USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=21 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 40 THR OG1 : rot -69:sc= 0.594 USER MOD Set 1.2: A 78 SER OG : rot 176:sc= 0.66 USER MOD Set 2.1: A 26 THR OG1 : rot -170:sc= 0.697 USER MOD Set 2.2: A 28 SER OG : rot -60:sc= 0.783 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= 0.92 (180deg=0.918) USER MOD Single : A 7 HIS : no HD1:sc= 0.457 K(o=0.46,f=-2!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 1.07 (180deg=0.883) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -68:sc= 0.779 USER MOD Single : A 29 SER OG : rot 165:sc= 0.877 USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 1.55 (180deg=1.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.938 K(o=0.94,f=-2.9!) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -131:sc= -0.0283 (180deg=-1.5) USER MOD Single : A 46 GLN : amide:sc= 0.874 K(o=0.87,f=-0.011) USER MOD Single : A 48 TYR OH : rot 165:sc= 0.62 USER MOD Single : A 49 TYR OH : rot 119:sc= 0.945 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= -0.883 K(o=-0.88,f=-13!) USER MOD Single : A 62 ASN : amide:sc= -0.0483 K(o=-0.048,f=-1.9!) USER MOD Single : A 64 TYR OH : rot 31:sc= -1.41 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 70 SER OG : rot 59:sc= 0.875 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc=-0.00603 K(o=-0.006,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.889 20.974 2.275 1.00 0.00 N ATOM 2 CA ALA A 1 -10.025 21.006 3.448 1.00 0.00 C ATOM 3 C ALA A 1 -9.483 19.617 3.770 1.00 0.00 C ATOM 4 O ALA A 1 -10.248 18.683 4.011 1.00 0.00 O ATOM 5 CB ALA A 1 -10.777 21.572 4.644 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.244 21.932 2.079 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.349 20.630 1.455 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.692 20.337 2.453 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.178 21.655 3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.119 21.590 5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.108 22.586 4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.644 20.946 4.858 1.00 0.00 H new ATOM 11 N ALA A 2 -8.161 19.488 3.770 1.00 0.00 N ATOM 12 CA ALA A 2 -7.518 18.217 4.079 1.00 0.00 C ATOM 13 C ALA A 2 -7.303 18.061 5.581 1.00 0.00 C ATOM 14 O ALA A 2 -6.451 18.728 6.169 1.00 0.00 O ATOM 15 CB ALA A 2 -6.193 18.102 3.340 1.00 0.00 C ATOM 0 H ALA A 2 -7.514 20.248 3.559 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.177 17.415 3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.724 17.148 3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.369 18.159 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.535 18.916 3.644 1.00 0.00 H new ATOM 21 N VAL A 3 -8.081 17.177 6.197 1.00 0.00 N ATOM 22 CA VAL A 3 -7.998 16.957 7.636 1.00 0.00 C ATOM 23 C VAL A 3 -7.779 15.482 7.954 1.00 0.00 C ATOM 24 O VAL A 3 -8.678 14.659 7.788 1.00 0.00 O ATOM 25 CB VAL A 3 -9.267 17.446 8.358 1.00 0.00 C ATOM 26 CG1 VAL A 3 -9.162 17.188 9.854 1.00 0.00 C ATOM 27 CG2 VAL A 3 -9.497 18.925 8.088 1.00 0.00 C ATOM 0 H VAL A 3 -8.776 16.601 5.722 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.145 17.534 7.994 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.120 16.888 7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.067 17.540 10.348 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.044 16.119 10.031 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.299 17.720 10.255 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.398 19.254 8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.642 19.498 8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.616 19.085 7.016 1.00 0.00 H new ATOM 37 N ARG A 4 -6.574 15.155 8.415 1.00 0.00 N ATOM 38 CA ARG A 4 -6.237 13.779 8.760 1.00 0.00 C ATOM 39 C ARG A 4 -6.259 12.887 7.523 1.00 0.00 C ATOM 40 O ARG A 4 -6.478 11.678 7.620 1.00 0.00 O ATOM 41 CB ARG A 4 -7.128 13.228 9.863 1.00 0.00 C ATOM 42 CG ARG A 4 -7.068 13.991 11.177 1.00 0.00 C ATOM 43 CD ARG A 4 -8.031 13.521 12.204 1.00 0.00 C ATOM 44 NE ARG A 4 -8.093 14.349 13.398 1.00 0.00 N ATOM 45 CZ ARG A 4 -8.915 14.127 14.442 1.00 0.00 C ATOM 46 NH1 ARG A 4 -9.772 13.130 14.429 1.00 0.00 N ATOM 47 NH2 ARG A 4 -8.855 14.955 15.470 1.00 0.00 N ATOM 0 H ARG A 4 -5.817 15.824 8.558 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.221 13.783 9.154 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.159 13.224 9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.851 12.190 10.049 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.059 13.915 11.581 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.253 15.047 10.979 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.024 13.474 11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.765 12.505 12.495 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.470 15.155 13.449 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.822 12.511 13.620 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.387 12.976 15.228 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.199 15.736 15.458 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.465 14.813 16.275 1.00 0.00 H new ATOM 61 N LYS A 5 -6.031 13.489 6.361 1.00 0.00 N ATOM 62 CA LYS A 5 -5.892 12.735 5.121 1.00 0.00 C ATOM 63 C LYS A 5 -4.434 12.679 4.680 1.00 0.00 C ATOM 64 O LYS A 5 -3.671 13.620 4.899 1.00 0.00 O ATOM 65 CB LYS A 5 -6.755 13.350 4.018 1.00 0.00 C ATOM 66 CG LYS A 5 -8.242 13.413 4.343 1.00 0.00 C ATOM 67 CD LYS A 5 -8.848 12.020 4.429 1.00 0.00 C ATOM 68 CE LYS A 5 -10.362 12.083 4.572 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.959 10.733 4.761 1.00 0.00 N ATOM 0 H LYS A 5 -5.938 14.499 6.252 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.235 11.717 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.397 14.359 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.620 12.773 3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.388 13.935 5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.760 13.991 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.588 11.452 3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.422 11.488 5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.620 12.716 5.421 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.791 12.549 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.987 10.823 4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.763 10.147 3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.544 10.285 5.603 1.00 0.00 H new ATOM 83 N ILE A 6 -4.052 11.570 4.054 1.00 0.00 N ATOM 84 CA ILE A 6 -2.716 11.432 3.489 1.00 0.00 C ATOM 85 C ILE A 6 -2.766 10.779 2.111 1.00 0.00 C ATOM 86 O ILE A 6 -3.696 10.036 1.798 1.00 0.00 O ATOM 87 CB ILE A 6 -1.796 10.607 4.407 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.427 9.246 4.710 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.512 11.364 5.694 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.516 8.304 5.464 1.00 0.00 C ATOM 0 H ILE A 6 -4.650 10.754 3.926 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.308 12.439 3.395 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.850 10.441 3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.337 9.399 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.723 8.777 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.860 10.766 6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.023 12.309 5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.449 11.560 6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.034 7.361 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.617 8.119 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.240 8.751 6.419 1.00 0.00 H new ATOM 102 N HIS A 7 -1.758 11.062 1.293 1.00 0.00 N ATOM 103 CA HIS A 7 -1.580 10.356 0.028 1.00 0.00 C ATOM 104 C HIS A 7 -0.330 9.484 0.063 1.00 0.00 C ATOM 105 O HIS A 7 0.703 9.882 0.604 1.00 0.00 O ATOM 106 CB HIS A 7 -1.500 11.344 -1.139 1.00 0.00 C ATOM 107 CG HIS A 7 -2.746 12.152 -1.331 1.00 0.00 C ATOM 108 ND1 HIS A 7 -3.013 13.292 -0.602 1.00 0.00 N ATOM 109 CD2 HIS A 7 -3.797 11.984 -2.168 1.00 0.00 C ATOM 110 CE1 HIS A 7 -4.175 13.791 -0.983 1.00 0.00 C ATOM 111 NE2 HIS A 7 -4.671 13.017 -1.931 1.00 0.00 N ATOM 0 H HIS A 7 -1.053 11.774 1.482 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.447 9.712 -0.119 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.661 12.020 -0.974 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.290 10.793 -2.056 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -3.924 11.188 -2.887 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.641 14.681 -0.586 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.560 13.163 -2.410 1.00 0.00 H new ATOM 118 N VAL A 8 -0.428 8.292 -0.517 1.00 0.00 N ATOM 119 CA VAL A 8 0.687 7.351 -0.527 1.00 0.00 C ATOM 120 C VAL A 8 1.158 7.074 -1.950 1.00 0.00 C ATOM 121 O VAL A 8 0.349 6.850 -2.852 1.00 0.00 O ATOM 122 CB VAL A 8 0.310 6.019 0.148 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.487 5.056 0.119 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.148 6.258 1.578 1.00 0.00 C ATOM 0 H VAL A 8 -1.268 7.955 -0.986 1.00 0.00 H new ATOM 0 HA VAL A 8 1.496 7.815 0.037 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.515 5.572 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.203 4.120 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.772 4.861 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.330 5.496 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.410 5.306 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.657 6.726 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.019 6.913 1.576 1.00 0.00 H new ATOM 134 N THR A 9 2.472 7.092 -2.147 1.00 0.00 N ATOM 135 CA THR A 9 3.051 6.879 -3.466 1.00 0.00 C ATOM 136 C THR A 9 3.238 5.392 -3.752 1.00 0.00 C ATOM 137 O THR A 9 3.982 4.704 -3.052 1.00 0.00 O ATOM 138 CB THR A 9 4.407 7.594 -3.611 1.00 0.00 C ATOM 139 OG1 THR A 9 4.226 9.005 -3.442 1.00 0.00 O ATOM 140 CG2 THR A 9 5.009 7.325 -4.981 1.00 0.00 C ATOM 0 H THR A 9 3.156 7.252 -1.408 1.00 0.00 H new ATOM 0 HA THR A 9 2.351 7.300 -4.188 1.00 0.00 H new ATOM 0 HB THR A 9 5.085 7.213 -2.847 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.090 9.459 -3.533 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.967 7.838 -5.065 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.160 6.253 -5.108 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.333 7.690 -5.754 1.00 0.00 H new ATOM 148 N VAL A 10 2.558 4.902 -4.783 1.00 0.00 N ATOM 149 CA VAL A 10 2.616 3.489 -5.135 1.00 0.00 C ATOM 150 C VAL A 10 3.635 3.239 -6.241 1.00 0.00 C ATOM 151 O VAL A 10 3.471 3.706 -7.369 1.00 0.00 O ATOM 152 CB VAL A 10 1.242 2.961 -5.586 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.317 1.474 -5.894 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.191 3.231 -4.520 1.00 0.00 C ATOM 0 H VAL A 10 1.960 5.463 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 10 2.921 2.954 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 10 0.953 3.487 -6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.337 1.118 -6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.040 1.304 -6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.628 0.933 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.774 2.851 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.475 2.731 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.117 4.304 -4.345 1.00 0.00 H new ATOM 164 N LYS A 11 4.688 2.497 -5.912 1.00 0.00 N ATOM 165 CA LYS A 11 5.768 2.239 -6.858 1.00 0.00 C ATOM 166 C LYS A 11 5.702 0.808 -7.380 1.00 0.00 C ATOM 167 O LYS A 11 5.888 -0.148 -6.628 1.00 0.00 O ATOM 168 CB LYS A 11 7.126 2.502 -6.206 1.00 0.00 C ATOM 169 CG LYS A 11 7.346 3.944 -5.769 1.00 0.00 C ATOM 170 CD LYS A 11 8.732 4.137 -5.172 1.00 0.00 C ATOM 171 CE LYS A 11 8.928 5.560 -4.673 1.00 0.00 C ATOM 172 NZ LYS A 11 10.312 5.791 -4.178 1.00 0.00 N ATOM 0 H LYS A 11 4.816 2.064 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 11 5.648 2.918 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.230 1.852 -5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.912 2.224 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.221 4.608 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.590 4.223 -5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.875 3.438 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.488 3.905 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.710 6.260 -5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.218 5.764 -3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.355 6.703 -3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.579 5.027 -3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.971 5.805 -4.983 1.00 0.00 H new ATOM 186 N PHE A 12 5.439 0.668 -8.676 1.00 0.00 N ATOM 187 CA PHE A 12 5.736 -0.571 -9.387 1.00 0.00 C ATOM 188 C PHE A 12 6.970 -0.410 -10.268 1.00 0.00 C ATOM 189 O PHE A 12 7.369 0.699 -10.625 1.00 0.00 O ATOM 190 CB PHE A 12 4.536 -1.005 -10.231 1.00 0.00 C ATOM 191 CG PHE A 12 3.347 -1.435 -9.419 1.00 0.00 C ATOM 192 CD1 PHE A 12 3.230 -2.743 -8.974 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.345 -0.532 -9.098 1.00 0.00 C ATOM 194 CE1 PHE A 12 2.137 -3.140 -8.228 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.252 -0.926 -8.350 1.00 0.00 C ATOM 196 CZ PHE A 12 1.147 -2.230 -7.916 1.00 0.00 C ATOM 0 H PHE A 12 5.021 1.397 -9.255 1.00 0.00 H new ATOM 0 HA PHE A 12 5.942 -1.344 -8.647 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.242 -0.180 -10.879 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.838 -1.828 -10.879 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.002 -3.459 -9.213 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.420 0.491 -9.436 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.057 -4.162 -7.889 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.480 -0.212 -8.105 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.292 -2.539 -7.333 1.00 0.00 H new ATOM 206 N PRO A 13 7.592 -1.542 -10.628 1.00 0.00 N ATOM 207 CA PRO A 13 8.789 -1.554 -11.476 1.00 0.00 C ATOM 208 C PRO A 13 8.528 -0.954 -12.852 1.00 0.00 C ATOM 209 O PRO A 13 9.447 -0.466 -13.510 1.00 0.00 O ATOM 210 CB PRO A 13 9.163 -3.037 -11.564 1.00 0.00 C ATOM 211 CG PRO A 13 7.909 -3.760 -11.210 1.00 0.00 C ATOM 212 CD PRO A 13 7.230 -2.899 -10.177 1.00 0.00 C ATOM 0 HA PRO A 13 9.591 -0.943 -11.063 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.505 -3.301 -12.565 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.971 -3.284 -10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.274 -3.898 -12.085 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.126 -4.752 -10.814 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.151 -3.051 -10.164 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.593 -3.105 -9.170 1.00 0.00 H new ATOM 220 N SER A 14 7.270 -0.993 -13.282 1.00 0.00 N ATOM 221 CA SER A 14 6.913 -0.583 -14.634 1.00 0.00 C ATOM 222 C SER A 14 5.968 0.614 -14.607 1.00 0.00 C ATOM 223 O SER A 14 5.738 1.263 -15.628 1.00 0.00 O ATOM 224 CB SER A 14 6.281 -1.741 -15.383 1.00 0.00 C ATOM 225 OG SER A 14 5.088 -2.166 -14.783 1.00 0.00 O ATOM 0 H SER A 14 6.482 -1.304 -12.713 1.00 0.00 H new ATOM 0 HA SER A 14 7.823 -0.284 -15.154 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.083 -1.442 -16.412 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.983 -2.574 -15.423 1.00 0.00 H new ATOM 0 HG SER A 14 4.711 -2.911 -15.296 1.00 0.00 H new ATOM 231 N LYS A 15 5.424 0.904 -13.429 1.00 0.00 N ATOM 232 CA LYS A 15 4.412 1.944 -13.288 1.00 0.00 C ATOM 233 C LYS A 15 4.466 2.569 -11.898 1.00 0.00 C ATOM 234 O LYS A 15 4.861 1.919 -10.930 1.00 0.00 O ATOM 235 CB LYS A 15 3.018 1.377 -13.559 1.00 0.00 C ATOM 236 CG LYS A 15 1.902 2.415 -13.541 1.00 0.00 C ATOM 237 CD LYS A 15 0.576 1.809 -13.977 1.00 0.00 C ATOM 238 CE LYS A 15 -0.530 2.854 -13.996 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.844 2.265 -14.369 1.00 0.00 N ATOM 0 H LYS A 15 5.668 0.433 -12.558 1.00 0.00 H new ATOM 0 HA LYS A 15 4.622 2.721 -14.023 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.023 0.883 -14.531 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.799 0.612 -12.814 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.803 2.828 -12.537 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.161 3.242 -14.202 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.683 1.371 -14.970 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.303 1.000 -13.299 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.607 3.319 -13.013 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.272 3.643 -14.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.570 3.009 -14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.779 1.843 -15.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.103 1.530 -13.680 1.00 0.00 H new ATOM 253 N GLN A 16 4.063 3.833 -11.807 1.00 0.00 N ATOM 254 CA GLN A 16 3.886 4.486 -10.515 1.00 0.00 C ATOM 255 C GLN A 16 2.627 5.346 -10.509 1.00 0.00 C ATOM 256 O GLN A 16 2.222 5.882 -11.541 1.00 0.00 O ATOM 257 CB GLN A 16 5.105 5.349 -10.177 1.00 0.00 C ATOM 258 CG GLN A 16 6.398 4.567 -10.019 1.00 0.00 C ATOM 259 CD GLN A 16 7.557 5.445 -9.588 1.00 0.00 C ATOM 260 OE1 GLN A 16 7.390 6.643 -9.347 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.742 4.852 -9.490 1.00 0.00 N ATOM 0 H GLN A 16 3.853 4.424 -12.611 1.00 0.00 H new ATOM 0 HA GLN A 16 3.781 3.708 -9.759 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.238 6.094 -10.962 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.907 5.892 -9.253 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.253 3.775 -9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.644 4.083 -10.964 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.834 3.858 -9.699 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.560 5.391 -9.206 1.00 0.00 H new ATOM 270 N PHE A 17 2.010 5.475 -9.339 1.00 0.00 N ATOM 271 CA PHE A 17 0.828 6.316 -9.186 1.00 0.00 C ATOM 272 C PHE A 17 0.540 6.587 -7.712 1.00 0.00 C ATOM 273 O PHE A 17 1.075 5.917 -6.829 1.00 0.00 O ATOM 274 CB PHE A 17 -0.385 5.659 -9.848 1.00 0.00 C ATOM 275 CG PHE A 17 -0.710 4.296 -9.307 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.544 4.151 -8.209 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.181 3.157 -9.894 1.00 0.00 C ATOM 278 CE1 PHE A 17 -1.843 2.898 -7.709 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.478 1.902 -9.397 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.310 1.773 -8.304 1.00 0.00 C ATOM 0 H PHE A 17 2.309 5.008 -8.483 1.00 0.00 H new ATOM 0 HA PHE A 17 1.025 7.268 -9.678 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.252 6.307 -9.719 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.203 5.580 -10.920 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.965 5.028 -7.739 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.471 3.251 -10.750 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.494 2.799 -6.853 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.059 1.023 -9.864 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.544 0.793 -7.915 1.00 0.00 H new ATOM 290 N THR A 18 -0.309 7.577 -7.454 1.00 0.00 N ATOM 291 CA THR A 18 -0.589 8.008 -6.090 1.00 0.00 C ATOM 292 C THR A 18 -2.009 7.643 -5.677 1.00 0.00 C ATOM 293 O THR A 18 -2.942 7.737 -6.476 1.00 0.00 O ATOM 294 CB THR A 18 -0.391 9.526 -5.926 1.00 0.00 C ATOM 295 OG1 THR A 18 0.961 9.873 -6.255 1.00 0.00 O ATOM 296 CG2 THR A 18 -0.685 9.951 -4.495 1.00 0.00 C ATOM 0 H THR A 18 -0.815 8.095 -8.172 1.00 0.00 H new ATOM 0 HA THR A 18 0.118 7.487 -5.445 1.00 0.00 H new ATOM 0 HB THR A 18 -1.079 10.041 -6.596 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.085 10.840 -6.152 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.540 11.027 -4.398 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.716 9.700 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.010 9.431 -3.815 1.00 0.00 H new ATOM 304 N VAL A 19 -2.169 7.224 -4.426 1.00 0.00 N ATOM 305 CA VAL A 19 -3.483 6.879 -3.897 1.00 0.00 C ATOM 306 C VAL A 19 -3.795 7.678 -2.636 1.00 0.00 C ATOM 307 O VAL A 19 -2.890 8.093 -1.914 1.00 0.00 O ATOM 308 CB VAL A 19 -3.588 5.376 -3.580 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.431 4.552 -4.850 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.540 4.972 -2.554 1.00 0.00 C ATOM 0 H VAL A 19 -1.405 7.115 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.209 7.128 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.575 5.182 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.508 3.492 -4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.216 4.820 -5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.457 4.753 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.630 3.906 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.545 5.181 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.693 5.538 -1.635 1.00 0.00 H new ATOM 320 N GLU A 20 -5.082 7.888 -2.379 1.00 0.00 N ATOM 321 CA GLU A 20 -5.511 8.710 -1.251 1.00 0.00 C ATOM 322 C GLU A 20 -6.128 7.847 -0.156 1.00 0.00 C ATOM 323 O GLU A 20 -7.067 7.088 -0.400 1.00 0.00 O ATOM 324 CB GLU A 20 -6.508 9.774 -1.712 1.00 0.00 C ATOM 325 CG GLU A 20 -6.944 10.742 -0.621 1.00 0.00 C ATOM 326 CD GLU A 20 -7.836 11.819 -1.169 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.410 12.524 -2.053 1.00 0.00 O ATOM 328 OE2 GLU A 20 -8.981 11.868 -0.787 1.00 0.00 O ATOM 0 H GLU A 20 -5.845 7.502 -2.935 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.633 9.209 -0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.063 10.342 -2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.391 9.277 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.469 10.196 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.065 11.194 -0.161 1.00 0.00 H new ATOM 335 N VAL A 21 -5.596 7.969 1.057 1.00 0.00 N ATOM 336 CA VAL A 21 -6.105 7.214 2.196 1.00 0.00 C ATOM 337 C VAL A 21 -6.213 8.095 3.434 1.00 0.00 C ATOM 338 O VAL A 21 -5.711 9.219 3.454 1.00 0.00 O ATOM 339 CB VAL A 21 -5.212 6.001 2.516 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.203 5.023 1.351 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.797 6.453 2.841 1.00 0.00 C ATOM 0 H VAL A 21 -4.812 8.584 1.276 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.097 6.857 1.919 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.622 5.493 3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.567 4.172 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.218 4.674 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.818 5.521 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.180 5.583 3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.379 6.984 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.816 7.116 3.706 1.00 0.00 H new ATOM 351 N ASP A 22 -6.872 7.580 4.465 1.00 0.00 N ATOM 352 CA ASP A 22 -7.014 8.304 5.723 1.00 0.00 C ATOM 353 C ASP A 22 -5.952 7.863 6.726 1.00 0.00 C ATOM 354 O ASP A 22 -5.477 6.729 6.683 1.00 0.00 O ATOM 355 CB ASP A 22 -8.412 8.097 6.310 1.00 0.00 C ATOM 356 CG ASP A 22 -8.785 9.082 7.410 1.00 0.00 C ATOM 357 OD1 ASP A 22 -8.230 8.988 8.479 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.501 10.012 7.127 1.00 0.00 O ATOM 0 H ASP A 22 -7.317 6.662 4.455 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.875 9.365 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.145 8.174 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.479 7.084 6.708 1.00 0.00 H new ATOM 363 N ARG A 23 -5.584 8.769 7.626 1.00 0.00 N ATOM 364 CA ARG A 23 -4.569 8.478 8.632 1.00 0.00 C ATOM 365 C ARG A 23 -5.032 7.361 9.564 1.00 0.00 C ATOM 366 O ARG A 23 -4.231 6.542 10.014 1.00 0.00 O ATOM 367 CB ARG A 23 -4.155 9.720 9.409 1.00 0.00 C ATOM 368 CG ARG A 23 -3.385 10.752 8.602 1.00 0.00 C ATOM 369 CD ARG A 23 -3.020 11.975 9.361 1.00 0.00 C ATOM 370 NE ARG A 23 -2.447 13.039 8.552 1.00 0.00 N ATOM 371 CZ ARG A 23 -2.181 14.281 8.999 1.00 0.00 C ATOM 372 NH1 ARG A 23 -2.470 14.635 10.232 1.00 0.00 N ATOM 373 NH2 ARG A 23 -1.646 15.147 8.155 1.00 0.00 N ATOM 0 H ARG A 23 -5.973 9.710 7.679 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.680 8.131 8.105 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.050 10.192 9.815 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.543 9.413 10.257 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.474 10.291 8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.984 11.040 7.738 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.910 12.356 9.861 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.307 11.704 10.140 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.231 12.830 7.577 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.903 13.964 10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.261 15.580 10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.446 14.867 7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.433 16.095 8.464 1.00 0.00 H new ATOM 387 N THR A 24 -6.331 7.335 9.849 1.00 0.00 N ATOM 388 CA THR A 24 -6.875 6.422 10.846 1.00 0.00 C ATOM 389 C THR A 24 -7.203 5.069 10.229 1.00 0.00 C ATOM 390 O THR A 24 -7.584 4.132 10.932 1.00 0.00 O ATOM 391 CB THR A 24 -8.143 6.995 11.506 1.00 0.00 C ATOM 392 OG1 THR A 24 -9.154 7.195 10.509 1.00 0.00 O ATOM 393 CG2 THR A 24 -7.838 8.320 12.186 1.00 0.00 C ATOM 0 H THR A 24 -7.025 7.936 9.403 1.00 0.00 H new ATOM 0 HA THR A 24 -6.107 6.295 11.609 1.00 0.00 H new ATOM 0 HB THR A 24 -8.496 6.287 12.256 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.880 7.917 9.905 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.746 8.710 12.647 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.078 8.169 12.953 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.471 9.032 11.447 1.00 0.00 H new ATOM 401 N GLU A 25 -7.052 4.970 8.912 1.00 0.00 N ATOM 402 CA GLU A 25 -7.367 3.739 8.197 1.00 0.00 C ATOM 403 C GLU A 25 -6.206 2.752 8.274 1.00 0.00 C ATOM 404 O GLU A 25 -5.060 3.140 8.511 1.00 0.00 O ATOM 405 CB GLU A 25 -7.709 4.039 6.735 1.00 0.00 C ATOM 406 CG GLU A 25 -9.102 4.613 6.522 1.00 0.00 C ATOM 407 CD GLU A 25 -10.163 3.574 6.756 1.00 0.00 C ATOM 408 OE1 GLU A 25 -9.821 2.424 6.898 1.00 0.00 O ATOM 409 OE2 GLU A 25 -11.304 3.942 6.906 1.00 0.00 O ATOM 0 H GLU A 25 -6.713 5.728 8.319 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.236 3.286 8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.975 4.741 6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.615 3.120 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.258 5.454 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.187 5.000 5.507 1.00 0.00 H new ATOM 416 N THR A 26 -6.509 1.472 8.076 1.00 0.00 N ATOM 417 CA THR A 26 -5.491 0.430 8.121 1.00 0.00 C ATOM 418 C THR A 26 -4.843 0.235 6.756 1.00 0.00 C ATOM 419 O THR A 26 -5.283 0.807 5.760 1.00 0.00 O ATOM 420 CB THR A 26 -6.079 -0.912 8.595 1.00 0.00 C ATOM 421 OG1 THR A 26 -7.064 -1.364 7.657 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.722 -0.758 9.965 1.00 0.00 C ATOM 0 H THR A 26 -7.451 1.133 7.883 1.00 0.00 H new ATOM 0 HA THR A 26 -4.736 0.758 8.835 1.00 0.00 H new ATOM 0 HB THR A 26 -5.272 -1.641 8.663 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.547 -2.129 8.033 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.132 -1.716 10.284 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.972 -0.427 10.684 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.523 -0.021 9.910 1.00 0.00 H new ATOM 430 N VAL A 27 -3.791 -0.578 6.716 1.00 0.00 N ATOM 431 CA VAL A 27 -3.050 -0.809 5.483 1.00 0.00 C ATOM 432 C VAL A 27 -3.908 -1.541 4.455 1.00 0.00 C ATOM 433 O VAL A 27 -3.673 -1.439 3.251 1.00 0.00 O ATOM 434 CB VAL A 27 -1.766 -1.620 5.739 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.821 -0.849 6.648 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.102 -2.973 6.348 1.00 0.00 C ATOM 0 H VAL A 27 -3.434 -1.087 7.524 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.776 0.171 5.091 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.268 -1.786 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.081 -1.437 6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.554 0.097 6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.312 -0.654 7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.183 -3.532 6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.622 -2.827 7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.742 -3.531 5.664 1.00 0.00 H new ATOM 446 N SER A 28 -4.901 -2.279 4.941 1.00 0.00 N ATOM 447 CA SER A 28 -5.782 -3.044 4.066 1.00 0.00 C ATOM 448 C SER A 28 -6.629 -2.115 3.201 1.00 0.00 C ATOM 449 O SER A 28 -7.010 -2.465 2.084 1.00 0.00 O ATOM 450 CB SER A 28 -6.669 -3.960 4.887 1.00 0.00 C ATOM 451 OG SER A 28 -7.625 -3.247 5.623 1.00 0.00 O ATOM 0 H SER A 28 -5.115 -2.363 5.935 1.00 0.00 H new ATOM 0 HA SER A 28 -5.165 -3.653 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.173 -4.665 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.052 -4.547 5.567 1.00 0.00 H new ATOM 0 HG SER A 28 -7.173 -2.627 6.232 1.00 0.00 H new ATOM 457 N SER A 29 -6.918 -0.929 3.724 1.00 0.00 N ATOM 458 CA SER A 29 -7.583 0.109 2.945 1.00 0.00 C ATOM 459 C SER A 29 -6.640 0.688 1.895 1.00 0.00 C ATOM 460 O SER A 29 -7.047 0.975 0.769 1.00 0.00 O ATOM 461 CB SER A 29 -8.095 1.204 3.861 1.00 0.00 C ATOM 462 OG SER A 29 -9.117 0.750 4.705 1.00 0.00 O ATOM 0 H SER A 29 -6.702 -0.662 4.685 1.00 0.00 H new ATOM 0 HA SER A 29 -8.431 -0.340 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.271 1.587 4.463 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.464 2.035 3.260 1.00 0.00 H new ATOM 0 HG SER A 29 -9.257 1.397 5.427 1.00 0.00 H new ATOM 468 N LEU A 30 -5.377 0.855 2.271 1.00 0.00 N ATOM 469 CA LEU A 30 -4.339 1.234 1.318 1.00 0.00 C ATOM 470 C LEU A 30 -4.169 0.165 0.245 1.00 0.00 C ATOM 471 O LEU A 30 -3.994 0.476 -0.934 1.00 0.00 O ATOM 472 CB LEU A 30 -3.011 1.476 2.048 1.00 0.00 C ATOM 473 CG LEU A 30 -1.829 1.852 1.144 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.133 3.144 0.397 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.572 1.999 1.986 1.00 0.00 C ATOM 0 H LEU A 30 -5.047 0.734 3.228 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.645 2.159 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.156 2.271 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.751 0.575 2.604 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.668 1.063 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.288 3.402 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.024 3.009 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.305 3.947 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.267 2.266 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.722 2.781 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.358 1.056 2.489 1.00 0.00 H new ATOM 487 N LYS A 31 -4.227 -1.096 0.658 1.00 0.00 N ATOM 488 CA LYS A 31 -4.146 -2.212 -0.276 1.00 0.00 C ATOM 489 C LYS A 31 -5.371 -2.251 -1.184 1.00 0.00 C ATOM 490 O LYS A 31 -5.269 -2.578 -2.365 1.00 0.00 O ATOM 491 CB LYS A 31 -4.005 -3.535 0.478 1.00 0.00 C ATOM 492 CG LYS A 31 -2.675 -3.709 1.201 1.00 0.00 C ATOM 493 CD LYS A 31 -2.647 -5.001 2.005 1.00 0.00 C ATOM 494 CE LYS A 31 -1.377 -5.107 2.836 1.00 0.00 C ATOM 495 NZ LYS A 31 -1.297 -6.402 3.565 1.00 0.00 N ATOM 0 H LYS A 31 -4.330 -1.371 1.635 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.262 -2.068 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.813 -3.612 1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.131 -4.356 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.862 -3.712 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.506 -2.861 1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.517 -5.043 2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.715 -5.854 1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.508 -5.002 2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.341 -4.285 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.410 -6.442 4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.103 -6.484 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.322 -7.187 2.883 1.00 0.00 H new ATOM 509 N ASP A 32 -6.529 -1.915 -0.624 1.00 0.00 N ATOM 510 CA ASP A 32 -7.756 -1.817 -1.405 1.00 0.00 C ATOM 511 C ASP A 32 -7.611 -0.782 -2.517 1.00 0.00 C ATOM 512 O ASP A 32 -8.025 -1.012 -3.653 1.00 0.00 O ATOM 513 CB ASP A 32 -8.941 -1.462 -0.502 1.00 0.00 C ATOM 514 CG ASP A 32 -10.294 -1.493 -1.200 1.00 0.00 C ATOM 515 OD1 ASP A 32 -10.676 -2.540 -1.667 1.00 0.00 O ATOM 516 OD2 ASP A 32 -11.002 -0.517 -1.123 1.00 0.00 O ATOM 0 H ASP A 32 -6.643 -1.706 0.368 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.944 -2.788 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.963 -2.156 0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.782 -0.466 -0.088 1.00 0.00 H new ATOM 521 N LYS A 33 -7.022 0.361 -2.181 1.00 0.00 N ATOM 522 CA LYS A 33 -6.798 1.422 -3.155 1.00 0.00 C ATOM 523 C LYS A 33 -5.879 0.946 -4.277 1.00 0.00 C ATOM 524 O LYS A 33 -6.109 1.249 -5.448 1.00 0.00 O ATOM 525 CB LYS A 33 -6.207 2.659 -2.476 1.00 0.00 C ATOM 526 CG LYS A 33 -7.174 3.396 -1.561 1.00 0.00 C ATOM 527 CD LYS A 33 -8.347 3.971 -2.340 1.00 0.00 C ATOM 528 CE LYS A 33 -9.332 4.677 -1.421 1.00 0.00 C ATOM 529 NZ LYS A 33 -10.508 5.205 -2.165 1.00 0.00 N ATOM 0 H LYS A 33 -6.691 0.576 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.761 1.689 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.335 2.358 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.857 3.348 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.543 2.714 -0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.648 4.200 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.979 4.672 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.857 3.171 -2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.671 3.983 -0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.828 5.497 -0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.154 5.679 -1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.188 5.886 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.005 4.419 -2.631 1.00 0.00 H new ATOM 543 N ILE A 34 -4.842 0.202 -3.909 1.00 0.00 N ATOM 544 CA ILE A 34 -3.983 -0.446 -4.892 1.00 0.00 C ATOM 545 C ILE A 34 -4.763 -1.463 -5.718 1.00 0.00 C ATOM 546 O ILE A 34 -4.570 -1.573 -6.930 1.00 0.00 O ATOM 547 CB ILE A 34 -2.788 -1.148 -4.222 1.00 0.00 C ATOM 548 CG1 ILE A 34 -1.860 -0.119 -3.572 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.027 -1.988 -5.237 1.00 0.00 C ATOM 550 CD1 ILE A 34 -0.858 -0.719 -2.613 1.00 0.00 C ATOM 0 H ILE A 34 -4.576 0.033 -2.939 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.608 0.339 -5.549 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.167 -1.810 -3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.323 0.417 -4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.464 0.615 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.185 -2.477 -4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.692 -2.743 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.658 -1.346 -6.037 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.237 0.072 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.386 -1.231 -1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.227 -1.432 -3.144 1.00 0.00 H new ATOM 562 N HIS A 35 -5.645 -2.204 -5.057 1.00 0.00 N ATOM 563 CA HIS A 35 -6.446 -3.221 -5.728 1.00 0.00 C ATOM 564 C HIS A 35 -7.410 -2.583 -6.723 1.00 0.00 C ATOM 565 O HIS A 35 -7.688 -3.147 -7.783 1.00 0.00 O ATOM 566 CB HIS A 35 -7.221 -4.062 -4.709 1.00 0.00 C ATOM 567 CG HIS A 35 -8.158 -5.050 -5.332 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.718 -6.134 -6.062 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.510 -5.117 -5.336 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.761 -6.826 -6.487 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.859 -6.229 -6.061 1.00 0.00 N ATOM 0 H HIS A 35 -5.824 -2.119 -4.056 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.766 -3.875 -6.274 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.511 -4.596 -4.077 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.789 -3.397 -4.059 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.742 -6.365 -6.245 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.187 -4.425 -4.858 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.722 -7.727 -7.082 1.00 0.00 H new ATOM 578 N ILE A 36 -7.921 -1.406 -6.375 1.00 0.00 N ATOM 579 CA ILE A 36 -8.842 -0.686 -7.245 1.00 0.00 C ATOM 580 C ILE A 36 -8.160 -0.274 -8.545 1.00 0.00 C ATOM 581 O ILE A 36 -8.740 -0.387 -9.625 1.00 0.00 O ATOM 582 CB ILE A 36 -9.410 0.566 -6.551 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.353 0.165 -5.413 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.131 1.450 -7.557 1.00 0.00 C ATOM 585 CD1 ILE A 36 -10.693 1.299 -4.474 1.00 0.00 C ATOM 0 H ILE A 36 -7.712 -0.931 -5.497 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.663 -1.367 -7.470 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.581 1.133 -6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.275 -0.230 -5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.895 -0.642 -4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.526 2.330 -7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.433 1.762 -8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.951 0.893 -8.009 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.364 0.938 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.779 1.680 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.181 2.099 -5.031 1.00 0.00 H new ATOM 597 N VAL A 37 -6.926 0.206 -8.434 1.00 0.00 N ATOM 598 CA VAL A 37 -6.162 0.633 -9.601 1.00 0.00 C ATOM 599 C VAL A 37 -5.652 -0.567 -10.391 1.00 0.00 C ATOM 600 O VAL A 37 -5.660 -0.560 -11.622 1.00 0.00 O ATOM 601 CB VAL A 37 -4.967 1.515 -9.198 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.105 1.833 -10.411 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.448 2.793 -8.528 1.00 0.00 C ATOM 0 H VAL A 37 -6.433 0.309 -7.547 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.838 1.216 -10.227 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.358 0.964 -8.482 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.265 2.457 -10.107 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.730 0.906 -10.844 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.702 2.364 -11.152 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.589 3.404 -8.250 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.081 3.350 -9.219 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.019 2.542 -7.634 1.00 0.00 H new ATOM 613 N GLU A 38 -5.209 -1.595 -9.675 1.00 0.00 N ATOM 614 CA GLU A 38 -4.578 -2.748 -10.306 1.00 0.00 C ATOM 615 C GLU A 38 -5.604 -3.841 -10.595 1.00 0.00 C ATOM 616 O GLU A 38 -6.790 -3.686 -10.299 1.00 0.00 O ATOM 617 CB GLU A 38 -3.457 -3.298 -9.421 1.00 0.00 C ATOM 618 CG GLU A 38 -2.302 -2.331 -9.197 1.00 0.00 C ATOM 619 CD GLU A 38 -1.644 -1.956 -10.494 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.210 -2.839 -11.196 1.00 0.00 O ATOM 621 OE2 GLU A 38 -1.672 -0.798 -10.840 1.00 0.00 O ATOM 0 H GLU A 38 -5.275 -1.653 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.149 -2.420 -11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.877 -3.574 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.069 -4.211 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.668 -1.433 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.568 -2.786 -8.533 1.00 0.00 H new ATOM 628 N ASN A 39 -5.140 -4.943 -11.173 1.00 0.00 N ATOM 629 CA ASN A 39 -6.015 -6.067 -11.485 1.00 0.00 C ATOM 630 C ASN A 39 -5.622 -7.301 -10.679 1.00 0.00 C ATOM 631 O ASN A 39 -5.960 -8.429 -11.042 1.00 0.00 O ATOM 632 CB ASN A 39 -6.009 -6.383 -12.969 1.00 0.00 C ATOM 633 CG ASN A 39 -6.547 -5.271 -13.826 1.00 0.00 C ATOM 634 OD1 ASN A 39 -7.409 -4.495 -13.401 1.00 0.00 O ATOM 635 ND2 ASN A 39 -6.103 -5.242 -15.058 1.00 0.00 N ATOM 0 H ASN A 39 -4.164 -5.082 -11.435 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.029 -5.777 -11.208 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.989 -6.608 -13.279 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.600 -7.282 -13.142 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.471 -4.555 -15.717 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.389 -5.906 -15.359 1.00 0.00 H new ATOM 642 N THR A 40 -4.904 -7.082 -9.581 1.00 0.00 N ATOM 643 CA THR A 40 -4.394 -8.178 -8.768 1.00 0.00 C ATOM 644 C THR A 40 -5.064 -8.204 -7.399 1.00 0.00 C ATOM 645 O THR A 40 -5.133 -7.196 -6.697 1.00 0.00 O ATOM 646 CB THR A 40 -2.869 -8.081 -8.582 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.222 -8.168 -9.858 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.368 -9.205 -7.687 1.00 0.00 C ATOM 0 H THR A 40 -4.663 -6.153 -9.235 1.00 0.00 H new ATOM 0 HA THR A 40 -4.626 -9.100 -9.300 1.00 0.00 H new ATOM 0 HB THR A 40 -2.636 -7.125 -8.113 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.319 -9.077 -10.212 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.288 -9.120 -7.567 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.848 -9.135 -6.711 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.608 -10.166 -8.141 1.00 0.00 H new ATOM 656 N PRO A 41 -5.567 -9.384 -7.009 1.00 0.00 N ATOM 657 CA PRO A 41 -6.209 -9.578 -5.704 1.00 0.00 C ATOM 658 C PRO A 41 -5.323 -9.128 -4.548 1.00 0.00 C ATOM 659 O PRO A 41 -4.101 -9.273 -4.599 1.00 0.00 O ATOM 660 CB PRO A 41 -6.491 -11.083 -5.653 1.00 0.00 C ATOM 661 CG PRO A 41 -6.605 -11.489 -7.082 1.00 0.00 C ATOM 662 CD PRO A 41 -5.603 -10.641 -7.819 1.00 0.00 C ATOM 0 HA PRO A 41 -7.112 -8.977 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.687 -11.621 -5.150 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.409 -11.297 -5.105 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.390 -12.550 -7.207 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.614 -11.322 -7.459 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.625 -11.120 -7.865 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.913 -10.451 -8.846 1.00 0.00 H new ATOM 670 N ILE A 42 -5.945 -8.584 -3.509 1.00 0.00 N ATOM 671 CA ILE A 42 -5.212 -8.111 -2.341 1.00 0.00 C ATOM 672 C ILE A 42 -4.427 -9.245 -1.689 1.00 0.00 C ATOM 673 O ILE A 42 -3.313 -9.047 -1.207 1.00 0.00 O ATOM 674 CB ILE A 42 -6.155 -7.483 -1.298 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.755 -6.181 -1.835 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.414 -7.234 0.007 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.880 -5.633 -0.990 1.00 0.00 C ATOM 0 H ILE A 42 -6.956 -8.459 -3.451 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.517 -7.348 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.969 -8.181 -1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.967 -5.431 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.123 -6.352 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.095 -6.790 0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.035 -8.179 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.581 -6.554 -0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.253 -4.710 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.687 -6.364 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.513 -5.429 0.016 1.00 0.00 H new ATOM 689 N LYS A 43 -5.018 -10.435 -1.678 1.00 0.00 N ATOM 690 CA LYS A 43 -4.398 -11.591 -1.039 1.00 0.00 C ATOM 691 C LYS A 43 -3.149 -12.028 -1.797 1.00 0.00 C ATOM 692 O LYS A 43 -2.283 -12.707 -1.246 1.00 0.00 O ATOM 693 CB LYS A 43 -5.392 -12.750 -0.946 1.00 0.00 C ATOM 694 CG LYS A 43 -6.546 -12.513 0.018 1.00 0.00 C ATOM 695 CD LYS A 43 -7.501 -13.697 0.041 1.00 0.00 C ATOM 696 CE LYS A 43 -8.638 -13.474 1.027 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.591 -14.617 1.045 1.00 0.00 N ATOM 0 H LYS A 43 -5.925 -10.625 -2.104 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.103 -11.300 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.798 -12.945 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.856 -13.648 -0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.155 -12.339 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.087 -11.613 -0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.909 -13.857 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.955 -14.601 0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.228 -13.328 2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.172 -12.561 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.350 -14.425 1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.002 -14.741 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.088 -15.484 1.320 1.00 0.00 H new ATOM 711 N ARG A 44 -3.062 -11.631 -3.063 1.00 0.00 N ATOM 712 CA ARG A 44 -1.932 -12.006 -3.904 1.00 0.00 C ATOM 713 C ARG A 44 -0.921 -10.867 -3.998 1.00 0.00 C ATOM 714 O ARG A 44 0.288 -11.098 -4.008 1.00 0.00 O ATOM 715 CB ARG A 44 -2.373 -12.478 -5.282 1.00 0.00 C ATOM 716 CG ARG A 44 -3.298 -13.685 -5.280 1.00 0.00 C ATOM 717 CD ARG A 44 -2.664 -14.940 -4.800 1.00 0.00 C ATOM 718 NE ARG A 44 -3.558 -16.086 -4.752 1.00 0.00 N ATOM 719 CZ ARG A 44 -3.209 -17.310 -4.312 1.00 0.00 C ATOM 720 NH1 ARG A 44 -1.980 -17.565 -3.919 1.00 0.00 N ATOM 721 NH2 ARG A 44 -4.129 -18.259 -4.310 1.00 0.00 N ATOM 0 H ARG A 44 -3.760 -11.050 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.440 -12.854 -3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.876 -11.654 -5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.486 -12.719 -5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.162 -13.465 -4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.671 -13.844 -6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.822 -15.179 -5.450 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.259 -14.769 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.517 -15.953 -5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.273 -16.830 -3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.733 -18.498 -3.589 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.074 -18.054 -4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.894 -19.196 -3.982 1.00 0.00 H new ATOM 735 N MET A 45 -1.425 -9.639 -4.064 1.00 0.00 N ATOM 736 CA MET A 45 -0.565 -8.465 -4.156 1.00 0.00 C ATOM 737 C MET A 45 0.268 -8.301 -2.889 1.00 0.00 C ATOM 738 O MET A 45 -0.246 -8.423 -1.777 1.00 0.00 O ATOM 739 CB MET A 45 -1.403 -7.212 -4.407 1.00 0.00 C ATOM 740 CG MET A 45 -0.605 -5.917 -4.439 1.00 0.00 C ATOM 741 SD MET A 45 -0.364 -5.208 -2.797 1.00 0.00 S ATOM 742 CE MET A 45 -2.010 -4.593 -2.451 1.00 0.00 C ATOM 0 H MET A 45 -2.424 -9.431 -4.055 1.00 0.00 H new ATOM 0 HA MET A 45 0.116 -8.606 -4.995 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.927 -7.325 -5.356 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.163 -7.137 -3.630 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.367 -6.105 -4.896 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.120 -5.193 -5.071 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.947 -3.562 -2.103 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.612 -4.633 -3.359 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.474 -5.209 -1.681 1.00 0.00 H new ATOM 752 N GLN A 46 1.555 -8.022 -3.065 1.00 0.00 N ATOM 753 CA GLN A 46 2.458 -7.841 -1.934 1.00 0.00 C ATOM 754 C GLN A 46 2.813 -6.369 -1.753 1.00 0.00 C ATOM 755 O GLN A 46 3.089 -5.662 -2.724 1.00 0.00 O ATOM 756 CB GLN A 46 3.736 -8.663 -2.128 1.00 0.00 C ATOM 757 CG GLN A 46 3.492 -10.133 -2.417 1.00 0.00 C ATOM 758 CD GLN A 46 2.825 -10.848 -1.257 1.00 0.00 C ATOM 759 OE1 GLN A 46 3.330 -10.838 -0.131 1.00 0.00 O ATOM 760 NE2 GLN A 46 1.687 -11.477 -1.526 1.00 0.00 N ATOM 0 H GLN A 46 1.996 -7.916 -3.979 1.00 0.00 H new ATOM 0 HA GLN A 46 1.945 -8.190 -1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.310 -8.233 -2.949 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.349 -8.577 -1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.868 -10.227 -3.305 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.442 -10.619 -2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.306 -11.459 -2.472 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.194 -11.978 -0.787 1.00 0.00 H new ATOM 769 N LEU A 47 2.806 -5.913 -0.506 1.00 0.00 N ATOM 770 CA LEU A 47 2.941 -4.491 -0.210 1.00 0.00 C ATOM 771 C LEU A 47 4.104 -4.241 0.746 1.00 0.00 C ATOM 772 O LEU A 47 4.079 -4.679 1.896 1.00 0.00 O ATOM 773 CB LEU A 47 1.635 -3.944 0.382 1.00 0.00 C ATOM 774 CG LEU A 47 1.707 -2.505 0.905 1.00 0.00 C ATOM 775 CD1 LEU A 47 2.120 -1.561 -0.216 1.00 0.00 C ATOM 776 CD2 LEU A 47 0.357 -2.104 1.479 1.00 0.00 C ATOM 0 H LEU A 47 2.708 -6.507 0.317 1.00 0.00 H new ATOM 0 HA LEU A 47 3.150 -3.967 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.859 -3.998 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.324 -4.595 1.199 1.00 0.00 H new ATOM 0 HG LEU A 47 2.456 -2.443 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.168 -0.541 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.099 -1.853 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.389 -1.612 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.409 -1.081 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.403 -2.169 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.096 -2.775 2.298 1.00 0.00 H new ATOM 788 N TYR A 48 5.119 -3.534 0.263 1.00 0.00 N ATOM 789 CA TYR A 48 6.268 -3.182 1.089 1.00 0.00 C ATOM 790 C TYR A 48 6.341 -1.673 1.302 1.00 0.00 C ATOM 791 O TYR A 48 6.130 -0.892 0.375 1.00 0.00 O ATOM 792 CB TYR A 48 7.563 -3.689 0.450 1.00 0.00 C ATOM 793 CG TYR A 48 8.818 -3.182 1.125 1.00 0.00 C ATOM 794 CD1 TYR A 48 9.280 -3.760 2.298 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.539 -2.126 0.587 1.00 0.00 C ATOM 796 CE1 TYR A 48 10.425 -3.301 2.919 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.685 -1.659 1.198 1.00 0.00 C ATOM 798 CZ TYR A 48 11.126 -2.250 2.366 1.00 0.00 C ATOM 799 OH TYR A 48 12.268 -1.789 2.979 1.00 0.00 O ATOM 0 H TYR A 48 5.170 -3.193 -0.697 1.00 0.00 H new ATOM 0 HA TYR A 48 6.146 -3.661 2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.565 -4.779 0.472 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.580 -3.391 -0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.734 -4.584 2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.198 -1.661 -0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.769 -3.763 3.833 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.234 -0.836 0.765 1.00 0.00 H new ATOM 0 HH TYR A 48 12.768 -1.222 2.355 1.00 0.00 H new ATOM 809 N TYR A 49 6.643 -1.269 2.531 1.00 0.00 N ATOM 810 CA TYR A 49 6.849 0.139 2.846 1.00 0.00 C ATOM 811 C TYR A 49 8.292 0.396 3.270 1.00 0.00 C ATOM 812 O TYR A 49 8.868 -0.367 4.046 1.00 0.00 O ATOM 813 CB TYR A 49 5.887 0.589 3.947 1.00 0.00 C ATOM 814 CG TYR A 49 6.196 1.960 4.508 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.162 3.085 3.698 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.517 2.124 5.847 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.443 4.339 4.205 1.00 0.00 C ATOM 818 CE2 TYR A 49 6.800 3.373 6.366 1.00 0.00 C ATOM 819 CZ TYR A 49 6.761 4.478 5.541 1.00 0.00 C ATOM 820 OH TYR A 49 7.041 5.725 6.052 1.00 0.00 O ATOM 0 H TYR A 49 6.751 -1.898 3.326 1.00 0.00 H new ATOM 0 HA TYR A 49 6.647 0.719 1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.872 0.590 3.551 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.912 -0.139 4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.912 2.979 2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.546 1.261 6.495 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.414 5.205 3.560 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.050 3.483 7.411 1.00 0.00 H new ATOM 0 HH TYR A 49 6.395 5.942 6.756 1.00 0.00 H new ATOM 830 N SER A 50 8.871 1.476 2.756 1.00 0.00 N ATOM 831 CA SER A 50 10.197 1.910 3.180 1.00 0.00 C ATOM 832 C SER A 50 10.518 1.386 4.577 1.00 0.00 C ATOM 833 O SER A 50 10.041 1.922 5.577 1.00 0.00 O ATOM 834 CB SER A 50 10.290 3.423 3.146 1.00 0.00 C ATOM 835 OG SER A 50 11.546 3.883 3.560 1.00 0.00 O ATOM 0 H SER A 50 8.442 2.067 2.044 1.00 0.00 H new ATOM 0 HA SER A 50 10.931 1.499 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.091 3.775 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.519 3.848 3.789 1.00 0.00 H new ATOM 0 HG SER A 50 11.565 4.862 3.522 1.00 0.00 H new ATOM 841 N GLY A 51 11.330 0.336 4.636 1.00 0.00 N ATOM 842 CA GLY A 51 11.693 -0.249 5.914 1.00 0.00 C ATOM 843 C GLY A 51 10.856 -1.467 6.253 1.00 0.00 C ATOM 844 O GLY A 51 11.329 -2.600 6.162 1.00 0.00 O ATOM 0 H GLY A 51 11.743 -0.120 3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.746 -0.529 5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.576 0.498 6.699 1.00 0.00 H new ATOM 848 N ILE A 52 9.608 -1.233 6.648 1.00 0.00 N ATOM 849 CA ILE A 52 8.746 -2.306 7.128 1.00 0.00 C ATOM 850 C ILE A 52 7.801 -2.785 6.030 1.00 0.00 C ATOM 851 O ILE A 52 7.143 -1.981 5.371 1.00 0.00 O ATOM 852 CB ILE A 52 7.919 -1.863 8.348 1.00 0.00 C ATOM 853 CG1 ILE A 52 8.842 -1.460 9.501 1.00 0.00 C ATOM 854 CG2 ILE A 52 6.974 -2.973 8.783 1.00 0.00 C ATOM 855 CD1 ILE A 52 8.127 -0.787 10.651 1.00 0.00 C ATOM 0 H ILE A 52 9.172 -0.311 6.645 1.00 0.00 H new ATOM 0 HA ILE A 52 9.399 -3.127 7.424 1.00 0.00 H new ATOM 0 HB ILE A 52 7.322 -0.996 8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.352 -2.349 9.873 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.611 -0.787 9.120 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.397 -2.642 9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.296 -3.215 7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.551 -3.858 9.050 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.848 -0.532 11.428 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.640 0.121 10.295 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.377 -1.464 11.060 1.00 0.00 H new ATOM 867 N GLU A 53 7.740 -4.099 5.842 1.00 0.00 N ATOM 868 CA GLU A 53 6.763 -4.696 4.937 1.00 0.00 C ATOM 869 C GLU A 53 5.376 -4.719 5.572 1.00 0.00 C ATOM 870 O GLU A 53 5.222 -5.066 6.745 1.00 0.00 O ATOM 871 CB GLU A 53 7.189 -6.115 4.548 1.00 0.00 C ATOM 872 CG GLU A 53 6.281 -6.785 3.526 1.00 0.00 C ATOM 873 CD GLU A 53 6.784 -8.154 3.164 1.00 0.00 C ATOM 874 OE1 GLU A 53 7.777 -8.566 3.713 1.00 0.00 O ATOM 875 OE2 GLU A 53 6.114 -8.834 2.423 1.00 0.00 O ATOM 0 H GLU A 53 8.354 -4.770 6.303 1.00 0.00 H new ATOM 0 HA GLU A 53 6.719 -4.083 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.203 -6.081 4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.221 -6.731 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.271 -6.861 3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.222 -6.168 2.629 1.00 0.00 H new ATOM 882 N LEU A 54 4.369 -4.346 4.790 1.00 0.00 N ATOM 883 CA LEU A 54 3.029 -4.124 5.323 1.00 0.00 C ATOM 884 C LEU A 54 2.178 -5.384 5.200 1.00 0.00 C ATOM 885 O LEU A 54 1.242 -5.436 4.402 1.00 0.00 O ATOM 886 CB LEU A 54 2.357 -2.950 4.600 1.00 0.00 C ATOM 887 CG LEU A 54 3.142 -1.633 4.625 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.344 -0.537 3.931 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.445 -1.248 6.065 1.00 0.00 C ATOM 0 H LEU A 54 4.455 -4.191 3.785 1.00 0.00 H new ATOM 0 HA LEU A 54 3.119 -3.879 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.187 -3.233 3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.378 -2.780 5.049 1.00 0.00 H new ATOM 0 HG LEU A 54 4.083 -1.761 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.909 0.395 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.157 -0.823 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.394 -0.397 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.003 -0.312 6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.511 -1.123 6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.039 -2.033 6.534 1.00 0.00 H new ATOM 901 N ALA A 55 2.508 -6.395 5.995 1.00 0.00 N ATOM 902 CA ALA A 55 1.932 -7.723 5.821 1.00 0.00 C ATOM 903 C ALA A 55 0.778 -7.954 6.791 1.00 0.00 C ATOM 904 O ALA A 55 -0.010 -8.885 6.623 1.00 0.00 O ATOM 905 CB ALA A 55 3.001 -8.790 6.007 1.00 0.00 C ATOM 0 H ALA A 55 3.171 -6.321 6.766 1.00 0.00 H new ATOM 0 HA ALA A 55 1.538 -7.790 4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.557 -9.777 5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.791 -8.646 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.421 -8.713 7.010 1.00 0.00 H new ATOM 911 N ASP A 56 0.685 -7.103 7.806 1.00 0.00 N ATOM 912 CA ASP A 56 -0.343 -7.242 8.829 1.00 0.00 C ATOM 913 C ASP A 56 -1.483 -6.254 8.592 1.00 0.00 C ATOM 914 O ASP A 56 -1.288 -5.040 8.650 1.00 0.00 O ATOM 915 CB ASP A 56 0.253 -7.035 10.224 1.00 0.00 C ATOM 916 CG ASP A 56 1.217 -8.127 10.664 1.00 0.00 C ATOM 917 OD1 ASP A 56 1.234 -9.164 10.042 1.00 0.00 O ATOM 918 OD2 ASP A 56 2.036 -7.864 11.511 1.00 0.00 O ATOM 0 H ASP A 56 1.310 -6.309 7.942 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.744 -8.253 8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.774 -6.078 10.245 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.560 -6.972 10.947 1.00 0.00 H new ATOM 923 N ASP A 57 -2.670 -6.784 8.322 1.00 0.00 N ATOM 924 CA ASP A 57 -3.812 -5.955 7.954 1.00 0.00 C ATOM 925 C ASP A 57 -4.392 -5.255 9.180 1.00 0.00 C ATOM 926 O ASP A 57 -4.954 -4.165 9.076 1.00 0.00 O ATOM 927 CB ASP A 57 -4.891 -6.796 7.267 1.00 0.00 C ATOM 928 CG ASP A 57 -4.547 -7.218 5.845 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.634 -6.660 5.284 1.00 0.00 O ATOM 930 OD2 ASP A 57 -5.093 -8.195 5.389 1.00 0.00 O ATOM 0 H ASP A 57 -2.867 -7.784 8.351 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.464 -5.195 7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.074 -7.689 7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.821 -6.228 7.250 1.00 0.00 H new ATOM 935 N TYR A 58 -4.253 -5.889 10.338 1.00 0.00 N ATOM 936 CA TYR A 58 -4.838 -5.371 11.569 1.00 0.00 C ATOM 937 C TYR A 58 -3.997 -4.231 12.134 1.00 0.00 C ATOM 938 O TYR A 58 -4.428 -3.516 13.039 1.00 0.00 O ATOM 939 CB TYR A 58 -4.978 -6.487 12.608 1.00 0.00 C ATOM 940 CG TYR A 58 -3.665 -7.124 13.005 1.00 0.00 C ATOM 941 CD1 TYR A 58 -2.921 -6.623 14.063 1.00 0.00 C ATOM 942 CD2 TYR A 58 -3.175 -8.226 12.322 1.00 0.00 C ATOM 943 CE1 TYR A 58 -1.721 -7.201 14.430 1.00 0.00 C ATOM 944 CE2 TYR A 58 -1.976 -8.813 12.680 1.00 0.00 C ATOM 945 CZ TYR A 58 -1.252 -8.297 13.735 1.00 0.00 C ATOM 946 OH TYR A 58 -0.059 -8.878 14.097 1.00 0.00 O ATOM 0 H TYR A 58 -3.740 -6.763 10.451 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.829 -4.984 11.333 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.458 -6.082 13.499 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.639 -7.258 12.212 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.286 -5.766 14.609 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.740 -8.633 11.496 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.154 -6.798 15.256 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.608 -9.671 12.137 1.00 0.00 H new ATOM 0 HH TYR A 58 0.126 -9.639 13.508 1.00 0.00 H new ATOM 956 N ARG A 59 -2.795 -4.067 11.592 1.00 0.00 N ATOM 957 CA ARG A 59 -1.970 -2.904 11.900 1.00 0.00 C ATOM 958 C ARG A 59 -2.335 -1.726 11.001 1.00 0.00 C ATOM 959 O ARG A 59 -2.542 -1.889 9.800 1.00 0.00 O ATOM 960 CB ARG A 59 -0.483 -3.219 11.834 1.00 0.00 C ATOM 961 CG ARG A 59 -0.002 -4.247 12.846 1.00 0.00 C ATOM 962 CD ARG A 59 0.102 -3.736 14.236 1.00 0.00 C ATOM 963 NE ARG A 59 0.633 -4.694 15.193 1.00 0.00 N ATOM 964 CZ ARG A 59 0.779 -4.458 16.511 1.00 0.00 C ATOM 965 NH1 ARG A 59 0.471 -3.290 17.028 1.00 0.00 N ATOM 966 NH2 ARG A 59 1.262 -5.428 17.269 1.00 0.00 N ATOM 0 H ARG A 59 -2.370 -4.724 10.938 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.181 -2.620 12.931 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.246 -3.578 10.832 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.076 -2.295 11.982 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.684 -5.097 12.834 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.974 -4.617 12.534 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.737 -2.850 14.237 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.887 -3.420 14.568 1.00 0.00 H new ATOM 0 HE ARG A 59 0.915 -5.609 14.841 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.115 -2.545 16.429 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.588 -3.128 18.028 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.512 -6.325 16.852 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.384 -5.280 18.271 1.00 0.00 H new ATOM 980 N ASN A 60 -2.411 -0.539 11.594 1.00 0.00 N ATOM 981 CA ASN A 60 -2.915 0.636 10.890 1.00 0.00 C ATOM 982 C ASN A 60 -1.768 1.455 10.310 1.00 0.00 C ATOM 983 O ASN A 60 -0.605 1.253 10.662 1.00 0.00 O ATOM 984 CB ASN A 60 -3.775 1.499 11.795 1.00 0.00 C ATOM 985 CG ASN A 60 -3.016 2.139 12.923 1.00 0.00 C ATOM 986 OD1 ASN A 60 -1.999 2.811 12.711 1.00 0.00 O ATOM 987 ND2 ASN A 60 -3.455 1.869 14.125 1.00 0.00 N ATOM 0 H ASN A 60 -2.131 -0.365 12.559 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.539 0.282 10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.246 2.280 11.197 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.577 0.888 12.210 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.953 2.217 14.942 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.300 1.310 14.246 1.00 0.00 H new ATOM 994 N LEU A 61 -2.101 2.382 9.418 1.00 0.00 N ATOM 995 CA LEU A 61 -1.092 3.156 8.704 1.00 0.00 C ATOM 996 C LEU A 61 -0.199 3.918 9.679 1.00 0.00 C ATOM 997 O LEU A 61 1.004 4.049 9.459 1.00 0.00 O ATOM 998 CB LEU A 61 -1.762 4.126 7.723 1.00 0.00 C ATOM 999 CG LEU A 61 -2.501 3.463 6.552 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.316 4.502 5.793 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.493 2.790 5.631 1.00 0.00 C ATOM 0 H LEU A 61 -3.063 2.616 9.172 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.466 2.464 8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.469 4.745 8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.001 4.794 7.320 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.186 2.707 6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.836 4.022 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.045 4.955 6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.651 5.274 5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.018 2.319 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.798 3.536 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.941 2.032 6.187 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.797 4.414 10.757 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.075 5.237 11.720 1.00 0.00 C ATOM 1015 C ASN A 62 1.015 4.427 12.417 1.00 0.00 C ATOM 1016 O ASN A 62 2.096 4.943 12.702 1.00 0.00 O ATOM 1017 CB ASN A 62 -1.014 5.849 12.743 1.00 0.00 C ATOM 1018 CG ASN A 62 -1.848 6.977 12.200 1.00 0.00 C ATOM 1019 OD1 ASN A 62 -1.505 7.598 11.188 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -2.897 7.297 12.913 1.00 0.00 N ATOM 0 H ASN A 62 -1.779 4.260 10.986 1.00 0.00 H new ATOM 0 HA ASN A 62 0.395 6.050 11.167 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.675 5.072 13.127 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.429 6.215 13.587 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.475 8.092 12.641 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.137 6.751 13.741 1.00 0.00 H new ATOM 1027 N GLU A 63 0.720 3.161 12.689 1.00 0.00 N ATOM 1028 CA GLU A 63 1.652 2.298 13.406 1.00 0.00 C ATOM 1029 C GLU A 63 2.907 2.044 12.575 1.00 0.00 C ATOM 1030 O GLU A 63 3.987 1.805 13.117 1.00 0.00 O ATOM 1031 CB GLU A 63 0.983 0.972 13.773 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.031 1.070 14.903 1.00 0.00 C ATOM 1033 CD GLU A 63 -0.718 -0.247 15.137 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.314 -0.756 14.219 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -0.553 -0.798 16.200 1.00 0.00 O ATOM 0 H GLU A 63 -0.156 2.710 12.425 1.00 0.00 H new ATOM 0 HA GLU A 63 1.945 2.807 14.324 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.486 0.573 12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.755 0.256 14.055 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.470 1.389 15.817 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.773 1.832 14.664 1.00 0.00 H new ATOM 1042 N TYR A 64 2.756 2.096 11.256 1.00 0.00 N ATOM 1043 CA TYR A 64 3.854 1.782 10.349 1.00 0.00 C ATOM 1044 C TYR A 64 4.672 3.029 10.031 1.00 0.00 C ATOM 1045 O TYR A 64 5.719 2.953 9.390 1.00 0.00 O ATOM 1046 CB TYR A 64 3.321 1.157 9.057 1.00 0.00 C ATOM 1047 CG TYR A 64 2.912 -0.293 9.200 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.862 -1.282 9.405 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.579 -0.667 9.127 1.00 0.00 C ATOM 1050 CE1 TYR A 64 3.495 -2.607 9.536 1.00 0.00 C ATOM 1051 CE2 TYR A 64 1.199 -1.989 9.258 1.00 0.00 C ATOM 1052 CZ TYR A 64 2.163 -2.957 9.462 1.00 0.00 C ATOM 1053 OH TYR A 64 1.791 -4.276 9.591 1.00 0.00 O ATOM 0 H TYR A 64 1.885 2.352 10.791 1.00 0.00 H new ATOM 0 HA TYR A 64 4.505 1.062 10.845 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.463 1.734 8.713 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.087 1.234 8.285 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.906 -1.012 9.463 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.824 0.088 8.965 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.247 -3.365 9.696 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.156 -2.263 9.201 1.00 0.00 H new ATOM 0 HH TYR A 64 2.421 -4.737 10.183 1.00 0.00 H new ATOM 1063 N GLY A 65 4.185 4.180 10.485 1.00 0.00 N ATOM 1064 CA GLY A 65 4.847 5.436 10.183 1.00 0.00 C ATOM 1065 C GLY A 65 4.516 5.946 8.794 1.00 0.00 C ATOM 1066 O GLY A 65 5.346 6.586 8.148 1.00 0.00 O ATOM 0 H GLY A 65 3.344 4.265 11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.555 6.184 10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.926 5.305 10.271 1.00 0.00 H new ATOM 1070 N ILE A 66 3.301 5.664 8.335 1.00 0.00 N ATOM 1071 CA ILE A 66 2.866 6.094 7.012 1.00 0.00 C ATOM 1072 C ILE A 66 2.513 7.578 7.005 1.00 0.00 C ATOM 1073 O ILE A 66 1.524 7.997 7.608 1.00 0.00 O ATOM 1074 CB ILE A 66 1.651 5.285 6.525 1.00 0.00 C ATOM 1075 CG1 ILE A 66 1.985 3.790 6.490 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.206 5.766 5.153 1.00 0.00 C ATOM 1077 CD1 ILE A 66 3.054 3.426 5.485 1.00 0.00 C ATOM 0 H ILE A 66 2.601 5.140 8.860 1.00 0.00 H new ATOM 0 HA ILE A 66 3.701 5.918 6.334 1.00 0.00 H new ATOM 0 HB ILE A 66 0.829 5.439 7.225 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.311 3.477 7.482 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.078 3.230 6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.346 5.183 4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.931 6.819 5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.022 5.641 4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.235 2.352 5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.724 3.707 4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.975 3.957 5.725 1.00 0.00 H new ATOM 1089 N THR A 67 3.329 8.371 6.318 1.00 0.00 N ATOM 1090 CA THR A 67 3.195 9.822 6.354 1.00 0.00 C ATOM 1091 C THR A 67 2.579 10.351 5.064 1.00 0.00 C ATOM 1092 O THR A 67 2.237 9.579 4.169 1.00 0.00 O ATOM 1093 CB THR A 67 4.555 10.508 6.582 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.393 10.307 5.436 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.241 9.939 7.814 1.00 0.00 C ATOM 0 H THR A 67 4.090 8.032 5.729 1.00 0.00 H new ATOM 0 HA THR A 67 2.535 10.057 7.189 1.00 0.00 H new ATOM 0 HB THR A 67 4.386 11.574 6.734 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.257 10.745 5.582 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.200 10.436 7.959 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.612 10.103 8.689 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.403 8.870 7.679 1.00 0.00 H new ATOM 1103 N GLU A 68 2.440 11.670 4.977 1.00 0.00 N ATOM 1104 CA GLU A 68 1.931 12.305 3.767 1.00 0.00 C ATOM 1105 C GLU A 68 2.792 11.945 2.560 1.00 0.00 C ATOM 1106 O GLU A 68 2.320 11.955 1.422 1.00 0.00 O ATOM 1107 CB GLU A 68 1.874 13.824 3.942 1.00 0.00 C ATOM 1108 CG GLU A 68 1.314 14.574 2.742 1.00 0.00 C ATOM 1109 CD GLU A 68 1.230 16.051 3.011 1.00 0.00 C ATOM 1110 OE1 GLU A 68 1.606 16.463 4.082 1.00 0.00 O ATOM 1111 OE2 GLU A 68 0.897 16.781 2.107 1.00 0.00 O ATOM 0 H GLU A 68 2.672 12.319 5.729 1.00 0.00 H new ATOM 0 HA GLU A 68 0.921 11.935 3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.265 14.054 4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.879 14.192 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.946 14.396 1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.323 14.189 2.500 1.00 0.00 H new ATOM 1118 N PHE A 69 4.056 11.628 2.815 1.00 0.00 N ATOM 1119 CA PHE A 69 5.018 11.394 1.742 1.00 0.00 C ATOM 1120 C PHE A 69 5.406 9.921 1.671 1.00 0.00 C ATOM 1121 O PHE A 69 6.469 9.572 1.157 1.00 0.00 O ATOM 1122 CB PHE A 69 6.263 12.260 1.942 1.00 0.00 C ATOM 1123 CG PHE A 69 5.977 13.735 1.980 1.00 0.00 C ATOM 1124 CD1 PHE A 69 5.760 14.445 0.809 1.00 0.00 C ATOM 1125 CD2 PHE A 69 5.922 14.414 3.189 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.498 15.801 0.843 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.658 15.770 3.224 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.446 16.463 2.053 1.00 0.00 C ATOM 0 H PHE A 69 4.440 11.527 3.755 1.00 0.00 H new ATOM 0 HA PHE A 69 4.547 11.670 0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.750 11.970 2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.969 12.057 1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.796 13.932 -0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.087 13.877 4.112 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.334 16.343 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.618 16.287 4.171 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.239 17.523 2.081 1.00 0.00 H new ATOM 1138 N SER A 70 4.537 9.061 2.192 1.00 0.00 N ATOM 1139 CA SER A 70 4.824 7.633 2.263 1.00 0.00 C ATOM 1140 C SER A 70 5.199 7.085 0.888 1.00 0.00 C ATOM 1141 O SER A 70 4.492 7.310 -0.093 1.00 0.00 O ATOM 1142 CB SER A 70 3.629 6.887 2.825 1.00 0.00 C ATOM 1143 OG SER A 70 3.831 5.500 2.833 1.00 0.00 O ATOM 0 H SER A 70 3.629 9.328 2.571 1.00 0.00 H new ATOM 0 HA SER A 70 5.674 7.485 2.929 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.432 7.230 3.841 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.744 7.121 2.233 1.00 0.00 H new ATOM 0 HG SER A 70 4.624 5.288 3.369 1.00 0.00 H new ATOM 1149 N GLU A 71 6.314 6.365 0.830 1.00 0.00 N ATOM 1150 CA GLU A 71 6.716 5.679 -0.392 1.00 0.00 C ATOM 1151 C GLU A 71 6.662 4.166 -0.209 1.00 0.00 C ATOM 1152 O GLU A 71 7.397 3.601 0.602 1.00 0.00 O ATOM 1153 CB GLU A 71 8.122 6.111 -0.813 1.00 0.00 C ATOM 1154 CG GLU A 71 8.234 7.573 -1.224 1.00 0.00 C ATOM 1155 CD GLU A 71 9.652 7.937 -1.569 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.494 7.848 -0.707 1.00 0.00 O ATOM 1157 OE2 GLU A 71 9.916 8.194 -2.719 1.00 0.00 O ATOM 0 H GLU A 71 6.955 6.241 1.614 1.00 0.00 H new ATOM 0 HA GLU A 71 6.015 5.955 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.809 5.925 0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.447 5.486 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.589 7.762 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.880 8.209 -0.413 1.00 0.00 H new ATOM 1164 N ILE A 72 5.788 3.513 -0.969 1.00 0.00 N ATOM 1165 CA ILE A 72 5.611 2.070 -0.862 1.00 0.00 C ATOM 1166 C ILE A 72 5.938 1.378 -2.179 1.00 0.00 C ATOM 1167 O ILE A 72 5.640 1.895 -3.257 1.00 0.00 O ATOM 1168 CB ILE A 72 4.174 1.709 -0.444 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.164 2.313 -1.424 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.896 2.185 0.974 1.00 0.00 C ATOM 1171 CD1 ILE A 72 1.746 1.838 -1.208 1.00 0.00 C ATOM 0 H ILE A 72 5.192 3.961 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 72 6.301 1.722 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 72 4.069 0.624 -0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.191 3.399 -1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.468 2.068 -2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.876 1.921 1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.595 1.708 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.018 3.267 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.089 2.309 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.703 0.755 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.421 2.107 -0.203 1.00 0.00 H new ATOM 1183 N VAL A 73 6.552 0.202 -2.087 1.00 0.00 N ATOM 1184 CA VAL A 73 6.846 -0.601 -3.267 1.00 0.00 C ATOM 1185 C VAL A 73 5.959 -1.840 -3.323 1.00 0.00 C ATOM 1186 O VAL A 73 5.890 -2.611 -2.366 1.00 0.00 O ATOM 1187 CB VAL A 73 8.323 -1.036 -3.302 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.596 -1.900 -4.525 1.00 0.00 C ATOM 1189 CG2 VAL A 73 9.237 0.180 -3.296 1.00 0.00 C ATOM 0 H VAL A 73 6.855 -0.215 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 73 6.643 0.028 -4.134 1.00 0.00 H new ATOM 0 HB VAL A 73 8.528 -1.627 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.644 -2.198 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.966 -2.789 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.373 -1.332 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.277 -0.146 -3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.029 0.796 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.061 0.763 -2.392 1.00 0.00 H new ATOM 1199 N VAL A 74 5.281 -2.025 -4.452 1.00 0.00 N ATOM 1200 CA VAL A 74 4.217 -3.017 -4.551 1.00 0.00 C ATOM 1201 C VAL A 74 4.518 -4.040 -5.640 1.00 0.00 C ATOM 1202 O VAL A 74 4.932 -3.684 -6.744 1.00 0.00 O ATOM 1203 CB VAL A 74 2.854 -2.357 -4.841 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.752 -3.405 -4.877 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.545 -1.295 -3.798 1.00 0.00 C ATOM 0 H VAL A 74 5.450 -1.501 -5.310 1.00 0.00 H new ATOM 0 HA VAL A 74 4.167 -3.522 -3.586 1.00 0.00 H new ATOM 0 HB VAL A 74 2.904 -1.876 -5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.797 -2.922 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.967 -4.132 -5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.701 -3.913 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.580 -0.839 -4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.513 -1.754 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.321 -0.529 -3.818 1.00 0.00 H new ATOM 1215 N PHE A 75 4.305 -5.313 -5.323 1.00 0.00 N ATOM 1216 CA PHE A 75 4.555 -6.390 -6.273 1.00 0.00 C ATOM 1217 C PHE A 75 3.271 -7.149 -6.586 1.00 0.00 C ATOM 1218 O PHE A 75 2.443 -7.382 -5.704 1.00 0.00 O ATOM 1219 CB PHE A 75 5.617 -7.348 -5.729 1.00 0.00 C ATOM 1220 CG PHE A 75 6.932 -6.688 -5.428 1.00 0.00 C ATOM 1221 CD1 PHE A 75 7.893 -6.539 -6.417 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.211 -6.214 -4.154 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.103 -5.933 -6.141 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.421 -5.606 -3.877 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.367 -5.466 -4.870 1.00 0.00 C ATOM 0 H PHE A 75 3.960 -5.624 -4.415 1.00 0.00 H new ATOM 0 HA PHE A 75 4.924 -5.946 -7.197 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.239 -7.816 -4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.779 -8.146 -6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.693 -6.901 -7.415 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.475 -6.321 -3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.843 -5.825 -6.920 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.626 -5.240 -2.882 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.313 -4.992 -4.653 1.00 0.00 H new ATOM 1235 N LEU A 76 3.108 -7.532 -7.848 1.00 0.00 N ATOM 1236 CA LEU A 76 1.899 -8.218 -8.290 1.00 0.00 C ATOM 1237 C LEU A 76 2.143 -9.717 -8.431 1.00 0.00 C ATOM 1238 O LEU A 76 3.164 -10.143 -8.974 1.00 0.00 O ATOM 1239 CB LEU A 76 1.407 -7.628 -9.617 1.00 0.00 C ATOM 1240 CG LEU A 76 1.110 -6.123 -9.592 1.00 0.00 C ATOM 1241 CD1 LEU A 76 0.702 -5.648 -10.980 1.00 0.00 C ATOM 1242 CD2 LEU A 76 0.008 -5.840 -8.581 1.00 0.00 C ATOM 0 H LEU A 76 3.798 -7.379 -8.583 1.00 0.00 H new ATOM 0 HA LEU A 76 1.128 -8.071 -7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.158 -7.821 -10.383 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.502 -8.156 -9.918 1.00 0.00 H new ATOM 0 HG LEU A 76 2.007 -5.580 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.493 -4.579 -10.952 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.512 -5.841 -11.683 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.192 -6.184 -11.300 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.203 -4.771 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.894 -6.383 -8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.331 -6.163 -7.591 1.00 0.00 H new ATOM 1254 N LYS A 77 1.200 -10.514 -7.941 1.00 0.00 N ATOM 1255 CA LYS A 77 1.296 -11.965 -8.044 1.00 0.00 C ATOM 1256 C LYS A 77 0.049 -12.548 -8.704 1.00 0.00 C ATOM 1257 O LYS A 77 -0.736 -13.245 -8.061 1.00 0.00 O ATOM 1258 CB LYS A 77 1.502 -12.588 -6.663 1.00 0.00 C ATOM 1259 CG LYS A 77 2.788 -12.163 -5.966 1.00 0.00 C ATOM 1260 CD LYS A 77 4.015 -12.601 -6.754 1.00 0.00 C ATOM 1261 CE LYS A 77 5.300 -12.221 -6.035 1.00 0.00 C ATOM 1262 NZ LYS A 77 6.508 -12.597 -6.818 1.00 0.00 N ATOM 0 H LYS A 77 0.360 -10.179 -7.468 1.00 0.00 H new ATOM 0 HA LYS A 77 2.158 -12.202 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.655 -12.324 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.499 -13.673 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.798 -11.080 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.822 -12.595 -4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.986 -13.680 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.999 -12.140 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.308 -11.147 -5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.331 -12.713 -5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.362 -12.321 -6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.515 -13.625 -6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.493 -12.108 -7.736 1.00 0.00 H new ATOM 1276 N SER A 78 -0.125 -12.257 -9.989 1.00 0.00 N ATOM 1277 CA SER A 78 -1.208 -12.847 -10.766 1.00 0.00 C ATOM 1278 C SER A 78 -0.944 -12.707 -12.262 1.00 0.00 C ATOM 1279 O SER A 78 -0.148 -11.869 -12.686 1.00 0.00 O ATOM 1280 CB SER A 78 -2.530 -12.201 -10.397 1.00 0.00 C ATOM 1281 OG SER A 78 -2.609 -10.875 -10.844 1.00 0.00 O ATOM 0 H SER A 78 0.470 -11.616 -10.514 1.00 0.00 H new ATOM 0 HA SER A 78 -1.259 -13.910 -10.531 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.348 -12.778 -10.828 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.657 -12.227 -9.315 1.00 0.00 H new ATOM 0 HG SER A 78 -3.499 -10.515 -10.645 1.00 0.00 H new ATOM 1287 N ILE A 79 -1.615 -13.534 -13.055 1.00 0.00 N ATOM 1288 CA ILE A 79 -1.505 -13.458 -14.506 1.00 0.00 C ATOM 1289 C ILE A 79 -2.793 -12.931 -15.130 1.00 0.00 C ATOM 1290 O ILE A 79 -2.775 -11.969 -15.895 1.00 0.00 O ATOM 1291 CB ILE A 79 -1.171 -14.830 -15.121 1.00 0.00 C ATOM 1292 CG1 ILE A 79 0.176 -15.335 -14.597 1.00 0.00 C ATOM 1293 CG2 ILE A 79 -1.156 -14.743 -16.639 1.00 0.00 C ATOM 1294 CD1 ILE A 79 0.504 -16.749 -15.022 1.00 0.00 C ATOM 0 H ILE A 79 -2.241 -14.265 -12.717 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.691 -12.766 -14.723 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.944 -15.540 -14.826 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.964 -14.668 -14.946 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.174 -15.284 -13.508 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.918 -15.721 -17.057 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.136 -14.425 -16.995 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.403 -14.021 -16.955 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.473 -17.036 -14.613 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.263 -17.428 -14.650 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.539 -16.803 -16.110 1.00 0.00 H new ATOM 1306 N ASN A 80 -3.910 -13.567 -14.793 1.00 0.00 N ATOM 1307 CA ASN A 80 -5.208 -13.163 -15.320 1.00 0.00 C ATOM 1308 C ASN A 80 -5.604 -11.787 -14.796 1.00 0.00 C ATOM 1309 O ASN A 80 -5.105 -11.337 -13.763 1.00 0.00 O ATOM 1310 CB ASN A 80 -6.284 -14.182 -14.992 1.00 0.00 C ATOM 1311 CG ASN A 80 -6.158 -15.466 -15.764 1.00 0.00 C ATOM 1312 OD1 ASN A 80 -5.480 -15.529 -16.797 1.00 0.00 O ATOM 1313 ND2 ASN A 80 -6.873 -16.467 -15.317 1.00 0.00 N ATOM 0 H ASN A 80 -3.942 -14.364 -14.157 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.116 -13.109 -16.405 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.248 -14.405 -13.926 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.261 -13.742 -15.193 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.888 -17.351 -15.826 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.415 -16.364 -14.459 1.00 0.00 H new ATOM 1320 N ARG A 81 -6.504 -11.121 -15.512 1.00 0.00 N ATOM 1321 CA ARG A 81 -6.918 -9.770 -15.155 1.00 0.00 C ATOM 1322 C ARG A 81 -8.397 -9.736 -14.781 1.00 0.00 C ATOM 1323 O ARG A 81 -9.132 -10.692 -15.028 1.00 0.00 O ATOM 1324 CB ARG A 81 -6.593 -8.761 -16.247 1.00 0.00 C ATOM 1325 CG ARG A 81 -5.112 -8.607 -16.555 1.00 0.00 C ATOM 1326 CD ARG A 81 -4.812 -7.658 -17.658 1.00 0.00 C ATOM 1327 NE ARG A 81 -3.396 -7.509 -17.954 1.00 0.00 N ATOM 1328 CZ ARG A 81 -2.902 -6.787 -18.980 1.00 0.00 C ATOM 1329 NH1 ARG A 81 -3.701 -6.178 -19.828 1.00 0.00 N ATOM 1330 NH2 ARG A 81 -1.590 -6.725 -19.124 1.00 0.00 N ATOM 0 H ARG A 81 -6.961 -11.496 -16.344 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.342 -9.475 -14.278 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.110 -9.056 -17.160 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.991 -7.790 -15.954 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.598 -8.272 -15.654 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.703 -9.584 -16.811 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.326 -7.993 -18.559 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.222 -6.681 -17.402 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.731 -7.983 -17.343 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.712 -6.247 -19.716 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.309 -5.636 -20.598 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.981 -7.215 -18.469 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.186 -6.187 -19.890 1.00 0.00 H new ATOM 1344 N ALA A 82 -8.826 -8.628 -14.186 1.00 0.00 N ATOM 1345 CA ALA A 82 -10.224 -8.455 -13.811 1.00 0.00 C ATOM 1346 C ALA A 82 -10.583 -6.976 -13.701 1.00 0.00 C ATOM 1347 O ALA A 82 -9.720 -6.132 -13.458 1.00 0.00 O ATOM 1348 CB ALA A 82 -10.510 -9.168 -12.498 1.00 0.00 C ATOM 0 H ALA A 82 -8.226 -7.837 -13.953 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.842 -8.896 -14.593 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.558 -9.030 -12.230 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.300 -10.232 -12.609 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.877 -8.753 -11.713 1.00 0.00 H new ATOM 1354 N LYS A 83 -11.863 -6.669 -13.884 1.00 0.00 N ATOM 1355 CA LYS A 83 -12.353 -5.305 -13.720 1.00 0.00 C ATOM 1356 C LYS A 83 -12.121 -4.810 -12.296 1.00 0.00 C ATOM 1357 O LYS A 83 -11.398 -3.838 -12.077 1.00 0.00 O ATOM 1358 CB LYS A 83 -13.839 -5.223 -14.072 1.00 0.00 C ATOM 1359 CG LYS A 83 -14.440 -3.829 -13.943 1.00 0.00 C ATOM 1360 CD LYS A 83 -15.906 -3.817 -14.353 1.00 0.00 C ATOM 1361 CE LYS A 83 -16.511 -2.429 -14.206 1.00 0.00 C ATOM 1362 NZ LYS A 83 -17.949 -2.406 -14.590 1.00 0.00 N ATOM 0 H LYS A 83 -12.580 -7.346 -14.146 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.795 -4.663 -14.401 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.977 -5.572 -15.095 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -14.391 -5.905 -13.425 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.346 -3.484 -12.913 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.881 -3.131 -14.566 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -15.999 -4.149 -15.387 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.463 -4.525 -13.740 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.406 -2.095 -13.174 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.958 -1.724 -14.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.323 -1.443 -14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.048 -2.700 -15.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.482 -3.059 -13.980 1.00 0.00 H new ATOM 1376 N ASP A 84 -12.736 -5.486 -11.332 1.00 0.00 N ATOM 1377 CA ASP A 84 -12.492 -5.200 -9.923 1.00 0.00 C ATOM 1378 C ASP A 84 -11.129 -5.728 -9.488 1.00 0.00 C ATOM 1379 O ASP A 84 -11.070 -6.738 -8.789 1.00 0.00 O ATOM 1380 CB ASP A 84 -13.596 -5.806 -9.052 1.00 0.00 C ATOM 1381 CG ASP A 84 -13.485 -5.470 -7.571 1.00 0.00 C ATOM 1382 OD1 ASP A 84 -12.536 -4.821 -7.199 1.00 0.00 O ATOM 1383 OD2 ASP A 84 -14.420 -5.729 -6.852 1.00 0.00 O ATOM 1384 OXT ASP A 84 -10.129 -5.159 -9.829 1.00 0.00 O ATOM 0 H ASP A 84 -13.407 -6.236 -11.500 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.498 -4.118 -9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.562 -5.460 -9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.580 -6.890 -9.168 1.00 0.00 H new TER 1389 ASP A 84