USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 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 36 HIS : no HD1:sc= -0.206 X(o=-1.2,f=-1) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.947 K(o=-1.2,f=-2) USER MOD Set 2.1: A 7 THR OG1 : rot 174:sc= 1.06 USER MOD Set 2.2: A 91 THR OG1 : rot -46:sc= 1.23 USER MOD Single : A 3 LYS NZ :NH3+ -116:sc= -0.353 (180deg=-1.49) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00713 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -160:sc= 0.137 USER MOD Single : A 13 ASN : amide:sc= -1.15 K(o=-1.2,f=-5.5!) USER MOD Single : A 15 LYS NZ :NH3+ 145:sc= 0.334 (180deg=0.0292) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -165:sc=-0.00365 (180deg=-0.144) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -129:sc= -5.12! (180deg=-13.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -137:sc= 0.474 USER MOD Single : A 61 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.13) USER MOD Single : A 70 THR OG1 : rot 36:sc= -2.3! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.0324 X(o=0.032,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 173:sc= -2.79! USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 3.950 14.092 29.756 1.00 0.00 N ATOM 34 CA LYS A 3 4.872 13.354 30.613 1.00 0.00 C ATOM 35 C LYS A 3 6.102 14.197 30.924 1.00 0.00 C ATOM 36 O LYS A 3 7.234 13.729 30.804 1.00 0.00 O ATOM 37 CB LYS A 3 5.291 12.057 29.929 1.00 0.00 C ATOM 38 CG LYS A 3 4.181 11.012 29.997 1.00 0.00 C ATOM 39 CD LYS A 3 4.552 9.760 29.208 1.00 0.00 C ATOM 40 CE LYS A 3 5.858 9.156 29.715 1.00 0.00 C ATOM 41 NZ LYS A 3 7.031 9.703 28.976 1.00 0.00 N ATOM 0 HA LYS A 3 4.365 13.119 31.549 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.542 12.257 28.887 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.191 11.667 30.404 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.991 10.747 31.037 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.257 11.433 29.602 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.752 9.024 29.290 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.649 10.008 28.151 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.968 9.363 30.780 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.828 8.072 29.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.497 8.937 28.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.711 10.437 28.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.704 10.117 29.652 1.00 0.00 H new ATOM 55 N VAL A 4 5.873 15.444 31.325 1.00 0.00 N ATOM 56 CA VAL A 4 6.963 16.357 31.655 1.00 0.00 C ATOM 57 C VAL A 4 7.687 15.891 32.910 1.00 0.00 C ATOM 58 O VAL A 4 7.384 14.833 33.460 1.00 0.00 O ATOM 59 CB VAL A 4 6.416 17.765 31.871 1.00 0.00 C ATOM 60 CG1 VAL A 4 5.704 18.263 30.617 1.00 0.00 C ATOM 61 CG2 VAL A 4 5.472 17.792 33.070 1.00 0.00 C ATOM 0 H VAL A 4 4.941 15.846 31.429 1.00 0.00 H new ATOM 0 HA VAL A 4 7.669 16.367 30.825 1.00 0.00 H new ATOM 0 HB VAL A 4 7.253 18.432 32.076 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.321 19.269 30.791 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.406 18.281 29.783 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.876 17.595 30.380 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.091 18.803 33.210 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.639 17.112 32.893 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.011 17.480 33.965 1.00 0.00 H new ATOM 71 N THR A 5 8.646 16.693 33.358 1.00 0.00 N ATOM 72 CA THR A 5 9.420 16.373 34.553 1.00 0.00 C ATOM 73 C THR A 5 10.297 17.553 34.946 1.00 0.00 C ATOM 74 O THR A 5 10.671 18.369 34.104 1.00 0.00 O ATOM 75 CB THR A 5 10.290 15.145 34.299 1.00 0.00 C ATOM 76 OG1 THR A 5 10.635 15.070 32.924 1.00 0.00 O ATOM 77 CG2 THR A 5 9.569 13.871 34.729 1.00 0.00 C ATOM 0 H THR A 5 8.907 17.572 32.911 1.00 0.00 H new ATOM 0 HA THR A 5 8.729 16.160 35.369 1.00 0.00 H new ATOM 0 HB THR A 5 11.200 15.240 34.891 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.194 14.280 32.770 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.208 13.009 34.538 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.340 13.924 35.793 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.643 13.768 34.163 1.00 0.00 H new ATOM 85 N PHE A 6 10.625 17.638 36.231 1.00 0.00 N ATOM 86 CA PHE A 6 11.462 18.719 36.737 1.00 0.00 C ATOM 87 C PHE A 6 12.569 18.160 37.621 1.00 0.00 C ATOM 88 O PHE A 6 12.370 17.176 38.334 1.00 0.00 O ATOM 89 CB PHE A 6 10.615 19.711 37.529 1.00 0.00 C ATOM 90 CG PHE A 6 9.434 20.230 36.749 1.00 0.00 C ATOM 91 CD1 PHE A 6 8.258 19.499 36.705 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.522 21.440 36.077 1.00 0.00 C ATOM 93 CE1 PHE A 6 7.171 19.977 35.991 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.435 21.916 35.363 1.00 0.00 C ATOM 95 CZ PHE A 6 7.260 21.185 35.320 1.00 0.00 C ATOM 0 H PHE A 6 10.324 16.971 36.941 1.00 0.00 H new ATOM 0 HA PHE A 6 11.915 19.235 35.890 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.259 19.230 38.440 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.239 20.551 37.835 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.188 18.556 37.227 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.438 22.011 36.110 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.254 19.407 35.958 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.504 22.858 34.839 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.413 21.557 34.763 1.00 0.00 H new ATOM 105 N THR A 7 13.735 18.792 37.569 1.00 0.00 N ATOM 106 CA THR A 7 14.879 18.360 38.363 1.00 0.00 C ATOM 107 C THR A 7 15.530 19.555 39.048 1.00 0.00 C ATOM 108 O THR A 7 15.809 20.570 38.411 1.00 0.00 O ATOM 109 CB THR A 7 15.896 17.657 37.469 1.00 0.00 C ATOM 110 OG1 THR A 7 15.281 16.567 36.799 1.00 0.00 O ATOM 111 CG2 THR A 7 17.088 17.165 38.284 1.00 0.00 C ATOM 0 H THR A 7 13.914 19.608 36.984 1.00 0.00 H new ATOM 0 HA THR A 7 14.532 17.664 39.127 1.00 0.00 H new ATOM 0 HB THR A 7 16.258 18.373 36.732 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.911 16.181 36.156 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.799 16.667 37.625 1.00 0.00 H new ATOM 0 HG22 THR A 7 17.573 18.013 38.767 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.744 16.463 39.043 1.00 0.00 H new ATOM 119 N VAL A 8 15.769 19.430 40.349 1.00 0.00 N ATOM 120 CA VAL A 8 16.388 20.503 41.119 1.00 0.00 C ATOM 121 C VAL A 8 17.835 20.699 40.683 1.00 0.00 C ATOM 122 O VAL A 8 18.745 20.063 41.214 1.00 0.00 O ATOM 123 CB VAL A 8 16.332 20.175 42.608 1.00 0.00 C ATOM 124 CG1 VAL A 8 16.999 21.279 43.425 1.00 0.00 C ATOM 125 CG2 VAL A 8 14.887 19.975 43.056 1.00 0.00 C ATOM 0 H VAL A 8 15.544 18.597 40.892 1.00 0.00 H new ATOM 0 HA VAL A 8 15.839 21.427 40.937 1.00 0.00 H new ATOM 0 HB VAL A 8 16.877 19.246 42.777 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.950 21.028 44.485 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.042 21.375 43.123 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.482 22.223 43.251 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.865 19.742 44.121 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.320 20.887 42.873 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.443 19.153 42.495 1.00 0.00 H new ATOM 135 N GLU A 9 18.038 21.582 39.710 1.00 0.00 N ATOM 136 CA GLU A 9 19.375 21.864 39.197 1.00 0.00 C ATOM 137 C GLU A 9 20.297 22.302 40.329 1.00 0.00 C ATOM 138 O GLU A 9 19.843 22.591 41.436 1.00 0.00 O ATOM 139 CB GLU A 9 19.304 22.953 38.130 1.00 0.00 C ATOM 140 CG GLU A 9 18.648 22.436 36.853 1.00 0.00 C ATOM 141 CD GLU A 9 19.708 22.104 35.811 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.830 21.722 36.203 1.00 0.00 O ATOM 143 OE2 GLU A 9 19.413 22.225 34.603 1.00 0.00 O ATOM 0 H GLU A 9 17.293 22.115 39.261 1.00 0.00 H new ATOM 0 HA GLU A 9 19.778 20.954 38.752 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.740 23.804 38.512 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.309 23.312 37.906 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.055 21.548 37.074 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.963 23.186 36.458 1.00 0.00 H new ATOM 150 N LYS A 10 21.594 22.348 40.043 1.00 0.00 N ATOM 151 CA LYS A 10 22.587 22.750 41.034 1.00 0.00 C ATOM 152 C LYS A 10 22.411 24.218 41.418 1.00 0.00 C ATOM 153 O LYS A 10 22.909 24.657 42.454 1.00 0.00 O ATOM 154 CB LYS A 10 23.992 22.524 40.483 1.00 0.00 C ATOM 155 CG LYS A 10 24.692 21.376 41.206 1.00 0.00 C ATOM 156 CD LYS A 10 25.315 21.847 42.517 1.00 0.00 C ATOM 157 CE LYS A 10 26.484 20.955 42.927 1.00 0.00 C ATOM 158 NZ LYS A 10 27.790 21.636 42.699 1.00 0.00 N ATOM 0 H LYS A 10 21.983 22.111 39.130 1.00 0.00 H new ATOM 0 HA LYS A 10 22.445 22.141 41.927 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.936 22.305 39.417 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.579 23.436 40.591 1.00 0.00 H new ATOM 0 HG2 LYS A 10 23.976 20.579 41.406 1.00 0.00 H new ATOM 0 HG3 LYS A 10 25.465 20.956 40.563 1.00 0.00 H new ATOM 0 HD2 LYS A 10 25.660 22.875 42.410 1.00 0.00 H new ATOM 0 HD3 LYS A 10 24.560 21.844 43.303 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.389 20.688 43.980 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.452 20.025 42.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.565 21.005 42.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.889 21.868 41.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.828 22.510 43.261 1.00 0.00 H new ATOM 172 N GLY A 11 21.703 24.976 40.580 1.00 0.00 N ATOM 173 CA GLY A 11 21.468 26.396 40.836 1.00 0.00 C ATOM 174 C GLY A 11 21.031 26.629 42.279 1.00 0.00 C ATOM 175 O GLY A 11 21.289 27.687 42.853 1.00 0.00 O ATOM 0 H GLY A 11 21.282 24.629 39.718 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.378 26.961 40.633 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.702 26.769 40.156 1.00 0.00 H new ATOM 179 N SER A 12 20.369 25.634 42.859 1.00 0.00 N ATOM 180 CA SER A 12 19.896 25.727 44.236 1.00 0.00 C ATOM 181 C SER A 12 21.075 25.823 45.197 1.00 0.00 C ATOM 182 O SER A 12 22.082 25.135 45.028 1.00 0.00 O ATOM 183 CB SER A 12 19.045 24.507 44.576 1.00 0.00 C ATOM 184 OG SER A 12 17.776 24.594 43.947 1.00 0.00 O ATOM 0 H SER A 12 20.147 24.752 42.397 1.00 0.00 H new ATOM 0 HA SER A 12 19.289 26.627 44.338 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.555 23.599 44.254 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.918 24.435 45.656 1.00 0.00 H new ATOM 0 HG SER A 12 17.143 24.002 44.405 1.00 0.00 H new ATOM 190 N ASN A 13 20.947 26.679 46.207 1.00 0.00 N ATOM 191 CA ASN A 13 22.006 26.862 47.196 1.00 0.00 C ATOM 192 C ASN A 13 21.417 26.984 48.595 1.00 0.00 C ATOM 193 O ASN A 13 21.847 26.297 49.522 1.00 0.00 O ATOM 194 CB ASN A 13 22.819 28.111 46.866 1.00 0.00 C ATOM 195 CG ASN A 13 21.891 29.269 46.522 1.00 0.00 C ATOM 196 OD1 ASN A 13 21.309 29.897 47.406 1.00 0.00 O ATOM 197 ND2 ASN A 13 21.754 29.552 45.232 1.00 0.00 N ATOM 0 H ASN A 13 20.121 27.257 46.362 1.00 0.00 H new ATOM 0 HA ASN A 13 22.659 25.990 47.167 1.00 0.00 H new ATOM 0 HB2 ASN A 13 23.447 28.379 47.715 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.486 27.909 46.028 1.00 0.00 H new ATOM 0 HD21 ASN A 13 21.146 30.317 44.939 1.00 0.00 H new ATOM 0 HD22 ASN A 13 22.256 29.004 44.534 1.00 0.00 H new ATOM 204 N GLU A 14 20.432 27.864 48.745 1.00 0.00 N ATOM 205 CA GLU A 14 19.785 28.077 50.035 1.00 0.00 C ATOM 206 C GLU A 14 18.322 28.448 49.840 1.00 0.00 C ATOM 207 O GLU A 14 17.432 27.616 50.014 1.00 0.00 O ATOM 208 CB GLU A 14 20.503 29.183 50.803 1.00 0.00 C ATOM 209 CG GLU A 14 21.586 28.611 51.713 1.00 0.00 C ATOM 210 CD GLU A 14 21.549 29.299 53.071 1.00 0.00 C ATOM 211 OE1 GLU A 14 21.795 30.522 53.125 1.00 0.00 O ATOM 212 OE2 GLU A 14 21.275 28.614 54.079 1.00 0.00 O ATOM 0 H GLU A 14 20.064 28.441 47.989 1.00 0.00 H new ATOM 0 HA GLU A 14 19.838 27.151 50.608 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.949 29.886 50.100 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.782 29.742 51.399 1.00 0.00 H new ATOM 0 HG2 GLU A 14 21.438 27.538 51.837 1.00 0.00 H new ATOM 0 HG3 GLU A 14 22.566 28.747 51.255 1.00 0.00 H new ATOM 219 N LYS A 15 18.077 29.703 49.480 1.00 0.00 N ATOM 220 CA LYS A 15 16.718 30.186 49.262 1.00 0.00 C ATOM 221 C LYS A 15 16.386 30.250 47.771 1.00 0.00 C ATOM 222 O LYS A 15 15.353 30.797 47.386 1.00 0.00 O ATOM 223 CB LYS A 15 16.554 31.568 49.887 1.00 0.00 C ATOM 224 CG LYS A 15 17.399 32.610 49.159 1.00 0.00 C ATOM 225 CD LYS A 15 18.019 33.603 50.138 1.00 0.00 C ATOM 226 CE LYS A 15 18.856 34.651 49.410 1.00 0.00 C ATOM 227 NZ LYS A 15 18.523 36.029 49.875 1.00 0.00 N ATOM 0 H LYS A 15 18.802 30.405 49.333 1.00 0.00 H new ATOM 0 HA LYS A 15 16.029 29.486 49.734 1.00 0.00 H new ATOM 0 HB2 LYS A 15 15.505 31.861 49.856 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.844 31.531 50.937 1.00 0.00 H new ATOM 0 HG2 LYS A 15 18.187 32.112 48.594 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.780 33.145 48.439 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.231 34.096 50.708 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.644 33.069 50.854 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.915 34.454 49.577 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.684 34.576 48.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.383 36.614 49.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.817 36.449 49.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.136 35.986 50.839 1.00 0.00 H new ATOM 241 N HIS A 16 17.258 29.691 46.932 1.00 0.00 N ATOM 242 CA HIS A 16 17.038 29.697 45.490 1.00 0.00 C ATOM 243 C HIS A 16 16.608 28.316 45.014 1.00 0.00 C ATOM 244 O HIS A 16 17.287 27.321 45.268 1.00 0.00 O ATOM 245 CB HIS A 16 18.314 30.119 44.769 1.00 0.00 C ATOM 246 CG HIS A 16 18.354 31.586 44.473 1.00 0.00 C ATOM 247 ND1 HIS A 16 18.745 32.528 45.389 1.00 0.00 N ATOM 248 CD2 HIS A 16 18.050 32.292 43.353 1.00 0.00 C ATOM 249 CE1 HIS A 16 18.688 33.735 44.876 1.00 0.00 C ATOM 250 NE2 HIS A 16 18.265 33.630 43.626 1.00 0.00 N ATOM 0 H HIS A 16 18.119 29.231 47.227 1.00 0.00 H new ATOM 0 HA HIS A 16 16.246 30.410 45.262 1.00 0.00 H new ATOM 0 HB2 HIS A 16 19.176 29.852 45.380 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.400 29.562 43.836 1.00 0.00 H new ATOM 0 HD2 HIS A 16 17.702 31.881 42.417 1.00 0.00 H new ATOM 0 HE1 HIS A 16 18.942 34.653 45.385 1.00 0.00 H new ATOM 0 HE2 HIS A 16 18.122 34.403 42.976 1.00 0.00 H new ATOM 258 N LEU A 17 15.475 28.261 44.320 1.00 0.00 N ATOM 259 CA LEU A 17 14.952 27.000 43.806 1.00 0.00 C ATOM 260 C LEU A 17 15.067 26.960 42.288 1.00 0.00 C ATOM 261 O LEU A 17 14.289 27.599 41.579 1.00 0.00 O ATOM 262 CB LEU A 17 13.493 26.830 44.223 1.00 0.00 C ATOM 263 CG LEU A 17 13.216 25.416 44.726 1.00 0.00 C ATOM 264 CD1 LEU A 17 13.337 24.407 43.588 1.00 0.00 C ATOM 265 CD2 LEU A 17 14.165 25.055 45.866 1.00 0.00 C ATOM 0 H LEU A 17 14.902 29.076 44.101 1.00 0.00 H new ATOM 0 HA LEU A 17 15.539 26.182 44.224 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.251 27.549 45.005 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.843 27.050 43.376 1.00 0.00 H new ATOM 0 HG LEU A 17 12.195 25.383 45.106 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.136 23.405 43.967 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.617 24.651 42.807 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.345 24.443 43.175 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.951 24.043 46.211 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.195 25.108 45.513 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.027 25.756 46.690 1.00 0.00 H new ATOM 277 N ALA A 18 16.043 26.206 41.795 1.00 0.00 N ATOM 278 CA ALA A 18 16.265 26.079 40.358 1.00 0.00 C ATOM 279 C ALA A 18 15.905 24.675 39.890 1.00 0.00 C ATOM 280 O ALA A 18 16.593 23.708 40.213 1.00 0.00 O ATOM 281 CB ALA A 18 17.726 26.377 40.030 1.00 0.00 C ATOM 0 H ALA A 18 16.695 25.672 42.370 1.00 0.00 H new ATOM 0 HA ALA A 18 15.628 26.796 39.840 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.885 26.280 38.956 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.969 27.392 40.343 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.368 25.671 40.557 1.00 0.00 H new ATOM 287 N VAL A 19 14.821 24.569 39.127 1.00 0.00 N ATOM 288 CA VAL A 19 14.371 23.280 38.615 1.00 0.00 C ATOM 289 C VAL A 19 14.987 23.005 37.251 1.00 0.00 C ATOM 290 O VAL A 19 15.901 23.704 36.815 1.00 0.00 O ATOM 291 CB VAL A 19 12.841 23.252 38.527 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.226 23.720 39.842 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.337 24.112 37.368 1.00 0.00 C ATOM 0 H VAL A 19 14.239 25.360 38.850 1.00 0.00 H new ATOM 0 HA VAL A 19 14.696 22.499 39.302 1.00 0.00 H new ATOM 0 HB VAL A 19 12.534 22.223 38.340 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.139 23.695 39.765 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.548 23.061 40.649 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.551 24.739 40.054 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.248 24.072 37.332 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.657 25.144 37.514 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.745 23.735 36.431 1.00 0.00 H new ATOM 303 N LEU A 20 14.474 21.983 36.587 1.00 0.00 N ATOM 304 CA LEU A 20 14.961 21.601 35.267 1.00 0.00 C ATOM 305 C LEU A 20 13.802 21.170 34.374 1.00 0.00 C ATOM 306 O LEU A 20 13.517 19.980 34.240 1.00 0.00 O ATOM 307 CB LEU A 20 15.972 20.466 35.396 1.00 0.00 C ATOM 308 CG LEU A 20 16.985 20.497 34.257 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.132 19.529 34.535 1.00 0.00 C ATOM 310 CD2 LEU A 20 16.309 20.163 32.932 1.00 0.00 C ATOM 0 H LEU A 20 13.716 21.399 36.940 1.00 0.00 H new ATOM 0 HA LEU A 20 15.447 22.463 34.811 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.492 20.546 36.351 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.450 19.509 35.396 1.00 0.00 H new ATOM 0 HG LEU A 20 17.396 21.504 34.188 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.845 19.564 33.712 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.632 19.814 35.461 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.739 18.517 34.631 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.047 20.190 32.130 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.870 19.167 32.988 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.526 20.893 32.729 1.00 0.00 H new ATOM 322 N VAL A 21 13.139 22.147 33.762 1.00 0.00 N ATOM 323 CA VAL A 21 12.009 21.876 32.876 1.00 0.00 C ATOM 324 C VAL A 21 12.448 21.996 31.417 1.00 0.00 C ATOM 325 O VAL A 21 12.509 23.093 30.863 1.00 0.00 O ATOM 326 CB VAL A 21 10.864 22.848 33.184 1.00 0.00 C ATOM 327 CG1 VAL A 21 11.392 24.267 33.306 1.00 0.00 C ATOM 328 CG2 VAL A 21 9.762 22.768 32.127 1.00 0.00 C ATOM 0 H VAL A 21 13.365 23.136 33.863 1.00 0.00 H new ATOM 0 HA VAL A 21 11.654 20.859 33.043 1.00 0.00 H new ATOM 0 HB VAL A 21 10.425 22.557 34.138 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.567 24.945 33.525 1.00 0.00 H new ATOM 0 HG12 VAL A 21 12.124 24.315 34.112 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.864 24.561 32.369 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.967 23.470 32.377 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.175 23.020 31.151 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.357 21.756 32.099 1.00 0.00 H new ATOM 338 N LYS A 22 12.751 20.858 30.801 1.00 0.00 N ATOM 339 CA LYS A 22 13.184 20.831 29.407 1.00 0.00 C ATOM 340 C LYS A 22 12.669 19.573 28.719 1.00 0.00 C ATOM 341 O LYS A 22 11.773 19.640 27.877 1.00 0.00 O ATOM 342 CB LYS A 22 14.708 20.884 29.332 1.00 0.00 C ATOM 343 CG LYS A 22 15.190 20.999 27.889 1.00 0.00 C ATOM 344 CD LYS A 22 16.693 21.257 27.827 1.00 0.00 C ATOM 345 CE LYS A 22 17.056 22.577 28.502 1.00 0.00 C ATOM 346 NZ LYS A 22 18.002 23.372 27.668 1.00 0.00 N ATOM 0 H LYS A 22 12.705 19.941 31.245 1.00 0.00 H new ATOM 0 HA LYS A 22 12.774 21.702 28.895 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.073 21.734 29.908 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.128 19.987 29.787 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.953 20.082 27.350 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.659 21.809 27.389 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.225 20.439 28.313 1.00 0.00 H new ATOM 0 HD3 LYS A 22 17.019 21.276 26.787 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.151 23.157 28.681 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.505 22.378 29.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.229 24.263 28.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.875 22.827 27.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.563 23.581 26.749 1.00 0.00 H new ATOM 360 N TYR A 23 13.239 18.424 29.086 1.00 0.00 N ATOM 361 CA TYR A 23 12.843 17.136 28.513 1.00 0.00 C ATOM 362 C TYR A 23 12.688 17.234 26.998 1.00 0.00 C ATOM 363 O TYR A 23 13.060 18.237 26.389 1.00 0.00 O ATOM 364 CB TYR A 23 11.533 16.667 29.147 1.00 0.00 C ATOM 365 CG TYR A 23 10.383 17.609 28.896 1.00 0.00 C ATOM 366 CD1 TYR A 23 9.723 17.593 27.679 1.00 0.00 C ATOM 367 CD2 TYR A 23 9.985 18.494 29.884 1.00 0.00 C ATOM 368 CE1 TYR A 23 8.668 18.460 27.451 1.00 0.00 C ATOM 369 CE2 TYR A 23 8.929 19.359 29.654 1.00 0.00 C ATOM 370 CZ TYR A 23 8.276 19.338 28.439 1.00 0.00 C ATOM 371 OH TYR A 23 7.226 20.199 28.212 1.00 0.00 O ATOM 0 H TYR A 23 13.981 18.359 29.782 1.00 0.00 H new ATOM 0 HA TYR A 23 13.627 16.410 28.726 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.280 15.682 28.756 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.676 16.556 30.222 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.031 16.904 26.907 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.499 18.509 30.834 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.153 18.449 26.502 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.617 20.049 30.424 1.00 0.00 H new ATOM 0 HH TYR A 23 7.077 20.750 29.009 1.00 0.00 H new ATOM 381 N GLU A 24 12.139 16.185 26.394 1.00 0.00 N ATOM 382 CA GLU A 24 11.934 16.152 24.950 1.00 0.00 C ATOM 383 C GLU A 24 10.465 15.907 24.631 1.00 0.00 C ATOM 384 O GLU A 24 9.773 15.197 25.361 1.00 0.00 O ATOM 385 CB GLU A 24 12.791 15.055 24.327 1.00 0.00 C ATOM 386 CG GLU A 24 13.373 15.502 22.989 1.00 0.00 C ATOM 387 CD GLU A 24 14.867 15.764 23.126 1.00 0.00 C ATOM 388 OE1 GLU A 24 15.244 16.696 23.867 1.00 0.00 O ATOM 389 OE2 GLU A 24 15.659 15.036 22.492 1.00 0.00 O ATOM 0 H GLU A 24 11.828 15.346 26.883 1.00 0.00 H new ATOM 0 HA GLU A 24 12.228 17.115 24.532 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.600 14.791 25.008 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.189 14.157 24.183 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.199 14.735 22.234 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.868 16.406 22.648 1.00 0.00 H new ATOM 396 N GLY A 25 9.994 16.496 23.537 1.00 0.00 N ATOM 397 CA GLY A 25 8.604 16.340 23.121 1.00 0.00 C ATOM 398 C GLY A 25 7.997 17.685 22.743 1.00 0.00 C ATOM 399 O GLY A 25 7.537 17.874 21.616 1.00 0.00 O ATOM 0 H GLY A 25 10.554 17.086 22.922 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.548 15.659 22.271 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.027 15.890 23.928 1.00 0.00 H new ATOM 403 N ASP A 26 7.996 18.618 23.689 1.00 0.00 N ATOM 404 CA ASP A 26 7.443 19.948 23.454 1.00 0.00 C ATOM 405 C ASP A 26 8.550 20.994 23.475 1.00 0.00 C ATOM 406 O ASP A 26 9.729 20.666 23.350 1.00 0.00 O ATOM 407 CB ASP A 26 6.398 20.274 24.517 1.00 0.00 C ATOM 408 CG ASP A 26 5.061 20.592 23.861 1.00 0.00 C ATOM 409 OD1 ASP A 26 4.919 21.701 23.305 1.00 0.00 O ATOM 410 OD2 ASP A 26 4.157 19.731 23.904 1.00 0.00 O ATOM 0 H ASP A 26 8.372 18.478 24.627 1.00 0.00 H new ATOM 0 HA ASP A 26 6.969 19.960 22.473 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.286 19.430 25.198 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.729 21.123 25.114 1.00 0.00 H new ATOM 415 N THR A 27 8.164 22.256 23.634 1.00 0.00 N ATOM 416 CA THR A 27 9.127 23.352 23.672 1.00 0.00 C ATOM 417 C THR A 27 9.044 24.088 25.002 1.00 0.00 C ATOM 418 O THR A 27 8.314 23.679 25.905 1.00 0.00 O ATOM 419 CB THR A 27 8.859 24.323 22.525 1.00 0.00 C ATOM 420 OG1 THR A 27 8.018 23.712 21.558 1.00 0.00 O ATOM 421 CG2 THR A 27 10.166 24.768 21.875 1.00 0.00 C ATOM 0 H THR A 27 7.192 22.545 23.739 1.00 0.00 H new ATOM 0 HA THR A 27 10.129 22.937 23.564 1.00 0.00 H new ATOM 0 HB THR A 27 8.359 25.203 22.929 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.849 24.342 20.826 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.950 25.459 21.060 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.791 25.265 22.617 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.692 23.898 21.483 1.00 0.00 H new ATOM 429 N MET A 28 9.797 25.176 25.117 1.00 0.00 N ATOM 430 CA MET A 28 9.813 25.975 26.338 1.00 0.00 C ATOM 431 C MET A 28 9.372 27.400 26.039 1.00 0.00 C ATOM 432 O MET A 28 10.002 28.102 25.248 1.00 0.00 O ATOM 433 CB MET A 28 11.213 25.985 26.936 1.00 0.00 C ATOM 434 CG MET A 28 11.652 24.580 27.339 1.00 0.00 C ATOM 435 SD MET A 28 13.418 24.316 27.103 1.00 0.00 S ATOM 436 CE MET A 28 13.507 24.209 25.309 1.00 0.00 C ATOM 0 H MET A 28 10.406 25.526 24.378 1.00 0.00 H new ATOM 0 HA MET A 28 9.121 25.532 27.054 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.917 26.395 26.212 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.234 26.639 27.808 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.399 24.410 28.385 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.097 23.847 26.754 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.469 23.788 25.017 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.704 23.569 24.942 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.402 25.205 24.879 1.00 0.00 H new ATOM 446 N ALA A 29 8.285 27.821 26.672 1.00 0.00 N ATOM 447 CA ALA A 29 7.754 29.163 26.469 1.00 0.00 C ATOM 448 C ALA A 29 7.717 29.930 27.784 1.00 0.00 C ATOM 449 O ALA A 29 8.354 30.974 27.922 1.00 0.00 O ATOM 450 CB ALA A 29 6.351 29.074 25.880 1.00 0.00 C ATOM 0 H ALA A 29 7.753 27.252 27.331 1.00 0.00 H new ATOM 0 HA ALA A 29 8.406 29.697 25.777 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.955 30.078 25.729 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.390 28.552 24.924 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.703 28.528 26.565 1.00 0.00 H new ATOM 456 N GLU A 30 6.965 29.408 28.747 1.00 0.00 N ATOM 457 CA GLU A 30 6.842 30.048 30.052 1.00 0.00 C ATOM 458 C GLU A 30 6.556 29.013 31.131 1.00 0.00 C ATOM 459 O GLU A 30 6.252 27.858 30.834 1.00 0.00 O ATOM 460 CB GLU A 30 5.721 31.082 30.018 1.00 0.00 C ATOM 461 CG GLU A 30 6.123 32.356 30.757 1.00 0.00 C ATOM 462 CD GLU A 30 6.409 33.475 29.764 1.00 0.00 C ATOM 463 OE1 GLU A 30 5.777 33.492 28.686 1.00 0.00 O ATOM 464 OE2 GLU A 30 7.264 34.334 30.065 1.00 0.00 O ATOM 0 H GLU A 30 6.432 28.544 28.649 1.00 0.00 H new ATOM 0 HA GLU A 30 7.784 30.543 30.286 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.474 31.321 28.984 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.823 30.663 30.472 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.325 32.658 31.436 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.006 32.167 31.367 1.00 0.00 H new ATOM 471 N VAL A 31 6.656 29.438 32.387 1.00 0.00 N ATOM 472 CA VAL A 31 6.408 28.551 33.521 1.00 0.00 C ATOM 473 C VAL A 31 6.573 29.319 34.830 1.00 0.00 C ATOM 474 O VAL A 31 7.424 30.199 34.947 1.00 0.00 O ATOM 475 CB VAL A 31 7.344 27.320 33.456 1.00 0.00 C ATOM 476 CG1 VAL A 31 8.702 27.681 32.861 1.00 0.00 C ATOM 477 CG2 VAL A 31 7.530 26.658 34.825 1.00 0.00 C ATOM 0 H VAL A 31 6.907 30.392 32.646 1.00 0.00 H new ATOM 0 HA VAL A 31 5.382 28.185 33.475 1.00 0.00 H new ATOM 0 HB VAL A 31 6.855 26.599 32.800 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.334 26.793 32.831 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.566 28.064 31.850 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.178 28.444 33.477 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.195 25.800 34.727 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.965 27.376 35.520 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.563 26.327 35.203 1.00 0.00 H new ATOM 487 N GLU A 32 5.740 28.971 35.806 1.00 0.00 N ATOM 488 CA GLU A 32 5.765 29.610 37.112 1.00 0.00 C ATOM 489 C GLU A 32 5.504 28.576 38.201 1.00 0.00 C ATOM 490 O GLU A 32 5.104 27.448 37.912 1.00 0.00 O ATOM 491 CB GLU A 32 4.707 30.704 37.160 1.00 0.00 C ATOM 492 CG GLU A 32 3.305 30.127 36.986 1.00 0.00 C ATOM 493 CD GLU A 32 2.430 31.097 36.201 1.00 0.00 C ATOM 494 OE1 GLU A 32 2.938 31.716 35.243 1.00 0.00 O ATOM 495 OE2 GLU A 32 1.238 31.236 36.546 1.00 0.00 O ATOM 0 H GLU A 32 5.033 28.242 35.712 1.00 0.00 H new ATOM 0 HA GLU A 32 6.746 30.054 37.281 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.770 31.232 38.111 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.901 31.436 36.376 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.359 29.171 36.465 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.860 29.933 37.962 1.00 0.00 H new ATOM 502 N LEU A 33 5.733 28.960 39.453 1.00 0.00 N ATOM 503 CA LEU A 33 5.522 28.052 40.577 1.00 0.00 C ATOM 504 C LEU A 33 4.514 28.635 41.561 1.00 0.00 C ATOM 505 O LEU A 33 4.071 29.773 41.411 1.00 0.00 O ATOM 506 CB LEU A 33 6.854 27.768 41.274 1.00 0.00 C ATOM 507 CG LEU A 33 7.328 28.955 42.109 1.00 0.00 C ATOM 508 CD1 LEU A 33 6.688 28.912 43.492 1.00 0.00 C ATOM 509 CD2 LEU A 33 8.850 28.961 42.220 1.00 0.00 C ATOM 0 H LEU A 33 6.063 29.889 39.715 1.00 0.00 H new ATOM 0 HA LEU A 33 5.116 27.114 40.197 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.748 26.893 41.915 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.610 27.526 40.527 1.00 0.00 H new ATOM 0 HG LEU A 33 7.021 29.875 41.612 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.033 29.763 44.079 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.603 28.955 43.393 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.969 27.987 43.995 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.168 29.815 42.819 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.184 28.039 42.696 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.287 29.034 41.224 1.00 0.00 H new ATOM 521 N ARG A 34 4.159 27.846 42.572 1.00 0.00 N ATOM 522 CA ARG A 34 3.206 28.284 43.585 1.00 0.00 C ATOM 523 C ARG A 34 3.801 28.103 44.985 1.00 0.00 C ATOM 524 O ARG A 34 4.519 28.978 45.469 1.00 0.00 O ATOM 525 CB ARG A 34 1.893 27.513 43.433 1.00 0.00 C ATOM 526 CG ARG A 34 0.889 27.892 44.521 1.00 0.00 C ATOM 527 CD ARG A 34 -0.077 26.745 44.806 1.00 0.00 C ATOM 528 NE ARG A 34 -1.167 26.747 43.836 1.00 0.00 N ATOM 529 CZ ARG A 34 -2.437 26.852 44.213 1.00 0.00 C ATOM 530 NH1 ARG A 34 -3.021 25.858 44.867 1.00 0.00 N ATOM 531 NH2 ARG A 34 -3.125 27.951 43.935 1.00 0.00 N ATOM 0 H ARG A 34 4.517 26.901 42.710 1.00 0.00 H new ATOM 0 HA ARG A 34 2.995 29.344 43.447 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.462 27.717 42.453 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.092 26.442 43.478 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.422 28.157 45.434 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.329 28.774 44.211 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.454 25.794 44.764 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.479 26.841 45.815 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.949 26.666 42.843 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.496 25.011 45.082 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.996 25.941 45.156 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.680 28.718 43.431 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.100 28.030 44.225 1.00 0.00 H new ATOM 545 N GLU A 35 3.510 26.970 45.637 1.00 0.00 N ATOM 546 CA GLU A 35 4.027 26.690 46.981 1.00 0.00 C ATOM 547 C GLU A 35 3.229 25.565 47.629 1.00 0.00 C ATOM 548 O GLU A 35 3.779 24.750 48.369 1.00 0.00 O ATOM 549 CB GLU A 35 3.950 27.937 47.862 1.00 0.00 C ATOM 550 CG GLU A 35 5.325 28.572 48.042 1.00 0.00 C ATOM 551 CD GLU A 35 5.703 28.602 49.518 1.00 0.00 C ATOM 552 OE1 GLU A 35 5.401 27.620 50.229 1.00 0.00 O ATOM 553 OE2 GLU A 35 6.299 29.606 49.960 1.00 0.00 O ATOM 0 H GLU A 35 2.919 26.232 45.254 1.00 0.00 H new ATOM 0 HA GLU A 35 5.070 26.388 46.885 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.269 28.660 47.414 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.539 27.672 48.836 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.070 28.009 47.480 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.321 29.585 47.640 1.00 0.00 H new ATOM 560 N HIS A 36 1.922 25.538 47.348 1.00 0.00 N ATOM 561 CA HIS A 36 1.004 24.526 47.895 1.00 0.00 C ATOM 562 C HIS A 36 0.469 24.948 49.263 1.00 0.00 C ATOM 563 O HIS A 36 -0.528 24.401 49.736 1.00 0.00 O ATOM 564 CB HIS A 36 1.686 23.162 48.003 1.00 0.00 C ATOM 565 CG HIS A 36 0.712 22.025 47.962 1.00 0.00 C ATOM 566 ND1 HIS A 36 0.977 20.787 48.490 1.00 0.00 N ATOM 567 CD2 HIS A 36 -0.544 21.927 47.454 1.00 0.00 C ATOM 568 CE1 HIS A 36 -0.043 19.977 48.323 1.00 0.00 C ATOM 569 NE2 HIS A 36 -0.996 20.642 47.690 1.00 0.00 N ATOM 0 H HIS A 36 1.468 26.216 46.735 1.00 0.00 H new ATOM 0 HA HIS A 36 0.166 24.443 47.203 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.401 23.052 47.188 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.253 23.116 48.933 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.092 22.713 46.955 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.095 18.948 48.646 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.907 20.270 47.422 1.00 0.00 H new ATOM 577 N GLY A 37 1.122 25.921 49.897 1.00 0.00 N ATOM 578 CA GLY A 37 0.692 26.404 51.204 1.00 0.00 C ATOM 579 C GLY A 37 -0.008 27.749 51.069 1.00 0.00 C ATOM 580 O GLY A 37 -0.866 28.100 51.879 1.00 0.00 O ATOM 0 H GLY A 37 1.949 26.388 49.526 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.018 25.680 51.662 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.554 26.500 51.865 1.00 0.00 H new ATOM 584 N SER A 38 0.362 28.498 50.034 1.00 0.00 N ATOM 585 CA SER A 38 -0.230 29.807 49.782 1.00 0.00 C ATOM 586 C SER A 38 -1.538 29.652 49.015 1.00 0.00 C ATOM 587 O SER A 38 -2.149 28.583 49.025 1.00 0.00 O ATOM 588 CB SER A 38 0.744 30.673 48.988 1.00 0.00 C ATOM 589 OG SER A 38 2.085 30.349 49.323 1.00 0.00 O ATOM 0 H SER A 38 1.071 28.219 49.355 1.00 0.00 H new ATOM 0 HA SER A 38 -0.439 30.291 50.736 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.584 30.525 47.920 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.556 31.726 49.196 1.00 0.00 H new ATOM 0 HG SER A 38 2.697 30.912 48.804 1.00 0.00 H new ATOM 595 N ASP A 39 -1.966 30.721 48.350 1.00 0.00 N ATOM 596 CA ASP A 39 -3.205 30.696 47.578 1.00 0.00 C ATOM 597 C ASP A 39 -3.044 31.478 46.279 1.00 0.00 C ATOM 598 O ASP A 39 -4.025 31.957 45.709 1.00 0.00 O ATOM 599 CB ASP A 39 -4.343 31.288 48.403 1.00 0.00 C ATOM 600 CG ASP A 39 -3.951 32.660 48.935 1.00 0.00 C ATOM 601 OD1 ASP A 39 -3.021 33.274 48.371 1.00 0.00 O ATOM 602 OD2 ASP A 39 -4.574 33.119 49.915 1.00 0.00 O ATOM 0 H ASP A 39 -1.474 31.614 48.330 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.440 29.660 47.332 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.241 31.371 47.790 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.584 30.624 49.233 1.00 0.00 H new ATOM 607 N GLU A 40 -1.805 31.604 45.813 1.00 0.00 N ATOM 608 CA GLU A 40 -1.521 32.328 44.578 1.00 0.00 C ATOM 609 C GLU A 40 -0.207 31.855 43.974 1.00 0.00 C ATOM 610 O GLU A 40 0.714 31.463 44.691 1.00 0.00 O ATOM 611 CB GLU A 40 -1.453 33.826 44.853 1.00 0.00 C ATOM 612 CG GLU A 40 -2.742 34.519 44.426 1.00 0.00 C ATOM 613 CD GLU A 40 -2.665 36.010 44.727 1.00 0.00 C ATOM 614 OE1 GLU A 40 -2.123 36.375 45.792 1.00 0.00 O ATOM 615 OE2 GLU A 40 -3.145 36.811 43.897 1.00 0.00 O ATOM 0 H GLU A 40 -0.982 31.214 46.272 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.325 32.130 43.869 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.279 33.997 45.915 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.608 34.260 44.318 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.910 34.364 43.360 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.590 34.079 44.950 1.00 0.00 H new ATOM 622 N TRP A 41 -0.127 31.896 42.650 1.00 0.00 N ATOM 623 CA TRP A 41 1.075 31.475 41.939 1.00 0.00 C ATOM 624 C TRP A 41 2.064 32.630 41.848 1.00 0.00 C ATOM 625 O TRP A 41 1.675 33.797 41.891 1.00 0.00 O ATOM 626 CB TRP A 41 0.707 31.003 40.537 1.00 0.00 C ATOM 627 CG TRP A 41 -0.246 29.849 40.542 1.00 0.00 C ATOM 628 CD1 TRP A 41 -1.585 29.892 40.820 1.00 0.00 C ATOM 629 CD2 TRP A 41 0.063 28.470 40.250 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.098 28.630 40.714 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.127 27.741 40.369 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.228 27.785 39.900 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -1.178 26.374 40.150 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.185 26.415 39.679 1.00 0.00 C ATOM 635 CH2 TRP A 41 -0.008 25.715 39.804 1.00 0.00 C ATOM 0 H TRP A 41 -0.882 32.217 42.045 1.00 0.00 H new ATOM 0 HA TRP A 41 1.538 30.654 42.487 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.263 31.832 39.985 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.615 30.716 40.006 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.145 30.778 41.081 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.076 28.387 40.872 1.00 0.00 H new ATOM 0 HE3 TRP A 41 2.161 28.320 39.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.108 25.834 40.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.088 25.889 39.407 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.025 24.649 39.630 1.00 0.00 H new ATOM 646 N VAL A 42 3.345 32.301 41.715 1.00 0.00 N ATOM 647 CA VAL A 42 4.387 33.317 41.611 1.00 0.00 C ATOM 648 C VAL A 42 5.196 33.110 40.338 1.00 0.00 C ATOM 649 O VAL A 42 6.002 32.183 40.244 1.00 0.00 O ATOM 650 CB VAL A 42 5.304 33.258 42.829 1.00 0.00 C ATOM 651 CG1 VAL A 42 4.514 33.533 44.106 1.00 0.00 C ATOM 652 CG2 VAL A 42 6.001 31.904 42.910 1.00 0.00 C ATOM 0 H VAL A 42 3.686 31.341 41.677 1.00 0.00 H new ATOM 0 HA VAL A 42 3.915 34.299 41.573 1.00 0.00 H new ATOM 0 HB VAL A 42 6.067 34.029 42.724 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.183 33.487 44.965 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.064 34.524 44.049 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.730 32.784 44.217 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.651 31.881 43.785 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.254 31.115 42.992 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.597 31.747 42.011 1.00 0.00 H new ATOM 662 N ALA A 43 4.973 33.978 39.356 1.00 0.00 N ATOM 663 CA ALA A 43 5.675 33.895 38.078 1.00 0.00 C ATOM 664 C ALA A 43 7.175 33.748 38.296 1.00 0.00 C ATOM 665 O ALA A 43 7.822 34.637 38.850 1.00 0.00 O ATOM 666 CB ALA A 43 5.391 35.144 37.250 1.00 0.00 C ATOM 0 H ALA A 43 4.309 34.750 39.421 1.00 0.00 H new ATOM 0 HA ALA A 43 5.316 33.016 37.542 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.917 35.077 36.298 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.319 35.224 37.068 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.733 36.026 37.792 1.00 0.00 H new ATOM 672 N MET A 44 7.723 32.620 37.855 1.00 0.00 N ATOM 673 CA MET A 44 9.147 32.351 37.997 1.00 0.00 C ATOM 674 C MET A 44 9.963 33.491 37.407 1.00 0.00 C ATOM 675 O MET A 44 9.419 34.529 37.031 1.00 0.00 O ATOM 676 CB MET A 44 9.499 31.047 37.292 1.00 0.00 C ATOM 677 CG MET A 44 9.520 29.879 38.270 1.00 0.00 C ATOM 678 SD MET A 44 11.179 29.518 38.868 1.00 0.00 S ATOM 679 CE MET A 44 10.864 28.093 39.921 1.00 0.00 C ATOM 0 H MET A 44 7.199 31.876 37.395 1.00 0.00 H new ATOM 0 HA MET A 44 9.382 32.263 39.058 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.774 30.850 36.502 1.00 0.00 H new ATOM 0 HB3 MET A 44 10.474 31.141 36.813 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.872 30.106 39.117 1.00 0.00 H new ATOM 0 HG3 MET A 44 9.111 28.993 37.784 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.311 28.259 40.901 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.789 27.953 40.032 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.301 27.203 39.469 1.00 0.00 H new ATOM 689 N THR A 45 11.272 33.290 37.328 1.00 0.00 N ATOM 690 CA THR A 45 12.168 34.302 36.784 1.00 0.00 C ATOM 691 C THR A 45 13.389 33.647 36.154 1.00 0.00 C ATOM 692 O THR A 45 14.118 32.908 36.815 1.00 0.00 O ATOM 693 CB THR A 45 12.604 35.255 37.890 1.00 0.00 C ATOM 694 OG1 THR A 45 11.466 35.776 38.560 1.00 0.00 O ATOM 695 CG2 THR A 45 13.445 36.394 37.323 1.00 0.00 C ATOM 0 H THR A 45 11.737 32.435 37.634 1.00 0.00 H new ATOM 0 HA THR A 45 11.637 34.863 36.015 1.00 0.00 H new ATOM 0 HB THR A 45 13.214 34.699 38.602 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.755 36.386 39.270 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.745 37.062 38.131 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.333 35.985 36.841 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.859 36.950 36.591 1.00 0.00 H new ATOM 703 N LYS A 46 13.611 33.927 34.875 1.00 0.00 N ATOM 704 CA LYS A 46 14.750 33.369 34.157 1.00 0.00 C ATOM 705 C LYS A 46 16.046 33.961 34.692 1.00 0.00 C ATOM 706 O LYS A 46 16.732 34.710 33.997 1.00 0.00 O ATOM 707 CB LYS A 46 14.621 33.659 32.665 1.00 0.00 C ATOM 708 CG LYS A 46 14.410 35.149 32.405 1.00 0.00 C ATOM 709 CD LYS A 46 15.073 35.583 31.101 1.00 0.00 C ATOM 710 CE LYS A 46 14.638 34.697 29.936 1.00 0.00 C ATOM 711 NZ LYS A 46 14.601 35.461 28.657 1.00 0.00 N ATOM 0 H LYS A 46 13.017 34.537 34.314 1.00 0.00 H new ATOM 0 HA LYS A 46 14.766 32.290 34.307 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.519 33.321 32.148 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.785 33.094 32.254 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.343 35.365 32.362 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.820 35.727 33.234 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.816 36.620 30.887 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.157 35.539 31.209 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.325 33.856 29.840 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.652 34.281 30.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.302 34.831 27.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.927 36.248 28.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.548 35.837 28.450 1.00 0.00 H new ATOM 725 N GLY A 47 16.376 33.620 35.933 1.00 0.00 N ATOM 726 CA GLY A 47 17.591 34.118 36.567 1.00 0.00 C ATOM 727 C GLY A 47 18.753 33.167 36.320 1.00 0.00 C ATOM 728 O GLY A 47 19.914 33.576 36.317 1.00 0.00 O ATOM 0 H GLY A 47 15.818 33.000 36.520 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.833 35.106 36.175 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.428 34.231 37.639 1.00 0.00 H new ATOM 732 N GLU A 48 18.434 31.895 36.110 1.00 0.00 N ATOM 733 CA GLU A 48 19.452 30.883 35.860 1.00 0.00 C ATOM 734 C GLU A 48 19.670 30.714 34.362 1.00 0.00 C ATOM 735 O GLU A 48 18.717 30.546 33.601 1.00 0.00 O ATOM 736 CB GLU A 48 19.032 29.554 36.479 1.00 0.00 C ATOM 737 CG GLU A 48 20.229 28.620 36.634 1.00 0.00 C ATOM 738 CD GLU A 48 21.123 29.093 37.774 1.00 0.00 C ATOM 739 OE1 GLU A 48 20.972 30.255 38.205 1.00 0.00 O ATOM 740 OE2 GLU A 48 21.971 28.300 38.234 1.00 0.00 O ATOM 0 H GLU A 48 17.478 31.540 36.108 1.00 0.00 H new ATOM 0 HA GLU A 48 20.387 31.207 36.317 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.576 29.731 37.453 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.275 29.080 35.853 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.884 27.605 36.830 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.798 28.589 35.705 1.00 0.00 H new ATOM 747 N GLY A 49 20.929 30.762 33.945 1.00 0.00 N ATOM 748 CA GLY A 49 21.277 30.618 32.537 1.00 0.00 C ATOM 749 C GLY A 49 21.134 29.170 32.087 1.00 0.00 C ATOM 750 O GLY A 49 22.121 28.516 31.751 1.00 0.00 O ATOM 0 H GLY A 49 21.728 30.900 34.564 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.633 31.256 31.932 1.00 0.00 H new ATOM 0 HA3 GLY A 49 22.301 30.954 32.375 1.00 0.00 H new ATOM 754 N GLY A 50 19.900 28.674 32.079 1.00 0.00 N ATOM 755 CA GLY A 50 19.634 27.301 31.664 1.00 0.00 C ATOM 756 C GLY A 50 18.302 26.809 32.218 1.00 0.00 C ATOM 757 O GLY A 50 17.590 26.052 31.559 1.00 0.00 O ATOM 0 H GLY A 50 19.071 29.201 32.354 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.623 27.242 30.576 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.438 26.651 32.010 1.00 0.00 H new ATOM 761 N VAL A 51 17.971 27.236 33.433 1.00 0.00 N ATOM 762 CA VAL A 51 16.723 26.827 34.069 1.00 0.00 C ATOM 763 C VAL A 51 16.034 28.016 34.726 1.00 0.00 C ATOM 764 O VAL A 51 16.492 29.154 34.615 1.00 0.00 O ATOM 765 CB VAL A 51 16.999 25.750 35.111 1.00 0.00 C ATOM 766 CG1 VAL A 51 17.509 24.477 34.441 1.00 0.00 C ATOM 767 CG2 VAL A 51 18.004 26.249 36.143 1.00 0.00 C ATOM 0 H VAL A 51 18.547 27.863 33.995 1.00 0.00 H new ATOM 0 HA VAL A 51 16.062 26.426 33.300 1.00 0.00 H new ATOM 0 HB VAL A 51 16.065 25.520 35.624 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.701 23.718 35.200 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.759 24.109 33.741 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.432 24.694 33.903 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.189 25.466 36.879 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.939 26.507 35.645 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.604 27.131 36.644 1.00 0.00 H new ATOM 777 N TRP A 52 14.922 27.743 35.400 1.00 0.00 N ATOM 778 CA TRP A 52 14.148 28.784 36.071 1.00 0.00 C ATOM 779 C TRP A 52 14.424 28.772 37.568 1.00 0.00 C ATOM 780 O TRP A 52 14.440 27.714 38.198 1.00 0.00 O ATOM 781 CB TRP A 52 12.662 28.555 35.805 1.00 0.00 C ATOM 782 CG TRP A 52 12.405 28.111 34.400 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.590 27.094 33.999 1.00 0.00 C ATOM 784 CD2 TRP A 52 12.992 28.659 33.204 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.633 27.006 32.635 1.00 0.00 N ATOM 786 CE2 TRP A 52 12.476 27.941 32.118 1.00 0.00 C ATOM 787 CE3 TRP A 52 13.898 29.690 32.948 1.00 0.00 C ATOM 788 CZ2 TRP A 52 12.836 28.225 30.812 1.00 0.00 C ATOM 789 CZ3 TRP A 52 14.264 29.978 31.641 1.00 0.00 C ATOM 790 CH2 TRP A 52 13.736 29.250 30.582 1.00 0.00 C ATOM 0 H TRP A 52 14.534 26.805 35.497 1.00 0.00 H new ATOM 0 HA TRP A 52 14.441 29.758 35.680 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.281 27.804 36.498 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.113 29.476 36.000 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.006 26.462 34.652 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.105 26.332 32.081 1.00 0.00 H new ATOM 0 HE3 TRP A 52 14.313 30.262 33.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.423 27.659 29.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 14.966 30.775 31.445 1.00 0.00 H new ATOM 0 HH2 TRP A 52 14.031 29.486 29.570 1.00 0.00 H new ATOM 801 N THR A 53 14.645 29.954 38.134 1.00 0.00 N ATOM 802 CA THR A 53 14.925 30.082 39.560 1.00 0.00 C ATOM 803 C THR A 53 13.978 31.089 40.200 1.00 0.00 C ATOM 804 O THR A 53 13.442 31.968 39.525 1.00 0.00 O ATOM 805 CB THR A 53 16.370 30.522 39.770 1.00 0.00 C ATOM 806 OG1 THR A 53 16.708 31.537 38.838 1.00 0.00 O ATOM 807 CG2 THR A 53 17.324 29.341 39.625 1.00 0.00 C ATOM 0 H THR A 53 14.636 30.838 37.626 1.00 0.00 H new ATOM 0 HA THR A 53 14.774 29.111 40.033 1.00 0.00 H new ATOM 0 HB THR A 53 16.465 30.917 40.781 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.637 31.816 38.980 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.348 29.680 39.779 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.078 28.581 40.367 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.229 28.917 38.625 1.00 0.00 H new ATOM 815 N PHE A 54 13.778 30.958 41.508 1.00 0.00 N ATOM 816 CA PHE A 54 12.897 31.857 42.244 1.00 0.00 C ATOM 817 C PHE A 54 13.523 32.239 43.579 1.00 0.00 C ATOM 818 O PHE A 54 13.870 31.374 44.383 1.00 0.00 O ATOM 819 CB PHE A 54 11.545 31.189 42.479 1.00 0.00 C ATOM 820 CG PHE A 54 10.508 32.141 43.018 1.00 0.00 C ATOM 821 CD1 PHE A 54 9.747 32.903 42.147 1.00 0.00 C ATOM 822 CD2 PHE A 54 10.315 32.255 44.385 1.00 0.00 C ATOM 823 CE1 PHE A 54 8.794 33.779 42.642 1.00 0.00 C ATOM 824 CE2 PHE A 54 9.363 33.131 44.880 1.00 0.00 C ATOM 825 CZ PHE A 54 8.602 33.892 44.008 1.00 0.00 C ATOM 0 H PHE A 54 14.215 30.236 42.081 1.00 0.00 H new ATOM 0 HA PHE A 54 12.751 32.761 41.653 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.188 30.763 41.542 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.670 30.362 43.178 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.896 32.814 41.081 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.907 31.661 45.065 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.201 34.373 41.962 1.00 0.00 H new ATOM 0 HE2 PHE A 54 9.214 33.221 45.946 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.859 34.574 44.394 1.00 0.00 H new ATOM 835 N ASP A 55 13.662 33.540 43.809 1.00 0.00 N ATOM 836 CA ASP A 55 14.246 34.041 45.048 1.00 0.00 C ATOM 837 C ASP A 55 13.173 34.180 46.120 1.00 0.00 C ATOM 838 O ASP A 55 12.010 34.447 45.816 1.00 0.00 O ATOM 839 CB ASP A 55 14.914 35.390 44.799 1.00 0.00 C ATOM 840 CG ASP A 55 13.876 36.426 44.388 1.00 0.00 C ATOM 841 OD1 ASP A 55 12.920 36.060 43.673 1.00 0.00 O ATOM 842 OD2 ASP A 55 14.021 37.603 44.781 1.00 0.00 O ATOM 0 H ASP A 55 13.378 34.268 43.153 1.00 0.00 H new ATOM 0 HA ASP A 55 14.996 33.330 45.395 1.00 0.00 H new ATOM 0 HB2 ASP A 55 15.430 35.720 45.701 1.00 0.00 H new ATOM 0 HB3 ASP A 55 15.668 35.291 44.018 1.00 0.00 H new ATOM 847 N SER A 56 13.568 33.995 47.375 1.00 0.00 N ATOM 848 CA SER A 56 12.637 34.097 48.495 1.00 0.00 C ATOM 849 C SER A 56 13.385 34.014 49.819 1.00 0.00 C ATOM 850 O SER A 56 14.610 33.889 49.845 1.00 0.00 O ATOM 851 CB SER A 56 11.601 32.979 48.411 1.00 0.00 C ATOM 852 OG SER A 56 10.294 33.518 48.287 1.00 0.00 O ATOM 0 H SER A 56 14.527 33.773 47.643 1.00 0.00 H new ATOM 0 HA SER A 56 12.131 35.061 48.442 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.818 32.338 47.557 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.659 32.354 49.302 1.00 0.00 H new ATOM 0 HG SER A 56 9.681 33.027 48.873 1.00 0.00 H new ATOM 858 N GLU A 57 12.641 34.082 50.918 1.00 0.00 N ATOM 859 CA GLU A 57 13.231 34.013 52.251 1.00 0.00 C ATOM 860 C GLU A 57 12.166 33.650 53.280 1.00 0.00 C ATOM 861 O GLU A 57 11.884 34.418 54.200 1.00 0.00 O ATOM 862 CB GLU A 57 13.874 35.353 52.605 1.00 0.00 C ATOM 863 CG GLU A 57 15.397 35.257 52.585 1.00 0.00 C ATOM 864 CD GLU A 57 16.010 36.638 52.392 1.00 0.00 C ATOM 865 OE1 GLU A 57 15.256 37.587 52.092 1.00 0.00 O ATOM 866 OE2 GLU A 57 17.243 36.769 52.543 1.00 0.00 O ATOM 0 H GLU A 57 11.626 34.185 50.912 1.00 0.00 H new ATOM 0 HA GLU A 57 13.999 33.240 52.259 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.546 36.115 51.898 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.540 35.670 53.593 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.753 34.820 53.518 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.716 34.594 51.781 1.00 0.00 H new ATOM 873 N GLU A 58 11.575 32.471 53.118 1.00 0.00 N ATOM 874 CA GLU A 58 10.539 31.999 54.030 1.00 0.00 C ATOM 875 C GLU A 58 10.808 30.554 54.434 1.00 0.00 C ATOM 876 O GLU A 58 11.502 29.824 53.727 1.00 0.00 O ATOM 877 CB GLU A 58 9.171 32.106 53.362 1.00 0.00 C ATOM 878 CG GLU A 58 9.063 31.162 52.167 1.00 0.00 C ATOM 879 CD GLU A 58 8.020 31.675 51.184 1.00 0.00 C ATOM 880 OE1 GLU A 58 6.832 31.752 51.563 1.00 0.00 O ATOM 881 OE2 GLU A 58 8.392 32.001 50.037 1.00 0.00 O ATOM 0 H GLU A 58 11.796 31.823 52.362 1.00 0.00 H new ATOM 0 HA GLU A 58 10.550 32.621 54.925 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.391 31.871 54.086 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.003 33.132 53.034 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.030 31.079 51.672 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.792 30.163 52.507 1.00 0.00 H new ATOM 888 N PRO A 59 10.258 30.120 55.582 1.00 0.00 N ATOM 889 CA PRO A 59 10.442 28.747 56.078 1.00 0.00 C ATOM 890 C PRO A 59 9.686 27.729 55.233 1.00 0.00 C ATOM 891 O PRO A 59 10.154 26.610 55.026 1.00 0.00 O ATOM 892 CB PRO A 59 9.886 28.793 57.495 1.00 0.00 C ATOM 893 CG PRO A 59 8.912 29.920 57.498 1.00 0.00 C ATOM 894 CD PRO A 59 9.413 30.919 56.487 1.00 0.00 C ATOM 0 HA PRO A 59 11.485 28.435 56.037 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.401 27.853 57.758 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.680 28.957 58.224 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.913 29.571 57.236 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.843 30.371 58.488 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.590 31.391 55.951 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.982 31.717 56.963 1.00 0.00 H new ATOM 902 N LEU A 60 8.515 28.127 54.748 1.00 0.00 N ATOM 903 CA LEU A 60 7.689 27.251 53.924 1.00 0.00 C ATOM 904 C LEU A 60 8.241 27.181 52.506 1.00 0.00 C ATOM 905 O LEU A 60 7.993 28.066 51.688 1.00 0.00 O ATOM 906 CB LEU A 60 6.253 27.766 53.899 1.00 0.00 C ATOM 907 CG LEU A 60 5.740 28.039 55.310 1.00 0.00 C ATOM 908 CD1 LEU A 60 5.116 29.430 55.394 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.732 26.974 55.729 1.00 0.00 C ATOM 0 H LEU A 60 8.116 29.051 54.911 1.00 0.00 H new ATOM 0 HA LEU A 60 7.703 26.249 54.354 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.202 28.680 53.307 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.610 27.034 53.411 1.00 0.00 H new ATOM 0 HG LEU A 60 6.586 28.000 55.996 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.756 29.607 56.408 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.864 30.180 55.139 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.282 29.497 54.696 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.377 27.185 56.738 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.888 26.980 55.039 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.209 25.994 55.710 1.00 0.00 H new ATOM 921 N GLN A 61 8.993 26.122 52.222 1.00 0.00 N ATOM 922 CA GLN A 61 9.584 25.932 50.902 1.00 0.00 C ATOM 923 C GLN A 61 9.689 24.448 50.576 1.00 0.00 C ATOM 924 O GLN A 61 10.738 23.971 50.141 1.00 0.00 O ATOM 925 CB GLN A 61 10.967 26.575 50.853 1.00 0.00 C ATOM 926 CG GLN A 61 11.858 26.061 51.981 1.00 0.00 C ATOM 927 CD GLN A 61 12.606 27.218 52.632 1.00 0.00 C ATOM 928 OE1 GLN A 61 13.134 28.093 51.946 1.00 0.00 O ATOM 929 NE2 GLN A 61 12.651 27.223 53.959 1.00 0.00 N ATOM 0 H GLN A 61 9.208 25.381 52.890 1.00 0.00 H new ATOM 0 HA GLN A 61 8.942 26.408 50.160 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.435 26.363 49.892 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.870 27.658 50.928 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.252 25.545 52.726 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.569 25.334 51.589 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.199 26.477 54.487 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.138 27.973 54.450 1.00 0.00 H new ATOM 938 N GLY A 62 8.597 23.721 50.788 1.00 0.00 N ATOM 939 CA GLY A 62 8.565 22.287 50.517 1.00 0.00 C ATOM 940 C GLY A 62 8.409 22.024 49.022 1.00 0.00 C ATOM 941 O GLY A 62 9.373 22.125 48.264 1.00 0.00 O ATOM 0 H GLY A 62 7.721 24.101 51.147 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.482 21.823 50.879 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.739 21.828 51.060 1.00 0.00 H new ATOM 945 N PRO A 63 7.187 21.681 48.576 1.00 0.00 N ATOM 946 CA PRO A 63 6.910 21.403 47.162 1.00 0.00 C ATOM 947 C PRO A 63 6.718 22.681 46.353 1.00 0.00 C ATOM 948 O PRO A 63 6.753 23.783 46.900 1.00 0.00 O ATOM 949 CB PRO A 63 5.626 20.587 47.195 1.00 0.00 C ATOM 950 CG PRO A 63 4.938 20.962 48.471 1.00 0.00 C ATOM 951 CD PRO A 63 5.980 21.535 49.407 1.00 0.00 C ATOM 0 HA PRO A 63 7.738 20.882 46.680 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.999 20.810 46.332 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.841 19.519 47.166 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.152 21.693 48.281 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.461 20.090 48.918 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.661 22.494 49.815 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.160 20.872 50.254 1.00 0.00 H new ATOM 959 N PHE A 64 6.516 22.526 45.048 1.00 0.00 N ATOM 960 CA PHE A 64 6.319 23.670 44.163 1.00 0.00 C ATOM 961 C PHE A 64 5.500 23.272 42.942 1.00 0.00 C ATOM 962 O PHE A 64 6.018 22.651 42.014 1.00 0.00 O ATOM 963 CB PHE A 64 7.670 24.220 43.712 1.00 0.00 C ATOM 964 CG PHE A 64 8.617 24.479 44.856 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.504 25.642 45.599 1.00 0.00 C ATOM 966 CD2 PHE A 64 9.604 23.556 45.160 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.376 25.881 46.647 1.00 0.00 C ATOM 968 CE2 PHE A 64 10.477 23.796 46.208 1.00 0.00 C ATOM 969 CZ PHE A 64 10.363 24.959 46.952 1.00 0.00 C ATOM 0 H PHE A 64 6.484 21.620 44.580 1.00 0.00 H new ATOM 0 HA PHE A 64 5.778 24.439 44.714 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.130 23.514 43.021 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.512 25.148 43.162 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.736 26.363 45.361 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.693 22.649 44.580 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.286 26.787 47.227 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.247 23.076 46.445 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.044 25.146 47.769 1.00 0.00 H new ATOM 979 N ASN A 65 4.223 23.641 42.939 1.00 0.00 N ATOM 980 CA ASN A 65 3.343 23.329 41.818 1.00 0.00 C ATOM 981 C ASN A 65 3.689 24.221 40.633 1.00 0.00 C ATOM 982 O ASN A 65 3.792 25.439 40.775 1.00 0.00 O ATOM 983 CB ASN A 65 1.885 23.534 42.218 1.00 0.00 C ATOM 984 CG ASN A 65 1.620 22.918 43.585 1.00 0.00 C ATOM 985 OD1 ASN A 65 2.372 22.059 44.047 1.00 0.00 O ATOM 986 ND2 ASN A 65 0.549 23.357 44.235 1.00 0.00 N ATOM 0 H ASN A 65 3.775 24.155 43.698 1.00 0.00 H new ATOM 0 HA ASN A 65 3.483 22.285 41.536 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.653 24.599 42.240 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.230 23.081 41.474 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.321 22.981 45.156 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.046 24.070 43.814 1.00 0.00 H new ATOM 993 N PHE A 66 3.880 23.612 39.468 1.00 0.00 N ATOM 994 CA PHE A 66 4.230 24.363 38.268 1.00 0.00 C ATOM 995 C PHE A 66 3.129 24.265 37.219 1.00 0.00 C ATOM 996 O PHE A 66 2.184 23.489 37.359 1.00 0.00 O ATOM 997 CB PHE A 66 5.541 23.838 37.693 1.00 0.00 C ATOM 998 CG PHE A 66 6.753 24.380 38.408 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.282 25.608 38.044 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.338 23.650 39.430 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.395 26.105 38.701 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.451 24.148 40.087 1.00 0.00 C ATOM 1003 CZ PHE A 66 8.980 25.375 39.723 1.00 0.00 C ATOM 0 H PHE A 66 3.799 22.605 39.329 1.00 0.00 H new ATOM 0 HA PHE A 66 4.347 25.411 38.543 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.548 22.750 37.751 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.600 24.101 36.637 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.826 26.178 37.248 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.926 22.693 39.714 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.807 27.062 38.417 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.907 23.579 40.884 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.848 25.763 40.235 1.00 0.00 H new ATOM 1013 N ARG A 67 3.266 25.066 36.167 1.00 0.00 N ATOM 1014 CA ARG A 67 2.298 25.094 35.076 1.00 0.00 C ATOM 1015 C ARG A 67 2.861 25.900 33.913 1.00 0.00 C ATOM 1016 O ARG A 67 2.583 27.092 33.781 1.00 0.00 O ATOM 1017 CB ARG A 67 0.993 25.719 35.557 1.00 0.00 C ATOM 1018 CG ARG A 67 1.252 27.016 36.318 1.00 0.00 C ATOM 1019 CD ARG A 67 0.578 28.202 35.634 1.00 0.00 C ATOM 1020 NE ARG A 67 -0.847 28.224 35.943 1.00 0.00 N ATOM 1021 CZ ARG A 67 -1.697 28.985 35.263 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -1.292 30.139 34.750 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -2.953 28.593 35.093 1.00 0.00 N ATOM 0 H ARG A 67 4.047 25.711 36.047 1.00 0.00 H new ATOM 0 HA ARG A 67 2.101 24.075 34.744 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.345 25.918 34.703 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.465 25.015 36.201 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.880 26.922 37.338 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.325 27.193 36.385 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.042 29.132 35.963 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.722 28.138 34.555 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.200 27.640 36.701 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.327 30.443 34.877 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.946 30.722 34.228 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.268 27.705 35.485 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.604 29.179 34.570 1.00 0.00 H new ATOM 1037 N PHE A 68 3.668 25.250 33.080 1.00 0.00 N ATOM 1038 CA PHE A 68 4.286 25.916 31.937 1.00 0.00 C ATOM 1039 C PHE A 68 3.263 26.226 30.859 1.00 0.00 C ATOM 1040 O PHE A 68 2.090 25.868 30.967 1.00 0.00 O ATOM 1041 CB PHE A 68 5.393 25.047 31.349 1.00 0.00 C ATOM 1042 CG PHE A 68 4.934 23.647 31.022 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.036 23.433 29.989 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.412 22.574 31.756 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.616 22.147 29.692 1.00 0.00 C ATOM 1046 CE2 PHE A 68 4.992 21.288 31.458 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.095 21.074 30.426 1.00 0.00 C ATOM 0 H PHE A 68 3.910 24.264 33.174 1.00 0.00 H new ATOM 0 HA PHE A 68 4.710 26.854 32.294 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.775 25.519 30.444 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.221 24.996 32.056 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.663 24.269 29.415 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.113 22.740 32.561 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.915 21.981 28.888 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.365 20.452 32.031 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.769 20.071 30.193 1.00 0.00 H new ATOM 1057 N LEU A 69 3.732 26.894 29.814 1.00 0.00 N ATOM 1058 CA LEU A 69 2.889 27.267 28.684 1.00 0.00 C ATOM 1059 C LEU A 69 3.657 27.041 27.390 1.00 0.00 C ATOM 1060 O LEU A 69 4.066 27.995 26.731 1.00 0.00 O ATOM 1061 CB LEU A 69 2.470 28.735 28.795 1.00 0.00 C ATOM 1062 CG LEU A 69 2.179 29.128 30.243 1.00 0.00 C ATOM 1063 CD1 LEU A 69 1.906 30.626 30.348 1.00 0.00 C ATOM 1064 CD2 LEU A 69 1.000 28.328 30.790 1.00 0.00 C ATOM 0 H LEU A 69 4.703 27.192 29.725 1.00 0.00 H new ATOM 0 HA LEU A 69 1.990 26.651 28.687 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.260 29.371 28.396 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.583 28.908 28.185 1.00 0.00 H new ATOM 0 HG LEU A 69 3.058 28.897 30.844 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.701 30.887 31.386 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.778 31.180 30.000 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.044 30.883 29.732 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.808 28.622 31.822 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.115 28.526 30.186 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.234 27.264 30.753 1.00 0.00 H new ATOM 1076 N THR A 70 3.860 25.762 27.053 1.00 0.00 N ATOM 1077 CA THR A 70 4.600 25.346 25.850 1.00 0.00 C ATOM 1078 C THR A 70 4.488 26.358 24.713 1.00 0.00 C ATOM 1079 O THR A 70 3.409 26.879 24.431 1.00 0.00 O ATOM 1080 CB THR A 70 4.085 23.990 25.377 1.00 0.00 C ATOM 1081 OG1 THR A 70 2.690 24.061 25.132 1.00 0.00 O ATOM 1082 CG2 THR A 70 4.381 22.908 26.412 1.00 0.00 C ATOM 0 H THR A 70 3.514 24.980 27.609 1.00 0.00 H new ATOM 0 HA THR A 70 5.653 25.281 26.124 1.00 0.00 H new ATOM 0 HB THR A 70 4.598 23.729 24.452 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.468 24.939 24.759 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.005 21.950 26.054 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.457 22.840 26.569 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.892 23.161 27.353 1.00 0.00 H new ATOM 1090 N GLU A 71 5.619 26.627 24.067 1.00 0.00 N ATOM 1091 CA GLU A 71 5.667 27.573 22.958 1.00 0.00 C ATOM 1092 C GLU A 71 4.609 27.224 21.919 1.00 0.00 C ATOM 1093 O GLU A 71 3.974 28.109 21.345 1.00 0.00 O ATOM 1094 CB GLU A 71 7.052 27.550 22.313 1.00 0.00 C ATOM 1095 CG GLU A 71 8.154 27.802 23.340 1.00 0.00 C ATOM 1096 CD GLU A 71 9.432 28.244 22.639 1.00 0.00 C ATOM 1097 OE1 GLU A 71 9.416 29.311 21.989 1.00 0.00 O ATOM 1098 OE2 GLU A 71 10.446 27.523 22.739 1.00 0.00 O ATOM 0 H GLU A 71 6.518 26.201 24.294 1.00 0.00 H new ATOM 0 HA GLU A 71 5.467 28.573 23.343 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.215 26.585 21.833 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.103 28.307 21.531 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.835 28.567 24.047 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.340 26.895 23.915 1.00 0.00 H new ATOM 1105 N LYS A 72 4.425 25.930 21.679 1.00 0.00 N ATOM 1106 CA LYS A 72 3.444 25.463 20.705 1.00 0.00 C ATOM 1107 C LYS A 72 2.694 24.250 21.241 1.00 0.00 C ATOM 1108 O LYS A 72 2.798 23.152 20.694 1.00 0.00 O ATOM 1109 CB LYS A 72 4.141 25.108 19.396 1.00 0.00 C ATOM 1110 CG LYS A 72 3.324 25.566 18.192 1.00 0.00 C ATOM 1111 CD LYS A 72 2.155 24.622 17.924 1.00 0.00 C ATOM 1112 CE LYS A 72 2.384 23.808 16.653 1.00 0.00 C ATOM 1113 NZ LYS A 72 1.114 23.614 15.898 1.00 0.00 N ATOM 0 H LYS A 72 4.943 25.185 22.146 1.00 0.00 H new ATOM 0 HA LYS A 72 2.726 26.262 20.524 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.126 25.573 19.368 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.296 24.030 19.345 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.948 26.574 18.367 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.965 25.614 17.312 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.026 23.949 18.772 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.234 25.197 17.830 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.112 24.315 16.020 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.808 22.838 16.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.302 23.057 15.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.429 23.109 16.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.724 24.540 15.631 1.00 0.00 H new ATOM 1127 N GLY A 73 1.937 24.454 22.314 1.00 0.00 N ATOM 1128 CA GLY A 73 1.167 23.375 22.925 1.00 0.00 C ATOM 1129 C GLY A 73 0.010 23.935 23.743 1.00 0.00 C ATOM 1130 O GLY A 73 -0.996 24.379 23.190 1.00 0.00 O ATOM 0 H GLY A 73 1.840 25.357 22.779 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.783 22.711 22.150 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.815 22.776 23.565 1.00 0.00 H new ATOM 1134 N MET A 74 0.160 23.911 25.063 1.00 0.00 N ATOM 1135 CA MET A 74 -0.872 24.417 25.962 1.00 0.00 C ATOM 1136 C MET A 74 -0.357 24.447 27.395 1.00 0.00 C ATOM 1137 O MET A 74 0.792 24.093 27.660 1.00 0.00 O ATOM 1138 CB MET A 74 -2.119 23.540 25.874 1.00 0.00 C ATOM 1139 CG MET A 74 -1.799 22.087 26.213 1.00 0.00 C ATOM 1140 SD MET A 74 -2.934 21.400 27.429 1.00 0.00 S ATOM 1141 CE MET A 74 -3.133 19.726 26.800 1.00 0.00 C ATOM 0 H MET A 74 0.987 23.546 25.535 1.00 0.00 H new ATOM 0 HA MET A 74 -1.130 25.432 25.661 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.880 23.916 26.558 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.537 23.598 24.869 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.839 21.487 25.304 1.00 0.00 H new ATOM 0 HG3 MET A 74 -0.780 22.022 26.594 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.811 19.172 27.449 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.545 19.763 25.791 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.164 19.228 26.778 1.00 0.00 H new ATOM 1151 N LYS A 75 -1.214 24.872 28.318 1.00 0.00 N ATOM 1152 CA LYS A 75 -0.846 24.950 29.728 1.00 0.00 C ATOM 1153 C LYS A 75 -1.044 23.600 30.404 1.00 0.00 C ATOM 1154 O LYS A 75 -1.407 22.617 29.758 1.00 0.00 O ATOM 1155 CB LYS A 75 -1.691 26.010 30.430 1.00 0.00 C ATOM 1156 CG LYS A 75 -1.704 27.319 29.645 1.00 0.00 C ATOM 1157 CD LYS A 75 -3.000 27.477 28.855 1.00 0.00 C ATOM 1158 CE LYS A 75 -3.698 28.791 29.194 1.00 0.00 C ATOM 1159 NZ LYS A 75 -3.620 29.755 28.059 1.00 0.00 N ATOM 0 H LYS A 75 -2.169 25.168 28.115 1.00 0.00 H new ATOM 0 HA LYS A 75 0.206 25.226 29.798 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.711 25.645 30.549 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.297 26.188 31.431 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.589 28.158 30.331 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.854 27.345 28.963 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.784 27.442 27.787 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.666 26.642 29.073 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.742 28.598 29.439 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.239 29.231 30.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.103 30.638 28.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.623 29.957 27.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.079 29.343 27.222 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.803 23.560 31.710 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.953 22.333 32.483 1.00 0.00 C ATOM 1175 C ASN A 76 -0.641 22.597 33.949 1.00 0.00 C ATOM 1176 O ASN A 76 0.033 23.572 34.283 1.00 0.00 O ATOM 1177 CB ASN A 76 -0.022 21.254 31.937 1.00 0.00 C ATOM 1178 CG ASN A 76 -0.740 19.912 31.892 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -0.667 19.125 32.836 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -1.434 19.648 30.790 1.00 0.00 N ATOM 0 H ASN A 76 -0.502 24.367 32.257 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.983 21.987 32.398 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.316 21.527 30.937 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.866 21.178 32.564 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.934 18.763 30.702 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.467 20.330 30.032 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.136 21.730 34.825 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.910 21.879 36.257 1.00 0.00 C ATOM 1189 C VAL A 77 -0.280 20.617 36.832 1.00 0.00 C ATOM 1190 O VAL A 77 -0.758 19.507 36.598 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.232 22.182 36.958 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -2.041 22.250 38.471 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.817 23.491 36.436 1.00 0.00 C ATOM 0 H VAL A 77 -1.696 20.917 34.568 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.222 22.708 36.422 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.930 21.374 36.740 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.996 22.467 38.949 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.663 21.294 38.833 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.327 23.038 38.713 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.760 23.696 36.943 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.117 24.304 36.628 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.993 23.409 35.363 1.00 0.00 H new ATOM 1203 N PHE A 78 0.797 20.799 37.589 1.00 0.00 N ATOM 1204 CA PHE A 78 1.503 19.683 38.205 1.00 0.00 C ATOM 1205 C PHE A 78 1.540 19.856 39.717 1.00 0.00 C ATOM 1206 O PHE A 78 1.893 20.922 40.221 1.00 0.00 O ATOM 1207 CB PHE A 78 2.922 19.602 37.653 1.00 0.00 C ATOM 1208 CG PHE A 78 2.963 19.688 36.149 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.728 18.558 35.383 1.00 0.00 C ATOM 1210 CD2 PHE A 78 3.231 20.898 35.531 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.762 18.639 34.001 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.265 20.979 34.149 1.00 0.00 C ATOM 1213 CZ PHE A 78 3.031 19.849 33.384 1.00 0.00 C ATOM 0 H PHE A 78 1.201 21.714 37.791 1.00 0.00 H new ATOM 0 HA PHE A 78 0.976 18.758 37.972 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.519 20.410 38.076 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.380 18.666 37.973 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.518 17.614 35.864 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.414 21.780 36.128 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.579 17.758 33.404 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.474 21.923 33.668 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.058 19.911 32.306 1.00 0.00 H new ATOM 1223 N ASP A 79 1.167 18.805 40.436 1.00 0.00 N ATOM 1224 CA ASP A 79 1.151 18.845 41.894 1.00 0.00 C ATOM 1225 C ASP A 79 2.104 17.806 42.470 1.00 0.00 C ATOM 1226 O ASP A 79 2.413 16.805 41.825 1.00 0.00 O ATOM 1227 CB ASP A 79 -0.264 18.590 42.405 1.00 0.00 C ATOM 1228 CG ASP A 79 -0.997 19.910 42.614 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -0.429 20.968 42.266 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -2.136 19.885 43.124 1.00 0.00 O ATOM 0 H ASP A 79 0.872 17.915 40.035 1.00 0.00 H new ATOM 0 HA ASP A 79 1.479 19.833 42.217 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.810 17.972 41.692 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.225 18.035 43.343 1.00 0.00 H new ATOM 1235 N ASP A 80 2.564 18.054 43.692 1.00 0.00 N ATOM 1236 CA ASP A 80 3.481 17.144 44.368 1.00 0.00 C ATOM 1237 C ASP A 80 4.750 16.947 43.548 1.00 0.00 C ATOM 1238 O ASP A 80 5.442 15.939 43.695 1.00 0.00 O ATOM 1239 CB ASP A 80 2.797 15.801 44.603 1.00 0.00 C ATOM 1240 CG ASP A 80 1.710 15.943 45.660 1.00 0.00 C ATOM 1241 OD1 ASP A 80 2.023 16.398 46.780 1.00 0.00 O ATOM 1242 OD2 ASP A 80 0.545 15.599 45.367 1.00 0.00 O ATOM 0 H ASP A 80 2.316 18.880 44.236 1.00 0.00 H new ATOM 0 HA ASP A 80 3.758 17.581 45.328 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.363 15.437 43.671 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.531 15.062 44.923 1.00 0.00 H new ATOM 1247 N VAL A 81 5.060 17.915 42.689 1.00 0.00 N ATOM 1248 CA VAL A 81 6.256 17.839 41.857 1.00 0.00 C ATOM 1249 C VAL A 81 7.484 17.639 42.738 1.00 0.00 C ATOM 1250 O VAL A 81 7.996 16.527 42.860 1.00 0.00 O ATOM 1251 CB VAL A 81 6.396 19.115 41.021 1.00 0.00 C ATOM 1252 CG1 VAL A 81 7.729 19.141 40.276 1.00 0.00 C ATOM 1253 CG2 VAL A 81 5.240 19.234 40.032 1.00 0.00 C ATOM 0 H VAL A 81 4.502 18.758 42.552 1.00 0.00 H new ATOM 0 HA VAL A 81 6.169 16.990 41.179 1.00 0.00 H new ATOM 0 HB VAL A 81 6.368 19.966 41.702 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.801 20.058 39.691 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.548 19.104 40.994 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.791 18.280 39.610 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.355 20.146 39.446 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.241 18.372 39.365 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.297 19.269 40.577 1.00 0.00 H new ATOM 1263 N VAL A 82 7.947 18.721 43.354 1.00 0.00 N ATOM 1264 CA VAL A 82 9.113 18.664 44.230 1.00 0.00 C ATOM 1265 C VAL A 82 8.705 18.172 45.616 1.00 0.00 C ATOM 1266 O VAL A 82 7.709 18.633 46.174 1.00 0.00 O ATOM 1267 CB VAL A 82 9.750 20.048 44.336 1.00 0.00 C ATOM 1268 CG1 VAL A 82 10.963 20.018 45.264 1.00 0.00 C ATOM 1269 CG2 VAL A 82 10.148 20.560 42.955 1.00 0.00 C ATOM 0 H VAL A 82 7.533 19.649 43.263 1.00 0.00 H new ATOM 0 HA VAL A 82 9.838 17.968 43.808 1.00 0.00 H new ATOM 0 HB VAL A 82 9.013 20.730 44.760 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.400 21.015 45.324 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.652 19.698 46.258 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.703 19.320 44.873 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.600 21.547 43.049 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.866 19.874 42.505 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.263 20.625 42.322 1.00 0.00 H new ATOM 1279 N PRO A 83 9.471 17.232 46.194 1.00 0.00 N ATOM 1280 CA PRO A 83 9.178 16.686 47.529 1.00 0.00 C ATOM 1281 C PRO A 83 9.464 17.697 48.633 1.00 0.00 C ATOM 1282 O PRO A 83 9.841 18.837 48.360 1.00 0.00 O ATOM 1283 CB PRO A 83 10.104 15.483 47.646 1.00 0.00 C ATOM 1284 CG PRO A 83 11.236 15.767 46.716 1.00 0.00 C ATOM 1285 CD PRO A 83 10.681 16.627 45.608 1.00 0.00 C ATOM 0 HA PRO A 83 8.125 16.427 47.641 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.458 15.357 48.669 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.590 14.562 47.370 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.045 16.280 47.236 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.651 14.841 46.317 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.397 17.388 45.298 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.443 16.034 44.725 1.00 0.00 H new ATOM 1293 N GLU A 84 9.286 17.274 49.880 1.00 0.00 N ATOM 1294 CA GLU A 84 9.528 18.145 51.025 1.00 0.00 C ATOM 1295 C GLU A 84 10.995 18.549 51.077 1.00 0.00 C ATOM 1296 O GLU A 84 11.332 19.724 50.937 1.00 0.00 O ATOM 1297 CB GLU A 84 9.138 17.431 52.316 1.00 0.00 C ATOM 1298 CG GLU A 84 7.639 17.539 52.575 1.00 0.00 C ATOM 1299 CD GLU A 84 7.381 18.249 53.897 1.00 0.00 C ATOM 1300 OE1 GLU A 84 8.156 18.030 54.852 1.00 0.00 O ATOM 1301 OE2 GLU A 84 6.404 19.024 53.976 1.00 0.00 O ATOM 0 H GLU A 84 8.975 16.334 50.124 1.00 0.00 H new ATOM 0 HA GLU A 84 8.919 19.043 50.918 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.424 16.381 52.255 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.686 17.863 53.153 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.161 18.085 51.762 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.194 16.544 52.596 1.00 0.00 H new ATOM 1308 N LYS A 85 11.865 17.565 51.277 1.00 0.00 N ATOM 1309 CA LYS A 85 13.301 17.812 51.344 1.00 0.00 C ATOM 1310 C LYS A 85 13.967 17.404 50.036 1.00 0.00 C ATOM 1311 O LYS A 85 14.601 16.352 49.950 1.00 0.00 O ATOM 1312 CB LYS A 85 13.908 17.037 52.510 1.00 0.00 C ATOM 1313 CG LYS A 85 14.748 17.948 53.400 1.00 0.00 C ATOM 1314 CD LYS A 85 15.978 17.218 53.932 1.00 0.00 C ATOM 1315 CE LYS A 85 17.178 18.154 54.030 1.00 0.00 C ATOM 1316 NZ LYS A 85 18.444 17.393 54.230 1.00 0.00 N ATOM 0 H LYS A 85 11.600 16.587 51.396 1.00 0.00 H new ATOM 0 HA LYS A 85 13.470 18.877 51.502 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.113 16.580 53.100 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.528 16.226 52.128 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.059 18.826 52.835 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.144 18.304 54.234 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.759 16.800 54.915 1.00 0.00 H new ATOM 0 HD3 LYS A 85 16.219 16.381 53.276 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.250 18.752 53.122 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.034 18.848 54.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 19.242 18.057 54.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.382 16.842 55.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 18.592 16.749 53.427 1.00 0.00 H new ATOM 1330 N TYR A 86 13.817 18.243 49.017 1.00 0.00 N ATOM 1331 CA TYR A 86 14.400 17.974 47.707 1.00 0.00 C ATOM 1332 C TYR A 86 15.898 17.726 47.832 1.00 0.00 C ATOM 1333 O TYR A 86 16.518 18.097 48.829 1.00 0.00 O ATOM 1334 CB TYR A 86 14.145 19.154 46.774 1.00 0.00 C ATOM 1335 CG TYR A 86 14.799 20.427 47.251 1.00 0.00 C ATOM 1336 CD1 TYR A 86 14.132 21.260 48.133 1.00 0.00 C ATOM 1337 CD2 TYR A 86 16.068 20.763 46.810 1.00 0.00 C ATOM 1338 CE1 TYR A 86 14.733 22.428 48.573 1.00 0.00 C ATOM 1339 CE2 TYR A 86 16.668 21.931 47.251 1.00 0.00 C ATOM 1340 CZ TYR A 86 15.997 22.758 48.130 1.00 0.00 C ATOM 1341 OH TYR A 86 16.594 23.918 48.567 1.00 0.00 O ATOM 0 H TYR A 86 13.295 19.118 49.073 1.00 0.00 H new ATOM 0 HA TYR A 86 13.932 17.081 47.293 1.00 0.00 H new ATOM 0 HB2 TYR A 86 14.516 18.911 45.778 1.00 0.00 H new ATOM 0 HB3 TYR A 86 13.071 19.314 46.683 1.00 0.00 H new ATOM 0 HD1 TYR A 86 13.142 20.999 48.478 1.00 0.00 H new ATOM 0 HD2 TYR A 86 16.590 20.114 46.122 1.00 0.00 H new ATOM 0 HE1 TYR A 86 14.213 23.078 49.261 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.658 22.194 46.908 1.00 0.00 H new ATOM 0 HH TYR A 86 17.482 24.002 48.162 1.00 0.00 H new ATOM 1351 N THR A 87 16.475 17.097 46.814 1.00 0.00 N ATOM 1352 CA THR A 87 17.903 16.799 46.806 1.00 0.00 C ATOM 1353 C THR A 87 18.483 17.026 45.416 1.00 0.00 C ATOM 1354 O THR A 87 18.170 16.296 44.476 1.00 0.00 O ATOM 1355 CB THR A 87 18.134 15.354 47.237 1.00 0.00 C ATOM 1356 OG1 THR A 87 17.084 14.928 48.091 1.00 0.00 O ATOM 1357 CG2 THR A 87 19.477 15.208 47.946 1.00 0.00 C ATOM 0 H THR A 87 15.975 16.783 45.982 1.00 0.00 H new ATOM 0 HA THR A 87 18.405 17.466 47.507 1.00 0.00 H new ATOM 0 HB THR A 87 18.147 14.727 46.345 1.00 0.00 H new ATOM 0 HG1 THR A 87 17.239 13.999 48.362 1.00 0.00 H new ATOM 0 HG21 THR A 87 19.620 14.169 48.244 1.00 0.00 H new ATOM 0 HG22 THR A 87 20.279 15.505 47.271 1.00 0.00 H new ATOM 0 HG23 THR A 87 19.493 15.845 48.830 1.00 0.00 H new ATOM 1365 N ILE A 88 19.329 18.045 45.292 1.00 0.00 N ATOM 1366 CA ILE A 88 19.955 18.373 44.014 1.00 0.00 C ATOM 1367 C ILE A 88 20.587 17.131 43.396 1.00 0.00 C ATOM 1368 O ILE A 88 21.684 16.724 43.779 1.00 0.00 O ATOM 1369 CB ILE A 88 21.015 19.451 44.217 1.00 0.00 C ATOM 1370 CG1 ILE A 88 20.387 20.708 44.817 1.00 0.00 C ATOM 1371 CG2 ILE A 88 21.710 19.782 42.900 1.00 0.00 C ATOM 1372 CD1 ILE A 88 20.923 20.980 46.219 1.00 0.00 C ATOM 0 H ILE A 88 19.597 18.658 46.062 1.00 0.00 H new ATOM 0 HA ILE A 88 19.189 18.747 43.335 1.00 0.00 H new ATOM 0 HB ILE A 88 21.763 19.068 44.911 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.594 21.563 44.174 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.304 20.593 44.855 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.462 20.553 43.069 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.191 18.886 42.507 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.975 20.144 42.181 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.457 21.881 46.618 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.693 20.134 46.867 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.003 21.120 46.175 1.00 0.00 H new ATOM 1384 N GLY A 89 19.887 16.533 42.438 1.00 0.00 N ATOM 1385 CA GLY A 89 20.376 15.336 41.764 1.00 0.00 C ATOM 1386 C GLY A 89 19.276 14.287 41.666 1.00 0.00 C ATOM 1387 O GLY A 89 19.500 13.111 41.949 1.00 0.00 O ATOM 0 H GLY A 89 18.978 16.858 42.110 1.00 0.00 H new ATOM 0 HA2 GLY A 89 20.730 15.593 40.766 1.00 0.00 H new ATOM 0 HA3 GLY A 89 21.227 14.928 42.309 1.00 0.00 H new ATOM 1391 N ALA A 90 18.086 14.721 41.263 1.00 0.00 N ATOM 1392 CA ALA A 90 16.947 13.820 41.126 1.00 0.00 C ATOM 1393 C ALA A 90 15.770 14.546 40.488 1.00 0.00 C ATOM 1394 O ALA A 90 15.643 15.765 40.605 1.00 0.00 O ATOM 1395 CB ALA A 90 16.545 13.279 42.495 1.00 0.00 C ATOM 0 H ALA A 90 17.885 15.692 41.025 1.00 0.00 H new ATOM 0 HA ALA A 90 17.234 12.988 40.483 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.694 12.607 42.385 1.00 0.00 H new ATOM 0 HB2 ALA A 90 17.383 12.735 42.932 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.271 14.108 43.148 1.00 0.00 H new ATOM 1401 N THR A 91 14.911 13.791 39.811 1.00 0.00 N ATOM 1402 CA THR A 91 13.743 14.365 39.152 1.00 0.00 C ATOM 1403 C THR A 91 12.485 14.095 39.966 1.00 0.00 C ATOM 1404 O THR A 91 12.252 12.973 40.415 1.00 0.00 O ATOM 1405 CB THR A 91 13.593 13.775 37.753 1.00 0.00 C ATOM 1406 OG1 THR A 91 14.797 13.947 37.023 1.00 0.00 O ATOM 1407 CG2 THR A 91 12.432 14.431 37.012 1.00 0.00 C ATOM 0 H THR A 91 15.001 12.781 39.704 1.00 0.00 H new ATOM 0 HA THR A 91 13.883 15.443 39.074 1.00 0.00 H new ATOM 0 HB THR A 91 13.382 12.710 37.848 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.117 14.867 37.132 1.00 0.00 H new ATOM 0 HG21 THR A 91 12.343 13.995 36.017 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.507 14.265 37.565 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.615 15.502 36.924 1.00 0.00 H new ATOM 1415 N TYR A 92 11.674 15.132 40.150 1.00 0.00 N ATOM 1416 CA TYR A 92 10.433 15.011 40.909 1.00 0.00 C ATOM 1417 C TYR A 92 9.274 15.617 40.128 1.00 0.00 C ATOM 1418 O TYR A 92 9.199 16.833 39.953 1.00 0.00 O ATOM 1419 CB TYR A 92 10.574 15.714 42.256 1.00 0.00 C ATOM 1420 CG TYR A 92 11.925 15.505 42.893 1.00 0.00 C ATOM 1421 CD1 TYR A 92 12.177 14.357 43.624 1.00 0.00 C ATOM 1422 CD2 TYR A 92 12.914 16.463 42.750 1.00 0.00 C ATOM 1423 CE1 TYR A 92 13.417 14.167 44.211 1.00 0.00 C ATOM 1424 CE2 TYR A 92 14.153 16.272 43.338 1.00 0.00 C ATOM 1425 CZ TYR A 92 14.398 15.125 44.065 1.00 0.00 C ATOM 1426 OH TYR A 92 15.630 14.938 44.650 1.00 0.00 O ATOM 0 H TYR A 92 11.854 16.067 39.784 1.00 0.00 H new ATOM 0 HA TYR A 92 10.229 13.954 41.077 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.404 16.782 42.121 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.800 15.350 42.932 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.406 13.609 43.737 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.719 17.359 42.180 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.615 13.271 44.781 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.925 17.019 43.228 1.00 0.00 H new ATOM 0 HH TYR A 92 16.240 15.648 44.361 1.00 0.00 H new ATOM 1436 N ALA A 93 8.370 14.761 39.660 1.00 0.00 N ATOM 1437 CA ALA A 93 7.211 15.211 38.895 1.00 0.00 C ATOM 1438 C ALA A 93 6.359 14.018 38.474 1.00 0.00 C ATOM 1439 O ALA A 93 6.709 12.869 38.744 1.00 0.00 O ATOM 1440 CB ALA A 93 7.669 15.985 37.662 1.00 0.00 C ATOM 0 H ALA A 93 8.418 13.751 39.797 1.00 0.00 H new ATOM 0 HA ALA A 93 6.609 15.867 39.524 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.798 16.317 37.097 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.252 16.852 37.972 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.284 15.340 37.035 1.00 0.00 H new ATOM 1446 N PRO A 94 5.221 14.276 37.805 1.00 0.00 N ATOM 1447 CA PRO A 94 4.314 13.216 37.348 1.00 0.00 C ATOM 1448 C PRO A 94 4.813 12.545 36.073 1.00 0.00 C ATOM 1449 O PRO A 94 4.370 12.946 34.976 1.00 0.00 O ATOM 1450 CB PRO A 94 2.999 13.941 37.100 1.00 0.00 C ATOM 1451 CG PRO A 94 3.366 15.366 36.828 1.00 0.00 C ATOM 1452 CD PRO A 94 4.726 15.614 37.443 1.00 0.00 C ATOM 0 HA PRO A 94 4.228 12.411 38.078 1.00 0.00 H new ATOM 0 HB2 PRO A 94 2.466 13.506 36.255 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.341 13.865 37.965 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.390 15.557 35.755 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.624 16.041 37.255 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.396 16.107 36.738 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.653 16.260 38.318 1.00 0.00 H new