USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 60 ASN : amide:sc= -0.193 K(o=-0.035,f=-0.65) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.158 X(o=-0.035,f=-0.31) USER MOD Set 2.1: A 7 THR OG1 : rot 119:sc= 1.37 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.815 (180deg=-1.79) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.007 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -137:sc= 1.22 (180deg=0.885) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -56:sc= 0.0607 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 25 ASN : amide:sc= 0.777 K(o=0.78,f=-0.9) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0358 X(o=-0.036,f=-0.52) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0422) USER MOD Single : A 40 GLN : amide:sc= 0.868 K(o=0.87,f=-1.6!) USER MOD Single : A 41 ASN : amide:sc= 0.327 K(o=0.33,f=-0.89) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.876 K(o=-0.88,f=-3.1!) USER MOD Single : A 55 THR OG1 : rot -64:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -173:sc= 1.15 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -118:sc= 1.33 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.965 -4.934 -0.116 1.00 0.00 N ATOM 2 CA MET A 1 13.989 -4.229 0.723 1.00 0.00 C ATOM 3 C MET A 1 12.629 -4.860 0.509 1.00 0.00 C ATOM 4 O MET A 1 12.193 -4.939 -0.637 1.00 0.00 O ATOM 5 CB MET A 1 13.970 -2.733 0.366 1.00 0.00 C ATOM 6 CG MET A 1 12.695 -1.968 0.746 1.00 0.00 C ATOM 7 SD MET A 1 12.816 -0.205 0.348 1.00 0.00 S ATOM 8 CE MET A 1 11.815 0.532 1.656 1.00 0.00 C ATOM 0 H1 MET A 1 15.687 -4.263 -0.448 1.00 0.00 H new ATOM 0 H2 MET A 1 15.421 -5.686 0.439 1.00 0.00 H new ATOM 0 H3 MET A 1 14.480 -5.354 -0.935 1.00 0.00 H new ATOM 0 HA MET A 1 14.262 -4.313 1.775 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.818 -2.252 0.854 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.123 -2.634 -0.709 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.843 -2.400 0.221 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.506 -2.086 1.813 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.578 1.563 1.395 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.891 -0.035 1.770 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.371 0.513 2.594 1.00 0.00 H new ATOM 18 N GLN A 2 12.006 -5.390 1.563 1.00 0.00 N ATOM 19 CA GLN A 2 10.673 -5.967 1.464 1.00 0.00 C ATOM 20 C GLN A 2 9.757 -5.204 2.429 1.00 0.00 C ATOM 21 O GLN A 2 10.240 -4.623 3.393 1.00 0.00 O ATOM 22 CB GLN A 2 10.651 -7.494 1.622 1.00 0.00 C ATOM 23 CG GLN A 2 11.216 -8.024 2.940 1.00 0.00 C ATOM 24 CD GLN A 2 10.748 -9.458 3.185 1.00 0.00 C ATOM 25 OE1 GLN A 2 11.140 -10.398 2.496 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.894 -9.669 4.173 1.00 0.00 N ATOM 0 H GLN A 2 12.410 -5.429 2.499 1.00 0.00 H new ATOM 0 HA GLN A 2 10.288 -5.840 0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.621 -7.838 1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.215 -7.936 0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.305 -7.990 2.915 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.896 -7.385 3.763 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.570 -8.888 4.743 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.559 -10.613 4.365 1.00 0.00 H new ATOM 35 N ILE A 3 8.458 -5.113 2.157 1.00 0.00 N ATOM 36 CA ILE A 3 7.481 -4.448 3.019 1.00 0.00 C ATOM 37 C ILE A 3 6.293 -5.392 3.152 1.00 0.00 C ATOM 38 O ILE A 3 6.185 -6.379 2.407 1.00 0.00 O ATOM 39 CB ILE A 3 7.086 -3.027 2.542 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.279 -3.046 1.219 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.320 -2.103 2.506 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.803 -1.664 0.762 1.00 0.00 C ATOM 0 H ILE A 3 8.045 -5.508 1.312 1.00 0.00 H new ATOM 0 HA ILE A 3 7.924 -4.258 3.997 1.00 0.00 H new ATOM 0 HB ILE A 3 6.399 -2.603 3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.896 -3.484 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.412 -3.695 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.022 -1.110 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.751 -2.032 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.061 -2.512 1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.246 -1.761 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.158 -1.230 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.665 -1.016 0.604 1.00 0.00 H new ATOM 54 N PHE A 4 5.377 -5.086 4.059 1.00 0.00 N ATOM 55 CA PHE A 4 4.182 -5.859 4.309 1.00 0.00 C ATOM 56 C PHE A 4 2.969 -4.961 4.134 1.00 0.00 C ATOM 57 O PHE A 4 3.034 -3.756 4.382 1.00 0.00 O ATOM 58 CB PHE A 4 4.180 -6.438 5.726 1.00 0.00 C ATOM 59 CG PHE A 4 5.348 -7.327 6.103 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.372 -8.675 5.695 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.376 -6.829 6.925 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.409 -9.524 6.122 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.414 -7.678 7.348 1.00 0.00 C ATOM 64 CZ PHE A 4 7.426 -9.028 6.956 1.00 0.00 C ATOM 0 H PHE A 4 5.453 -4.264 4.658 1.00 0.00 H new ATOM 0 HA PHE A 4 4.152 -6.688 3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.143 -5.608 6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.261 -7.010 5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.592 -9.058 5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.368 -5.793 7.231 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.424 -10.558 5.809 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.204 -7.292 7.975 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.215 -9.683 7.295 1.00 0.00 H new ATOM 74 N VAL A 5 1.843 -5.554 3.756 1.00 0.00 N ATOM 75 CA VAL A 5 0.591 -4.838 3.571 1.00 0.00 C ATOM 76 C VAL A 5 -0.501 -5.705 4.189 1.00 0.00 C ATOM 77 O VAL A 5 -0.558 -6.908 3.934 1.00 0.00 O ATOM 78 CB VAL A 5 0.318 -4.514 2.083 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.988 -3.718 1.945 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.430 -3.691 1.411 1.00 0.00 C ATOM 0 H VAL A 5 1.775 -6.554 3.568 1.00 0.00 H new ATOM 0 HA VAL A 5 0.627 -3.865 4.061 1.00 0.00 H new ATOM 0 HB VAL A 5 0.262 -5.482 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.169 -3.496 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.816 -4.307 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.907 -2.786 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.166 -3.504 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.545 -2.741 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.368 -4.244 1.454 1.00 0.00 H new ATOM 90 N LYS A 6 -1.303 -5.137 5.086 1.00 0.00 N ATOM 91 CA LYS A 6 -2.427 -5.815 5.733 1.00 0.00 C ATOM 92 C LYS A 6 -3.630 -5.445 4.866 1.00 0.00 C ATOM 93 O LYS A 6 -3.909 -4.251 4.709 1.00 0.00 O ATOM 94 CB LYS A 6 -2.592 -5.307 7.180 1.00 0.00 C ATOM 95 CG LYS A 6 -3.833 -5.859 7.910 1.00 0.00 C ATOM 96 CD LYS A 6 -3.850 -7.385 8.089 1.00 0.00 C ATOM 97 CE LYS A 6 -2.714 -7.943 8.956 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.934 -7.662 10.389 1.00 0.00 N ATOM 0 H LYS A 6 -1.188 -4.171 5.391 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.295 -6.894 5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.702 -5.573 7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.648 -4.219 7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.897 -5.391 8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.724 -5.562 7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.803 -7.674 8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.801 -7.853 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.635 -9.019 8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.767 -7.506 8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.147 -8.054 10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.985 -6.634 10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.826 -8.100 10.696 1.00 0.00 H new ATOM 112 N THR A 7 -4.271 -6.417 4.226 1.00 0.00 N ATOM 113 CA THR A 7 -5.425 -6.148 3.380 1.00 0.00 C ATOM 114 C THR A 7 -6.672 -5.920 4.238 1.00 0.00 C ATOM 115 O THR A 7 -6.695 -6.251 5.424 1.00 0.00 O ATOM 116 CB THR A 7 -5.644 -7.318 2.405 1.00 0.00 C ATOM 117 OG1 THR A 7 -5.865 -8.496 3.138 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.445 -7.553 1.483 1.00 0.00 C ATOM 0 H THR A 7 -4.009 -7.401 4.278 1.00 0.00 H new ATOM 0 HA THR A 7 -5.238 -5.243 2.802 1.00 0.00 H new ATOM 0 HB THR A 7 -6.503 -7.059 1.786 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.753 -8.851 2.926 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.656 -8.390 0.817 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.260 -6.657 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.564 -7.780 2.083 1.00 0.00 H new ATOM 126 N LEU A 8 -7.737 -5.424 3.603 1.00 0.00 N ATOM 127 CA LEU A 8 -9.026 -5.165 4.240 1.00 0.00 C ATOM 128 C LEU A 8 -9.714 -6.470 4.671 1.00 0.00 C ATOM 129 O LEU A 8 -10.687 -6.430 5.417 1.00 0.00 O ATOM 130 CB LEU A 8 -9.942 -4.372 3.284 1.00 0.00 C ATOM 131 CG LEU A 8 -10.533 -5.153 2.082 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.563 -4.283 1.361 1.00 0.00 C ATOM 133 CD2 LEU A 8 -9.480 -5.594 1.053 1.00 0.00 C ATOM 0 H LEU A 8 -7.725 -5.187 2.611 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.842 -4.572 5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.769 -3.964 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.377 -3.525 2.895 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.983 -6.053 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.977 -4.834 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.365 -4.021 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.082 -3.374 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.968 -6.134 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.974 -4.716 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.751 -6.245 1.535 1.00 0.00 H new ATOM 145 N THR A 9 -9.214 -7.615 4.202 1.00 0.00 N ATOM 146 CA THR A 9 -9.710 -8.947 4.505 1.00 0.00 C ATOM 147 C THR A 9 -8.951 -9.564 5.685 1.00 0.00 C ATOM 148 O THR A 9 -9.358 -10.608 6.191 1.00 0.00 O ATOM 149 CB THR A 9 -9.545 -9.822 3.246 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.242 -9.705 2.694 1.00 0.00 O ATOM 151 CG2 THR A 9 -10.545 -9.432 2.161 1.00 0.00 C ATOM 0 H THR A 9 -8.413 -7.633 3.570 1.00 0.00 H new ATOM 0 HA THR A 9 -10.761 -8.887 4.789 1.00 0.00 H new ATOM 0 HB THR A 9 -9.721 -10.849 3.567 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.171 -10.273 1.899 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.401 -10.068 1.288 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.560 -9.558 2.539 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.390 -8.390 1.880 1.00 0.00 H new ATOM 159 N GLY A 10 -7.822 -8.980 6.105 1.00 0.00 N ATOM 160 CA GLY A 10 -7.021 -9.488 7.209 1.00 0.00 C ATOM 161 C GLY A 10 -5.836 -10.324 6.718 1.00 0.00 C ATOM 162 O GLY A 10 -5.189 -10.991 7.530 1.00 0.00 O ATOM 0 H GLY A 10 -7.441 -8.135 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.654 -8.653 7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.647 -10.095 7.863 1.00 0.00 H new ATOM 166 N LYS A 11 -5.575 -10.375 5.403 1.00 0.00 N ATOM 167 CA LYS A 11 -4.451 -11.133 4.860 1.00 0.00 C ATOM 168 C LYS A 11 -3.200 -10.273 5.029 1.00 0.00 C ATOM 169 O LYS A 11 -3.273 -9.048 5.136 1.00 0.00 O ATOM 170 CB LYS A 11 -4.687 -11.455 3.358 1.00 0.00 C ATOM 171 CG LYS A 11 -4.782 -12.950 3.024 1.00 0.00 C ATOM 172 CD LYS A 11 -3.475 -13.735 3.210 1.00 0.00 C ATOM 173 CE LYS A 11 -2.430 -13.545 2.107 1.00 0.00 C ATOM 174 NZ LYS A 11 -2.927 -14.021 0.805 1.00 0.00 N ATOM 0 H LYS A 11 -6.134 -9.895 4.697 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.340 -12.082 5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.607 -10.967 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.875 -11.019 2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.552 -13.400 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.110 -13.057 1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.030 -13.446 4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.715 -14.796 3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.165 -12.490 2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.520 -14.084 2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.177 -14.555 0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.751 -14.638 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.205 -13.207 0.221 1.00 0.00 H new ATOM 188 N THR A 12 -2.037 -10.888 4.893 1.00 0.00 N ATOM 189 CA THR A 12 -0.745 -10.247 5.005 1.00 0.00 C ATOM 190 C THR A 12 -0.061 -10.504 3.675 1.00 0.00 C ATOM 191 O THR A 12 -0.021 -11.648 3.213 1.00 0.00 O ATOM 192 CB THR A 12 0.024 -10.923 6.155 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.751 -10.921 7.338 1.00 0.00 O ATOM 194 CG2 THR A 12 1.394 -10.309 6.448 1.00 0.00 C ATOM 0 H THR A 12 -1.968 -11.886 4.694 1.00 0.00 H new ATOM 0 HA THR A 12 -0.803 -9.179 5.215 1.00 0.00 H new ATOM 0 HB THR A 12 0.208 -11.942 5.815 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.249 -11.356 8.059 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.865 -10.846 7.271 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.023 -10.382 5.561 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.272 -9.261 6.721 1.00 0.00 H new ATOM 202 N ILE A 13 0.501 -9.468 3.072 1.00 0.00 N ATOM 203 CA ILE A 13 1.216 -9.534 1.806 1.00 0.00 C ATOM 204 C ILE A 13 2.669 -9.186 2.133 1.00 0.00 C ATOM 205 O ILE A 13 2.929 -8.531 3.143 1.00 0.00 O ATOM 206 CB ILE A 13 0.619 -8.547 0.771 1.00 0.00 C ATOM 207 CG1 ILE A 13 -0.927 -8.473 0.762 1.00 0.00 C ATOM 208 CG2 ILE A 13 1.138 -8.849 -0.650 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.642 -9.809 0.531 1.00 0.00 C ATOM 0 H ILE A 13 0.471 -8.526 3.463 1.00 0.00 H new ATOM 0 HA ILE A 13 1.136 -10.523 1.354 1.00 0.00 H new ATOM 0 HB ILE A 13 0.966 -7.566 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.261 -8.060 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.237 -7.774 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.702 -8.141 -1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.224 -8.757 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.855 -9.863 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.720 -9.651 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.345 -10.218 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.369 -10.509 1.321 1.00 0.00 H new ATOM 221 N THR A 14 3.590 -9.617 1.281 1.00 0.00 N ATOM 222 CA THR A 14 5.024 -9.399 1.346 1.00 0.00 C ATOM 223 C THR A 14 5.405 -8.996 -0.084 1.00 0.00 C ATOM 224 O THR A 14 5.015 -9.685 -1.028 1.00 0.00 O ATOM 225 CB THR A 14 5.725 -10.683 1.821 1.00 0.00 C ATOM 226 OG1 THR A 14 5.196 -11.122 3.062 1.00 0.00 O ATOM 227 CG2 THR A 14 7.226 -10.464 2.019 1.00 0.00 C ATOM 0 H THR A 14 3.331 -10.171 0.464 1.00 0.00 H new ATOM 0 HA THR A 14 5.326 -8.630 2.057 1.00 0.00 H new ATOM 0 HB THR A 14 5.555 -11.429 1.045 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.266 -10.400 3.721 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.688 -11.392 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.676 -10.155 1.076 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.385 -9.688 2.768 1.00 0.00 H new ATOM 235 N LEU A 15 6.065 -7.851 -0.277 1.00 0.00 N ATOM 236 CA LEU A 15 6.468 -7.361 -1.600 1.00 0.00 C ATOM 237 C LEU A 15 7.880 -6.812 -1.499 1.00 0.00 C ATOM 238 O LEU A 15 8.223 -6.270 -0.448 1.00 0.00 O ATOM 239 CB LEU A 15 5.553 -6.215 -2.073 1.00 0.00 C ATOM 240 CG LEU A 15 4.091 -6.586 -2.376 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.311 -5.306 -2.690 1.00 0.00 C ATOM 242 CD2 LEU A 15 3.950 -7.576 -3.532 1.00 0.00 C ATOM 0 H LEU A 15 6.338 -7.232 0.486 1.00 0.00 H new ATOM 0 HA LEU A 15 6.402 -8.187 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.557 -5.438 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.988 -5.780 -2.973 1.00 0.00 H new ATOM 0 HG LEU A 15 3.688 -7.082 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.273 -5.557 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.351 -4.636 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.754 -4.813 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.895 -7.797 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.374 -7.141 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.480 -8.497 -3.289 1.00 0.00 H new ATOM 254 N GLU A 16 8.666 -6.925 -2.564 1.00 0.00 N ATOM 255 CA GLU A 16 10.043 -6.467 -2.705 1.00 0.00 C ATOM 256 C GLU A 16 9.991 -5.207 -3.579 1.00 0.00 C ATOM 257 O GLU A 16 9.717 -5.272 -4.780 1.00 0.00 O ATOM 258 CB GLU A 16 10.867 -7.623 -3.292 1.00 0.00 C ATOM 259 CG GLU A 16 12.383 -7.392 -3.315 1.00 0.00 C ATOM 260 CD GLU A 16 13.095 -8.695 -3.696 1.00 0.00 C ATOM 261 OE1 GLU A 16 13.098 -9.071 -4.891 1.00 0.00 O ATOM 262 OE2 GLU A 16 13.576 -9.419 -2.788 1.00 0.00 O ATOM 0 H GLU A 16 8.331 -7.374 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 16 10.528 -6.198 -1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.661 -8.525 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.528 -7.810 -4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.631 -6.608 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.724 -7.052 -2.337 1.00 0.00 H new ATOM 269 N VAL A 17 10.201 -4.046 -2.963 1.00 0.00 N ATOM 270 CA VAL A 17 10.159 -2.727 -3.589 1.00 0.00 C ATOM 271 C VAL A 17 11.451 -1.971 -3.259 1.00 0.00 C ATOM 272 O VAL A 17 12.420 -2.567 -2.779 1.00 0.00 O ATOM 273 CB VAL A 17 8.826 -1.993 -3.275 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.607 -2.939 -3.297 1.00 0.00 C ATOM 275 CG2 VAL A 17 8.825 -1.161 -1.981 1.00 0.00 C ATOM 0 H VAL A 17 10.415 -3.997 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 17 10.141 -2.807 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 17 8.738 -1.279 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.703 -2.373 -3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.515 -3.391 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.741 -3.722 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.851 -0.689 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.028 -1.811 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.595 -0.392 -2.042 1.00 0.00 H new ATOM 285 N GLU A 18 11.495 -0.673 -3.543 1.00 0.00 N ATOM 286 CA GLU A 18 12.647 0.175 -3.297 1.00 0.00 C ATOM 287 C GLU A 18 12.180 1.552 -2.820 1.00 0.00 C ATOM 288 O GLU A 18 11.034 1.920 -3.084 1.00 0.00 O ATOM 289 CB GLU A 18 13.472 0.276 -4.593 1.00 0.00 C ATOM 290 CG GLU A 18 12.657 0.834 -5.770 1.00 0.00 C ATOM 291 CD GLU A 18 13.505 1.009 -7.015 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.364 0.176 -7.941 1.00 0.00 O ATOM 293 OE2 GLU A 18 14.304 1.965 -7.058 1.00 0.00 O ATOM 0 H GLU A 18 10.710 -0.174 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 18 13.276 -0.251 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.337 0.916 -4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.853 -0.711 -4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.827 0.161 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.224 1.794 -5.488 1.00 0.00 H new ATOM 300 N PRO A 19 13.038 2.348 -2.148 1.00 0.00 N ATOM 301 CA PRO A 19 12.703 3.690 -1.674 1.00 0.00 C ATOM 302 C PRO A 19 12.202 4.612 -2.791 1.00 0.00 C ATOM 303 O PRO A 19 11.549 5.617 -2.504 1.00 0.00 O ATOM 304 CB PRO A 19 13.971 4.254 -1.030 1.00 0.00 C ATOM 305 CG PRO A 19 14.681 2.987 -0.579 1.00 0.00 C ATOM 306 CD PRO A 19 14.408 2.050 -1.757 1.00 0.00 C ATOM 0 HA PRO A 19 11.880 3.631 -0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.569 4.828 -1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.745 4.916 -0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 19 15.747 3.148 -0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.276 2.600 0.356 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.103 2.230 -2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.520 1.005 -1.468 1.00 0.00 H new ATOM 314 N SER A 20 12.447 4.252 -4.053 1.00 0.00 N ATOM 315 CA SER A 20 12.063 5.032 -5.204 1.00 0.00 C ATOM 316 C SER A 20 11.008 4.329 -6.066 1.00 0.00 C ATOM 317 O SER A 20 10.936 4.606 -7.264 1.00 0.00 O ATOM 318 CB SER A 20 13.358 5.303 -5.990 1.00 0.00 C ATOM 319 OG SER A 20 14.300 5.999 -5.192 1.00 0.00 O ATOM 0 H SER A 20 12.930 3.387 -4.295 1.00 0.00 H new ATOM 0 HA SER A 20 11.589 5.963 -4.893 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.788 4.359 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.131 5.886 -6.882 1.00 0.00 H new ATOM 0 HG SER A 20 15.115 6.158 -5.712 1.00 0.00 H new ATOM 325 N ASP A 21 10.128 3.520 -5.458 1.00 0.00 N ATOM 326 CA ASP A 21 9.027 2.844 -6.157 1.00 0.00 C ATOM 327 C ASP A 21 7.773 3.695 -5.903 1.00 0.00 C ATOM 328 O ASP A 21 7.556 4.134 -4.762 1.00 0.00 O ATOM 329 CB ASP A 21 8.807 1.397 -5.681 1.00 0.00 C ATOM 330 CG ASP A 21 7.851 0.635 -6.613 1.00 0.00 C ATOM 331 OD1 ASP A 21 7.307 -0.413 -6.190 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.696 1.079 -7.772 1.00 0.00 O ATOM 0 H ASP A 21 10.161 3.315 -4.459 1.00 0.00 H new ATOM 0 HA ASP A 21 9.261 2.762 -7.218 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.764 0.878 -5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.402 1.404 -4.669 1.00 0.00 H new ATOM 337 N THR A 22 6.980 4.018 -6.929 1.00 0.00 N ATOM 338 CA THR A 22 5.785 4.840 -6.741 1.00 0.00 C ATOM 339 C THR A 22 4.682 4.050 -6.037 1.00 0.00 C ATOM 340 O THR A 22 4.633 2.821 -6.115 1.00 0.00 O ATOM 341 CB THR A 22 5.253 5.327 -8.112 1.00 0.00 C ATOM 342 OG1 THR A 22 5.487 4.389 -9.150 1.00 0.00 O ATOM 343 CG2 THR A 22 5.770 6.706 -8.516 1.00 0.00 C ATOM 0 H THR A 22 7.144 3.724 -7.892 1.00 0.00 H new ATOM 0 HA THR A 22 6.062 5.694 -6.123 1.00 0.00 H new ATOM 0 HB THR A 22 4.176 5.419 -7.970 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.133 4.740 -9.994 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.355 6.980 -9.486 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.466 7.441 -7.771 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.858 6.682 -8.580 1.00 0.00 H new ATOM 351 N ILE A 23 3.729 4.749 -5.396 1.00 0.00 N ATOM 352 CA ILE A 23 2.613 4.053 -4.738 1.00 0.00 C ATOM 353 C ILE A 23 1.808 3.332 -5.820 1.00 0.00 C ATOM 354 O ILE A 23 1.226 2.293 -5.545 1.00 0.00 O ATOM 355 CB ILE A 23 1.711 5.011 -3.925 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.413 5.581 -2.679 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.362 4.387 -3.499 1.00 0.00 C ATOM 358 CD1 ILE A 23 2.600 4.582 -1.536 1.00 0.00 C ATOM 0 H ILE A 23 3.708 5.766 -5.321 1.00 0.00 H new ATOM 0 HA ILE A 23 3.015 3.341 -4.017 1.00 0.00 H new ATOM 0 HB ILE A 23 1.503 5.824 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.391 5.963 -2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.837 6.430 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.215 5.119 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.198 4.091 -4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.547 3.511 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.102 5.073 -0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.626 4.217 -1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.205 3.743 -1.881 1.00 0.00 H new ATOM 370 N GLU A 24 1.788 3.868 -7.043 1.00 0.00 N ATOM 371 CA GLU A 24 1.081 3.313 -8.183 1.00 0.00 C ATOM 372 C GLU A 24 1.491 1.852 -8.384 1.00 0.00 C ATOM 373 O GLU A 24 0.633 0.979 -8.493 1.00 0.00 O ATOM 374 CB GLU A 24 1.385 4.205 -9.400 1.00 0.00 C ATOM 375 CG GLU A 24 0.228 4.281 -10.406 1.00 0.00 C ATOM 376 CD GLU A 24 0.326 5.548 -11.260 1.00 0.00 C ATOM 377 OE1 GLU A 24 -0.714 6.174 -11.559 1.00 0.00 O ATOM 378 OE2 GLU A 24 1.453 5.954 -11.621 1.00 0.00 O ATOM 0 H GLU A 24 2.284 4.731 -7.267 1.00 0.00 H new ATOM 0 HA GLU A 24 0.002 3.305 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.622 5.211 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.272 3.825 -9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.243 3.402 -11.050 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.723 4.270 -9.874 1.00 0.00 H new ATOM 385 N ASN A 25 2.800 1.586 -8.388 1.00 0.00 N ATOM 386 CA ASN A 25 3.355 0.251 -8.549 1.00 0.00 C ATOM 387 C ASN A 25 3.018 -0.592 -7.326 1.00 0.00 C ATOM 388 O ASN A 25 2.446 -1.667 -7.467 1.00 0.00 O ATOM 389 CB ASN A 25 4.882 0.306 -8.692 1.00 0.00 C ATOM 390 CG ASN A 25 5.374 0.510 -10.116 1.00 0.00 C ATOM 391 OD1 ASN A 25 4.779 0.013 -11.073 1.00 0.00 O ATOM 392 ND2 ASN A 25 6.515 1.146 -10.276 1.00 0.00 N ATOM 0 H ASN A 25 3.511 2.309 -8.277 1.00 0.00 H new ATOM 0 HA ASN A 25 2.925 -0.188 -9.449 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.264 1.115 -8.070 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.304 -0.621 -8.304 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.923 1.235 -11.207 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.991 1.550 -9.470 1.00 0.00 H new ATOM 399 N VAL A 26 3.328 -0.112 -6.120 1.00 0.00 N ATOM 400 CA VAL A 26 3.075 -0.831 -4.868 1.00 0.00 C ATOM 401 C VAL A 26 1.601 -1.251 -4.751 1.00 0.00 C ATOM 402 O VAL A 26 1.304 -2.389 -4.375 1.00 0.00 O ATOM 403 CB VAL A 26 3.531 0.042 -3.676 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.308 -0.648 -2.319 1.00 0.00 C ATOM 405 CG2 VAL A 26 5.021 0.408 -3.764 1.00 0.00 C ATOM 0 H VAL A 26 3.767 0.798 -5.983 1.00 0.00 H new ATOM 0 HA VAL A 26 3.655 -1.754 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 26 2.917 0.940 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.645 0.009 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.247 -0.863 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.873 -1.579 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.296 1.021 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.620 -0.503 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.205 0.965 -4.682 1.00 0.00 H new ATOM 415 N LYS A 27 0.665 -0.367 -5.104 1.00 0.00 N ATOM 416 CA LYS A 27 -0.766 -0.635 -5.034 1.00 0.00 C ATOM 417 C LYS A 27 -1.212 -1.552 -6.178 1.00 0.00 C ATOM 418 O LYS A 27 -2.303 -2.108 -6.090 1.00 0.00 O ATOM 419 CB LYS A 27 -1.544 0.691 -5.005 1.00 0.00 C ATOM 420 CG LYS A 27 -2.834 0.584 -4.172 1.00 0.00 C ATOM 421 CD LYS A 27 -3.724 1.827 -4.286 1.00 0.00 C ATOM 422 CE LYS A 27 -4.298 1.952 -5.701 1.00 0.00 C ATOM 423 NZ LYS A 27 -5.124 3.159 -5.871 1.00 0.00 N ATOM 0 H LYS A 27 0.887 0.566 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.986 -1.169 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.909 1.475 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.794 0.987 -6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.398 -0.291 -4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.573 0.426 -3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.537 1.766 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.146 2.718 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.480 1.972 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.899 1.070 -5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.488 3.196 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.921 3.131 -5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.547 4.004 -5.685 1.00 0.00 H new ATOM 437 N ALA A 28 -0.417 -1.731 -7.234 1.00 0.00 N ATOM 438 CA ALA A 28 -0.746 -2.618 -8.343 1.00 0.00 C ATOM 439 C ALA A 28 -0.237 -4.018 -8.003 1.00 0.00 C ATOM 440 O ALA A 28 -0.967 -4.991 -8.155 1.00 0.00 O ATOM 441 CB ALA A 28 -0.137 -2.110 -9.645 1.00 0.00 C ATOM 0 H ALA A 28 0.481 -1.259 -7.341 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.826 -2.647 -8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.397 -2.789 -10.457 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.526 -1.116 -9.865 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.947 -2.062 -9.545 1.00 0.00 H new ATOM 447 N LYS A 29 0.988 -4.129 -7.466 1.00 0.00 N ATOM 448 CA LYS A 29 1.620 -5.390 -7.067 1.00 0.00 C ATOM 449 C LYS A 29 0.664 -6.215 -6.183 1.00 0.00 C ATOM 450 O LYS A 29 0.602 -7.440 -6.311 1.00 0.00 O ATOM 451 CB LYS A 29 2.976 -5.120 -6.383 1.00 0.00 C ATOM 452 CG LYS A 29 4.105 -4.585 -7.300 1.00 0.00 C ATOM 453 CD LYS A 29 5.381 -4.270 -6.487 1.00 0.00 C ATOM 454 CE LYS A 29 6.444 -3.396 -7.185 1.00 0.00 C ATOM 455 NZ LYS A 29 6.952 -3.957 -8.457 1.00 0.00 N ATOM 0 H LYS A 29 1.581 -3.318 -7.294 1.00 0.00 H new ATOM 0 HA LYS A 29 1.826 -5.987 -7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.818 -4.402 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.318 -6.046 -5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.333 -5.323 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.765 -3.685 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.083 -3.773 -5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.847 -5.214 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.018 -2.412 -7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.283 -3.251 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.660 -3.312 -8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.389 -4.883 -8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.164 -4.070 -9.126 1.00 0.00 H new ATOM 469 N ILE A 30 -0.073 -5.575 -5.271 1.00 0.00 N ATOM 470 CA ILE A 30 -1.027 -6.259 -4.392 1.00 0.00 C ATOM 471 C ILE A 30 -2.219 -6.865 -5.167 1.00 0.00 C ATOM 472 O ILE A 30 -2.793 -7.851 -4.692 1.00 0.00 O ATOM 473 CB ILE A 30 -1.525 -5.340 -3.253 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.148 -4.045 -3.804 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.390 -5.020 -2.265 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.925 -3.213 -2.784 1.00 0.00 C ATOM 0 H ILE A 30 -0.025 -4.567 -5.121 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.479 -7.087 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.304 -5.881 -2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.353 -3.428 -4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.817 -4.303 -4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.768 -4.372 -1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.016 -5.946 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.419 -4.515 -2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.324 -2.322 -3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.746 -3.806 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.259 -2.917 -1.973 1.00 0.00 H new ATOM 488 N GLN A 31 -2.584 -6.347 -6.345 1.00 0.00 N ATOM 489 CA GLN A 31 -3.708 -6.871 -7.126 1.00 0.00 C ATOM 490 C GLN A 31 -3.280 -8.174 -7.808 1.00 0.00 C ATOM 491 O GLN A 31 -4.112 -9.028 -8.116 1.00 0.00 O ATOM 492 CB GLN A 31 -4.092 -5.899 -8.260 1.00 0.00 C ATOM 493 CG GLN A 31 -4.323 -4.424 -7.891 1.00 0.00 C ATOM 494 CD GLN A 31 -4.449 -3.532 -9.130 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.552 -3.996 -10.261 1.00 0.00 O ATOM 496 NE2 GLN A 31 -4.431 -2.224 -8.952 1.00 0.00 N ATOM 0 H GLN A 31 -2.110 -5.556 -6.782 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.547 -7.015 -6.445 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.306 -5.937 -9.014 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.002 -6.274 -8.729 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.228 -4.339 -7.290 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.497 -4.072 -7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.345 -1.838 -8.012 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.503 -1.599 -9.755 1.00 0.00 H new ATOM 505 N ASP A 32 -1.980 -8.367 -8.023 1.00 0.00 N ATOM 506 CA ASP A 32 -1.427 -9.566 -8.643 1.00 0.00 C ATOM 507 C ASP A 32 -1.447 -10.704 -7.614 1.00 0.00 C ATOM 508 O ASP A 32 -1.851 -11.825 -7.938 1.00 0.00 O ATOM 509 CB ASP A 32 -0.017 -9.250 -9.172 1.00 0.00 C ATOM 510 CG ASP A 32 0.947 -10.436 -9.141 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.626 -11.509 -9.689 1.00 0.00 O ATOM 512 OD2 ASP A 32 2.038 -10.272 -8.544 1.00 0.00 O ATOM 0 H ASP A 32 -1.270 -7.681 -7.766 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.022 -9.890 -9.497 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.099 -8.890 -10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.406 -8.437 -8.582 1.00 0.00 H new ATOM 517 N LYS A 33 -1.144 -10.414 -6.340 1.00 0.00 N ATOM 518 CA LYS A 33 -1.123 -11.441 -5.295 1.00 0.00 C ATOM 519 C LYS A 33 -2.447 -11.677 -4.558 1.00 0.00 C ATOM 520 O LYS A 33 -2.575 -12.741 -3.950 1.00 0.00 O ATOM 521 CB LYS A 33 0.034 -11.164 -4.320 1.00 0.00 C ATOM 522 CG LYS A 33 1.362 -11.681 -4.897 1.00 0.00 C ATOM 523 CD LYS A 33 2.502 -11.508 -3.886 1.00 0.00 C ATOM 524 CE LYS A 33 3.796 -12.206 -4.328 1.00 0.00 C ATOM 525 NZ LYS A 33 3.687 -13.680 -4.272 1.00 0.00 N ATOM 0 H LYS A 33 -0.911 -9.477 -6.012 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.960 -12.385 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.107 -10.094 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.166 -11.647 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.263 -12.733 -5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.599 -11.142 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.698 -10.445 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.190 -11.907 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.042 -11.901 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.618 -11.880 -3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.617 -14.104 -4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.363 -13.968 -3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.004 -14.005 -4.986 1.00 0.00 H new ATOM 539 N GLU A 34 -3.422 -10.767 -4.555 1.00 0.00 N ATOM 540 CA GLU A 34 -4.706 -10.954 -3.859 1.00 0.00 C ATOM 541 C GLU A 34 -5.839 -10.479 -4.773 1.00 0.00 C ATOM 542 O GLU A 34 -5.608 -9.667 -5.674 1.00 0.00 O ATOM 543 CB GLU A 34 -4.680 -10.171 -2.527 1.00 0.00 C ATOM 544 CG GLU A 34 -5.791 -10.505 -1.505 1.00 0.00 C ATOM 545 CD GLU A 34 -5.520 -11.799 -0.728 1.00 0.00 C ATOM 546 OE1 GLU A 34 -4.369 -11.988 -0.279 1.00 0.00 O ATOM 547 OE2 GLU A 34 -6.415 -12.667 -0.596 1.00 0.00 O ATOM 0 H GLU A 34 -3.347 -9.871 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.872 -12.006 -3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.715 -10.343 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.737 -9.107 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.890 -9.679 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.743 -10.594 -2.028 1.00 0.00 H new ATOM 554 N GLY A 35 -7.069 -10.943 -4.533 1.00 0.00 N ATOM 555 CA GLY A 35 -8.231 -10.570 -5.325 1.00 0.00 C ATOM 556 C GLY A 35 -8.769 -9.219 -4.879 1.00 0.00 C ATOM 557 O GLY A 35 -9.911 -9.133 -4.428 1.00 0.00 O ATOM 0 H GLY A 35 -7.281 -11.593 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.961 -10.530 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.007 -11.329 -5.223 1.00 0.00 H new ATOM 561 N ILE A 36 -7.981 -8.153 -5.028 1.00 0.00 N ATOM 562 CA ILE A 36 -8.376 -6.805 -4.640 1.00 0.00 C ATOM 563 C ILE A 36 -8.071 -5.847 -5.804 1.00 0.00 C ATOM 564 O ILE A 36 -6.902 -5.535 -6.037 1.00 0.00 O ATOM 565 CB ILE A 36 -7.726 -6.412 -3.284 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.177 -6.488 -3.257 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.331 -7.289 -2.167 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.562 -6.206 -1.883 1.00 0.00 C ATOM 0 H ILE A 36 -7.043 -8.205 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.449 -6.745 -4.458 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.954 -5.358 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.867 -7.480 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.776 -5.774 -3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.882 -7.021 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.408 -7.127 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.131 -8.339 -2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.476 -6.279 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.840 -5.203 -1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.932 -6.935 -1.162 1.00 0.00 H new ATOM 580 N PRO A 37 -9.084 -5.349 -6.532 1.00 0.00 N ATOM 581 CA PRO A 37 -8.908 -4.419 -7.646 1.00 0.00 C ATOM 582 C PRO A 37 -8.632 -3.005 -7.106 1.00 0.00 C ATOM 583 O PRO A 37 -8.762 -2.787 -5.894 1.00 0.00 O ATOM 584 CB PRO A 37 -10.251 -4.472 -8.393 1.00 0.00 C ATOM 585 CG PRO A 37 -11.263 -4.731 -7.286 1.00 0.00 C ATOM 586 CD PRO A 37 -10.496 -5.657 -6.352 1.00 0.00 C ATOM 0 HA PRO A 37 -8.069 -4.675 -8.293 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.457 -3.538 -8.915 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.263 -5.264 -9.141 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.564 -3.810 -6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.171 -5.199 -7.667 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.798 -5.501 -5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.698 -6.702 -6.589 1.00 0.00 H new ATOM 594 N PRO A 38 -8.238 -2.026 -7.945 1.00 0.00 N ATOM 595 CA PRO A 38 -8.006 -0.646 -7.511 1.00 0.00 C ATOM 596 C PRO A 38 -9.378 0.037 -7.322 1.00 0.00 C ATOM 597 O PRO A 38 -9.707 1.037 -7.956 1.00 0.00 O ATOM 598 CB PRO A 38 -7.154 -0.016 -8.618 1.00 0.00 C ATOM 599 CG PRO A 38 -7.630 -0.739 -9.877 1.00 0.00 C ATOM 600 CD PRO A 38 -8.015 -2.138 -9.383 1.00 0.00 C ATOM 0 HA PRO A 38 -7.484 -0.552 -6.559 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.314 1.060 -8.686 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.089 -0.169 -8.444 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.479 -0.229 -10.332 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.844 -0.785 -10.631 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.913 -2.493 -9.888 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.223 -2.856 -9.598 1.00 0.00 H new ATOM 608 N ASP A 39 -10.204 -0.530 -6.446 1.00 0.00 N ATOM 609 CA ASP A 39 -11.547 -0.130 -6.068 1.00 0.00 C ATOM 610 C ASP A 39 -11.679 -0.503 -4.600 1.00 0.00 C ATOM 611 O ASP A 39 -11.258 -1.598 -4.219 1.00 0.00 O ATOM 612 CB ASP A 39 -12.577 -0.867 -6.922 1.00 0.00 C ATOM 613 CG ASP A 39 -13.980 -0.293 -6.767 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.196 0.632 -5.951 1.00 0.00 O ATOM 615 OD2 ASP A 39 -14.885 -0.749 -7.501 1.00 0.00 O ATOM 0 H ASP A 39 -9.915 -1.364 -5.935 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.721 0.935 -6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.280 -0.815 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.586 -1.921 -6.645 1.00 0.00 H new ATOM 620 N GLN A 40 -12.236 0.392 -3.785 1.00 0.00 N ATOM 621 CA GLN A 40 -12.415 0.252 -2.340 1.00 0.00 C ATOM 622 C GLN A 40 -11.060 -0.119 -1.718 1.00 0.00 C ATOM 623 O GLN A 40 -10.950 -1.030 -0.895 1.00 0.00 O ATOM 624 CB GLN A 40 -13.503 -0.796 -2.010 1.00 0.00 C ATOM 625 CG GLN A 40 -14.846 -0.646 -2.736 1.00 0.00 C ATOM 626 CD GLN A 40 -15.421 0.761 -2.621 1.00 0.00 C ATOM 627 OE1 GLN A 40 -15.639 1.291 -1.536 1.00 0.00 O ATOM 628 NE2 GLN A 40 -15.674 1.420 -3.739 1.00 0.00 N ATOM 0 H GLN A 40 -12.594 1.282 -4.133 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.759 1.195 -1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.103 -1.785 -2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.691 -0.765 -0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.715 -0.896 -3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.559 -1.361 -2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.493 0.981 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.050 2.367 -3.699 1.00 0.00 H new ATOM 637 N ASN A 41 -10.008 0.616 -2.091 1.00 0.00 N ATOM 638 CA ASN A 41 -8.650 0.411 -1.616 1.00 0.00 C ATOM 639 C ASN A 41 -7.872 1.712 -1.718 1.00 0.00 C ATOM 640 O ASN A 41 -7.881 2.365 -2.758 1.00 0.00 O ATOM 641 CB ASN A 41 -7.933 -0.679 -2.441 1.00 0.00 C ATOM 642 CG ASN A 41 -8.284 -2.087 -1.970 1.00 0.00 C ATOM 643 OD1 ASN A 41 -7.836 -2.516 -0.906 1.00 0.00 O ATOM 644 ND2 ASN A 41 -9.098 -2.809 -2.723 1.00 0.00 N ATOM 0 H ASN A 41 -10.087 1.390 -2.751 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.697 0.085 -0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.202 -0.572 -3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.855 -0.533 -2.372 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.370 -3.746 -2.427 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.454 -2.428 -3.600 1.00 0.00 H new ATOM 651 N ARG A 42 -7.132 2.042 -0.667 1.00 0.00 N ATOM 652 CA ARG A 42 -6.270 3.211 -0.521 1.00 0.00 C ATOM 653 C ARG A 42 -5.210 2.703 0.438 1.00 0.00 C ATOM 654 O ARG A 42 -5.553 2.054 1.434 1.00 0.00 O ATOM 655 CB ARG A 42 -7.075 4.407 0.008 1.00 0.00 C ATOM 656 CG ARG A 42 -6.304 5.732 0.144 1.00 0.00 C ATOM 657 CD ARG A 42 -7.255 6.874 0.553 1.00 0.00 C ATOM 658 NE ARG A 42 -8.155 7.293 -0.546 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.927 8.256 -1.454 1.00 0.00 C ATOM 660 NH1 ARG A 42 -6.917 9.109 -1.293 1.00 0.00 N ATOM 661 NH2 ARG A 42 -8.723 8.373 -2.510 1.00 0.00 N ATOM 0 H ARG A 42 -7.117 1.457 0.168 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.831 3.587 -1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.924 4.570 -0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.480 4.143 0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.515 5.625 0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.820 5.976 -0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.854 6.554 1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.666 7.731 0.881 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.043 6.797 -0.621 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.311 9.033 -0.476 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.750 9.838 -1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.507 7.732 -2.631 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.551 9.104 -3.200 1.00 0.00 H new ATOM 675 N LEU A 43 -3.940 2.956 0.136 1.00 0.00 N ATOM 676 CA LEU A 43 -2.833 2.473 0.953 1.00 0.00 C ATOM 677 C LEU A 43 -2.545 3.494 2.050 1.00 0.00 C ATOM 678 O LEU A 43 -2.603 4.695 1.796 1.00 0.00 O ATOM 679 CB LEU A 43 -1.633 2.222 0.020 1.00 0.00 C ATOM 680 CG LEU A 43 -0.548 1.291 0.591 1.00 0.00 C ATOM 681 CD1 LEU A 43 -1.022 -0.157 0.760 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.644 1.282 -0.375 1.00 0.00 C ATOM 0 H LEU A 43 -3.651 3.499 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.067 1.534 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.001 1.797 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.176 3.181 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.285 1.674 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.210 -0.761 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.871 -0.184 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.322 -0.557 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.423 0.627 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.319 0.920 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.038 2.293 -0.476 1.00 0.00 H new ATOM 694 N ILE A 44 -2.212 3.034 3.257 1.00 0.00 N ATOM 695 CA ILE A 44 -1.937 3.867 4.425 1.00 0.00 C ATOM 696 C ILE A 44 -0.664 3.370 5.123 1.00 0.00 C ATOM 697 O ILE A 44 -0.437 2.161 5.183 1.00 0.00 O ATOM 698 CB ILE A 44 -3.133 3.759 5.418 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.558 3.786 4.811 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.031 4.812 6.537 1.00 0.00 C ATOM 701 CD1 ILE A 44 -5.002 5.122 4.208 1.00 0.00 C ATOM 0 H ILE A 44 -2.124 2.037 3.453 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.801 4.902 4.111 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.020 2.750 5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.616 3.022 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.269 3.506 5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.881 4.709 7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.105 4.663 7.093 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.035 5.810 6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.013 5.025 3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.986 5.892 4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.323 5.401 3.402 1.00 0.00 H new ATOM 713 N PHE A 45 0.147 4.267 5.692 1.00 0.00 N ATOM 714 CA PHE A 45 1.367 3.926 6.428 1.00 0.00 C ATOM 715 C PHE A 45 1.370 4.771 7.694 1.00 0.00 C ATOM 716 O PHE A 45 1.442 5.999 7.597 1.00 0.00 O ATOM 717 CB PHE A 45 2.649 4.171 5.619 1.00 0.00 C ATOM 718 CG PHE A 45 3.918 3.940 6.422 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.158 2.689 7.027 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.855 4.980 6.584 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.321 2.488 7.790 1.00 0.00 C ATOM 722 CE2 PHE A 45 6.031 4.767 7.322 1.00 0.00 C ATOM 723 CZ PHE A 45 6.264 3.520 7.922 1.00 0.00 C ATOM 0 H PHE A 45 -0.030 5.271 5.653 1.00 0.00 H new ATOM 0 HA PHE A 45 1.362 2.859 6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.653 3.514 4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.645 5.195 5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.448 1.885 6.904 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.668 5.946 6.138 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.490 1.538 8.276 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.755 5.562 7.428 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.170 3.354 8.486 1.00 0.00 H new ATOM 733 N ALA A 46 1.292 4.129 8.865 1.00 0.00 N ATOM 734 CA ALA A 46 1.264 4.790 10.169 1.00 0.00 C ATOM 735 C ALA A 46 0.204 5.899 10.192 1.00 0.00 C ATOM 736 O ALA A 46 0.468 7.031 10.596 1.00 0.00 O ATOM 737 CB ALA A 46 2.673 5.270 10.539 1.00 0.00 C ATOM 0 H ALA A 46 1.246 3.112 8.931 1.00 0.00 H new ATOM 0 HA ALA A 46 0.964 4.081 10.941 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.646 5.762 11.511 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.349 4.416 10.583 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.027 5.974 9.786 1.00 0.00 H new ATOM 743 N GLY A 47 -0.973 5.613 9.631 1.00 0.00 N ATOM 744 CA GLY A 47 -2.092 6.540 9.565 1.00 0.00 C ATOM 745 C GLY A 47 -2.004 7.562 8.429 1.00 0.00 C ATOM 746 O GLY A 47 -2.996 8.239 8.171 1.00 0.00 O ATOM 0 H GLY A 47 -1.173 4.709 9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.014 5.969 9.453 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.161 7.074 10.513 1.00 0.00 H new ATOM 750 N LYS A 48 -0.857 7.750 7.768 1.00 0.00 N ATOM 751 CA LYS A 48 -0.743 8.712 6.671 1.00 0.00 C ATOM 752 C LYS A 48 -1.328 8.062 5.429 1.00 0.00 C ATOM 753 O LYS A 48 -0.929 6.946 5.094 1.00 0.00 O ATOM 754 CB LYS A 48 0.720 9.110 6.440 1.00 0.00 C ATOM 755 CG LYS A 48 0.890 10.083 5.255 1.00 0.00 C ATOM 756 CD LYS A 48 1.911 11.193 5.528 1.00 0.00 C ATOM 757 CE LYS A 48 1.336 12.208 6.524 1.00 0.00 C ATOM 758 NZ LYS A 48 2.315 13.255 6.866 1.00 0.00 N ATOM 0 H LYS A 48 0.006 7.247 7.975 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.286 9.626 6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.114 9.573 7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.312 8.213 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.200 9.522 4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.075 10.534 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.830 10.762 5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.172 11.695 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.444 12.669 6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.025 11.691 7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.889 13.921 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.155 12.818 7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.592 13.766 6.004 1.00 0.00 H new ATOM 772 N GLN A 49 -2.283 8.726 4.787 1.00 0.00 N ATOM 773 CA GLN A 49 -2.917 8.226 3.578 1.00 0.00 C ATOM 774 C GLN A 49 -1.908 8.413 2.454 1.00 0.00 C ATOM 775 O GLN A 49 -1.280 9.473 2.368 1.00 0.00 O ATOM 776 CB GLN A 49 -4.217 8.974 3.246 1.00 0.00 C ATOM 777 CG GLN A 49 -5.240 9.028 4.391 1.00 0.00 C ATOM 778 CD GLN A 49 -4.903 10.037 5.488 1.00 0.00 C ATOM 779 OE1 GLN A 49 -4.187 11.013 5.266 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.354 9.814 6.703 1.00 0.00 N ATOM 0 H GLN A 49 -2.639 9.631 5.094 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.194 7.180 3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.968 9.994 2.952 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.683 8.498 2.383 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.218 9.272 3.977 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.321 8.037 4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.947 9.005 6.886 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.110 10.450 7.462 1.00 0.00 H new ATOM 789 N LEU A 50 -1.768 7.397 1.609 1.00 0.00 N ATOM 790 CA LEU A 50 -0.841 7.374 0.496 1.00 0.00 C ATOM 791 C LEU A 50 -1.600 7.142 -0.800 1.00 0.00 C ATOM 792 O LEU A 50 -2.659 6.508 -0.836 1.00 0.00 O ATOM 793 CB LEU A 50 0.173 6.220 0.651 1.00 0.00 C ATOM 794 CG LEU A 50 0.606 5.824 2.074 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.348 4.490 2.013 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.484 6.883 2.735 1.00 0.00 C ATOM 0 H LEU A 50 -2.317 6.541 1.687 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.319 8.331 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.251 5.337 0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.070 6.486 0.091 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.292 5.734 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.659 4.201 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.688 3.725 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.227 4.591 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.761 6.553 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.385 7.032 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.934 7.822 2.801 1.00 0.00 H new ATOM 808 N GLU A 51 -1.023 7.626 -1.888 1.00 0.00 N ATOM 809 CA GLU A 51 -1.552 7.494 -3.229 1.00 0.00 C ATOM 810 C GLU A 51 -0.419 7.718 -4.228 1.00 0.00 C ATOM 811 O GLU A 51 0.696 8.104 -3.849 1.00 0.00 O ATOM 812 CB GLU A 51 -2.788 8.381 -3.441 1.00 0.00 C ATOM 813 CG GLU A 51 -2.754 9.783 -2.822 1.00 0.00 C ATOM 814 CD GLU A 51 -4.076 10.534 -3.018 1.00 0.00 C ATOM 815 OE1 GLU A 51 -4.065 11.778 -2.891 1.00 0.00 O ATOM 816 OE2 GLU A 51 -5.127 9.897 -3.269 1.00 0.00 O ATOM 0 H GLU A 51 -0.142 8.139 -1.857 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.927 6.484 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.948 8.488 -4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.655 7.855 -3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.538 9.703 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.942 10.357 -3.270 1.00 0.00 H new ATOM 823 N ASP A 52 -0.727 7.542 -5.507 1.00 0.00 N ATOM 824 CA ASP A 52 0.215 7.648 -6.609 1.00 0.00 C ATOM 825 C ASP A 52 0.628 9.091 -6.865 1.00 0.00 C ATOM 826 O ASP A 52 -0.016 10.053 -6.446 1.00 0.00 O ATOM 827 CB ASP A 52 -0.346 6.949 -7.860 1.00 0.00 C ATOM 828 CG ASP A 52 -1.809 7.261 -8.161 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.685 6.498 -7.671 1.00 0.00 O ATOM 830 OD2 ASP A 52 -2.104 8.267 -8.836 1.00 0.00 O ATOM 0 H ASP A 52 -1.673 7.314 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 52 1.132 7.128 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.257 7.236 -8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.236 5.871 -7.738 1.00 0.00 H new ATOM 835 N GLY A 53 1.788 9.193 -7.514 1.00 0.00 N ATOM 836 CA GLY A 53 2.498 10.409 -7.867 1.00 0.00 C ATOM 837 C GLY A 53 3.748 10.520 -6.983 1.00 0.00 C ATOM 838 O GLY A 53 4.745 11.104 -7.410 1.00 0.00 O ATOM 0 H GLY A 53 2.288 8.361 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.780 10.391 -8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.855 11.278 -7.724 1.00 0.00 H new ATOM 842 N ARG A 54 3.703 9.972 -5.756 1.00 0.00 N ATOM 843 CA ARG A 54 4.804 9.942 -4.782 1.00 0.00 C ATOM 844 C ARG A 54 5.395 8.540 -4.638 1.00 0.00 C ATOM 845 O ARG A 54 4.769 7.554 -5.044 1.00 0.00 O ATOM 846 CB ARG A 54 4.427 10.660 -3.471 1.00 0.00 C ATOM 847 CG ARG A 54 4.583 12.175 -3.658 1.00 0.00 C ATOM 848 CD ARG A 54 4.370 13.004 -2.386 1.00 0.00 C ATOM 849 NE ARG A 54 3.848 14.317 -2.765 1.00 0.00 N ATOM 850 CZ ARG A 54 3.612 15.393 -2.019 1.00 0.00 C ATOM 851 NH1 ARG A 54 3.749 15.349 -0.696 1.00 0.00 N ATOM 852 NH2 ARG A 54 3.270 16.525 -2.620 1.00 0.00 N ATOM 0 H ARG A 54 2.861 9.519 -5.402 1.00 0.00 H new ATOM 0 HA ARG A 54 5.635 10.532 -5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.400 10.420 -3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.065 10.315 -2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.582 12.378 -4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.874 12.509 -4.415 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.673 12.499 -1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.309 13.113 -1.844 1.00 0.00 H new ATOM 0 HE ARG A 54 3.631 14.424 -3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.038 14.483 -0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.565 16.182 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.192 16.559 -3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.085 17.361 -2.066 1.00 0.00 H new ATOM 866 N THR A 55 6.571 8.456 -4.019 1.00 0.00 N ATOM 867 CA THR A 55 7.343 7.239 -3.793 1.00 0.00 C ATOM 868 C THR A 55 7.531 6.927 -2.304 1.00 0.00 C ATOM 869 O THR A 55 7.165 7.730 -1.442 1.00 0.00 O ATOM 870 CB THR A 55 8.693 7.380 -4.524 1.00 0.00 C ATOM 871 OG1 THR A 55 9.501 8.420 -3.996 1.00 0.00 O ATOM 872 CG2 THR A 55 8.532 7.622 -6.027 1.00 0.00 C ATOM 0 H THR A 55 7.035 9.282 -3.641 1.00 0.00 H new ATOM 0 HA THR A 55 6.791 6.390 -4.196 1.00 0.00 H new ATOM 0 HB THR A 55 9.186 6.422 -4.362 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.056 9.282 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.515 7.713 -6.488 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.997 6.785 -6.475 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.969 8.541 -6.189 1.00 0.00 H new ATOM 880 N LEU A 56 8.118 5.765 -1.994 1.00 0.00 N ATOM 881 CA LEU A 56 8.370 5.324 -0.622 1.00 0.00 C ATOM 882 C LEU A 56 9.109 6.388 0.181 1.00 0.00 C ATOM 883 O LEU A 56 8.680 6.718 1.286 1.00 0.00 O ATOM 884 CB LEU A 56 9.167 4.008 -0.560 1.00 0.00 C ATOM 885 CG LEU A 56 8.297 2.749 -0.409 1.00 0.00 C ATOM 886 CD1 LEU A 56 7.857 2.221 -1.771 1.00 0.00 C ATOM 887 CD2 LEU A 56 9.060 1.636 0.305 1.00 0.00 C ATOM 0 H LEU A 56 8.434 5.099 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 56 7.387 5.152 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.765 3.916 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.863 4.057 0.277 1.00 0.00 H new ATOM 0 HG LEU A 56 7.425 3.037 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.243 1.331 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.277 2.986 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.736 1.969 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.421 0.758 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.949 1.378 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.356 1.976 1.297 1.00 0.00 H new ATOM 899 N SER A 57 10.207 6.932 -0.349 1.00 0.00 N ATOM 900 CA SER A 57 10.998 7.941 0.343 1.00 0.00 C ATOM 901 C SER A 57 10.202 9.227 0.607 1.00 0.00 C ATOM 902 O SER A 57 10.455 9.895 1.606 1.00 0.00 O ATOM 903 CB SER A 57 12.322 8.215 -0.383 1.00 0.00 C ATOM 904 OG SER A 57 13.312 8.519 0.583 1.00 0.00 O ATOM 0 H SER A 57 10.569 6.683 -1.269 1.00 0.00 H new ATOM 0 HA SER A 57 11.249 7.533 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.619 7.345 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.206 9.045 -1.080 1.00 0.00 H new ATOM 0 HG SER A 57 14.165 8.695 0.133 1.00 0.00 H new ATOM 910 N ASP A 58 9.250 9.600 -0.257 1.00 0.00 N ATOM 911 CA ASP A 58 8.442 10.813 -0.071 1.00 0.00 C ATOM 912 C ASP A 58 7.585 10.659 1.167 1.00 0.00 C ATOM 913 O ASP A 58 7.602 11.516 2.052 1.00 0.00 O ATOM 914 CB ASP A 58 7.562 11.104 -1.285 1.00 0.00 C ATOM 915 CG ASP A 58 8.406 11.400 -2.509 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.244 10.690 -3.524 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.274 12.302 -2.399 1.00 0.00 O ATOM 0 H ASP A 58 9.019 9.074 -1.100 1.00 0.00 H new ATOM 0 HA ASP A 58 9.121 11.657 0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.915 10.249 -1.483 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.912 11.953 -1.073 1.00 0.00 H new ATOM 922 N TYR A 59 6.924 9.514 1.293 1.00 0.00 N ATOM 923 CA TYR A 59 6.078 9.237 2.443 1.00 0.00 C ATOM 924 C TYR A 59 6.946 8.764 3.623 1.00 0.00 C ATOM 925 O TYR A 59 6.443 8.616 4.743 1.00 0.00 O ATOM 926 CB TYR A 59 5.046 8.183 2.044 1.00 0.00 C ATOM 927 CG TYR A 59 4.026 8.664 1.028 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.039 9.591 1.412 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.036 8.172 -0.291 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.043 9.986 0.504 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.060 8.591 -1.213 1.00 0.00 C ATOM 932 CZ TYR A 59 2.041 9.483 -0.813 1.00 0.00 C ATOM 933 OH TYR A 59 1.048 9.844 -1.677 1.00 0.00 O ATOM 0 H TYR A 59 6.960 8.760 0.607 1.00 0.00 H new ATOM 0 HA TYR A 59 5.553 10.138 2.762 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.567 7.317 1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.521 7.848 2.939 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.048 10.001 2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.797 7.469 -0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.275 10.678 0.816 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.090 8.229 -2.230 1.00 0.00 H new ATOM 0 HH TYR A 59 1.131 9.327 -2.505 1.00 0.00 H new ATOM 943 N ASN A 60 8.258 8.639 3.397 1.00 0.00 N ATOM 944 CA ASN A 60 9.334 8.229 4.289 1.00 0.00 C ATOM 945 C ASN A 60 9.097 6.838 4.880 1.00 0.00 C ATOM 946 O ASN A 60 9.305 6.586 6.068 1.00 0.00 O ATOM 947 CB ASN A 60 9.587 9.344 5.309 1.00 0.00 C ATOM 948 CG ASN A 60 10.822 9.092 6.154 1.00 0.00 C ATOM 949 OD1 ASN A 60 11.887 8.763 5.643 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.727 9.296 7.455 1.00 0.00 N ATOM 0 H ASN A 60 8.629 8.850 2.471 1.00 0.00 H new ATOM 0 HA ASN A 60 10.261 8.102 3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.698 10.293 4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.718 9.439 5.961 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.547 9.180 8.051 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.834 9.569 7.864 1.00 0.00 H new ATOM 957 N ILE A 61 8.727 5.903 4.009 1.00 0.00 N ATOM 958 CA ILE A 61 8.438 4.510 4.310 1.00 0.00 C ATOM 959 C ILE A 61 9.788 3.794 4.270 1.00 0.00 C ATOM 960 O ILE A 61 10.519 3.896 3.281 1.00 0.00 O ATOM 961 CB ILE A 61 7.448 3.959 3.254 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.102 4.719 3.307 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.188 2.455 3.454 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.205 4.518 2.082 1.00 0.00 C ATOM 0 H ILE A 61 8.615 6.113 3.017 1.00 0.00 H new ATOM 0 HA ILE A 61 7.967 4.368 5.283 1.00 0.00 H new ATOM 0 HB ILE A 61 7.909 4.109 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.556 4.402 4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.306 5.784 3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.489 2.103 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.127 1.908 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.764 2.288 4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.284 5.088 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.726 4.863 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.965 3.460 1.976 1.00 0.00 H new ATOM 976 N GLN A 62 10.153 3.131 5.372 1.00 0.00 N ATOM 977 CA GLN A 62 11.411 2.395 5.485 1.00 0.00 C ATOM 978 C GLN A 62 11.178 0.922 5.158 1.00 0.00 C ATOM 979 O GLN A 62 10.041 0.503 4.922 1.00 0.00 O ATOM 980 CB GLN A 62 12.044 2.599 6.874 1.00 0.00 C ATOM 981 CG GLN A 62 12.268 4.082 7.221 1.00 0.00 C ATOM 982 CD GLN A 62 12.874 4.873 6.062 1.00 0.00 C ATOM 983 OE1 GLN A 62 13.954 4.571 5.563 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.170 5.876 5.568 1.00 0.00 N ATOM 0 H GLN A 62 9.579 3.091 6.214 1.00 0.00 H new ATOM 0 HA GLN A 62 12.126 2.785 4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.401 2.148 7.630 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.999 2.074 6.913 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.317 4.532 7.505 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.926 4.153 8.087 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.273 6.124 5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.524 6.402 4.769 1.00 0.00 H new ATOM 993 N LYS A 63 12.255 0.136 5.085 1.00 0.00 N ATOM 994 CA LYS A 63 12.138 -1.282 4.773 1.00 0.00 C ATOM 995 C LYS A 63 11.490 -2.038 5.927 1.00 0.00 C ATOM 996 O LYS A 63 11.498 -1.581 7.073 1.00 0.00 O ATOM 997 CB LYS A 63 13.457 -1.890 4.282 1.00 0.00 C ATOM 998 CG LYS A 63 14.531 -2.134 5.344 1.00 0.00 C ATOM 999 CD LYS A 63 15.648 -2.975 4.715 1.00 0.00 C ATOM 1000 CE LYS A 63 16.610 -3.460 5.795 1.00 0.00 C ATOM 1001 NZ LYS A 63 17.463 -4.564 5.315 1.00 0.00 N ATOM 0 H LYS A 63 13.210 0.459 5.237 1.00 0.00 H new ATOM 0 HA LYS A 63 11.465 -1.388 3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.235 -2.840 3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.874 -1.232 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.928 -1.186 5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.104 -2.651 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.219 -3.828 4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.187 -2.383 3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.238 -2.631 6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.043 -3.791 6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.103 -4.865 6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.865 -5.365 5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.024 -4.241 4.501 1.00 0.00 H new ATOM 1015 N GLU A 64 10.910 -3.185 5.596 1.00 0.00 N ATOM 1016 CA GLU A 64 10.206 -4.098 6.478 1.00 0.00 C ATOM 1017 C GLU A 64 9.107 -3.368 7.261 1.00 0.00 C ATOM 1018 O GLU A 64 8.914 -3.572 8.461 1.00 0.00 O ATOM 1019 CB GLU A 64 11.194 -4.947 7.294 1.00 0.00 C ATOM 1020 CG GLU A 64 11.875 -6.021 6.427 1.00 0.00 C ATOM 1021 CD GLU A 64 13.047 -5.503 5.582 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.938 -5.334 4.348 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.155 -5.376 6.147 1.00 0.00 O ATOM 0 H GLU A 64 10.922 -3.523 4.634 1.00 0.00 H new ATOM 0 HA GLU A 64 9.655 -4.838 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.953 -4.300 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.667 -5.426 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.235 -6.820 7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.131 -6.461 5.763 1.00 0.00 H new ATOM 1030 N SER A 65 8.415 -2.437 6.602 1.00 0.00 N ATOM 1031 CA SER A 65 7.315 -1.663 7.161 1.00 0.00 C ATOM 1032 C SER A 65 6.000 -2.434 6.974 1.00 0.00 C ATOM 1033 O SER A 65 5.942 -3.364 6.172 1.00 0.00 O ATOM 1034 CB SER A 65 7.279 -0.282 6.492 1.00 0.00 C ATOM 1035 OG SER A 65 7.537 -0.360 5.106 1.00 0.00 O ATOM 0 H SER A 65 8.615 -2.196 5.631 1.00 0.00 H new ATOM 0 HA SER A 65 7.456 -1.511 8.231 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.302 0.174 6.654 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.017 0.368 6.962 1.00 0.00 H new ATOM 0 HG SER A 65 8.352 0.142 4.896 1.00 0.00 H new ATOM 1041 N THR A 66 4.942 -2.070 7.703 1.00 0.00 N ATOM 1042 CA THR A 66 3.628 -2.702 7.597 1.00 0.00 C ATOM 1043 C THR A 66 2.608 -1.595 7.336 1.00 0.00 C ATOM 1044 O THR A 66 2.349 -0.728 8.177 1.00 0.00 O ATOM 1045 CB THR A 66 3.304 -3.611 8.790 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.250 -4.656 8.916 1.00 0.00 O ATOM 1047 CG2 THR A 66 1.960 -4.305 8.560 1.00 0.00 C ATOM 0 H THR A 66 4.976 -1.318 8.392 1.00 0.00 H new ATOM 0 HA THR A 66 3.603 -3.399 6.759 1.00 0.00 H new ATOM 0 HB THR A 66 3.303 -2.977 9.677 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.017 -5.217 9.685 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.733 -4.950 9.409 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.176 -3.555 8.455 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.011 -4.906 7.652 1.00 0.00 H new ATOM 1055 N LEU A 67 2.087 -1.609 6.114 1.00 0.00 N ATOM 1056 CA LEU A 67 1.108 -0.679 5.590 1.00 0.00 C ATOM 1057 C LEU A 67 -0.276 -1.324 5.687 1.00 0.00 C ATOM 1058 O LEU A 67 -0.398 -2.543 5.832 1.00 0.00 O ATOM 1059 CB LEU A 67 1.464 -0.356 4.126 1.00 0.00 C ATOM 1060 CG LEU A 67 2.755 0.470 3.921 1.00 0.00 C ATOM 1061 CD1 LEU A 67 4.063 -0.282 4.215 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.816 0.952 2.470 1.00 0.00 C ATOM 0 H LEU A 67 2.356 -2.313 5.427 1.00 0.00 H new ATOM 0 HA LEU A 67 1.105 0.250 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.563 -1.294 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.631 0.187 3.679 1.00 0.00 H new ATOM 0 HG LEU A 67 2.691 1.286 4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.911 0.381 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.067 -0.613 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.140 -1.148 3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.724 1.535 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.821 0.092 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.946 1.573 2.256 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.327 -0.511 5.643 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.718 -0.940 5.704 1.00 0.00 C ATOM 1076 C HIS A 68 -3.451 -0.527 4.434 1.00 0.00 C ATOM 1077 O HIS A 68 -3.008 0.365 3.708 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.405 -0.321 6.930 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.060 -0.999 8.227 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.104 -0.596 9.133 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -3.707 -2.086 8.751 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -2.167 -1.437 10.178 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -3.123 -2.364 9.990 1.00 0.00 N ATOM 0 H HIS A 68 -1.229 0.501 5.561 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.747 -2.026 5.791 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.129 0.731 6.997 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.485 -0.359 6.787 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.520 -2.629 8.291 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.535 -1.377 11.052 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.373 -3.121 10.626 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.578 -1.184 4.172 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.471 -0.945 3.050 1.00 0.00 C ATOM 1093 C LEU A 69 -6.820 -0.649 3.679 1.00 0.00 C ATOM 1094 O LEU A 69 -7.252 -1.416 4.548 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.535 -2.159 2.118 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.330 -2.219 1.167 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -4.202 -3.629 0.594 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.466 -1.211 0.016 1.00 0.00 C ATOM 0 H LEU A 69 -4.908 -1.939 4.773 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.129 -0.121 2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.573 -3.071 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.455 -2.120 1.535 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.438 -1.961 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.347 -3.671 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.058 -4.341 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.109 -3.883 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.595 -1.283 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.367 -1.432 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.533 -0.202 0.422 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.439 0.474 3.321 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.736 0.861 3.860 1.00 0.00 C ATOM 1112 C VAL A 70 -9.605 1.479 2.766 1.00 0.00 C ATOM 1113 O VAL A 70 -9.105 1.981 1.750 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.556 1.853 5.039 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.600 1.358 6.135 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.065 3.232 4.576 1.00 0.00 C ATOM 0 H VAL A 70 -7.054 1.139 2.650 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.238 -0.032 4.234 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.558 1.930 5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.529 2.109 6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.979 0.426 6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.612 1.187 5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.956 3.888 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.102 3.126 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.788 3.662 3.883 1.00 0.00 H new ATOM 1126 N LEU A 71 -10.913 1.517 3.023 1.00 0.00 N ATOM 1127 CA LEU A 71 -11.907 2.101 2.135 1.00 0.00 C ATOM 1128 C LEU A 71 -12.855 2.961 2.965 1.00 0.00 C ATOM 1129 O LEU A 71 -12.647 3.161 4.168 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.641 0.991 1.362 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.576 0.105 2.220 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -15.029 0.191 1.743 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.108 -1.351 2.191 1.00 0.00 C ATOM 0 H LEU A 71 -11.316 1.132 3.877 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.432 2.740 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.229 1.450 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.900 0.352 0.882 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.531 0.479 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.656 -0.444 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.374 1.223 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.093 -0.144 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.776 -1.960 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.118 -1.716 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.095 -1.416 2.589 1.00 0.00 H new ATOM 1145 N ARG A 72 -13.920 3.438 2.336 1.00 0.00 N ATOM 1146 CA ARG A 72 -14.972 4.252 2.910 1.00 0.00 C ATOM 1147 C ARG A 72 -16.131 4.042 1.952 1.00 0.00 C ATOM 1148 O ARG A 72 -15.907 4.031 0.745 1.00 0.00 O ATOM 1149 CB ARG A 72 -14.546 5.732 2.983 1.00 0.00 C ATOM 1150 CG ARG A 72 -15.340 6.506 4.041 1.00 0.00 C ATOM 1151 CD ARG A 72 -14.852 6.165 5.455 1.00 0.00 C ATOM 1152 NE ARG A 72 -15.913 6.372 6.444 1.00 0.00 N ATOM 1153 CZ ARG A 72 -16.032 5.727 7.603 1.00 0.00 C ATOM 1154 NH1 ARG A 72 -15.016 5.026 8.102 1.00 0.00 N ATOM 1155 NH2 ARG A 72 -17.179 5.783 8.253 1.00 0.00 N ATOM 0 H ARG A 72 -14.079 3.252 1.346 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.222 3.980 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -13.482 5.792 3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.689 6.199 2.009 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.238 7.577 3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.400 6.268 3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.518 5.128 5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.991 6.785 5.705 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.623 7.071 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.132 4.978 7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.122 4.537 8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.959 6.315 7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -17.286 5.294 9.142 1.00 0.00 H new ATOM 1169 N LEU A 73 -17.346 3.875 2.457 1.00 0.00 N ATOM 1170 CA LEU A 73 -18.514 3.652 1.619 1.00 0.00 C ATOM 1171 C LEU A 73 -19.671 4.346 2.314 1.00 0.00 C ATOM 1172 O LEU A 73 -19.858 4.129 3.515 1.00 0.00 O ATOM 1173 CB LEU A 73 -18.738 2.130 1.502 1.00 0.00 C ATOM 1174 CG LEU A 73 -19.214 1.669 0.116 1.00 0.00 C ATOM 1175 CD1 LEU A 73 -19.184 0.141 0.081 1.00 0.00 C ATOM 1176 CD2 LEU A 73 -20.632 2.144 -0.212 1.00 0.00 C ATOM 0 H LEU A 73 -17.548 3.890 3.457 1.00 0.00 H new ATOM 0 HA LEU A 73 -18.404 4.048 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.807 1.617 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.473 1.824 2.247 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.547 2.104 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -19.519 -0.207 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.167 -0.207 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.845 -0.254 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -20.915 1.789 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -21.328 1.749 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -20.664 3.233 -0.194 1.00 0.00 H new ATOM 1188 N ARG A 74 -20.442 5.179 1.609 1.00 0.00 N ATOM 1189 CA ARG A 74 -21.574 5.872 2.226 1.00 0.00 C ATOM 1190 C ARG A 74 -22.850 5.049 2.156 1.00 0.00 C ATOM 1191 O ARG A 74 -23.854 5.455 2.738 1.00 0.00 O ATOM 1192 CB ARG A 74 -21.692 7.325 1.745 1.00 0.00 C ATOM 1193 CG ARG A 74 -20.510 8.202 2.204 1.00 0.00 C ATOM 1194 CD ARG A 74 -20.205 8.136 3.713 1.00 0.00 C ATOM 1195 NE ARG A 74 -21.328 8.622 4.533 1.00 0.00 N ATOM 1196 CZ ARG A 74 -21.546 9.887 4.911 1.00 0.00 C ATOM 1197 NH1 ARG A 74 -20.712 10.854 4.540 1.00 0.00 N ATOM 1198 NH2 ARG A 74 -22.602 10.178 5.658 1.00 0.00 N ATOM 0 H ARG A 74 -20.304 5.388 0.620 1.00 0.00 H new ATOM 0 HA ARG A 74 -21.378 5.966 3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -21.749 7.340 0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -22.623 7.752 2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -19.618 7.902 1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -20.718 9.237 1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -19.975 7.107 3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -19.317 8.731 3.928 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.006 7.926 4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -19.900 10.634 3.964 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -20.884 11.816 4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -23.245 9.439 5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -22.772 11.141 5.948 1.00 0.00 H new ATOM 1212 N GLY A 75 -22.813 3.876 1.532 1.00 0.00 N ATOM 1213 CA GLY A 75 -23.922 2.937 1.451 1.00 0.00 C ATOM 1214 C GLY A 75 -23.842 2.064 2.717 1.00 0.00 C ATOM 1215 O GLY A 75 -23.969 0.842 2.640 1.00 0.00 O ATOM 0 H GLY A 75 -21.977 3.543 1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -24.875 3.464 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -23.849 2.325 0.552 1.00 0.00 H new ATOM 1219 N GLY A 76 -23.472 2.667 3.852 1.00 0.00 N ATOM 1220 CA GLY A 76 -23.292 2.115 5.178 1.00 0.00 C ATOM 1221 C GLY A 76 -22.883 3.277 6.059 1.00 0.00 C ATOM 1222 O GLY A 76 -23.517 4.350 5.968 1.00 0.00 O ATOM 0 H GLY A 76 -23.271 3.667 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -24.213 1.657 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.528 1.338 5.177 1.00 0.00 H new TER 1226 GLY A 76