USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 581 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 22 THR OG1 : rot 180:sc= -0.0457 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.624 K(o=-0.67,f=0.78) USER MOD Set 2.1: A 7 THR OG1 : rot 112:sc= 1.32 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.986 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 156:sc= 1.21 (180deg=-0.548) USER MOD Set 3.2: A 68 HIS : no HE2:sc= 0.615 K(o=1.8,f=-9.3!) USER MOD Single : A 1 MET CE :methyl 162:sc=-0.00328 (180deg=-0.388) USER MOD Single : A 1 MET N :NH3+ 137:sc= 1.88 (180deg=0.0593) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 1.18 (180deg=0.981) USER MOD Single : A 31 GLN : amide:sc= 0.181 X(o=0.18,f=0.11) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.04) USER MOD Single : A 40 GLN : amide:sc=-0.00534 X(o=-0.0053,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.0342 X(o=-0.034,f=-0.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.302 X(o=0.3,f=-0.12) USER MOD Single : A 55 THR OG1 : rot -89:sc= 0.911 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -46:sc= 0.0741 USER MOD Single : A 60 ASN : amide:sc= -0.0913 X(o=-0.091,f=-0.2) USER MOD Single : A 62 GLN : amide:sc= -0.71 X(o=-0.71,f=-1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -86:sc= 1.32 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.411 -1.711 3.978 1.00 0.00 N ATOM 2 CA MET A 1 -13.264 -2.449 2.705 1.00 0.00 C ATOM 3 C MET A 1 -12.025 -3.329 2.764 1.00 0.00 C ATOM 4 O MET A 1 -11.373 -3.384 3.798 1.00 0.00 O ATOM 5 CB MET A 1 -13.117 -1.521 1.486 1.00 0.00 C ATOM 6 CG MET A 1 -14.208 -0.475 1.320 1.00 0.00 C ATOM 7 SD MET A 1 -14.001 0.972 2.382 1.00 0.00 S ATOM 8 CE MET A 1 -12.743 1.868 1.435 1.00 0.00 C ATOM 0 H1 MET A 1 -13.673 -0.724 3.779 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.153 -2.157 4.554 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.510 -1.732 4.497 1.00 0.00 H new ATOM 0 HA MET A 1 -14.174 -3.037 2.584 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.157 -1.010 1.555 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.088 -2.135 0.586 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.231 -0.150 0.280 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.174 -0.934 1.532 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.721 2.910 1.754 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.767 1.415 1.608 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.983 1.819 0.373 1.00 0.00 H new ATOM 18 N GLN A 2 -11.659 -3.996 1.669 1.00 0.00 N ATOM 19 CA GLN A 2 -10.468 -4.823 1.572 1.00 0.00 C ATOM 20 C GLN A 2 -9.845 -4.541 0.210 1.00 0.00 C ATOM 21 O GLN A 2 -10.570 -4.234 -0.739 1.00 0.00 O ATOM 22 CB GLN A 2 -10.765 -6.331 1.730 1.00 0.00 C ATOM 23 CG GLN A 2 -11.558 -6.947 0.567 1.00 0.00 C ATOM 24 CD GLN A 2 -11.617 -8.466 0.650 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.155 -9.046 1.590 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.074 -9.155 -0.336 1.00 0.00 N ATOM 0 H GLN A 2 -12.201 -3.972 0.805 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.789 -4.573 2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.821 -6.866 1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.321 -6.484 2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.571 -6.545 0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.100 -6.654 -0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.629 -8.668 -1.114 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.100 -10.175 -0.320 1.00 0.00 H new ATOM 35 N ILE A 3 -8.530 -4.666 0.098 1.00 0.00 N ATOM 36 CA ILE A 3 -7.783 -4.484 -1.146 1.00 0.00 C ATOM 37 C ILE A 3 -6.715 -5.581 -1.226 1.00 0.00 C ATOM 38 O ILE A 3 -6.373 -6.196 -0.210 1.00 0.00 O ATOM 39 CB ILE A 3 -7.214 -3.053 -1.315 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.967 -2.718 -0.470 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.305 -1.981 -1.136 1.00 0.00 C ATOM 42 CD1 ILE A 3 -6.143 -2.914 1.032 1.00 0.00 C ATOM 0 H ILE A 3 -7.933 -4.903 0.891 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.462 -4.587 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.857 -3.039 -2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.138 -3.339 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.686 -1.682 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.867 -0.991 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.086 -2.129 -1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.735 -2.063 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.216 -2.654 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.948 -2.272 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.391 -3.956 1.236 1.00 0.00 H new ATOM 54 N PHE A 4 -6.208 -5.843 -2.428 1.00 0.00 N ATOM 55 CA PHE A 4 -5.181 -6.849 -2.677 1.00 0.00 C ATOM 56 C PHE A 4 -3.861 -6.118 -2.882 1.00 0.00 C ATOM 57 O PHE A 4 -3.850 -5.028 -3.454 1.00 0.00 O ATOM 58 CB PHE A 4 -5.546 -7.703 -3.902 1.00 0.00 C ATOM 59 CG PHE A 4 -6.935 -8.313 -3.837 1.00 0.00 C ATOM 60 CD1 PHE A 4 -7.256 -9.215 -2.807 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.915 -7.966 -4.787 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.556 -9.742 -2.704 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.209 -8.503 -4.692 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.536 -9.378 -3.643 1.00 0.00 C ATOM 0 H PHE A 4 -6.506 -5.353 -3.271 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.098 -7.532 -1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.473 -7.086 -4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.813 -8.503 -4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.501 -9.505 -2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.671 -7.286 -5.590 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.801 -10.425 -1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.955 -8.242 -5.428 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.539 -9.770 -3.558 1.00 0.00 H new ATOM 74 N VAL A 5 -2.749 -6.709 -2.458 1.00 0.00 N ATOM 75 CA VAL A 5 -1.416 -6.139 -2.570 1.00 0.00 C ATOM 76 C VAL A 5 -0.461 -7.216 -3.084 1.00 0.00 C ATOM 77 O VAL A 5 -0.273 -8.244 -2.432 1.00 0.00 O ATOM 78 CB VAL A 5 -0.956 -5.568 -1.212 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.362 -4.809 -1.407 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.978 -4.619 -0.561 1.00 0.00 C ATOM 0 H VAL A 5 -2.753 -7.627 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.423 -5.310 -3.278 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.838 -6.419 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.693 -4.403 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.120 -5.490 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.211 -3.994 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.585 -4.258 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.162 -3.773 -1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.912 -5.154 -0.388 1.00 0.00 H new ATOM 90 N LYS A 6 0.115 -6.997 -4.264 1.00 0.00 N ATOM 91 CA LYS A 6 1.065 -7.902 -4.888 1.00 0.00 C ATOM 92 C LYS A 6 2.443 -7.615 -4.290 1.00 0.00 C ATOM 93 O LYS A 6 2.772 -6.444 -4.099 1.00 0.00 O ATOM 94 CB LYS A 6 1.080 -7.647 -6.400 1.00 0.00 C ATOM 95 CG LYS A 6 1.677 -8.845 -7.147 1.00 0.00 C ATOM 96 CD LYS A 6 0.606 -9.714 -7.827 1.00 0.00 C ATOM 97 CE LYS A 6 0.174 -9.215 -9.217 1.00 0.00 C ATOM 98 NZ LYS A 6 1.320 -9.044 -10.138 1.00 0.00 N ATOM 0 H LYS A 6 -0.073 -6.164 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 6 0.791 -8.942 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.065 -7.462 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.661 -6.751 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.379 -8.486 -7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.246 -9.458 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.986 -10.731 -7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.271 -9.760 -7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.534 -9.922 -9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.349 -8.264 -9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.988 -9.110 -11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.756 -8.113 -9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.023 -9.789 -9.960 1.00 0.00 H new ATOM 112 N THR A 7 3.250 -8.637 -4.031 1.00 0.00 N ATOM 113 CA THR A 7 4.586 -8.501 -3.458 1.00 0.00 C ATOM 114 C THR A 7 5.681 -8.729 -4.507 1.00 0.00 C ATOM 115 O THR A 7 5.437 -9.340 -5.554 1.00 0.00 O ATOM 116 CB THR A 7 4.745 -9.527 -2.320 1.00 0.00 C ATOM 117 OG1 THR A 7 4.600 -10.821 -2.860 1.00 0.00 O ATOM 118 CG2 THR A 7 3.714 -9.391 -1.198 1.00 0.00 C ATOM 0 H THR A 7 2.989 -9.605 -4.217 1.00 0.00 H new ATOM 0 HA THR A 7 4.695 -7.485 -3.080 1.00 0.00 H new ATOM 0 HB THR A 7 5.728 -9.345 -1.886 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.458 -11.293 -2.814 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.899 -10.152 -0.439 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.795 -8.402 -0.747 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.712 -9.523 -1.607 1.00 0.00 H new ATOM 126 N LEU A 8 6.915 -8.317 -4.180 1.00 0.00 N ATOM 127 CA LEU A 8 8.100 -8.479 -5.028 1.00 0.00 C ATOM 128 C LEU A 8 8.411 -9.966 -5.210 1.00 0.00 C ATOM 129 O LEU A 8 9.067 -10.350 -6.180 1.00 0.00 O ATOM 130 CB LEU A 8 9.331 -7.795 -4.400 1.00 0.00 C ATOM 131 CG LEU A 8 9.387 -6.268 -4.583 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.523 -5.692 -3.729 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.665 -5.877 -6.040 1.00 0.00 C ATOM 0 H LEU A 8 7.119 -7.851 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 8 7.885 -8.015 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.349 -8.019 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.231 -8.231 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 8 8.417 -5.872 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.563 -4.610 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.344 -5.926 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.471 -6.130 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.696 -4.791 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.623 -6.293 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.874 -6.268 -6.679 1.00 0.00 H new ATOM 145 N THR A 9 7.947 -10.812 -4.287 1.00 0.00 N ATOM 146 CA THR A 9 8.131 -12.252 -4.323 1.00 0.00 C ATOM 147 C THR A 9 7.197 -12.890 -5.367 1.00 0.00 C ATOM 148 O THR A 9 7.257 -14.099 -5.604 1.00 0.00 O ATOM 149 CB THR A 9 7.931 -12.818 -2.906 1.00 0.00 C ATOM 150 OG1 THR A 9 6.660 -12.475 -2.388 1.00 0.00 O ATOM 151 CG2 THR A 9 8.978 -12.281 -1.924 1.00 0.00 C ATOM 0 H THR A 9 7.418 -10.498 -3.473 1.00 0.00 H new ATOM 0 HA THR A 9 9.145 -12.498 -4.637 1.00 0.00 H new ATOM 0 HB THR A 9 8.027 -13.899 -3.003 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.562 -12.849 -1.488 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.801 -12.705 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.975 -12.561 -2.266 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.904 -11.195 -1.871 1.00 0.00 H new ATOM 159 N GLY A 10 6.337 -12.092 -6.007 1.00 0.00 N ATOM 160 CA GLY A 10 5.389 -12.508 -7.023 1.00 0.00 C ATOM 161 C GLY A 10 4.141 -13.113 -6.401 1.00 0.00 C ATOM 162 O GLY A 10 3.473 -13.925 -7.042 1.00 0.00 O ATOM 0 H GLY A 10 6.287 -11.091 -5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.113 -11.651 -7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.858 -13.237 -7.684 1.00 0.00 H new ATOM 166 N LYS A 11 3.874 -12.803 -5.132 1.00 0.00 N ATOM 167 CA LYS A 11 2.747 -13.296 -4.358 1.00 0.00 C ATOM 168 C LYS A 11 1.677 -12.215 -4.244 1.00 0.00 C ATOM 169 O LYS A 11 1.906 -11.077 -4.643 1.00 0.00 O ATOM 170 CB LYS A 11 3.287 -13.660 -2.965 1.00 0.00 C ATOM 171 CG LYS A 11 2.517 -14.812 -2.316 1.00 0.00 C ATOM 172 CD LYS A 11 2.925 -15.037 -0.855 1.00 0.00 C ATOM 173 CE LYS A 11 2.546 -13.839 0.029 1.00 0.00 C ATOM 174 NZ LYS A 11 2.752 -14.146 1.458 1.00 0.00 N ATOM 0 H LYS A 11 4.469 -12.171 -4.596 1.00 0.00 H new ATOM 0 HA LYS A 11 2.293 -14.163 -4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.339 -13.933 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.234 -12.784 -2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.448 -14.604 -2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.690 -15.726 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.441 -15.937 -0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.000 -15.206 -0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.146 -12.973 -0.250 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.503 -13.573 -0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.488 -13.320 2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.161 -14.958 1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.753 -14.377 1.623 1.00 0.00 H new ATOM 188 N THR A 12 0.528 -12.538 -3.659 1.00 0.00 N ATOM 189 CA THR A 12 -0.557 -11.591 -3.450 1.00 0.00 C ATOM 190 C THR A 12 -1.043 -11.768 -2.013 1.00 0.00 C ATOM 191 O THR A 12 -1.193 -12.901 -1.540 1.00 0.00 O ATOM 192 CB THR A 12 -1.681 -11.771 -4.493 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.162 -11.825 -5.810 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.687 -10.617 -4.436 1.00 0.00 C ATOM 0 H THR A 12 0.324 -13.476 -3.314 1.00 0.00 H new ATOM 0 HA THR A 12 -0.209 -10.568 -3.591 1.00 0.00 H new ATOM 0 HB THR A 12 -2.176 -12.711 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.898 -11.941 -6.447 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.465 -10.775 -5.183 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.139 -10.577 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.174 -9.677 -4.640 1.00 0.00 H new ATOM 202 N ILE A 13 -1.279 -10.655 -1.323 1.00 0.00 N ATOM 203 CA ILE A 13 -1.754 -10.538 0.053 1.00 0.00 C ATOM 204 C ILE A 13 -3.075 -9.746 0.001 1.00 0.00 C ATOM 205 O ILE A 13 -3.292 -8.982 -0.940 1.00 0.00 O ATOM 206 CB ILE A 13 -0.657 -9.828 0.898 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.632 -10.688 0.939 1.00 0.00 C ATOM 208 CG2 ILE A 13 -1.131 -9.505 2.330 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.827 -10.017 1.631 1.00 0.00 C ATOM 0 H ILE A 13 -1.131 -9.739 -1.746 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.942 -11.504 0.523 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.443 -8.877 0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.412 -11.625 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.916 -10.942 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.328 -9.011 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.999 -8.847 2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.402 -10.429 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.684 -10.691 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.080 -9.095 1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.567 -9.788 2.665 1.00 0.00 H new ATOM 221 N THR A 14 -3.941 -9.887 1.005 1.00 0.00 N ATOM 222 CA THR A 14 -5.218 -9.189 1.116 1.00 0.00 C ATOM 223 C THR A 14 -5.192 -8.467 2.463 1.00 0.00 C ATOM 224 O THR A 14 -4.787 -9.063 3.467 1.00 0.00 O ATOM 225 CB THR A 14 -6.408 -10.162 1.017 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.237 -11.077 -0.053 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.716 -9.380 0.822 1.00 0.00 C ATOM 0 H THR A 14 -3.764 -10.513 1.790 1.00 0.00 H new ATOM 0 HA THR A 14 -5.350 -8.483 0.296 1.00 0.00 H new ATOM 0 HB THR A 14 -6.456 -10.727 1.948 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.006 -11.683 -0.091 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.550 -10.078 0.753 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.870 -8.712 1.669 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.656 -8.794 -0.095 1.00 0.00 H new ATOM 235 N LEU A 15 -5.574 -7.186 2.496 1.00 0.00 N ATOM 236 CA LEU A 15 -5.597 -6.379 3.718 1.00 0.00 C ATOM 237 C LEU A 15 -6.985 -5.792 3.899 1.00 0.00 C ATOM 238 O LEU A 15 -7.721 -5.635 2.921 1.00 0.00 O ATOM 239 CB LEU A 15 -4.605 -5.197 3.675 1.00 0.00 C ATOM 240 CG LEU A 15 -3.180 -5.493 3.189 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.395 -4.184 3.083 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.449 -6.442 4.136 1.00 0.00 C ATOM 0 H LEU A 15 -5.879 -6.676 1.667 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.315 -7.041 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.027 -4.425 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.539 -4.775 4.678 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.251 -5.973 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.383 -4.394 2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.890 -3.520 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.353 -3.705 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.443 -6.629 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.388 -5.992 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.993 -7.384 4.199 1.00 0.00 H new ATOM 254 N GLU A 16 -7.330 -5.466 5.141 1.00 0.00 N ATOM 255 CA GLU A 16 -8.596 -4.853 5.495 1.00 0.00 C ATOM 256 C GLU A 16 -8.262 -3.374 5.641 1.00 0.00 C ATOM 257 O GLU A 16 -7.206 -3.006 6.164 1.00 0.00 O ATOM 258 CB GLU A 16 -9.215 -5.474 6.752 1.00 0.00 C ATOM 259 CG GLU A 16 -10.586 -4.832 7.001 1.00 0.00 C ATOM 260 CD GLU A 16 -11.457 -5.640 7.954 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.532 -6.119 7.524 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.155 -5.756 9.160 1.00 0.00 O ATOM 0 H GLU A 16 -6.721 -5.626 5.943 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.367 -5.013 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.321 -6.552 6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.563 -5.315 7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.444 -3.831 7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.106 -4.719 6.050 1.00 0.00 H new ATOM 269 N VAL A 17 -9.151 -2.523 5.157 1.00 0.00 N ATOM 270 CA VAL A 17 -9.011 -1.086 5.149 1.00 0.00 C ATOM 271 C VAL A 17 -10.320 -0.402 5.401 1.00 0.00 C ATOM 272 O VAL A 17 -11.326 -0.951 5.846 1.00 0.00 O ATOM 273 CB VAL A 17 -8.346 -0.647 3.819 1.00 0.00 C ATOM 274 CG1 VAL A 17 -9.109 -0.022 2.638 1.00 0.00 C ATOM 275 CG2 VAL A 17 -6.886 -0.265 4.007 1.00 0.00 C ATOM 0 H VAL A 17 -10.029 -2.835 4.741 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.362 -0.780 5.969 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.435 -1.590 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.412 0.195 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.869 -0.719 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.587 0.902 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.462 0.035 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.815 0.564 4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.333 -1.120 4.396 1.00 0.00 H new ATOM 285 N GLU A 18 -10.157 0.872 5.171 1.00 0.00 N ATOM 286 CA GLU A 18 -11.083 1.969 5.296 1.00 0.00 C ATOM 287 C GLU A 18 -10.714 3.126 4.352 1.00 0.00 C ATOM 288 O GLU A 18 -9.548 3.255 3.975 1.00 0.00 O ATOM 289 CB GLU A 18 -10.894 2.521 6.711 1.00 0.00 C ATOM 290 CG GLU A 18 -11.524 1.743 7.877 1.00 0.00 C ATOM 291 CD GLU A 18 -13.039 1.594 7.753 1.00 0.00 C ATOM 292 OE1 GLU A 18 -13.545 0.451 7.831 1.00 0.00 O ATOM 293 OE2 GLU A 18 -13.728 2.616 7.539 1.00 0.00 O ATOM 0 H GLU A 18 -9.251 1.211 4.848 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.090 1.617 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.823 2.597 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.294 3.535 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.071 0.753 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.291 2.252 8.812 1.00 0.00 H new ATOM 300 N PRO A 19 -11.664 4.023 4.038 1.00 0.00 N ATOM 301 CA PRO A 19 -11.446 5.185 3.186 1.00 0.00 C ATOM 302 C PRO A 19 -10.664 6.292 3.917 1.00 0.00 C ATOM 303 O PRO A 19 -9.848 6.969 3.290 1.00 0.00 O ATOM 304 CB PRO A 19 -12.854 5.672 2.815 1.00 0.00 C ATOM 305 CG PRO A 19 -13.685 5.264 4.028 1.00 0.00 C ATOM 306 CD PRO A 19 -13.062 3.939 4.422 1.00 0.00 C ATOM 0 HA PRO A 19 -10.848 4.930 2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.879 6.749 2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.216 5.202 1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.619 5.998 4.831 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.741 5.158 3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.162 3.764 5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.556 3.110 3.916 1.00 0.00 H new ATOM 314 N SER A 20 -10.916 6.520 5.213 1.00 0.00 N ATOM 315 CA SER A 20 -10.245 7.551 6.002 1.00 0.00 C ATOM 316 C SER A 20 -8.910 7.083 6.585 1.00 0.00 C ATOM 317 O SER A 20 -8.252 7.881 7.261 1.00 0.00 O ATOM 318 CB SER A 20 -11.196 8.092 7.087 1.00 0.00 C ATOM 319 OG SER A 20 -11.727 9.344 6.683 1.00 0.00 O ATOM 0 H SER A 20 -11.601 5.984 5.746 1.00 0.00 H new ATOM 0 HA SER A 20 -9.993 8.369 5.327 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.005 7.383 7.260 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.661 8.201 8.030 1.00 0.00 H new ATOM 0 HG SER A 20 -12.332 9.682 7.376 1.00 0.00 H new ATOM 325 N ASP A 21 -8.494 5.831 6.362 1.00 0.00 N ATOM 326 CA ASP A 21 -7.219 5.358 6.885 1.00 0.00 C ATOM 327 C ASP A 21 -6.118 6.033 6.073 1.00 0.00 C ATOM 328 O ASP A 21 -6.134 5.988 4.835 1.00 0.00 O ATOM 329 CB ASP A 21 -7.109 3.824 6.810 1.00 0.00 C ATOM 330 CG ASP A 21 -7.390 3.128 8.147 1.00 0.00 C ATOM 331 OD1 ASP A 21 -6.913 1.987 8.329 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.085 3.701 9.025 1.00 0.00 O ATOM 0 H ASP A 21 -9.019 5.138 5.828 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.127 5.615 7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.809 3.453 6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.108 3.555 6.472 1.00 0.00 H new ATOM 337 N THR A 22 -5.198 6.723 6.752 1.00 0.00 N ATOM 338 CA THR A 22 -4.097 7.378 6.061 1.00 0.00 C ATOM 339 C THR A 22 -3.205 6.283 5.485 1.00 0.00 C ATOM 340 O THR A 22 -3.167 5.171 6.024 1.00 0.00 O ATOM 341 CB THR A 22 -3.323 8.325 6.984 1.00 0.00 C ATOM 342 OG1 THR A 22 -2.867 7.613 8.110 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.185 9.507 7.427 1.00 0.00 C ATOM 0 H THR A 22 -5.197 6.839 7.765 1.00 0.00 H new ATOM 0 HA THR A 22 -4.480 8.009 5.259 1.00 0.00 H new ATOM 0 HB THR A 22 -2.474 8.724 6.429 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.371 8.218 8.700 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.603 10.157 8.080 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.509 10.069 6.551 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.058 9.139 7.966 1.00 0.00 H new ATOM 351 N ILE A 23 -2.432 6.591 4.443 1.00 0.00 N ATOM 352 CA ILE A 23 -1.547 5.617 3.809 1.00 0.00 C ATOM 353 C ILE A 23 -0.572 4.992 4.817 1.00 0.00 C ATOM 354 O ILE A 23 -0.094 3.885 4.569 1.00 0.00 O ATOM 355 CB ILE A 23 -0.872 6.257 2.575 1.00 0.00 C ATOM 356 CG1 ILE A 23 -1.915 6.681 1.506 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.198 5.363 1.922 1.00 0.00 C ATOM 358 CD1 ILE A 23 -2.996 5.650 1.147 1.00 0.00 C ATOM 0 H ILE A 23 -2.402 7.518 4.018 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.131 4.773 3.443 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.365 7.142 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.411 7.586 1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.379 6.943 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.628 5.878 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.984 5.148 2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.259 4.429 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.660 6.068 0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.524 4.748 0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.572 5.401 2.038 1.00 0.00 H new ATOM 370 N GLU A 24 -0.286 5.647 5.944 1.00 0.00 N ATOM 371 CA GLU A 24 0.605 5.117 6.968 1.00 0.00 C ATOM 372 C GLU A 24 -0.032 3.882 7.628 1.00 0.00 C ATOM 373 O GLU A 24 0.679 2.935 7.954 1.00 0.00 O ATOM 374 CB GLU A 24 0.985 6.221 7.964 1.00 0.00 C ATOM 375 CG GLU A 24 1.745 7.339 7.231 1.00 0.00 C ATOM 376 CD GLU A 24 2.473 8.300 8.172 1.00 0.00 C ATOM 377 OE1 GLU A 24 1.917 8.680 9.226 1.00 0.00 O ATOM 378 OE2 GLU A 24 3.602 8.726 7.840 1.00 0.00 O ATOM 0 H GLU A 24 -0.670 6.565 6.169 1.00 0.00 H new ATOM 0 HA GLU A 24 1.539 4.781 6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.088 6.625 8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.604 5.809 8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.469 6.890 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.042 7.905 6.619 1.00 0.00 H new ATOM 385 N ASN A 25 -1.366 3.842 7.762 1.00 0.00 N ATOM 386 CA ASN A 25 -2.098 2.705 8.345 1.00 0.00 C ATOM 387 C ASN A 25 -1.973 1.559 7.371 1.00 0.00 C ATOM 388 O ASN A 25 -1.631 0.437 7.712 1.00 0.00 O ATOM 389 CB ASN A 25 -3.616 2.929 8.482 1.00 0.00 C ATOM 390 CG ASN A 25 -3.909 3.906 9.575 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.388 3.566 10.652 1.00 0.00 O ATOM 392 ND2 ASN A 25 -3.572 5.147 9.331 1.00 0.00 N ATOM 0 H ASN A 25 -1.974 4.605 7.466 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.676 2.540 9.336 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.021 3.298 7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.111 1.981 8.692 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.705 5.862 10.046 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.176 5.399 8.426 1.00 0.00 H new ATOM 399 N VAL A 26 -2.265 1.864 6.114 1.00 0.00 N ATOM 400 CA VAL A 26 -2.235 0.958 4.987 1.00 0.00 C ATOM 401 C VAL A 26 -0.810 0.384 4.858 1.00 0.00 C ATOM 402 O VAL A 26 -0.628 -0.779 4.502 1.00 0.00 O ATOM 403 CB VAL A 26 -2.784 1.744 3.774 1.00 0.00 C ATOM 404 CG1 VAL A 26 -3.040 0.824 2.574 1.00 0.00 C ATOM 405 CG2 VAL A 26 -4.098 2.488 4.126 1.00 0.00 C ATOM 0 H VAL A 26 -2.545 2.807 5.844 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.869 0.077 5.090 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.019 2.473 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.425 1.412 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.107 0.343 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.770 0.062 2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.455 3.030 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.852 1.766 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.911 3.192 4.937 1.00 0.00 H new ATOM 415 N LYS A 27 0.215 1.181 5.183 1.00 0.00 N ATOM 416 CA LYS A 27 1.619 0.796 5.151 1.00 0.00 C ATOM 417 C LYS A 27 1.909 -0.102 6.359 1.00 0.00 C ATOM 418 O LYS A 27 2.663 -1.066 6.235 1.00 0.00 O ATOM 419 CB LYS A 27 2.484 2.061 5.102 1.00 0.00 C ATOM 420 CG LYS A 27 3.978 1.740 5.101 1.00 0.00 C ATOM 421 CD LYS A 27 4.813 2.871 4.505 1.00 0.00 C ATOM 422 CE LYS A 27 4.698 4.202 5.248 1.00 0.00 C ATOM 423 NZ LYS A 27 5.694 5.166 4.743 1.00 0.00 N ATOM 0 H LYS A 27 0.078 2.145 5.486 1.00 0.00 H new ATOM 0 HA LYS A 27 1.861 0.218 4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.237 2.634 4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.250 2.692 5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.307 1.548 6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.151 0.826 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.859 2.566 4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.512 3.021 3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.694 4.609 5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.847 4.043 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.601 6.064 5.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.651 4.783 4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.534 5.332 3.729 1.00 0.00 H new ATOM 437 N ALA A 28 1.321 0.181 7.518 1.00 0.00 N ATOM 438 CA ALA A 28 1.491 -0.617 8.721 1.00 0.00 C ATOM 439 C ALA A 28 0.866 -2.002 8.488 1.00 0.00 C ATOM 440 O ALA A 28 1.468 -3.036 8.784 1.00 0.00 O ATOM 441 CB ALA A 28 0.839 0.116 9.902 1.00 0.00 C ATOM 0 H ALA A 28 0.705 0.984 7.646 1.00 0.00 H new ATOM 0 HA ALA A 28 2.546 -0.757 8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.961 -0.475 10.810 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.315 1.088 10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.223 0.257 9.701 1.00 0.00 H new ATOM 447 N LYS A 29 -0.322 -2.027 7.880 1.00 0.00 N ATOM 448 CA LYS A 29 -1.099 -3.217 7.551 1.00 0.00 C ATOM 449 C LYS A 29 -0.340 -4.147 6.613 1.00 0.00 C ATOM 450 O LYS A 29 -0.478 -5.360 6.758 1.00 0.00 O ATOM 451 CB LYS A 29 -2.445 -2.786 6.956 1.00 0.00 C ATOM 452 CG LYS A 29 -3.369 -2.226 8.048 1.00 0.00 C ATOM 453 CD LYS A 29 -4.516 -1.399 7.454 1.00 0.00 C ATOM 454 CE LYS A 29 -5.607 -1.151 8.498 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.383 -2.377 8.766 1.00 0.00 N ATOM 0 H LYS A 29 -0.791 -1.169 7.589 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.278 -3.787 8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.283 -2.030 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.922 -3.637 6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.779 -3.048 8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.790 -1.606 8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.132 -0.446 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.940 -1.921 6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.153 -0.796 9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.276 -0.364 8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.215 -2.142 9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.693 -2.795 7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.788 -3.060 9.278 1.00 0.00 H new ATOM 469 N ILE A 30 0.432 -3.631 5.648 1.00 0.00 N ATOM 470 CA ILE A 30 1.183 -4.526 4.772 1.00 0.00 C ATOM 471 C ILE A 30 2.388 -5.069 5.548 1.00 0.00 C ATOM 472 O ILE A 30 2.657 -6.263 5.465 1.00 0.00 O ATOM 473 CB ILE A 30 1.535 -3.893 3.408 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.230 -4.888 2.459 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.385 -2.626 3.519 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.391 -6.126 2.116 1.00 0.00 C ATOM 0 H ILE A 30 0.549 -2.635 5.461 1.00 0.00 H new ATOM 0 HA ILE A 30 0.552 -5.369 4.491 1.00 0.00 H new ATOM 0 HB ILE A 30 0.570 -3.611 2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.488 -4.371 1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.166 -5.213 2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.592 -2.238 2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.845 -1.875 4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.324 -2.861 4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.955 -6.773 1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.155 -6.670 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.466 -5.815 1.630 1.00 0.00 H new ATOM 488 N GLN A 31 3.087 -4.243 6.343 1.00 0.00 N ATOM 489 CA GLN A 31 4.244 -4.684 7.129 1.00 0.00 C ATOM 490 C GLN A 31 3.841 -5.824 8.073 1.00 0.00 C ATOM 491 O GLN A 31 4.622 -6.751 8.300 1.00 0.00 O ATOM 492 CB GLN A 31 4.860 -3.510 7.897 1.00 0.00 C ATOM 493 CG GLN A 31 5.609 -2.542 6.971 1.00 0.00 C ATOM 494 CD GLN A 31 6.038 -1.310 7.756 1.00 0.00 C ATOM 495 OE1 GLN A 31 7.053 -1.302 8.446 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.208 -0.284 7.762 1.00 0.00 N ATOM 0 H GLN A 31 2.865 -3.254 6.457 1.00 0.00 H new ATOM 0 HA GLN A 31 5.006 -5.064 6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.074 -2.970 8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.547 -3.892 8.652 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.482 -3.035 6.543 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.968 -2.250 6.139 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.368 -0.304 7.184 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.406 0.529 8.345 1.00 0.00 H new ATOM 505 N ASP A 32 2.596 -5.816 8.553 1.00 0.00 N ATOM 506 CA ASP A 32 2.024 -6.832 9.437 1.00 0.00 C ATOM 507 C ASP A 32 1.961 -8.223 8.770 1.00 0.00 C ATOM 508 O ASP A 32 1.729 -9.230 9.438 1.00 0.00 O ATOM 509 CB ASP A 32 0.637 -6.353 9.890 1.00 0.00 C ATOM 510 CG ASP A 32 -0.191 -7.413 10.608 1.00 0.00 C ATOM 511 OD1 ASP A 32 -1.232 -7.820 10.047 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.117 -7.747 11.774 1.00 0.00 O ATOM 0 H ASP A 32 1.934 -5.073 8.328 1.00 0.00 H new ATOM 0 HA ASP A 32 2.672 -6.955 10.305 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.760 -5.496 10.552 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.083 -6.006 9.018 1.00 0.00 H new ATOM 517 N LYS A 33 2.210 -8.298 7.457 1.00 0.00 N ATOM 518 CA LYS A 33 2.204 -9.508 6.637 1.00 0.00 C ATOM 519 C LYS A 33 3.403 -9.550 5.683 1.00 0.00 C ATOM 520 O LYS A 33 3.450 -10.436 4.828 1.00 0.00 O ATOM 521 CB LYS A 33 0.884 -9.546 5.847 1.00 0.00 C ATOM 522 CG LYS A 33 -0.320 -9.724 6.778 1.00 0.00 C ATOM 523 CD LYS A 33 -1.640 -9.530 6.041 1.00 0.00 C ATOM 524 CE LYS A 33 -2.819 -9.563 7.016 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.847 -8.422 7.957 1.00 0.00 N ATOM 0 H LYS A 33 2.433 -7.466 6.910 1.00 0.00 H new ATOM 0 HA LYS A 33 2.284 -10.381 7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.772 -8.623 5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.913 -10.363 5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.294 -10.720 7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.254 -9.010 7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.628 -8.578 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.761 -10.312 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.749 -9.576 6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.781 -10.491 7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.723 -8.455 8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.027 -8.477 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.811 -7.530 7.423 1.00 0.00 H new ATOM 539 N GLU A 34 4.366 -8.634 5.813 1.00 0.00 N ATOM 540 CA GLU A 34 5.552 -8.542 4.959 1.00 0.00 C ATOM 541 C GLU A 34 6.840 -8.613 5.792 1.00 0.00 C ATOM 542 O GLU A 34 7.838 -9.162 5.331 1.00 0.00 O ATOM 543 CB GLU A 34 5.449 -7.249 4.130 1.00 0.00 C ATOM 544 CG GLU A 34 6.394 -7.176 2.924 1.00 0.00 C ATOM 545 CD GLU A 34 5.874 -7.918 1.693 1.00 0.00 C ATOM 546 OE1 GLU A 34 5.870 -7.297 0.607 1.00 0.00 O ATOM 547 OE2 GLU A 34 5.525 -9.111 1.809 1.00 0.00 O ATOM 0 H GLU A 34 4.341 -7.915 6.536 1.00 0.00 H new ATOM 0 HA GLU A 34 5.596 -9.391 4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.424 -7.143 3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.651 -6.400 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.559 -6.130 2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.362 -7.591 3.206 1.00 0.00 H new ATOM 554 N GLY A 35 6.836 -8.079 7.020 1.00 0.00 N ATOM 555 CA GLY A 35 7.980 -8.093 7.927 1.00 0.00 C ATOM 556 C GLY A 35 9.216 -7.365 7.395 1.00 0.00 C ATOM 557 O GLY A 35 10.311 -7.928 7.440 1.00 0.00 O ATOM 0 H GLY A 35 6.017 -7.616 7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.684 -7.638 8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.247 -9.128 8.140 1.00 0.00 H new ATOM 561 N ILE A 36 9.054 -6.162 6.838 1.00 0.00 N ATOM 562 CA ILE A 36 10.138 -5.333 6.298 1.00 0.00 C ATOM 563 C ILE A 36 9.939 -3.886 6.770 1.00 0.00 C ATOM 564 O ILE A 36 8.829 -3.555 7.205 1.00 0.00 O ATOM 565 CB ILE A 36 10.261 -5.477 4.759 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.965 -5.212 3.965 1.00 0.00 C ATOM 567 CG2 ILE A 36 10.753 -6.892 4.419 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.605 -3.737 3.803 1.00 0.00 C ATOM 0 H ILE A 36 8.138 -5.724 6.747 1.00 0.00 H new ATOM 0 HA ILE A 36 11.097 -5.679 6.683 1.00 0.00 H new ATOM 0 HB ILE A 36 10.967 -4.703 4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.064 -5.658 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.140 -5.721 4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.841 -6.997 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.727 -7.059 4.880 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.041 -7.626 4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.681 -3.649 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.469 -3.286 4.786 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.408 -3.222 3.275 1.00 0.00 H new ATOM 580 N PRO A 37 10.968 -3.022 6.740 1.00 0.00 N ATOM 581 CA PRO A 37 10.843 -1.633 7.172 1.00 0.00 C ATOM 582 C PRO A 37 10.043 -0.797 6.160 1.00 0.00 C ATOM 583 O PRO A 37 9.965 -1.169 4.991 1.00 0.00 O ATOM 584 CB PRO A 37 12.280 -1.090 7.251 1.00 0.00 C ATOM 585 CG PRO A 37 13.180 -2.312 7.077 1.00 0.00 C ATOM 586 CD PRO A 37 12.320 -3.269 6.270 1.00 0.00 C ATOM 0 HA PRO A 37 10.316 -1.575 8.124 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.465 -0.351 6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.463 -0.599 8.207 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.102 -2.061 6.553 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.466 -2.741 8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.410 -3.079 5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.615 -4.305 6.436 1.00 0.00 H new ATOM 594 N PRO A 38 9.510 0.378 6.548 1.00 0.00 N ATOM 595 CA PRO A 38 8.776 1.246 5.627 1.00 0.00 C ATOM 596 C PRO A 38 9.658 1.686 4.441 1.00 0.00 C ATOM 597 O PRO A 38 9.149 1.938 3.347 1.00 0.00 O ATOM 598 CB PRO A 38 8.361 2.467 6.459 1.00 0.00 C ATOM 599 CG PRO A 38 8.404 1.978 7.903 1.00 0.00 C ATOM 600 CD PRO A 38 9.514 0.931 7.893 1.00 0.00 C ATOM 0 HA PRO A 38 7.920 0.726 5.198 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.042 3.304 6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.364 2.813 6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.625 2.790 8.595 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.450 1.549 8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.479 1.379 8.131 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.330 0.156 8.637 1.00 0.00 H new ATOM 608 N ASP A 39 10.963 1.845 4.691 1.00 0.00 N ATOM 609 CA ASP A 39 11.993 2.244 3.735 1.00 0.00 C ATOM 610 C ASP A 39 12.328 1.087 2.789 1.00 0.00 C ATOM 611 O ASP A 39 12.300 -0.069 3.208 1.00 0.00 O ATOM 612 CB ASP A 39 13.251 2.626 4.518 1.00 0.00 C ATOM 613 CG ASP A 39 14.412 2.939 3.580 1.00 0.00 C ATOM 614 OD1 ASP A 39 15.405 2.179 3.635 1.00 0.00 O ATOM 615 OD2 ASP A 39 14.291 3.907 2.793 1.00 0.00 O ATOM 0 H ASP A 39 11.347 1.688 5.623 1.00 0.00 H new ATOM 0 HA ASP A 39 11.631 3.085 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.043 3.493 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.529 1.810 5.185 1.00 0.00 H new ATOM 620 N GLN A 40 12.741 1.385 1.551 1.00 0.00 N ATOM 621 CA GLN A 40 13.076 0.402 0.512 1.00 0.00 C ATOM 622 C GLN A 40 11.811 -0.338 0.048 1.00 0.00 C ATOM 623 O GLN A 40 11.903 -1.409 -0.551 1.00 0.00 O ATOM 624 CB GLN A 40 14.207 -0.561 0.929 1.00 0.00 C ATOM 625 CG GLN A 40 14.936 -1.164 -0.293 1.00 0.00 C ATOM 626 CD GLN A 40 15.274 -2.641 -0.133 1.00 0.00 C ATOM 627 OE1 GLN A 40 16.438 -3.033 -0.143 1.00 0.00 O ATOM 628 NE2 GLN A 40 14.285 -3.502 0.027 1.00 0.00 N ATOM 0 H GLN A 40 12.855 2.348 1.234 1.00 0.00 H new ATOM 0 HA GLN A 40 13.477 0.952 -0.340 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.925 -0.028 1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.792 -1.365 1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.312 -1.036 -1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.856 -0.606 -0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.319 -3.174 0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.487 -4.495 0.143 1.00 0.00 H new ATOM 637 N ASN A 41 10.621 0.225 0.277 1.00 0.00 N ATOM 638 CA ASN A 41 9.354 -0.385 -0.098 1.00 0.00 C ATOM 639 C ASN A 41 8.293 0.701 -0.300 1.00 0.00 C ATOM 640 O ASN A 41 8.476 1.803 0.217 1.00 0.00 O ATOM 641 CB ASN A 41 8.949 -1.312 1.061 1.00 0.00 C ATOM 642 CG ASN A 41 8.243 -2.553 0.558 1.00 0.00 C ATOM 643 OD1 ASN A 41 7.050 -2.528 0.278 1.00 0.00 O ATOM 644 ND2 ASN A 41 8.972 -3.647 0.414 1.00 0.00 N ATOM 0 H ASN A 41 10.516 1.130 0.735 1.00 0.00 H new ATOM 0 HA ASN A 41 9.445 -0.942 -1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.836 -1.600 1.625 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.296 -0.774 1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.543 -4.503 0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.963 -3.635 0.656 1.00 0.00 H new ATOM 651 N ARG A 42 7.209 0.436 -1.043 1.00 0.00 N ATOM 652 CA ARG A 42 6.099 1.373 -1.277 1.00 0.00 C ATOM 653 C ARG A 42 4.949 0.703 -2.011 1.00 0.00 C ATOM 654 O ARG A 42 5.176 -0.281 -2.715 1.00 0.00 O ATOM 655 CB ARG A 42 6.500 2.639 -2.049 1.00 0.00 C ATOM 656 CG ARG A 42 6.935 2.416 -3.499 1.00 0.00 C ATOM 657 CD ARG A 42 6.960 3.761 -4.224 1.00 0.00 C ATOM 658 NE ARG A 42 7.376 3.603 -5.623 1.00 0.00 N ATOM 659 CZ ARG A 42 7.800 4.586 -6.419 1.00 0.00 C ATOM 660 NH1 ARG A 42 7.726 5.855 -6.050 1.00 0.00 N ATOM 661 NH2 ARG A 42 8.302 4.283 -7.604 1.00 0.00 N ATOM 0 H ARG A 42 7.076 -0.460 -1.511 1.00 0.00 H new ATOM 0 HA ARG A 42 5.786 1.679 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.657 3.330 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.315 3.127 -1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.922 1.954 -3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.248 1.733 -3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.970 4.216 -4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.643 4.440 -3.713 1.00 0.00 H new ATOM 0 HE ARG A 42 7.338 2.664 -6.019 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.338 6.099 -5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.057 6.588 -6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.361 3.308 -7.899 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.630 5.024 -8.223 1.00 0.00 H new ATOM 675 N LEU A 43 3.751 1.279 -1.883 1.00 0.00 N ATOM 676 CA LEU A 43 2.516 0.816 -2.507 1.00 0.00 C ATOM 677 C LEU A 43 2.270 1.603 -3.797 1.00 0.00 C ATOM 678 O LEU A 43 2.630 2.777 -3.909 1.00 0.00 O ATOM 679 CB LEU A 43 1.311 1.050 -1.568 1.00 0.00 C ATOM 680 CG LEU A 43 1.081 0.073 -0.400 1.00 0.00 C ATOM 681 CD1 LEU A 43 0.636 -1.310 -0.885 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.266 0.004 0.566 1.00 0.00 C ATOM 0 H LEU A 43 3.613 2.116 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 43 2.618 -0.249 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.410 2.051 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.410 1.050 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 43 0.254 0.483 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.486 -1.965 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.298 -1.218 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.403 -1.732 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.042 -0.701 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.155 -0.327 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.446 0.991 0.992 1.00 0.00 H new ATOM 694 N ILE A 44 1.582 0.973 -4.748 1.00 0.00 N ATOM 695 CA ILE A 44 1.200 1.502 -6.055 1.00 0.00 C ATOM 696 C ILE A 44 -0.218 0.988 -6.334 1.00 0.00 C ATOM 697 O ILE A 44 -0.521 -0.129 -5.933 1.00 0.00 O ATOM 698 CB ILE A 44 2.157 0.961 -7.155 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.660 1.223 -6.920 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.769 1.442 -8.568 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.105 2.688 -6.986 1.00 0.00 C ATOM 0 H ILE A 44 1.255 0.016 -4.616 1.00 0.00 H new ATOM 0 HA ILE A 44 1.250 2.591 -6.061 1.00 0.00 H new ATOM 0 HB ILE A 44 2.018 -0.118 -7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.929 0.826 -5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.227 0.658 -7.660 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.470 1.035 -9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.761 1.101 -8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.801 2.531 -8.603 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.178 2.751 -6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.878 3.093 -7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.576 3.264 -6.227 1.00 0.00 H new ATOM 713 N PHE A 45 -1.071 1.740 -7.032 1.00 0.00 N ATOM 714 CA PHE A 45 -2.439 1.363 -7.416 1.00 0.00 C ATOM 715 C PHE A 45 -2.600 1.921 -8.827 1.00 0.00 C ATOM 716 O PHE A 45 -2.796 3.128 -9.004 1.00 0.00 O ATOM 717 CB PHE A 45 -3.514 1.951 -6.491 1.00 0.00 C ATOM 718 CG PHE A 45 -4.914 1.710 -7.039 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.755 2.802 -7.305 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.333 0.414 -7.397 1.00 0.00 C ATOM 721 CE1 PHE A 45 -7.005 2.615 -7.923 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.563 0.229 -8.057 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.406 1.326 -8.309 1.00 0.00 C ATOM 0 H PHE A 45 -0.819 2.672 -7.362 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.573 0.283 -7.350 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.428 1.504 -5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.348 3.022 -6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.439 3.798 -7.032 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.711 -0.438 -7.165 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.654 3.460 -8.100 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.861 -0.760 -8.371 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.358 1.178 -8.797 1.00 0.00 H new ATOM 733 N ALA A 46 -2.525 1.041 -9.826 1.00 0.00 N ATOM 734 CA ALA A 46 -2.646 1.364 -11.240 1.00 0.00 C ATOM 735 C ALA A 46 -1.701 2.515 -11.605 1.00 0.00 C ATOM 736 O ALA A 46 -2.125 3.593 -12.040 1.00 0.00 O ATOM 737 CB ALA A 46 -4.115 1.611 -11.611 1.00 0.00 C ATOM 0 H ALA A 46 -2.372 0.046 -9.661 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.329 0.515 -11.846 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.187 1.851 -12.672 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.699 0.715 -11.401 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.504 2.443 -11.023 1.00 0.00 H new ATOM 743 N GLY A 47 -0.412 2.297 -11.350 1.00 0.00 N ATOM 744 CA GLY A 47 0.674 3.224 -11.615 1.00 0.00 C ATOM 745 C GLY A 47 0.769 4.414 -10.666 1.00 0.00 C ATOM 746 O GLY A 47 1.830 5.035 -10.616 1.00 0.00 O ATOM 0 H GLY A 47 -0.086 1.425 -10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.615 2.675 -11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.567 3.601 -12.632 1.00 0.00 H new ATOM 750 N LYS A 48 -0.282 4.762 -9.915 1.00 0.00 N ATOM 751 CA LYS A 48 -0.237 5.892 -9.001 1.00 0.00 C ATOM 752 C LYS A 48 0.649 5.528 -7.823 1.00 0.00 C ATOM 753 O LYS A 48 0.442 4.479 -7.213 1.00 0.00 O ATOM 754 CB LYS A 48 -1.653 6.275 -8.564 1.00 0.00 C ATOM 755 CG LYS A 48 -1.651 7.582 -7.751 1.00 0.00 C ATOM 756 CD LYS A 48 -2.879 8.445 -8.048 1.00 0.00 C ATOM 757 CE LYS A 48 -2.749 9.069 -9.439 1.00 0.00 C ATOM 758 NZ LYS A 48 -3.908 9.919 -9.765 1.00 0.00 N ATOM 0 H LYS A 48 -1.175 4.270 -9.928 1.00 0.00 H new ATOM 0 HA LYS A 48 0.188 6.766 -9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.288 6.391 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.081 5.472 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.622 7.347 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.747 8.148 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.783 7.838 -7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.975 9.228 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.837 9.663 -9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.655 8.280 -10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.785 10.325 -10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.776 9.346 -9.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.982 10.687 -9.068 1.00 0.00 H new ATOM 772 N GLN A 49 1.641 6.369 -7.554 1.00 0.00 N ATOM 773 CA GLN A 49 2.590 6.197 -6.466 1.00 0.00 C ATOM 774 C GLN A 49 1.885 6.663 -5.199 1.00 0.00 C ATOM 775 O GLN A 49 1.455 7.819 -5.130 1.00 0.00 O ATOM 776 CB GLN A 49 3.886 6.987 -6.710 1.00 0.00 C ATOM 777 CG GLN A 49 4.547 6.746 -8.075 1.00 0.00 C ATOM 778 CD GLN A 49 4.092 7.758 -9.127 1.00 0.00 C ATOM 779 OE1 GLN A 49 4.609 8.871 -9.200 1.00 0.00 O ATOM 780 NE2 GLN A 49 3.117 7.422 -9.954 1.00 0.00 N ATOM 0 H GLN A 49 1.810 7.212 -8.103 1.00 0.00 H new ATOM 0 HA GLN A 49 2.893 5.153 -6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.669 8.051 -6.611 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.601 6.733 -5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.630 6.800 -7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.311 5.738 -8.417 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.690 6.498 -9.891 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.791 8.087 -10.656 1.00 0.00 H new ATOM 789 N LEU A 50 1.738 5.773 -4.221 1.00 0.00 N ATOM 790 CA LEU A 50 1.056 6.071 -2.970 1.00 0.00 C ATOM 791 C LEU A 50 2.086 6.353 -1.885 1.00 0.00 C ATOM 792 O LEU A 50 3.097 5.651 -1.797 1.00 0.00 O ATOM 793 CB LEU A 50 0.140 4.889 -2.600 1.00 0.00 C ATOM 794 CG LEU A 50 -0.794 4.445 -3.749 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.633 3.240 -3.340 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.726 5.567 -4.212 1.00 0.00 C ATOM 0 H LEU A 50 2.092 4.818 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 50 0.434 6.960 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.757 4.043 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.466 5.166 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.143 4.175 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.280 2.950 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.976 2.409 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.244 3.499 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.361 5.203 -5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.350 5.889 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.133 6.409 -4.568 1.00 0.00 H new ATOM 808 N GLU A 51 1.865 7.391 -1.081 1.00 0.00 N ATOM 809 CA GLU A 51 2.735 7.788 0.013 1.00 0.00 C ATOM 810 C GLU A 51 1.890 8.420 1.123 1.00 0.00 C ATOM 811 O GLU A 51 0.673 8.559 0.987 1.00 0.00 O ATOM 812 CB GLU A 51 3.868 8.693 -0.492 1.00 0.00 C ATOM 813 CG GLU A 51 3.573 10.201 -0.514 1.00 0.00 C ATOM 814 CD GLU A 51 4.543 10.942 -1.441 1.00 0.00 C ATOM 815 OE1 GLU A 51 5.126 11.985 -1.063 1.00 0.00 O ATOM 816 OE2 GLU A 51 4.731 10.511 -2.602 1.00 0.00 O ATOM 0 H GLU A 51 1.049 7.995 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 51 3.229 6.915 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.745 8.525 0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.131 8.381 -1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.549 10.369 -0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.651 10.604 0.496 1.00 0.00 H new ATOM 823 N ASP A 52 2.530 8.741 2.243 1.00 0.00 N ATOM 824 CA ASP A 52 1.907 9.347 3.416 1.00 0.00 C ATOM 825 C ASP A 52 1.304 10.733 3.159 1.00 0.00 C ATOM 826 O ASP A 52 1.365 11.272 2.051 1.00 0.00 O ATOM 827 CB ASP A 52 2.907 9.388 4.581 1.00 0.00 C ATOM 828 CG ASP A 52 4.112 10.280 4.290 1.00 0.00 C ATOM 829 OD1 ASP A 52 3.971 11.518 4.196 1.00 0.00 O ATOM 830 OD2 ASP A 52 5.211 9.708 4.103 1.00 0.00 O ATOM 0 H ASP A 52 3.530 8.581 2.364 1.00 0.00 H new ATOM 0 HA ASP A 52 1.062 8.711 3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.401 9.748 5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.252 8.376 4.795 1.00 0.00 H new ATOM 835 N GLY A 53 0.673 11.303 4.192 1.00 0.00 N ATOM 836 CA GLY A 53 0.039 12.615 4.143 1.00 0.00 C ATOM 837 C GLY A 53 -1.303 12.621 3.413 1.00 0.00 C ATOM 838 O GLY A 53 -1.931 13.676 3.299 1.00 0.00 O ATOM 0 H GLY A 53 0.590 10.851 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.109 12.975 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.713 13.317 3.652 1.00 0.00 H new ATOM 842 N ARG A 54 -1.759 11.459 2.948 1.00 0.00 N ATOM 843 CA ARG A 54 -2.984 11.192 2.219 1.00 0.00 C ATOM 844 C ARG A 54 -3.700 10.005 2.854 1.00 0.00 C ATOM 845 O ARG A 54 -3.166 9.350 3.754 1.00 0.00 O ATOM 846 CB ARG A 54 -2.566 10.782 0.801 1.00 0.00 C ATOM 847 CG ARG A 54 -1.718 11.800 0.035 1.00 0.00 C ATOM 848 CD ARG A 54 -2.582 12.965 -0.423 1.00 0.00 C ATOM 849 NE ARG A 54 -1.796 13.921 -1.213 1.00 0.00 N ATOM 850 CZ ARG A 54 -2.278 14.940 -1.928 1.00 0.00 C ATOM 851 NH1 ARG A 54 -3.578 15.036 -2.174 1.00 0.00 N ATOM 852 NH2 ARG A 54 -1.441 15.850 -2.410 1.00 0.00 N ATOM 0 H ARG A 54 -1.223 10.603 3.089 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.639 12.063 2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.009 9.847 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.467 10.579 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.911 12.164 0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.253 11.322 -0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.415 12.593 -1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.010 13.468 0.444 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.784 13.794 -1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.219 14.328 -1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.937 15.818 -2.721 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.440 15.767 -2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.799 16.633 -2.958 1.00 0.00 H new ATOM 866 N THR A 55 -4.873 9.693 2.324 1.00 0.00 N ATOM 867 CA THR A 55 -5.736 8.599 2.727 1.00 0.00 C ATOM 868 C THR A 55 -6.094 7.792 1.493 1.00 0.00 C ATOM 869 O THR A 55 -5.837 8.192 0.350 1.00 0.00 O ATOM 870 CB THR A 55 -7.028 9.100 3.401 1.00 0.00 C ATOM 871 OG1 THR A 55 -7.735 9.963 2.537 1.00 0.00 O ATOM 872 CG2 THR A 55 -6.823 9.796 4.736 1.00 0.00 C ATOM 0 H THR A 55 -5.270 10.232 1.554 1.00 0.00 H new ATOM 0 HA THR A 55 -5.202 7.989 3.455 1.00 0.00 H new ATOM 0 HB THR A 55 -7.601 8.196 3.609 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.427 10.884 2.671 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.787 10.113 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.351 9.107 5.437 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.184 10.668 4.597 1.00 0.00 H new ATOM 880 N LEU A 56 -6.725 6.647 1.730 1.00 0.00 N ATOM 881 CA LEU A 56 -7.166 5.770 0.665 1.00 0.00 C ATOM 882 C LEU A 56 -8.223 6.496 -0.184 1.00 0.00 C ATOM 883 O LEU A 56 -8.279 6.314 -1.402 1.00 0.00 O ATOM 884 CB LEU A 56 -7.712 4.491 1.309 1.00 0.00 C ATOM 885 CG LEU A 56 -7.439 3.252 0.442 1.00 0.00 C ATOM 886 CD1 LEU A 56 -6.730 2.163 1.247 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.732 2.737 -0.172 1.00 0.00 C ATOM 0 H LEU A 56 -6.942 6.306 2.666 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.348 5.501 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.256 4.355 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.785 4.594 1.468 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.772 3.541 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.549 1.298 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.779 2.545 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.355 1.868 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.520 1.859 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.429 2.467 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.174 3.515 -0.795 1.00 0.00 H new ATOM 899 N SER A 57 -9.038 7.344 0.457 1.00 0.00 N ATOM 900 CA SER A 57 -10.078 8.124 -0.195 1.00 0.00 C ATOM 901 C SER A 57 -9.465 9.310 -0.940 1.00 0.00 C ATOM 902 O SER A 57 -9.949 9.635 -2.029 1.00 0.00 O ATOM 903 CB SER A 57 -11.067 8.616 0.856 1.00 0.00 C ATOM 904 OG SER A 57 -12.262 9.109 0.288 1.00 0.00 O ATOM 0 H SER A 57 -8.985 7.504 1.463 1.00 0.00 H new ATOM 0 HA SER A 57 -10.599 7.498 -0.919 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.303 7.799 1.538 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.600 9.402 1.450 1.00 0.00 H new ATOM 0 HG SER A 57 -12.863 9.410 1.001 1.00 0.00 H new ATOM 910 N ASP A 58 -8.403 9.937 -0.413 1.00 0.00 N ATOM 911 CA ASP A 58 -7.741 11.074 -1.066 1.00 0.00 C ATOM 912 C ASP A 58 -7.182 10.593 -2.393 1.00 0.00 C ATOM 913 O ASP A 58 -7.323 11.276 -3.407 1.00 0.00 O ATOM 914 CB ASP A 58 -6.572 11.659 -0.263 1.00 0.00 C ATOM 915 CG ASP A 58 -6.985 12.458 0.962 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.391 12.193 2.030 1.00 0.00 O ATOM 917 OD2 ASP A 58 -7.875 13.332 0.872 1.00 0.00 O ATOM 0 H ASP A 58 -7.980 9.670 0.476 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.491 11.858 -1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.921 10.844 0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.983 12.301 -0.918 1.00 0.00 H new ATOM 922 N TYR A 59 -6.550 9.415 -2.408 1.00 0.00 N ATOM 923 CA TYR A 59 -6.004 8.853 -3.635 1.00 0.00 C ATOM 924 C TYR A 59 -7.114 8.243 -4.497 1.00 0.00 C ATOM 925 O TYR A 59 -6.859 7.901 -5.656 1.00 0.00 O ATOM 926 CB TYR A 59 -4.959 7.785 -3.299 1.00 0.00 C ATOM 927 CG TYR A 59 -3.569 8.336 -3.081 1.00 0.00 C ATOM 928 CD1 TYR A 59 -2.842 8.819 -4.184 1.00 0.00 C ATOM 929 CD2 TYR A 59 -2.979 8.314 -1.808 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.516 9.256 -4.028 1.00 0.00 C ATOM 931 CE2 TYR A 59 -1.653 8.747 -1.648 1.00 0.00 C ATOM 932 CZ TYR A 59 -0.914 9.222 -2.753 1.00 0.00 C ATOM 933 OH TYR A 59 0.377 9.621 -2.584 1.00 0.00 O ATOM 0 H TYR A 59 -6.407 8.836 -1.580 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.532 9.656 -4.201 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.273 7.253 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.927 7.055 -4.108 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.307 8.854 -5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.542 7.966 -0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.960 9.616 -4.881 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.194 8.716 -0.671 1.00 0.00 H new ATOM 0 HH TYR A 59 0.937 9.222 -3.282 1.00 0.00 H new ATOM 943 N ASN A 60 -8.340 8.140 -3.969 1.00 0.00 N ATOM 944 CA ASN A 60 -9.521 7.572 -4.603 1.00 0.00 C ATOM 945 C ASN A 60 -9.154 6.187 -5.148 1.00 0.00 C ATOM 946 O ASN A 60 -8.946 5.971 -6.347 1.00 0.00 O ATOM 947 CB ASN A 60 -10.153 8.561 -5.594 1.00 0.00 C ATOM 948 CG ASN A 60 -11.157 7.884 -6.482 1.00 0.00 C ATOM 949 OD1 ASN A 60 -12.162 7.323 -6.056 1.00 0.00 O ATOM 950 ND2 ASN A 60 -10.821 7.832 -7.751 1.00 0.00 N ATOM 0 H ASN A 60 -8.539 8.475 -3.026 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.328 7.407 -3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.637 9.368 -5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.372 9.014 -6.205 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.402 7.315 -8.412 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.980 8.308 -8.076 1.00 0.00 H new ATOM 957 N ILE A 61 -9.014 5.249 -4.216 1.00 0.00 N ATOM 958 CA ILE A 61 -8.669 3.852 -4.439 1.00 0.00 C ATOM 959 C ILE A 61 -9.935 3.070 -4.109 1.00 0.00 C ATOM 960 O ILE A 61 -10.477 3.170 -3.004 1.00 0.00 O ATOM 961 CB ILE A 61 -7.462 3.436 -3.568 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.231 4.323 -3.850 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.132 1.944 -3.774 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.062 4.056 -2.901 1.00 0.00 C ATOM 0 H ILE A 61 -9.147 5.458 -3.227 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.354 3.657 -5.464 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.736 3.583 -2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.901 4.159 -4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.521 5.371 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.279 1.671 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.994 1.339 -3.494 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.889 1.766 -4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.230 4.713 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.376 4.247 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.746 3.017 -2.996 1.00 0.00 H new ATOM 976 N GLN A 62 -10.436 2.325 -5.088 1.00 0.00 N ATOM 977 CA GLN A 62 -11.641 1.530 -4.940 1.00 0.00 C ATOM 978 C GLN A 62 -11.295 0.230 -4.229 1.00 0.00 C ATOM 979 O GLN A 62 -10.128 -0.166 -4.156 1.00 0.00 O ATOM 980 CB GLN A 62 -12.266 1.263 -6.317 1.00 0.00 C ATOM 981 CG GLN A 62 -12.803 2.547 -6.970 1.00 0.00 C ATOM 982 CD GLN A 62 -11.685 3.440 -7.498 1.00 0.00 C ATOM 983 OE1 GLN A 62 -11.062 3.174 -8.521 1.00 0.00 O ATOM 984 NE2 GLN A 62 -11.386 4.530 -6.822 1.00 0.00 N ATOM 0 H GLN A 62 -10.011 2.258 -6.013 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.374 2.071 -4.341 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.521 0.809 -6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.078 0.544 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.471 2.283 -7.789 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.395 3.102 -6.242 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.899 4.759 -5.971 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.642 5.145 -7.150 1.00 0.00 H new ATOM 993 N LYS A 63 -12.309 -0.438 -3.691 1.00 0.00 N ATOM 994 CA LYS A 63 -12.120 -1.696 -2.994 1.00 0.00 C ATOM 995 C LYS A 63 -11.721 -2.778 -3.982 1.00 0.00 C ATOM 996 O LYS A 63 -11.909 -2.635 -5.191 1.00 0.00 O ATOM 997 CB LYS A 63 -13.378 -2.052 -2.201 1.00 0.00 C ATOM 998 CG LYS A 63 -14.680 -2.084 -3.014 1.00 0.00 C ATOM 999 CD LYS A 63 -15.836 -2.300 -2.038 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.187 -2.157 -2.733 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.292 -2.217 -1.761 1.00 0.00 N ATOM 0 H LYS A 63 -13.278 -0.122 -3.727 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.308 -1.604 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.233 -3.029 -1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.493 -1.332 -1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.812 -1.150 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.649 -2.885 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.758 -3.292 -1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.766 -1.579 -1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.224 -1.210 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.305 -2.950 -3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.199 -2.117 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.268 -3.131 -1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.190 -1.446 -1.071 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.178 -3.864 -3.441 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.710 -5.035 -4.172 1.00 0.00 C ATOM 1017 C GLU A 64 -9.784 -4.633 -5.336 1.00 0.00 C ATOM 1018 O GLU A 64 -9.810 -5.243 -6.406 1.00 0.00 O ATOM 1019 CB GLU A 64 -11.929 -5.895 -4.565 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.589 -6.532 -3.332 1.00 0.00 C ATOM 1021 CD GLU A 64 -14.014 -6.996 -3.626 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -14.971 -6.276 -3.255 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -14.209 -8.113 -4.159 1.00 0.00 O ATOM 0 H GLU A 64 -11.046 -3.955 -2.434 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.079 -5.662 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.657 -5.277 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.616 -6.677 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.992 -7.381 -2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.603 -5.811 -2.514 1.00 0.00 H new ATOM 1030 N SER A 65 -9.012 -3.558 -5.137 1.00 0.00 N ATOM 1031 CA SER A 65 -8.049 -3.007 -6.080 1.00 0.00 C ATOM 1032 C SER A 65 -6.837 -3.944 -6.175 1.00 0.00 C ATOM 1033 O SER A 65 -6.763 -4.921 -5.422 1.00 0.00 O ATOM 1034 CB SER A 65 -7.677 -1.582 -5.644 1.00 0.00 C ATOM 1035 OG SER A 65 -7.829 -1.369 -4.255 1.00 0.00 O ATOM 0 H SER A 65 -9.049 -3.026 -4.267 1.00 0.00 H new ATOM 0 HA SER A 65 -8.475 -2.937 -7.081 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.643 -1.381 -5.925 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.299 -0.869 -6.185 1.00 0.00 H new ATOM 0 HG SER A 65 -8.753 -1.105 -4.064 1.00 0.00 H new ATOM 1041 N THR A 66 -5.869 -3.660 -7.059 1.00 0.00 N ATOM 1042 CA THR A 66 -4.717 -4.532 -7.211 1.00 0.00 C ATOM 1043 C THR A 66 -3.524 -3.645 -6.999 1.00 0.00 C ATOM 1044 O THR A 66 -2.970 -3.069 -7.939 1.00 0.00 O ATOM 1045 CB THR A 66 -4.731 -5.264 -8.562 1.00 0.00 C ATOM 1046 OG1 THR A 66 -5.966 -5.921 -8.729 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.629 -6.324 -8.640 1.00 0.00 C ATOM 0 H THR A 66 -5.868 -2.842 -7.668 1.00 0.00 H new ATOM 0 HA THR A 66 -4.708 -5.348 -6.488 1.00 0.00 H new ATOM 0 HB THR A 66 -4.569 -4.517 -9.339 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.975 -6.386 -9.591 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.670 -6.821 -9.609 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.656 -5.847 -8.517 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.775 -7.060 -7.849 1.00 0.00 H new ATOM 1055 N LEU A 67 -3.179 -3.466 -5.731 1.00 0.00 N ATOM 1056 CA LEU A 67 -2.047 -2.644 -5.403 1.00 0.00 C ATOM 1057 C LEU A 67 -0.819 -3.501 -5.651 1.00 0.00 C ATOM 1058 O LEU A 67 -0.894 -4.734 -5.647 1.00 0.00 O ATOM 1059 CB LEU A 67 -2.097 -2.122 -3.959 1.00 0.00 C ATOM 1060 CG LEU A 67 -3.179 -1.043 -3.767 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.584 -1.626 -3.603 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.877 -0.165 -2.552 1.00 0.00 C ATOM 0 H LEU A 67 -3.664 -3.876 -4.933 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.034 -1.746 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.291 -2.953 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.124 -1.711 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.158 -0.447 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.301 -0.816 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.845 -2.201 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.608 -2.277 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.659 0.587 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.842 -0.784 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.915 0.329 -2.690 1.00 0.00 H new ATOM 1074 N HIS A 68 0.305 -2.850 -5.880 1.00 0.00 N ATOM 1075 CA HIS A 68 1.571 -3.499 -6.143 1.00 0.00 C ATOM 1076 C HIS A 68 2.620 -2.925 -5.212 1.00 0.00 C ATOM 1077 O HIS A 68 2.468 -1.798 -4.728 1.00 0.00 O ATOM 1078 CB HIS A 68 1.946 -3.286 -7.617 1.00 0.00 C ATOM 1079 CG HIS A 68 2.373 -4.566 -8.273 1.00 0.00 C ATOM 1080 ND1 HIS A 68 3.592 -5.170 -8.097 1.00 0.00 N ATOM 1081 CD2 HIS A 68 1.613 -5.349 -9.097 1.00 0.00 C ATOM 1082 CE1 HIS A 68 3.583 -6.290 -8.845 1.00 0.00 C ATOM 1083 NE2 HIS A 68 2.406 -6.431 -9.485 1.00 0.00 N ATOM 0 H HIS A 68 0.363 -1.832 -5.888 1.00 0.00 H new ATOM 0 HA HIS A 68 1.503 -4.572 -5.961 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.093 -2.870 -8.153 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.752 -2.556 -7.685 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.358 -4.835 -7.512 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.591 -5.165 -9.392 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.409 -6.982 -8.921 1.00 0.00 H new ATOM 1090 N LEU A 69 3.684 -3.689 -4.994 1.00 0.00 N ATOM 1091 CA LEU A 69 4.799 -3.312 -4.148 1.00 0.00 C ATOM 1092 C LEU A 69 6.047 -3.268 -5.006 1.00 0.00 C ATOM 1093 O LEU A 69 6.286 -4.144 -5.840 1.00 0.00 O ATOM 1094 CB LEU A 69 4.970 -4.276 -2.969 1.00 0.00 C ATOM 1095 CG LEU A 69 3.819 -4.206 -1.956 1.00 0.00 C ATOM 1096 CD1 LEU A 69 3.945 -5.332 -0.936 1.00 0.00 C ATOM 1097 CD2 LEU A 69 3.792 -2.888 -1.183 1.00 0.00 C ATOM 0 H LEU A 69 3.793 -4.612 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 69 4.609 -2.330 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.048 -5.294 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.907 -4.053 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 69 2.901 -4.294 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.123 -5.271 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.910 -6.293 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.893 -5.238 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.958 -2.895 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.726 -2.769 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.673 -2.059 -1.881 1.00 0.00 H new ATOM 1109 N VAL A 70 6.798 -2.194 -4.825 1.00 0.00 N ATOM 1110 CA VAL A 70 8.053 -1.868 -5.484 1.00 0.00 C ATOM 1111 C VAL A 70 8.915 -1.175 -4.424 1.00 0.00 C ATOM 1112 O VAL A 70 8.504 -1.081 -3.260 1.00 0.00 O ATOM 1113 CB VAL A 70 7.809 -0.993 -6.735 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.094 -1.752 -7.854 1.00 0.00 C ATOM 1115 CG2 VAL A 70 7.011 0.272 -6.401 1.00 0.00 C ATOM 0 H VAL A 70 6.524 -1.470 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 70 8.564 -2.755 -5.859 1.00 0.00 H new ATOM 0 HB VAL A 70 8.801 -0.710 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.949 -1.090 -8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.698 -2.607 -8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.125 -2.101 -7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.862 0.858 -7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.043 -0.008 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.560 0.867 -5.671 1.00 0.00 H new ATOM 1125 N LEU A 71 10.096 -0.680 -4.791 1.00 0.00 N ATOM 1126 CA LEU A 71 10.983 -0.002 -3.856 1.00 0.00 C ATOM 1127 C LEU A 71 11.358 1.389 -4.344 1.00 0.00 C ATOM 1128 O LEU A 71 11.156 1.748 -5.505 1.00 0.00 O ATOM 1129 CB LEU A 71 12.200 -0.890 -3.546 1.00 0.00 C ATOM 1130 CG LEU A 71 13.164 -1.184 -4.712 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.266 -0.120 -4.825 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.809 -2.559 -4.498 1.00 0.00 C ATOM 0 H LEU A 71 10.461 -0.739 -5.742 1.00 0.00 H new ATOM 0 HA LEU A 71 10.454 0.157 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.770 -0.417 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.836 -1.842 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 71 12.588 -1.169 -5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.924 -0.365 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.813 0.857 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.845 -0.096 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.492 -2.772 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.361 -2.560 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.033 -3.324 -4.464 1.00 0.00 H new