USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot -79:sc= 0.904 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.522 (180deg=0.52) USER MOD Single : A 2 GLN : amide:sc= 0.457 X(o=0.46,f=0) 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 45:sc= 0.157 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 25 ASN : amide:sc= -0.69 K(o=-0.69,f=-4.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -117:sc= 1.17 (180deg=0.264) USER MOD Single : A 31 GLN : amide:sc= -0.0447 X(o=-0.045,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= 1.29 (180deg=0.242) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 1.35 K(o=1.3,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.344 K(o=0.34,f=-0.21) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= 0.867 USER MOD Single : A 60 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= 0.0405 X(o=0.04,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 1.08 (180deg=1.01) USER MOD Single : A 65 SER OG : rot -130:sc= 0.199 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.950 31.568 15.212 1.00 0.00 N ATOM 2 CA MET A 1 13.872 31.088 16.602 1.00 0.00 C ATOM 3 C MET A 1 15.204 31.426 17.267 1.00 0.00 C ATOM 4 O MET A 1 16.214 31.415 16.565 1.00 0.00 O ATOM 5 CB MET A 1 13.643 29.572 16.667 1.00 0.00 C ATOM 6 CG MET A 1 13.571 29.170 18.138 1.00 0.00 C ATOM 7 SD MET A 1 13.270 27.441 18.594 1.00 0.00 S ATOM 8 CE MET A 1 15.012 26.971 18.401 1.00 0.00 C ATOM 0 H1 MET A 1 13.046 31.387 14.731 1.00 0.00 H new ATOM 0 H2 MET A 1 14.146 32.589 15.208 1.00 0.00 H new ATOM 0 H3 MET A 1 14.713 31.067 14.714 1.00 0.00 H new ATOM 0 HA MET A 1 13.032 31.565 17.106 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.720 29.303 16.153 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.453 29.042 16.166 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.511 29.468 18.601 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.785 29.768 18.599 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.130 25.911 18.628 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.328 27.160 17.375 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.625 27.559 19.084 1.00 0.00 H new ATOM 20 N GLN A 2 15.160 31.918 18.500 1.00 0.00 N ATOM 21 CA GLN A 2 16.353 32.331 19.210 1.00 0.00 C ATOM 22 C GLN A 2 16.864 31.198 20.096 1.00 0.00 C ATOM 23 O GLN A 2 16.059 30.444 20.633 1.00 0.00 O ATOM 24 CB GLN A 2 15.965 33.549 20.050 1.00 0.00 C ATOM 25 CG GLN A 2 16.934 34.728 19.902 1.00 0.00 C ATOM 26 CD GLN A 2 16.565 36.024 20.602 1.00 0.00 C ATOM 27 OE1 GLN A 2 17.334 36.980 20.487 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.361 36.107 21.154 1.00 0.00 N ATOM 0 H GLN A 2 14.297 32.039 19.029 1.00 0.00 H new ATOM 0 HA GLN A 2 17.157 32.581 18.518 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.964 33.873 19.765 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.918 33.257 21.099 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.910 34.411 20.271 1.00 0.00 H new ATOM 0 HG3 GLN A 2 17.048 34.939 18.839 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.772 35.277 21.219 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.025 37.001 21.513 1.00 0.00 H new ATOM 37 N ILE A 3 18.177 31.202 20.319 1.00 0.00 N ATOM 38 CA ILE A 3 18.983 30.551 21.320 1.00 0.00 C ATOM 39 C ILE A 3 20.118 31.464 21.789 1.00 0.00 C ATOM 40 O ILE A 3 20.567 32.333 21.052 1.00 0.00 O ATOM 41 CB ILE A 3 19.382 29.105 20.987 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.199 29.132 19.696 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.292 28.062 20.733 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.862 27.834 19.257 1.00 0.00 C ATOM 0 H ILE A 3 18.777 31.748 19.701 1.00 0.00 H new ATOM 0 HA ILE A 3 18.347 30.396 22.191 1.00 0.00 H new ATOM 0 HB ILE A 3 19.885 28.787 21.900 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.544 29.465 18.890 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.978 29.887 19.806 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.754 27.099 20.513 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.664 27.969 21.619 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.681 28.373 19.886 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.407 28.000 18.328 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.555 27.500 20.029 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.100 27.071 19.099 1.00 0.00 H new ATOM 56 N PHE A 4 20.532 31.141 23.009 1.00 0.00 N ATOM 57 CA PHE A 4 21.619 31.885 23.614 1.00 0.00 C ATOM 58 C PHE A 4 22.874 31.017 23.735 1.00 0.00 C ATOM 59 O PHE A 4 22.756 29.810 23.965 1.00 0.00 O ATOM 60 CB PHE A 4 21.126 32.278 25.008 1.00 0.00 C ATOM 61 CG PHE A 4 20.072 33.368 24.991 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.381 34.617 24.438 1.00 0.00 C ATOM 63 CD2 PHE A 4 18.755 33.054 25.331 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.448 35.649 24.444 1.00 0.00 C ATOM 65 CE2 PHE A 4 17.810 34.091 25.326 1.00 0.00 C ATOM 66 CZ PHE A 4 18.167 35.390 24.955 1.00 0.00 C ATOM 0 H PHE A 4 20.143 30.391 23.581 1.00 0.00 H new ATOM 0 HA PHE A 4 21.885 32.753 23.010 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.718 31.396 25.502 1.00 0.00 H new ATOM 0 HB3 PHE A 4 21.975 32.613 25.604 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.355 34.781 24.002 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.472 32.044 25.590 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.704 36.627 24.064 1.00 0.00 H new ATOM 0 HE2 PHE A 4 16.790 33.882 25.614 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.456 36.196 25.062 1.00 0.00 H new ATOM 76 N VAL A 5 24.064 31.601 23.809 1.00 0.00 N ATOM 77 CA VAL A 5 25.273 30.834 24.048 1.00 0.00 C ATOM 78 C VAL A 5 25.978 31.724 25.072 1.00 0.00 C ATOM 79 O VAL A 5 26.234 32.915 24.893 1.00 0.00 O ATOM 80 CB VAL A 5 25.871 30.440 22.702 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.203 29.755 22.975 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.032 29.547 21.778 1.00 0.00 C ATOM 0 H VAL A 5 24.214 32.605 23.706 1.00 0.00 H new ATOM 0 HA VAL A 5 25.249 29.838 24.490 1.00 0.00 H new ATOM 0 HB VAL A 5 25.948 31.374 22.146 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.660 29.459 22.031 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.866 30.444 23.499 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.038 28.871 23.591 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.586 29.351 20.860 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.817 28.604 22.280 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.096 30.051 21.536 1.00 0.00 H new ATOM 92 N LYS A 6 26.389 31.151 26.200 1.00 0.00 N ATOM 93 CA LYS A 6 27.378 31.685 27.111 1.00 0.00 C ATOM 94 C LYS A 6 28.733 31.299 26.520 1.00 0.00 C ATOM 95 O LYS A 6 28.968 30.124 26.268 1.00 0.00 O ATOM 96 CB LYS A 6 27.195 31.001 28.472 1.00 0.00 C ATOM 97 CG LYS A 6 27.868 31.754 29.622 1.00 0.00 C ATOM 98 CD LYS A 6 28.023 30.900 30.865 1.00 0.00 C ATOM 99 CE LYS A 6 26.764 30.354 31.533 1.00 0.00 C ATOM 100 NZ LYS A 6 27.091 29.420 32.627 1.00 0.00 N ATOM 0 H LYS A 6 26.017 30.254 26.513 1.00 0.00 H new ATOM 0 HA LYS A 6 27.293 32.764 27.242 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.130 30.906 28.683 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.601 29.991 28.421 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.850 32.101 29.299 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.281 32.640 29.865 1.00 0.00 H new ATOM 0 HD2 LYS A 6 28.657 30.051 30.608 1.00 0.00 H new ATOM 0 HD3 LYS A 6 28.564 31.488 31.606 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.172 31.181 31.925 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.149 29.845 30.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.212 29.069 33.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.635 28.619 32.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.657 29.913 33.347 1.00 0.00 H new ATOM 114 N THR A 7 29.635 32.255 26.295 1.00 0.00 N ATOM 115 CA THR A 7 31.012 31.931 25.976 1.00 0.00 C ATOM 116 C THR A 7 31.784 31.607 27.247 1.00 0.00 C ATOM 117 O THR A 7 31.308 31.735 28.375 1.00 0.00 O ATOM 118 CB THR A 7 31.609 33.091 25.179 1.00 0.00 C ATOM 119 OG1 THR A 7 31.548 34.297 25.906 1.00 0.00 O ATOM 120 CG2 THR A 7 31.089 33.184 23.738 1.00 0.00 C ATOM 0 H THR A 7 29.431 33.254 26.329 1.00 0.00 H new ATOM 0 HA THR A 7 31.072 31.037 25.356 1.00 0.00 H new ATOM 0 HB THR A 7 32.669 32.875 25.044 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.642 34.667 25.851 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.558 34.031 23.236 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.332 32.266 23.204 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.008 33.322 23.750 1.00 0.00 H new ATOM 128 N LEU A 8 32.987 31.053 27.140 1.00 0.00 N ATOM 129 CA LEU A 8 33.828 30.664 28.260 1.00 0.00 C ATOM 130 C LEU A 8 34.333 31.852 29.077 1.00 0.00 C ATOM 131 O LEU A 8 34.366 31.643 30.287 1.00 0.00 O ATOM 132 CB LEU A 8 34.999 29.865 27.695 1.00 0.00 C ATOM 133 CG LEU A 8 36.267 29.643 28.499 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.030 28.765 29.732 1.00 0.00 C ATOM 135 CD2 LEU A 8 37.311 29.150 27.502 1.00 0.00 C ATOM 0 H LEU A 8 33.417 30.856 26.236 1.00 0.00 H new ATOM 0 HA LEU A 8 33.234 30.068 28.953 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.613 28.880 27.433 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.294 30.350 26.765 1.00 0.00 H new ATOM 0 HG LEU A 8 36.640 30.557 28.961 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.968 28.636 30.273 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.298 29.242 30.383 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.656 27.791 29.418 1.00 0.00 H new ATOM 0 HD21 LEU A 8 38.253 28.970 28.020 1.00 0.00 H new ATOM 0 HD22 LEU A 8 36.967 28.223 27.043 1.00 0.00 H new ATOM 0 HD23 LEU A 8 37.460 29.904 26.729 1.00 0.00 H new ATOM 147 N THR A 9 34.528 33.026 28.477 1.00 0.00 N ATOM 148 CA THR A 9 34.828 34.350 28.978 1.00 0.00 C ATOM 149 C THR A 9 33.644 35.114 29.575 1.00 0.00 C ATOM 150 O THR A 9 33.936 35.868 30.509 1.00 0.00 O ATOM 151 CB THR A 9 35.438 35.145 27.830 1.00 0.00 C ATOM 152 OG1 THR A 9 34.666 34.880 26.673 1.00 0.00 O ATOM 153 CG2 THR A 9 36.870 34.811 27.408 1.00 0.00 C ATOM 0 H THR A 9 34.466 33.062 27.460 1.00 0.00 H new ATOM 0 HA THR A 9 35.514 34.225 29.816 1.00 0.00 H new ATOM 0 HB THR A 9 35.448 36.168 28.205 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.032 35.380 25.914 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.166 35.457 26.582 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.544 34.968 28.251 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.922 33.770 27.091 1.00 0.00 H new ATOM 161 N GLY A 10 32.421 34.794 29.162 1.00 0.00 N ATOM 162 CA GLY A 10 31.249 35.015 29.984 1.00 0.00 C ATOM 163 C GLY A 10 30.230 35.888 29.247 1.00 0.00 C ATOM 164 O GLY A 10 29.122 36.062 29.768 1.00 0.00 O ATOM 0 H GLY A 10 32.221 34.377 28.253 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.795 34.059 30.245 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.539 35.495 30.918 1.00 0.00 H new ATOM 168 N LYS A 11 30.483 36.375 28.037 1.00 0.00 N ATOM 169 CA LYS A 11 29.642 37.219 27.209 1.00 0.00 C ATOM 170 C LYS A 11 28.600 36.286 26.586 1.00 0.00 C ATOM 171 O LYS A 11 28.870 35.181 26.124 1.00 0.00 O ATOM 172 CB LYS A 11 30.486 37.902 26.127 1.00 0.00 C ATOM 173 CG LYS A 11 29.797 39.198 25.711 1.00 0.00 C ATOM 174 CD LYS A 11 30.451 39.657 24.401 1.00 0.00 C ATOM 175 CE LYS A 11 30.288 41.162 24.227 1.00 0.00 C ATOM 176 NZ LYS A 11 30.383 41.584 22.812 1.00 0.00 N ATOM 0 H LYS A 11 31.366 36.167 27.571 1.00 0.00 H new ATOM 0 HA LYS A 11 29.164 38.011 27.785 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.487 38.111 26.505 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.602 37.243 25.267 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.728 39.038 25.572 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.908 39.958 26.484 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.510 39.397 24.405 1.00 0.00 H new ATOM 0 HD3 LYS A 11 29.998 39.135 23.558 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.323 41.468 24.630 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.053 41.676 24.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.266 42.615 22.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.314 41.318 22.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.637 41.116 22.259 1.00 0.00 H new ATOM 190 N THR A 12 27.366 36.782 26.586 1.00 0.00 N ATOM 191 CA THR A 12 26.152 36.106 26.175 1.00 0.00 C ATOM 192 C THR A 12 25.930 36.439 24.704 1.00 0.00 C ATOM 193 O THR A 12 25.720 37.588 24.315 1.00 0.00 O ATOM 194 CB THR A 12 24.945 36.460 27.042 1.00 0.00 C ATOM 195 OG1 THR A 12 25.367 36.037 28.313 1.00 0.00 O ATOM 196 CG2 THR A 12 23.584 35.898 26.633 1.00 0.00 C ATOM 0 H THR A 12 27.182 37.736 26.897 1.00 0.00 H new ATOM 0 HA THR A 12 26.267 35.030 26.308 1.00 0.00 H new ATOM 0 HB THR A 12 24.709 37.521 26.960 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.661 36.218 28.969 1.00 0.00 H new ATOM 0 HG21 THR A 12 22.825 36.233 27.340 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.330 36.251 25.634 1.00 0.00 H new ATOM 0 HG23 THR A 12 23.625 34.809 26.633 1.00 0.00 H new ATOM 204 N ILE A 13 25.837 35.408 23.868 1.00 0.00 N ATOM 205 CA ILE A 13 25.740 35.441 22.420 1.00 0.00 C ATOM 206 C ILE A 13 24.321 34.964 22.081 1.00 0.00 C ATOM 207 O ILE A 13 23.853 33.895 22.471 1.00 0.00 O ATOM 208 CB ILE A 13 26.849 34.611 21.782 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.244 34.813 22.381 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.833 34.665 20.252 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.772 36.245 22.225 1.00 0.00 C ATOM 0 H ILE A 13 25.827 34.451 24.220 1.00 0.00 H new ATOM 0 HA ILE A 13 25.889 36.441 22.012 1.00 0.00 H new ATOM 0 HB ILE A 13 26.599 33.586 22.056 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.217 34.557 23.440 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.940 34.123 21.904 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.646 34.055 19.858 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.881 34.283 19.884 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.961 35.696 19.923 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.764 36.318 22.671 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.831 36.498 21.166 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.097 36.938 22.727 1.00 0.00 H new ATOM 223 N THR A 14 23.706 35.791 21.250 1.00 0.00 N ATOM 224 CA THR A 14 22.432 35.618 20.575 1.00 0.00 C ATOM 225 C THR A 14 22.642 35.068 19.165 1.00 0.00 C ATOM 226 O THR A 14 23.141 35.805 18.310 1.00 0.00 O ATOM 227 CB THR A 14 21.730 36.978 20.495 1.00 0.00 C ATOM 228 OG1 THR A 14 22.599 38.027 20.139 1.00 0.00 O ATOM 229 CG2 THR A 14 21.234 37.448 21.866 1.00 0.00 C ATOM 0 H THR A 14 24.129 36.687 21.009 1.00 0.00 H new ATOM 0 HA THR A 14 21.822 34.909 21.134 1.00 0.00 H new ATOM 0 HB THR A 14 20.940 36.805 19.765 1.00 0.00 H new ATOM 0 HG1 THR A 14 23.167 37.742 19.393 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.743 38.416 21.763 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.526 36.722 22.265 1.00 0.00 H new ATOM 0 HG23 THR A 14 22.080 37.541 22.547 1.00 0.00 H new ATOM 237 N LEU A 15 22.072 33.910 18.875 1.00 0.00 N ATOM 238 CA LEU A 15 21.985 33.288 17.560 1.00 0.00 C ATOM 239 C LEU A 15 20.494 33.337 17.223 1.00 0.00 C ATOM 240 O LEU A 15 19.642 33.086 18.061 1.00 0.00 O ATOM 241 CB LEU A 15 22.402 31.822 17.692 1.00 0.00 C ATOM 242 CG LEU A 15 23.810 31.531 18.219 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.007 30.012 18.292 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.925 32.274 17.476 1.00 0.00 C ATOM 0 H LEU A 15 21.629 33.341 19.597 1.00 0.00 H new ATOM 0 HA LEU A 15 22.611 33.774 16.812 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.688 31.327 18.350 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.307 31.356 16.711 1.00 0.00 H new ATOM 0 HG LEU A 15 23.892 31.938 19.227 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.007 29.792 18.666 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.265 29.581 18.964 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.889 29.582 17.298 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.889 32.012 17.911 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.913 31.990 16.424 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.767 33.349 17.564 1.00 0.00 H new ATOM 256 N GLU A 16 20.341 33.814 15.989 1.00 0.00 N ATOM 257 CA GLU A 16 19.104 33.574 15.280 1.00 0.00 C ATOM 258 C GLU A 16 19.253 32.359 14.365 1.00 0.00 C ATOM 259 O GLU A 16 20.219 32.273 13.614 1.00 0.00 O ATOM 260 CB GLU A 16 18.773 34.871 14.528 1.00 0.00 C ATOM 261 CG GLU A 16 19.634 35.488 13.424 1.00 0.00 C ATOM 262 CD GLU A 16 20.792 36.363 13.861 1.00 0.00 C ATOM 263 OE1 GLU A 16 21.165 36.528 15.041 1.00 0.00 O ATOM 264 OE2 GLU A 16 21.242 37.175 13.037 1.00 0.00 O ATOM 0 H GLU A 16 21.041 34.353 15.478 1.00 0.00 H new ATOM 0 HA GLU A 16 18.278 33.332 15.950 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.787 34.720 14.089 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.668 35.642 15.292 1.00 0.00 H new ATOM 0 HG2 GLU A 16 20.033 34.678 12.814 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.985 36.082 12.781 1.00 0.00 H new ATOM 271 N VAL A 17 18.489 31.302 14.636 1.00 0.00 N ATOM 272 CA VAL A 17 18.555 29.923 14.180 1.00 0.00 C ATOM 273 C VAL A 17 17.237 29.553 13.503 1.00 0.00 C ATOM 274 O VAL A 17 16.184 30.165 13.692 1.00 0.00 O ATOM 275 CB VAL A 17 18.963 29.023 15.344 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.438 29.287 15.640 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.130 28.883 16.618 1.00 0.00 C ATOM 0 H VAL A 17 17.699 31.416 15.271 1.00 0.00 H new ATOM 0 HA VAL A 17 19.324 29.783 13.421 1.00 0.00 H new ATOM 0 HB VAL A 17 18.736 28.031 14.952 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.761 28.658 16.469 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.033 29.057 14.756 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.574 30.335 15.906 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.622 28.189 17.300 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.034 29.857 17.098 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.140 28.503 16.365 1.00 0.00 H new ATOM 287 N GLU A 18 17.198 28.503 12.681 1.00 0.00 N ATOM 288 CA GLU A 18 16.003 27.820 12.239 1.00 0.00 C ATOM 289 C GLU A 18 15.434 27.042 13.423 1.00 0.00 C ATOM 290 O GLU A 18 16.167 26.547 14.276 1.00 0.00 O ATOM 291 CB GLU A 18 16.332 26.957 11.024 1.00 0.00 C ATOM 292 CG GLU A 18 16.506 27.741 9.717 1.00 0.00 C ATOM 293 CD GLU A 18 15.204 28.253 9.130 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.842 29.362 9.584 1.00 0.00 O ATOM 295 OE2 GLU A 18 14.653 27.672 8.175 1.00 0.00 O ATOM 0 H GLU A 18 18.047 28.093 12.292 1.00 0.00 H new ATOM 0 HA GLU A 18 15.231 28.515 11.910 1.00 0.00 H new ATOM 0 HB2 GLU A 18 17.248 26.402 11.225 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.538 26.223 10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.169 28.587 9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.997 27.102 8.984 1.00 0.00 H new ATOM 302 N PRO A 19 14.120 26.811 13.435 1.00 0.00 N ATOM 303 CA PRO A 19 13.505 25.973 14.440 1.00 0.00 C ATOM 304 C PRO A 19 13.848 24.497 14.254 1.00 0.00 C ATOM 305 O PRO A 19 13.886 23.759 15.236 1.00 0.00 O ATOM 306 CB PRO A 19 11.987 26.128 14.334 1.00 0.00 C ATOM 307 CG PRO A 19 11.768 26.690 12.920 1.00 0.00 C ATOM 308 CD PRO A 19 13.121 27.280 12.495 1.00 0.00 C ATOM 0 HA PRO A 19 13.881 26.287 15.414 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.478 25.173 14.467 1.00 0.00 H new ATOM 0 HB3 PRO A 19 11.601 26.804 15.097 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.449 25.907 12.232 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.990 27.453 12.918 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.373 26.968 11.481 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.080 28.369 12.492 1.00 0.00 H new ATOM 316 N SER A 20 14.304 24.059 13.084 1.00 0.00 N ATOM 317 CA SER A 20 14.741 22.706 12.763 1.00 0.00 C ATOM 318 C SER A 20 16.153 22.637 12.179 1.00 0.00 C ATOM 319 O SER A 20 16.486 21.911 11.247 1.00 0.00 O ATOM 320 CB SER A 20 13.616 21.908 12.103 1.00 0.00 C ATOM 321 OG SER A 20 13.396 22.395 10.795 1.00 0.00 O ATOM 0 H SER A 20 14.383 24.683 12.281 1.00 0.00 H new ATOM 0 HA SER A 20 14.915 22.146 13.682 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.878 20.850 12.069 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.703 21.992 12.692 1.00 0.00 H new ATOM 0 HG SER A 20 12.676 21.882 10.372 1.00 0.00 H new ATOM 327 N ASP A 21 17.004 23.509 12.702 1.00 0.00 N ATOM 328 CA ASP A 21 18.423 23.563 12.425 1.00 0.00 C ATOM 329 C ASP A 21 19.099 22.340 13.060 1.00 0.00 C ATOM 330 O ASP A 21 18.652 21.928 14.130 1.00 0.00 O ATOM 331 CB ASP A 21 19.015 24.913 12.814 1.00 0.00 C ATOM 332 CG ASP A 21 19.749 25.752 11.784 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.383 25.194 10.863 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.841 26.995 11.941 1.00 0.00 O ATOM 0 H ASP A 21 16.705 24.228 13.360 1.00 0.00 H new ATOM 0 HA ASP A 21 18.612 23.499 11.353 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.200 25.522 13.205 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.706 24.737 13.639 1.00 0.00 H new ATOM 339 N THR A 22 20.265 22.019 12.508 1.00 0.00 N ATOM 340 CA THR A 22 21.112 20.985 13.080 1.00 0.00 C ATOM 341 C THR A 22 22.223 21.622 13.915 1.00 0.00 C ATOM 342 O THR A 22 22.649 22.765 13.765 1.00 0.00 O ATOM 343 CB THR A 22 21.780 20.318 11.877 1.00 0.00 C ATOM 344 OG1 THR A 22 22.434 21.269 11.057 1.00 0.00 O ATOM 345 CG2 THR A 22 20.671 19.672 11.046 1.00 0.00 C ATOM 0 H THR A 22 20.641 22.460 11.669 1.00 0.00 H new ATOM 0 HA THR A 22 20.538 20.302 13.706 1.00 0.00 H new ATOM 0 HB THR A 22 22.517 19.597 12.231 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.853 20.813 10.297 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.107 19.183 10.175 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.146 18.933 11.652 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.968 20.438 10.719 1.00 0.00 H new ATOM 353 N ILE A 23 22.898 20.764 14.680 1.00 0.00 N ATOM 354 CA ILE A 23 23.960 21.194 15.557 1.00 0.00 C ATOM 355 C ILE A 23 25.236 21.473 14.759 1.00 0.00 C ATOM 356 O ILE A 23 26.022 22.314 15.178 1.00 0.00 O ATOM 357 CB ILE A 23 24.108 20.302 16.781 1.00 0.00 C ATOM 358 CG1 ILE A 23 22.790 20.071 17.514 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.273 20.732 17.675 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.148 21.352 18.062 1.00 0.00 C ATOM 0 H ILE A 23 22.717 19.760 14.702 1.00 0.00 H new ATOM 0 HA ILE A 23 23.694 22.153 16.001 1.00 0.00 H new ATOM 0 HB ILE A 23 24.385 19.311 16.421 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.088 19.587 16.835 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.962 19.381 18.340 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.337 20.065 18.535 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.203 20.685 17.109 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.110 21.753 18.019 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.216 21.104 18.569 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.829 21.827 18.768 1.00 0.00 H new ATOM 0 HD13 ILE A 23 21.942 22.037 17.239 1.00 0.00 H new ATOM 372 N GLU A 24 25.342 21.028 13.510 1.00 0.00 N ATOM 373 CA GLU A 24 26.416 21.294 12.566 1.00 0.00 C ATOM 374 C GLU A 24 26.482 22.763 12.144 1.00 0.00 C ATOM 375 O GLU A 24 27.449 23.491 12.330 1.00 0.00 O ATOM 376 CB GLU A 24 26.361 20.309 11.401 1.00 0.00 C ATOM 377 CG GLU A 24 27.332 20.626 10.257 1.00 0.00 C ATOM 378 CD GLU A 24 27.455 19.667 9.078 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.095 18.601 9.155 1.00 0.00 O ATOM 380 OE2 GLU A 24 27.132 20.217 8.006 1.00 0.00 O ATOM 0 H GLU A 24 24.624 20.428 13.104 1.00 0.00 H new ATOM 0 HA GLU A 24 27.366 21.122 13.072 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.575 19.308 11.777 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.346 20.290 11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.054 21.600 9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.325 20.733 10.694 1.00 0.00 H new ATOM 387 N ASN A 25 25.381 23.208 11.539 1.00 0.00 N ATOM 388 CA ASN A 25 25.216 24.561 11.066 1.00 0.00 C ATOM 389 C ASN A 25 25.200 25.644 12.141 1.00 0.00 C ATOM 390 O ASN A 25 25.685 26.746 11.888 1.00 0.00 O ATOM 391 CB ASN A 25 23.860 24.595 10.352 1.00 0.00 C ATOM 392 CG ASN A 25 23.729 25.521 9.160 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.228 26.633 9.273 1.00 0.00 O ATOM 394 ND2 ASN A 25 24.223 25.045 8.021 1.00 0.00 N ATOM 0 H ASN A 25 24.568 22.617 11.366 1.00 0.00 H new ATOM 0 HA ASN A 25 26.079 24.789 10.440 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.627 23.583 10.021 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.100 24.874 11.082 1.00 0.00 H new ATOM 0 HD21 ASN A 25 24.197 25.616 7.176 1.00 0.00 H new ATOM 0 HD22 ASN A 25 24.628 24.109 7.992 1.00 0.00 H new ATOM 401 N VAL A 26 24.717 25.350 13.344 1.00 0.00 N ATOM 402 CA VAL A 26 24.984 26.188 14.504 1.00 0.00 C ATOM 403 C VAL A 26 26.475 26.446 14.738 1.00 0.00 C ATOM 404 O VAL A 26 26.782 27.615 14.920 1.00 0.00 O ATOM 405 CB VAL A 26 24.144 25.677 15.669 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.405 26.366 17.009 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.642 25.743 15.359 1.00 0.00 C ATOM 0 H VAL A 26 24.137 24.534 13.540 1.00 0.00 H new ATOM 0 HA VAL A 26 24.653 27.213 14.338 1.00 0.00 H new ATOM 0 HB VAL A 26 24.465 24.641 15.781 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.760 25.932 17.773 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.448 26.226 17.293 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.194 27.431 16.918 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.077 25.370 16.214 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.357 26.776 15.158 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.424 25.130 14.485 1.00 0.00 H new ATOM 417 N LYS A 27 27.407 25.505 14.610 1.00 0.00 N ATOM 418 CA LYS A 27 28.845 25.651 14.744 1.00 0.00 C ATOM 419 C LYS A 27 29.348 26.743 13.803 1.00 0.00 C ATOM 420 O LYS A 27 30.143 27.592 14.209 1.00 0.00 O ATOM 421 CB LYS A 27 29.590 24.330 14.539 1.00 0.00 C ATOM 422 CG LYS A 27 29.182 23.381 15.663 1.00 0.00 C ATOM 423 CD LYS A 27 29.984 22.079 15.565 1.00 0.00 C ATOM 424 CE LYS A 27 29.436 21.010 16.501 1.00 0.00 C ATOM 425 NZ LYS A 27 30.239 19.783 16.547 1.00 0.00 N ATOM 0 H LYS A 27 27.149 24.543 14.392 1.00 0.00 H new ATOM 0 HA LYS A 27 29.057 25.953 15.769 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.343 23.900 13.568 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.668 24.494 14.551 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.356 23.853 16.630 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.115 23.167 15.600 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.959 21.712 14.539 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.028 22.275 15.808 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.367 21.424 17.507 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.422 20.756 16.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.802 19.106 17.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.285 19.362 15.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.201 20.009 16.872 1.00 0.00 H new ATOM 439 N ALA A 28 28.811 26.720 12.586 1.00 0.00 N ATOM 440 CA ALA A 28 29.149 27.616 11.501 1.00 0.00 C ATOM 441 C ALA A 28 28.657 29.040 11.771 1.00 0.00 C ATOM 442 O ALA A 28 29.294 30.048 11.477 1.00 0.00 O ATOM 443 CB ALA A 28 28.628 27.173 10.138 1.00 0.00 C ATOM 0 H ALA A 28 28.096 26.042 12.325 1.00 0.00 H new ATOM 0 HA ALA A 28 30.238 27.591 11.462 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.925 27.899 9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.046 26.198 9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.541 27.105 10.169 1.00 0.00 H new ATOM 449 N LYS A 29 27.482 29.163 12.372 1.00 0.00 N ATOM 450 CA LYS A 29 26.901 30.429 12.766 1.00 0.00 C ATOM 451 C LYS A 29 27.696 30.980 13.951 1.00 0.00 C ATOM 452 O LYS A 29 27.933 32.183 14.072 1.00 0.00 O ATOM 453 CB LYS A 29 25.417 30.308 13.138 1.00 0.00 C ATOM 454 CG LYS A 29 24.463 30.105 11.969 1.00 0.00 C ATOM 455 CD LYS A 29 22.987 29.765 12.166 1.00 0.00 C ATOM 456 CE LYS A 29 22.440 28.963 10.995 1.00 0.00 C ATOM 457 NZ LYS A 29 20.978 29.069 10.870 1.00 0.00 N ATOM 0 H LYS A 29 26.895 28.361 12.603 1.00 0.00 H new ATOM 0 HA LYS A 29 26.953 31.107 11.914 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.300 29.473 13.829 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.120 31.209 13.674 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.496 31.019 11.376 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.887 29.311 11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.863 29.196 13.088 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.412 30.684 12.279 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.906 29.310 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.715 27.915 11.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.549 28.131 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.614 29.724 11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.736 29.427 9.924 1.00 0.00 H new ATOM 471 N ILE A 30 28.281 30.186 14.836 1.00 0.00 N ATOM 472 CA ILE A 30 29.096 30.566 15.967 1.00 0.00 C ATOM 473 C ILE A 30 30.486 31.016 15.510 1.00 0.00 C ATOM 474 O ILE A 30 31.082 31.887 16.136 1.00 0.00 O ATOM 475 CB ILE A 30 28.975 29.510 17.072 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.546 29.363 17.575 1.00 0.00 C ATOM 477 CG2 ILE A 30 29.929 29.716 18.250 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.237 28.149 18.462 1.00 0.00 C ATOM 0 H ILE A 30 28.185 29.173 14.770 1.00 0.00 H new ATOM 0 HA ILE A 30 28.733 31.467 16.461 1.00 0.00 H new ATOM 0 HB ILE A 30 29.277 28.582 16.587 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.290 30.263 18.133 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.885 29.326 16.709 1.00 0.00 H new ATOM 0 HG21 ILE A 30 29.776 28.925 18.984 1.00 0.00 H new ATOM 0 HG22 ILE A 30 30.959 29.686 17.894 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.733 30.683 18.712 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.186 28.167 18.749 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.447 27.233 17.911 1.00 0.00 H new ATOM 0 HD13 ILE A 30 27.858 28.185 19.357 1.00 0.00 H new ATOM 490 N GLN A 31 31.038 30.452 14.437 1.00 0.00 N ATOM 491 CA GLN A 31 32.230 30.790 13.708 1.00 0.00 C ATOM 492 C GLN A 31 32.019 32.178 13.090 1.00 0.00 C ATOM 493 O GLN A 31 32.868 33.058 13.214 1.00 0.00 O ATOM 494 CB GLN A 31 32.464 29.786 12.569 1.00 0.00 C ATOM 495 CG GLN A 31 33.711 30.022 11.712 1.00 0.00 C ATOM 496 CD GLN A 31 34.014 28.946 10.686 1.00 0.00 C ATOM 497 OE1 GLN A 31 35.189 28.669 10.455 1.00 0.00 O ATOM 498 NE2 GLN A 31 33.022 28.259 10.113 1.00 0.00 N ATOM 0 H GLN A 31 30.588 29.640 14.014 1.00 0.00 H new ATOM 0 HA GLN A 31 33.088 30.773 14.380 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.527 28.787 12.999 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.591 29.797 11.916 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.598 30.973 11.192 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.572 30.121 12.374 1.00 0.00 H new ATOM 0 HE21 GLN A 31 32.052 28.500 10.314 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.235 27.493 9.474 1.00 0.00 H new ATOM 507 N ASP A 32 30.928 32.335 12.362 1.00 0.00 N ATOM 508 CA ASP A 32 30.583 33.643 11.836 1.00 0.00 C ATOM 509 C ASP A 32 30.455 34.815 12.806 1.00 0.00 C ATOM 510 O ASP A 32 30.964 35.914 12.604 1.00 0.00 O ATOM 511 CB ASP A 32 29.358 33.496 10.932 1.00 0.00 C ATOM 512 CG ASP A 32 28.817 34.751 10.262 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.645 35.298 9.514 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.607 35.055 10.350 1.00 0.00 O ATOM 0 H ASP A 32 30.276 31.587 12.125 1.00 0.00 H new ATOM 0 HA ASP A 32 31.467 33.957 11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.603 32.778 10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.554 33.060 11.525 1.00 0.00 H new ATOM 519 N LYS A 33 29.662 34.628 13.862 1.00 0.00 N ATOM 520 CA LYS A 33 29.414 35.558 14.939 1.00 0.00 C ATOM 521 C LYS A 33 30.671 35.796 15.773 1.00 0.00 C ATOM 522 O LYS A 33 30.850 36.963 16.127 1.00 0.00 O ATOM 523 CB LYS A 33 28.218 35.082 15.773 1.00 0.00 C ATOM 524 CG LYS A 33 26.932 35.215 14.965 1.00 0.00 C ATOM 525 CD LYS A 33 26.169 36.538 15.076 1.00 0.00 C ATOM 526 CE LYS A 33 24.673 36.221 14.933 1.00 0.00 C ATOM 527 NZ LYS A 33 23.744 37.354 14.919 1.00 0.00 N ATOM 0 H LYS A 33 29.145 33.758 13.986 1.00 0.00 H new ATOM 0 HA LYS A 33 29.152 36.530 14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.363 34.044 16.072 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.145 35.670 16.688 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.175 35.052 13.915 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.260 34.411 15.265 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.370 37.017 16.034 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.490 37.232 14.299 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.534 35.660 14.009 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.388 35.561 15.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.785 37.019 15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.039 38.054 15.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.748 37.794 13.977 1.00 0.00 H new ATOM 541 N GLU A 34 31.476 34.802 16.146 1.00 0.00 N ATOM 542 CA GLU A 34 32.506 34.949 17.152 1.00 0.00 C ATOM 543 C GLU A 34 33.910 34.471 16.763 1.00 0.00 C ATOM 544 O GLU A 34 34.809 34.892 17.482 1.00 0.00 O ATOM 545 CB GLU A 34 31.963 34.524 18.521 1.00 0.00 C ATOM 546 CG GLU A 34 30.869 35.349 19.201 1.00 0.00 C ATOM 547 CD GLU A 34 31.484 36.656 19.685 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.617 36.592 20.207 1.00 0.00 O ATOM 549 OE2 GLU A 34 30.781 37.683 19.654 1.00 0.00 O ATOM 0 H GLU A 34 31.424 33.864 15.748 1.00 0.00 H new ATOM 0 HA GLU A 34 32.737 36.011 17.238 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.585 33.507 18.418 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.810 34.481 19.206 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.055 35.548 18.504 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.443 34.797 20.039 1.00 0.00 H new ATOM 556 N GLY A 35 34.069 33.681 15.710 1.00 0.00 N ATOM 557 CA GLY A 35 35.294 33.549 14.943 1.00 0.00 C ATOM 558 C GLY A 35 35.777 32.099 14.911 1.00 0.00 C ATOM 559 O GLY A 35 36.669 31.733 14.142 1.00 0.00 O ATOM 0 H GLY A 35 33.316 33.092 15.355 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.128 33.901 13.925 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.067 34.182 15.377 1.00 0.00 H new ATOM 563 N ILE A 36 35.345 31.315 15.892 1.00 0.00 N ATOM 564 CA ILE A 36 35.917 30.049 16.293 1.00 0.00 C ATOM 565 C ILE A 36 35.567 28.998 15.242 1.00 0.00 C ATOM 566 O ILE A 36 34.382 28.730 15.021 1.00 0.00 O ATOM 567 CB ILE A 36 35.368 29.681 17.677 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.431 30.816 18.703 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.098 28.474 18.263 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.858 30.461 20.073 1.00 0.00 C ATOM 0 H ILE A 36 34.536 31.568 16.459 1.00 0.00 H new ATOM 0 HA ILE A 36 37.003 30.107 16.363 1.00 0.00 H new ATOM 0 HB ILE A 36 34.318 29.452 17.496 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.470 31.121 18.825 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.890 31.676 18.308 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.685 28.240 19.244 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.972 27.616 17.602 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.159 28.703 18.362 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.943 31.321 20.737 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.809 30.186 19.968 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.413 29.622 20.493 1.00 0.00 H new ATOM 582 N PRO A 37 36.520 28.294 14.656 1.00 0.00 N ATOM 583 CA PRO A 37 36.229 27.194 13.764 1.00 0.00 C ATOM 584 C PRO A 37 35.656 26.018 14.566 1.00 0.00 C ATOM 585 O PRO A 37 35.869 26.038 15.774 1.00 0.00 O ATOM 586 CB PRO A 37 37.544 26.880 13.048 1.00 0.00 C ATOM 587 CG PRO A 37 38.594 27.489 13.966 1.00 0.00 C ATOM 588 CD PRO A 37 37.933 28.573 14.824 1.00 0.00 C ATOM 0 HA PRO A 37 35.467 27.428 13.020 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.690 25.807 12.926 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.575 27.321 12.052 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.031 26.719 14.602 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.406 27.916 13.378 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.238 28.505 15.868 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.192 29.575 14.481 1.00 0.00 H new ATOM 596 N PRO A 38 34.921 25.119 13.922 1.00 0.00 N ATOM 597 CA PRO A 38 34.120 24.100 14.559 1.00 0.00 C ATOM 598 C PRO A 38 34.998 23.032 15.213 1.00 0.00 C ATOM 599 O PRO A 38 34.638 22.599 16.307 1.00 0.00 O ATOM 600 CB PRO A 38 33.279 23.532 13.412 1.00 0.00 C ATOM 601 CG PRO A 38 34.148 23.641 12.157 1.00 0.00 C ATOM 602 CD PRO A 38 34.861 24.959 12.478 1.00 0.00 C ATOM 0 HA PRO A 38 33.503 24.487 15.370 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.003 22.496 13.607 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.351 24.092 13.294 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.838 22.804 12.048 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.560 23.692 11.240 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.866 24.957 12.056 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.328 25.796 12.027 1.00 0.00 H new ATOM 610 N ASP A 39 36.203 22.755 14.720 1.00 0.00 N ATOM 611 CA ASP A 39 37.323 22.141 15.385 1.00 0.00 C ATOM 612 C ASP A 39 37.602 22.548 16.831 1.00 0.00 C ATOM 613 O ASP A 39 37.548 21.816 17.815 1.00 0.00 O ATOM 614 CB ASP A 39 38.491 22.218 14.391 1.00 0.00 C ATOM 615 CG ASP A 39 39.836 21.944 15.051 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.842 20.900 15.729 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.760 22.786 15.036 1.00 0.00 O ATOM 0 H ASP A 39 36.429 22.981 13.751 1.00 0.00 H new ATOM 0 HA ASP A 39 37.091 21.101 15.613 1.00 0.00 H new ATOM 0 HB2 ASP A 39 38.330 21.498 13.589 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.509 23.207 13.932 1.00 0.00 H new ATOM 622 N GLN A 40 37.752 23.864 16.953 1.00 0.00 N ATOM 623 CA GLN A 40 38.124 24.391 18.255 1.00 0.00 C ATOM 624 C GLN A 40 36.911 24.528 19.176 1.00 0.00 C ATOM 625 O GLN A 40 37.150 24.971 20.299 1.00 0.00 O ATOM 626 CB GLN A 40 38.850 25.728 18.130 1.00 0.00 C ATOM 627 CG GLN A 40 40.225 25.657 17.454 1.00 0.00 C ATOM 628 CD GLN A 40 40.815 27.039 17.238 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.374 27.969 17.915 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.705 27.160 16.261 1.00 0.00 N ATOM 0 H GLN A 40 37.629 24.550 16.209 1.00 0.00 H new ATOM 0 HA GLN A 40 38.809 23.671 18.703 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.220 26.416 17.566 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.973 26.152 19.126 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.902 25.064 18.068 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.134 25.146 16.495 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.017 26.334 15.750 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.077 28.079 16.021 1.00 0.00 H new ATOM 639 N GLN A 41 35.654 24.327 18.791 1.00 0.00 N ATOM 640 CA GLN A 41 34.525 24.358 19.700 1.00 0.00 C ATOM 641 C GLN A 41 34.206 23.006 20.336 1.00 0.00 C ATOM 642 O GLN A 41 34.519 21.926 19.824 1.00 0.00 O ATOM 643 CB GLN A 41 33.291 24.780 18.908 1.00 0.00 C ATOM 644 CG GLN A 41 33.281 26.089 18.129 1.00 0.00 C ATOM 645 CD GLN A 41 32.070 26.361 17.246 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.042 25.765 17.545 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.142 27.255 16.265 1.00 0.00 N ATOM 0 H GLN A 41 35.393 24.136 17.824 1.00 0.00 H new ATOM 0 HA GLN A 41 34.787 25.049 20.501 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.076 23.982 18.198 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.457 24.816 19.608 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.370 26.908 18.843 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.171 26.115 17.500 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.027 27.720 16.062 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.312 27.476 15.715 1.00 0.00 H new ATOM 656 N ARG A 42 33.374 23.016 21.367 1.00 0.00 N ATOM 657 CA ARG A 42 32.665 21.893 21.959 1.00 0.00 C ATOM 658 C ARG A 42 31.408 22.430 22.647 1.00 0.00 C ATOM 659 O ARG A 42 31.493 23.313 23.487 1.00 0.00 O ATOM 660 CB ARG A 42 33.552 20.881 22.690 1.00 0.00 C ATOM 661 CG ARG A 42 34.578 21.626 23.547 1.00 0.00 C ATOM 662 CD ARG A 42 35.154 20.845 24.732 1.00 0.00 C ATOM 663 NE ARG A 42 36.508 21.234 25.130 1.00 0.00 N ATOM 664 CZ ARG A 42 37.066 21.250 26.348 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.431 20.919 27.473 1.00 0.00 N ATOM 666 NH2 ARG A 42 38.353 21.621 26.504 1.00 0.00 N ATOM 0 H ARG A 42 33.160 23.887 21.853 1.00 0.00 H new ATOM 0 HA ARG A 42 32.302 21.210 21.191 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.941 20.232 23.318 1.00 0.00 H new ATOM 0 HB3 ARG A 42 34.061 20.240 21.970 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.403 21.935 22.905 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.113 22.535 23.928 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.490 20.970 25.587 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.156 19.784 24.482 1.00 0.00 H new ATOM 0 HE ARG A 42 37.115 21.537 24.369 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.454 20.629 27.441 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.923 20.956 28.366 1.00 0.00 H new ATOM 0 HH21 ARG A 42 38.908 21.892 25.692 1.00 0.00 H new ATOM 0 HH22 ARG A 42 38.772 21.631 27.434 1.00 0.00 H new ATOM 680 N LEU A 43 30.219 21.888 22.393 1.00 0.00 N ATOM 681 CA LEU A 43 28.931 22.162 22.995 1.00 0.00 C ATOM 682 C LEU A 43 28.575 21.059 23.997 1.00 0.00 C ATOM 683 O LEU A 43 27.847 20.133 23.653 1.00 0.00 O ATOM 684 CB LEU A 43 27.924 22.362 21.864 1.00 0.00 C ATOM 685 CG LEU A 43 28.046 23.679 21.110 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.548 23.830 19.672 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.585 24.814 22.029 1.00 0.00 C ATOM 0 H LEU A 43 30.134 21.165 21.678 1.00 0.00 H new ATOM 0 HA LEU A 43 28.933 23.078 23.586 1.00 0.00 H new ATOM 0 HB2 LEU A 43 28.034 21.543 21.153 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.918 22.291 22.278 1.00 0.00 H new ATOM 0 HG LEU A 43 29.110 23.717 20.877 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.733 24.848 19.328 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.077 23.128 19.028 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.479 23.622 19.634 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.667 25.765 21.502 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.548 24.648 22.320 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.212 24.838 22.920 1.00 0.00 H new ATOM 699 N ILE A 44 28.976 21.350 25.232 1.00 0.00 N ATOM 700 CA ILE A 44 28.845 20.445 26.354 1.00 0.00 C ATOM 701 C ILE A 44 27.545 20.864 27.059 1.00 0.00 C ATOM 702 O ILE A 44 27.501 22.007 27.491 1.00 0.00 O ATOM 703 CB ILE A 44 29.999 20.693 27.314 1.00 0.00 C ATOM 704 CG1 ILE A 44 31.381 20.520 26.679 1.00 0.00 C ATOM 705 CG2 ILE A 44 30.021 19.873 28.604 1.00 0.00 C ATOM 706 CD1 ILE A 44 31.632 19.305 25.780 1.00 0.00 C ATOM 0 H ILE A 44 29.408 22.240 25.478 1.00 0.00 H new ATOM 0 HA ILE A 44 28.842 19.400 26.044 1.00 0.00 H new ATOM 0 HB ILE A 44 29.796 21.732 27.572 1.00 0.00 H new ATOM 0 HG12 ILE A 44 31.589 21.414 26.091 1.00 0.00 H new ATOM 0 HG13 ILE A 44 32.114 20.491 27.485 1.00 0.00 H new ATOM 0 HG21 ILE A 44 30.894 20.148 29.195 1.00 0.00 H new ATOM 0 HG22 ILE A 44 29.116 20.073 29.178 1.00 0.00 H new ATOM 0 HG23 ILE A 44 30.068 18.812 28.360 1.00 0.00 H new ATOM 0 HD11 ILE A 44 32.657 19.331 25.411 1.00 0.00 H new ATOM 0 HD12 ILE A 44 31.475 18.391 26.352 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.942 19.328 24.936 1.00 0.00 H new ATOM 718 N PHE A 45 26.530 20.029 27.221 1.00 0.00 N ATOM 719 CA PHE A 45 25.206 20.255 27.786 1.00 0.00 C ATOM 720 C PHE A 45 24.902 19.158 28.815 1.00 0.00 C ATOM 721 O PHE A 45 24.809 17.973 28.495 1.00 0.00 O ATOM 722 CB PHE A 45 24.210 20.279 26.624 1.00 0.00 C ATOM 723 CG PHE A 45 22.775 20.548 27.003 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.319 21.880 27.048 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.843 19.515 26.981 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.955 22.183 27.111 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.486 19.793 27.207 1.00 0.00 C ATOM 728 CZ PHE A 45 20.047 21.129 27.220 1.00 0.00 C ATOM 0 H PHE A 45 26.626 19.058 26.923 1.00 0.00 H new ATOM 0 HA PHE A 45 25.139 21.205 28.316 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.528 21.040 25.912 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.257 19.320 26.108 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.039 22.685 27.034 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.163 18.501 26.790 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.613 23.207 27.076 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.785 18.988 27.370 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.993 21.342 27.316 1.00 0.00 H new ATOM 738 N ALA A 46 24.761 19.624 30.049 1.00 0.00 N ATOM 739 CA ALA A 46 24.544 18.883 31.272 1.00 0.00 C ATOM 740 C ALA A 46 25.492 17.685 31.409 1.00 0.00 C ATOM 741 O ALA A 46 25.121 16.610 31.869 1.00 0.00 O ATOM 742 CB ALA A 46 23.077 18.460 31.431 1.00 0.00 C ATOM 0 H ALA A 46 24.800 20.627 30.229 1.00 0.00 H new ATOM 0 HA ALA A 46 24.779 19.565 32.089 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.957 17.906 32.362 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.443 19.346 31.452 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.788 17.827 30.592 1.00 0.00 H new ATOM 748 N GLY A 47 26.765 17.875 31.065 1.00 0.00 N ATOM 749 CA GLY A 47 27.857 16.973 31.380 1.00 0.00 C ATOM 750 C GLY A 47 28.288 16.071 30.224 1.00 0.00 C ATOM 751 O GLY A 47 29.199 15.261 30.340 1.00 0.00 O ATOM 0 H GLY A 47 27.069 18.695 30.539 1.00 0.00 H new ATOM 0 HA2 GLY A 47 28.715 17.561 31.704 1.00 0.00 H new ATOM 0 HA3 GLY A 47 27.563 16.347 32.222 1.00 0.00 H new ATOM 755 N LYS A 48 27.577 16.186 29.108 1.00 0.00 N ATOM 756 CA LYS A 48 27.825 15.410 27.911 1.00 0.00 C ATOM 757 C LYS A 48 27.835 16.313 26.669 1.00 0.00 C ATOM 758 O LYS A 48 27.211 17.366 26.647 1.00 0.00 O ATOM 759 CB LYS A 48 26.663 14.414 27.855 1.00 0.00 C ATOM 760 CG LYS A 48 26.442 13.578 29.116 1.00 0.00 C ATOM 761 CD LYS A 48 25.309 12.628 28.732 1.00 0.00 C ATOM 762 CE LYS A 48 24.930 11.719 29.906 1.00 0.00 C ATOM 763 NZ LYS A 48 23.687 10.952 29.742 1.00 0.00 N ATOM 0 H LYS A 48 26.797 16.837 29.014 1.00 0.00 H new ATOM 0 HA LYS A 48 28.795 14.913 27.931 1.00 0.00 H new ATOM 0 HB2 LYS A 48 25.747 14.965 27.642 1.00 0.00 H new ATOM 0 HB3 LYS A 48 26.830 13.737 27.017 1.00 0.00 H new ATOM 0 HG2 LYS A 48 27.343 13.033 29.397 1.00 0.00 H new ATOM 0 HG3 LYS A 48 26.169 14.202 29.967 1.00 0.00 H new ATOM 0 HD2 LYS A 48 24.438 13.204 28.418 1.00 0.00 H new ATOM 0 HD3 LYS A 48 25.613 12.020 27.880 1.00 0.00 H new ATOM 0 HE2 LYS A 48 25.747 11.019 30.078 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.841 12.332 30.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.523 10.372 30.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.890 11.607 29.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.768 10.334 28.909 1.00 0.00 H new ATOM 777 N GLN A 49 28.455 15.900 25.569 1.00 0.00 N ATOM 778 CA GLN A 49 28.443 16.577 24.290 1.00 0.00 C ATOM 779 C GLN A 49 27.173 16.360 23.461 1.00 0.00 C ATOM 780 O GLN A 49 26.699 15.283 23.112 1.00 0.00 O ATOM 781 CB GLN A 49 29.641 15.938 23.572 1.00 0.00 C ATOM 782 CG GLN A 49 30.013 16.316 22.139 1.00 0.00 C ATOM 783 CD GLN A 49 31.512 16.150 21.967 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.246 16.862 22.657 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.996 15.249 21.113 1.00 0.00 N ATOM 0 H GLN A 49 29.005 15.041 25.551 1.00 0.00 H new ATOM 0 HA GLN A 49 28.486 17.658 24.422 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.519 16.133 24.188 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.477 14.860 23.582 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.479 15.683 21.430 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.720 17.345 21.931 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.358 14.678 20.559 1.00 0.00 H new ATOM 0 HE22 GLN A 49 33.004 15.131 21.014 1.00 0.00 H new ATOM 794 N LEU A 50 26.598 17.453 22.977 1.00 0.00 N ATOM 795 CA LEU A 50 25.619 17.486 21.905 1.00 0.00 C ATOM 796 C LEU A 50 26.286 17.120 20.581 1.00 0.00 C ATOM 797 O LEU A 50 27.364 17.652 20.288 1.00 0.00 O ATOM 798 CB LEU A 50 25.118 18.915 21.662 1.00 0.00 C ATOM 799 CG LEU A 50 24.477 19.553 22.894 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.894 20.933 22.564 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.368 18.641 23.416 1.00 0.00 C ATOM 0 H LEU A 50 26.813 18.382 23.339 1.00 0.00 H new ATOM 0 HA LEU A 50 24.820 16.804 22.198 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.954 19.534 21.335 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.392 18.904 20.849 1.00 0.00 H new ATOM 0 HG LEU A 50 25.246 19.682 23.655 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.445 21.362 23.460 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.689 21.588 22.207 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.133 20.831 21.790 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.909 19.093 24.295 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.613 18.506 22.641 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.790 17.672 23.685 1.00 0.00 H new ATOM 813 N GLU A 51 25.789 16.176 19.795 1.00 0.00 N ATOM 814 CA GLU A 51 26.423 15.615 18.614 1.00 0.00 C ATOM 815 C GLU A 51 25.650 15.857 17.316 1.00 0.00 C ATOM 816 O GLU A 51 24.537 16.352 17.427 1.00 0.00 O ATOM 817 CB GLU A 51 26.655 14.154 18.971 1.00 0.00 C ATOM 818 CG GLU A 51 28.113 13.938 19.369 1.00 0.00 C ATOM 819 CD GLU A 51 29.171 14.263 18.314 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.930 14.437 17.100 1.00 0.00 O ATOM 821 OE2 GLU A 51 30.297 14.387 18.831 1.00 0.00 O ATOM 0 H GLU A 51 24.877 15.757 19.977 1.00 0.00 H new ATOM 0 HA GLU A 51 27.364 16.111 18.377 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.999 13.863 19.791 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.404 13.519 18.121 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.317 14.543 20.252 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.234 12.895 19.662 1.00 0.00 H new ATOM 828 N ASP A 52 26.171 15.351 16.206 1.00 0.00 N ATOM 829 CA ASP A 52 25.654 15.118 14.873 1.00 0.00 C ATOM 830 C ASP A 52 24.372 14.286 14.866 1.00 0.00 C ATOM 831 O ASP A 52 24.233 13.231 15.480 1.00 0.00 O ATOM 832 CB ASP A 52 26.611 14.351 13.961 1.00 0.00 C ATOM 833 CG ASP A 52 27.625 15.113 13.122 1.00 0.00 C ATOM 834 OD1 ASP A 52 27.125 15.781 12.188 1.00 0.00 O ATOM 835 OD2 ASP A 52 28.849 14.910 13.264 1.00 0.00 O ATOM 0 H ASP A 52 27.143 15.042 16.237 1.00 0.00 H new ATOM 0 HA ASP A 52 25.489 16.132 14.508 1.00 0.00 H new ATOM 0 HB2 ASP A 52 27.166 13.651 14.586 1.00 0.00 H new ATOM 0 HB3 ASP A 52 26.004 13.757 13.278 1.00 0.00 H new ATOM 840 N GLY A 53 23.331 14.755 14.168 1.00 0.00 N ATOM 841 CA GLY A 53 22.315 13.925 13.555 1.00 0.00 C ATOM 842 C GLY A 53 20.948 14.203 14.179 1.00 0.00 C ATOM 843 O GLY A 53 19.924 13.993 13.527 1.00 0.00 O ATOM 0 H GLY A 53 23.178 15.752 14.016 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.278 14.118 12.483 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.572 12.873 13.681 1.00 0.00 H new ATOM 847 N ARG A 54 20.866 14.623 15.436 1.00 0.00 N ATOM 848 CA ARG A 54 19.679 15.095 16.120 1.00 0.00 C ATOM 849 C ARG A 54 19.714 16.623 16.058 1.00 0.00 C ATOM 850 O ARG A 54 20.757 17.208 16.325 1.00 0.00 O ATOM 851 CB ARG A 54 19.858 14.702 17.590 1.00 0.00 C ATOM 852 CG ARG A 54 19.848 13.215 17.921 1.00 0.00 C ATOM 853 CD ARG A 54 20.282 12.862 19.348 1.00 0.00 C ATOM 854 NE ARG A 54 20.156 11.418 19.566 1.00 0.00 N ATOM 855 CZ ARG A 54 20.887 10.402 19.082 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.873 10.606 18.191 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.645 9.130 19.409 1.00 0.00 N ATOM 0 H ARG A 54 21.687 14.642 16.042 1.00 0.00 H new ATOM 0 HA ARG A 54 18.760 14.696 15.692 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.803 15.119 17.938 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.067 15.181 18.166 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.841 12.830 17.758 1.00 0.00 H new ATOM 0 HG3 ARG A 54 20.504 12.699 17.220 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.313 13.174 19.511 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.668 13.402 20.068 1.00 0.00 H new ATOM 0 HE ARG A 54 19.392 11.142 20.183 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.080 11.551 17.867 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.414 9.816 17.839 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.882 8.904 20.047 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.223 8.385 19.020 1.00 0.00 H new ATOM 871 N THR A 55 18.632 17.186 15.521 1.00 0.00 N ATOM 872 CA THR A 55 18.353 18.613 15.542 1.00 0.00 C ATOM 873 C THR A 55 18.177 19.206 16.937 1.00 0.00 C ATOM 874 O THR A 55 18.023 18.451 17.900 1.00 0.00 O ATOM 875 CB THR A 55 17.194 18.920 14.604 1.00 0.00 C ATOM 876 OG1 THR A 55 16.070 18.291 15.167 1.00 0.00 O ATOM 877 CG2 THR A 55 17.316 18.469 13.147 1.00 0.00 C ATOM 0 H THR A 55 17.909 16.644 15.048 1.00 0.00 H new ATOM 0 HA THR A 55 19.244 19.122 15.173 1.00 0.00 H new ATOM 0 HB THR A 55 17.146 20.006 14.530 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.286 18.456 14.603 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.417 18.756 12.601 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.185 18.944 12.691 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.433 17.386 13.110 1.00 0.00 H new ATOM 885 N LEU A 56 18.033 20.526 17.058 1.00 0.00 N ATOM 886 CA LEU A 56 17.787 21.240 18.295 1.00 0.00 C ATOM 887 C LEU A 56 16.776 20.596 19.245 1.00 0.00 C ATOM 888 O LEU A 56 17.057 20.318 20.405 1.00 0.00 O ATOM 889 CB LEU A 56 17.504 22.698 17.920 1.00 0.00 C ATOM 890 CG LEU A 56 18.673 23.559 17.442 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.319 24.682 16.470 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.599 24.132 18.522 1.00 0.00 C ATOM 0 H LEU A 56 18.089 21.149 16.253 1.00 0.00 H new ATOM 0 HA LEU A 56 18.677 21.190 18.923 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.747 22.700 17.136 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.064 23.186 18.789 1.00 0.00 H new ATOM 0 HG LEU A 56 19.227 22.789 16.905 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.223 25.227 16.198 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.867 24.258 15.573 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.613 25.364 16.944 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.385 24.722 18.051 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.023 24.766 19.196 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.048 23.315 19.087 1.00 0.00 H new ATOM 904 N SER A 57 15.589 20.308 18.706 1.00 0.00 N ATOM 905 CA SER A 57 14.438 19.819 19.437 1.00 0.00 C ATOM 906 C SER A 57 14.708 18.434 20.031 1.00 0.00 C ATOM 907 O SER A 57 14.295 18.184 21.166 1.00 0.00 O ATOM 908 CB SER A 57 13.144 19.851 18.608 1.00 0.00 C ATOM 909 OG SER A 57 11.984 19.666 19.374 1.00 0.00 O ATOM 0 H SER A 57 15.405 20.416 17.709 1.00 0.00 H new ATOM 0 HA SER A 57 14.275 20.509 20.265 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.078 20.807 18.089 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.192 19.076 17.843 1.00 0.00 H new ATOM 0 HG SER A 57 11.198 19.698 18.790 1.00 0.00 H new ATOM 915 N ASP A 58 15.540 17.584 19.441 1.00 0.00 N ATOM 916 CA ASP A 58 15.755 16.243 19.929 1.00 0.00 C ATOM 917 C ASP A 58 16.929 16.218 20.918 1.00 0.00 C ATOM 918 O ASP A 58 17.172 15.141 21.462 1.00 0.00 O ATOM 919 CB ASP A 58 16.141 15.358 18.750 1.00 0.00 C ATOM 920 CG ASP A 58 14.964 14.842 17.933 1.00 0.00 C ATOM 921 OD1 ASP A 58 13.862 14.718 18.512 1.00 0.00 O ATOM 922 OD2 ASP A 58 15.143 14.310 16.812 1.00 0.00 O ATOM 0 H ASP A 58 16.082 17.814 18.608 1.00 0.00 H new ATOM 0 HA ASP A 58 14.845 15.895 20.419 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.804 15.920 18.092 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.709 14.506 19.123 1.00 0.00 H new ATOM 927 N TYR A 59 17.595 17.307 21.278 1.00 0.00 N ATOM 928 CA TYR A 59 18.355 17.485 22.503 1.00 0.00 C ATOM 929 C TYR A 59 17.536 18.318 23.494 1.00 0.00 C ATOM 930 O TYR A 59 18.108 18.819 24.452 1.00 0.00 O ATOM 931 CB TYR A 59 19.577 18.287 22.082 1.00 0.00 C ATOM 932 CG TYR A 59 20.632 17.373 21.514 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.019 16.259 22.283 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.235 17.581 20.270 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.146 15.518 21.900 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.162 16.670 19.747 1.00 0.00 C ATOM 937 CZ TYR A 59 22.595 15.624 20.578 1.00 0.00 C ATOM 938 OH TYR A 59 23.463 14.642 20.204 1.00 0.00 O ATOM 0 H TYR A 59 17.619 18.137 20.686 1.00 0.00 H new ATOM 0 HA TYR A 59 18.609 16.537 22.976 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.293 19.032 21.339 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.978 18.828 22.939 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.453 15.978 23.159 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.981 18.463 19.700 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.656 14.881 22.608 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.532 16.769 18.737 1.00 0.00 H new ATOM 0 HH TYR A 59 23.547 14.634 19.228 1.00 0.00 H new ATOM 948 N ASN A 60 16.228 18.362 23.288 1.00 0.00 N ATOM 949 CA ASN A 60 15.288 19.146 24.069 1.00 0.00 C ATOM 950 C ASN A 60 15.506 20.659 24.109 1.00 0.00 C ATOM 951 O ASN A 60 14.985 21.333 25.002 1.00 0.00 O ATOM 952 CB ASN A 60 14.929 18.562 25.438 1.00 0.00 C ATOM 953 CG ASN A 60 15.988 18.472 26.523 1.00 0.00 C ATOM 954 OD1 ASN A 60 16.540 19.451 27.035 1.00 0.00 O ATOM 955 ND2 ASN A 60 16.382 17.291 26.988 1.00 0.00 N ATOM 0 H ASN A 60 15.777 17.831 22.543 1.00 0.00 H new ATOM 0 HA ASN A 60 14.395 19.037 23.454 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.104 19.153 25.837 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.548 17.554 25.272 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.093 17.242 27.717 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.973 16.434 26.616 1.00 0.00 H new ATOM 962 N ILE A 61 16.194 21.294 23.162 1.00 0.00 N ATOM 963 CA ILE A 61 16.406 22.730 23.121 1.00 0.00 C ATOM 964 C ILE A 61 15.155 23.459 22.666 1.00 0.00 C ATOM 965 O ILE A 61 14.594 23.181 21.600 1.00 0.00 O ATOM 966 CB ILE A 61 17.598 23.049 22.220 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.771 22.381 22.962 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.925 24.531 22.056 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.940 22.114 22.018 1.00 0.00 C ATOM 0 H ILE A 61 16.630 20.804 22.381 1.00 0.00 H new ATOM 0 HA ILE A 61 16.628 23.081 24.129 1.00 0.00 H new ATOM 0 HB ILE A 61 17.392 22.704 21.207 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.100 23.022 23.780 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.437 21.443 23.406 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.787 24.643 21.398 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.068 25.047 21.623 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.154 24.963 23.030 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.753 21.642 22.570 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.615 21.453 21.215 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.288 23.056 21.594 1.00 0.00 H new ATOM 981 N GLN A 62 14.707 24.384 23.512 1.00 0.00 N ATOM 982 CA GLN A 62 13.450 25.076 23.298 1.00 0.00 C ATOM 983 C GLN A 62 13.773 26.508 22.857 1.00 0.00 C ATOM 984 O GLN A 62 14.916 26.863 22.573 1.00 0.00 O ATOM 985 CB GLN A 62 12.625 25.243 24.573 1.00 0.00 C ATOM 986 CG GLN A 62 12.265 23.964 25.335 1.00 0.00 C ATOM 987 CD GLN A 62 11.520 22.900 24.532 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.608 23.205 23.774 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.941 21.638 24.561 1.00 0.00 N ATOM 0 H GLN A 62 15.204 24.669 24.356 1.00 0.00 H new ATOM 0 HA GLN A 62 12.890 24.485 22.574 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.174 25.898 25.249 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.699 25.756 24.314 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.184 23.523 25.722 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.655 24.236 26.196 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.700 21.368 25.187 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.505 20.941 23.957 1.00 0.00 H new ATOM 998 N LYS A 63 12.728 27.304 22.698 1.00 0.00 N ATOM 999 CA LYS A 63 12.778 28.702 22.329 1.00 0.00 C ATOM 1000 C LYS A 63 13.408 29.483 23.492 1.00 0.00 C ATOM 1001 O LYS A 63 12.810 29.501 24.564 1.00 0.00 O ATOM 1002 CB LYS A 63 11.368 29.148 21.933 1.00 0.00 C ATOM 1003 CG LYS A 63 11.304 30.626 21.544 1.00 0.00 C ATOM 1004 CD LYS A 63 9.847 30.996 21.308 1.00 0.00 C ATOM 1005 CE LYS A 63 9.651 32.455 20.889 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.827 33.410 21.996 1.00 0.00 N ATOM 0 H LYS A 63 11.773 26.971 22.831 1.00 0.00 H new ATOM 0 HA LYS A 63 13.407 28.894 21.460 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.021 28.541 21.097 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.687 28.965 22.764 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.730 31.245 22.334 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.892 30.808 20.645 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.435 30.346 20.536 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.280 30.808 22.220 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.359 32.696 20.095 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.651 32.574 20.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.698 34.379 21.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.124 33.215 22.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.784 33.311 22.391 1.00 0.00 H new ATOM 1020 N GLU A 64 14.464 30.224 23.169 1.00 0.00 N ATOM 1021 CA GLU A 64 15.214 31.081 24.055 1.00 0.00 C ATOM 1022 C GLU A 64 16.038 30.329 25.097 1.00 0.00 C ATOM 1023 O GLU A 64 16.323 30.905 26.147 1.00 0.00 O ATOM 1024 CB GLU A 64 14.332 32.204 24.628 1.00 0.00 C ATOM 1025 CG GLU A 64 14.302 33.529 23.877 1.00 0.00 C ATOM 1026 CD GLU A 64 13.176 33.778 22.871 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.021 33.594 23.313 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.348 34.226 21.717 1.00 0.00 O ATOM 0 H GLU A 64 14.835 30.236 22.219 1.00 0.00 H new ATOM 0 HA GLU A 64 15.975 31.572 23.448 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.310 31.830 24.691 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.662 32.403 25.648 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.266 34.328 24.618 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.248 33.629 23.345 1.00 0.00 H new ATOM 1035 N SER A 65 16.349 29.058 24.872 1.00 0.00 N ATOM 1036 CA SER A 65 17.146 28.125 25.634 1.00 0.00 C ATOM 1037 C SER A 65 18.653 28.393 25.572 1.00 0.00 C ATOM 1038 O SER A 65 19.135 28.881 24.563 1.00 0.00 O ATOM 1039 CB SER A 65 16.906 26.685 25.176 1.00 0.00 C ATOM 1040 OG SER A 65 15.642 26.299 25.672 1.00 0.00 O ATOM 0 H SER A 65 15.994 28.603 24.031 1.00 0.00 H new ATOM 0 HA SER A 65 16.819 28.268 26.664 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.931 26.617 24.088 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.687 26.025 25.554 1.00 0.00 H new ATOM 0 HG SER A 65 15.719 25.435 26.128 1.00 0.00 H new ATOM 1046 N THR A 66 19.396 28.254 26.663 1.00 0.00 N ATOM 1047 CA THR A 66 20.787 28.658 26.659 1.00 0.00 C ATOM 1048 C THR A 66 21.722 27.443 26.603 1.00 0.00 C ATOM 1049 O THR A 66 21.561 26.460 27.332 1.00 0.00 O ATOM 1050 CB THR A 66 20.967 29.519 27.909 1.00 0.00 C ATOM 1051 OG1 THR A 66 19.950 30.492 27.905 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.218 30.399 27.987 1.00 0.00 C ATOM 0 H THR A 66 19.061 27.870 27.547 1.00 0.00 H new ATOM 0 HA THR A 66 21.051 29.233 25.771 1.00 0.00 H new ATOM 0 HB THR A 66 20.992 28.784 28.714 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.038 31.061 28.698 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.215 30.953 28.925 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.108 29.771 27.939 1.00 0.00 H new ATOM 0 HG23 THR A 66 22.223 31.099 27.152 1.00 0.00 H new ATOM 1060 N LEU A 67 22.829 27.602 25.888 1.00 0.00 N ATOM 1061 CA LEU A 67 23.928 26.656 25.829 1.00 0.00 C ATOM 1062 C LEU A 67 25.277 27.245 26.262 1.00 0.00 C ATOM 1063 O LEU A 67 25.377 28.466 26.342 1.00 0.00 O ATOM 1064 CB LEU A 67 24.174 26.257 24.373 1.00 0.00 C ATOM 1065 CG LEU A 67 22.987 25.549 23.730 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.259 25.115 22.284 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.701 24.227 24.450 1.00 0.00 C ATOM 0 H LEU A 67 22.989 28.428 25.311 1.00 0.00 H new ATOM 0 HA LEU A 67 23.631 25.842 26.490 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.412 27.150 23.795 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.046 25.605 24.325 1.00 0.00 H new ATOM 0 HG LEU A 67 22.172 26.271 23.784 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.377 24.617 21.882 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.489 25.991 21.678 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.105 24.428 22.263 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.851 23.733 23.980 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.577 23.581 24.386 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.472 24.425 25.497 1.00 0.00 H new ATOM 1079 N HIS A 68 26.243 26.437 26.678 1.00 0.00 N ATOM 1080 CA HIS A 68 27.547 26.946 27.043 1.00 0.00 C ATOM 1081 C HIS A 68 28.471 26.451 25.925 1.00 0.00 C ATOM 1082 O HIS A 68 28.306 25.401 25.316 1.00 0.00 O ATOM 1083 CB HIS A 68 27.867 26.547 28.488 1.00 0.00 C ATOM 1084 CG HIS A 68 29.237 26.781 29.068 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.595 25.853 30.054 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.231 27.702 28.923 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.787 26.310 30.448 1.00 0.00 C ATOM 1088 NE2 HIS A 68 31.211 27.454 29.871 1.00 0.00 N ATOM 0 H HIS A 68 26.143 25.426 26.769 1.00 0.00 H new ATOM 0 HA HIS A 68 27.651 28.030 27.088 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.155 27.067 29.129 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.659 25.481 28.579 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.252 28.495 28.190 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.379 25.792 31.188 1.00 0.00 H new ATOM 0 HE2 HIS A 68 32.046 28.001 30.081 1.00 0.00 H new ATOM 1096 N LEU A 69 29.536 27.245 25.816 1.00 0.00 N ATOM 1097 CA LEU A 69 30.592 27.047 24.844 1.00 0.00 C ATOM 1098 C LEU A 69 31.925 27.065 25.606 1.00 0.00 C ATOM 1099 O LEU A 69 32.354 28.032 26.219 1.00 0.00 O ATOM 1100 CB LEU A 69 30.528 27.989 23.635 1.00 0.00 C ATOM 1101 CG LEU A 69 31.524 27.907 22.484 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.354 26.893 21.353 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.624 29.273 21.800 1.00 0.00 C ATOM 0 H LEU A 69 29.684 28.057 26.416 1.00 0.00 H new ATOM 0 HA LEU A 69 30.468 26.077 24.362 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.536 27.871 23.199 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.586 29.005 24.027 1.00 0.00 H new ATOM 0 HG LEU A 69 32.401 27.552 23.025 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.170 27.004 20.639 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.366 25.884 21.764 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.404 27.067 20.848 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.336 29.216 20.977 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.645 29.559 21.415 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.962 30.017 22.521 1.00 0.00 H new ATOM 1115 N VAL A 70 32.648 25.971 25.396 1.00 0.00 N ATOM 1116 CA VAL A 70 34.063 25.767 25.646 1.00 0.00 C ATOM 1117 C VAL A 70 34.735 25.561 24.284 1.00 0.00 C ATOM 1118 O VAL A 70 34.084 25.014 23.395 1.00 0.00 O ATOM 1119 CB VAL A 70 34.270 24.590 26.587 1.00 0.00 C ATOM 1120 CG1 VAL A 70 35.671 24.541 27.188 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.186 24.389 27.647 1.00 0.00 C ATOM 0 H VAL A 70 32.216 25.131 25.012 1.00 0.00 H new ATOM 0 HA VAL A 70 34.512 26.628 26.142 1.00 0.00 H new ATOM 0 HB VAL A 70 34.166 23.729 25.926 1.00 0.00 H new ATOM 0 HG11 VAL A 70 35.753 23.679 27.849 1.00 0.00 H new ATOM 0 HG12 VAL A 70 36.407 24.457 26.389 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.855 25.453 27.756 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.434 23.524 28.262 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.124 25.276 28.277 1.00 0.00 H new ATOM 0 HG23 VAL A 70 32.226 24.224 27.159 1.00 0.00 H new ATOM 1131 N LEU A 71 35.994 26.007 24.209 1.00 0.00 N ATOM 1132 CA LEU A 71 36.867 25.998 23.052 1.00 0.00 C ATOM 1133 C LEU A 71 38.263 25.493 23.435 1.00 0.00 C ATOM 1134 O LEU A 71 38.676 25.498 24.588 1.00 0.00 O ATOM 1135 CB LEU A 71 36.766 27.346 22.348 1.00 0.00 C ATOM 1136 CG LEU A 71 37.013 28.630 23.135 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.954 29.620 22.428 1.00 0.00 C ATOM 1138 CD2 LEU A 71 35.699 29.241 23.605 1.00 0.00 C ATOM 0 H LEU A 71 36.455 26.413 25.023 1.00 0.00 H new ATOM 0 HA LEU A 71 36.556 25.276 22.298 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.471 27.333 21.517 1.00 0.00 H new ATOM 0 HB3 LEU A 71 35.767 27.415 21.918 1.00 0.00 H new ATOM 0 HG LEU A 71 37.568 28.356 24.032 1.00 0.00 H new ATOM 0 HD11 LEU A 71 38.081 30.507 23.048 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.923 29.148 22.266 1.00 0.00 H new ATOM 0 HD13 LEU A 71 37.525 29.907 21.468 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.902 30.155 24.163 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.077 29.474 22.741 1.00 0.00 H new ATOM 0 HD23 LEU A 71 35.177 28.532 24.247 1.00 0.00 H new ATOM 1150 N ARG A 72 38.969 24.902 22.469 1.00 0.00 N ATOM 1151 CA ARG A 72 40.332 24.448 22.649 1.00 0.00 C ATOM 1152 C ARG A 72 41.196 25.709 22.731 1.00 0.00 C ATOM 1153 O ARG A 72 41.269 26.605 21.896 1.00 0.00 O ATOM 1154 CB ARG A 72 40.855 23.560 21.528 1.00 0.00 C ATOM 1155 CG ARG A 72 42.262 23.007 21.706 1.00 0.00 C ATOM 1156 CD ARG A 72 42.612 21.995 20.618 1.00 0.00 C ATOM 1157 NE ARG A 72 42.741 22.670 19.324 1.00 0.00 N ATOM 1158 CZ ARG A 72 42.088 22.427 18.178 1.00 0.00 C ATOM 1159 NH1 ARG A 72 41.066 21.570 18.085 1.00 0.00 N ATOM 1160 NH2 ARG A 72 42.432 23.117 17.070 1.00 0.00 N ATOM 0 H ARG A 72 38.599 24.728 21.535 1.00 0.00 H new ATOM 0 HA ARG A 72 40.369 23.831 23.547 1.00 0.00 H new ATOM 0 HB2 ARG A 72 40.170 22.721 21.409 1.00 0.00 H new ATOM 0 HB3 ARG A 72 40.826 24.129 20.599 1.00 0.00 H new ATOM 0 HG2 ARG A 72 42.980 23.826 21.686 1.00 0.00 H new ATOM 0 HG3 ARG A 72 42.346 22.534 22.684 1.00 0.00 H new ATOM 0 HD2 ARG A 72 43.545 21.489 20.868 1.00 0.00 H new ATOM 0 HD3 ARG A 72 41.839 21.228 20.561 1.00 0.00 H new ATOM 0 HE ARG A 72 43.421 23.429 19.290 1.00 0.00 H new ATOM 0 HH11 ARG A 72 40.748 21.064 18.911 1.00 0.00 H new ATOM 0 HH12 ARG A 72 40.604 21.423 17.188 1.00 0.00 H new ATOM 0 HH21 ARG A 72 43.178 23.811 17.113 1.00 0.00 H new ATOM 0 HH22 ARG A 72 41.946 22.944 16.190 1.00 0.00 H new ATOM 1174 N LEU A 73 41.912 25.703 23.856 1.00 0.00 N ATOM 1175 CA LEU A 73 42.927 26.577 24.403 1.00 0.00 C ATOM 1176 C LEU A 73 44.062 25.705 24.937 1.00 0.00 C ATOM 1177 O LEU A 73 43.913 24.485 24.995 1.00 0.00 O ATOM 1178 CB LEU A 73 42.411 27.485 25.518 1.00 0.00 C ATOM 1179 CG LEU A 73 41.183 28.334 25.172 1.00 0.00 C ATOM 1180 CD1 LEU A 73 40.660 28.957 26.467 1.00 0.00 C ATOM 1181 CD2 LEU A 73 41.495 29.469 24.194 1.00 0.00 C ATOM 0 H LEU A 73 41.753 24.940 24.513 1.00 0.00 H new ATOM 0 HA LEU A 73 43.264 27.238 23.605 1.00 0.00 H new ATOM 0 HB2 LEU A 73 42.170 26.866 26.382 1.00 0.00 H new ATOM 0 HB3 LEU A 73 43.218 28.153 25.820 1.00 0.00 H new ATOM 0 HG LEU A 73 40.453 27.679 24.695 1.00 0.00 H new ATOM 0 HD11 LEU A 73 39.784 29.568 26.249 1.00 0.00 H new ATOM 0 HD12 LEU A 73 40.387 28.167 27.166 1.00 0.00 H new ATOM 0 HD13 LEU A 73 41.436 29.581 26.910 1.00 0.00 H new ATOM 0 HD21 LEU A 73 40.585 30.033 23.989 1.00 0.00 H new ATOM 0 HD22 LEU A 73 42.242 30.132 24.632 1.00 0.00 H new ATOM 0 HD23 LEU A 73 41.881 29.052 23.264 1.00 0.00 H new ATOM 1193 N ARG A 74 45.179 26.288 25.370 1.00 0.00 N ATOM 1194 CA ARG A 74 46.059 25.683 26.344 1.00 0.00 C ATOM 1195 C ARG A 74 45.689 26.325 27.690 1.00 0.00 C ATOM 1196 O ARG A 74 45.446 27.531 27.766 1.00 0.00 O ATOM 1197 CB ARG A 74 47.463 26.003 25.832 1.00 0.00 C ATOM 1198 CG ARG A 74 47.825 27.490 25.739 1.00 0.00 C ATOM 1199 CD ARG A 74 49.325 27.753 25.699 1.00 0.00 C ATOM 1200 NE ARG A 74 50.050 27.272 24.522 1.00 0.00 N ATOM 1201 CZ ARG A 74 51.039 26.369 24.423 1.00 0.00 C ATOM 1202 NH1 ARG A 74 51.518 25.804 25.536 1.00 0.00 N ATOM 1203 NH2 ARG A 74 51.479 26.078 23.189 1.00 0.00 N ATOM 0 H ARG A 74 45.493 27.203 25.046 1.00 0.00 H new ATOM 0 HA ARG A 74 45.988 24.604 26.481 1.00 0.00 H new ATOM 0 HB2 ARG A 74 48.186 25.514 26.485 1.00 0.00 H new ATOM 0 HB3 ARG A 74 47.577 25.560 24.843 1.00 0.00 H new ATOM 0 HG2 ARG A 74 47.367 27.911 24.844 1.00 0.00 H new ATOM 0 HG3 ARG A 74 47.396 28.014 26.593 1.00 0.00 H new ATOM 0 HD2 ARG A 74 49.483 28.828 25.779 1.00 0.00 H new ATOM 0 HD3 ARG A 74 49.773 27.298 26.583 1.00 0.00 H new ATOM 0 HE ARG A 74 49.758 27.688 23.638 1.00 0.00 H new ATOM 0 HH11 ARG A 74 51.132 26.060 26.445 1.00 0.00 H new ATOM 0 HH12 ARG A 74 52.269 25.116 25.476 1.00 0.00 H new ATOM 0 HH21 ARG A 74 51.064 26.537 22.378 1.00 0.00 H new ATOM 0 HH22 ARG A 74 52.229 25.398 23.062 1.00 0.00 H new ATOM 1217 N GLY A 75 45.736 25.471 28.707 1.00 0.00 N ATOM 1218 CA GLY A 75 45.918 25.941 30.064 1.00 0.00 C ATOM 1219 C GLY A 75 47.264 25.419 30.558 1.00 0.00 C ATOM 1220 O GLY A 75 48.318 25.998 30.295 1.00 0.00 O ATOM 0 H GLY A 75 45.651 24.459 28.613 1.00 0.00 H new ATOM 0 HA2 GLY A 75 45.894 27.030 30.098 1.00 0.00 H new ATOM 0 HA3 GLY A 75 45.111 25.584 30.704 1.00 0.00 H new ATOM 1224 N GLY A 76 47.172 24.290 31.255 1.00 0.00 N ATOM 1225 CA GLY A 76 48.191 23.561 31.980 1.00 0.00 C ATOM 1226 C GLY A 76 48.066 23.773 33.488 1.00 0.00 C ATOM 1227 O GLY A 76 47.211 24.569 33.939 1.00 0.00 O ATOM 1228 OXT GLY A 76 48.825 23.098 34.217 1.00 0.00 O ATOM 0 H GLY A 76 46.273 23.814 31.329 1.00 0.00 H new ATOM 0 HA2 GLY A 76 48.110 22.498 31.753 1.00 0.00 H new ATOM 0 HA3 GLY A 76 49.177 23.884 31.647 1.00 0.00 H new TER 1232 GLY A 76