USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 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 55 THR OG1 : rot -130:sc= 1.32 USER MOD Set 1.2: A 57 SER OG : rot -44:sc= 1.15 USER MOD Set 2.1: A 22 THR OG1 : rot -74:sc= 0.305 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.152 X(o=0.46,f=0.8) USER MOD Set 3.1: A 7 THR OG1 : rot -55:sc= 1.34 USER MOD Set 3.2: A 9 THR OG1 : rot -45:sc= 0.0188 USER MOD Single : A 1 MET CE :methyl 174:sc=-0.00535 (180deg=-0.0675) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.0297 (180deg=-0.19) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0.995 (180deg=0.957) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.86! C(o=-1.9!,f=-4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= -1.78! X(o=-1.8!,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.0066) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00793 K(o=-0.0079,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0199 (180deg=-0.249) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 21:sc= 0.427! USER MOD Single : A 68 HIS : no HD1:sc=-0.00454 X(o=-0.0045,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.997 24.670 2.711 1.00 49.53 N ATOM 2 CA MET A 1 25.889 25.601 2.990 1.00 50.07 C ATOM 3 C MET A 1 26.526 26.740 3.822 1.00 50.51 C ATOM 4 O MET A 1 27.255 26.447 4.769 1.00 49.49 O ATOM 5 CB MET A 1 24.769 24.908 3.763 1.00 49.82 C ATOM 6 CG MET A 1 24.216 23.660 3.088 1.00 49.86 C ATOM 7 SD MET A 1 23.142 22.699 4.173 1.00 49.91 S ATOM 8 CE MET A 1 21.718 23.779 4.280 1.00 49.78 C ATOM 0 H1 MET A 1 26.718 24.015 1.953 1.00 49.53 H new ATOM 0 H2 MET A 1 27.836 25.208 2.413 1.00 49.53 H new ATOM 0 H3 MET A 1 27.220 24.129 3.571 1.00 49.53 H new ATOM 0 HA MET A 1 25.429 25.975 2.075 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.140 24.637 4.751 1.00 49.82 H new ATOM 0 HB3 MET A 1 23.954 25.617 3.912 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.659 23.950 2.197 1.00 49.86 H new ATOM 0 HG3 MET A 1 25.044 23.034 2.756 1.00 49.86 H new ATOM 0 HE1 MET A 1 20.922 23.278 4.830 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.995 24.697 4.799 1.00 49.78 H new ATOM 0 HE3 MET A 1 21.369 24.021 3.276 1.00 49.78 H new ATOM 18 N GLN A 2 26.208 27.935 3.421 1.00 49.53 N ATOM 19 CA GLN A 2 26.735 29.117 4.174 1.00 50.07 C ATOM 20 C GLN A 2 25.785 29.447 5.315 1.00 50.51 C ATOM 21 O GLN A 2 24.533 29.305 5.226 1.00 49.49 O ATOM 22 CB GLN A 2 26.885 30.327 3.247 1.00 49.82 C ATOM 23 CG GLN A 2 28.050 30.228 2.278 1.00 49.82 C ATOM 24 CD GLN A 2 28.136 31.427 1.354 1.00 50.55 C ATOM 25 OE1 GLN A 2 28.635 32.489 1.736 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.648 31.266 0.129 1.00 49.38 N ATOM 0 H GLN A 2 25.616 28.150 2.619 1.00 49.53 H new ATOM 0 HA GLN A 2 27.719 28.873 4.575 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.963 30.451 2.678 1.00 49.82 H new ATOM 0 HB3 GLN A 2 27.008 31.223 3.855 1.00 49.82 H new ATOM 0 HG2 GLN A 2 28.980 30.138 2.840 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.948 29.321 1.683 1.00 49.82 H new ATOM 0 HE21 GLN A 2 27.244 30.370 -0.145 1.00 49.38 H new ATOM 0 HE22 GLN A 2 27.677 32.038 -0.537 1.00 49.38 H new ATOM 35 N ILE A 3 26.370 29.838 6.437 1.00 49.53 N ATOM 36 CA ILE A 3 25.570 30.329 7.576 1.00 50.07 C ATOM 37 C ILE A 3 26.215 31.682 8.000 1.00 50.51 C ATOM 38 O ILE A 3 27.159 32.059 7.326 1.00 49.49 O ATOM 39 CB ILE A 3 25.578 29.347 8.761 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.010 29.105 9.246 1.00 49.82 C ATOM 41 CG2 ILE A 3 24.916 28.035 8.369 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.093 28.484 10.621 1.00 49.73 C ATOM 0 H ILE A 3 27.378 29.830 6.594 1.00 49.53 H new ATOM 0 HA ILE A 3 24.526 30.440 7.282 1.00 50.07 H new ATOM 0 HB ILE A 3 25.008 29.787 9.579 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.520 28.456 8.534 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.546 30.054 9.254 1.00 49.82 H new ATOM 0 HG21 ILE A 3 24.930 27.352 9.219 1.00 49.73 H new ATOM 0 HG22 ILE A 3 23.884 28.223 8.072 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.458 27.589 7.536 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.139 28.344 10.894 1.00 49.73 H new ATOM 0 HD12 ILE A 3 26.613 29.141 11.347 1.00 49.73 H new ATOM 0 HD13 ILE A 3 26.587 27.519 10.615 1.00 49.73 H new ATOM 54 N PHE A 4 25.540 32.315 8.931 1.00 49.53 N ATOM 55 CA PHE A 4 26.096 33.636 9.415 1.00 50.07 C ATOM 56 C PHE A 4 26.347 33.674 10.896 1.00 50.51 C ATOM 57 O PHE A 4 25.364 33.474 11.624 1.00 49.49 O ATOM 58 CB PHE A 4 25.154 34.776 9.022 1.00 49.82 C ATOM 59 CG PHE A 4 24.895 34.867 7.546 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.866 35.353 6.684 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.678 34.466 7.015 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.630 35.437 5.326 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.438 34.548 5.657 1.00 49.88 C ATOM 64 CZ PHE A 4 24.413 35.034 4.812 1.00 49.88 C ATOM 0 H PHE A 4 24.671 32.001 9.363 1.00 49.53 H new ATOM 0 HA PHE A 4 27.064 33.758 8.930 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.204 34.645 9.541 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.578 35.720 9.366 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.820 35.670 7.080 1.00 49.88 H new ATOM 0 HD2 PHE A 4 22.909 34.085 7.671 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.396 35.817 4.667 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.486 34.231 5.257 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.226 35.099 3.750 1.00 49.88 H new ATOM 74 N VAL A 5 27.538 34.021 11.377 1.00 49.53 N ATOM 75 CA VAL A 5 27.784 34.154 12.798 1.00 50.07 C ATOM 76 C VAL A 5 27.858 35.603 13.337 1.00 50.51 C ATOM 77 O VAL A 5 28.795 36.256 12.862 1.00 49.49 O ATOM 78 CB VAL A 5 29.080 33.425 13.198 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.278 33.478 14.705 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.050 31.982 12.717 1.00 49.73 C ATOM 0 H VAL A 5 28.351 34.215 10.792 1.00 49.53 H new ATOM 0 HA VAL A 5 26.904 33.700 13.254 1.00 50.07 H new ATOM 0 HB VAL A 5 29.920 33.931 12.721 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.199 32.958 14.970 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.343 34.517 15.027 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.434 32.997 15.200 1.00 49.73 H new ATOM 0 HG21 VAL A 5 29.974 31.482 13.008 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.201 31.466 13.166 1.00 49.73 H new ATOM 0 HG23 VAL A 5 28.954 31.962 11.631 1.00 49.73 H new ATOM 90 N LYS A 6 26.942 35.972 14.165 1.00 49.53 N ATOM 91 CA LYS A 6 26.920 37.377 14.699 1.00 50.07 C ATOM 92 C LYS A 6 27.857 37.724 15.824 1.00 50.51 C ATOM 93 O LYS A 6 27.790 37.111 16.915 1.00 49.49 O ATOM 94 CB LYS A 6 25.495 37.737 15.120 1.00 49.82 C ATOM 95 CG LYS A 6 24.497 37.797 13.971 1.00 49.82 C ATOM 96 CD LYS A 6 23.159 38.358 14.429 1.00 49.82 C ATOM 97 CE LYS A 6 23.270 39.832 14.792 1.00 50.21 C ATOM 98 NZ LYS A 6 21.961 40.403 15.209 1.00 49.70 N ATOM 0 H LYS A 6 26.194 35.369 14.508 1.00 49.53 H new ATOM 0 HA LYS A 6 27.290 37.966 13.860 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.148 37.004 15.849 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.511 38.704 15.623 1.00 49.82 H new ATOM 0 HG2 LYS A 6 24.899 38.417 13.170 1.00 49.82 H new ATOM 0 HG3 LYS A 6 24.353 36.798 13.559 1.00 49.82 H new ATOM 0 HD2 LYS A 6 22.420 38.231 13.638 1.00 49.82 H new ATOM 0 HD3 LYS A 6 22.803 37.795 15.292 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.992 39.953 15.599 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.652 40.388 13.936 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 22.081 41.408 15.448 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 21.278 40.311 14.430 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 21.608 39.889 16.041 1.00 49.70 H new ATOM 112 N THR A 7 28.745 38.719 15.605 1.00 49.53 N ATOM 113 CA THR A 7 29.690 39.113 16.660 1.00 50.07 C ATOM 114 C THR A 7 29.389 40.299 17.580 1.00 50.51 C ATOM 115 O THR A 7 28.393 40.983 17.330 1.00 49.49 O ATOM 116 CB THR A 7 31.084 39.356 16.052 1.00 50.14 C ATOM 117 OG1 THR A 7 31.071 40.569 15.290 1.00 49.34 O ATOM 118 CG2 THR A 7 31.480 38.198 15.147 1.00 49.73 C ATOM 0 H THR A 7 28.823 39.246 14.735 1.00 49.53 H new ATOM 0 HA THR A 7 29.605 38.252 17.323 1.00 50.07 H new ATOM 0 HB THR A 7 31.808 39.436 16.863 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.355 40.528 14.622 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.468 38.387 14.726 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.503 37.275 15.726 1.00 49.73 H new ATOM 0 HG23 THR A 7 30.754 38.102 14.340 1.00 49.73 H new ATOM 126 N LEU A 8 30.245 40.568 18.541 1.00 49.53 N ATOM 127 CA LEU A 8 30.001 41.671 19.497 1.00 50.07 C ATOM 128 C LEU A 8 30.558 42.964 18.937 1.00 50.51 C ATOM 129 O LEU A 8 30.729 43.939 19.694 1.00 49.49 O ATOM 130 CB LEU A 8 30.636 41.353 20.857 1.00 49.82 C ATOM 131 CG LEU A 8 30.207 40.018 21.481 1.00 49.91 C ATOM 132 CD1 LEU A 8 30.980 39.774 22.771 1.00 49.73 C ATOM 133 CD2 LEU A 8 28.709 40.037 21.744 1.00 49.73 C ATOM 0 H LEU A 8 31.113 40.055 18.696 1.00 49.53 H new ATOM 0 HA LEU A 8 28.927 41.784 19.644 1.00 50.07 H new ATOM 0 HB2 LEU A 8 31.720 41.351 20.743 1.00 49.82 H new ATOM 0 HB3 LEU A 8 30.390 42.156 21.552 1.00 49.82 H new ATOM 0 HG LEU A 8 30.430 39.205 20.790 1.00 49.91 H new ATOM 0 HD11 LEU A 8 30.669 38.825 23.207 1.00 49.73 H new ATOM 0 HD12 LEU A 8 32.048 39.742 22.555 1.00 49.73 H new ATOM 0 HD13 LEU A 8 30.777 40.581 23.475 1.00 49.73 H new ATOM 0 HD21 LEU A 8 28.405 39.089 22.187 1.00 49.73 H new ATOM 0 HD22 LEU A 8 28.470 40.851 22.429 1.00 49.73 H new ATOM 0 HD23 LEU A 8 28.177 40.186 20.805 1.00 49.73 H new ATOM 145 N THR A 9 30.818 43.015 17.616 1.00 49.53 N ATOM 146 CA THR A 9 31.367 44.318 17.109 1.00 50.07 C ATOM 147 C THR A 9 30.543 44.897 16.001 1.00 50.51 C ATOM 148 O THR A 9 30.997 45.764 15.231 1.00 49.49 O ATOM 149 CB THR A 9 32.818 44.160 16.619 1.00 50.14 C ATOM 150 OG1 THR A 9 32.844 43.320 15.457 1.00 49.34 O ATOM 151 CG2 THR A 9 33.684 43.541 17.706 1.00 49.73 C ATOM 0 H THR A 9 30.682 42.269 16.934 1.00 49.53 H new ATOM 0 HA THR A 9 31.336 45.003 17.956 1.00 50.07 H new ATOM 0 HB THR A 9 33.211 45.146 16.373 1.00 50.14 H new ATOM 0 HG1 THR A 9 32.279 42.534 15.609 1.00 49.34 H new ATOM 0 HG21 THR A 9 34.706 43.437 17.342 1.00 49.73 H new ATOM 0 HG22 THR A 9 33.676 44.183 18.587 1.00 49.73 H new ATOM 0 HG23 THR A 9 33.291 42.559 17.969 1.00 49.73 H new ATOM 159 N GLY A 10 29.356 44.411 15.806 1.00 49.53 N ATOM 160 CA GLY A 10 28.453 44.877 14.777 1.00 49.98 C ATOM 161 C GLY A 10 28.884 44.264 13.479 1.00 50.51 C ATOM 162 O GLY A 10 28.448 44.710 12.394 1.00 49.49 O ATOM 0 H GLY A 10 28.969 43.656 16.371 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.427 44.593 15.012 1.00 49.98 H new ATOM 0 HA3 GLY A 10 28.476 45.965 14.712 1.00 49.98 H new ATOM 166 N LYS A 11 29.717 43.258 13.558 1.00 49.53 N ATOM 167 CA LYS A 11 30.139 42.496 12.392 1.00 50.07 C ATOM 168 C LYS A 11 29.465 41.108 12.304 1.00 50.51 C ATOM 169 O LYS A 11 29.251 40.528 13.364 1.00 49.49 O ATOM 170 CB LYS A 11 31.660 42.336 12.387 1.00 49.82 C ATOM 171 CG LYS A 11 32.241 41.895 11.050 1.00 49.82 C ATOM 172 CD LYS A 11 33.728 41.595 11.166 1.00 49.82 C ATOM 173 CE LYS A 11 34.310 41.151 9.832 1.00 50.21 C ATOM 174 NZ LYS A 11 35.765 40.852 9.930 1.00 49.70 N ATOM 0 H LYS A 11 30.128 42.936 14.434 1.00 49.53 H new ATOM 0 HA LYS A 11 29.822 43.062 11.516 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.114 43.285 12.671 1.00 49.82 H new ATOM 0 HB3 LYS A 11 31.939 41.608 13.149 1.00 49.82 H new ATOM 0 HG2 LYS A 11 31.715 41.008 10.697 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.082 42.676 10.307 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.254 42.483 11.517 1.00 49.82 H new ATOM 0 HD3 LYS A 11 33.887 40.816 11.911 1.00 49.82 H new ATOM 0 HE2 LYS A 11 33.781 40.265 9.483 1.00 50.21 H new ATOM 0 HE3 LYS A 11 34.150 41.932 9.089 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 36.121 40.553 9.000 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 36.275 41.704 10.239 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 35.917 40.089 10.620 1.00 49.70 H new ATOM 188 N THR A 12 29.223 40.647 11.091 1.00 49.53 N ATOM 189 CA THR A 12 28.661 39.288 10.973 1.00 50.07 C ATOM 190 C THR A 12 29.677 38.470 10.179 1.00 50.51 C ATOM 191 O THR A 12 30.189 39.028 9.205 1.00 49.49 O ATOM 192 CB THR A 12 27.301 39.281 10.249 1.00 50.14 C ATOM 193 OG1 THR A 12 26.401 40.181 10.909 1.00 49.34 O ATOM 194 CG2 THR A 12 26.705 37.882 10.250 1.00 49.73 C ATOM 0 H THR A 12 29.389 41.145 10.216 1.00 49.53 H new ATOM 0 HA THR A 12 28.483 38.873 11.965 1.00 50.07 H new ATOM 0 HB THR A 12 27.453 39.600 9.218 1.00 50.14 H new ATOM 0 HG1 THR A 12 25.537 40.177 10.447 1.00 49.34 H new ATOM 0 HG21 THR A 12 25.745 37.895 9.735 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.382 37.198 9.738 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.561 37.549 11.278 1.00 49.73 H new ATOM 202 N ILE A 13 29.953 37.257 10.656 1.00 49.53 N ATOM 203 CA ILE A 13 30.943 36.471 9.862 1.00 50.07 C ATOM 204 C ILE A 13 30.291 35.502 8.916 1.00 50.51 C ATOM 205 O ILE A 13 29.174 35.024 9.189 1.00 49.49 O ATOM 206 CB ILE A 13 31.908 35.696 10.780 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.724 36.668 11.637 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.825 34.806 9.957 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.514 35.995 12.737 1.00 49.73 C ATOM 0 H ILE A 13 29.565 36.819 11.491 1.00 49.53 H new ATOM 0 HA ILE A 13 31.498 37.203 9.275 1.00 50.07 H new ATOM 0 HB ILE A 13 31.322 35.061 11.444 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.411 37.217 10.993 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.050 37.400 12.082 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.500 34.266 10.621 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.227 34.093 9.390 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.407 35.420 9.269 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.066 36.747 13.301 1.00 49.73 H new ATOM 0 HD12 ILE A 13 32.832 35.469 13.405 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.214 35.284 12.299 1.00 49.73 H new ATOM 221 N THR A 14 30.901 35.245 7.780 1.00 49.53 N ATOM 222 CA THR A 14 30.262 34.248 6.870 1.00 50.07 C ATOM 223 C THR A 14 31.141 33.026 6.882 1.00 50.51 C ATOM 224 O THR A 14 32.345 33.107 6.522 1.00 49.49 O ATOM 225 CB THR A 14 30.123 34.780 5.432 1.00 50.14 C ATOM 226 OG1 THR A 14 29.422 36.030 5.446 1.00 49.34 O ATOM 227 CG2 THR A 14 29.363 33.785 4.567 1.00 49.73 C ATOM 0 H THR A 14 31.774 35.662 7.457 1.00 49.53 H new ATOM 0 HA THR A 14 29.253 34.027 7.217 1.00 50.07 H new ATOM 0 HB THR A 14 31.120 34.921 5.015 1.00 50.14 H new ATOM 0 HG1 THR A 14 29.336 36.367 4.530 1.00 49.34 H new ATOM 0 HG21 THR A 14 29.274 34.177 3.554 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.902 32.838 4.543 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.368 33.626 4.983 1.00 49.73 H new ATOM 235 N LEU A 15 30.596 31.860 7.192 1.00 49.53 N ATOM 236 CA LEU A 15 31.366 30.636 7.244 1.00 50.07 C ATOM 237 C LEU A 15 30.620 29.662 6.323 1.00 50.51 C ATOM 238 O LEU A 15 29.399 29.693 6.404 1.00 49.49 O ATOM 239 CB LEU A 15 31.453 30.098 8.677 1.00 49.82 C ATOM 240 CG LEU A 15 32.083 31.056 9.696 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.987 30.465 11.097 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.533 31.319 9.320 1.00 49.73 C ATOM 0 H LEU A 15 29.608 31.740 7.414 1.00 49.53 H new ATOM 0 HA LEU A 15 32.397 30.786 6.924 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.448 29.843 9.014 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.030 29.173 8.667 1.00 49.82 H new ATOM 0 HG LEU A 15 31.542 32.002 9.687 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.437 31.152 11.813 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.940 30.307 11.354 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.516 29.512 11.127 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.979 32.000 10.045 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.085 30.379 9.318 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.576 31.767 8.327 1.00 49.73 H new ATOM 254 N GLU A 16 31.384 28.876 5.603 1.00 49.53 N ATOM 255 CA GLU A 16 30.702 27.814 4.793 1.00 50.07 C ATOM 256 C GLU A 16 31.131 26.451 5.289 1.00 50.51 C ATOM 257 O GLU A 16 32.318 26.134 5.220 1.00 49.49 O ATOM 258 CB GLU A 16 31.034 27.970 3.306 1.00 49.82 C ATOM 259 CG GLU A 16 30.215 27.079 2.382 1.00 49.72 C ATOM 260 CD GLU A 16 30.338 27.519 0.950 1.00 50.62 C ATOM 261 OE1 GLU A 16 31.041 28.467 0.698 1.00 49.24 O ATOM 262 OE2 GLU A 16 29.818 26.841 0.095 1.00 49.24 O ATOM 0 H GLU A 16 32.401 28.916 5.539 1.00 49.53 H new ATOM 0 HA GLU A 16 29.623 27.917 4.909 1.00 50.07 H new ATOM 0 HB2 GLU A 16 30.879 29.010 3.019 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.092 27.752 3.157 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.550 26.046 2.478 1.00 49.72 H new ATOM 0 HG3 GLU A 16 29.168 27.103 2.684 1.00 49.72 H new ATOM 269 N VAL A 17 30.146 25.780 5.866 1.00 49.53 N ATOM 270 CA VAL A 17 30.350 24.461 6.455 1.00 50.07 C ATOM 271 C VAL A 17 29.748 23.301 5.649 1.00 50.51 C ATOM 272 O VAL A 17 29.041 23.500 4.635 1.00 49.49 O ATOM 273 CB VAL A 17 29.787 24.404 7.888 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.488 25.422 8.776 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.286 24.649 7.880 1.00 49.73 C ATOM 0 H VAL A 17 29.190 26.128 5.940 1.00 49.53 H new ATOM 0 HA VAL A 17 31.432 24.326 6.453 1.00 50.07 H new ATOM 0 HB VAL A 17 29.972 23.409 8.292 1.00 49.91 H new ATOM 0 HG11 VAL A 17 30.078 25.368 9.785 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.556 25.205 8.806 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.333 26.423 8.374 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.905 24.605 8.900 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.080 25.632 7.458 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.796 23.885 7.276 1.00 49.73 H new ATOM 285 N GLU A 18 30.110 22.128 6.120 1.00 49.53 N ATOM 286 CA GLU A 18 29.591 20.856 5.615 1.00 50.07 C ATOM 287 C GLU A 18 28.730 20.281 6.729 1.00 50.51 C ATOM 288 O GLU A 18 29.041 20.409 7.902 1.00 49.49 O ATOM 289 CB GLU A 18 30.729 19.899 5.250 1.00 49.82 C ATOM 290 CG GLU A 18 30.287 18.660 4.482 1.00 49.72 C ATOM 291 CD GLU A 18 31.468 17.900 3.946 1.00 50.62 C ATOM 292 OE1 GLU A 18 32.576 18.267 4.254 1.00 49.24 O ATOM 293 OE2 GLU A 18 31.262 16.887 3.321 1.00 49.24 O ATOM 0 H GLU A 18 30.784 22.019 6.878 1.00 49.53 H new ATOM 0 HA GLU A 18 29.013 21.002 4.703 1.00 50.07 H new ATOM 0 HB2 GLU A 18 31.464 20.439 4.653 1.00 49.82 H new ATOM 0 HB3 GLU A 18 31.231 19.585 6.165 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.702 18.013 5.136 1.00 49.72 H new ATOM 0 HG3 GLU A 18 29.636 18.953 3.658 1.00 49.72 H new ATOM 300 N PRO A 19 27.634 19.640 6.367 1.00 49.71 N ATOM 301 CA PRO A 19 26.742 18.997 7.333 1.00 50.02 C ATOM 302 C PRO A 19 27.476 18.014 8.211 1.00 50.51 C ATOM 303 O PRO A 19 27.032 17.674 9.317 1.00 49.49 O ATOM 304 CB PRO A 19 25.700 18.280 6.446 1.00 49.82 C ATOM 305 CG PRO A 19 25.662 19.135 5.222 1.00 49.82 C ATOM 306 CD PRO A 19 27.156 19.462 4.973 1.00 50.00 C ATOM 0 HA PRO A 19 26.296 19.713 8.023 1.00 50.02 H new ATOM 0 HB2 PRO A 19 26.000 17.258 6.216 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.725 18.225 6.931 1.00 49.82 H new ATOM 0 HG2 PRO A 19 25.219 18.609 4.377 1.00 49.82 H new ATOM 0 HG3 PRO A 19 25.073 20.038 5.380 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.676 18.655 4.457 1.00 50.00 H new ATOM 0 HD3 PRO A 19 27.288 20.362 4.372 1.00 50.00 H new ATOM 314 N SER A 20 28.592 17.494 7.727 1.00 49.53 N ATOM 315 CA SER A 20 29.340 16.487 8.496 1.00 50.07 C ATOM 316 C SER A 20 30.249 17.062 9.556 1.00 50.51 C ATOM 317 O SER A 20 30.756 16.282 10.381 1.00 49.49 O ATOM 318 CB SER A 20 30.144 15.618 7.548 1.00 50.05 C ATOM 319 OG SER A 20 29.338 14.699 6.864 1.00 49.34 O ATOM 0 H SER A 20 29.001 17.739 6.826 1.00 49.53 H new ATOM 0 HA SER A 20 28.594 15.898 9.029 1.00 50.07 H new ATOM 0 HB2 SER A 20 30.662 16.251 6.828 1.00 50.05 H new ATOM 0 HB3 SER A 20 30.909 15.081 8.109 1.00 50.05 H new ATOM 0 HG SER A 20 29.894 14.160 6.263 1.00 49.34 H new ATOM 325 N ASP A 21 30.559 18.356 9.446 1.00 49.53 N ATOM 326 CA ASP A 21 31.471 18.932 10.470 1.00 50.07 C ATOM 327 C ASP A 21 30.806 19.058 11.815 1.00 50.51 C ATOM 328 O ASP A 21 29.563 19.085 11.914 1.00 49.49 O ATOM 329 CB ASP A 21 31.990 20.298 10.013 1.00 49.72 C ATOM 330 CG ASP A 21 33.109 20.234 8.983 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.482 19.148 8.607 1.00 49.24 O ATOM 332 OD2 ASP A 21 33.473 21.263 8.468 1.00 49.24 O ATOM 0 H ASP A 21 30.229 18.994 8.722 1.00 49.53 H new ATOM 0 HA ASP A 21 32.309 18.243 10.580 1.00 50.07 H new ATOM 0 HB2 ASP A 21 31.160 20.867 9.594 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.346 20.848 10.884 1.00 49.72 H new ATOM 337 N THR A 22 31.616 19.232 12.845 1.00 49.53 N ATOM 338 CA THR A 22 31.127 19.460 14.185 1.00 50.07 C ATOM 339 C THR A 22 31.073 20.972 14.508 1.00 50.51 C ATOM 340 O THR A 22 31.175 21.796 13.595 1.00 49.49 O ATOM 341 CB THR A 22 32.002 18.751 15.235 1.00 50.14 C ATOM 342 OG1 THR A 22 33.286 19.387 15.299 1.00 49.34 O ATOM 343 CG2 THR A 22 32.186 17.285 14.873 1.00 49.73 C ATOM 0 H THR A 22 32.633 19.218 12.771 1.00 49.53 H new ATOM 0 HA THR A 22 30.120 19.045 14.228 1.00 50.07 H new ATOM 0 HB THR A 22 31.506 18.817 16.204 1.00 50.14 H new ATOM 0 HG1 THR A 22 33.814 19.139 14.512 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.807 16.799 15.626 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.213 16.795 14.834 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.670 17.209 13.899 1.00 49.73 H new ATOM 351 N ILE A 23 30.928 21.225 15.809 1.00 49.53 N ATOM 352 CA ILE A 23 30.950 22.594 16.314 1.00 50.07 C ATOM 353 C ILE A 23 32.405 22.979 16.586 1.00 50.51 C ATOM 354 O ILE A 23 32.864 24.092 16.277 1.00 49.49 O ATOM 355 CB ILE A 23 30.123 22.747 17.605 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.679 22.299 17.369 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.164 24.185 18.095 1.00 49.73 C ATOM 358 CD1 ILE A 23 27.892 23.222 16.466 1.00 49.73 C ATOM 0 H ILE A 23 30.796 20.509 16.523 1.00 49.53 H new ATOM 0 HA ILE A 23 30.504 23.250 15.566 1.00 50.07 H new ATOM 0 HB ILE A 23 30.560 22.110 18.374 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.685 21.299 16.934 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.170 22.225 18.330 1.00 49.82 H new ATOM 0 HG21 ILE A 23 29.575 24.275 19.008 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.196 24.470 18.300 1.00 49.73 H new ATOM 0 HG23 ILE A 23 29.751 24.842 17.330 1.00 49.73 H new ATOM 0 HD11 ILE A 23 26.879 22.838 16.347 1.00 49.73 H new ATOM 0 HD12 ILE A 23 27.853 24.217 16.908 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.376 23.277 15.491 1.00 49.73 H new ATOM 370 N GLU A 24 33.158 22.057 17.137 1.00 49.53 N ATOM 371 CA GLU A 24 34.617 22.316 17.382 1.00 50.07 C ATOM 372 C GLU A 24 35.221 22.781 16.080 1.00 50.51 C ATOM 373 O GLU A 24 36.062 23.713 16.050 1.00 49.49 O ATOM 374 CB GLU A 24 35.322 21.054 17.886 1.00 49.82 C ATOM 375 CG GLU A 24 36.827 21.203 18.062 1.00 49.72 C ATOM 376 CD GLU A 24 37.167 22.459 18.814 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.565 22.701 19.832 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.105 23.120 18.433 1.00 49.24 O ATOM 0 H GLU A 24 32.828 21.137 17.428 1.00 49.53 H new ATOM 0 HA GLU A 24 34.739 23.077 18.152 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.884 20.764 18.841 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.129 20.241 17.187 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.220 20.339 18.597 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.310 21.220 17.085 1.00 49.72 H new ATOM 385 N ASN A 25 34.849 22.134 14.989 1.00 49.53 N ATOM 386 CA ASN A 25 35.336 22.440 13.637 1.00 50.07 C ATOM 387 C ASN A 25 34.953 23.839 13.156 1.00 50.51 C ATOM 388 O ASN A 25 35.822 24.627 12.728 1.00 49.49 O ATOM 389 CB ASN A 25 34.858 21.404 12.637 1.00 49.82 C ATOM 390 CG ASN A 25 35.723 20.175 12.578 1.00 50.55 C ATOM 391 OD1 ASN A 25 35.739 19.358 13.506 1.00 49.45 O ATOM 392 ND2 ASN A 25 36.502 20.084 11.532 1.00 49.38 N ATOM 0 H ASN A 25 34.184 21.361 15.010 1.00 49.53 H new ATOM 0 HA ASN A 25 36.424 22.410 13.702 1.00 50.07 H new ATOM 0 HB2 ASN A 25 33.840 21.109 12.892 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.820 21.858 11.647 1.00 49.82 H new ATOM 0 HD21 ASN A 25 37.163 19.311 11.454 1.00 49.38 H new ATOM 0 HD22 ASN A 25 36.449 20.786 10.794 1.00 49.38 H new ATOM 399 N VAL A 26 33.669 24.131 13.304 1.00 49.53 N ATOM 400 CA VAL A 26 33.156 25.441 12.918 1.00 50.07 C ATOM 401 C VAL A 26 33.868 26.571 13.653 1.00 50.51 C ATOM 402 O VAL A 26 34.241 27.587 13.058 1.00 49.49 O ATOM 403 CB VAL A 26 31.642 25.549 13.179 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.142 26.946 12.838 1.00 49.73 C ATOM 405 CG2 VAL A 26 30.886 24.504 12.372 1.00 49.73 C ATOM 0 H VAL A 26 32.971 23.491 13.682 1.00 49.53 H new ATOM 0 HA VAL A 26 33.348 25.542 11.850 1.00 50.07 H new ATOM 0 HB VAL A 26 31.461 25.365 14.238 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.070 27.005 13.028 1.00 49.73 H new ATOM 0 HG12 VAL A 26 31.661 27.679 13.455 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.336 27.155 11.786 1.00 49.73 H new ATOM 0 HG21 VAL A 26 29.818 24.595 12.569 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.074 24.659 11.310 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.224 23.508 12.659 1.00 49.73 H new ATOM 415 N LYS A 27 34.087 26.370 14.947 1.00 49.53 N ATOM 416 CA LYS A 27 34.760 27.391 15.765 1.00 50.07 C ATOM 417 C LYS A 27 36.184 27.493 15.244 1.00 50.51 C ATOM 418 O LYS A 27 36.751 28.615 15.246 1.00 49.49 O ATOM 419 CB LYS A 27 34.746 27.009 17.246 1.00 49.82 C ATOM 420 CG LYS A 27 33.373 27.084 17.902 1.00 49.82 C ATOM 421 CD LYS A 27 33.474 26.939 19.413 1.00 49.82 C ATOM 422 CE LYS A 27 32.102 26.993 20.067 1.00 50.21 C ATOM 423 NZ LYS A 27 32.182 26.826 21.544 1.00 49.70 N ATOM 0 H LYS A 27 33.816 25.527 15.453 1.00 49.53 H new ATOM 0 HA LYS A 27 34.246 28.349 15.689 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.130 25.994 17.351 1.00 49.82 H new ATOM 0 HB3 LYS A 27 35.429 27.666 17.785 1.00 49.82 H new ATOM 0 HG2 LYS A 27 32.902 28.036 17.657 1.00 49.82 H new ATOM 0 HG3 LYS A 27 32.733 26.298 17.501 1.00 49.82 H new ATOM 0 HD2 LYS A 27 33.959 25.994 19.658 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.102 27.734 19.815 1.00 49.82 H new ATOM 0 HE2 LYS A 27 31.627 27.946 19.835 1.00 50.21 H new ATOM 0 HE3 LYS A 27 31.469 26.211 19.647 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 31.222 26.750 21.937 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 32.717 25.963 21.767 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 32.663 27.649 21.961 1.00 49.70 H new ATOM 437 N ALA A 28 36.781 26.387 14.852 1.00 49.53 N ATOM 438 CA ALA A 28 38.130 26.390 14.272 1.00 50.07 C ATOM 439 C ALA A 28 38.213 27.142 12.955 1.00 50.51 C ATOM 440 O ALA A 28 39.146 27.992 12.753 1.00 49.49 O ATOM 441 CB ALA A 28 38.629 24.944 14.088 1.00 49.73 C ATOM 0 H ALA A 28 36.358 25.461 14.921 1.00 49.53 H new ATOM 0 HA ALA A 28 38.772 26.920 14.975 1.00 50.07 H new ATOM 0 HB1 ALA A 28 39.630 24.957 13.657 1.00 49.73 H new ATOM 0 HB2 ALA A 28 38.656 24.443 15.055 1.00 49.73 H new ATOM 0 HB3 ALA A 28 37.954 24.408 13.421 1.00 49.73 H new ATOM 447 N LYS A 29 37.280 26.941 12.037 1.00 49.53 N ATOM 448 CA LYS A 29 37.256 27.705 10.774 1.00 50.07 C ATOM 449 C LYS A 29 37.520 29.190 11.087 1.00 50.51 C ATOM 450 O LYS A 29 38.241 29.921 10.366 1.00 49.49 O ATOM 451 CB LYS A 29 35.913 27.537 10.062 1.00 49.82 C ATOM 452 CG LYS A 29 35.834 28.213 8.699 1.00 49.82 C ATOM 453 CD LYS A 29 36.990 27.791 7.805 1.00 49.82 C ATOM 454 CE LYS A 29 36.872 26.329 7.400 1.00 50.21 C ATOM 455 NZ LYS A 29 38.010 25.894 6.546 1.00 49.70 N ATOM 0 H LYS A 29 36.526 26.260 12.131 1.00 49.53 H new ATOM 0 HA LYS A 29 38.032 27.327 10.108 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.712 26.473 9.938 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.125 27.938 10.699 1.00 49.82 H new ATOM 0 HG2 LYS A 29 34.889 27.959 8.219 1.00 49.82 H new ATOM 0 HG3 LYS A 29 35.846 29.295 8.826 1.00 49.82 H new ATOM 0 HD2 LYS A 29 37.010 28.417 6.913 1.00 49.82 H new ATOM 0 HD3 LYS A 29 37.933 27.951 8.327 1.00 49.82 H new ATOM 0 HE2 LYS A 29 36.831 25.707 8.294 1.00 50.21 H new ATOM 0 HE3 LYS A 29 35.936 26.176 6.863 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 37.891 24.892 6.293 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 38.034 26.470 5.680 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 38.902 26.015 7.067 1.00 49.70 H new ATOM 469 N ILE A 30 36.985 29.641 12.221 1.00 49.53 N ATOM 470 CA ILE A 30 37.185 31.050 12.608 1.00 50.07 C ATOM 471 C ILE A 30 38.629 31.279 13.076 1.00 50.51 C ATOM 472 O ILE A 30 39.161 32.402 12.915 1.00 49.49 O ATOM 473 CB ILE A 30 36.217 31.474 13.728 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.792 31.604 13.180 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.670 32.783 14.356 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.724 31.595 14.250 1.00 49.73 C ATOM 0 H ILE A 30 36.430 29.083 12.870 1.00 49.53 H new ATOM 0 HA ILE A 30 36.983 31.658 11.726 1.00 50.07 H new ATOM 0 HB ILE A 30 36.221 30.704 14.500 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.715 32.530 12.610 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.604 30.786 12.485 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.974 33.068 15.145 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.667 32.658 14.778 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.694 33.563 13.595 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.743 31.691 13.785 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.773 30.658 14.805 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.885 32.430 14.932 1.00 49.73 H new ATOM 488 N GLN A 31 39.244 30.308 13.701 1.00 49.53 N ATOM 489 CA GLN A 31 40.656 30.529 14.145 1.00 50.07 C ATOM 490 C GLN A 31 41.489 30.952 12.924 1.00 50.51 C ATOM 491 O GLN A 31 42.389 31.824 12.922 1.00 49.49 O ATOM 492 CB GLN A 31 41.238 29.256 14.768 1.00 49.82 C ATOM 493 CG GLN A 31 42.582 29.455 15.447 1.00 49.82 C ATOM 494 CD GLN A 31 42.978 28.268 16.305 1.00 50.55 C ATOM 495 OE1 GLN A 31 42.282 27.251 16.340 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.098 28.395 17.008 1.00 49.38 N ATOM 0 H GLN A 31 38.845 29.395 13.919 1.00 49.53 H new ATOM 0 HA GLN A 31 40.680 31.310 14.905 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.529 28.865 15.498 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.345 28.500 13.990 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.347 29.624 14.689 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.544 30.351 16.067 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.643 29.255 16.948 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.413 27.632 17.607 1.00 49.38 H new ATOM 505 N ASP A 32 41.210 30.274 11.837 1.00 49.53 N ATOM 506 CA ASP A 32 41.911 30.570 10.566 1.00 50.07 C ATOM 507 C ASP A 32 41.741 31.984 10.053 1.00 50.51 C ATOM 508 O ASP A 32 42.514 32.510 9.220 1.00 49.49 O ATOM 509 CB ASP A 32 41.465 29.583 9.484 1.00 49.72 C ATOM 510 CG ASP A 32 42.068 29.842 8.110 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.268 29.776 7.986 1.00 49.24 O ATOM 512 OD2 ASP A 32 41.321 29.950 7.167 1.00 49.24 O ATOM 0 H ASP A 32 40.520 29.524 11.784 1.00 49.53 H new ATOM 0 HA ASP A 32 42.972 30.462 10.793 1.00 50.07 H new ATOM 0 HB2 ASP A 32 41.729 28.573 9.799 1.00 49.72 H new ATOM 0 HB3 ASP A 32 40.379 29.618 9.403 1.00 49.72 H new ATOM 517 N LYS A 33 40.687 32.686 10.512 1.00 49.53 N ATOM 518 CA LYS A 33 40.483 34.036 9.921 1.00 50.07 C ATOM 519 C LYS A 33 40.772 35.100 10.920 1.00 50.51 C ATOM 520 O LYS A 33 41.424 36.119 10.504 1.00 49.49 O ATOM 521 CB LYS A 33 39.054 34.180 9.395 1.00 49.82 C ATOM 522 CG LYS A 33 38.662 33.146 8.348 1.00 49.82 C ATOM 523 CD LYS A 33 39.662 33.111 7.202 1.00 49.82 C ATOM 524 CE LYS A 33 39.473 34.297 6.266 1.00 50.21 C ATOM 525 NZ LYS A 33 40.404 34.243 5.107 1.00 49.70 N ATOM 0 H LYS A 33 40.018 32.386 11.221 1.00 49.53 H new ATOM 0 HA LYS A 33 41.176 34.149 9.088 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.362 34.110 10.234 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.936 35.175 8.967 1.00 49.82 H new ATOM 0 HG2 LYS A 33 38.602 32.161 8.811 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.670 33.376 7.960 1.00 49.82 H new ATOM 0 HD2 LYS A 33 40.676 33.118 7.601 1.00 49.82 H new ATOM 0 HD3 LYS A 33 39.546 32.182 6.644 1.00 49.82 H new ATOM 0 HE2 LYS A 33 38.445 34.314 5.905 1.00 50.21 H new ATOM 0 HE3 LYS A 33 39.633 35.224 6.817 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 40.243 35.068 4.494 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 41.386 34.252 5.450 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 40.234 33.371 4.566 1.00 49.70 H new ATOM 539 N GLU A 34 40.489 34.983 12.188 1.00 49.53 N ATOM 540 CA GLU A 34 40.751 35.983 13.197 1.00 50.07 C ATOM 541 C GLU A 34 42.100 35.705 13.812 1.00 50.51 C ATOM 542 O GLU A 34 42.975 36.576 13.784 1.00 49.49 O ATOM 543 CB GLU A 34 39.659 35.977 14.269 1.00 49.82 C ATOM 544 CG GLU A 34 38.319 36.530 13.805 1.00 49.72 C ATOM 545 CD GLU A 34 37.344 36.628 14.945 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.701 36.263 16.040 1.00 49.24 O ATOM 547 OE2 GLU A 34 36.282 37.169 14.747 1.00 49.24 O ATOM 0 H GLU A 34 40.047 34.147 12.569 1.00 49.53 H new ATOM 0 HA GLU A 34 40.752 36.971 12.737 1.00 50.07 H new ATOM 0 HB2 GLU A 34 39.515 34.954 14.618 1.00 49.82 H new ATOM 0 HB3 GLU A 34 40.003 36.560 15.124 1.00 49.82 H new ATOM 0 HG2 GLU A 34 38.464 37.515 13.362 1.00 49.72 H new ATOM 0 HG3 GLU A 34 37.908 35.887 13.026 1.00 49.72 H new ATOM 554 N GLY A 35 42.307 34.500 14.316 1.00 49.53 N ATOM 555 CA GLY A 35 43.574 34.090 14.864 1.00 49.98 C ATOM 556 C GLY A 35 43.251 33.746 16.264 1.00 50.51 C ATOM 557 O GLY A 35 44.178 33.551 17.094 1.00 49.49 O ATOM 0 H GLY A 35 41.588 33.777 14.353 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.986 33.236 14.326 1.00 49.98 H new ATOM 0 HA3 GLY A 35 44.313 34.889 14.808 1.00 49.98 H new ATOM 561 N ILE A 36 41.964 33.505 16.572 1.00 49.53 N ATOM 562 CA ILE A 36 41.622 33.153 17.958 1.00 50.07 C ATOM 563 C ILE A 36 41.324 31.691 18.239 1.00 50.51 C ATOM 564 O ILE A 36 40.586 31.036 17.483 1.00 49.49 O ATOM 565 CB ILE A 36 40.424 33.988 18.449 1.00 49.91 C ATOM 566 CG1 ILE A 36 40.778 35.476 18.458 1.00 49.82 C ATOM 567 CG2 ILE A 36 39.990 33.531 19.833 1.00 49.73 C ATOM 568 CD1 ILE A 36 39.640 36.371 18.893 1.00 49.73 C ATOM 0 H ILE A 36 41.182 33.544 15.918 1.00 49.53 H new ATOM 0 HA ILE A 36 42.540 33.378 18.501 1.00 50.07 H new ATOM 0 HB ILE A 36 39.591 33.838 17.762 1.00 49.91 H new ATOM 0 HG12 ILE A 36 41.627 35.634 19.123 1.00 49.82 H new ATOM 0 HG13 ILE A 36 41.097 35.770 17.458 1.00 49.82 H new ATOM 0 HG21 ILE A 36 39.143 34.131 20.165 1.00 49.73 H new ATOM 0 HG22 ILE A 36 39.699 32.481 19.795 1.00 49.73 H new ATOM 0 HG23 ILE A 36 40.817 33.653 20.532 1.00 49.73 H new ATOM 0 HD11 ILE A 36 39.967 37.411 18.874 1.00 49.73 H new ATOM 0 HD12 ILE A 36 38.797 36.243 18.214 1.00 49.73 H new ATOM 0 HD13 ILE A 36 39.334 36.105 19.905 1.00 49.73 H new ATOM 580 N PRO A 37 41.866 31.165 19.333 1.00 49.71 N ATOM 581 CA PRO A 37 41.637 29.771 19.754 1.00 50.02 C ATOM 582 C PRO A 37 40.155 29.494 19.928 1.00 50.51 C ATOM 583 O PRO A 37 39.462 30.339 20.553 1.00 49.49 O ATOM 584 CB PRO A 37 42.343 29.773 21.144 1.00 49.82 C ATOM 585 CG PRO A 37 43.458 30.762 20.966 1.00 49.82 C ATOM 586 CD PRO A 37 42.756 31.916 20.265 1.00 50.00 C ATOM 0 HA PRO A 37 41.998 29.023 19.048 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.662 30.074 21.940 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.721 28.784 21.404 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.888 31.066 21.920 1.00 49.82 H new ATOM 0 HG3 PRO A 37 44.271 30.355 20.365 1.00 49.82 H new ATOM 0 HD2 PRO A 37 42.196 32.543 20.958 1.00 50.00 H new ATOM 0 HD3 PRO A 37 43.453 32.567 19.738 1.00 50.00 H new ATOM 594 N PRO A 38 39.664 28.369 19.471 1.00 49.71 N ATOM 595 CA PRO A 38 38.229 28.067 19.605 1.00 50.02 C ATOM 596 C PRO A 38 37.743 28.095 21.029 1.00 50.51 C ATOM 597 O PRO A 38 36.571 28.455 21.327 1.00 49.49 O ATOM 598 CB PRO A 38 38.078 26.722 18.901 1.00 49.82 C ATOM 599 CG PRO A 38 39.197 26.750 17.864 1.00 49.82 C ATOM 600 CD PRO A 38 40.366 27.312 18.701 1.00 50.00 C ATOM 0 HA PRO A 38 37.592 28.826 19.151 1.00 50.02 H new ATOM 0 HB2 PRO A 38 38.191 25.889 19.594 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.098 26.618 18.435 1.00 49.82 H new ATOM 0 HG2 PRO A 38 39.415 25.759 17.466 1.00 49.82 H new ATOM 0 HG3 PRO A 38 38.955 27.388 17.014 1.00 49.82 H new ATOM 0 HD2 PRO A 38 40.814 26.557 19.347 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.166 27.714 18.079 1.00 50.00 H new ATOM 608 N ASP A 39 38.577 27.735 21.974 1.00 49.53 N ATOM 609 CA ASP A 39 38.152 27.682 23.399 1.00 50.07 C ATOM 610 C ASP A 39 37.761 28.996 24.064 1.00 50.51 C ATOM 611 O ASP A 39 37.000 29.050 25.070 1.00 49.49 O ATOM 612 CB ASP A 39 39.246 27.012 24.233 1.00 49.72 C ATOM 613 CG ASP A 39 39.460 25.537 23.922 1.00 50.62 C ATOM 614 OD1 ASP A 39 38.539 24.774 24.090 1.00 49.24 O ATOM 615 OD2 ASP A 39 40.486 25.209 23.373 1.00 49.24 O ATOM 0 H ASP A 39 39.549 27.472 21.811 1.00 49.53 H new ATOM 0 HA ASP A 39 37.225 27.109 23.369 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.184 27.544 24.074 1.00 49.72 H new ATOM 0 HB3 ASP A 39 38.996 27.116 25.289 1.00 49.72 H new ATOM 620 N GLN A 40 38.179 30.104 23.477 1.00 49.53 N ATOM 621 CA GLN A 40 37.813 31.422 24.051 1.00 50.07 C ATOM 622 C GLN A 40 36.389 31.791 23.596 1.00 50.51 C ATOM 623 O GLN A 40 35.710 32.521 24.308 1.00 49.49 O ATOM 624 CB GLN A 40 38.804 32.502 23.607 1.00 49.82 C ATOM 625 CG GLN A 40 40.241 32.238 24.026 1.00 49.82 C ATOM 626 CD GLN A 40 41.150 33.419 23.747 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.708 34.457 23.244 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.430 33.268 24.067 1.00 49.38 N ATOM 0 H GLN A 40 38.752 30.139 22.634 1.00 49.53 H new ATOM 0 HA GLN A 40 37.848 31.359 25.139 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.764 32.592 22.521 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.488 33.461 24.018 1.00 49.82 H new ATOM 0 HG2 GLN A 40 40.269 32.005 25.090 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.616 31.362 23.497 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.752 32.393 24.481 1.00 49.38 H new ATOM 0 HE22 GLN A 40 43.091 34.027 23.899 1.00 49.38 H new ATOM 637 N GLN A 41 35.872 31.122 22.590 1.00 49.53 N ATOM 638 CA GLN A 41 34.570 31.399 22.032 1.00 50.07 C ATOM 639 C GLN A 41 33.514 30.429 22.519 1.00 50.51 C ATOM 640 O GLN A 41 33.559 29.219 22.357 1.00 49.49 O ATOM 641 CB GLN A 41 34.629 31.363 20.503 1.00 49.82 C ATOM 642 CG GLN A 41 35.688 32.270 19.900 1.00 49.82 C ATOM 643 CD GLN A 41 35.574 32.368 18.391 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.638 31.836 17.789 1.00 49.45 O ATOM 645 NE2 GLN A 41 36.532 33.048 17.769 1.00 49.38 N ATOM 0 H GLN A 41 36.357 30.353 22.128 1.00 49.53 H new ATOM 0 HA GLN A 41 34.287 32.396 22.371 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.818 30.339 20.182 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.654 31.647 20.106 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.599 33.266 20.334 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.677 31.895 20.163 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.288 33.472 18.307 1.00 49.38 H new ATOM 0 HE22 GLN A 41 36.511 33.146 16.754 1.00 49.38 H new ATOM 654 N ARG A 42 32.404 31.004 22.981 1.00 49.53 N ATOM 655 CA ARG A 42 31.199 30.193 23.337 1.00 50.07 C ATOM 656 C ARG A 42 30.070 30.467 22.367 1.00 50.51 C ATOM 657 O ARG A 42 29.931 31.692 21.968 1.00 49.49 O ATOM 658 CB ARG A 42 30.763 30.408 24.779 1.00 49.82 C ATOM 659 CG ARG A 42 31.555 29.621 25.811 1.00 49.82 C ATOM 660 CD ARG A 42 30.981 29.656 27.180 1.00 50.20 C ATOM 661 NE ARG A 42 29.693 28.993 27.311 1.00 49.30 N ATOM 662 CZ ARG A 42 28.920 29.035 28.413 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.313 29.673 29.493 1.00 49.20 N ATOM 664 NH2 ARG A 42 27.763 28.397 28.388 1.00 49.20 N ATOM 0 H ARG A 42 32.296 32.008 23.122 1.00 49.53 H new ATOM 0 HA ARG A 42 31.475 29.142 23.254 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.843 31.470 25.013 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.710 30.140 24.869 1.00 49.82 H new ATOM 0 HG2 ARG A 42 31.623 28.583 25.485 1.00 49.82 H new ATOM 0 HG3 ARG A 42 32.572 30.012 25.846 1.00 49.82 H new ATOM 0 HD2 ARG A 42 31.687 29.191 27.868 1.00 50.20 H new ATOM 0 HD3 ARG A 42 30.873 30.696 27.489 1.00 50.20 H new ATOM 0 HE ARG A 42 29.351 28.459 26.512 1.00 49.30 H new ATOM 0 HH11 ARG A 42 30.216 30.147 29.505 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.715 29.695 30.319 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.478 27.891 27.550 1.00 49.20 H new ATOM 0 HH22 ARG A 42 27.155 28.410 29.207 1.00 49.20 H new ATOM 678 N LEU A 43 29.337 29.454 21.910 1.00 49.53 N ATOM 679 CA LEU A 43 28.258 29.677 20.915 1.00 50.07 C ATOM 680 C LEU A 43 26.853 29.348 21.407 1.00 50.51 C ATOM 681 O LEU A 43 26.663 28.283 22.010 1.00 49.49 O ATOM 682 CB LEU A 43 28.558 28.876 19.641 1.00 49.82 C ATOM 683 CG LEU A 43 29.732 29.400 18.803 1.00 49.91 C ATOM 684 CD1 LEU A 43 29.836 28.614 17.503 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.536 30.882 18.523 1.00 49.73 C ATOM 0 H LEU A 43 29.457 28.483 22.198 1.00 49.53 H new ATOM 0 HA LEU A 43 28.257 30.749 20.719 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.764 27.843 19.920 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.664 28.865 19.018 1.00 49.82 H new ATOM 0 HG LEU A 43 30.662 29.269 19.357 1.00 49.91 H new ATOM 0 HD11 LEU A 43 30.672 28.993 16.915 1.00 49.73 H new ATOM 0 HD12 LEU A 43 29.998 27.560 17.727 1.00 49.73 H new ATOM 0 HD13 LEU A 43 28.912 28.726 16.935 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.370 31.253 17.928 1.00 49.73 H new ATOM 0 HD22 LEU A 43 28.605 31.029 17.975 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.492 31.428 19.466 1.00 49.73 H new ATOM 697 N ILE A 44 25.938 30.293 21.219 1.00 49.53 N ATOM 698 CA ILE A 44 24.558 30.165 21.674 1.00 50.07 C ATOM 699 C ILE A 44 23.590 30.119 20.498 1.00 50.51 C ATOM 700 O ILE A 44 23.569 30.977 19.640 1.00 49.49 O ATOM 701 CB ILE A 44 24.161 31.323 22.609 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.053 31.333 23.853 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.696 31.212 23.000 1.00 49.73 C ATOM 704 CD1 ILE A 44 24.882 32.562 24.717 1.00 49.73 C ATOM 0 H ILE A 44 26.134 31.174 20.744 1.00 49.53 H new ATOM 0 HA ILE A 44 24.496 29.227 22.226 1.00 50.07 H new ATOM 0 HB ILE A 44 24.303 32.264 22.077 1.00 49.91 H new ATOM 0 HG12 ILE A 44 24.837 30.447 24.451 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.095 31.261 23.542 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.432 32.038 23.661 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.076 31.252 22.104 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.528 30.267 23.516 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.547 32.496 25.578 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.127 33.452 24.137 1.00 49.73 H new ATOM 0 HD13 ILE A 44 23.849 32.625 25.060 1.00 49.73 H new ATOM 716 N PHE A 45 22.739 29.058 20.508 1.00 49.53 N ATOM 717 CA PHE A 45 21.707 28.891 19.473 1.00 50.07 C ATOM 718 C PHE A 45 20.436 28.385 20.182 1.00 50.51 C ATOM 719 O PHE A 45 20.370 27.270 20.701 1.00 49.49 O ATOM 720 CB PHE A 45 22.161 27.902 18.398 1.00 49.82 C ATOM 721 CG PHE A 45 21.332 27.946 17.146 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.526 28.945 16.203 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.357 26.989 16.907 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.765 28.986 15.050 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.595 27.028 15.756 1.00 49.88 C ATOM 726 CZ PHE A 45 19.799 28.028 14.827 1.00 49.88 C ATOM 0 H PHE A 45 22.753 28.321 21.213 1.00 49.53 H new ATOM 0 HA PHE A 45 21.516 29.837 18.967 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.200 28.109 18.142 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.129 26.893 18.809 1.00 49.82 H new ATOM 0 HD1 PHE A 45 22.280 29.699 16.372 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.192 26.204 17.630 1.00 49.88 H new ATOM 0 HE1 PHE A 45 20.927 29.769 14.324 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.839 26.276 15.583 1.00 49.88 H new ATOM 0 HZ PHE A 45 19.203 28.060 13.927 1.00 49.88 H new ATOM 736 N ALA A 46 19.512 29.311 20.264 1.00 49.53 N ATOM 737 CA ALA A 46 18.176 29.072 20.847 1.00 50.07 C ATOM 738 C ALA A 46 18.416 28.830 22.330 1.00 50.51 C ATOM 739 O ALA A 46 17.851 27.912 22.941 1.00 49.49 O ATOM 740 CB ALA A 46 17.505 27.902 20.200 1.00 49.73 C ATOM 0 H ALA A 46 19.648 30.265 19.931 1.00 49.53 H new ATOM 0 HA ALA A 46 17.509 29.919 20.687 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.524 27.751 20.650 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.389 28.093 19.133 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.112 27.008 20.345 1.00 49.73 H new ATOM 746 N GLY A 47 19.292 29.627 22.868 1.00 49.53 N ATOM 747 CA GLY A 47 19.750 29.661 24.225 1.00 49.98 C ATOM 748 C GLY A 47 20.684 28.556 24.650 1.00 50.51 C ATOM 749 O GLY A 47 21.787 28.844 25.164 1.00 49.49 O ATOM 0 H GLY A 47 19.751 30.344 22.307 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.252 30.614 24.391 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.879 29.641 24.879 1.00 49.98 H new ATOM 753 N LYS A 48 20.324 27.323 24.416 1.00 49.53 N ATOM 754 CA LYS A 48 21.179 26.175 24.744 1.00 50.07 C ATOM 755 C LYS A 48 22.685 26.331 24.466 1.00 50.51 C ATOM 756 O LYS A 48 23.030 27.025 23.522 1.00 49.49 O ATOM 757 CB LYS A 48 20.665 24.931 24.018 1.00 49.82 C ATOM 758 CG LYS A 48 19.270 24.488 24.437 1.00 49.82 C ATOM 759 CD LYS A 48 19.250 24.019 25.884 1.00 49.82 C ATOM 760 CE LYS A 48 20.140 22.801 26.084 1.00 50.21 C ATOM 761 NZ LYS A 48 20.046 22.266 27.469 1.00 49.70 N ATOM 0 H LYS A 48 19.432 27.068 23.993 1.00 49.53 H new ATOM 0 HA LYS A 48 21.105 26.089 25.828 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.664 25.126 22.946 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.361 24.110 24.192 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.571 25.314 24.311 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.932 23.682 23.786 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.584 24.827 26.535 1.00 49.82 H new ATOM 0 HD3 LYS A 48 18.228 23.777 26.176 1.00 49.82 H new ATOM 0 HE2 LYS A 48 19.856 22.024 25.375 1.00 50.21 H new ATOM 0 HE3 LYS A 48 21.174 23.068 25.867 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 20.667 21.437 27.564 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 20.341 22.999 28.145 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 19.064 21.987 27.668 1.00 49.70 H new ATOM 775 N GLN A 49 23.517 25.701 25.252 1.00 49.53 N ATOM 776 CA GLN A 49 24.978 25.716 24.961 1.00 50.07 C ATOM 777 C GLN A 49 25.185 24.623 23.917 1.00 50.51 C ATOM 778 O GLN A 49 24.444 23.607 23.955 1.00 49.49 O ATOM 779 CB GLN A 49 25.801 25.428 26.221 1.00 49.82 C ATOM 780 CG GLN A 49 27.301 25.367 25.983 1.00 49.82 C ATOM 781 CD GLN A 49 28.066 24.956 27.227 1.00 50.55 C ATOM 782 OE1 GLN A 49 29.301 24.939 27.236 1.00 49.45 O ATOM 783 NE2 GLN A 49 27.338 24.619 28.285 1.00 49.38 N ATOM 0 H GLN A 49 23.246 25.176 26.084 1.00 49.53 H new ATOM 0 HA GLN A 49 25.307 26.692 24.605 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.593 26.200 26.962 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.473 24.480 26.647 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.511 24.660 25.180 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.653 26.343 25.648 1.00 49.82 H new ATOM 0 HE21 GLN A 49 26.320 24.647 28.233 1.00 49.38 H new ATOM 0 HE22 GLN A 49 27.797 24.332 29.149 1.00 49.38 H new ATOM 792 N LEU A 50 26.112 24.811 23.008 1.00 49.53 N ATOM 793 CA LEU A 50 26.336 23.864 21.903 1.00 50.07 C ATOM 794 C LEU A 50 27.528 23.003 22.287 1.00 50.51 C ATOM 795 O LEU A 50 28.476 23.553 22.814 1.00 49.49 O ATOM 796 CB LEU A 50 26.594 24.611 20.589 1.00 49.82 C ATOM 797 CG LEU A 50 25.514 25.624 20.190 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.020 26.511 19.061 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.252 24.885 19.771 1.00 49.73 C ATOM 0 H LEU A 50 26.738 25.616 22.999 1.00 49.53 H new ATOM 0 HA LEU A 50 25.455 23.243 21.742 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.548 25.133 20.668 1.00 49.82 H new ATOM 0 HB3 LEU A 50 26.697 23.879 19.788 1.00 49.82 H new ATOM 0 HG LEU A 50 25.280 26.260 21.044 1.00 49.91 H new ATOM 0 HD11 LEU A 50 25.245 27.227 18.785 1.00 49.73 H new ATOM 0 HD12 LEU A 50 26.909 27.048 19.391 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.268 25.894 18.197 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.485 25.606 19.488 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.474 24.239 18.922 1.00 49.73 H new ATOM 0 HD23 LEU A 50 23.891 24.280 20.603 1.00 49.73 H new ATOM 811 N GLU A 51 27.486 21.714 21.949 1.00 49.53 N ATOM 812 CA GLU A 51 28.585 20.802 22.332 1.00 50.07 C ATOM 813 C GLU A 51 29.580 20.810 21.204 1.00 50.51 C ATOM 814 O GLU A 51 29.226 21.206 20.096 1.00 49.49 O ATOM 815 CB GLU A 51 28.062 19.387 22.586 1.00 49.82 C ATOM 816 CG GLU A 51 27.225 19.243 23.849 1.00 49.72 C ATOM 817 CD GLU A 51 28.081 18.898 25.035 1.00 50.62 C ATOM 818 OE1 GLU A 51 29.251 18.660 24.851 1.00 49.24 O ATOM 819 OE2 GLU A 51 27.595 18.981 26.139 1.00 49.24 O ATOM 0 H GLU A 51 26.728 21.278 21.424 1.00 49.53 H new ATOM 0 HA GLU A 51 29.051 21.135 23.259 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.463 19.075 21.730 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.910 18.705 22.647 1.00 49.82 H new ATOM 0 HG2 GLU A 51 26.691 20.173 24.042 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.473 18.468 23.703 1.00 49.72 H new ATOM 826 N ASP A 52 30.828 20.483 21.437 1.00 49.53 N ATOM 827 CA ASP A 52 31.923 20.525 20.474 1.00 50.07 C ATOM 828 C ASP A 52 31.886 19.246 19.656 1.00 50.51 C ATOM 829 O ASP A 52 32.255 19.291 18.448 1.00 49.49 O ATOM 830 CB ASP A 52 33.271 20.674 21.182 1.00 49.72 C ATOM 831 CG ASP A 52 33.543 22.069 21.730 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.711 22.927 21.555 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.500 22.225 22.451 1.00 49.24 O ATOM 0 H ASP A 52 31.133 20.160 22.355 1.00 49.53 H new ATOM 0 HA ASP A 52 31.804 21.390 19.821 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.317 19.959 22.003 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.065 20.410 20.484 1.00 49.72 H new ATOM 838 N GLY A 53 31.592 18.127 20.280 1.00 49.53 N ATOM 839 CA GLY A 53 31.573 16.797 19.643 1.00 49.98 C ATOM 840 C GLY A 53 30.322 16.430 18.916 1.00 50.51 C ATOM 841 O GLY A 53 30.186 15.294 18.406 1.00 49.49 O ATOM 0 H GLY A 53 31.351 18.099 21.271 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.405 16.742 18.941 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.754 16.046 20.412 1.00 49.98 H new ATOM 845 N ARG A 54 29.330 17.312 18.844 1.00 49.53 N ATOM 846 CA ARG A 54 28.095 17.050 18.080 1.00 50.07 C ATOM 847 C ARG A 54 28.300 17.694 16.716 1.00 50.51 C ATOM 848 O ARG A 54 29.112 18.631 16.572 1.00 49.49 O ATOM 849 CB ARG A 54 26.843 17.558 18.781 1.00 49.82 C ATOM 850 CG ARG A 54 26.538 16.887 20.111 1.00 49.82 C ATOM 851 CD ARG A 54 25.189 17.190 20.655 1.00 50.20 C ATOM 852 NE ARG A 54 24.904 16.570 21.938 1.00 49.30 N ATOM 853 CZ ARG A 54 24.568 15.276 22.104 1.00 50.64 C ATOM 854 NH1 ARG A 54 24.438 14.472 21.073 1.00 49.20 N ATOM 855 NH2 ARG A 54 24.350 14.841 23.334 1.00 49.20 N ATOM 0 H ARG A 54 29.349 18.222 19.305 1.00 49.53 H new ATOM 0 HA ARG A 54 27.924 15.978 17.986 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.947 18.630 18.947 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.990 17.419 18.116 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.634 15.808 19.990 1.00 49.82 H new ATOM 0 HG3 ARG A 54 27.288 17.194 20.840 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.086 18.270 20.757 1.00 50.20 H new ATOM 0 HD3 ARG A 54 24.439 16.865 19.934 1.00 50.20 H new ATOM 0 HE ARG A 54 24.962 17.156 22.771 1.00 49.30 H new ATOM 0 HH11 ARG A 54 24.592 14.825 20.128 1.00 49.20 H new ATOM 0 HH12 ARG A 54 24.183 13.495 21.217 1.00 49.20 H new ATOM 0 HH21 ARG A 54 24.438 15.480 24.124 1.00 49.20 H new ATOM 0 HH22 ARG A 54 24.094 13.866 23.492 1.00 49.20 H new ATOM 869 N THR A 55 27.521 17.277 15.749 1.00 49.53 N ATOM 870 CA THR A 55 27.536 17.831 14.377 1.00 50.07 C ATOM 871 C THR A 55 26.385 18.857 14.252 1.00 50.51 C ATOM 872 O THR A 55 25.585 19.004 15.171 1.00 49.49 O ATOM 873 CB THR A 55 27.365 16.733 13.309 1.00 50.14 C ATOM 874 OG1 THR A 55 26.012 16.262 13.319 1.00 49.34 O ATOM 875 CG2 THR A 55 28.305 15.570 13.585 1.00 49.73 C ATOM 0 H THR A 55 26.838 16.530 15.874 1.00 49.53 H new ATOM 0 HA THR A 55 28.503 18.304 14.206 1.00 50.07 H new ATOM 0 HB THR A 55 27.603 17.155 12.333 1.00 50.14 H new ATOM 0 HG1 THR A 55 26.007 15.283 13.359 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.170 14.804 12.821 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.336 15.923 13.567 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.083 15.148 14.565 1.00 49.73 H new ATOM 883 N LEU A 56 26.388 19.583 13.154 1.00 49.53 N ATOM 884 CA LEU A 56 25.330 20.563 12.853 1.00 50.07 C ATOM 885 C LEU A 56 24.026 19.795 12.657 1.00 50.51 C ATOM 886 O LEU A 56 22.989 20.380 12.811 1.00 49.49 O ATOM 887 CB LEU A 56 25.683 21.376 11.601 1.00 49.82 C ATOM 888 CG LEU A 56 26.592 22.588 11.844 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.682 22.230 12.845 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.199 23.040 10.524 1.00 49.73 C ATOM 0 H LEU A 56 27.113 19.522 12.440 1.00 49.53 H new ATOM 0 HA LEU A 56 25.226 21.272 13.675 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.169 20.715 10.883 1.00 49.82 H new ATOM 0 HB3 LEU A 56 24.758 21.722 11.139 1.00 49.82 H new ATOM 0 HG LEU A 56 26.004 23.407 12.259 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.322 23.096 13.011 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.225 21.930 13.788 1.00 49.73 H new ATOM 0 HD13 LEU A 56 28.280 21.407 12.453 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.845 23.901 10.696 1.00 49.73 H new ATOM 0 HD22 LEU A 56 27.785 22.227 10.096 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.403 23.316 9.833 1.00 49.73 H new ATOM 902 N SER A 57 24.117 18.468 12.436 1.00 49.53 N ATOM 903 CA SER A 57 22.850 17.722 12.233 1.00 50.07 C ATOM 904 C SER A 57 21.968 17.548 13.449 1.00 50.51 C ATOM 905 O SER A 57 20.719 17.375 13.313 1.00 49.49 O ATOM 906 CB SER A 57 23.162 16.361 11.640 1.00 50.05 C ATOM 907 OG SER A 57 23.674 15.475 12.598 1.00 49.34 O ATOM 0 H SER A 57 24.978 17.922 12.394 1.00 49.53 H new ATOM 0 HA SER A 57 22.266 18.347 11.558 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.256 15.939 11.204 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.883 16.475 10.830 1.00 50.05 H new ATOM 0 HG SER A 57 24.346 15.935 13.143 1.00 49.34 H new ATOM 913 N ASP A 58 22.553 17.618 14.631 1.00 49.53 N ATOM 914 CA ASP A 58 21.779 17.466 15.891 1.00 50.07 C ATOM 915 C ASP A 58 20.658 18.478 16.148 1.00 50.51 C ATOM 916 O ASP A 58 19.656 18.202 16.814 1.00 49.49 O ATOM 917 CB ASP A 58 22.737 17.473 17.085 1.00 49.72 C ATOM 918 CG ASP A 58 22.165 16.858 18.355 1.00 50.62 C ATOM 919 OD1 ASP A 58 22.076 15.655 18.421 1.00 49.24 O ATOM 920 OD2 ASP A 58 21.968 17.578 19.303 1.00 49.24 O ATOM 0 H ASP A 58 23.552 17.777 14.765 1.00 49.53 H new ATOM 0 HA ASP A 58 21.264 16.513 15.767 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.643 16.933 16.811 1.00 49.72 H new ATOM 0 HB3 ASP A 58 23.030 18.502 17.294 1.00 49.72 H new ATOM 925 N TYR A 59 20.917 19.697 15.771 1.00 49.53 N ATOM 926 CA TYR A 59 19.985 20.814 15.908 1.00 50.07 C ATOM 927 C TYR A 59 19.324 21.093 14.577 1.00 50.51 C ATOM 928 O TYR A 59 18.546 22.066 14.507 1.00 49.49 O ATOM 929 CB TYR A 59 20.710 22.064 16.414 1.00 49.82 C ATOM 930 CG TYR A 59 21.245 21.934 17.822 1.00 50.00 C ATOM 931 CD1 TYR A 59 20.386 21.742 18.894 1.00 49.88 C ATOM 932 CD2 TYR A 59 22.607 22.005 18.076 1.00 49.88 C ATOM 933 CE1 TYR A 59 20.870 21.622 20.183 1.00 49.88 C ATOM 934 CE2 TYR A 59 23.101 21.886 19.361 1.00 49.88 C ATOM 935 CZ TYR A 59 22.228 21.695 20.412 1.00 50.11 C ATOM 936 OH TYR A 59 22.714 21.578 21.694 1.00 49.46 O ATOM 0 H TYR A 59 21.805 19.964 15.346 1.00 49.53 H new ATOM 0 HA TYR A 59 19.221 20.546 16.637 1.00 50.07 H new ATOM 0 HB2 TYR A 59 21.537 22.290 15.741 1.00 49.82 H new ATOM 0 HB3 TYR A 59 20.025 22.911 16.373 1.00 49.82 H new ATOM 0 HD1 TYR A 59 19.322 21.685 18.719 1.00 49.88 H new ATOM 0 HD2 TYR A 59 23.293 22.156 17.255 1.00 49.88 H new ATOM 0 HE1 TYR A 59 20.188 21.472 21.007 1.00 49.88 H new ATOM 0 HE2 TYR A 59 24.164 21.942 19.541 1.00 49.88 H new ATOM 0 HH TYR A 59 23.691 21.651 21.681 1.00 49.46 H new ATOM 946 N ASN A 60 19.541 20.329 13.527 1.00 49.53 N ATOM 947 CA ASN A 60 18.871 20.638 12.247 1.00 50.07 C ATOM 948 C ASN A 60 19.288 22.074 11.954 1.00 50.51 C ATOM 949 O ASN A 60 18.445 22.947 11.670 1.00 49.49 O ATOM 950 CB ASN A 60 17.362 20.503 12.333 1.00 49.82 C ATOM 951 CG ASN A 60 16.889 19.085 12.500 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.558 18.134 12.081 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.704 18.944 13.035 1.00 49.38 N ATOM 0 H ASN A 60 20.152 19.512 13.514 1.00 49.53 H new ATOM 0 HA ASN A 60 19.159 19.943 11.459 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.000 21.098 13.172 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.917 20.921 11.430 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.291 18.015 13.122 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.193 19.763 13.366 1.00 49.38 H new ATOM 960 N ILE A 61 20.582 22.325 11.930 1.00 49.53 N ATOM 961 CA ILE A 61 21.103 23.676 11.563 1.00 50.07 C ATOM 962 C ILE A 61 20.740 23.877 10.094 1.00 50.51 C ATOM 963 O ILE A 61 20.965 22.884 9.342 1.00 49.49 O ATOM 964 CB ILE A 61 22.627 23.785 11.749 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.999 23.608 13.224 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.133 25.121 11.226 1.00 49.73 C ATOM 967 CD1 ILE A 61 22.575 24.762 14.103 1.00 49.73 C ATOM 0 H ILE A 61 21.303 21.638 12.153 1.00 49.53 H new ATOM 0 HA ILE A 61 20.665 24.437 12.209 1.00 50.07 H new ATOM 0 HB ILE A 61 23.104 22.990 11.176 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.541 22.692 13.597 1.00 49.82 H new ATOM 0 HG13 ILE A 61 24.079 23.480 13.304 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.212 25.181 11.365 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.899 25.209 10.165 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.651 25.932 11.772 1.00 49.73 H new ATOM 0 HD11 ILE A 61 22.873 24.564 15.133 1.00 49.73 H new ATOM 0 HD12 ILE A 61 23.054 25.678 13.757 1.00 49.73 H new ATOM 0 HD13 ILE A 61 21.492 24.878 14.055 1.00 49.73 H new ATOM 979 N GLN A 62 20.194 25.004 9.735 1.00 49.53 N ATOM 980 CA GLN A 62 19.733 25.291 8.344 1.00 50.07 C ATOM 981 C GLN A 62 20.415 26.435 7.588 1.00 50.51 C ATOM 982 O GLN A 62 21.281 27.121 8.159 1.00 49.49 O ATOM 983 CB GLN A 62 18.224 25.549 8.352 1.00 49.82 C ATOM 984 CG GLN A 62 17.383 24.313 8.620 1.00 49.82 C ATOM 985 CD GLN A 62 15.895 24.593 8.523 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.347 24.738 7.427 1.00 49.45 O ATOM 987 NE2 GLN A 62 15.234 24.675 9.671 1.00 49.38 N ATOM 0 H GLN A 62 20.041 25.777 10.382 1.00 49.53 H new ATOM 0 HA GLN A 62 20.020 24.394 7.795 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.999 26.299 9.110 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.934 25.971 7.390 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.650 23.533 7.907 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.613 23.929 9.614 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.728 24.548 10.554 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.232 24.865 9.670 1.00 49.38 H new ATOM 996 N LYS A 63 20.106 26.598 6.303 1.00 49.53 N ATOM 997 CA LYS A 63 20.731 27.600 5.471 1.00 50.07 C ATOM 998 C LYS A 63 20.363 29.032 5.852 1.00 50.51 C ATOM 999 O LYS A 63 19.219 29.389 6.082 1.00 49.49 O ATOM 1000 CB LYS A 63 20.384 27.355 4.001 1.00 49.82 C ATOM 1001 CG LYS A 63 20.799 28.478 3.060 1.00 49.82 C ATOM 1002 CD LYS A 63 20.308 28.224 1.643 1.00 49.82 C ATOM 1003 CE LYS A 63 18.800 28.398 1.539 1.00 50.21 C ATOM 1004 NZ LYS A 63 18.388 29.813 1.745 1.00 49.70 N ATOM 0 H LYS A 63 19.411 26.032 5.816 1.00 49.53 H new ATOM 0 HA LYS A 63 21.804 27.500 5.632 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.862 26.431 3.677 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.308 27.204 3.915 1.00 49.82 H new ATOM 0 HG2 LYS A 63 20.398 29.425 3.422 1.00 49.82 H new ATOM 0 HG3 LYS A 63 21.885 28.572 3.059 1.00 49.82 H new ATOM 0 HD2 LYS A 63 20.803 28.910 0.956 1.00 49.82 H new ATOM 0 HD3 LYS A 63 20.581 27.214 1.337 1.00 49.82 H new ATOM 0 HE2 LYS A 63 18.463 28.061 0.559 1.00 50.21 H new ATOM 0 HE3 LYS A 63 18.310 27.766 2.280 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 17.420 29.948 1.390 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 18.420 30.040 2.760 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 19.036 30.442 1.229 1.00 49.70 H new ATOM 1018 N GLU A 64 21.434 29.836 5.921 1.00 49.53 N ATOM 1019 CA GLU A 64 21.401 31.237 6.248 1.00 50.07 C ATOM 1020 C GLU A 64 20.740 31.616 7.541 1.00 50.51 C ATOM 1021 O GLU A 64 20.168 32.723 7.701 1.00 49.49 O ATOM 1022 CB GLU A 64 20.742 32.015 5.106 1.00 49.82 C ATOM 1023 CG GLU A 64 21.526 32.000 3.802 1.00 49.72 C ATOM 1024 CD GLU A 64 20.745 32.640 2.687 1.00 50.62 C ATOM 1025 OE1 GLU A 64 19.633 33.048 2.926 1.00 49.24 O ATOM 1026 OE2 GLU A 64 21.299 32.822 1.629 1.00 49.24 O ATOM 0 H GLU A 64 22.379 29.497 5.740 1.00 49.53 H new ATOM 0 HA GLU A 64 22.450 31.500 6.386 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.750 31.600 4.925 1.00 49.82 H new ATOM 0 HB3 GLU A 64 20.602 33.049 5.420 1.00 49.82 H new ATOM 0 HG2 GLU A 64 22.470 32.528 3.937 1.00 49.72 H new ATOM 0 HG3 GLU A 64 21.771 30.972 3.534 1.00 49.72 H new ATOM 1033 N SER A 65 21.039 30.836 8.567 1.00 49.53 N ATOM 1034 CA SER A 65 20.590 31.094 9.941 1.00 50.07 C ATOM 1035 C SER A 65 21.650 32.063 10.514 1.00 50.51 C ATOM 1036 O SER A 65 22.700 32.257 9.913 1.00 49.49 O ATOM 1037 CB SER A 65 20.513 29.809 10.742 1.00 50.05 C ATOM 1038 OG SER A 65 21.777 29.237 10.943 1.00 49.34 O ATOM 0 H SER A 65 21.607 29.994 8.476 1.00 49.53 H new ATOM 0 HA SER A 65 19.586 31.517 9.980 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.049 30.011 11.707 1.00 50.05 H new ATOM 0 HB3 SER A 65 19.871 29.097 10.223 1.00 50.05 H new ATOM 0 HG SER A 65 21.684 28.412 11.464 1.00 49.34 H new ATOM 1044 N THR A 66 21.351 32.673 11.630 1.00 49.53 N ATOM 1045 CA THR A 66 22.294 33.552 12.331 1.00 50.07 C ATOM 1046 C THR A 66 22.611 32.883 13.670 1.00 50.51 C ATOM 1047 O THR A 66 21.656 32.458 14.359 1.00 49.49 O ATOM 1048 CB THR A 66 21.712 34.957 12.574 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.613 34.869 13.490 1.00 49.34 O ATOM 1050 CG2 THR A 66 21.229 35.566 11.266 1.00 49.73 C ATOM 0 H THR A 66 20.447 32.584 12.093 1.00 49.53 H new ATOM 0 HA THR A 66 23.187 33.688 11.721 1.00 50.07 H new ATOM 0 HB THR A 66 22.493 35.591 12.993 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.676 34.033 13.998 1.00 49.34 H new ATOM 0 HG21 THR A 66 20.821 36.559 11.456 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.065 35.644 10.571 1.00 49.73 H new ATOM 0 HG23 THR A 66 20.455 34.932 10.833 1.00 49.73 H new ATOM 1058 N LEU A 67 23.894 32.799 14.034 1.00 49.53 N ATOM 1059 CA LEU A 67 24.255 32.268 15.354 1.00 50.07 C ATOM 1060 C LEU A 67 24.769 33.366 16.309 1.00 50.51 C ATOM 1061 O LEU A 67 25.148 34.407 15.747 1.00 49.49 O ATOM 1062 CB LEU A 67 25.309 31.163 15.204 1.00 49.82 C ATOM 1063 CG LEU A 67 24.808 29.867 14.554 1.00 49.91 C ATOM 1064 CD1 LEU A 67 24.721 30.041 13.044 1.00 49.73 C ATOM 1065 CD2 LEU A 67 25.745 28.722 14.913 1.00 49.73 C ATOM 0 H LEU A 67 24.682 33.083 13.452 1.00 49.53 H new ATOM 0 HA LEU A 67 23.349 31.855 15.797 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.137 31.551 14.611 1.00 49.82 H new ATOM 0 HB3 LEU A 67 25.707 30.926 16.191 1.00 49.82 H new ATOM 0 HG LEU A 67 23.811 29.634 14.928 1.00 49.91 H new ATOM 0 HD11 LEU A 67 24.364 29.116 12.591 1.00 49.73 H new ATOM 0 HD12 LEU A 67 24.029 30.850 12.810 1.00 49.73 H new ATOM 0 HD13 LEU A 67 25.708 30.282 12.648 1.00 49.73 H new ATOM 0 HD21 LEU A 67 25.388 27.801 14.451 1.00 49.73 H new ATOM 0 HD22 LEU A 67 26.748 28.945 14.550 1.00 49.73 H new ATOM 0 HD23 LEU A 67 25.770 28.598 15.996 1.00 49.73 H new ATOM 1077 N HIS A 68 24.750 33.123 17.571 1.00 49.53 N ATOM 1078 CA HIS A 68 25.278 34.135 18.516 1.00 50.07 C ATOM 1079 C HIS A 68 26.705 33.771 18.918 1.00 50.51 C ATOM 1080 O HIS A 68 26.981 32.622 19.323 1.00 49.49 O ATOM 1081 CB HIS A 68 24.387 34.242 19.757 1.00 49.92 C ATOM 1082 CG HIS A 68 23.075 34.916 19.499 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.198 35.245 20.511 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.492 35.322 18.348 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.130 35.826 19.991 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.284 35.884 18.681 1.00 49.64 N ATOM 0 H HIS A 68 24.393 32.268 17.998 1.00 49.53 H new ATOM 0 HA HIS A 68 25.282 35.105 18.019 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.201 33.241 20.147 1.00 49.92 H new ATOM 0 HB3 HIS A 68 24.922 34.792 20.531 1.00 49.92 H new ATOM 0 HD2 HIS A 68 22.900 35.223 17.353 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.277 36.191 20.544 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.614 36.282 18.023 1.00 49.64 H new ATOM 1094 N LEU A 69 27.604 34.740 18.862 1.00 49.53 N ATOM 1095 CA LEU A 69 28.985 34.543 19.290 1.00 50.07 C ATOM 1096 C LEU A 69 29.250 35.364 20.517 1.00 50.51 C ATOM 1097 O LEU A 69 28.952 36.610 20.475 1.00 49.49 O ATOM 1098 CB LEU A 69 29.955 34.923 18.164 1.00 49.82 C ATOM 1099 CG LEU A 69 31.436 34.966 18.565 1.00 49.91 C ATOM 1100 CD1 LEU A 69 31.852 33.631 19.165 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.283 35.298 17.346 1.00 49.73 C ATOM 0 H LEU A 69 27.402 35.680 18.522 1.00 49.53 H new ATOM 0 HA LEU A 69 29.141 33.490 19.527 1.00 50.07 H new ATOM 0 HB2 LEU A 69 29.836 34.210 17.348 1.00 49.82 H new ATOM 0 HB3 LEU A 69 29.671 35.901 17.776 1.00 49.82 H new ATOM 0 HG LEU A 69 31.588 35.740 19.318 1.00 49.91 H new ATOM 0 HD11 LEU A 69 32.904 33.671 19.447 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.248 33.425 20.048 1.00 49.73 H new ATOM 0 HD13 LEU A 69 31.703 32.840 18.430 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.335 35.329 17.631 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.136 34.535 16.582 1.00 49.73 H new ATOM 0 HD23 LEU A 69 31.986 36.269 16.950 1.00 49.73 H new ATOM 1113 N VAL A 70 29.712 34.791 21.580 1.00 49.53 N ATOM 1114 CA VAL A 70 30.092 35.583 22.786 1.00 50.07 C ATOM 1115 C VAL A 70 31.606 35.376 22.942 1.00 50.51 C ATOM 1116 O VAL A 70 32.094 34.247 22.709 1.00 49.49 O ATOM 1117 CB VAL A 70 29.358 35.109 24.055 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.710 36.000 25.237 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.855 35.097 23.828 1.00 49.73 C ATOM 0 H VAL A 70 29.848 33.785 21.674 1.00 49.53 H new ATOM 0 HA VAL A 70 29.818 36.630 22.660 1.00 50.07 H new ATOM 0 HB VAL A 70 29.681 34.092 24.280 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.183 35.651 26.125 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.785 35.962 25.414 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.415 37.026 25.020 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.353 34.760 24.735 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.517 36.103 23.579 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.616 34.420 23.008 1.00 49.73 H new ATOM 1129 N LEU A 71 32.327 36.415 23.293 1.00 49.53 N ATOM 1130 CA LEU A 71 33.788 36.296 23.500 1.00 50.07 C ATOM 1131 C LEU A 71 33.979 36.207 24.990 1.00 50.51 C ATOM 1132 O LEU A 71 33.546 37.095 25.750 1.00 49.49 O ATOM 1133 CB LEU A 71 34.527 37.505 22.912 1.00 49.82 C ATOM 1134 CG LEU A 71 34.383 37.684 21.395 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.077 38.965 20.953 1.00 49.73 C ATOM 1136 CD2 LEU A 71 34.975 36.477 20.682 1.00 49.73 C ATOM 0 H LEU A 71 31.950 37.351 23.445 1.00 49.53 H new ATOM 0 HA LEU A 71 34.197 35.421 22.995 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.164 38.407 23.404 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.586 37.415 23.152 1.00 49.82 H new ATOM 0 HG LEU A 71 33.327 37.761 21.136 1.00 49.91 H new ATOM 0 HD11 LEU A 71 34.970 39.084 19.875 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.624 39.818 21.459 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.135 38.912 21.208 1.00 49.73 H new ATOM 0 HD21 LEU A 71 34.872 36.605 19.604 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.031 36.385 20.938 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.447 35.576 20.993 1.00 49.73 H new ATOM 1148 N ARG A 72 34.712 35.256 25.434 1.00 49.53 N ATOM 1149 CA ARG A 72 35.040 35.076 26.865 1.00 50.07 C ATOM 1150 C ARG A 72 36.566 35.100 26.829 1.00 50.51 C ATOM 1151 O ARG A 72 37.072 34.114 26.205 1.00 49.49 O ATOM 1152 CB ARG A 72 34.472 33.799 27.465 1.00 49.82 C ATOM 1153 CG ARG A 72 34.753 33.608 28.947 1.00 49.82 C ATOM 1154 CD ARG A 72 33.979 32.511 29.582 1.00 50.20 C ATOM 1155 NE ARG A 72 34.195 32.370 31.012 1.00 49.30 N ATOM 1156 CZ ARG A 72 35.192 31.654 31.569 1.00 50.64 C ATOM 1157 NH1 ARG A 72 36.042 30.984 30.823 1.00 49.20 N ATOM 1158 NH2 ARG A 72 35.279 31.624 32.887 1.00 49.20 N ATOM 0 H ARG A 72 35.127 34.547 24.830 1.00 49.53 H new ATOM 0 HA ARG A 72 34.602 35.837 27.511 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.393 33.791 27.311 1.00 49.82 H new ATOM 0 HB3 ARG A 72 34.878 32.947 26.920 1.00 49.82 H new ATOM 0 HG2 ARG A 72 35.817 33.410 29.080 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.534 34.540 29.469 1.00 49.82 H new ATOM 0 HD2 ARG A 72 32.917 32.682 29.403 1.00 50.20 H new ATOM 0 HD3 ARG A 72 34.238 31.571 29.094 1.00 50.20 H new ATOM 0 HE ARG A 72 33.546 32.846 31.639 1.00 49.30 H new ATOM 0 HH11 ARG A 72 35.953 31.001 29.807 1.00 49.20 H new ATOM 0 HH12 ARG A 72 36.791 30.447 31.260 1.00 49.20 H new ATOM 0 HH21 ARG A 72 34.602 32.134 33.455 1.00 49.20 H new ATOM 0 HH22 ARG A 72 36.023 31.091 33.337 1.00 49.20 H new ATOM 1172 N LEU A 73 37.226 36.068 27.375 1.00 49.53 N ATOM 1173 CA LEU A 73 38.709 36.082 27.316 1.00 50.07 C ATOM 1174 C LEU A 73 39.312 35.511 28.592 1.00 50.51 C ATOM 1175 O LEU A 73 38.602 35.227 29.568 1.00 49.49 O ATOM 1176 CB LEU A 73 39.217 37.509 27.076 1.00 49.82 C ATOM 1177 CG LEU A 73 38.762 38.151 25.759 1.00 49.91 C ATOM 1178 CD1 LEU A 73 39.254 39.590 25.682 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.292 37.337 24.588 1.00 49.73 C ATOM 0 H LEU A 73 36.804 36.857 27.864 1.00 49.53 H new ATOM 0 HA LEU A 73 39.023 35.452 26.484 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.887 38.139 27.902 1.00 49.82 H new ATOM 0 HB3 LEU A 73 40.307 37.498 27.099 1.00 49.82 H new ATOM 0 HG LEU A 73 37.673 38.161 25.716 1.00 49.91 H new ATOM 0 HD11 LEU A 73 38.926 40.037 24.744 1.00 49.73 H new ATOM 0 HD12 LEU A 73 38.846 40.159 26.517 1.00 49.73 H new ATOM 0 HD13 LEU A 73 40.343 39.605 25.730 1.00 49.73 H new ATOM 0 HD21 LEU A 73 38.969 37.793 23.652 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.381 37.315 24.624 1.00 49.73 H new ATOM 0 HD23 LEU A 73 38.906 36.319 24.648 1.00 49.73 H new ATOM 1191 N ARG A 74 40.602 35.231 28.492 1.00 49.53 N ATOM 1192 CA ARG A 74 41.371 34.662 29.612 1.00 50.07 C ATOM 1193 C ARG A 74 41.980 35.608 30.644 1.00 50.51 C ATOM 1194 O ARG A 74 43.042 36.210 30.407 1.00 49.49 O ATOM 1195 CB ARG A 74 42.436 33.703 29.102 1.00 49.82 C ATOM 1196 CG ARG A 74 41.905 32.379 28.575 1.00 49.82 C ATOM 1197 CD ARG A 74 42.913 31.557 27.858 1.00 50.20 C ATOM 1198 NE ARG A 74 42.403 30.299 27.336 1.00 49.30 N ATOM 1199 CZ ARG A 74 43.129 29.417 26.621 1.00 50.64 C ATOM 1200 NH1 ARG A 74 44.380 29.667 26.306 1.00 49.20 N ATOM 1201 NH2 ARG A 74 42.541 28.303 26.222 1.00 49.20 N ATOM 0 H ARG A 74 41.150 35.386 27.646 1.00 49.53 H new ATOM 0 HA ARG A 74 40.591 34.154 30.179 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.997 34.195 28.307 1.00 49.82 H new ATOM 0 HB3 ARG A 74 43.139 33.500 29.910 1.00 49.82 H new ATOM 0 HG2 ARG A 74 41.510 31.801 29.411 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.071 32.578 27.902 1.00 49.82 H new ATOM 0 HD2 ARG A 74 43.319 32.141 27.032 1.00 50.20 H new ATOM 0 HD3 ARG A 74 43.740 31.346 28.536 1.00 50.20 H new ATOM 0 HE ARG A 74 41.427 30.068 27.524 1.00 49.30 H new ATOM 0 HH11 ARG A 74 44.816 30.540 26.603 1.00 49.20 H new ATOM 0 HH12 ARG A 74 44.915 28.988 25.764 1.00 49.20 H new ATOM 0 HH21 ARG A 74 41.564 28.130 26.457 1.00 49.20 H new ATOM 0 HH22 ARG A 74 43.065 27.616 25.679 1.00 49.20 H new ATOM 1215 N GLY A 75 41.251 35.772 31.742 1.00 49.53 N ATOM 1216 CA GLY A 75 41.662 36.622 32.851 1.00 49.98 C ATOM 1217 C GLY A 75 40.662 37.757 32.938 1.00 50.51 C ATOM 1218 O GLY A 75 39.637 37.793 32.236 1.00 49.49 O ATOM 0 H GLY A 75 40.351 35.315 31.888 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.684 36.056 33.782 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.669 37.007 32.688 1.00 49.98 H new ATOM 1222 N GLY A 76 41.036 38.735 33.743 1.00 49.53 N ATOM 1223 CA GLY A 76 40.258 39.958 33.992 1.00 49.98 C ATOM 1224 C GLY A 76 39.952 40.091 35.493 1.00 50.51 C ATOM 1225 O GLY A 76 38.840 40.571 35.790 1.00 49.49 O ATOM 0 H GLY A 76 41.914 38.710 34.262 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.815 40.829 33.648 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.328 39.929 33.424 1.00 49.98 H new