0.00 C ATOM 120 C ARG A 11 -2.132 3.548 -1.769 1.00 0.00 C ATOM 121 O ARG A 11 -1.527 3.623 -0.701 1.00 0.00 O ATOM 122 CB ARG A 11 -4.317 4.229 -0.777 1.00 0.00 C ATOM 123 CG ARG A 11 -5.835 4.038 -0.786 1.00 0.00 C ATOM 124 CD ARG A 11 -6.520 5.050 0.135 1.00 0.00 C ATOM 125 NE ARG A 11 -7.979 4.805 0.159 1.00 0.00 N ATOM 126 CZ ARG A 11 -8.788 5.183 1.159 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.284 5.826 2.221 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.100 4.918 1.096 1.00 0.00 N ATOM 0 H ARG A 11 -4.655 1.761 -0.796 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.035 3.520 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.927 4.028 0.221 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.076 5.266 -1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.213 4.151 -1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.080 3.025 -0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.113 4.971 1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.319 6.064 -0.211 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.395 4.318 -0.635 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.285 6.028 2.268 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.899 6.114 2.982 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.483 4.429 0.287 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.715 5.206 1.857 1.00 0.00 H new ATOM 142 N VAL A 12 -1.567 3.665 -2.962 1.00 0.00 N ATOM 143 CA VAL A 12 -0.139 3.901 -3.093 1.00 0.00 C ATOM 144 C VAL A 12 0.104 5.381 -3.395 1.00 0.00 C ATOM 145 O VAL A 12 -0.019 5.813 -4.540 1.00 0.00 O ATOM 146 CB VAL A 12 0.449 2.970 -4.156 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.941 3.244 -4.359 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.205 1.503 -3.796 1.00 0.00 C ATOM 0 H VAL A 12 -2.072 3.601 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 12 0.373 3.672 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.061 3.173 -5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.335 2.569 -5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.081 4.276 -4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.472 3.082 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.633 0.863 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.675 1.280 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.867 1.319 -3.725 1.00 0.00 H new ATOM 158 N PHE A 13 0.444 6.117 -2.347 1.00 0.00 N ATOM 159 CA PHE A 13 0.706 7.540 -2.485 1.00 0.00 C ATOM 160 C PHE A 13 1.965 7.788 -3.318 1.00 0.00 C ATOM 161 O PHE A 13 2.978 7.116 -3.133 1.00 0.00 O ATOM 162 CB PHE A 13 0.924 8.094 -1.076 1.00 0.00 C ATOM 163 CG PHE A 13 -0.370 8.332 -0.294 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.339 7.379 -0.276 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.549 9.498 0.383 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.539 7.600 0.450 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.750 9.719 1.109 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.719 8.765 1.127 1.00 0.00 C ATOM 0 H PHE A 13 0.544 5.755 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.131 8.025 -2.988 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.552 7.400 -0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.472 9.034 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.196 6.454 -0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.221 10.255 0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.309 6.843 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.893 10.645 1.647 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.632 8.933 1.679 1.00 0.00 H new ATOM 178 N ILE A 14 1.860 8.754 -4.218 1.00 0.00 N ATOM 179 CA ILE A 14 2.977 9.099 -5.080 1.00 0.00 C ATOM 180 C ILE A 14 3.024 10.617 -5.265 1.00 0.00 C ATOM 181 O ILE A 14 1.995 11.287 -5.190 1.00 0.00 O ATOM 182 CB ILE A 14 2.900 8.322 -6.395 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.633 8.686 -7.173 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.008 6.815 -6.149 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.979 9.216 -8.566 1.00 0.00 C ATOM 0 H ILE A 14 1.018 9.309 -4.369 1.00 0.00 H new ATOM 0 HA ILE A 14 3.919 8.804 -4.617 1.00 0.00 H new ATOM 0 HB ILE A 14 3.751 8.609 -7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.992 7.809 -7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.068 9.439 -6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.950 6.286 -7.100 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.960 6.592 -5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.191 6.492 -5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.061 9.467 -9.098 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.600 10.107 -8.472 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.523 8.452 -9.121 1.00 0.00 H new ATOM 197 N ALA A 15 4.228 11.116 -5.503 1.00 0.00 N ATOM 198 CA ALA A 15 4.422 12.543 -5.699 1.00 0.00 C ATOM 199 C ALA A 15 5.121 12.778 -7.039 1.00 0.00 C ATOM 200 O ALA A 15 6.345 12.888 -7.094 1.00 0.00 O ATOM 201 CB ALA A 15 5.211 13.118 -4.521 1.00 0.00 C ATOM 0 H ALA A 15 5.079 10.558 -5.565 1.00 0.00 H new ATOM 0 HA ALA A 15 3.463 13.060 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.356 14.188 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.658 12.951 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.181 12.625 -4.458 1.00 0.00 H new ATOM 207 N SER A 16 4.314 12.849 -8.087 1.00 0.00 N ATOM 208 CA SER A 16 4.839 13.070 -9.424 1.00 0.00 C ATOM 209 C SER A 16 6.007 14.057 -9.370 1.00 0.00 C ATOM 210 O SER A 16 7.158 13.654 -9.215 1.00 0.00 O ATOM 211 CB SER A 16 3.750 13.586 -10.366 1.00 0.00 C ATOM 212 OG SER A 16 4.283 14.414 -11.396 1.00 0.00 O ATOM 0 H SER A 16 3.299 12.757 -8.037 1.00 0.00 H new ATOM 0 HA SER A 16 5.195 12.116 -9.814 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.228 12.741 -10.814 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.013 14.149 -9.794 1.00 0.00 H new ATOM 0 HG SER A 16 3.556 14.722 -11.977 1.00 0.00 H new ATOM 218 N SER A 17 5.669 15.332 -9.503 1.00 0.00 N ATOM 219 CA SER A 17 6.675 16.380 -9.471 1.00 0.00 C ATOM 220 C SER A 17 7.375 16.392 -8.111 1.00 0.00 C ATOM 221 O SER A 17 7.041 17.198 -7.244 1.00 0.00 O ATOM 222 CB SER A 17 6.054 17.748 -9.761 1.00 0.00 C ATOM 223 OG SER A 17 6.943 18.595 -10.483 1.00 0.00 O ATOM 0 H SER A 17 4.713 15.662 -9.633 1.00 0.00 H new ATOM 0 HA SER A 17 7.410 16.173 -10.249 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.135 17.615 -10.332 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.779 18.228 -8.822 1.00 0.00 H new ATOM 0 HG SER A 17 6.509 19.458 -10.650 1.00 0.00 H new ATOM 229 N SER A 18 8.335 15.490 -7.968 1.00 0.00 N ATOM 230 CA SER A 18 9.086 15.387 -6.728 1.00 0.00 C ATOM 231 C SER A 18 10.537 15.812 -6.958 1.00 0.00 C ATOM 232 O SER A 18 11.013 16.765 -6.343 1.00 0.00 O ATOM 233 CB SER A 18 9.032 13.964 -6.168 1.00 0.00 C ATOM 234 OG SER A 18 9.946 13.779 -5.090 1.00 0.00 O ATOM 0 H SER A 18 8.610 14.824 -8.690 1.00 0.00 H new ATOM 0 HA SER A 18 8.631 16.054 -5.996 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.020 13.747 -5.826 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.260 13.253 -6.962 1.00 0.00 H new ATOM 0 HG SER A 18 9.880 12.859 -4.759 1.00 0.00 H new ATOM 240 N GLY A 19 11.200 15.085 -7.845 1.00 0.00 N ATOM 241 CA GLY A 19 12.587 15.375 -8.165 1.00 0.00 C ATOM 242 C GLY A 19 13.426 14.096 -8.177 1.00 0.00 C ATOM 243 O GLY A 19 13.971 13.716 -9.212 1.00 0.00 O ATOM 0 H GLY A 19 10.802 14.295 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.645 15.861 -9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.994 16.074 -7.435 1.00 0.00 H new ATOM 247 N PHE A 20 13.504 13.466 -7.014 1.00 0.00 N ATOM 248 CA PHE A 20 14.267 12.237 -6.877 1.00 0.00 C ATOM 249 C PHE A 20 13.733 11.153 -7.815 1.00 0.00 C ATOM 250 O PHE A 20 12.738 10.498 -7.509 1.00 0.00 O ATOM 251 CB PHE A 20 14.106 11.769 -5.430 1.00 0.00 C ATOM 252 CG PHE A 20 14.850 12.632 -4.409 1.00 0.00 C ATOM 253 CD1 PHE A 20 16.096 13.097 -4.692 1.00 0.00 C ATOM 254 CD2 PHE A 20 14.264 12.935 -3.220 1.00 0.00 C ATOM 255 CE1 PHE A 20 16.787 13.898 -3.744 1.00 0.00 C ATOM 256 CE2 PHE A 20 14.955 13.737 -2.272 1.00 0.00 C ATOM 257 CZ PHE A 20 16.202 14.201 -2.555 1.00 0.00 C ATOM 0 H PHE A 20 13.051 13.784 -6.157 1.00 0.00 H new ATOM 0 HA PHE A 20 15.311 12.417 -7.132 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.046 11.760 -5.178 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.462 10.742 -5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.560 12.857 -5.637 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.274 12.566 -2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.777 14.266 -3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.490 13.978 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.728 14.810 -1.835 1.00 0.00 H new ATOM 267 N VAL A 21 14.418 10.997 -8.938 1.00 0.00 N ATOM 268 CA VAL A 21 14.024 10.003 -9.923 1.00 0.00 C ATOM 269 C VAL A 21 13.965 8.627 -9.256 1.00 0.00 C ATOM 270 O VAL A 21 13.173 7.774 -9.654 1.00 0.00 O ATOM 271 CB VAL A 21 14.976 10.047 -11.120 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.253 9.255 -10.834 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.286 9.537 -12.387 1.00 0.00 C ATOM 0 H VAL A 21 15.243 11.542 -9.188 1.00 0.00 H new ATOM 0 HA VAL A 21 13.028 10.221 -10.309 1.00 0.00 H new ATOM 0 HB VAL A 21 15.258 11.087 -11.287 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.912 9.302 -11.701 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.760 9.682 -9.969 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.998 8.215 -10.629 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.984 9.579 -13.223 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.962 8.507 -12.236 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.420 10.161 -12.606 1.00 0.00 H new ATOM 283 N ALA A 22 14.813 8.453 -8.254 1.00 0.00 N ATOM 284 CA ALA A 22 14.867 7.196 -7.528 1.00 0.00 C ATOM 285 C ALA A 22 13.463 6.829 -7.045 1.00 0.00 C ATOM 286 O ALA A 22 13.006 5.705 -7.247 1.00 0.00 O ATOM 287 CB ALA A 22 15.868 7.313 -6.376 1.00 0.00 C ATOM 0 H ALA A 22 15.469 9.162 -7.927 1.00 0.00 H new ATOM 0 HA ALA A 22 15.212 6.393 -8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.908 6.370 -5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.856 7.544 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.554 8.109 -5.700 1.00 0.00 H new ATOM 293 N ILE A 23 12.816 7.800 -6.417 1.00 0.00 N ATOM 294 CA ILE A 23 11.472 7.594 -5.904 1.00 0.00 C ATOM 295 C ILE A 23 10.576 7.071 -7.028 1.00 0.00 C ATOM 296 O ILE A 23 9.855 6.091 -6.848 1.00 0.00 O ATOM 297 CB ILE A 23 10.949 8.871 -5.244 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.703 9.166 -3.945 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.437 8.794 -5.023 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.236 10.485 -3.327 1.00 0.00 C ATOM 0 H ILE A 23 13.198 8.731 -6.252 1.00 0.00 H new ATOM 0 HA ILE A 23 11.475 6.836 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 23 11.134 9.705 -5.921 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.546 8.353 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.774 9.213 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.091 9.714 -4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.935 8.666 -5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.206 7.947 -4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.788 10.670 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.417 11.300 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.170 10.426 -3.106 1.00 0.00 H new ATOM 312 N LYS A 24 10.650 7.749 -8.164 1.00 0.00 N ATOM 313 CA LYS A 24 9.855 7.366 -9.318 1.00 0.00 C ATOM 314 C LYS A 24 9.926 5.848 -9.500 1.00 0.00 C ATOM 315 O LYS A 24 8.913 5.159 -9.397 1.00 0.00 O ATOM 316 CB LYS A 24 10.290 8.154 -10.555 1.00 0.00 C ATOM 317 CG LYS A 24 9.277 9.252 -10.890 1.00 0.00 C ATOM 318 CD LYS A 24 9.206 9.490 -12.400 1.00 0.00 C ATOM 319 CE LYS A 24 9.064 10.980 -12.714 1.00 0.00 C ATOM 320 NZ LYS A 24 8.224 11.179 -13.916 1.00 0.00 N ATOM 0 H LYS A 24 11.249 8.562 -8.310 1.00 0.00 H new ATOM 0 HA LYS A 24 8.807 7.620 -9.159 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.270 8.599 -10.381 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.393 7.478 -11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.293 8.970 -10.516 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.557 10.177 -10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.105 9.098 -12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.360 8.944 -12.818 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.620 11.496 -11.863 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.049 11.419 -12.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.138 12.196 -14.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.664 10.703 -14.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.279 10.778 -13.749 1.00 0.00 H new ATOM 334 N LYS A 25 11.134 5.373 -9.767 1.00 0.00 N ATOM 335 CA LYS A 25 11.351 3.950 -9.965 1.00 0.00 C ATOM 336 C LYS A 25 10.613 3.170 -8.874 1.00 0.00 C ATOM 337 O LYS A 25 9.797 2.299 -9.172 1.00 0.00 O ATOM 338 CB LYS A 25 12.847 3.641 -10.036 1.00 0.00 C ATOM 339 CG LYS A 25 13.468 4.228 -11.305 1.00 0.00 C ATOM 340 CD LYS A 25 14.443 3.239 -11.948 1.00 0.00 C ATOM 341 CE LYS A 25 15.842 3.848 -12.068 1.00 0.00 C ATOM 342 NZ LYS A 25 16.431 3.536 -13.389 1.00 0.00 N ATOM 0 H LYS A 25 11.972 5.948 -9.851 1.00 0.00 H new ATOM 0 HA LYS A 25 10.938 3.631 -10.922 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.348 4.050 -9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.001 2.562 -10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.681 4.482 -12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.990 5.154 -11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.489 2.328 -11.351 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.080 2.955 -12.936 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.788 4.928 -11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.483 3.460 -11.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.380 3.956 -13.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.501 2.505 -13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.827 3.927 -14.140 1.00 0.00 H new ATOM 356 N LYS A 26 10.928 3.510 -7.633 1.00 0.00 N ATOM 357 CA LYS A 26 10.305 2.853 -6.496 1.00 0.00 C ATOM 358 C LYS A 26 8.785 2.889 -6.661 1.00 0.00 C ATOM 359 O LYS A 26 8.124 1.854 -6.584 1.00 0.00 O ATOM 360 CB LYS A 26 10.796 3.471 -5.185 1.00 0.00 C ATOM 361 CG LYS A 26 12.315 3.347 -5.055 1.00 0.00 C ATOM 362 CD LYS A 26 12.830 4.140 -3.852 1.00 0.00 C ATOM 363 CE LYS A 26 14.312 3.857 -3.602 1.00 0.00 C ATOM 364 NZ LYS A 26 14.700 4.290 -2.240 1.00 0.00 N ATOM 0 H LYS A 26 11.606 4.232 -7.390 1.00 0.00 H new ATOM 0 HA LYS A 26 10.597 1.804 -6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.509 4.522 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.314 2.976 -4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.590 2.298 -4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.792 3.710 -5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.684 5.206 -4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.252 3.879 -2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.510 2.792 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.918 4.379 -4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.709 4.091 -2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.529 5.311 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.134 3.773 -1.537 1.00 0.00 H new ATOM 378 N GLN A 27 8.274 4.091 -6.886 1.00 0.00 N ATOM 379 CA GLN A 27 6.844 4.275 -7.063 1.00 0.00 C ATOM 380 C GLN A 27 6.302 3.274 -8.087 1.00 0.00 C ATOM 381 O GLN A 27 5.186 2.779 -7.945 1.00 0.00 O ATOM 382 CB GLN A 27 6.523 5.712 -7.479 1.00 0.00 C ATOM 383 CG GLN A 27 6.799 6.688 -6.334 1.00 0.00 C ATOM 384 CD GLN A 27 6.259 8.082 -6.659 1.00 0.00 C ATOM 385 OE1 GLN A 27 5.670 8.757 -5.831 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.490 8.474 -7.909 1.00 0.00 N ATOM 0 H GLN A 27 8.825 4.947 -6.950 1.00 0.00 H new ATOM 0 HA GLN A 27 6.353 4.090 -6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.122 5.986 -8.347 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.477 5.783 -7.778 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.337 6.320 -5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.872 6.744 -6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.989 7.860 -8.552 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.168 9.389 -8.224 1.00 0.00 H new ATOM 395 N GLN A 28 7.119 3.008 -9.095 1.00 0.00 N ATOM 396 CA GLN A 28 6.737 2.075 -10.142 1.00 0.00 C ATOM 397 C GLN A 28 6.738 0.643 -9.604 1.00 0.00 C ATOM 398 O GLN A 28 5.683 0.023 -9.476 1.00 0.00 O ATOM 399 CB GLN A 28 7.658 2.206 -11.356 1.00 0.00 C ATOM 400 CG GLN A 28 7.523 3.586 -12.002 1.00 0.00 C ATOM 401 CD GLN A 28 8.842 4.023 -12.644 1.00 0.00 C ATOM 402 OE1 GLN A 28 9.488 4.966 -12.216 1.00 0.00 O ATOM 403 NE2 GLN A 28 9.203 3.287 -13.691 1.00 0.00 N ATOM 0 H GLN A 28 8.044 3.422 -9.209 1.00 0.00 H new ATOM 0 HA GLN A 28 5.726 2.319 -10.467 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.692 2.043 -11.052 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.415 1.434 -12.086 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.737 3.563 -12.757 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.221 4.315 -11.250 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.615 2.511 -13.996 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.068 3.498 -14.189 1.00 0.00 H new ATOM 412 N ASP A 29 7.934 0.159 -9.303 1.00 0.00 N ATOM 413 CA ASP A 29 8.086 -1.188 -8.781 1.00 0.00 C ATOM 414 C ASP A 29 6.939 -1.489 -7.814 1.00 0.00 C ATOM 415 O ASP A 29 6.512 -2.636 -7.689 1.00 0.00 O ATOM 416 CB ASP A 29 9.402 -1.337 -8.015 1.00 0.00 C ATOM 417 CG ASP A 29 10.150 -2.648 -8.263 1.00 0.00 C ATOM 418 OD1 ASP A 29 9.555 -3.525 -8.926 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.301 -2.745 -7.784 1.00 0.00 O ATOM 0 H ASP A 29 8.807 0.676 -9.411 1.00 0.00 H new ATOM 0 HA ASP A 29 8.080 -1.879 -9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.056 -0.507 -8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.196 -1.250 -6.948 1.00 0.00 H new ATOM 424 N VAL A 30 6.473 -0.439 -7.154 1.00 0.00 N ATOM 425 CA VAL A 30 5.384 -0.576 -6.202 1.00 0.00 C ATOM 426 C VAL A 30 4.116 -1.004 -6.943 1.00 0.00 C ATOM 427 O VAL A 30 3.615 -2.108 -6.736 1.00 0.00 O ATOM 428 CB VAL A 30 5.208 0.726 -5.418 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.907 0.709 -4.613 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.412 0.985 -4.509 1.00 0.00 C ATOM 0 H VAL A 30 6.830 0.511 -7.260 1.00 0.00 H new ATOM 0 HA VAL A 30 5.611 -1.352 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 30 5.147 1.544 -6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.806 1.646 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.061 0.592 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.926 -0.123 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.262 1.916 -3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.517 0.162 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.315 1.061 -5.114 1.00 0.00 H new ATOM 440 N VAL A 31 3.633 -0.107 -7.791 1.00 0.00 N ATOM 441 CA VAL A 31 2.433 -0.378 -8.563 1.00 0.00 C ATOM 442 C VAL A 31 2.703 -1.533 -9.529 1.00 0.00 C ATOM 443 O VAL A 31 1.930 -2.488 -9.592 1.00 0.00 O ATOM 444 CB VAL A 31 1.967 0.896 -9.270 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.218 2.129 -8.400 1.00 0.00 C ATOM 446 CG2 VAL A 31 2.640 1.043 -10.636 1.00 0.00 C ATOM 0 H VAL A 31 4.051 0.808 -7.960 1.00 0.00 H new ATOM 0 HA VAL A 31 1.619 -0.686 -7.907 1.00 0.00 H new ATOM 0 HB VAL A 31 0.892 0.814 -9.433 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.878 3.021 -8.926 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.671 2.030 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.284 2.216 -8.191 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.291 1.957 -11.117 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.721 1.092 -10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.388 0.185 -11.260 1.00 0.00 H new ATOM 456 N ARG A 32 3.802 -1.408 -10.258 1.00 0.00 N ATOM 457 CA ARG A 32 4.184 -2.429 -11.218 1.00 0.00 C ATOM 458 C ARG A 32 3.901 -3.822 -10.652 1.00 0.00 C ATOM 459 O ARG A 32 3.261 -4.644 -11.307 1.00 0.00 O ATOM 460 CB ARG A 32 5.668 -2.323 -11.575 1.00 0.00 C ATOM 461 CG ARG A 32 5.965 -1.010 -12.301 1.00 0.00 C ATOM 462 CD ARG A 32 6.199 -1.249 -13.794 1.00 0.00 C ATOM 463 NE ARG A 32 6.462 0.037 -14.478 1.00 0.00 N ATOM 464 CZ ARG A 32 5.520 0.953 -14.744 1.00 0.00 C ATOM 465 NH1 ARG A 32 4.248 0.730 -14.385 1.00 0.00 N ATOM 466 NH2 ARG A 32 5.851 2.091 -15.368 1.00 0.00 N ATOM 0 H ARG A 32 4.440 -0.614 -10.203 1.00 0.00 H new ATOM 0 HA ARG A 32 3.593 -2.272 -12.121 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.269 -2.385 -10.668 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.955 -3.164 -12.206 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.133 -0.319 -12.166 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.845 -0.539 -11.862 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.043 -1.924 -13.935 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.327 -1.733 -14.234 1.00 0.00 H new ATOM 0 HE ARG A 32 7.420 0.239 -14.765 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.997 -0.137 -13.909 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.531 1.427 -14.587 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.819 2.260 -15.640 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.135 2.788 -15.571 1.00 0.00 H new ATOM 480 N PHE A 33 4.391 -4.045 -9.441 1.00 0.00 N ATOM 481 CA PHE A 33 4.199 -5.324 -8.780 1.00 0.00 C ATOM 482 C PHE A 33 2.711 -5.637 -8.613 1.00 0.00 C ATOM 483 O PHE A 33 2.257 -6.722 -8.972 1.00 0.00 O ATOM 484 CB PHE A 33 4.843 -5.213 -7.396 1.00 0.00 C ATOM 485 CG PHE A 33 4.962 -6.547 -6.657 1.00 0.00 C ATOM 486 CD1 PHE A 33 3.888 -7.056 -5.995 1.00 0.00 C ATOM 487 CD2 PHE A 33 6.142 -7.224 -6.661 1.00 0.00 C ATOM 488 CE1 PHE A 33 3.999 -8.294 -5.309 1.00 0.00 C ATOM 489 CE2 PHE A 33 6.252 -8.462 -5.974 1.00 0.00 C ATOM 490 CZ PHE A 33 5.179 -8.971 -5.313 1.00 0.00 C ATOM 0 H PHE A 33 4.921 -3.361 -8.901 1.00 0.00 H new ATOM 0 HA PHE A 33 4.646 -6.121 -9.374 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.837 -4.778 -7.503 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.257 -4.523 -6.788 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.951 -6.518 -5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.995 -6.820 -7.186 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.146 -8.698 -4.784 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.189 -8.999 -5.977 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.263 -9.913 -4.791 1.00 0.00 H new ATOM 500 N LEU A 34 1.992 -4.666 -8.068 1.00 0.00 N ATOM 501 CA LEU A 34 0.564 -4.824 -7.849 1.00 0.00 C ATOM 502 C LEU A 34 -0.121 -5.127 -9.183 1.00 0.00 C ATOM 503 O LEU A 34 -0.931 -6.048 -9.274 1.00 0.00 O ATOM 504 CB LEU A 34 -0.006 -3.601 -7.128 1.00 0.00 C ATOM 505 CG LEU A 34 0.716 -3.181 -5.847 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.349 -1.748 -5.455 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.445 -4.173 -4.714 1.00 0.00 C ATOM 0 H LEU A 34 2.372 -3.767 -7.772 1.00 0.00 H new ATOM 0 HA LEU A 34 0.370 -5.671 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.004 -2.759 -7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.049 -3.801 -6.884 1.00 0.00 H new ATOM 0 HG LEU A 34 1.789 -3.197 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.876 -1.475 -4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.635 -1.067 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.726 -1.680 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.970 -3.851 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.626 -4.213 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.797 -5.163 -5.005 1.00 0.00 H new ATOM 519 N GLU A 35 0.229 -4.334 -10.185 1.00 0.00 N ATOM 520 CA GLU A 35 -0.342 -4.505 -11.510 1.00 0.00 C ATOM 521 C GLU A 35 -0.030 -5.904 -12.046 1.00 0.00 C ATOM 522 O GLU A 35 -0.922 -6.601 -12.527 1.00 0.00 O ATOM 523 CB GLU A 35 0.163 -3.425 -12.469 1.00 0.00 C ATOM 524 CG GLU A 35 -0.465 -2.068 -12.146 1.00 0.00 C ATOM 525 CD GLU A 35 -1.958 -2.061 -12.480 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.731 -2.558 -11.633 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.292 -1.559 -13.575 1.00 0.00 O ATOM 0 H GLU A 35 0.901 -3.571 -10.106 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.424 -4.399 -11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.249 -3.353 -12.402 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.075 -3.705 -13.495 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.324 -1.840 -11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.041 -1.285 -12.711 1.00 0.00 H new ATOM 534 N ALA A 36 1.239 -6.272 -11.945 1.00 0.00 N ATOM 535 CA ALA A 36 1.679 -7.575 -12.414 1.00 0.00 C ATOM 536 C ALA A 36 1.071 -8.663 -11.527 1.00 0.00 C ATOM 537 O ALA A 36 0.946 -9.813 -11.947 1.00 0.00 O ATOM 538 CB ALA A 36 3.209 -7.622 -12.428 1.00 0.00 C ATOM 0 H ALA A 36 1.976 -5.691 -11.546 1.00 0.00 H new ATOM 0 HA ALA A 36 1.337 -7.752 -13.434 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.540 -8.599 -12.780 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.591 -6.848 -13.094 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.587 -7.452 -11.420 1.00 0.00 H new ATOM 544 N ASN A 37 0.708 -8.263 -10.318 1.00 0.00 N ATOM 545 CA ASN A 37 0.116 -9.190 -9.368 1.00 0.00 C ATOM 546 C ASN A 37 -1.397 -8.965 -9.319 1.00 0.00 C ATOM 547 O ASN A 37 -2.082 -9.519 -8.461 1.00 0.00 O ATOM 548 CB ASN A 37 0.673 -8.968 -7.961 1.00 0.00 C ATOM 549 CG ASN A 37 2.019 -9.675 -7.786 1.00 0.00 C ATOM 550 OD1 ASN A 37 2.095 -10.845 -7.448 1.00 0.00 O ATOM 551 ND2 ASN A 37 3.072 -8.903 -8.035 1.00 0.00 N ATOM 0 H ASN A 37 0.812 -7.309 -9.974 1.00 0.00 H new ATOM 0 HA ASN A 37 0.353 -10.203 -9.693 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.793 -7.900 -7.778 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.036 -9.341 -7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.015 -9.282 -7.947 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.937 -7.931 -8.314 1.00 0.00 H new ATOM 558 N LYS A 38 -1.873 -8.151 -10.250 1.00 0.00 N ATOM 559 CA LYS A 38 -3.292 -7.846 -10.323 1.00 0.00 C ATOM 560 C LYS A 38 -3.819 -7.552 -8.917 1.00 0.00 C ATOM 561 O LYS A 38 -4.834 -8.109 -8.502 1.00 0.00 O ATOM 562 CB LYS A 38 -4.045 -8.969 -11.039 1.00 0.00 C ATOM 563 CG LYS A 38 -3.747 -8.958 -12.540 1.00 0.00 C ATOM 564 CD LYS A 38 -4.560 -7.876 -13.253 1.00 0.00 C ATOM 565 CE LYS A 38 -5.963 -8.380 -13.596 1.00 0.00 C ATOM 566 NZ LYS A 38 -6.988 -7.576 -12.894 1.00 0.00 N ATOM 0 H LYS A 38 -1.301 -7.693 -10.960 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.459 -6.950 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.759 -9.932 -10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.117 -8.855 -10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.683 -8.784 -12.702 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.979 -9.933 -12.968 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.632 -6.993 -12.618 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.046 -7.572 -14.165 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.123 -8.324 -14.673 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.058 -9.428 -13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.935 -7.931 -13.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.844 -7.651 -11.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.907 -6.580 -13.184 1.00 0.00 H new ATOM 580 N ILE A 39 -3.105 -6.677 -8.223 1.00 0.00 N ATOM 581 CA ILE A 39 -3.488 -6.302 -6.873 1.00 0.00 C ATOM 582 C ILE A 39 -4.171 -4.933 -6.903 1.00 0.00 C ATOM 583 O ILE A 39 -3.806 -4.071 -7.701 1.00 0.00 O ATOM 584 CB ILE A 39 -2.281 -6.367 -5.936 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.810 -7.811 -5.747 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.586 -5.685 -4.600 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.539 -7.866 -4.897 1.00 0.00 C ATOM 0 H ILE A 39 -2.264 -6.217 -8.571 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.212 -7.011 -6.471 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.461 -5.818 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.597 -8.394 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.622 -8.266 -6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.711 -5.746 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.837 -4.639 -4.774 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.428 -6.185 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.226 -8.903 -4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.253 -7.302 -5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.738 -7.432 -3.917 1.00 0.00 H new ATOM 599 N GLU A 40 -5.149 -4.776 -6.023 1.00 0.00 N ATOM 600 CA GLU A 40 -5.886 -3.527 -5.939 1.00 0.00 C ATOM 601 C GLU A 40 -5.008 -2.433 -5.328 1.00 0.00 C ATOM 602 O GLU A 40 -4.240 -2.693 -4.403 1.00 0.00 O ATOM 603 CB GLU A 40 -7.177 -3.704 -5.137 1.00 0.00 C ATOM 604 CG GLU A 40 -8.370 -3.942 -6.066 1.00 0.00 C ATOM 605 CD GLU A 40 -8.446 -5.409 -6.495 1.00 0.00 C ATOM 606 OE1 GLU A 40 -8.743 -6.244 -5.614 1.00 0.00 O ATOM 607 OE2 GLU A 40 -8.206 -5.662 -7.696 1.00 0.00 O ATOM 0 H GLU A 40 -5.448 -5.493 -5.362 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.163 -3.223 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.071 -4.545 -4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.356 -2.818 -4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.293 -3.659 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.282 -3.306 -6.947 1.00 0.00 H new ATOM 614 N PHE A 41 -5.151 -1.232 -5.870 1.00 0.00 N ATOM 615 CA PHE A 41 -4.380 -0.098 -5.389 1.00 0.00 C ATOM 616 C PHE A 41 -4.707 1.165 -6.188 1.00 0.00 C ATOM 617 O PHE A 41 -5.428 1.105 -7.184 1.00 0.00 O ATOM 618 CB PHE A 41 -2.903 -0.444 -5.588 1.00 0.00 C ATOM 619 CG PHE A 41 -2.431 -0.345 -7.040 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.193 0.873 -7.596 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.249 -1.475 -7.775 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.754 0.965 -8.944 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.811 -1.384 -9.122 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.573 -0.165 -9.678 1.00 0.00 C ATOM 0 H PHE A 41 -5.789 -1.020 -6.637 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.615 0.095 -4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.298 0.223 -4.974 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.726 -1.457 -5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.338 1.770 -7.013 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.438 -2.442 -7.333 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.564 1.932 -9.386 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.667 -2.281 -9.705 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.240 -0.095 -10.703 1.00 0.00 H new ATOM 634 N GLU A 42 -4.162 2.279 -5.722 1.00 0.00 N ATOM 635 CA GLU A 42 -4.387 3.555 -6.381 1.00 0.00 C ATOM 636 C GLU A 42 -3.183 4.476 -6.179 1.00 0.00 C ATOM 637 O GLU A 42 -2.612 4.528 -5.091 1.00 0.00 O ATOM 638 CB GLU A 42 -5.672 4.214 -5.875 1.00 0.00 C ATOM 639 CG GLU A 42 -5.583 4.512 -4.377 1.00 0.00 C ATOM 640 CD GLU A 42 -6.600 5.580 -3.969 1.00 0.00 C ATOM 641 OE1 GLU A 42 -6.411 6.738 -4.399 1.00 0.00 O ATOM 642 OE2 GLU A 42 -7.544 5.213 -3.236 1.00 0.00 O ATOM 0 H GLU A 42 -3.565 2.325 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.506 3.374 -7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.851 5.139 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.521 3.559 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.762 3.599 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.577 4.849 -4.129 1.00 0.00 H new ATOM 649 N GLU A 43 -2.832 5.181 -7.245 1.00 0.00 N ATOM 650 CA GLU A 43 -1.706 6.097 -7.199 1.00 0.00 C ATOM 651 C GLU A 43 -2.153 7.463 -6.673 1.00 0.00 C ATOM 652 O GLU A 43 -2.371 8.391 -7.450 1.00 0.00 O ATOM 653 CB GLU A 43 -1.048 6.229 -8.574 1.00 0.00 C ATOM 654 CG GLU A 43 -0.213 4.990 -8.903 1.00 0.00 C ATOM 655 CD GLU A 43 -0.087 4.799 -10.416 1.00 0.00 C ATOM 656 OE1 GLU A 43 0.660 5.593 -11.028 1.00 0.00 O ATOM 657 OE2 GLU A 43 -0.740 3.863 -10.926 1.00 0.00 O ATOM 0 H GLU A 43 -3.308 5.136 -8.146 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.962 5.691 -6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.815 6.368 -9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.414 7.115 -8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.779 5.088 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.674 4.108 -8.459 1.00 0.00 H new ATOM 664 N VAL A 44 -2.278 7.542 -5.356 1.00 0.00 N ATOM 665 CA VAL A 44 -2.696 8.778 -4.717 1.00 0.00 C ATOM 666 C VAL A 44 -1.615 9.842 -4.918 1.00 0.00 C ATOM 667 O VAL A 44 -0.671 9.928 -4.135 1.00 0.00 O ATOM 668 CB VAL A 44 -3.017 8.523 -3.243 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.306 9.834 -2.510 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.184 7.544 -3.097 1.00 0.00 C ATOM 0 H VAL A 44 -2.097 6.770 -4.714 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.611 9.154 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.139 8.069 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.531 9.624 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.433 10.484 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.160 10.329 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.391 7.380 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.069 7.958 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.924 6.595 -3.567 1.00 0.00 H new ATOM 680 N ASP A 45 -1.790 10.625 -5.972 1.00 0.00 N ATOM 681 CA ASP A 45 -0.841 11.680 -6.286 1.00 0.00 C ATOM 682 C ASP A 45 -0.858 12.725 -5.169 1.00 0.00 C ATOM 683 O ASP A 45 -1.698 13.623 -5.167 1.00 0.00 O ATOM 684 CB ASP A 45 -1.210 12.382 -7.595 1.00 0.00 C ATOM 685 CG ASP A 45 -0.125 13.297 -8.166 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.610 13.887 -7.345 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.055 13.386 -9.411 1.00 0.00 O ATOM 0 H ASP A 45 -2.575 10.550 -6.619 1.00 0.00 H new ATOM 0 HA ASP A 45 0.145 11.227 -6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.454 11.624 -8.340 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.112 12.971 -7.432 1.00 0.00 H new ATOM 692 N ILE A 46 0.080 12.573 -4.245 1.00 0.00 N ATOM 693 CA ILE A 46 0.183 13.492 -3.124 1.00 0.00 C ATOM 694 C ILE A 46 0.624 14.865 -3.635 1.00 0.00 C ATOM 695 O ILE A 46 0.204 15.892 -3.106 1.00 0.00 O ATOM 696 CB ILE A 46 1.097 12.915 -2.041 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.559 12.932 -2.491 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.641 11.515 -1.627 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.449 12.189 -1.493 1.00 0.00 C ATOM 0 H ILE A 46 0.776 11.827 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.789 13.626 -2.650 1.00 0.00 H new ATOM 0 HB ILE A 46 1.024 13.551 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.646 12.470 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.900 13.962 -2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.308 11.128 -0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.375 11.564 -1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.665 10.854 -2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.483 12.216 -1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.379 12.668 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.120 11.153 -1.414 1.00 0.00 H new ATOM 711 N THR A 47 1.466 14.837 -4.658 1.00 0.00 N ATOM 712 CA THR A 47 1.969 16.067 -5.246 1.00 0.00 C ATOM 713 C THR A 47 0.811 16.936 -5.738 1.00 0.00 C ATOM 714 O THR A 47 0.778 18.138 -5.480 1.00 0.00 O ATOM 715 CB THR A 47 2.960 15.692 -6.351 1.00 0.00 C ATOM 716 OG1 THR A 47 4.237 15.956 -5.777 1.00 0.00 O ATOM 717 CG2 THR A 47 2.886 16.640 -7.549 1.00 0.00 C ATOM 0 H THR A 47 1.812 13.983 -5.094 1.00 0.00 H new ATOM 0 HA THR A 47 2.496 16.671 -4.508 1.00 0.00 H new ATOM 0 HB THR A 47 2.765 14.672 -6.683 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.939 15.739 -6.426 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.609 16.330 -8.304 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.883 16.612 -7.974 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.114 17.655 -7.224 1.00 0.00 H new ATOM 725 N MET A 48 -0.113 16.293 -6.438 1.00 0.00 N ATOM 726 CA MET A 48 -1.271 16.993 -6.969 1.00 0.00 C ATOM 727 C MET A 48 -2.221 17.411 -5.845 1.00 0.00 C ATOM 728 O MET A 48 -2.561 18.586 -5.720 1.00 0.00 O ATOM 729 CB MET A 48 -2.011 16.083 -7.952 1.00 0.00 C ATOM 730 CG MET A 48 -1.243 15.960 -9.270 1.00 0.00 C ATOM 731 SD MET A 48 -1.502 17.420 -10.265 1.00 0.00 S ATOM 732 CE MET A 48 -0.158 17.245 -11.426 1.00 0.00 C ATOM 0 H MET A 48 -0.083 15.296 -6.650 1.00 0.00 H new ATOM 0 HA MET A 48 -0.927 17.891 -7.481 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.143 15.095 -7.510 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.007 16.482 -8.143 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.179 15.830 -9.070 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.576 15.076 -9.813 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.171 18.080 -12.127 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.790 17.238 -10.887 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.270 16.310 -11.974 1.00 0.00 H new ATOM 742 N SER A 49 -2.624 16.425 -5.057 1.00 0.00 N ATOM 743 CA SER A 49 -3.529 16.676 -3.948 1.00 0.00 C ATOM 744 C SER A 49 -2.730 16.931 -2.668 1.00 0.00 C ATOM 745 O SER A 49 -2.214 15.996 -2.057 1.00 0.00 O ATOM 746 CB SER A 49 -4.492 15.505 -3.747 1.00 0.00 C ATOM 747 OG SER A 49 -5.585 15.549 -4.662 1.00 0.00 O ATOM 0 H SER A 49 -2.341 15.451 -5.164 1.00 0.00 H new ATOM 0 HA SER A 49 -4.120 17.561 -4.183 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.952 14.566 -3.872 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.873 15.520 -2.726 1.00 0.00 H new ATOM 0 HG SER A 49 -6.176 14.784 -4.503 1.00 0.00 H new ATOM 753 N GLU A 50 -2.652 18.201 -2.300 1.00 0.00 N ATOM 754 CA GLU A 50 -1.925 18.591 -1.104 1.00 0.00 C ATOM 755 C GLU A 50 -2.420 17.792 0.103 1.00 0.00 C ATOM 756 O GLU A 50 -1.636 17.120 0.771 1.00 0.00 O ATOM 757 CB GLU A 50 -2.047 20.095 -0.854 1.00 0.00 C ATOM 758 CG GLU A 50 -1.401 20.484 0.478 1.00 0.00 C ATOM 759 CD GLU A 50 -0.562 21.755 0.329 1.00 0.00 C ATOM 760 OE1 GLU A 50 -1.145 22.773 -0.102 1.00 0.00 O ATOM 761 OE2 GLU A 50 0.644 21.680 0.650 1.00 0.00 O ATOM 0 H GLU A 50 -3.081 18.974 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.869 18.366 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.570 20.642 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.098 20.382 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.175 20.641 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.772 19.668 0.833 1.00 0.00 H new ATOM 768 N GLU A 51 -3.719 17.891 0.344 1.00 0.00 N ATOM 769 CA GLU A 51 -4.329 17.185 1.459 1.00 0.00 C ATOM 770 C GLU A 51 -3.739 15.779 1.583 1.00 0.00 C ATOM 771 O GLU A 51 -3.115 15.451 2.591 1.00 0.00 O ATOM 772 CB GLU A 51 -5.850 17.130 1.307 1.00 0.00 C ATOM 773 CG GLU A 51 -6.528 16.889 2.658 1.00 0.00 C ATOM 774 CD GLU A 51 -8.012 16.564 2.476 1.00 0.00 C ATOM 775 OE1 GLU A 51 -8.785 17.528 2.290 1.00 0.00 O ATOM 776 OE2 GLU A 51 -8.339 15.359 2.528 1.00 0.00 O ATOM 0 H GLU A 51 -4.366 18.449 -0.213 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.108 17.733 2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.210 18.065 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.121 16.334 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.033 16.068 3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.420 17.773 3.286 1.00 0.00 H new ATOM 783 N GLN A 52 -3.957 14.986 0.544 1.00 0.00 N ATOM 784 CA GLN A 52 -3.455 13.623 0.525 1.00 0.00 C ATOM 785 C GLN A 52 -2.070 13.558 1.171 1.00 0.00 C ATOM 786 O GLN A 52 -1.855 12.796 2.112 1.00 0.00 O ATOM 787 CB GLN A 52 -3.421 13.072 -0.902 1.00 0.00 C ATOM 788 CG GLN A 52 -4.835 12.936 -1.471 1.00 0.00 C ATOM 789 CD GLN A 52 -5.678 11.982 -0.623 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.760 10.792 -0.877 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.299 12.570 0.396 1.00 0.00 N ATOM 0 H GLN A 52 -4.475 15.262 -0.291 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.134 12.998 1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.832 13.733 -1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.927 12.100 -0.909 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.312 13.915 -1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.785 12.569 -2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.187 13.572 0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.887 12.019 1.021 1.00 0.00 H new ATOM 800 N ARG A 53 -1.166 14.367 0.639 1.00 0.00 N ATOM 801 CA ARG A 53 0.193 14.412 1.152 1.00 0.00 C ATOM 802 C ARG A 53 0.184 14.710 2.653 1.00 0.00 C ATOM 803 O ARG A 53 0.782 13.977 3.439 1.00 0.00 O ATOM 804 CB ARG A 53 1.019 15.479 0.432 1.00 0.00 C ATOM 805 CG ARG A 53 2.517 15.255 0.654 1.00 0.00 C ATOM 806 CD ARG A 53 3.346 16.245 -0.167 1.00 0.00 C ATOM 807 NE ARG A 53 3.488 17.520 0.571 1.00 0.00 N ATOM 808 CZ ARG A 53 2.594 18.516 0.527 1.00 0.00 C ATOM 809 NH1 ARG A 53 1.487 18.391 -0.218 1.00 0.00 N ATOM 810 NH2 ARG A 53 2.805 19.638 1.229 1.00 0.00 N ATOM 0 H ARG A 53 -1.348 14.997 -0.142 1.00 0.00 H new ATOM 0 HA ARG A 53 0.647 13.437 0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.798 15.456 -0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.738 16.468 0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.752 15.368 1.712 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.781 14.235 0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.330 15.824 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.866 16.424 -1.129 1.00 0.00 H new ATOM 0 HE ARG A 53 4.319 17.648 1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.325 17.537 -0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.806 19.150 -0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.647 19.733 1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.124 20.396 1.195 1.00 0.00 H new ATOM 824 N GLN A 54 -0.500 15.788 3.005 1.00 0.00 N ATOM 825 CA GLN A 54 -0.595 16.193 4.398 1.00 0.00 C ATOM 826 C GLN A 54 -1.006 15.004 5.269 1.00 0.00 C ATOM 827 O GLN A 54 -0.319 14.670 6.233 1.00 0.00 O ATOM 828 CB GLN A 54 -1.571 17.359 4.565 1.00 0.00 C ATOM 829 CG GLN A 54 -0.922 18.681 4.150 1.00 0.00 C ATOM 830 CD GLN A 54 0.391 18.907 4.902 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.418 19.151 6.097 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.475 18.812 4.137 1.00 0.00 N ATOM 0 H GLN A 54 -0.994 16.394 2.350 1.00 0.00 H new ATOM 0 HA GLN A 54 0.387 16.535 4.725 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.461 17.182 3.962 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.896 17.420 5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.734 18.677 3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.607 19.505 4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.381 18.605 3.143 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.400 18.946 4.545 1.00 0.00 H new ATOM 841 N TRP A 55 -2.124 14.399 4.899 1.00 0.00 N ATOM 842 CA TRP A 55 -2.635 13.254 5.634 1.00 0.00 C ATOM 843 C TRP A 55 -1.501 12.236 5.771 1.00 0.00 C ATOM 844 O TRP A 55 -1.236 11.740 6.864 1.00 0.00 O ATOM 845 CB TRP A 55 -3.879 12.677 4.956 1.00 0.00 C ATOM 846 CG TRP A 55 -4.537 11.534 5.732 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.607 11.591 6.536 1.00 0.00 C ATOM 848 CD2 TRP A 55 -4.121 10.152 5.744 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.910 10.352 7.063 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.977 9.449 6.566 1.00 0.00 C ATOM 851 CE3 TRP A 55 -3.056 9.517 5.081 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.858 8.075 6.802 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.949 8.143 5.328 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.804 7.421 6.153 1.00 0.00 C ATOM 0 H TRP A 55 -2.691 14.680 4.099 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.960 13.550 6.632 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.608 13.475 4.817 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.606 12.319 3.963 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.163 12.493 6.745 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.677 10.138 7.700 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.374 10.047 4.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.542 7.547 7.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.146 7.607 4.844 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.656 6.360 6.293 1.00 0.00 H new ATOM 865 N MET A 56 -0.863 11.954 4.644 1.00 0.00 N ATOM 866 CA MET A 56 0.235 11.004 4.624 1.00 0.00 C ATOM 867 C MET A 56 1.310 11.386 5.644 1.00 0.00 C ATOM 868 O MET A 56 1.815 10.530 6.369 1.00 0.00 O ATOM 869 CB MET A 56 0.852 10.965 3.224 1.00 0.00 C ATOM 870 CG MET A 56 1.619 9.661 2.999 1.00 0.00 C ATOM 871 SD MET A 56 2.522 9.742 1.461 1.00 0.00 S ATOM 872 CE MET A 56 3.637 11.087 1.826 1.00 0.00 C ATOM 0 H MET A 56 -1.086 12.367 3.739 1.00 0.00 H new ATOM 0 HA MET A 56 -0.156 10.021 4.886 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.067 11.063 2.474 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.524 11.813 3.095 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.308 9.487 3.826 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.926 8.820 2.979 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.522 11.007 1.195 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.138 12.036 1.632 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.933 11.040 2.874 1.00 0.00 H new ATOM 882 N TYR A 57 1.628 12.672 5.668 1.00 0.00 N ATOM 883 CA TYR A 57 2.633 13.178 6.587 1.00 0.00 C ATOM 884 C TYR A 57 2.161 13.054 8.037 1.00 0.00 C ATOM 885 O TYR A 57 2.934 13.282 8.967 1.00 0.00 O ATOM 886 CB TYR A 57 2.810 14.658 6.245 1.00 0.00 C ATOM 887 CG TYR A 57 3.658 14.912 4.997 1.00 0.00 C ATOM 888 CD1 TYR A 57 3.839 13.906 4.071 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.241 16.147 4.799 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.638 14.144 2.896 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.039 16.386 3.624 1.00 0.00 C ATOM 892 CZ TYR A 57 5.198 15.373 2.731 1.00 0.00 C ATOM 893 OH TYR A 57 5.952 15.598 1.621 1.00 0.00 O ATOM 0 H TYR A 57 1.207 13.379 5.065 1.00 0.00 H new ATOM 0 HA TYR A 57 3.560 12.613 6.491 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.827 15.107 6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.271 15.164 7.094 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.382 12.940 4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.099 16.934 5.525 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.789 13.365 2.163 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.501 17.348 3.456 1.00 0.00 H new ATOM 0 HH TYR A 57 6.900 15.483 1.841 1.00 0.00 H new ATOM 903 N LYS A 58 0.895 12.694 8.185 1.00 0.00 N ATOM 904 CA LYS A 58 0.311 12.537 9.507 1.00 0.00 C ATOM 905 C LYS A 58 0.196 11.047 9.836 1.00 0.00 C ATOM 906 O LYS A 58 -0.099 10.680 10.972 1.00 0.00 O ATOM 907 CB LYS A 58 -1.018 13.291 9.598 1.00 0.00 C ATOM 908 CG LYS A 58 -0.819 14.786 9.342 1.00 0.00 C ATOM 909 CD LYS A 58 -1.731 15.622 10.241 1.00 0.00 C ATOM 910 CE LYS A 58 -2.045 16.974 9.598 1.00 0.00 C ATOM 911 NZ LYS A 58 -3.207 17.607 10.261 1.00 0.00 N ATOM 0 H LYS A 58 0.257 12.506 7.412 1.00 0.00 H new ATOM 0 HA LYS A 58 0.957 12.982 10.264 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.721 12.884 8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.458 13.143 10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.222 15.054 9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.028 15.011 8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.658 15.080 10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.252 15.778 11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.176 17.628 9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.254 16.839 8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.406 18.524 9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.038 16.989 10.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.994 17.754 11.268 1.00 0.00 H new ATOM 925 N ASN A 59 0.436 10.230 8.821 1.00 0.00 N ATOM 926 CA ASN A 59 0.364 8.788 8.988 1.00 0.00 C ATOM 927 C ASN A 59 1.736 8.176 8.701 1.00 0.00 C ATOM 928 O ASN A 59 1.829 7.090 8.132 1.00 0.00 O ATOM 929 CB ASN A 59 -0.642 8.170 8.015 1.00 0.00 C ATOM 930 CG ASN A 59 -2.064 8.646 8.320 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.978 7.863 8.519 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.198 9.969 8.346 1.00 0.00 N ATOM 0 H ASN A 59 0.680 10.539 7.880 1.00 0.00 H new ATOM 0 HA ASN A 59 0.049 8.583 10.011 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.376 8.438 6.993 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.597 7.083 8.081 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.108 10.386 8.542 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.391 10.567 8.170 1.00 0.00 H new ATOM 939 N VAL A 60 2.768 8.901 9.108 1.00 0.00 N ATOM 940 CA VAL A 60 4.132 8.442 8.902 1.00 0.00 C ATOM 941 C VAL A 60 5.030 9.019 9.998 1.00 0.00 C ATOM 942 O VAL A 60 5.209 10.233 10.084 1.00 0.00 O ATOM 943 CB VAL A 60 4.599 8.808 7.492 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.082 8.481 7.303 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.744 8.109 6.433 1.00 0.00 C ATOM 0 H VAL A 60 2.687 9.802 9.579 1.00 0.00 H new ATOM 0 HA VAL A 60 4.186 7.356 8.976 1.00 0.00 H new ATOM 0 HB VAL A 60 4.475 9.884 7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.388 8.751 6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.674 9.045 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.242 7.414 7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.097 8.386 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.822 7.029 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.704 8.413 6.546 1.00 0.00 H new ATOM 955 N PRO A 61 5.586 8.098 10.830 1.00 0.00 N ATOM 956 CA PRO A 61 6.461 8.503 11.917 1.00 0.00 C ATOM 957 C PRO A 61 7.839 8.908 11.389 1.00 0.00 C ATOM 958 O PRO A 61 8.139 8.712 10.213 1.00 0.00 O ATOM 959 CB PRO A 61 6.511 7.303 12.849 1.00 0.00 C ATOM 960 CG PRO A 61 6.042 6.115 12.025 1.00 0.00 C ATOM 961 CD PRO A 61 5.396 6.652 10.759 1.00 0.00 C ATOM 0 HA PRO A 61 6.097 9.385 12.444 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.521 7.143 13.225 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.868 7.455 13.716 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.882 5.466 11.779 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.330 5.515 12.592 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.864 6.234 9.868 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.338 6.393 10.714 1.00 0.00 H new ATOM 969 N PRO A 62 8.661 9.480 12.309 1.00 0.00 N ATOM 970 CA PRO A 62 10.000 9.914 11.949 1.00 0.00 C ATOM 971 C PRO A 62 10.943 8.718 11.799 1.00 0.00 C ATOM 972 O PRO A 62 11.899 8.770 11.027 1.00 0.00 O ATOM 973 CB PRO A 62 10.418 10.864 13.059 1.00 0.00 C ATOM 974 CG PRO A 62 9.495 10.568 14.230 1.00 0.00 C ATOM 975 CD PRO A 62 8.340 9.727 13.712 1.00 0.00 C ATOM 0 HA PRO A 62 10.033 10.414 10.981 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.461 10.708 13.335 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.324 11.902 12.741 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.033 10.036 15.015 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.126 11.495 14.669 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.249 8.794 14.268 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.390 10.252 13.814 1.00 0.00 H new ATOM 983 N GLU A 63 10.640 7.669 12.548 1.00 0.00 N ATOM 984 CA GLU A 63 11.448 6.462 12.508 1.00 0.00 C ATOM 985 C GLU A 63 11.289 5.761 11.157 1.00 0.00 C ATOM 986 O GLU A 63 12.123 4.940 10.778 1.00 0.00 O ATOM 987 CB GLU A 63 11.086 5.521 13.659 1.00 0.00 C ATOM 988 CG GLU A 63 9.938 4.590 13.266 1.00 0.00 C ATOM 989 CD GLU A 63 9.359 3.885 14.494 1.00 0.00 C ATOM 990 OE1 GLU A 63 9.068 4.602 15.476 1.00 0.00 O ATOM 991 OE2 GLU A 63 9.220 2.644 14.424 1.00 0.00 O ATOM 0 H GLU A 63 9.846 7.629 13.187 1.00 0.00 H new ATOM 0 HA GLU A 63 12.494 6.745 12.628 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.958 4.930 13.939 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.802 6.104 14.535 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.155 5.162 12.768 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.295 3.849 12.551 1.00 0.00 H new ATOM 998 N LYS A 64 10.214 6.112 10.468 1.00 0.00 N ATOM 999 CA LYS A 64 9.935 5.527 9.167 1.00 0.00 C ATOM 1000 C LYS A 64 10.333 6.518 8.071 1.00 0.00 C ATOM 1001 O LYS A 64 10.723 6.114 6.977 1.00 0.00 O ATOM 1002 CB LYS A 64 8.476 5.073 9.085 1.00 0.00 C ATOM 1003 CG LYS A 64 8.189 3.966 10.102 1.00 0.00 C ATOM 1004 CD LYS A 64 8.863 2.656 9.692 1.00 0.00 C ATOM 1005 CE LYS A 64 8.090 1.449 10.228 1.00 0.00 C ATOM 1006 NZ LYS A 64 9.008 0.499 10.894 1.00 0.00 N ATOM 0 H LYS A 64 9.525 6.794 10.786 1.00 0.00 H new ATOM 0 HA LYS A 64 10.533 4.628 9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.816 5.921 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.259 4.713 8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.546 4.270 11.086 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.113 3.815 10.186 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.924 2.599 8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.885 2.635 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.328 1.782 10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.571 0.949 9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.467 -0.314 11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.720 0.168 10.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.484 0.974 11.687 1.00 0.00 H new ATOM 1020 N LYS A 65 10.221 7.795 8.404 1.00 0.00 N ATOM 1021 CA LYS A 65 10.564 8.847 7.462 1.00 0.00 C ATOM 1022 C LYS A 65 11.828 8.448 6.698 1.00 0.00 C ATOM 1023 O LYS A 65 12.878 8.228 7.299 1.00 0.00 O ATOM 1024 CB LYS A 65 10.679 10.193 8.180 1.00 0.00 C ATOM 1025 CG LYS A 65 9.322 10.897 8.245 1.00 0.00 C ATOM 1026 CD LYS A 65 9.412 12.187 9.062 1.00 0.00 C ATOM 1027 CE LYS A 65 8.156 12.387 9.912 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.204 13.693 10.609 1.00 0.00 N ATOM 0 H LYS A 65 9.898 8.125 9.313 1.00 0.00 H new ATOM 0 HA LYS A 65 9.771 8.972 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.062 10.040 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.397 10.827 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.978 11.125 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.584 10.231 8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.290 12.153 9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.541 13.037 8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.270 12.338 9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.071 11.582 10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.344 13.813 11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.039 13.726 11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.262 14.459 9.908 1.00 0.00 H new ATOM 1042 N PRO A 66 11.682 8.365 5.348 1.00 0.00 N ATOM 1043 CA PRO A 66 12.799 7.997 4.495 1.00 0.00 C ATOM 1044 C PRO A 66 13.785 9.158 4.352 1.00 0.00 C ATOM 1045 O PRO A 66 13.509 10.271 4.796 1.00 0.00 O ATOM 1046 CB PRO A 66 12.167 7.588 3.175 1.00 0.00 C ATOM 1047 CG PRO A 66 10.768 8.181 3.180 1.00 0.00 C ATOM 1048 CD PRO A 66 10.453 8.620 4.601 1.00 0.00 C ATOM 0 HA PRO A 66 13.392 7.181 4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.747 7.963 2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.131 6.503 3.079 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.710 9.028 2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.040 7.445 2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.178 9.674 4.638 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.615 8.057 5.013 1.00 0.00 H new ATOM 1056 N THR A 67 14.916 8.858 3.729 1.00 0.00 N ATOM 1057 CA THR A 67 15.945 9.863 3.522 1.00 0.00 C ATOM 1058 C THR A 67 16.028 10.799 4.729 1.00 0.00 C ATOM 1059 O THR A 67 16.681 10.481 5.722 1.00 0.00 O ATOM 1060 CB THR A 67 15.639 10.589 2.210 1.00 0.00 C ATOM 1061 OG1 THR A 67 15.812 9.588 1.211 1.00 0.00 O ATOM 1062 CG2 THR A 67 16.692 11.644 1.866 1.00 0.00 C ATOM 0 H THR A 67 15.142 7.934 3.361 1.00 0.00 H new ATOM 0 HA THR A 67 16.931 9.407 3.436 1.00 0.00 H new ATOM 0 HB THR A 67 14.659 11.062 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.631 9.973 0.328 1.00 0.00 H new ATOM 0 HG21 THR A 67 16.428 12.129 0.926 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.733 12.389 2.660 1.00 0.00 H new ATOM 0 HG23 THR A 67 17.667 11.166 1.766 1.00 0.00 H new ATOM 1070 N GLN A 68 15.356 11.934 4.605 1.00 0.00 N ATOM 1071 CA GLN A 68 15.346 12.919 5.673 1.00 0.00 C ATOM 1072 C GLN A 68 14.254 13.961 5.424 1.00 0.00 C ATOM 1073 O GLN A 68 14.060 14.403 4.292 1.00 0.00 O ATOM 1074 CB GLN A 68 16.716 13.583 5.820 1.00 0.00 C ATOM 1075 CG GLN A 68 16.991 14.535 4.655 1.00 0.00 C ATOM 1076 CD GLN A 68 16.984 15.992 5.123 1.00 0.00 C ATOM 1077 OE1 GLN A 68 17.109 16.294 6.299 1.00 0.00 O ATOM 1078 NE2 GLN A 68 16.830 16.875 4.141 1.00 0.00 N ATOM 0 H GLN A 68 14.814 12.194 3.781 1.00 0.00 H new ATOM 0 HA GLN A 68 15.125 12.408 6.610 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.759 14.132 6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 68 17.492 12.819 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.956 14.298 4.207 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.237 14.395 3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.731 16.554 3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.811 17.873 4.351 1.00 0.00 H new ATOM 1087 N GLY A 69 13.571 14.325 6.499 1.00 0.00 N ATOM 1088 CA GLY A 69 12.504 15.308 6.411 1.00 0.00 C ATOM 1089 C GLY A 69 11.150 14.629 6.194 1.00 0.00 C ATOM 1090 O GLY A 69 11.003 13.435 6.447 1.00 0.00 O ATOM 0 H GLY A 69 13.736 13.957 7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.475 15.901 7.325 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.705 15.996 5.590 1.00 0.00 H new ATOM 1094 N ASN A 70 10.196 15.421 5.727 1.00 0.00 N ATOM 1095 CA ASN A 70 8.859 14.912 5.473 1.00 0.00 C ATOM 1096 C ASN A 70 8.959 13.558 4.766 1.00 0.00 C ATOM 1097 O ASN A 70 9.959 13.268 4.111 1.00 0.00 O ATOM 1098 CB ASN A 70 8.071 15.860 4.567 1.00 0.00 C ATOM 1099 CG ASN A 70 8.827 16.127 3.264 1.00 0.00 C ATOM 1100 OD1 ASN A 70 8.650 15.451 2.264 1.00 0.00 O ATOM 1101 ND2 ASN A 70 9.676 17.148 3.330 1.00 0.00 N ATOM 0 H ASN A 70 10.322 16.411 5.518 1.00 0.00 H new ATOM 0 HA ASN A 70 8.347 14.819 6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.095 15.428 4.344 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.892 16.801 5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.227 17.407 2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.776 17.673 4.199 1.00 0.00 H new ATOM 1108 N PRO A 71 7.882 12.744 4.928 1.00 0.00 N ATOM 1109 CA PRO A 71 7.839 11.428 4.314 1.00 0.00 C ATOM 1110 C PRO A 71 7.577 11.533 2.810 1.00 0.00 C ATOM 1111 O PRO A 71 6.575 12.109 2.390 1.00 0.00 O ATOM 1112 CB PRO A 71 6.743 10.682 5.057 1.00 0.00 C ATOM 1113 CG PRO A 71 5.902 11.749 5.739 1.00 0.00 C ATOM 1114 CD PRO A 71 6.681 13.054 5.698 1.00 0.00 C ATOM 0 HA PRO A 71 8.787 10.896 4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.139 10.089 4.370 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.166 9.992 5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.943 11.861 5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.687 11.465 6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.101 13.847 5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.932 13.397 6.702 1.00 0.00 H new ATOM 1122 N LEU A 72 8.496 10.968 2.041 1.00 0.00 N ATOM 1123 CA LEU A 72 8.377 10.991 0.593 1.00 0.00 C ATOM 1124 C LEU A 72 7.885 9.627 0.105 1.00 0.00 C ATOM 1125 O LEU A 72 8.024 8.626 0.805 1.00 0.00 O ATOM 1126 CB LEU A 72 9.695 11.434 -0.046 1.00 0.00 C ATOM 1127 CG LEU A 72 10.174 12.842 0.312 1.00 0.00 C ATOM 1128 CD1 LEU A 72 11.680 12.984 0.082 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.376 13.903 -0.449 1.00 0.00 C ATOM 0 H LEU A 72 9.326 10.492 2.393 1.00 0.00 H new ATOM 0 HA LEU A 72 7.636 11.728 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.471 10.724 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.590 11.372 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 72 9.994 13.004 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.994 13.994 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.213 12.265 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.907 12.794 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.737 14.895 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.502 13.753 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.320 13.818 -0.192 1.00 0.00 H new ATOM 1141 N PRO A 73 7.303 9.633 -1.125 1.00 0.00 N ATOM 1142 CA PRO A 73 6.789 8.409 -1.715 1.00 0.00 C ATOM 1143 C PRO A 73 7.930 7.522 -2.220 1.00 0.00 C ATOM 1144 O PRO A 73 9.079 7.957 -2.280 1.00 0.00 O ATOM 1145 CB PRO A 73 5.858 8.868 -2.825 1.00 0.00 C ATOM 1146 CG PRO A 73 6.240 10.310 -3.120 1.00 0.00 C ATOM 1147 CD PRO A 73 7.121 10.800 -1.983 1.00 0.00 C ATOM 0 HA PRO A 73 6.254 7.788 -0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.971 8.245 -3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.815 8.796 -2.515 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.770 10.378 -4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.348 10.931 -3.207 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.076 11.171 -2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.649 11.620 -1.441 1.00 0.00 H new ATOM 1155 N PRO A 74 7.563 6.263 -2.580 1.00 0.00 N ATOM 1156 CA PRO A 74 6.180 5.829 -2.479 1.00 0.00 C ATOM 1157 C PRO A 74 5.795 5.562 -1.022 1.00 0.00 C ATOM 1158 O PRO A 74 6.660 5.332 -0.180 1.00 0.00 O ATOM 1159 CB PRO A 74 6.092 4.589 -3.353 1.00 0.00 C ATOM 1160 CG PRO A 74 7.522 4.108 -3.539 1.00 0.00 C ATOM 1161 CD PRO A 74 8.451 5.224 -3.092 1.00 0.00 C ATOM 0 HA PRO A 74 5.475 6.589 -2.816 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.480 3.821 -2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.630 4.820 -4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.700 3.206 -2.954 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.706 3.853 -4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.142 4.880 -2.323 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.055 5.593 -3.921 1.00 0.00 H new ATOM 1169 N GLN A 75 4.494 5.602 -0.771 1.00 0.00 N ATOM 1170 CA GLN A 75 3.984 5.367 0.569 1.00 0.00 C ATOM 1171 C GLN A 75 2.701 4.535 0.510 1.00 0.00 C ATOM 1172 O GLN A 75 1.602 5.085 0.453 1.00 0.00 O ATOM 1173 CB GLN A 75 3.747 6.688 1.305 1.00 0.00 C ATOM 1174 CG GLN A 75 5.073 7.368 1.650 1.00 0.00 C ATOM 1175 CD GLN A 75 5.430 7.158 3.123 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.603 6.794 3.943 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.704 7.408 3.412 1.00 0.00 N ATOM 0 H GLN A 75 3.779 5.793 -1.473 1.00 0.00 H new ATOM 0 HA GLN A 75 4.733 4.806 1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.145 7.351 0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.180 6.504 2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.866 6.967 1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.005 8.435 1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.344 7.710 2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.041 7.298 4.368 1.00 0.00 H new ATOM 1186 N ILE A 76 2.884 3.223 0.526 1.00 0.00 N ATOM 1187 CA ILE A 76 1.755 2.309 0.475 1.00 0.00 C ATOM 1188 C ILE A 76 0.888 2.506 1.720 1.00 0.00 C ATOM 1189 O ILE A 76 1.408 2.675 2.822 1.00 0.00 O ATOM 1190 CB ILE A 76 2.238 0.871 0.283 1.00 0.00 C ATOM 1191 CG1 ILE A 76 2.987 0.716 -1.042 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.077 -0.118 0.404 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.500 0.669 -0.815 1.00 0.00 C ATOM 0 H ILE A 76 3.797 2.771 0.574 1.00 0.00 H new ATOM 0 HA ILE A 76 1.127 2.527 -0.389 1.00 0.00 H new ATOM 0 HB ILE A 76 2.944 0.639 1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.662 -0.196 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.740 1.547 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.448 -1.133 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.626 -0.030 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.329 0.104 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.008 0.558 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.825 1.593 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.746 -0.178 -0.174 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.418 2.479 1.503 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.362 2.653 2.595 1.00 0.00 C ATOM 1207 C PHE A 77 -2.662 1.894 2.321 1.00 0.00 C ATOM 1208 O PHE A 77 -3.433 2.274 1.441 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.668 4.149 2.688 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.728 4.920 3.616 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.829 4.770 4.964 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.210 5.755 3.094 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.044 5.485 5.826 1.00 0.00 C ATOM 1214 CE2 PHE A 77 1.083 6.471 3.955 1.00 0.00 C ATOM 1215 CZ PHE A 77 0.981 6.321 5.303 1.00 0.00 C ATOM 0 H PHE A 77 -0.846 2.339 0.588 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.936 2.267 3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.613 4.583 1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.693 4.279 3.036 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.574 4.107 5.379 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.291 5.874 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.036 5.365 6.896 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.827 7.134 3.540 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.644 6.866 5.958 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.866 0.836 3.091 1.00 0.00 N ATOM 1226 CA ASN A 78 -4.059 0.020 2.943 1.00 0.00 C ATOM 1227 C ASN A 78 -5.194 0.631 3.768 1.00 0.00 C ATOM 1228 O ASN A 78 -5.260 0.434 4.981 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.820 -1.404 3.449 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.914 -2.352 2.954 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -6.096 -2.055 3.000 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.455 -3.507 2.480 1.00 0.00 N ATOM 0 H ASN A 78 -2.225 0.524 3.820 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.316 -0.013 1.884 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.847 -1.756 3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.796 -1.407 4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.106 -4.208 2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.452 -3.692 2.470 1.00 0.00 H new ATOM 1239 N GLY A 79 -6.060 1.358 3.078 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.189 1.998 3.731 1.00 0.00 C ATOM 1241 C GLY A 79 -6.733 3.202 4.558 1.00 0.00 C ATOM 1242 O GLY A 79 -6.604 4.307 4.033 1.00 0.00 O ATOM 0 H GLY A 79 -6.002 1.518 2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.913 2.320 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.696 1.280 4.376 1.00 0.00 H new ATOM 1246 N ASP A 80 -6.501 2.948 5.837 1.00 0.00 N ATOM 1247 CA ASP A 80 -6.062 3.997 6.742 1.00 0.00 C ATOM 1248 C ASP A 80 -4.918 3.470 7.611 1.00 0.00 C ATOM 1249 O ASP A 80 -4.533 4.108 8.590 1.00 0.00 O ATOM 1250 CB ASP A 80 -7.197 4.435 7.669 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.730 3.344 8.599 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -8.445 2.458 8.083 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -7.411 3.420 9.805 1.00 0.00 O ATOM 0 H ASP A 80 -6.609 2.030 6.269 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.739 4.847 6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.848 5.270 8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.021 4.806 7.059 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.407 2.312 7.221 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.315 1.692 7.953 1.00 0.00 C ATOM 1260 C ARG A 81 -2.004 1.843 7.178 1.00 0.00 C ATOM 1261 O ARG A 81 -1.927 1.484 6.004 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.588 0.206 8.195 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.469 -0.139 9.680 1.00 0.00 C ATOM 1264 CD ARG A 81 -3.690 -1.634 9.916 1.00 0.00 C ATOM 1265 NE ARG A 81 -2.418 -2.277 10.316 1.00 0.00 N ATOM 1266 CZ ARG A 81 -2.335 -3.480 10.901 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -3.450 -4.178 11.158 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -1.138 -3.985 11.229 1.00 0.00 N ATOM 0 H ARG A 81 -4.728 1.787 6.408 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.232 2.196 8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.587 -0.047 7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.883 -0.395 7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.483 0.148 10.046 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.200 0.435 10.250 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.441 -1.781 10.692 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.074 -2.101 9.009 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.550 -1.773 10.135 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.361 -3.794 10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.387 -5.094 11.603 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.289 -3.454 11.034 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.075 -4.901 11.674 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.005 2.376 7.867 1.00 0.00 N ATOM 1283 CA TYR A 82 0.298 2.579 7.259 1.00 0.00 C ATOM 1284 C TYR A 82 0.978 1.242 6.959 1.00 0.00 C ATOM 1285 O TYR A 82 1.272 0.473 7.873 1.00 0.00 O ATOM 1286 CB TYR A 82 1.131 3.342 8.291 1.00 0.00 C ATOM 1287 CG TYR A 82 2.509 3.772 7.784 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.692 4.066 6.448 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.569 3.867 8.663 1.00 0.00 C ATOM 1290 CE1 TYR A 82 3.988 4.471 5.971 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.866 4.272 8.185 1.00 0.00 C ATOM 1292 CZ TYR A 82 5.011 4.555 6.863 1.00 0.00 C ATOM 1293 OH TYR A 82 6.236 4.937 6.412 1.00 0.00 O ATOM 0 H TYR A 82 -1.073 2.673 8.840 1.00 0.00 H new ATOM 0 HA TYR A 82 0.202 3.120 6.317 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.579 4.227 8.606 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.259 2.716 9.174 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.862 3.992 5.760 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.426 3.638 9.709 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.145 4.703 4.928 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.704 4.349 8.861 1.00 0.00 H new ATOM 0 HH TYR A 82 6.130 5.536 5.643 1.00 0.00 H new ATOM 1303 N CYS A 83 1.209 1.006 5.676 1.00 0.00 N ATOM 1304 CA CYS A 83 1.849 -0.225 5.245 1.00 0.00 C ATOM 1305 C CYS A 83 3.361 -0.064 5.411 1.00 0.00 C ATOM 1306 O CYS A 83 3.973 -0.736 6.240 1.00 0.00 O ATOM 1307 CB CYS A 83 1.468 -0.587 3.808 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.240 -1.243 3.759 1.00 0.00 S ATOM 0 H CYS A 83 0.964 1.647 4.921 1.00 0.00 H new ATOM 0 HA CYS A 83 1.503 -1.054 5.863 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.547 0.293 3.170 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.163 -1.329 3.415 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.271 -2.414 4.322 1.00 0.00 H new ATOM 1314 N GLY A 84 3.921 0.831 4.610 1.00 0.00 N ATOM 1315 CA GLY A 84 5.350 1.088 4.658 1.00 0.00 C ATOM 1316 C GLY A 84 5.849 1.663 3.331 1.00 0.00 C ATOM 1317 O GLY A 84 5.219 1.470 2.292 1.00 0.00 O ATOM 0 H GLY A 84 3.410 1.387 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.571 1.785 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.882 0.163 4.881 1.00 0.00 H new ATOM 1321 N ASP A 85 6.975 2.356 3.408 1.00 0.00 N ATOM 1322 CA ASP A 85 7.565 2.959 2.226 1.00 0.00 C ATOM 1323 C ASP A 85 8.144 1.860 1.333 1.00 0.00 C ATOM 1324 O ASP A 85 8.008 0.675 1.633 1.00 0.00 O ATOM 1325 CB ASP A 85 8.703 3.911 2.603 1.00 0.00 C ATOM 1326 CG ASP A 85 10.017 3.228 2.986 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.985 1.990 3.156 1.00 0.00 O ATOM 1328 OD2 ASP A 85 11.025 3.959 3.100 1.00 0.00 O ATOM 0 H ASP A 85 7.495 2.513 4.271 1.00 0.00 H new ATOM 0 HA ASP A 85 6.785 3.517 1.707 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.890 4.580 1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.376 4.531 3.438 1.00 0.00 H new ATOM 1333 N TYR A 86 8.779 2.293 0.253 1.00 0.00 N ATOM 1334 CA TYR A 86 9.380 1.360 -0.686 1.00 0.00 C ATOM 1335 C TYR A 86 10.306 0.378 0.034 1.00 0.00 C ATOM 1336 O TYR A 86 10.353 -0.802 -0.311 1.00 0.00 O ATOM 1337 CB TYR A 86 10.208 2.209 -1.652 1.00 0.00 C ATOM 1338 CG TYR A 86 11.343 1.444 -2.335 1.00 0.00 C ATOM 1339 CD1 TYR A 86 12.584 1.368 -1.735 1.00 0.00 C ATOM 1340 CD2 TYR A 86 11.127 0.831 -3.553 1.00 0.00 C ATOM 1341 CE1 TYR A 86 13.652 0.648 -2.378 1.00 0.00 C ATOM 1342 CE2 TYR A 86 12.196 0.112 -4.196 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.405 0.055 -3.578 1.00 0.00 C ATOM 1344 OH TYR A 86 14.414 -0.624 -4.185 1.00 0.00 O ATOM 0 H TYR A 86 8.890 3.277 0.007 1.00 0.00 H new ATOM 0 HA TYR A 86 8.611 0.778 -1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.548 2.619 -2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.629 3.054 -1.108 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.754 1.849 -0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.157 0.891 -4.023 1.00 0.00 H new ATOM 0 HE1 TYR A 86 14.627 0.580 -1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.040 -0.372 -5.149 1.00 0.00 H new ATOM 0 HH TYR A 86 14.186 -1.576 -4.232 1.00 0.00 H new ATOM 1354 N ASP A 87 11.019 0.900 1.021 1.00 0.00 N ATOM 1355 CA ASP A 87 11.940 0.084 1.792 1.00 0.00 C ATOM 1356 C ASP A 87 11.196 -1.133 2.347 1.00 0.00 C ATOM 1357 O ASP A 87 11.646 -2.266 2.186 1.00 0.00 O ATOM 1358 CB ASP A 87 12.513 0.867 2.975 1.00 0.00 C ATOM 1359 CG ASP A 87 14.038 0.844 3.089 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.682 1.448 2.204 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.526 0.223 4.057 1.00 0.00 O ATOM 0 H ASP A 87 10.977 1.879 1.304 1.00 0.00 H new ATOM 0 HA ASP A 87 12.753 -0.220 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.185 1.904 2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.089 0.466 3.896 1.00 0.00 H new ATOM 1366 N SER A 88 10.070 -0.856 2.988 1.00 0.00 N ATOM 1367 CA SER A 88 9.260 -1.914 3.567 1.00 0.00 C ATOM 1368 C SER A 88 8.839 -2.905 2.480 1.00 0.00 C ATOM 1369 O SER A 88 9.042 -4.110 2.621 1.00 0.00 O ATOM 1370 CB SER A 88 8.027 -1.341 4.269 1.00 0.00 C ATOM 1371 OG SER A 88 8.119 -1.455 5.687 1.00 0.00 O ATOM 0 H SER A 88 9.700 0.085 3.119 1.00 0.00 H new ATOM 0 HA SER A 88 9.860 -2.436 4.313 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.909 -0.292 3.996 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.136 -1.863 3.920 1.00 0.00 H new ATOM 0 HG SER A 88 7.314 -1.077 6.099 1.00 0.00 H new ATOM 1377 N PHE A 89 8.259 -2.361 1.420 1.00 0.00 N ATOM 1378 CA PHE A 89 7.808 -3.182 0.310 1.00 0.00 C ATOM 1379 C PHE A 89 8.893 -4.172 -0.117 1.00 0.00 C ATOM 1380 O PHE A 89 8.684 -5.384 -0.079 1.00 0.00 O ATOM 1381 CB PHE A 89 7.511 -2.236 -0.855 1.00 0.00 C ATOM 1382 CG PHE A 89 7.112 -2.948 -2.149 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.902 -3.562 -2.243 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.968 -2.967 -3.206 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.532 -4.223 -3.444 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.598 -3.628 -4.407 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.388 -4.242 -4.501 1.00 0.00 C ATOM 0 H PHE A 89 8.091 -1.361 1.307 1.00 0.00 H new ATOM 0 HA PHE A 89 6.928 -3.754 0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.709 -1.558 -0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.392 -1.624 -1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.222 -3.547 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.929 -2.479 -3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.571 -4.711 -3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.278 -3.643 -5.246 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.107 -4.745 -5.415 1.00 0.00 H new ATOM 1397 N PHE A 90 10.031 -3.619 -0.513 1.00 0.00 N ATOM 1398 CA PHE A 90 11.150 -4.439 -0.946 1.00 0.00 C ATOM 1399 C PHE A 90 11.506 -5.485 0.112 1.00 0.00 C ATOM 1400 O PHE A 90 11.569 -6.677 -0.185 1.00 0.00 O ATOM 1401 CB PHE A 90 12.342 -3.500 -1.140 1.00 0.00 C ATOM 1402 CG PHE A 90 13.371 -4.002 -2.156 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.178 -5.051 -1.844 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.478 -3.399 -3.370 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.132 -5.517 -2.787 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.432 -3.864 -4.312 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.239 -4.914 -4.001 1.00 0.00 C ATOM 0 H PHE A 90 10.202 -2.614 -0.543 1.00 0.00 H new ATOM 0 HA PHE A 90 10.892 -4.966 -1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.975 -2.525 -1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.836 -3.354 -0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.093 -5.530 -0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.837 -2.566 -3.617 1.00 0.00 H new ATOM 0 HE1 PHE A 90 15.773 -6.351 -2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 90 14.517 -3.384 -5.276 1.00 0.00 H new ATOM 0 HZ PHE A 90 15.965 -5.269 -4.718 1.00 0.00 H new ATOM 1417 N GLU A 91 11.729 -5.001 1.325 1.00 0.00 N ATOM 1418 CA GLU A 91 12.077 -5.879 2.429 1.00 0.00 C ATOM 1419 C GLU A 91 11.184 -7.122 2.420 1.00 0.00 C ATOM 1420 O GLU A 91 11.678 -8.246 2.479 1.00 0.00 O ATOM 1421 CB GLU A 91 11.979 -5.143 3.767 1.00 0.00 C ATOM 1422 CG GLU A 91 13.348 -5.051 4.443 1.00 0.00 C ATOM 1423 CD GLU A 91 13.202 -4.835 5.951 1.00 0.00 C ATOM 1424 OE1 GLU A 91 12.463 -5.631 6.569 1.00 0.00 O ATOM 1425 OE2 GLU A 91 13.833 -3.879 6.451 1.00 0.00 O ATOM 0 H GLU A 91 11.675 -4.012 1.568 1.00 0.00 H new ATOM 0 HA GLU A 91 13.112 -6.198 2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.580 -4.141 3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.280 -5.663 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.912 -5.965 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.918 -4.230 4.008 1.00 0.00 H new ATOM 1432 N SER A 92 9.884 -6.877 2.346 1.00 0.00 N ATOM 1433 CA SER A 92 8.918 -7.962 2.328 1.00 0.00 C ATOM 1434 C SER A 92 8.985 -8.701 0.991 1.00 0.00 C ATOM 1435 O SER A 92 8.634 -9.878 0.909 1.00 0.00 O ATOM 1436 CB SER A 92 7.500 -7.441 2.576 1.00 0.00 C ATOM 1437 OG SER A 92 7.113 -7.576 3.941 1.00 0.00 O ATOM 0 H SER A 92 9.477 -5.943 2.298 1.00 0.00 H new ATOM 0 HA SER A 92 9.168 -8.655 3.131 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.443 -6.392 2.285 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.798 -7.986 1.945 1.00 0.00 H new ATOM 0 HG SER A 92 7.030 -8.526 4.165 1.00 0.00 H new ATOM 1443 N LYS A 93 9.439 -7.981 -0.025 1.00 0.00 N ATOM 1444 CA LYS A 93 9.557 -8.555 -1.355 1.00 0.00 C ATOM 1445 C LYS A 93 10.579 -9.693 -1.326 1.00 0.00 C ATOM 1446 O LYS A 93 10.354 -10.749 -1.914 1.00 0.00 O ATOM 1447 CB LYS A 93 9.877 -7.466 -2.381 1.00 0.00 C ATOM 1448 CG LYS A 93 9.135 -7.717 -3.696 1.00 0.00 C ATOM 1449 CD LYS A 93 8.787 -6.399 -4.389 1.00 0.00 C ATOM 1450 CE LYS A 93 10.047 -5.581 -4.677 1.00 0.00 C ATOM 1451 NZ LYS A 93 10.039 -5.090 -6.073 1.00 0.00 N ATOM 0 H LYS A 93 9.729 -7.006 0.046 1.00 0.00 H new ATOM 0 HA LYS A 93 8.607 -8.988 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.597 -6.491 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.951 -7.439 -2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.753 -8.327 -4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.223 -8.281 -3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.260 -6.602 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.110 -5.821 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.105 -4.738 -3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.932 -6.193 -4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.540 -4.180 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.515 -5.782 -6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.057 -4.963 -6.391 1.00 0.00 H new ATOM 1465 N GLU A 94 11.681 -9.437 -0.636 1.00 0.00 N ATOM 1466 CA GLU A 94 12.739 -10.427 -0.523 1.00 0.00 C ATOM 1467 C GLU A 94 12.202 -11.708 0.119 1.00 0.00 C ATOM 1468 O GLU A 94 12.663 -12.804 -0.194 1.00 0.00 O ATOM 1469 CB GLU A 94 13.926 -9.873 0.268 1.00 0.00 C ATOM 1470 CG GLU A 94 14.605 -8.731 -0.490 1.00 0.00 C ATOM 1471 CD GLU A 94 16.054 -8.553 -0.030 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.233 -8.158 1.142 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.950 -8.817 -0.861 1.00 0.00 O ATOM 0 H GLU A 94 11.864 -8.559 -0.150 1.00 0.00 H new ATOM 0 HA GLU A 94 13.093 -10.668 -1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.585 -9.517 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.647 -10.669 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.582 -8.936 -1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.053 -7.805 -0.331 1.00 0.00 H new ATOM 1480 N SER A 95 11.234 -11.526 1.006 1.00 0.00 N ATOM 1481 CA SER A 95 10.629 -12.653 1.694 1.00 0.00 C ATOM 1482 C SER A 95 9.270 -12.979 1.071 1.00 0.00 C ATOM 1483 O SER A 95 8.530 -13.814 1.589 1.00 0.00 O ATOM 1484 CB SER A 95 10.473 -12.366 3.189 1.00 0.00 C ATOM 1485 OG SER A 95 11.575 -12.860 3.946 1.00 0.00 O ATOM 0 H SER A 95 10.854 -10.615 1.264 1.00 0.00 H new ATOM 0 HA SER A 95 11.287 -13.515 1.584 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.380 -11.291 3.344 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.551 -12.821 3.551 1.00 0.00 H new ATOM 0 HG SER A 95 11.438 -12.655 4.895 1.00 0.00 H new ATOM 1491 N ASN A 96 8.982 -12.302 -0.030 1.00 0.00 N ATOM 1492 CA ASN A 96 7.725 -12.508 -0.729 1.00 0.00 C ATOM 1493 C ASN A 96 6.566 -12.345 0.256 1.00 0.00 C ATOM 1494 O ASN A 96 5.796 -13.279 0.475 1.00 0.00 O ATOM 1495 CB ASN A 96 7.649 -13.918 -1.320 1.00 0.00 C ATOM 1496 CG ASN A 96 8.237 -13.954 -2.731 1.00 0.00 C ATOM 1497 OD1 ASN A 96 8.036 -13.061 -3.539 1.00 0.00 O ATOM 1498 ND2 ASN A 96 8.973 -15.032 -2.983 1.00 0.00 N ATOM 0 H ASN A 96 9.598 -11.610 -0.456 1.00 0.00 H new ATOM 0 HA ASN A 96 7.662 -11.775 -1.534 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.190 -14.614 -0.679 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.611 -14.250 -1.346 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.410 -15.149 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.101 -15.742 -2.262 1.00 0.00 H new ATOM 1505 N THR A 97 6.478 -11.151 0.824 1.00 0.00 N ATOM 1506 CA THR A 97 5.426 -10.853 1.780 1.00 0.00 C ATOM 1507 C THR A 97 4.664 -9.594 1.360 1.00 0.00 C ATOM 1508 O THR A 97 3.748 -9.158 2.056 1.00 0.00 O ATOM 1509 CB THR A 97 6.065 -10.742 3.166 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.304 -10.081 2.926 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.473 -12.103 3.733 1.00 0.00 C ATOM 0 H THR A 97 7.118 -10.379 0.640 1.00 0.00 H new ATOM 0 HA THR A 97 4.683 -11.650 1.811 1.00 0.00 H new ATOM 0 HB THR A 97 5.367 -10.258 3.849 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.854 -10.626 2.325 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.921 -11.968 4.717 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.593 -12.740 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.197 -12.573 3.067 1.00 0.00 H new ATOM 1519 N VAL A 98 5.071 -9.047 0.224 1.00 0.00 N ATOM 1520 CA VAL A 98 4.438 -7.847 -0.297 1.00 0.00 C ATOM 1521 C VAL A 98 2.937 -7.900 -0.007 1.00 0.00 C ATOM 1522 O VAL A 98 2.385 -6.985 0.603 1.00 0.00 O ATOM 1523 CB VAL A 98 4.754 -7.693 -1.786 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.669 -6.882 -2.496 1.00 0.00 C ATOM 1525 CG2 VAL A 98 6.133 -7.062 -1.991 1.00 0.00 C ATOM 0 H VAL A 98 5.831 -9.412 -0.350 1.00 0.00 H new ATOM 0 HA VAL A 98 4.834 -6.961 0.199 1.00 0.00 H new ATOM 0 HB VAL A 98 4.772 -8.689 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.918 -6.788 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.710 -7.389 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.605 -5.890 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.333 -6.964 -3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.155 -6.077 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.894 -7.696 -1.536 1.00 0.00 H new ATOM 1535 N PHE A 99 2.318 -8.982 -0.458 1.00 0.00 N ATOM 1536 CA PHE A 99 0.891 -9.167 -0.255 1.00 0.00 C ATOM 1537 C PHE A 99 0.507 -8.908 1.204 1.00 0.00 C ATOM 1538 O PHE A 99 -0.412 -8.138 1.480 1.00 0.00 O ATOM 1539 CB PHE A 99 0.575 -10.623 -0.602 1.00 0.00 C ATOM 1540 CG PHE A 99 0.547 -10.912 -2.104 1.00 0.00 C ATOM 1541 CD1 PHE A 99 -0.596 -10.716 -2.814 1.00 0.00 C ATOM 1542 CD2 PHE A 99 1.667 -11.365 -2.730 1.00 0.00 C ATOM 1543 CE1 PHE A 99 -0.621 -10.985 -4.208 1.00 0.00 C ATOM 1544 CE2 PHE A 99 1.642 -11.633 -4.124 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.498 -11.438 -4.834 1.00 0.00 C ATOM 0 H PHE A 99 2.779 -9.739 -0.963 1.00 0.00 H new ATOM 0 HA PHE A 99 0.333 -8.470 -0.879 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.318 -11.267 -0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.392 -10.886 -0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.485 -10.356 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.575 -11.521 -2.166 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.529 -10.830 -4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.531 -11.992 -4.621 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.479 -11.643 -5.894 1.00 0.00 H new ATOM 1555 N SER A 100 1.229 -9.566 2.098 1.00 0.00 N ATOM 1556 CA SER A 100 0.975 -9.417 3.521 1.00 0.00 C ATOM 1557 C SER A 100 1.375 -8.014 3.980 1.00 0.00 C ATOM 1558 O SER A 100 0.683 -7.401 4.791 1.00 0.00 O ATOM 1559 CB SER A 100 1.730 -10.475 4.329 1.00 0.00 C ATOM 1560 OG SER A 100 1.868 -10.103 5.698 1.00 0.00 O ATOM 0 H SER A 100 1.990 -10.204 1.865 1.00 0.00 H new ATOM 0 HA SER A 100 -0.092 -9.559 3.694 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.202 -11.426 4.263 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.717 -10.628 3.893 1.00 0.00 H new ATOM 0 HG SER A 100 2.354 -10.804 6.180 1.00 0.00 H new ATOM 1566 N PHE A 101 2.491 -7.545 3.441 1.00 0.00 N ATOM 1567 CA PHE A 101 2.992 -6.225 3.784 1.00 0.00 C ATOM 1568 C PHE A 101 1.930 -5.153 3.529 1.00 0.00 C ATOM 1569 O PHE A 101 1.823 -4.189 4.285 1.00 0.00 O ATOM 1570 CB PHE A 101 4.199 -5.956 2.884 1.00 0.00 C ATOM 1571 CG PHE A 101 4.480 -4.471 2.648 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.587 -3.623 3.706 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.623 -3.999 1.381 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.848 -2.244 3.487 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.885 -2.620 1.162 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.992 -1.772 2.219 1.00 0.00 C ATOM 0 H PHE A 101 3.063 -8.056 2.769 1.00 0.00 H new ATOM 0 HA PHE A 101 3.258 -6.191 4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.081 -6.416 3.329 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.037 -6.442 1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.474 -3.998 4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.537 -4.672 0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.932 -1.570 4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.999 -2.245 0.156 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.191 -0.724 2.052 1.00 0.00 H new ATOM 1586 N LEU A 102 1.174 -5.357 2.461 1.00 0.00 N ATOM 1587 CA LEU A 102 0.125 -4.420 2.096 1.00 0.00 C ATOM 1588 C LEU A 102 -1.123 -4.707 2.934 1.00 0.00 C ATOM 1589 O LEU A 102 -1.962 -3.828 3.126 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.125 -4.456 0.587 1.00 0.00 C ATOM 1591 CG LEU A 102 1.122 -4.464 -0.299 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.917 -5.354 -1.526 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.529 -3.040 -0.686 1.00 0.00 C ATOM 0 H LEU A 102 1.267 -6.158 1.836 1.00 0.00 H new ATOM 0 HA LEU A 102 0.432 -3.398 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.715 -5.343 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.732 -3.591 0.318 1.00 0.00 H new ATOM 0 HG LEU A 102 1.945 -4.890 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.818 -5.342 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.710 -6.375 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.076 -4.980 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.418 -3.074 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.715 -2.565 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.744 -2.466 0.215 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.207 -5.941 3.409 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.338 -6.355 4.221 1.00 0.00 C ATOM 1607 C GLY A 103 -3.253 -7.303 3.444 1.00 0.00 C ATOM 1608 O GLY A 103 -4.470 -7.282 3.622 1.00 0.00 O ATOM 0 H GLY A 103 -0.510 -6.668 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.980 -6.849 5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.902 -5.478 4.539 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.632 -8.112 2.598 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.376 -9.067 1.793 1.00 0.00 C ATOM 1614 C LEU A 104 -3.144 -10.477 2.339 1.00 0.00 C ATOM 1615 O LEU A 104 -2.016 -10.842 2.667 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.018 -8.913 0.314 1.00 0.00 C ATOM 1617 CG LEU A 104 -3.000 -7.482 -0.227 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.122 -7.379 -1.476 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.421 -6.975 -0.482 1.00 0.00 C ATOM 0 H LEU A 104 -1.623 -8.126 2.452 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.446 -8.871 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.035 -9.354 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.729 -9.493 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.558 -6.835 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.127 -6.352 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.102 -7.672 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.512 -8.040 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.380 -5.956 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.911 -7.619 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.985 -6.989 0.451 1.00 0.00 H new ATOM 1631 N LYS A 105 -4.230 -11.232 2.419 1.00 0.00 N ATOM 1632 CA LYS A 105 -4.159 -12.594 2.919 1.00 0.00 C ATOM 1633 C LYS A 105 -3.827 -12.568 4.413 1.00 0.00 C ATOM 1634 O LYS A 105 -4.665 -12.914 5.244 1.00 0.00 O ATOM 1635 CB LYS A 105 -3.178 -13.421 2.086 1.00 0.00 C ATOM 1636 CG LYS A 105 -2.490 -14.485 2.944 1.00 0.00 C ATOM 1637 CD LYS A 105 -2.127 -15.713 2.107 1.00 0.00 C ATOM 1638 CE LYS A 105 -3.384 -16.429 1.609 1.00 0.00 C ATOM 1639 NZ LYS A 105 -3.071 -17.827 1.235 1.00 0.00 N ATOM 0 H LYS A 105 -5.164 -10.926 2.146 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.125 -13.088 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.708 -13.900 1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.428 -12.765 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.589 -14.068 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.148 -14.779 3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -1.516 -15.410 1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.526 -16.399 2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.148 -16.417 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.795 -15.900 0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.935 -18.298 0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.357 -17.833 0.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.700 -18.334 2.064 1.00 0.00 H new ATOM 1653 N SER A 106 -2.603 -12.155 4.707 1.00 0.00 N ATOM 1654 CA SER A 106 -2.151 -12.080 6.086 1.00 0.00 C ATOM 1655 C SER A 106 -3.025 -11.100 6.871 1.00 0.00 C ATOM 1656 O SER A 106 -3.597 -11.459 7.898 1.00 0.00 O ATOM 1657 CB SER A 106 -0.682 -11.658 6.160 1.00 0.00 C ATOM 1658 OG SER A 106 0.200 -12.774 6.068 1.00 0.00 O ATOM 0 H SER A 106 -1.911 -11.869 4.015 1.00 0.00 H new ATOM 0 HA SER A 106 -2.240 -13.071 6.530 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.465 -10.957 5.354 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.503 -11.131 7.097 1.00 0.00 H new ATOM 0 HG SER A 106 1.114 -12.487 6.276 1.00 0.00 H new ATOM 1664 N GLY A 107 -3.101 -9.881 6.356 1.00 0.00 N ATOM 1665 CA GLY A 107 -3.896 -8.847 6.996 1.00 0.00 C ATOM 1666 C GLY A 107 -5.356 -9.282 7.131 1.00 0.00 C ATOM 1667 O GLY A 107 -5.731 -10.360 6.671 1.00 0.00 O ATOM 0 H GLY A 107 -2.625 -9.587 5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.486 -8.626 7.982 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.839 -7.927 6.414 1.00 0.00 H new ATOM 1671 N PRO A 108 -6.162 -8.400 7.780 1.00 0.00 N ATOM 1672 CA PRO A 108 -7.573 -8.682 7.981 1.00 0.00 C ATOM 1673 C PRO A 108 -8.359 -8.497 6.682 1.00 0.00 C ATOM 1674 O PRO A 108 -9.177 -7.585 6.571 1.00 0.00 O ATOM 1675 CB PRO A 108 -8.012 -7.730 9.082 1.00 0.00 C ATOM 1676 CG PRO A 108 -6.957 -6.637 9.132 1.00 0.00 C ATOM 1677 CD PRO A 108 -5.752 -7.114 8.338 1.00 0.00 C ATOM 0 HA PRO A 108 -7.758 -9.716 8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -8.996 -7.313 8.869 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -8.085 -8.247 10.039 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -7.348 -5.710 8.712 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.675 -6.426 10.163 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.490 -6.406 7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.874 -7.221 8.976 1.00 0.00 H new ATOM 1685 N SER A 109 -8.084 -9.377 5.730 1.00 0.00 N ATOM 1686 CA SER A 109 -8.756 -9.322 4.443 1.00 0.00 C ATOM 1687 C SER A 109 -9.949 -10.280 4.434 1.00 0.00 C ATOM 1688 O SER A 109 -9.965 -11.264 5.172 1.00 0.00 O ATOM 1689 CB SER A 109 -7.793 -9.663 3.304 1.00 0.00 C ATOM 1690 OG SER A 109 -7.262 -10.980 3.430 1.00 0.00 O ATOM 0 H SER A 109 -7.405 -10.132 5.825 1.00 0.00 H new ATOM 0 HA SER A 109 -9.114 -8.304 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 109 -8.313 -9.571 2.350 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.976 -8.942 3.292 1.00 0.00 H new ATOM 0 HG SER A 109 -7.221 -11.402 2.546 1.00 0.00 H new ATOM 1696 N SER A 110 -10.918 -9.959 3.590 1.00 0.00 N ATOM 1697 CA SER A 110 -12.113 -10.779 3.475 1.00 0.00 C ATOM 1698 C SER A 110 -12.795 -10.524 2.130 1.00 0.00 C ATOM 1699 O SER A 110 -13.522 -9.543 1.974 1.00 0.00 O ATOM 1700 CB SER A 110 -13.084 -10.501 4.624 1.00 0.00 C ATOM 1701 OG SER A 110 -14.296 -11.238 4.489 1.00 0.00 O ATOM 0 H SER A 110 -10.901 -9.142 2.979 1.00 0.00 H new ATOM 0 HA SER A 110 -11.816 -11.826 3.532 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.608 -10.756 5.571 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.310 -9.435 4.658 1.00 0.00 H new ATOM 0 HG SER A 110 -14.888 -11.034 5.243 1.00 0.00 H new ATOM 1707 N GLY A 111 -12.537 -11.423 1.192 1.00 0.00 N ATOM 1708 CA GLY A 111 -13.118 -11.308 -0.135 1.00 0.00 C ATOM 1709 C GLY A 111 -12.144 -10.632 -1.103 1.00 0.00 C ATOM 1710 O GLY A 111 -12.396 -10.577 -2.305 1.00 0.00 O ATOM 0 H GLY A 111 -11.933 -12.234 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.379 -12.298 -0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.042 -10.733 -0.083 1.00 0.00 H new TER 1714 GLY A 111