USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 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 49 TYR OH : rot 180:sc= 0.709 USER MOD Set 1.2: A 67 THR OG1 : rot -49:sc= 0.915 USER MOD Set 1.3: A 70 SER OG : rot -116:sc= 2.35 USER MOD Set 2.1: A 26 THR OG1 : rot -170:sc= 0.747 USER MOD Set 2.2: A 28 SER OG : rot -69:sc= 0.858 USER MOD Single : A 1 ALA N :NH3+ -136:sc= 1.05 (180deg=0.0742) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 0.912 (180deg=0.912) USER MOD Single : A 7 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-0.99) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= 1.01 (180deg=0.892) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -66:sc= 1.11 USER MOD Single : A 29 SER OG : rot -169:sc= 0.891 USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= 1 (180deg=0.834) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00661) USER MOD Single : A 35 HIS : no HE2:sc= 0.93 K(o=0.93,f=-2.8!) USER MOD Single : A 39 ASN : amide:sc= 0.874 K(o=0.87,f=-1.1) USER MOD Single : A 40 THR OG1 : rot -160:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -132:sc= -0.122 (180deg=-1.98) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0503 X(o=-0.05,f=-0.35) USER MOD Single : A 62 ASN : amide:sc= 1.26 K(o=1.3,f=-5.8!) USER MOD Single : A 64 TYR OH : rot 173:sc= 1.14 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.812 K(o=-0.81,f=-4.5!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.339 7.239 7.554 1.00 0.00 N ATOM 2 CA ALA A 1 -12.279 8.636 7.140 1.00 0.00 C ATOM 3 C ALA A 1 -12.140 9.560 8.346 1.00 0.00 C ATOM 4 O ALA A 1 -12.982 9.557 9.242 1.00 0.00 O ATOM 5 CB ALA A 1 -13.516 9.001 6.334 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.733 6.666 6.933 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.007 7.153 8.536 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.320 6.900 7.489 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.398 8.766 6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.458 10.047 6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.572 8.369 5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.406 8.849 6.945 1.00 0.00 H new ATOM 11 N ALA A 2 -11.070 10.348 8.359 1.00 0.00 N ATOM 12 CA ALA A 2 -10.851 11.320 9.423 1.00 0.00 C ATOM 13 C ALA A 2 -10.136 12.560 8.896 1.00 0.00 C ATOM 14 O ALA A 2 -9.733 12.610 7.735 1.00 0.00 O ATOM 15 CB ALA A 2 -10.055 10.690 10.558 1.00 0.00 C ATOM 0 H ALA A 2 -10.342 10.332 7.645 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.824 11.629 9.805 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.899 11.427 11.346 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.606 9.840 10.961 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.090 10.351 10.181 1.00 0.00 H new ATOM 21 N VAL A 3 -9.982 13.560 9.758 1.00 0.00 N ATOM 22 CA VAL A 3 -9.316 14.800 9.380 1.00 0.00 C ATOM 23 C VAL A 3 -7.850 14.556 9.038 1.00 0.00 C ATOM 24 O VAL A 3 -7.213 15.372 8.373 1.00 0.00 O ATOM 25 CB VAL A 3 -9.404 15.854 10.500 1.00 0.00 C ATOM 26 CG1 VAL A 3 -8.498 15.473 11.662 1.00 0.00 C ATOM 27 CG2 VAL A 3 -9.035 17.230 9.968 1.00 0.00 C ATOM 0 H VAL A 3 -10.310 13.535 10.724 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.833 15.178 8.498 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.432 15.888 10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.572 16.228 12.444 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.805 14.506 12.061 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.467 15.411 11.314 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.103 17.962 10.773 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.016 17.209 9.581 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.721 17.507 9.168 1.00 0.00 H new ATOM 37 N ARG A 4 -7.323 13.426 9.499 1.00 0.00 N ATOM 38 CA ARG A 4 -5.892 13.156 9.401 1.00 0.00 C ATOM 39 C ARG A 4 -5.564 12.441 8.094 1.00 0.00 C ATOM 40 O ARG A 4 -5.344 11.229 8.075 1.00 0.00 O ATOM 41 CB ARG A 4 -5.367 12.390 10.605 1.00 0.00 C ATOM 42 CG ARG A 4 -5.560 13.090 11.942 1.00 0.00 C ATOM 43 CD ARG A 4 -4.970 12.372 13.100 1.00 0.00 C ATOM 44 NE ARG A 4 -5.186 13.018 14.384 1.00 0.00 N ATOM 45 CZ ARG A 4 -4.756 12.535 15.566 1.00 0.00 C ATOM 46 NH1 ARG A 4 -4.121 11.386 15.638 1.00 0.00 N ATOM 47 NH2 ARG A 4 -5.010 13.237 16.657 1.00 0.00 N ATOM 0 H ARG A 4 -7.864 12.684 9.943 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.379 14.118 9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.862 11.420 10.644 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.303 12.200 10.461 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.120 14.085 11.884 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.627 13.223 12.118 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.388 11.366 13.139 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.898 12.265 12.937 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.699 13.899 14.391 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.947 10.845 14.791 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.802 11.035 16.541 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.519 14.118 16.589 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.697 12.897 17.566 1.00 0.00 H new ATOM 61 N LYS A 5 -5.532 13.198 7.002 1.00 0.00 N ATOM 62 CA LYS A 5 -5.406 12.616 5.671 1.00 0.00 C ATOM 63 C LYS A 5 -3.948 12.606 5.219 1.00 0.00 C ATOM 64 O LYS A 5 -3.203 13.553 5.474 1.00 0.00 O ATOM 65 CB LYS A 5 -6.266 13.383 4.666 1.00 0.00 C ATOM 66 CG LYS A 5 -6.273 12.790 3.262 1.00 0.00 C ATOM 67 CD LYS A 5 -7.204 13.564 2.341 1.00 0.00 C ATOM 68 CE LYS A 5 -7.234 12.954 0.946 1.00 0.00 C ATOM 69 NZ LYS A 5 -8.152 13.692 0.037 1.00 0.00 N ATOM 0 H LYS A 5 -5.592 14.216 7.013 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.759 11.586 5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.290 13.420 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.909 14.411 4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.262 12.802 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.586 11.747 3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.211 13.570 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.878 14.602 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.228 12.957 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.548 11.912 1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.131 13.256 -0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.120 13.653 0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.848 14.684 -0.033 1.00 0.00 H new ATOM 83 N ILE A 6 -3.550 11.531 4.547 1.00 0.00 N ATOM 84 CA ILE A 6 -2.196 11.422 4.016 1.00 0.00 C ATOM 85 C ILE A 6 -2.207 10.862 2.598 1.00 0.00 C ATOM 86 O ILE A 6 -3.096 10.092 2.228 1.00 0.00 O ATOM 87 CB ILE A 6 -1.311 10.530 4.904 1.00 0.00 C ATOM 88 CG1 ILE A 6 -1.909 9.126 5.017 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.142 11.152 6.282 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.001 8.127 5.699 1.00 0.00 C ATOM 0 H ILE A 6 -4.144 10.724 4.357 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.780 12.429 4.003 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.328 10.448 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.848 9.185 5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.148 8.762 4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.513 10.508 6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.673 12.131 6.184 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.119 11.263 6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.495 7.156 5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.071 8.037 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.782 8.467 6.711 1.00 0.00 H new ATOM 102 N HIS A 7 -1.213 11.250 1.807 1.00 0.00 N ATOM 103 CA HIS A 7 -1.048 10.706 0.462 1.00 0.00 C ATOM 104 C HIS A 7 -0.050 9.551 0.464 1.00 0.00 C ATOM 105 O HIS A 7 1.017 9.640 1.071 1.00 0.00 O ATOM 106 CB HIS A 7 -0.589 11.797 -0.512 1.00 0.00 C ATOM 107 CG HIS A 7 -1.553 12.935 -0.637 1.00 0.00 C ATOM 108 ND1 HIS A 7 -2.695 12.861 -1.408 1.00 0.00 N ATOM 109 CD2 HIS A 7 -1.547 14.174 -0.092 1.00 0.00 C ATOM 110 CE1 HIS A 7 -3.349 14.008 -1.330 1.00 0.00 C ATOM 111 NE2 HIS A 7 -2.673 14.819 -0.538 1.00 0.00 N ATOM 0 H HIS A 7 -0.509 11.939 2.073 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.016 10.329 0.131 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.375 12.184 -0.183 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.435 11.353 -1.495 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -0.796 14.579 0.570 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.278 14.241 -1.829 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -2.944 15.772 -0.296 1.00 0.00 H new ATOM 118 N VAL A 8 -0.406 8.468 -0.220 1.00 0.00 N ATOM 119 CA VAL A 8 0.515 7.357 -0.427 1.00 0.00 C ATOM 120 C VAL A 8 0.854 7.191 -1.904 1.00 0.00 C ATOM 121 O VAL A 8 -0.035 7.133 -2.754 1.00 0.00 O ATOM 122 CB VAL A 8 -0.064 6.034 0.108 1.00 0.00 C ATOM 123 CG1 VAL A 8 0.836 4.867 -0.270 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.240 6.102 1.617 1.00 0.00 C ATOM 0 H VAL A 8 -1.326 8.337 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 8 1.423 7.595 0.127 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.042 5.877 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.412 3.940 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.915 4.805 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.827 5.018 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.650 5.159 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.726 6.282 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.923 6.914 1.867 1.00 0.00 H new ATOM 134 N THR A 9 2.146 7.116 -2.206 1.00 0.00 N ATOM 135 CA THR A 9 2.600 6.781 -3.549 1.00 0.00 C ATOM 136 C THR A 9 2.780 5.276 -3.709 1.00 0.00 C ATOM 137 O THR A 9 3.627 4.668 -3.055 1.00 0.00 O ATOM 138 CB THR A 9 3.927 7.485 -3.890 1.00 0.00 C ATOM 139 OG1 THR A 9 3.749 8.906 -3.816 1.00 0.00 O ATOM 140 CG2 THR A 9 4.387 7.108 -5.289 1.00 0.00 C ATOM 0 H THR A 9 2.898 7.283 -1.537 1.00 0.00 H new ATOM 0 HA THR A 9 1.829 7.128 -4.237 1.00 0.00 H new ATOM 0 HB THR A 9 4.684 7.168 -3.173 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.594 9.353 -4.031 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.326 7.615 -5.512 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.535 6.029 -5.345 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.631 7.409 -6.014 1.00 0.00 H new ATOM 148 N VAL A 10 1.979 4.679 -4.584 1.00 0.00 N ATOM 149 CA VAL A 10 1.995 3.234 -4.774 1.00 0.00 C ATOM 150 C VAL A 10 2.799 2.850 -6.011 1.00 0.00 C ATOM 151 O VAL A 10 2.445 3.215 -7.134 1.00 0.00 O ATOM 152 CB VAL A 10 0.569 2.666 -4.902 1.00 0.00 C ATOM 153 CG1 VAL A 10 0.614 1.163 -5.137 1.00 0.00 C ATOM 154 CG2 VAL A 10 -0.246 2.985 -3.659 1.00 0.00 C ATOM 0 H VAL A 10 1.310 5.174 -5.173 1.00 0.00 H new ATOM 0 HA VAL A 10 2.468 2.805 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 10 0.087 3.136 -5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.402 0.778 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.162 0.955 -6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.114 0.678 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.250 2.576 -3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.234 2.542 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.306 4.066 -3.531 1.00 0.00 H new ATOM 164 N LYS A 11 3.882 2.110 -5.800 1.00 0.00 N ATOM 165 CA LYS A 11 4.813 1.791 -6.877 1.00 0.00 C ATOM 166 C LYS A 11 4.632 0.350 -7.343 1.00 0.00 C ATOM 167 O LYS A 11 4.768 -0.589 -6.556 1.00 0.00 O ATOM 168 CB LYS A 11 6.256 2.024 -6.426 1.00 0.00 C ATOM 169 CG LYS A 11 7.301 1.755 -7.501 1.00 0.00 C ATOM 170 CD LYS A 11 8.711 1.943 -6.960 1.00 0.00 C ATOM 171 CE LYS A 11 9.756 1.669 -8.032 1.00 0.00 C ATOM 172 NZ LYS A 11 11.140 1.881 -7.526 1.00 0.00 N ATOM 0 H LYS A 11 4.137 1.720 -4.893 1.00 0.00 H new ATOM 0 HA LYS A 11 4.598 2.453 -7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.357 3.056 -6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.463 1.386 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.186 0.738 -7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.140 2.427 -8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.827 2.961 -6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.870 1.274 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.652 0.643 -8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.578 2.321 -8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.822 1.684 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.247 2.866 -7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.319 1.241 -6.726 1.00 0.00 H new ATOM 186 N PHE A 12 4.328 0.180 -8.625 1.00 0.00 N ATOM 187 CA PHE A 12 4.465 -1.115 -9.279 1.00 0.00 C ATOM 188 C PHE A 12 5.690 -1.139 -10.188 1.00 0.00 C ATOM 189 O PHE A 12 6.197 -0.102 -10.615 1.00 0.00 O ATOM 190 CB PHE A 12 3.205 -1.448 -10.080 1.00 0.00 C ATOM 191 CG PHE A 12 1.985 -1.664 -9.230 1.00 0.00 C ATOM 192 CD1 PHE A 12 1.186 -0.595 -8.854 1.00 0.00 C ATOM 193 CD2 PHE A 12 1.635 -2.936 -8.803 1.00 0.00 C ATOM 194 CE1 PHE A 12 0.064 -0.792 -8.071 1.00 0.00 C ATOM 195 CE2 PHE A 12 0.514 -3.137 -8.022 1.00 0.00 C ATOM 196 CZ PHE A 12 -0.272 -2.062 -7.656 1.00 0.00 C ATOM 0 H PHE A 12 3.985 0.924 -9.232 1.00 0.00 H new ATOM 0 HA PHE A 12 4.597 -1.871 -8.505 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.008 -0.638 -10.783 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.388 -2.345 -10.671 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.443 0.403 -9.177 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.247 -3.780 -9.085 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.549 0.050 -7.785 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.252 -4.133 -7.698 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.149 -2.217 -7.045 1.00 0.00 H new ATOM 206 N PRO A 13 6.178 -2.351 -10.493 1.00 0.00 N ATOM 207 CA PRO A 13 7.320 -2.541 -11.392 1.00 0.00 C ATOM 208 C PRO A 13 7.076 -1.946 -12.773 1.00 0.00 C ATOM 209 O PRO A 13 8.006 -1.481 -13.433 1.00 0.00 O ATOM 210 CB PRO A 13 7.493 -4.062 -11.450 1.00 0.00 C ATOM 211 CG PRO A 13 6.181 -4.603 -10.996 1.00 0.00 C ATOM 212 CD PRO A 13 5.683 -3.629 -9.961 1.00 0.00 C ATOM 0 HA PRO A 13 8.214 -2.030 -11.034 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.733 -4.396 -12.459 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.305 -4.394 -10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.481 -4.685 -11.827 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.293 -5.602 -10.574 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.597 -3.643 -9.875 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.084 -3.843 -8.970 1.00 0.00 H new ATOM 220 N SER A 14 5.818 -1.961 -13.206 1.00 0.00 N ATOM 221 CA SER A 14 5.464 -1.495 -14.542 1.00 0.00 C ATOM 222 C SER A 14 4.841 -0.104 -14.484 1.00 0.00 C ATOM 223 O SER A 14 4.918 0.664 -15.443 1.00 0.00 O ATOM 224 CB SER A 14 4.515 -2.476 -15.204 1.00 0.00 C ATOM 225 OG SER A 14 3.306 -2.592 -14.504 1.00 0.00 O ATOM 0 H SER A 14 5.028 -2.291 -12.651 1.00 0.00 H new ATOM 0 HA SER A 14 6.375 -1.433 -15.138 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.313 -2.152 -16.225 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.992 -3.454 -15.268 1.00 0.00 H new ATOM 0 HG SER A 14 2.722 -3.231 -14.963 1.00 0.00 H new ATOM 231 N LYS A 15 4.222 0.214 -13.352 1.00 0.00 N ATOM 232 CA LYS A 15 3.371 1.393 -13.249 1.00 0.00 C ATOM 233 C LYS A 15 3.489 2.031 -11.869 1.00 0.00 C ATOM 234 O LYS A 15 3.927 1.390 -10.914 1.00 0.00 O ATOM 235 CB LYS A 15 1.914 1.030 -13.540 1.00 0.00 C ATOM 236 CG LYS A 15 1.646 0.611 -14.980 1.00 0.00 C ATOM 237 CD LYS A 15 0.170 0.317 -15.204 1.00 0.00 C ATOM 238 CE LYS A 15 -0.107 -0.053 -16.654 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.558 -0.265 -16.906 1.00 0.00 N ATOM 0 H LYS A 15 4.294 -0.329 -12.492 1.00 0.00 H new ATOM 0 HA LYS A 15 3.707 2.117 -13.992 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.615 0.219 -12.877 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.284 1.887 -13.300 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.968 1.402 -15.657 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.236 -0.274 -15.219 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.143 -0.499 -14.552 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.422 1.190 -14.930 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.263 0.737 -17.307 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.442 -0.960 -16.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.729 -0.313 -17.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.861 -1.155 -16.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.100 0.525 -16.502 1.00 0.00 H new ATOM 253 N GLN A 16 3.096 3.298 -11.773 1.00 0.00 N ATOM 254 CA GLN A 16 3.012 3.975 -10.484 1.00 0.00 C ATOM 255 C GLN A 16 1.703 4.746 -10.360 1.00 0.00 C ATOM 256 O GLN A 16 1.167 5.244 -11.349 1.00 0.00 O ATOM 257 CB GLN A 16 4.196 4.928 -10.300 1.00 0.00 C ATOM 258 CG GLN A 16 5.549 4.239 -10.259 1.00 0.00 C ATOM 259 CD GLN A 16 6.688 5.215 -10.031 1.00 0.00 C ATOM 260 OE1 GLN A 16 6.477 6.427 -9.938 1.00 0.00 O ATOM 261 NE2 GLN A 16 7.906 4.692 -9.944 1.00 0.00 N ATOM 0 H GLN A 16 2.831 3.875 -12.571 1.00 0.00 H new ATOM 0 HA GLN A 16 3.044 3.215 -9.703 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.194 5.653 -11.114 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.057 5.487 -9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.550 3.492 -9.465 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.712 3.707 -11.197 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.035 3.684 -10.027 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.712 5.299 -9.795 1.00 0.00 H new ATOM 270 N PHE A 17 1.192 4.842 -9.137 1.00 0.00 N ATOM 271 CA PHE A 17 -0.069 5.530 -8.886 1.00 0.00 C ATOM 272 C PHE A 17 0.005 6.347 -7.599 1.00 0.00 C ATOM 273 O PHE A 17 0.786 6.041 -6.698 1.00 0.00 O ATOM 274 CB PHE A 17 -1.221 4.526 -8.811 1.00 0.00 C ATOM 275 CG PHE A 17 -1.328 3.635 -10.015 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.985 4.064 -11.159 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.769 2.365 -10.007 1.00 0.00 C ATOM 278 CE1 PHE A 17 -2.085 3.246 -12.266 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.867 1.544 -11.115 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.525 1.984 -12.245 1.00 0.00 C ATOM 0 H PHE A 17 1.632 4.452 -8.304 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.254 6.213 -9.715 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.094 3.907 -7.923 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.158 5.070 -8.689 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.424 5.051 -11.184 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.252 2.014 -9.126 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.601 3.593 -13.149 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.428 0.557 -11.096 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.602 1.343 -13.111 1.00 0.00 H new ATOM 290 N THR A 18 -0.817 7.391 -7.521 1.00 0.00 N ATOM 291 CA THR A 18 -1.034 8.100 -6.267 1.00 0.00 C ATOM 292 C THR A 18 -2.371 7.720 -5.644 1.00 0.00 C ATOM 293 O THR A 18 -3.398 7.682 -6.325 1.00 0.00 O ATOM 294 CB THR A 18 -0.987 9.626 -6.464 1.00 0.00 C ATOM 295 OG1 THR A 18 0.302 10.005 -6.965 1.00 0.00 O ATOM 296 CG2 THR A 18 -1.246 10.344 -5.149 1.00 0.00 C ATOM 0 H THR A 18 -1.342 7.763 -8.312 1.00 0.00 H new ATOM 0 HA THR A 18 -0.227 7.805 -5.597 1.00 0.00 H new ATOM 0 HB THR A 18 -1.761 9.909 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.331 10.976 -7.092 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.209 11.422 -5.309 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.230 10.067 -4.771 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.485 10.059 -4.423 1.00 0.00 H new ATOM 304 N VAL A 19 -2.358 7.439 -4.345 1.00 0.00 N ATOM 305 CA VAL A 19 -3.564 7.027 -3.638 1.00 0.00 C ATOM 306 C VAL A 19 -3.797 7.886 -2.401 1.00 0.00 C ATOM 307 O VAL A 19 -2.852 8.268 -1.712 1.00 0.00 O ATOM 308 CB VAL A 19 -3.494 5.546 -3.218 1.00 0.00 C ATOM 309 CG1 VAL A 19 -4.753 5.148 -2.463 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.300 4.655 -4.436 1.00 0.00 C ATOM 0 H VAL A 19 -1.524 7.489 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.396 7.159 -4.330 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.638 5.415 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.687 4.099 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.852 5.765 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.623 5.294 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.253 3.613 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.137 4.789 -5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.371 4.924 -4.939 1.00 0.00 H new ATOM 320 N GLU A 20 -5.062 8.185 -2.124 1.00 0.00 N ATOM 321 CA GLU A 20 -5.414 9.070 -1.020 1.00 0.00 C ATOM 322 C GLU A 20 -6.045 8.286 0.126 1.00 0.00 C ATOM 323 O GLU A 20 -7.096 7.665 -0.035 1.00 0.00 O ATOM 324 CB GLU A 20 -6.366 10.169 -1.495 1.00 0.00 C ATOM 325 CG GLU A 20 -5.759 11.134 -2.504 1.00 0.00 C ATOM 326 CD GLU A 20 -6.749 12.187 -2.918 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.844 12.179 -2.409 1.00 0.00 O ATOM 328 OE2 GLU A 20 -6.376 13.067 -3.658 1.00 0.00 O ATOM 0 H GLU A 20 -5.860 7.827 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.498 9.534 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.246 9.704 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.708 10.736 -0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.879 11.610 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.424 10.582 -3.382 1.00 0.00 H new ATOM 335 N VAL A 21 -5.397 8.320 1.287 1.00 0.00 N ATOM 336 CA VAL A 21 -5.808 7.495 2.417 1.00 0.00 C ATOM 337 C VAL A 21 -5.766 8.288 3.719 1.00 0.00 C ATOM 338 O VAL A 21 -5.369 9.452 3.736 1.00 0.00 O ATOM 339 CB VAL A 21 -4.918 6.246 2.559 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.055 5.353 1.334 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.465 6.646 2.764 1.00 0.00 C ATOM 0 H VAL A 21 -4.585 8.910 1.469 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.832 7.178 2.220 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.248 5.686 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.420 4.475 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.093 5.038 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.751 5.906 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.851 5.750 2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.123 7.228 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.377 7.247 3.669 1.00 0.00 H new ATOM 351 N ASP A 22 -6.178 7.647 4.807 1.00 0.00 N ATOM 352 CA ASP A 22 -6.150 8.277 6.122 1.00 0.00 C ATOM 353 C ASP A 22 -5.177 7.557 7.049 1.00 0.00 C ATOM 354 O ASP A 22 -5.130 6.328 7.082 1.00 0.00 O ATOM 355 CB ASP A 22 -7.552 8.297 6.739 1.00 0.00 C ATOM 356 CG ASP A 22 -7.695 9.215 7.946 1.00 0.00 C ATOM 357 OD1 ASP A 22 -6.958 9.046 8.888 1.00 0.00 O ATOM 358 OD2 ASP A 22 -8.426 10.172 7.854 1.00 0.00 O ATOM 0 H ASP A 22 -6.535 6.692 4.805 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.808 9.304 5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.267 8.606 5.976 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.820 7.283 7.035 1.00 0.00 H new ATOM 363 N ARG A 23 -4.401 8.332 7.800 1.00 0.00 N ATOM 364 CA ARG A 23 -3.315 7.778 8.600 1.00 0.00 C ATOM 365 C ARG A 23 -3.858 6.905 9.726 1.00 0.00 C ATOM 366 O ARG A 23 -3.145 6.065 10.277 1.00 0.00 O ATOM 367 CB ARG A 23 -2.381 8.856 9.128 1.00 0.00 C ATOM 368 CG ARG A 23 -2.949 9.695 10.263 1.00 0.00 C ATOM 369 CD ARG A 23 -2.129 10.881 10.619 1.00 0.00 C ATOM 370 NE ARG A 23 -0.807 10.565 11.139 1.00 0.00 N ATOM 371 CZ ARG A 23 0.252 11.397 11.092 1.00 0.00 C ATOM 372 NH1 ARG A 23 0.162 12.576 10.518 1.00 0.00 N ATOM 373 NH2 ARG A 23 1.392 10.985 11.618 1.00 0.00 N ATOM 0 H ARG A 23 -4.504 9.344 7.871 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.719 7.146 7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.461 8.383 9.470 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.112 9.518 8.305 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.949 10.030 9.986 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.057 9.065 11.146 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.018 11.509 9.735 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.667 11.469 11.362 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.673 9.650 11.569 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.719 12.873 10.099 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.973 13.193 10.491 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.452 10.060 12.044 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.212 11.592 11.598 1.00 0.00 H new ATOM 387 N THR A 24 -5.128 7.108 10.064 1.00 0.00 N ATOM 388 CA THR A 24 -5.757 6.369 11.152 1.00 0.00 C ATOM 389 C THR A 24 -6.399 5.083 10.643 1.00 0.00 C ATOM 390 O THR A 24 -6.793 4.221 11.429 1.00 0.00 O ATOM 391 CB THR A 24 -6.824 7.217 11.868 1.00 0.00 C ATOM 392 OG1 THR A 24 -7.919 7.465 10.977 1.00 0.00 O ATOM 393 CG2 THR A 24 -6.236 8.543 12.324 1.00 0.00 C ATOM 0 H THR A 24 -5.741 7.778 9.600 1.00 0.00 H new ATOM 0 HA THR A 24 -4.968 6.121 11.863 1.00 0.00 H new ATOM 0 HB THR A 24 -7.175 6.668 12.742 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.617 8.034 10.239 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.005 9.128 12.828 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.412 8.358 13.013 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.869 9.095 11.459 1.00 0.00 H new ATOM 401 N GLU A 25 -6.501 4.959 9.323 1.00 0.00 N ATOM 402 CA GLU A 25 -6.976 3.726 8.706 1.00 0.00 C ATOM 403 C GLU A 25 -5.830 2.738 8.513 1.00 0.00 C ATOM 404 O GLU A 25 -4.661 3.123 8.483 1.00 0.00 O ATOM 405 CB GLU A 25 -7.652 4.023 7.366 1.00 0.00 C ATOM 406 CG GLU A 25 -8.962 4.788 7.478 1.00 0.00 C ATOM 407 CD GLU A 25 -9.591 4.995 6.128 1.00 0.00 C ATOM 408 OE1 GLU A 25 -8.975 4.653 5.147 1.00 0.00 O ATOM 409 OE2 GLU A 25 -10.733 5.388 6.081 1.00 0.00 O ATOM 0 H GLU A 25 -6.261 5.697 8.661 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.709 3.274 9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.963 4.595 6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.839 3.081 6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.651 4.242 8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.782 5.754 7.950 1.00 0.00 H new ATOM 416 N THR A 26 -6.174 1.460 8.383 1.00 0.00 N ATOM 417 CA THR A 26 -5.175 0.412 8.224 1.00 0.00 C ATOM 418 C THR A 26 -4.764 0.260 6.764 1.00 0.00 C ATOM 419 O THR A 26 -5.354 0.875 5.876 1.00 0.00 O ATOM 420 CB THR A 26 -5.688 -0.942 8.746 1.00 0.00 C ATOM 421 OG1 THR A 26 -6.830 -1.351 7.982 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.077 -0.834 10.213 1.00 0.00 C ATOM 0 H THR A 26 -7.138 1.127 8.385 1.00 0.00 H new ATOM 0 HA THR A 26 -4.308 0.712 8.813 1.00 0.00 H new ATOM 0 HB THR A 26 -4.892 -1.679 8.644 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.250 -2.126 8.410 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.438 -1.800 10.566 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.208 -0.535 10.799 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.865 -0.089 10.327 1.00 0.00 H new ATOM 430 N VAL A 27 -3.748 -0.564 6.522 1.00 0.00 N ATOM 431 CA VAL A 27 -3.220 -0.750 5.176 1.00 0.00 C ATOM 432 C VAL A 27 -4.236 -1.447 4.277 1.00 0.00 C ATOM 433 O VAL A 27 -4.173 -1.340 3.053 1.00 0.00 O ATOM 434 CB VAL A 27 -1.915 -1.569 5.191 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.823 -0.817 5.939 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.148 -2.933 5.821 1.00 0.00 C ATOM 0 H VAL A 27 -3.275 -1.112 7.240 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.011 0.244 4.779 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.590 -1.717 4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.092 -1.410 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.636 0.138 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.142 -0.640 6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.215 -3.497 5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.497 -2.806 6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.899 -3.476 5.247 1.00 0.00 H new ATOM 446 N SER A 28 -5.174 -2.159 4.895 1.00 0.00 N ATOM 447 CA SER A 28 -6.167 -2.923 4.150 1.00 0.00 C ATOM 448 C SER A 28 -7.072 -1.998 3.342 1.00 0.00 C ATOM 449 O SER A 28 -7.552 -2.365 2.268 1.00 0.00 O ATOM 450 CB SER A 28 -6.989 -3.775 5.097 1.00 0.00 C ATOM 451 OG SER A 28 -7.822 -3.001 5.914 1.00 0.00 O ATOM 0 H SER A 28 -5.266 -2.222 5.909 1.00 0.00 H new ATOM 0 HA SER A 28 -5.644 -3.577 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.595 -4.474 4.521 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.322 -4.370 5.721 1.00 0.00 H new ATOM 0 HG SER A 28 -7.276 -2.496 6.553 1.00 0.00 H new ATOM 457 N SER A 29 -7.296 -0.798 3.863 1.00 0.00 N ATOM 458 CA SER A 29 -8.008 0.238 3.121 1.00 0.00 C ATOM 459 C SER A 29 -7.195 0.694 1.914 1.00 0.00 C ATOM 460 O SER A 29 -7.737 0.893 0.825 1.00 0.00 O ATOM 461 CB SER A 29 -8.318 1.412 4.028 1.00 0.00 C ATOM 462 OG SER A 29 -8.989 2.438 3.349 1.00 0.00 O ATOM 0 H SER A 29 -6.995 -0.517 4.796 1.00 0.00 H new ATOM 0 HA SER A 29 -8.947 -0.181 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.928 1.072 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.390 1.801 4.447 1.00 0.00 H new ATOM 0 HG SER A 29 -9.023 3.237 3.915 1.00 0.00 H new ATOM 468 N LEU A 30 -5.893 0.859 2.113 1.00 0.00 N ATOM 469 CA LEU A 30 -4.984 1.178 1.017 1.00 0.00 C ATOM 470 C LEU A 30 -4.980 0.065 -0.027 1.00 0.00 C ATOM 471 O LEU A 30 -4.941 0.328 -1.229 1.00 0.00 O ATOM 472 CB LEU A 30 -3.566 1.414 1.554 1.00 0.00 C ATOM 473 CG LEU A 30 -2.489 1.624 0.481 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.833 2.835 -0.375 1.00 0.00 C ATOM 475 CD2 LEU A 30 -1.134 1.802 1.149 1.00 0.00 C ATOM 0 H LEU A 30 -5.442 0.777 3.024 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.334 2.092 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.582 2.287 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.281 0.561 2.170 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.447 0.750 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.063 2.975 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.796 2.675 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.887 3.723 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.369 1.951 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.164 2.670 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.896 0.912 1.732 1.00 0.00 H new ATOM 487 N LYS A 31 -5.022 -1.178 0.441 1.00 0.00 N ATOM 488 CA LYS A 31 -5.011 -2.332 -0.449 1.00 0.00 C ATOM 489 C LYS A 31 -6.258 -2.352 -1.329 1.00 0.00 C ATOM 490 O LYS A 31 -6.182 -2.637 -2.524 1.00 0.00 O ATOM 491 CB LYS A 31 -4.908 -3.629 0.354 1.00 0.00 C ATOM 492 CG LYS A 31 -3.542 -3.876 0.979 1.00 0.00 C ATOM 493 CD LYS A 31 -3.520 -5.178 1.765 1.00 0.00 C ATOM 494 CE LYS A 31 -2.146 -5.442 2.363 1.00 0.00 C ATOM 495 NZ LYS A 31 -2.106 -6.721 3.123 1.00 0.00 N ATOM 0 H LYS A 31 -5.064 -1.412 1.433 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.137 -2.252 -1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.658 -3.613 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.152 -4.467 -0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.783 -3.908 0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.286 -3.047 1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.263 -5.137 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.799 -6.004 1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.403 -5.470 1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.874 -4.619 3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.117 -7.000 3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.581 -6.595 4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.593 -7.463 2.580 1.00 0.00 H new ATOM 509 N ASP A 32 -7.403 -2.047 -0.729 1.00 0.00 N ATOM 510 CA ASP A 32 -8.657 -1.967 -1.470 1.00 0.00 C ATOM 511 C ASP A 32 -8.562 -0.937 -2.592 1.00 0.00 C ATOM 512 O ASP A 32 -8.987 -1.189 -3.719 1.00 0.00 O ATOM 513 CB ASP A 32 -9.815 -1.621 -0.531 1.00 0.00 C ATOM 514 CG ASP A 32 -10.245 -2.759 0.385 1.00 0.00 C ATOM 515 OD1 ASP A 32 -9.827 -3.869 0.155 1.00 0.00 O ATOM 516 OD2 ASP A 32 -10.854 -2.487 1.392 1.00 0.00 O ATOM 0 H ASP A 32 -7.489 -1.851 0.268 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.848 -2.943 -1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.527 -0.767 0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.671 -1.309 -1.129 1.00 0.00 H new ATOM 521 N LYS A 33 -8.003 0.225 -2.274 1.00 0.00 N ATOM 522 CA LYS A 33 -7.846 1.293 -3.254 1.00 0.00 C ATOM 523 C LYS A 33 -6.844 0.901 -4.333 1.00 0.00 C ATOM 524 O LYS A 33 -7.047 1.178 -5.515 1.00 0.00 O ATOM 525 CB LYS A 33 -7.407 2.590 -2.571 1.00 0.00 C ATOM 526 CG LYS A 33 -8.476 3.236 -1.701 1.00 0.00 C ATOM 527 CD LYS A 33 -7.943 4.475 -0.998 1.00 0.00 C ATOM 528 CE LYS A 33 -8.961 5.037 -0.016 1.00 0.00 C ATOM 529 NZ LYS A 33 -10.142 5.619 -0.711 1.00 0.00 N ATOM 0 H LYS A 33 -7.651 0.452 -1.344 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.813 1.457 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.531 2.384 -1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.099 3.303 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.334 3.506 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.828 2.518 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.023 4.227 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.691 5.235 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.290 4.246 0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.488 5.803 0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.787 6.036 -0.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.827 6.357 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.639 4.872 -1.237 1.00 0.00 H new ATOM 543 N ILE A 34 -5.760 0.251 -3.920 1.00 0.00 N ATOM 544 CA ILE A 34 -4.781 -0.278 -4.860 1.00 0.00 C ATOM 545 C ILE A 34 -5.418 -1.302 -5.797 1.00 0.00 C ATOM 546 O ILE A 34 -5.100 -1.351 -6.986 1.00 0.00 O ATOM 547 CB ILE A 34 -3.593 -0.930 -4.131 1.00 0.00 C ATOM 548 CG1 ILE A 34 -2.752 0.136 -3.421 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.739 -1.722 -5.108 1.00 0.00 C ATOM 550 CD1 ILE A 34 -1.725 -0.431 -2.470 1.00 0.00 C ATOM 0 H ILE A 34 -5.539 0.079 -2.939 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.415 0.566 -5.444 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.982 -1.618 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.244 0.743 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.416 0.801 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.903 -2.176 -4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.343 -2.503 -5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.357 -1.055 -5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.170 0.384 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.227 -1.014 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.036 -1.073 -3.019 1.00 0.00 H new ATOM 562 N HIS A 35 -6.317 -2.113 -5.253 1.00 0.00 N ATOM 563 CA HIS A 35 -7.009 -3.127 -6.043 1.00 0.00 C ATOM 564 C HIS A 35 -7.956 -2.478 -7.049 1.00 0.00 C ATOM 565 O HIS A 35 -8.117 -2.968 -8.167 1.00 0.00 O ATOM 566 CB HIS A 35 -7.783 -4.088 -5.134 1.00 0.00 C ATOM 567 CG HIS A 35 -8.594 -5.100 -5.882 1.00 0.00 C ATOM 568 ND1 HIS A 35 -8.024 -6.049 -6.703 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.931 -5.311 -5.932 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.976 -6.802 -7.227 1.00 0.00 C ATOM 571 NE2 HIS A 35 -10.141 -6.375 -6.775 1.00 0.00 N ATOM 0 H HIS A 35 -6.585 -2.089 -4.269 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.258 -3.695 -6.591 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.078 -4.608 -4.485 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.444 -3.510 -4.488 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.025 -6.154 -6.879 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.689 -4.748 -5.408 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.826 -7.626 -7.909 1.00 0.00 H new ATOM 578 N ILE A 36 -8.578 -1.377 -6.643 1.00 0.00 N ATOM 579 CA ILE A 36 -9.465 -0.631 -7.528 1.00 0.00 C ATOM 580 C ILE A 36 -8.684 0.024 -8.663 1.00 0.00 C ATOM 581 O ILE A 36 -9.091 -0.032 -9.824 1.00 0.00 O ATOM 582 CB ILE A 36 -10.247 0.451 -6.762 1.00 0.00 C ATOM 583 CG1 ILE A 36 -11.250 -0.194 -5.803 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.958 1.381 -7.734 1.00 0.00 C ATOM 585 CD1 ILE A 36 -11.846 0.770 -4.803 1.00 0.00 C ATOM 0 H ILE A 36 -8.485 -0.981 -5.708 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.172 -1.348 -7.945 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.541 1.040 -6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.055 -0.644 -6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.755 -1.002 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.506 2.140 -7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.224 1.864 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.654 0.806 -8.345 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.547 0.239 -4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.051 1.202 -4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.371 1.565 -5.332 1.00 0.00 H new ATOM 597 N VAL A 37 -7.559 0.643 -8.320 1.00 0.00 N ATOM 598 CA VAL A 37 -6.785 1.412 -9.287 1.00 0.00 C ATOM 599 C VAL A 37 -6.036 0.493 -10.247 1.00 0.00 C ATOM 600 O VAL A 37 -6.114 0.656 -11.464 1.00 0.00 O ATOM 601 CB VAL A 37 -5.775 2.344 -8.590 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.852 2.987 -9.612 1.00 0.00 C ATOM 603 CG2 VAL A 37 -6.502 3.410 -7.784 1.00 0.00 C ATOM 0 H VAL A 37 -7.163 0.627 -7.380 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.496 2.018 -9.849 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.171 1.748 -7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.145 3.642 -9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.306 2.211 -10.148 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.442 3.570 -10.319 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.773 4.059 -7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.131 4.003 -8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.124 2.933 -7.027 1.00 0.00 H new ATOM 613 N GLU A 38 -5.313 -0.472 -9.690 1.00 0.00 N ATOM 614 CA GLU A 38 -4.499 -1.377 -10.494 1.00 0.00 C ATOM 615 C GLU A 38 -5.236 -2.688 -10.750 1.00 0.00 C ATOM 616 O GLU A 38 -5.985 -3.168 -9.900 1.00 0.00 O ATOM 617 CB GLU A 38 -3.159 -1.649 -9.807 1.00 0.00 C ATOM 618 CG GLU A 38 -2.229 -2.568 -10.585 1.00 0.00 C ATOM 619 CD GLU A 38 -1.895 -1.993 -11.934 1.00 0.00 C ATOM 620 OE1 GLU A 38 -2.787 -1.851 -12.735 1.00 0.00 O ATOM 621 OE2 GLU A 38 -0.771 -1.591 -12.124 1.00 0.00 O ATOM 0 H GLU A 38 -5.274 -0.648 -8.686 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.308 -0.897 -11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.652 -0.699 -9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.349 -2.089 -8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.312 -2.726 -10.017 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.699 -3.544 -10.709 1.00 0.00 H new ATOM 628 N ASN A 39 -5.018 -3.263 -11.929 1.00 0.00 N ATOM 629 CA ASN A 39 -5.676 -4.508 -12.305 1.00 0.00 C ATOM 630 C ASN A 39 -4.906 -5.714 -11.774 1.00 0.00 C ATOM 631 O ASN A 39 -4.236 -6.419 -12.530 1.00 0.00 O ATOM 632 CB ASN A 39 -5.849 -4.613 -13.809 1.00 0.00 C ATOM 633 CG ASN A 39 -6.846 -3.640 -14.374 1.00 0.00 C ATOM 634 OD1 ASN A 39 -7.780 -3.207 -13.687 1.00 0.00 O ATOM 635 ND2 ASN A 39 -6.703 -3.357 -15.643 1.00 0.00 N ATOM 0 H ASN A 39 -4.391 -2.886 -12.640 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.667 -4.502 -11.852 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.884 -4.450 -14.289 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.162 -5.627 -14.060 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.380 -2.754 -16.110 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.915 -3.740 -16.165 1.00 0.00 H new ATOM 642 N THR A 40 -5.007 -5.944 -10.469 1.00 0.00 N ATOM 643 CA THR A 40 -4.371 -7.098 -9.846 1.00 0.00 C ATOM 644 C THR A 40 -5.080 -7.486 -8.555 1.00 0.00 C ATOM 645 O THR A 40 -5.439 -6.639 -7.736 1.00 0.00 O ATOM 646 CB THR A 40 -2.885 -6.831 -9.544 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.287 -8.011 -8.993 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.740 -5.685 -8.554 1.00 0.00 C ATOM 0 H THR A 40 -5.523 -5.347 -9.823 1.00 0.00 H new ATOM 0 HA THR A 40 -4.444 -7.920 -10.559 1.00 0.00 H new ATOM 0 HB THR A 40 -2.384 -6.561 -10.474 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.466 -7.769 -8.516 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.683 -5.510 -8.352 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.183 -4.782 -8.975 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.250 -5.940 -7.625 1.00 0.00 H new ATOM 656 N PRO A 41 -5.288 -8.798 -8.363 1.00 0.00 N ATOM 657 CA PRO A 41 -5.916 -9.332 -7.150 1.00 0.00 C ATOM 658 C PRO A 41 -5.154 -8.950 -5.886 1.00 0.00 C ATOM 659 O PRO A 41 -3.923 -8.893 -5.886 1.00 0.00 O ATOM 660 CB PRO A 41 -5.924 -10.847 -7.375 1.00 0.00 C ATOM 661 CG PRO A 41 -5.854 -11.004 -8.856 1.00 0.00 C ATOM 662 CD PRO A 41 -4.976 -9.879 -9.335 1.00 0.00 C ATOM 0 HA PRO A 41 -6.915 -8.926 -6.993 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.076 -11.326 -6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.827 -11.304 -6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.436 -11.973 -9.129 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.846 -10.947 -9.305 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.921 -10.151 -9.316 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.212 -9.586 -10.358 1.00 0.00 H new ATOM 670 N ILE A 42 -5.891 -8.689 -4.811 1.00 0.00 N ATOM 671 CA ILE A 42 -5.281 -8.356 -3.530 1.00 0.00 C ATOM 672 C ILE A 42 -4.375 -9.481 -3.044 1.00 0.00 C ATOM 673 O ILE A 42 -3.329 -9.236 -2.442 1.00 0.00 O ATOM 674 CB ILE A 42 -6.346 -8.066 -2.456 1.00 0.00 C ATOM 675 CG1 ILE A 42 -7.092 -6.769 -2.782 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.707 -7.985 -1.080 1.00 0.00 C ATOM 677 CD1 ILE A 42 -8.306 -6.528 -1.914 1.00 0.00 C ATOM 0 H ILE A 42 -6.911 -8.702 -4.802 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.685 -7.457 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.065 -8.885 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.406 -5.929 -2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.403 -6.792 -3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.475 -7.779 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.220 -8.932 -0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.967 -7.185 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.781 -5.591 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.013 -7.348 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.001 -6.471 -0.869 1.00 0.00 H new ATOM 689 N LYS A 43 -4.782 -10.718 -3.308 1.00 0.00 N ATOM 690 CA LYS A 43 -4.035 -11.884 -2.853 1.00 0.00 C ATOM 691 C LYS A 43 -2.751 -12.056 -3.659 1.00 0.00 C ATOM 692 O LYS A 43 -1.784 -12.651 -3.183 1.00 0.00 O ATOM 693 CB LYS A 43 -4.894 -13.146 -2.952 1.00 0.00 C ATOM 694 CG LYS A 43 -6.056 -13.195 -1.971 1.00 0.00 C ATOM 695 CD LYS A 43 -6.867 -14.471 -2.136 1.00 0.00 C ATOM 696 CE LYS A 43 -8.020 -14.529 -1.144 1.00 0.00 C ATOM 697 NZ LYS A 43 -8.832 -15.766 -1.305 1.00 0.00 N ATOM 0 H LYS A 43 -5.627 -10.939 -3.836 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.767 -11.725 -1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.287 -13.225 -3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.259 -14.017 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.676 -13.133 -0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.701 -12.330 -2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.257 -14.527 -3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.219 -15.336 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.627 -14.483 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.659 -13.656 -1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.606 -15.766 -0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.229 -15.798 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.229 -16.599 -1.151 1.00 0.00 H new ATOM 711 N ARG A 44 -2.750 -11.531 -4.879 1.00 0.00 N ATOM 712 CA ARG A 44 -1.626 -11.716 -5.788 1.00 0.00 C ATOM 713 C ARG A 44 -0.614 -10.583 -5.642 1.00 0.00 C ATOM 714 O ARG A 44 0.575 -10.761 -5.906 1.00 0.00 O ATOM 715 CB ARG A 44 -2.075 -11.881 -7.232 1.00 0.00 C ATOM 716 CG ARG A 44 -2.995 -13.066 -7.484 1.00 0.00 C ATOM 717 CD ARG A 44 -2.353 -14.391 -7.292 1.00 0.00 C ATOM 718 NE ARG A 44 -3.245 -15.525 -7.480 1.00 0.00 N ATOM 719 CZ ARG A 44 -2.914 -16.807 -7.230 1.00 0.00 C ATOM 720 NH1 ARG A 44 -1.708 -17.128 -6.819 1.00 0.00 N ATOM 721 NH2 ARG A 44 -3.830 -17.738 -7.432 1.00 0.00 N ATOM 0 H ARG A 44 -3.515 -10.974 -5.261 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.133 -12.646 -5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.585 -10.970 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.192 -11.984 -7.862 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.854 -12.992 -6.817 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.376 -13.005 -8.503 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.519 -14.481 -7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.935 -14.436 -6.286 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.186 -15.336 -7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.005 -16.401 -6.684 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.475 -18.104 -6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.757 -17.477 -7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.610 -18.718 -7.252 1.00 0.00 H new ATOM 735 N MET A 45 -1.096 -9.418 -5.220 1.00 0.00 N ATOM 736 CA MET A 45 -0.223 -8.279 -4.960 1.00 0.00 C ATOM 737 C MET A 45 0.256 -8.283 -3.511 1.00 0.00 C ATOM 738 O MET A 45 -0.536 -8.470 -2.587 1.00 0.00 O ATOM 739 CB MET A 45 -0.947 -6.973 -5.277 1.00 0.00 C ATOM 740 CG MET A 45 -2.101 -6.649 -4.338 1.00 0.00 C ATOM 741 SD MET A 45 -2.977 -5.142 -4.807 1.00 0.00 S ATOM 742 CE MET A 45 -3.772 -4.718 -3.259 1.00 0.00 C ATOM 0 H MET A 45 -2.086 -9.238 -5.051 1.00 0.00 H new ATOM 0 HA MET A 45 0.650 -8.362 -5.608 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.227 -6.155 -5.244 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.327 -7.021 -6.297 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.802 -7.484 -4.328 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.719 -6.542 -3.323 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.824 -4.495 -3.439 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.693 -5.557 -2.568 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.284 -3.844 -2.827 1.00 0.00 H new ATOM 752 N GLN A 46 1.555 -8.071 -3.321 1.00 0.00 N ATOM 753 CA GLN A 46 2.125 -7.977 -1.982 1.00 0.00 C ATOM 754 C GLN A 46 2.565 -6.550 -1.677 1.00 0.00 C ATOM 755 O GLN A 46 3.296 -5.934 -2.454 1.00 0.00 O ATOM 756 CB GLN A 46 3.314 -8.930 -1.836 1.00 0.00 C ATOM 757 CG GLN A 46 2.956 -10.400 -1.970 1.00 0.00 C ATOM 758 CD GLN A 46 4.170 -11.304 -1.866 1.00 0.00 C ATOM 759 OE1 GLN A 46 5.278 -10.847 -1.574 1.00 0.00 O ATOM 760 NE2 GLN A 46 3.968 -12.594 -2.112 1.00 0.00 N ATOM 0 H GLN A 46 2.231 -7.961 -4.077 1.00 0.00 H new ATOM 0 HA GLN A 46 1.352 -8.263 -1.268 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.060 -8.680 -2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.777 -8.768 -0.863 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.239 -10.669 -1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.465 -10.565 -2.929 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.034 -12.928 -2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.747 -13.251 -2.063 1.00 0.00 H new ATOM 769 N LEU A 47 2.117 -6.028 -0.541 1.00 0.00 N ATOM 770 CA LEU A 47 2.315 -4.620 -0.214 1.00 0.00 C ATOM 771 C LEU A 47 3.329 -4.461 0.913 1.00 0.00 C ATOM 772 O LEU A 47 3.087 -4.883 2.044 1.00 0.00 O ATOM 773 CB LEU A 47 0.980 -3.970 0.169 1.00 0.00 C ATOM 774 CG LEU A 47 1.037 -2.458 0.417 1.00 0.00 C ATOM 775 CD1 LEU A 47 1.323 -1.725 -0.887 1.00 0.00 C ATOM 776 CD2 LEU A 47 -0.279 -1.989 1.019 1.00 0.00 C ATOM 0 H LEU A 47 1.614 -6.559 0.170 1.00 0.00 H new ATOM 0 HA LEU A 47 2.709 -4.116 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.259 -4.165 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.603 -4.456 1.069 1.00 0.00 H new ATOM 0 HG LEU A 47 1.842 -2.237 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.361 -0.652 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.280 -2.058 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.533 -1.940 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.236 -0.914 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.094 -2.212 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.451 -2.504 1.964 1.00 0.00 H new ATOM 788 N TYR A 48 4.464 -3.847 0.598 1.00 0.00 N ATOM 789 CA TYR A 48 5.547 -3.699 1.564 1.00 0.00 C ATOM 790 C TYR A 48 6.124 -2.288 1.524 1.00 0.00 C ATOM 791 O TYR A 48 5.961 -1.566 0.538 1.00 0.00 O ATOM 792 CB TYR A 48 6.649 -4.727 1.299 1.00 0.00 C ATOM 793 CG TYR A 48 7.384 -4.513 -0.006 1.00 0.00 C ATOM 794 CD1 TYR A 48 6.911 -5.068 -1.187 1.00 0.00 C ATOM 795 CD2 TYR A 48 8.548 -3.761 -0.053 1.00 0.00 C ATOM 796 CE1 TYR A 48 7.578 -4.877 -2.381 1.00 0.00 C ATOM 797 CE2 TYR A 48 9.224 -3.564 -1.241 1.00 0.00 C ATOM 798 CZ TYR A 48 8.735 -4.124 -2.404 1.00 0.00 C ATOM 799 OH TYR A 48 9.404 -3.931 -3.592 1.00 0.00 O ATOM 0 H TYR A 48 4.658 -3.444 -0.318 1.00 0.00 H new ATOM 0 HA TYR A 48 5.136 -3.874 2.558 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.367 -4.696 2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.210 -5.725 1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.007 -5.659 -1.172 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.933 -3.322 0.855 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.197 -5.314 -3.292 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.129 -2.976 -1.260 1.00 0.00 H new ATOM 0 HH TYR A 48 10.197 -3.378 -3.435 1.00 0.00 H new ATOM 809 N TYR A 49 6.799 -1.900 2.599 1.00 0.00 N ATOM 810 CA TYR A 49 7.158 -0.503 2.815 1.00 0.00 C ATOM 811 C TYR A 49 8.568 -0.384 3.386 1.00 0.00 C ATOM 812 O TYR A 49 8.942 -1.112 4.305 1.00 0.00 O ATOM 813 CB TYR A 49 6.151 0.170 3.752 1.00 0.00 C ATOM 814 CG TYR A 49 6.556 1.560 4.192 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.719 2.580 3.267 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.772 1.846 5.532 1.00 0.00 C ATOM 817 CE1 TYR A 49 7.089 3.851 3.662 1.00 0.00 C ATOM 818 CE2 TYR A 49 7.142 3.113 5.939 1.00 0.00 C ATOM 819 CZ TYR A 49 7.300 4.114 5.001 1.00 0.00 C ATOM 820 OH TYR A 49 7.667 5.378 5.401 1.00 0.00 O ATOM 0 H TYR A 49 7.109 -2.533 3.336 1.00 0.00 H new ATOM 0 HA TYR A 49 7.135 0.004 1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.185 0.225 3.251 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.017 -0.455 4.635 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.554 2.377 2.219 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.649 1.066 6.269 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.212 4.634 2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.307 3.320 6.986 1.00 0.00 H new ATOM 0 HH TYR A 49 7.774 5.395 6.375 1.00 0.00 H new ATOM 830 N SER A 50 9.348 0.541 2.831 1.00 0.00 N ATOM 831 CA SER A 50 10.672 0.841 3.361 1.00 0.00 C ATOM 832 C SER A 50 10.669 0.800 4.886 1.00 0.00 C ATOM 833 O SER A 50 9.819 1.411 5.534 1.00 0.00 O ATOM 834 CB SER A 50 11.137 2.198 2.868 1.00 0.00 C ATOM 835 OG SER A 50 12.401 2.535 3.368 1.00 0.00 O ATOM 0 H SER A 50 9.085 1.094 2.015 1.00 0.00 H new ATOM 0 HA SER A 50 11.366 0.080 3.004 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.167 2.197 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.415 2.958 3.166 1.00 0.00 H new ATOM 0 HG SER A 50 12.664 3.415 3.026 1.00 0.00 H new ATOM 841 N GLY A 51 11.626 0.072 5.455 1.00 0.00 N ATOM 842 CA GLY A 51 11.623 -0.171 6.885 1.00 0.00 C ATOM 843 C GLY A 51 10.782 -1.373 7.267 1.00 0.00 C ATOM 844 O GLY A 51 11.241 -2.513 7.176 1.00 0.00 O ATOM 0 H GLY A 51 12.403 -0.354 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.647 -0.324 7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.244 0.712 7.400 1.00 0.00 H new ATOM 848 N ILE A 52 9.551 -1.121 7.695 1.00 0.00 N ATOM 849 CA ILE A 52 8.649 -2.191 8.103 1.00 0.00 C ATOM 850 C ILE A 52 7.763 -2.636 6.943 1.00 0.00 C ATOM 851 O ILE A 52 7.090 -1.819 6.317 1.00 0.00 O ATOM 852 CB ILE A 52 7.759 -1.760 9.283 1.00 0.00 C ATOM 853 CG1 ILE A 52 8.620 -1.422 10.504 1.00 0.00 C ATOM 854 CG2 ILE A 52 6.758 -2.855 9.621 1.00 0.00 C ATOM 855 CD1 ILE A 52 7.849 -0.775 11.633 1.00 0.00 C ATOM 0 H ILE A 52 9.154 -0.184 7.769 1.00 0.00 H new ATOM 0 HA ILE A 52 9.273 -3.026 8.419 1.00 0.00 H new ATOM 0 HB ILE A 52 7.206 -0.867 8.993 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.087 -2.336 10.872 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.425 -0.754 10.196 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.137 -2.534 10.457 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.127 -3.051 8.754 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.292 -3.765 9.894 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.525 -0.565 12.462 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.404 0.156 11.283 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.061 -1.449 11.969 1.00 0.00 H new ATOM 867 N GLU A 53 7.769 -3.936 6.667 1.00 0.00 N ATOM 868 CA GLU A 53 6.863 -4.509 5.678 1.00 0.00 C ATOM 869 C GLU A 53 5.440 -4.586 6.224 1.00 0.00 C ATOM 870 O GLU A 53 5.226 -4.933 7.387 1.00 0.00 O ATOM 871 CB GLU A 53 7.343 -5.900 5.254 1.00 0.00 C ATOM 872 CG GLU A 53 8.682 -5.909 4.531 1.00 0.00 C ATOM 873 CD GLU A 53 9.084 -7.305 4.145 1.00 0.00 C ATOM 874 OE1 GLU A 53 8.383 -8.224 4.496 1.00 0.00 O ATOM 875 OE2 GLU A 53 10.029 -7.446 3.405 1.00 0.00 O ATOM 0 H GLU A 53 8.390 -4.611 7.113 1.00 0.00 H new ATOM 0 HA GLU A 53 6.860 -3.857 4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.418 -6.531 6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.591 -6.349 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.620 -5.286 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.447 -5.472 5.173 1.00 0.00 H new ATOM 882 N LEU A 54 4.470 -4.257 5.378 1.00 0.00 N ATOM 883 CA LEU A 54 3.108 -4.005 5.836 1.00 0.00 C ATOM 884 C LEU A 54 2.317 -5.307 5.932 1.00 0.00 C ATOM 885 O LEU A 54 1.293 -5.472 5.269 1.00 0.00 O ATOM 886 CB LEU A 54 2.404 -3.019 4.895 1.00 0.00 C ATOM 887 CG LEU A 54 3.169 -1.715 4.625 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.348 -0.807 3.721 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.481 -1.026 5.945 1.00 0.00 C ATOM 0 H LEU A 54 4.601 -4.158 4.371 1.00 0.00 H new ATOM 0 HA LEU A 54 3.158 -3.564 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.220 -3.518 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.431 -2.770 5.318 1.00 0.00 H new ATOM 0 HG LEU A 54 4.107 -1.941 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.898 0.115 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.157 -1.313 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.400 -0.572 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.024 -0.101 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.551 -0.800 6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.092 -1.684 6.563 1.00 0.00 H new ATOM 901 N ALA A 55 2.798 -6.225 6.762 1.00 0.00 N ATOM 902 CA ALA A 55 2.254 -7.578 6.803 1.00 0.00 C ATOM 903 C ALA A 55 1.065 -7.660 7.752 1.00 0.00 C ATOM 904 O ALA A 55 0.283 -8.611 7.701 1.00 0.00 O ATOM 905 CB ALA A 55 3.333 -8.568 7.217 1.00 0.00 C ATOM 0 H ALA A 55 3.563 -6.058 7.415 1.00 0.00 H new ATOM 0 HA ALA A 55 1.906 -7.835 5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.913 -9.574 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.152 -8.535 6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.708 -8.305 8.206 1.00 0.00 H new ATOM 911 N ASP A 56 0.933 -6.661 8.618 1.00 0.00 N ATOM 912 CA ASP A 56 -0.121 -6.656 9.625 1.00 0.00 C ATOM 913 C ASP A 56 -1.314 -5.826 9.158 1.00 0.00 C ATOM 914 O ASP A 56 -1.264 -4.596 9.155 1.00 0.00 O ATOM 915 CB ASP A 56 0.409 -6.117 10.956 1.00 0.00 C ATOM 916 CG ASP A 56 -0.606 -6.133 12.091 1.00 0.00 C ATOM 917 OD1 ASP A 56 -1.748 -6.435 11.835 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.205 -5.999 13.222 1.00 0.00 O ATOM 0 H ASP A 56 1.543 -5.844 8.643 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.452 -7.684 9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.277 -6.706 11.253 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.754 -5.094 10.808 1.00 0.00 H new ATOM 923 N ASP A 57 -2.384 -6.507 8.766 1.00 0.00 N ATOM 924 CA ASP A 57 -3.546 -5.841 8.190 1.00 0.00 C ATOM 925 C ASP A 57 -4.219 -4.936 9.218 1.00 0.00 C ATOM 926 O ASP A 57 -4.874 -3.955 8.864 1.00 0.00 O ATOM 927 CB ASP A 57 -4.547 -6.868 7.655 1.00 0.00 C ATOM 928 CG ASP A 57 -4.134 -7.526 6.345 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.236 -7.026 5.709 1.00 0.00 O ATOM 930 OD2 ASP A 57 -4.606 -8.603 6.070 1.00 0.00 O ATOM 0 H ASP A 57 -2.471 -7.521 8.837 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.202 -5.224 7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.691 -7.643 8.407 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.511 -6.379 7.514 1.00 0.00 H new ATOM 935 N TYR A 58 -4.054 -5.273 10.493 1.00 0.00 N ATOM 936 CA TYR A 58 -4.792 -4.610 11.560 1.00 0.00 C ATOM 937 C TYR A 58 -4.001 -3.429 12.117 1.00 0.00 C ATOM 938 O TYR A 58 -4.507 -2.657 12.931 1.00 0.00 O ATOM 939 CB TYR A 58 -5.122 -5.599 12.679 1.00 0.00 C ATOM 940 CG TYR A 58 -6.060 -6.708 12.260 1.00 0.00 C ATOM 941 CD1 TYR A 58 -7.432 -6.509 12.238 1.00 0.00 C ATOM 942 CD2 TYR A 58 -5.572 -7.953 11.888 1.00 0.00 C ATOM 943 CE1 TYR A 58 -8.294 -7.518 11.856 1.00 0.00 C ATOM 944 CE2 TYR A 58 -6.425 -8.969 11.504 1.00 0.00 C ATOM 945 CZ TYR A 58 -7.787 -8.747 11.490 1.00 0.00 C ATOM 946 OH TYR A 58 -8.642 -9.757 11.110 1.00 0.00 O ATOM 0 H TYR A 58 -3.415 -6.002 10.812 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.724 -4.232 11.140 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.195 -6.040 13.046 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.568 -5.055 13.512 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.834 -5.548 12.525 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.507 -8.130 11.899 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.360 -7.345 11.844 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.029 -9.932 11.216 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.123 -10.557 10.882 1.00 0.00 H new ATOM 956 N ARG A 59 -2.756 -3.296 11.670 1.00 0.00 N ATOM 957 CA ARG A 59 -1.918 -2.170 12.065 1.00 0.00 C ATOM 958 C ARG A 59 -2.205 -0.948 11.196 1.00 0.00 C ATOM 959 O ARG A 59 -2.344 -1.059 9.979 1.00 0.00 O ATOM 960 CB ARG A 59 -0.439 -2.527 12.063 1.00 0.00 C ATOM 961 CG ARG A 59 0.475 -1.463 12.652 1.00 0.00 C ATOM 962 CD ARG A 59 1.901 -1.869 12.751 1.00 0.00 C ATOM 963 NE ARG A 59 2.744 -0.933 13.478 1.00 0.00 N ATOM 964 CZ ARG A 59 3.058 -1.041 14.783 1.00 0.00 C ATOM 965 NH1 ARG A 59 2.573 -2.016 15.518 1.00 0.00 N ATOM 966 NH2 ARG A 59 3.849 -0.123 15.313 1.00 0.00 N ATOM 0 H ARG A 59 -2.306 -3.954 11.034 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.174 -1.918 13.094 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.302 -3.453 12.622 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.129 -2.725 11.037 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.407 -0.563 12.041 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.114 -1.201 13.646 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.956 -2.842 13.238 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.301 -1.993 11.745 1.00 0.00 H new ATOM 0 HE ARG A 59 3.124 -0.139 12.963 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.948 -2.706 15.102 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.821 -2.083 16.505 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.203 0.640 14.736 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.105 -0.178 16.299 1.00 0.00 H new ATOM 980 N ASN A 60 -2.290 0.216 11.832 1.00 0.00 N ATOM 981 CA ASN A 60 -2.679 1.438 11.138 1.00 0.00 C ATOM 982 C ASN A 60 -1.492 2.042 10.394 1.00 0.00 C ATOM 983 O ASN A 60 -0.337 1.809 10.752 1.00 0.00 O ATOM 984 CB ASN A 60 -3.277 2.455 12.093 1.00 0.00 C ATOM 985 CG ASN A 60 -4.580 2.019 12.704 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.559 1.748 11.999 1.00 0.00 O ATOM 987 ND2 ASN A 60 -4.622 2.027 14.012 1.00 0.00 N ATOM 0 H ASN A 60 -2.095 0.339 12.826 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.445 1.170 10.411 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.561 2.656 12.890 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.432 3.393 11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.492 1.803 14.496 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.785 2.258 14.548 1.00 0.00 H new ATOM 994 N LEU A 61 -1.785 2.820 9.357 1.00 0.00 N ATOM 995 CA LEU A 61 -0.745 3.517 8.606 1.00 0.00 C ATOM 996 C LEU A 61 0.103 4.386 9.529 1.00 0.00 C ATOM 997 O LEU A 61 1.325 4.437 9.398 1.00 0.00 O ATOM 998 CB LEU A 61 -1.373 4.369 7.495 1.00 0.00 C ATOM 999 CG LEU A 61 -2.054 3.577 6.371 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -2.820 4.523 5.457 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.006 2.801 5.588 1.00 0.00 C ATOM 0 H LEU A 61 -2.733 2.984 9.017 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.094 2.771 8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.108 5.038 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.596 4.996 7.057 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.763 2.870 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.300 3.952 4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.579 5.051 6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.130 5.244 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.491 2.239 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.286 3.496 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.490 2.111 6.256 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.555 5.064 10.465 1.00 0.00 N ATOM 1014 CA ASN A 62 0.147 5.869 11.459 1.00 0.00 C ATOM 1015 C ASN A 62 1.037 4.995 12.336 1.00 0.00 C ATOM 1016 O ASN A 62 2.144 5.391 12.701 1.00 0.00 O ATOM 1017 CB ASN A 62 -0.821 6.664 12.315 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.151 7.647 13.234 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.494 8.604 12.788 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.230 7.372 14.510 1.00 0.00 N ATOM 0 H ASN A 62 -1.571 5.072 10.556 1.00 0.00 H new ATOM 0 HA ASN A 62 0.777 6.576 10.920 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.511 7.201 11.664 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.418 5.973 12.910 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.254 7.959 15.189 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.776 6.570 14.826 1.00 0.00 H new ATOM 1027 N GLU A 63 0.544 3.807 12.673 1.00 0.00 N ATOM 1028 CA GLU A 63 1.290 2.885 13.521 1.00 0.00 C ATOM 1029 C GLU A 63 2.501 2.324 12.783 1.00 0.00 C ATOM 1030 O GLU A 63 3.477 1.899 13.403 1.00 0.00 O ATOM 1031 CB GLU A 63 0.387 1.745 13.999 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.634 2.151 15.052 1.00 0.00 C ATOM 1033 CD GLU A 63 -1.587 1.027 15.350 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.595 0.069 14.615 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -2.227 1.073 16.374 1.00 0.00 O ATOM 0 H GLU A 63 -0.367 3.461 12.372 1.00 0.00 H new ATOM 0 HA GLU A 63 1.645 3.439 14.390 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.140 1.331 13.140 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.011 0.949 14.404 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.119 2.446 15.966 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.191 3.021 14.705 1.00 0.00 H new ATOM 1042 N TYR A 64 2.431 2.325 11.457 1.00 0.00 N ATOM 1043 CA TYR A 64 3.568 1.938 10.631 1.00 0.00 C ATOM 1044 C TYR A 64 4.582 3.073 10.533 1.00 0.00 C ATOM 1045 O TYR A 64 5.735 2.861 10.158 1.00 0.00 O ATOM 1046 CB TYR A 64 3.100 1.525 9.233 1.00 0.00 C ATOM 1047 CG TYR A 64 2.614 0.095 9.147 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.495 -0.965 9.298 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.277 -0.190 8.913 1.00 0.00 C ATOM 1050 CE1 TYR A 64 3.058 -2.273 9.219 1.00 0.00 C ATOM 1051 CE2 TYR A 64 0.828 -1.494 8.834 1.00 0.00 C ATOM 1052 CZ TYR A 64 1.722 -2.534 8.987 1.00 0.00 C ATOM 1053 OH TYR A 64 1.281 -3.835 8.907 1.00 0.00 O ATOM 0 H TYR A 64 1.598 2.590 10.931 1.00 0.00 H new ATOM 0 HA TYR A 64 4.053 1.085 11.105 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.297 2.191 8.918 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.922 1.662 8.530 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.540 -0.765 9.480 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.575 0.621 8.790 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.758 -3.087 9.338 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.217 -1.698 8.653 1.00 0.00 H new ATOM 0 HH TYR A 64 0.303 -3.846 8.853 1.00 0.00 H new ATOM 1063 N GLY A 65 4.142 4.282 10.872 1.00 0.00 N ATOM 1064 CA GLY A 65 4.982 5.452 10.699 1.00 0.00 C ATOM 1065 C GLY A 65 4.920 6.007 9.289 1.00 0.00 C ATOM 1066 O GLY A 65 5.834 6.708 8.851 1.00 0.00 O ATOM 0 H GLY A 65 3.219 4.471 11.263 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.674 6.224 11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.013 5.194 10.940 1.00 0.00 H new ATOM 1070 N ILE A 66 3.843 5.693 8.578 1.00 0.00 N ATOM 1071 CA ILE A 66 3.717 6.074 7.176 1.00 0.00 C ATOM 1072 C ILE A 66 3.201 7.503 7.038 1.00 0.00 C ATOM 1073 O ILE A 66 2.201 7.876 7.654 1.00 0.00 O ATOM 1074 CB ILE A 66 2.775 5.121 6.417 1.00 0.00 C ATOM 1075 CG1 ILE A 66 3.368 3.711 6.365 1.00 0.00 C ATOM 1076 CG2 ILE A 66 2.511 5.642 5.012 1.00 0.00 C ATOM 1077 CD1 ILE A 66 2.379 2.646 5.950 1.00 0.00 C ATOM 0 H ILE A 66 3.045 5.176 8.949 1.00 0.00 H new ATOM 0 HA ILE A 66 4.714 6.009 6.740 1.00 0.00 H new ATOM 0 HB ILE A 66 1.826 5.075 6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.207 3.706 5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.768 3.459 7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.844 4.957 4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.047 6.627 5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.453 5.716 4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.874 1.675 5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.551 2.622 6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.997 2.872 4.954 1.00 0.00 H new ATOM 1089 N THR A 67 3.890 8.298 6.226 1.00 0.00 N ATOM 1090 CA THR A 67 3.611 9.725 6.138 1.00 0.00 C ATOM 1091 C THR A 67 2.932 10.073 4.818 1.00 0.00 C ATOM 1092 O THR A 67 2.710 9.203 3.977 1.00 0.00 O ATOM 1093 CB THR A 67 4.895 10.562 6.280 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.717 10.382 5.119 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.673 10.141 7.518 1.00 0.00 C ATOM 0 H THR A 67 4.645 7.977 5.620 1.00 0.00 H new ATOM 0 HA THR A 67 2.940 9.965 6.963 1.00 0.00 H new ATOM 0 HB THR A 67 4.617 11.611 6.378 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.814 9.425 4.932 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.577 10.744 7.602 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.055 10.289 8.404 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.945 9.089 7.437 1.00 0.00 H new ATOM 1103 N GLU A 68 2.606 11.350 4.643 1.00 0.00 N ATOM 1104 CA GLU A 68 1.959 11.812 3.421 1.00 0.00 C ATOM 1105 C GLU A 68 2.970 11.934 2.285 1.00 0.00 C ATOM 1106 O GLU A 68 2.611 12.249 1.149 1.00 0.00 O ATOM 1107 CB GLU A 68 1.264 13.154 3.654 1.00 0.00 C ATOM 1108 CG GLU A 68 2.206 14.298 4.006 1.00 0.00 C ATOM 1109 CD GLU A 68 2.514 14.317 5.477 1.00 0.00 C ATOM 1110 OE1 GLU A 68 2.153 13.385 6.153 1.00 0.00 O ATOM 1111 OE2 GLU A 68 3.208 15.209 5.906 1.00 0.00 O ATOM 0 H GLU A 68 2.779 12.082 5.332 1.00 0.00 H new ATOM 0 HA GLU A 68 1.208 11.074 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.707 13.421 2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.537 13.038 4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.132 14.197 3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.755 15.246 3.714 1.00 0.00 H new ATOM 1118 N PHE A 69 4.237 11.680 2.597 1.00 0.00 N ATOM 1119 CA PHE A 69 5.293 11.716 1.592 1.00 0.00 C ATOM 1120 C PHE A 69 5.860 10.319 1.350 1.00 0.00 C ATOM 1121 O PHE A 69 6.667 10.114 0.443 1.00 0.00 O ATOM 1122 CB PHE A 69 6.408 12.674 2.020 1.00 0.00 C ATOM 1123 CG PHE A 69 5.949 14.091 2.210 1.00 0.00 C ATOM 1124 CD1 PHE A 69 5.536 14.853 1.128 1.00 0.00 C ATOM 1125 CD2 PHE A 69 5.928 14.665 3.473 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.115 16.157 1.301 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.507 15.970 3.649 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.101 16.716 2.563 1.00 0.00 C ATOM 0 H PHE A 69 4.557 11.447 3.537 1.00 0.00 H new ATOM 0 HA PHE A 69 4.861 12.077 0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.845 12.315 2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.198 12.655 1.270 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.544 14.422 0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.244 14.086 4.328 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.797 16.739 0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.496 16.405 4.637 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.773 17.736 2.699 1.00 0.00 H new ATOM 1138 N SER A 70 5.433 9.365 2.169 1.00 0.00 N ATOM 1139 CA SER A 70 5.960 8.006 2.100 1.00 0.00 C ATOM 1140 C SER A 70 5.566 7.337 0.786 1.00 0.00 C ATOM 1141 O SER A 70 4.489 7.590 0.248 1.00 0.00 O ATOM 1142 CB SER A 70 5.464 7.192 3.280 1.00 0.00 C ATOM 1143 OG SER A 70 6.059 7.593 4.483 1.00 0.00 O ATOM 0 H SER A 70 4.724 9.507 2.888 1.00 0.00 H new ATOM 0 HA SER A 70 7.048 8.056 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.382 7.293 3.360 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.674 6.137 3.106 1.00 0.00 H new ATOM 0 HG SER A 70 6.603 6.860 4.839 1.00 0.00 H new ATOM 1149 N GLU A 71 6.449 6.483 0.276 1.00 0.00 N ATOM 1150 CA GLU A 71 6.150 5.697 -0.915 1.00 0.00 C ATOM 1151 C GLU A 71 6.165 4.204 -0.598 1.00 0.00 C ATOM 1152 O GLU A 71 7.115 3.696 0.000 1.00 0.00 O ATOM 1153 CB GLU A 71 7.149 6.011 -2.030 1.00 0.00 C ATOM 1154 CG GLU A 71 6.955 5.191 -3.297 1.00 0.00 C ATOM 1155 CD GLU A 71 7.952 5.576 -4.355 1.00 0.00 C ATOM 1156 OE1 GLU A 71 8.803 6.385 -4.076 1.00 0.00 O ATOM 1157 OE2 GLU A 71 7.932 4.980 -5.407 1.00 0.00 O ATOM 0 H GLU A 71 7.376 6.318 0.669 1.00 0.00 H new ATOM 0 HA GLU A 71 5.150 5.966 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.074 7.069 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.159 5.844 -1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.058 4.131 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.944 5.338 -3.677 1.00 0.00 H new ATOM 1164 N ILE A 72 5.108 3.510 -1.002 1.00 0.00 N ATOM 1165 CA ILE A 72 4.944 2.100 -0.663 1.00 0.00 C ATOM 1166 C ILE A 72 4.932 1.231 -1.916 1.00 0.00 C ATOM 1167 O ILE A 72 4.240 1.533 -2.889 1.00 0.00 O ATOM 1168 CB ILE A 72 3.649 1.857 0.132 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.630 2.719 1.397 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.510 0.384 0.485 1.00 0.00 C ATOM 1171 CD1 ILE A 72 2.318 2.671 2.148 1.00 0.00 C ATOM 0 H ILE A 72 4.351 3.899 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 72 5.796 1.824 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 72 2.801 2.141 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.430 2.392 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.845 3.752 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.589 0.230 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.480 -0.208 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.361 0.073 1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.381 3.306 3.032 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.516 3.027 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.110 1.645 2.452 1.00 0.00 H new ATOM 1183 N VAL A 73 5.702 0.149 -1.885 1.00 0.00 N ATOM 1184 CA VAL A 73 6.034 -0.590 -3.098 1.00 0.00 C ATOM 1185 C VAL A 73 5.341 -1.947 -3.122 1.00 0.00 C ATOM 1186 O VAL A 73 5.259 -2.633 -2.104 1.00 0.00 O ATOM 1187 CB VAL A 73 7.554 -0.796 -3.238 1.00 0.00 C ATOM 1188 CG1 VAL A 73 7.876 -1.525 -4.534 1.00 0.00 C ATOM 1189 CG2 VAL A 73 8.280 0.539 -3.186 1.00 0.00 C ATOM 0 H VAL A 73 6.108 -0.236 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 73 5.681 0.009 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 73 7.896 -1.408 -2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.954 -1.662 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.385 -2.498 -4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.519 -0.938 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.353 0.374 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.933 1.174 -4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.076 1.027 -2.233 1.00 0.00 H new ATOM 1199 N VAL A 74 4.841 -2.330 -4.293 1.00 0.00 N ATOM 1200 CA VAL A 74 4.089 -3.571 -4.434 1.00 0.00 C ATOM 1201 C VAL A 74 4.871 -4.599 -5.245 1.00 0.00 C ATOM 1202 O VAL A 74 5.397 -4.291 -6.315 1.00 0.00 O ATOM 1203 CB VAL A 74 2.723 -3.331 -5.106 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.971 -4.643 -5.267 1.00 0.00 C ATOM 1205 CG2 VAL A 74 1.898 -2.341 -4.298 1.00 0.00 C ATOM 0 H VAL A 74 4.943 -1.798 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 74 3.925 -3.956 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 74 2.896 -2.909 -6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.009 -4.455 -5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.555 -5.324 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.809 -5.092 -4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.937 -2.184 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.734 -2.736 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.431 -1.392 -4.231 1.00 0.00 H new ATOM 1215 N PHE A 75 4.941 -5.821 -4.728 1.00 0.00 N ATOM 1216 CA PHE A 75 5.525 -6.932 -5.472 1.00 0.00 C ATOM 1217 C PHE A 75 4.437 -7.856 -6.011 1.00 0.00 C ATOM 1218 O PHE A 75 3.526 -8.253 -5.283 1.00 0.00 O ATOM 1219 CB PHE A 75 6.496 -7.717 -4.588 1.00 0.00 C ATOM 1220 CG PHE A 75 7.089 -8.922 -5.262 1.00 0.00 C ATOM 1221 CD1 PHE A 75 8.123 -8.785 -6.176 1.00 0.00 C ATOM 1222 CD2 PHE A 75 6.614 -10.194 -4.982 1.00 0.00 C ATOM 1223 CE1 PHE A 75 8.669 -9.892 -6.796 1.00 0.00 C ATOM 1224 CE2 PHE A 75 7.158 -11.304 -5.599 1.00 0.00 C ATOM 1225 CZ PHE A 75 8.187 -11.153 -6.508 1.00 0.00 C ATOM 0 H PHE A 75 4.601 -6.067 -3.798 1.00 0.00 H new ATOM 0 HA PHE A 75 6.076 -6.521 -6.318 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.302 -7.055 -4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.975 -8.036 -3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.506 -7.802 -6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.809 -10.319 -4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.473 -9.771 -7.506 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.779 -12.289 -5.371 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.613 -12.019 -6.992 1.00 0.00 H new ATOM 1235 N LEU A 76 4.539 -8.196 -7.291 1.00 0.00 N ATOM 1236 CA LEU A 76 3.462 -8.891 -7.986 1.00 0.00 C ATOM 1237 C LEU A 76 3.770 -10.378 -8.121 1.00 0.00 C ATOM 1238 O LEU A 76 4.855 -10.762 -8.560 1.00 0.00 O ATOM 1239 CB LEU A 76 3.229 -8.266 -9.367 1.00 0.00 C ATOM 1240 CG LEU A 76 2.707 -6.824 -9.352 1.00 0.00 C ATOM 1241 CD1 LEU A 76 2.607 -6.289 -10.774 1.00 0.00 C ATOM 1242 CD2 LEU A 76 1.350 -6.783 -8.663 1.00 0.00 C ATOM 0 H LEU A 76 5.357 -8.002 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 76 2.552 -8.786 -7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.167 -8.290 -9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.519 -8.887 -9.914 1.00 0.00 H new ATOM 0 HG LEU A 76 3.401 -6.191 -8.799 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.235 -5.265 -10.752 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.592 -6.308 -11.240 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.922 -6.911 -11.350 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.978 -5.758 -8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.648 -7.418 -9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.451 -7.143 -7.639 1.00 0.00 H new ATOM 1254 N LYS A 77 2.809 -11.215 -7.743 1.00 0.00 N ATOM 1255 CA LYS A 77 2.847 -12.631 -8.088 1.00 0.00 C ATOM 1256 C LYS A 77 3.030 -12.819 -9.591 1.00 0.00 C ATOM 1257 O LYS A 77 2.297 -12.241 -10.392 1.00 0.00 O ATOM 1258 CB LYS A 77 1.570 -13.332 -7.620 1.00 0.00 C ATOM 1259 CG LYS A 77 1.547 -14.833 -7.873 1.00 0.00 C ATOM 1260 CD LYS A 77 2.575 -15.554 -7.013 1.00 0.00 C ATOM 1261 CE LYS A 77 2.525 -17.059 -7.233 1.00 0.00 C ATOM 1262 NZ LYS A 77 3.541 -17.776 -6.417 1.00 0.00 N ATOM 0 H LYS A 77 1.994 -10.936 -7.197 1.00 0.00 H new ATOM 0 HA LYS A 77 3.700 -13.080 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.443 -13.154 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.716 -12.878 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.552 -15.225 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.748 -15.030 -8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.573 -15.183 -7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.392 -15.332 -5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.531 -17.429 -6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.689 -17.277 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.473 -18.798 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.492 -17.442 -6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.370 -17.590 -5.408 1.00 0.00 H new ATOM 1276 N SER A 78 4.010 -13.634 -9.964 1.00 0.00 N ATOM 1277 CA SER A 78 4.470 -13.693 -11.347 1.00 0.00 C ATOM 1278 C SER A 78 3.591 -14.627 -12.172 1.00 0.00 C ATOM 1279 O SER A 78 2.822 -15.418 -11.625 1.00 0.00 O ATOM 1280 CB SER A 78 5.918 -14.142 -11.398 1.00 0.00 C ATOM 1281 OG SER A 78 6.072 -15.470 -10.977 1.00 0.00 O ATOM 0 H SER A 78 4.501 -14.263 -9.329 1.00 0.00 H new ATOM 0 HA SER A 78 4.398 -12.694 -11.777 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.294 -14.039 -12.416 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.522 -13.490 -10.767 1.00 0.00 H new ATOM 0 HG SER A 78 7.018 -15.721 -11.026 1.00 0.00 H new ATOM 1287 N ILE A 79 3.711 -14.529 -13.493 1.00 0.00 N ATOM 1288 CA ILE A 79 2.936 -15.373 -14.394 1.00 0.00 C ATOM 1289 C ILE A 79 1.439 -15.207 -14.153 1.00 0.00 C ATOM 1290 O ILE A 79 0.697 -16.186 -14.097 1.00 0.00 O ATOM 1291 CB ILE A 79 3.312 -16.858 -14.239 1.00 0.00 C ATOM 1292 CG1 ILE A 79 4.830 -17.038 -14.339 1.00 0.00 C ATOM 1293 CG2 ILE A 79 2.603 -17.699 -15.289 1.00 0.00 C ATOM 1294 CD1 ILE A 79 5.276 -18.481 -14.311 1.00 0.00 C ATOM 0 H ILE A 79 4.337 -13.874 -13.962 1.00 0.00 H new ATOM 0 HA ILE A 79 3.174 -15.053 -15.408 1.00 0.00 H new ATOM 0 HB ILE A 79 2.989 -17.196 -13.254 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.181 -16.577 -15.262 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.305 -16.505 -13.515 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.880 -18.746 -15.165 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.524 -17.593 -15.173 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.895 -17.362 -16.283 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.362 -18.528 -14.386 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.957 -18.942 -13.377 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.831 -19.016 -15.150 1.00 0.00 H new ATOM 1306 N ASN A 80 1.002 -13.960 -14.013 1.00 0.00 N ATOM 1307 CA ASN A 80 -0.413 -13.660 -13.840 1.00 0.00 C ATOM 1308 C ASN A 80 -1.036 -13.193 -15.152 1.00 0.00 C ATOM 1309 O ASN A 80 -0.413 -13.281 -16.210 1.00 0.00 O ATOM 1310 CB ASN A 80 -0.634 -12.623 -12.754 1.00 0.00 C ATOM 1311 CG ASN A 80 -0.066 -11.271 -13.084 1.00 0.00 C ATOM 1312 OD1 ASN A 80 0.344 -11.008 -14.220 1.00 0.00 O ATOM 1313 ND2 ASN A 80 0.035 -10.440 -12.078 1.00 0.00 N ATOM 0 H ASN A 80 1.609 -13.140 -14.016 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.904 -14.582 -13.530 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.704 -12.523 -12.572 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.185 -12.979 -11.827 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.468 -9.527 -12.213 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.320 -10.706 -11.159 1.00 0.00 H new ATOM 1320 N ARG A 81 -2.265 -12.697 -15.075 1.00 0.00 N ATOM 1321 CA ARG A 81 -2.961 -12.192 -16.252 1.00 0.00 C ATOM 1322 C ARG A 81 -3.819 -10.980 -15.898 1.00 0.00 C ATOM 1323 O ARG A 81 -4.596 -11.013 -14.945 1.00 0.00 O ATOM 1324 CB ARG A 81 -3.777 -13.272 -16.946 1.00 0.00 C ATOM 1325 CG ARG A 81 -4.445 -12.836 -18.242 1.00 0.00 C ATOM 1326 CD ARG A 81 -5.195 -13.914 -18.935 1.00 0.00 C ATOM 1327 NE ARG A 81 -5.904 -13.482 -20.130 1.00 0.00 N ATOM 1328 CZ ARG A 81 -6.508 -14.311 -21.003 1.00 0.00 C ATOM 1329 NH1 ARG A 81 -6.462 -15.615 -20.842 1.00 0.00 N ATOM 1330 NH2 ARG A 81 -7.130 -13.779 -22.041 1.00 0.00 N ATOM 0 H ARG A 81 -2.800 -12.634 -14.209 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.202 -11.871 -16.965 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.125 -14.120 -17.157 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.546 -13.624 -16.258 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.128 -12.015 -18.027 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.683 -12.448 -18.917 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.498 -14.707 -19.208 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.913 -14.346 -18.238 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.947 -12.481 -20.320 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.963 -16.013 -20.046 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.925 -16.228 -21.513 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.143 -12.766 -22.164 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.597 -14.381 -22.719 1.00 0.00 H new ATOM 1344 N ALA A 82 -3.669 -9.910 -16.673 1.00 0.00 N ATOM 1345 CA ALA A 82 -4.398 -8.673 -16.418 1.00 0.00 C ATOM 1346 C ALA A 82 -4.481 -7.816 -17.675 1.00 0.00 C ATOM 1347 O ALA A 82 -3.720 -8.009 -18.624 1.00 0.00 O ATOM 1348 CB ALA A 82 -3.739 -7.896 -15.288 1.00 0.00 C ATOM 0 H ALA A 82 -3.049 -9.875 -17.482 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.414 -8.933 -16.121 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.293 -6.975 -15.108 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.738 -8.502 -14.382 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.713 -7.654 -15.563 1.00 0.00 H new ATOM 1354 N LYS A 83 -5.412 -6.868 -17.678 1.00 0.00 N ATOM 1355 CA LYS A 83 -5.574 -5.957 -18.806 1.00 0.00 C ATOM 1356 C LYS A 83 -4.869 -4.630 -18.539 1.00 0.00 C ATOM 1357 O LYS A 83 -4.597 -4.281 -17.391 1.00 0.00 O ATOM 1358 CB LYS A 83 -7.056 -5.719 -19.096 1.00 0.00 C ATOM 1359 CG LYS A 83 -7.823 -6.966 -19.517 1.00 0.00 C ATOM 1360 CD LYS A 83 -9.276 -6.644 -19.827 1.00 0.00 C ATOM 1361 CE LYS A 83 -10.031 -7.880 -20.295 1.00 0.00 C ATOM 1362 NZ LYS A 83 -11.444 -7.570 -20.644 1.00 0.00 N ATOM 0 H LYS A 83 -6.066 -6.710 -16.912 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.117 -6.419 -19.681 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.526 -5.302 -18.205 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.144 -4.970 -19.883 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.351 -7.406 -20.395 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.775 -7.710 -18.722 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.758 -6.236 -18.938 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.323 -5.874 -20.597 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.528 -8.305 -21.163 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.009 -8.637 -19.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.923 -8.438 -20.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.932 -7.188 -19.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.466 -6.867 -21.410 1.00 0.00 H new ATOM 1376 N ASP A 84 -4.581 -3.895 -19.607 1.00 0.00 N ATOM 1377 CA ASP A 84 -3.872 -2.625 -19.492 1.00 0.00 C ATOM 1378 C ASP A 84 -4.846 -1.484 -19.212 1.00 0.00 C ATOM 1379 O ASP A 84 -5.120 -0.693 -20.112 1.00 0.00 O ATOM 1380 CB ASP A 84 -3.073 -2.338 -20.765 1.00 0.00 C ATOM 1381 CG ASP A 84 -2.201 -1.091 -20.693 1.00 0.00 C ATOM 1382 OD1 ASP A 84 -2.253 -0.411 -19.696 1.00 0.00 O ATOM 1383 OD2 ASP A 84 -1.380 -0.915 -21.561 1.00 0.00 O ATOM 1384 OXT ASP A 84 -5.333 -1.366 -18.122 1.00 0.00 O ATOM 0 H ASP A 84 -4.827 -4.156 -20.562 1.00 0.00 H new ATOM 0 HA ASP A 84 -3.179 -2.700 -18.654 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -2.439 -3.198 -20.983 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.767 -2.234 -21.599 1.00 0.00 H new TER 1389 ASP A 84