USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= -0.0169 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.276 K(o=0.26,f=-2.3!) USER MOD Single : A 1 MET CE :methyl 168:sc= 0 (180deg=-0.254) USER MOD Single : A 1 MET N :NH3+ -154:sc= 2.48 (180deg=1.63) USER MOD Single : A 2 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.34) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 0.615 (180deg=-0.078) 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 -41:sc= 0.0705 USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 1.19 (180deg=1.06) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.03) USER MOD Single : A 31 GLN : amide:sc= -0.736 K(o=-0.74,f=-2.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0258 K(o=-0.026,f=-0.71) USER MOD Single : A 41 GLN : amide:sc= 1.04 K(o=1,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.32) USER MOD Single : A 55 THR OG1 : rot -88:sc= 1.39 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.0806 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.553 K(o=-0.55,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.324 -7.711 -6.012 1.00 9.67 N ATOM 2 CA MET A 1 10.443 -7.720 -4.491 1.00 10.38 C ATOM 3 C MET A 1 9.246 -8.104 -3.654 1.00 9.62 C ATOM 4 O MET A 1 8.156 -7.719 -3.924 1.00 9.62 O ATOM 5 CB MET A 1 10.951 -6.234 -4.141 1.00 13.77 C ATOM 6 CG MET A 1 11.225 -5.989 -2.664 1.00 16.29 C ATOM 7 SD MET A 1 11.797 -4.282 -2.280 1.00 17.17 S ATOM 8 CE MET A 1 10.201 -3.465 -2.418 1.00 16.11 C ATOM 0 H1 MET A 1 11.262 -7.866 -6.434 1.00 9.67 H new ATOM 0 H2 MET A 1 9.679 -8.468 -6.314 1.00 9.67 H new ATOM 0 H3 MET A 1 9.951 -6.792 -6.326 1.00 9.67 H new ATOM 0 HA MET A 1 11.113 -8.536 -4.219 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.863 -6.034 -4.704 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.202 -5.519 -4.482 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.316 -6.192 -2.098 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.978 -6.699 -2.322 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.274 -2.454 -2.017 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.905 -3.419 -3.466 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.455 -4.026 -1.855 1.00 16.11 H new ATOM 20 N GLN A 2 9.485 -8.914 -2.556 1.00 9.27 N ATOM 21 CA GLN A 2 8.400 -9.467 -1.734 1.00 9.07 C ATOM 22 C GLN A 2 8.078 -8.459 -0.686 1.00 8.72 C ATOM 23 O GLN A 2 8.991 -8.188 0.088 1.00 8.22 O ATOM 24 CB GLN A 2 8.791 -10.779 -0.995 1.00 14.46 C ATOM 25 CG GLN A 2 7.658 -11.333 -0.195 1.00 17.01 C ATOM 26 CD GLN A 2 8.278 -12.383 0.720 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.697 -12.206 1.850 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.315 -13.635 0.246 1.00 19.49 N ATOM 0 H GLN A 2 10.419 -9.180 -2.245 1.00 9.27 H new ATOM 0 HA GLN A 2 7.568 -9.693 -2.400 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.117 -11.521 -1.724 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.638 -10.585 -0.337 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.167 -10.550 0.383 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.900 -11.775 -0.842 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.975 -13.834 -0.695 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.683 -14.389 0.826 1.00 19.49 H new ATOM 37 N ILE A 3 6.769 -8.051 -0.500 1.00 5.87 N ATOM 38 CA ILE A 3 6.318 -7.354 0.719 1.00 5.07 C ATOM 39 C ILE A 3 4.897 -7.928 1.107 1.00 4.01 C ATOM 40 O ILE A 3 4.200 -8.611 0.371 1.00 4.61 O ATOM 41 CB ILE A 3 6.268 -5.823 0.580 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.374 -5.342 -0.640 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.730 -5.310 0.421 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.171 -3.751 -0.575 1.00 10.83 C ATOM 0 H ILE A 3 6.030 -8.202 -1.187 1.00 5.87 H new ATOM 0 HA ILE A 3 7.050 -7.541 1.505 1.00 5.07 H new ATOM 0 HB ILE A 3 5.801 -5.408 1.473 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.849 -5.619 -1.581 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.406 -5.842 -0.612 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.726 -4.225 0.320 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.312 -5.591 1.299 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.177 -5.755 -0.468 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.557 -3.428 -1.415 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.677 -3.485 0.359 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.142 -3.258 -0.625 1.00 10.83 H new ATOM 56 N PHE A 4 4.496 -7.597 2.337 1.00 4.55 N ATOM 57 CA PHE A 4 3.218 -8.078 2.859 1.00 4.68 C ATOM 58 C PHE A 4 2.340 -6.901 3.204 1.00 5.30 C ATOM 59 O PHE A 4 2.743 -5.871 3.664 1.00 5.58 O ATOM 60 CB PHE A 4 3.482 -8.831 4.242 1.00 4.83 C ATOM 61 CG PHE A 4 4.239 -10.089 3.949 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.665 -11.311 3.554 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.586 -10.109 4.357 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.480 -12.436 3.311 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.411 -11.240 4.091 1.00 10.61 C ATOM 66 CZ PHE A 4 5.856 -12.384 3.565 1.00 8.90 C ATOM 0 H PHE A 4 5.028 -7.009 2.979 1.00 4.55 H new ATOM 0 HA PHE A 4 2.755 -8.723 2.112 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.050 -8.194 4.920 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.538 -9.061 4.736 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.594 -11.388 3.436 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.999 -9.258 4.878 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.040 -13.344 2.926 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.469 -11.199 4.302 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.480 -13.239 3.349 1.00 8.90 H new ATOM 76 N VAL A 5 0.989 -6.966 2.974 1.00 4.44 N ATOM 77 CA VAL A 5 0.038 -5.867 3.156 1.00 3.87 C ATOM 78 C VAL A 5 -1.153 -6.372 3.981 1.00 4.93 C ATOM 79 O VAL A 5 -1.680 -7.437 3.628 1.00 6.84 O ATOM 80 CB VAL A 5 -0.485 -5.366 1.807 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.576 -4.273 1.987 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.717 -4.850 0.953 1.00 9.13 C ATOM 0 H VAL A 5 0.539 -7.821 2.647 1.00 4.44 H new ATOM 0 HA VAL A 5 0.548 -5.049 3.665 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.964 -6.192 1.281 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.924 -3.941 1.009 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.414 -4.685 2.549 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.156 -3.426 2.529 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.352 -4.491 -0.010 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.214 -4.035 1.479 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.425 -5.663 0.793 1.00 9.13 H new ATOM 92 N LYS A 6 -1.589 -5.669 5.069 1.00 6.04 N ATOM 93 CA LYS A 6 -2.597 -6.224 6.013 1.00 6.12 C ATOM 94 C LYS A 6 -3.565 -5.129 6.497 1.00 6.57 C ATOM 95 O LYS A 6 -3.229 -4.022 6.908 1.00 5.76 O ATOM 96 CB LYS A 6 -1.973 -6.902 7.253 1.00 7.45 C ATOM 97 CG LYS A 6 -0.805 -6.110 7.867 1.00 11.12 C ATOM 98 CD LYS A 6 -0.205 -6.884 9.093 1.00 14.54 C ATOM 99 CE LYS A 6 -1.111 -6.928 10.281 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.416 -7.354 11.471 1.00 20.55 N ATOM 0 H LYS A 6 -1.262 -4.733 5.308 1.00 6.04 H new ATOM 0 HA LYS A 6 -3.131 -6.985 5.444 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.746 -7.038 8.009 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.621 -7.895 6.975 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.031 -5.949 7.116 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.151 -5.126 8.184 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.028 -7.904 8.788 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.735 -6.415 9.382 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.542 -5.940 10.446 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.939 -7.608 10.081 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.079 -7.371 12.272 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.026 -8.307 11.323 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.359 -6.691 11.677 1.00 20.55 H new ATOM 114 N THR A 7 -4.876 -5.414 6.461 1.00 7.41 N ATOM 115 CA THR A 7 -5.908 -4.541 7.050 1.00 7.48 C ATOM 116 C THR A 7 -6.062 -4.857 8.489 1.00 8.75 C ATOM 117 O THR A 7 -5.724 -5.944 8.893 1.00 8.58 O ATOM 118 CB THR A 7 -7.220 -4.659 6.305 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.669 -5.977 6.413 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.979 -4.303 4.840 1.00 9.17 C ATOM 0 H THR A 7 -5.252 -6.255 6.023 1.00 7.41 H new ATOM 0 HA THR A 7 -5.590 -3.503 6.956 1.00 7.48 H new ATOM 0 HB THR A 7 -7.969 -3.985 6.720 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.520 -6.073 5.937 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.915 -4.383 4.287 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.603 -3.282 4.771 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.247 -4.989 4.414 1.00 9.17 H new ATOM 128 N LEU A 8 -6.789 -4.019 9.237 1.00 9.84 N ATOM 129 CA LEU A 8 -7.341 -4.340 10.546 1.00 14.15 C ATOM 130 C LEU A 8 -8.198 -5.624 10.613 1.00 17.37 C ATOM 131 O LEU A 8 -8.050 -6.402 11.582 1.00 17.01 O ATOM 132 CB LEU A 8 -8.214 -3.086 11.108 1.00 16.63 C ATOM 133 CG LEU A 8 -8.805 -3.305 12.498 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.766 -3.337 13.623 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.781 -2.147 12.790 1.00 18.59 C ATOM 0 H LEU A 8 -7.013 -3.071 8.933 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.469 -4.536 11.171 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.581 -2.199 11.131 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.025 -2.881 10.409 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.289 -4.282 12.483 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.268 -3.497 14.577 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.061 -4.148 13.444 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.229 -2.389 13.649 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.218 -2.280 13.780 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.243 -1.200 12.755 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.573 -2.141 12.041 1.00 18.59 H new ATOM 147 N THR A 9 -9.085 -5.918 9.606 1.00 18.33 N ATOM 148 CA THR A 9 -9.943 -7.018 9.717 1.00 19.24 C ATOM 149 C THR A 9 -9.379 -8.333 9.080 1.00 19.48 C ATOM 150 O THR A 9 -10.054 -9.372 8.883 1.00 23.14 O ATOM 151 CB THR A 9 -11.369 -6.756 9.228 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.411 -6.263 7.841 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.919 -5.610 10.107 1.00 19.70 C ATOM 0 H THR A 9 -9.180 -5.382 8.743 1.00 18.33 H new ATOM 0 HA THR A 9 -9.998 -7.175 10.794 1.00 19.24 H new ATOM 0 HB THR A 9 -11.932 -7.687 9.283 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.342 -6.113 7.575 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.940 -5.377 9.804 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.912 -5.918 11.153 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.293 -4.726 9.985 1.00 19.70 H new ATOM 161 N GLY A 10 -8.082 -8.312 8.773 1.00 19.43 N ATOM 162 CA GLY A 10 -7.220 -9.438 8.540 1.00 18.74 C ATOM 163 C GLY A 10 -7.006 -9.884 7.107 1.00 17.62 C ATOM 164 O GLY A 10 -7.407 -9.206 6.160 1.00 19.74 O ATOM 0 H GLY A 10 -7.581 -7.429 8.677 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.244 -9.206 8.967 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.619 -10.285 9.098 1.00 18.74 H new ATOM 168 N LYS A 11 -6.402 -11.085 6.977 1.00 13.56 N ATOM 169 CA LYS A 11 -5.826 -11.687 5.796 1.00 11.91 C ATOM 170 C LYS A 11 -4.652 -10.907 5.194 1.00 10.18 C ATOM 171 O LYS A 11 -4.786 -10.206 4.199 1.00 9.10 O ATOM 172 CB LYS A 11 -6.913 -12.121 4.735 1.00 13.43 C ATOM 173 CG LYS A 11 -6.415 -13.097 3.650 1.00 16.69 C ATOM 174 CD LYS A 11 -7.363 -13.144 2.462 1.00 17.92 C ATOM 175 CE LYS A 11 -7.295 -11.854 1.639 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.998 -12.036 0.387 1.00 21.93 N ATOM 0 H LYS A 11 -6.306 -11.701 7.784 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.370 -12.612 6.148 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.748 -12.583 5.262 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.300 -11.226 4.247 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.424 -12.793 3.314 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.315 -14.095 4.076 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.112 -13.995 1.828 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.383 -13.299 2.815 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.737 -11.030 2.199 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.255 -11.588 1.448 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.217 -11.107 -0.027 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.401 -12.576 -0.271 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.883 -12.556 0.558 1.00 21.93 H new ATOM 190 N THR A 12 -3.479 -11.065 5.802 1.00 9.63 N ATOM 191 CA THR A 12 -2.185 -10.480 5.269 1.00 9.85 C ATOM 192 C THR A 12 -1.896 -11.100 3.947 1.00 11.66 C ATOM 193 O THR A 12 -1.994 -12.335 3.772 1.00 12.33 O ATOM 194 CB THR A 12 -0.934 -10.771 6.124 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.050 -10.491 7.516 1.00 10.91 O ATOM 196 CG2 THR A 12 0.249 -9.899 5.629 1.00 9.63 C ATOM 0 H THR A 12 -3.366 -11.590 6.669 1.00 9.63 H new ATOM 0 HA THR A 12 -2.350 -9.403 5.250 1.00 9.85 H new ATOM 0 HB THR A 12 -0.787 -11.845 6.006 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.207 -10.711 7.965 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.132 -10.106 6.234 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.461 -10.132 4.586 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.013 -8.845 5.719 1.00 9.63 H new ATOM 204 N ILE A 13 -1.473 -10.296 2.931 1.00 10.42 N ATOM 205 CA ILE A 13 -1.291 -10.774 1.559 1.00 11.84 C ATOM 206 C ILE A 13 0.103 -10.571 1.072 1.00 10.55 C ATOM 207 O ILE A 13 0.723 -9.546 1.344 1.00 11.92 O ATOM 208 CB ILE A 13 -2.278 -10.183 0.493 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.155 -8.644 0.278 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.643 -10.627 0.935 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.246 -8.190 -0.731 1.00 16.46 C ATOM 0 H ILE A 13 -1.254 -9.307 3.054 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.521 -11.836 1.647 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.039 -10.558 -0.502 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.276 -8.120 1.226 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.164 -8.394 -0.100 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.391 -10.252 0.237 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.682 -11.716 0.957 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.848 -10.236 1.932 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.170 -7.114 -0.890 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.102 -8.708 -1.679 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.232 -8.429 -0.333 1.00 16.46 H new ATOM 223 N THR A 14 0.627 -11.552 0.298 1.00 9.39 N ATOM 224 CA THR A 14 1.888 -11.404 -0.454 1.00 9.63 C ATOM 225 C THR A 14 1.865 -10.548 -1.680 1.00 11.20 C ATOM 226 O THR A 14 1.145 -10.799 -2.659 1.00 11.63 O ATOM 227 CB THR A 14 2.559 -12.794 -0.754 1.00 10.38 C ATOM 228 OG1 THR A 14 2.511 -13.615 0.377 1.00 16.30 O ATOM 229 CG2 THR A 14 4.018 -12.641 -1.091 1.00 11.66 C ATOM 0 H THR A 14 0.186 -12.464 0.180 1.00 9.39 H new ATOM 0 HA THR A 14 2.503 -10.832 0.241 1.00 9.63 H new ATOM 0 HB THR A 14 2.010 -13.224 -1.592 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.931 -14.477 0.174 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.450 -13.621 -1.293 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.123 -12.010 -1.973 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.539 -12.181 -0.251 1.00 11.66 H new ATOM 237 N LEU A 15 2.702 -9.555 -1.797 1.00 8.29 N ATOM 238 CA LEU A 15 2.672 -8.663 -2.943 1.00 9.03 C ATOM 239 C LEU A 15 3.989 -8.582 -3.585 1.00 8.59 C ATOM 240 O LEU A 15 5.066 -8.593 -2.968 1.00 7.79 O ATOM 241 CB LEU A 15 2.224 -7.216 -2.506 1.00 11.08 C ATOM 242 CG LEU A 15 1.442 -6.502 -3.682 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.069 -7.073 -3.975 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.386 -5.018 -3.433 1.00 15.27 C ATOM 0 H LEU A 15 3.423 -9.334 -1.110 1.00 8.29 H new ATOM 0 HA LEU A 15 1.954 -9.070 -3.655 1.00 9.03 H new ATOM 0 HB2 LEU A 15 1.589 -7.276 -1.622 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.098 -6.625 -2.231 1.00 11.08 H new ATOM 0 HG LEU A 15 2.012 -6.702 -4.590 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.388 -6.519 -4.795 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.163 -8.122 -4.254 1.00 15.88 H new ATOM 0 HD13 LEU A 15 -0.557 -6.989 -3.087 1.00 15.88 H new ATOM 0 HD21 LEU A 15 0.846 -4.533 -4.246 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.872 -4.826 -2.491 1.00 15.27 H new ATOM 0 HD23 LEU A 15 2.399 -4.619 -3.381 1.00 15.27 H new ATOM 256 N GLU A 16 3.945 -8.455 -4.937 1.00 11.04 N ATOM 257 CA GLU A 16 5.068 -8.444 -5.788 1.00 11.50 C ATOM 258 C GLU A 16 5.145 -7.057 -6.480 1.00 10.13 C ATOM 259 O GLU A 16 4.320 -6.671 -7.299 1.00 9.83 O ATOM 260 CB GLU A 16 4.949 -9.661 -6.696 1.00 17.22 C ATOM 261 CG GLU A 16 6.197 -9.931 -7.621 1.00 23.33 C ATOM 262 CD GLU A 16 7.564 -9.964 -6.910 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.754 -10.816 -6.024 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.475 -9.174 -7.275 1.00 28.90 O ATOM 0 H GLU A 16 3.066 -8.356 -5.444 1.00 11.04 H new ATOM 0 HA GLU A 16 6.027 -8.545 -5.279 1.00 11.50 H new ATOM 0 HB2 GLU A 16 4.778 -10.542 -6.077 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.068 -9.539 -7.327 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.050 -10.884 -8.129 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.228 -9.161 -8.392 1.00 23.33 H new ATOM 271 N VAL A 17 6.173 -6.304 -6.090 1.00 8.99 N ATOM 272 CA VAL A 17 6.436 -4.940 -6.488 1.00 8.85 C ATOM 273 C VAL A 17 7.939 -4.727 -6.806 1.00 8.04 C ATOM 274 O VAL A 17 8.682 -5.634 -6.451 1.00 8.99 O ATOM 275 CB VAL A 17 5.959 -3.958 -5.413 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.450 -4.152 -5.133 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.709 -4.200 -4.044 1.00 10.54 C ATOM 0 H VAL A 17 6.882 -6.661 -5.449 1.00 8.99 H new ATOM 0 HA VAL A 17 5.873 -4.744 -7.401 1.00 8.85 H new ATOM 0 HB VAL A 17 6.165 -2.956 -5.790 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.128 -3.446 -4.367 1.00 12.05 H new ATOM 0 HG12 VAL A 17 3.885 -3.977 -6.048 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.272 -5.170 -4.786 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.349 -3.488 -3.301 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.515 -5.215 -3.697 1.00 10.54 H new ATOM 0 HG23 VAL A 17 7.781 -4.064 -4.187 1.00 10.54 H new ATOM 287 N GLU A 18 8.337 -3.613 -7.398 1.00 7.29 N ATOM 288 CA GLU A 18 9.727 -3.226 -7.532 1.00 7.08 C ATOM 289 C GLU A 18 10.077 -2.036 -6.604 1.00 6.45 C ATOM 290 O GLU A 18 9.182 -1.325 -6.148 1.00 5.28 O ATOM 291 CB GLU A 18 10.096 -2.693 -8.916 1.00 10.28 C ATOM 292 CG GLU A 18 9.870 -3.705 -10.054 1.00 12.65 C ATOM 293 CD GLU A 18 10.681 -4.952 -10.038 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.886 -4.920 -9.613 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.134 -5.989 -10.442 1.00 18.17 O ATOM 0 H GLU A 18 7.688 -2.941 -7.806 1.00 7.29 H new ATOM 0 HA GLU A 18 10.260 -4.148 -7.300 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.509 -1.797 -9.118 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.144 -2.394 -8.912 1.00 10.28 H new ATOM 0 HG2 GLU A 18 8.818 -3.989 -10.047 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.057 -3.195 -10.999 1.00 12.65 H new ATOM 302 N PRO A 19 11.330 -1.692 -6.282 1.00 7.24 N ATOM 303 CA PRO A 19 11.609 -0.668 -5.221 1.00 7.07 C ATOM 304 C PRO A 19 11.385 0.712 -5.740 1.00 6.65 C ATOM 305 O PRO A 19 11.187 1.623 -4.960 1.00 6.37 O ATOM 306 CB PRO A 19 13.105 -0.951 -4.913 1.00 7.61 C ATOM 307 CG PRO A 19 13.489 -2.346 -5.387 1.00 8.16 C ATOM 308 CD PRO A 19 12.382 -2.690 -6.423 1.00 7.49 C ATOM 0 HA PRO A 19 10.966 -0.730 -4.343 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.731 -0.207 -5.405 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.286 -0.861 -3.842 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.481 -2.358 -5.839 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.505 -3.060 -4.564 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.787 -2.681 -7.435 1.00 7.49 H new ATOM 0 HD3 PRO A 19 11.988 -3.691 -6.246 1.00 7.49 H new ATOM 316 N SER A 20 11.378 0.861 -7.104 1.00 6.80 N ATOM 317 CA SER A 20 11.023 2.073 -7.786 1.00 6.28 C ATOM 318 C SER A 20 9.551 2.254 -8.023 1.00 8.45 C ATOM 319 O SER A 20 9.102 3.263 -8.489 1.00 7.26 O ATOM 320 CB SER A 20 11.744 2.278 -9.163 1.00 8.57 C ATOM 321 OG SER A 20 11.797 3.624 -9.683 1.00 11.13 O ATOM 0 H SER A 20 11.630 0.104 -7.739 1.00 6.80 H new ATOM 0 HA SER A 20 11.369 2.824 -7.076 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.766 1.912 -9.068 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.248 1.649 -9.902 1.00 8.57 H new ATOM 0 HG SER A 20 10.937 4.068 -9.529 1.00 11.13 H new ATOM 327 N ASP A 21 8.675 1.242 -7.649 1.00 7.50 N ATOM 328 CA ASP A 21 7.288 1.407 -7.775 1.00 7.70 C ATOM 329 C ASP A 21 6.763 2.434 -6.695 1.00 7.08 C ATOM 330 O ASP A 21 7.216 2.517 -5.522 1.00 8.11 O ATOM 331 CB ASP A 21 6.581 0.040 -7.610 1.00 11.00 C ATOM 332 CG ASP A 21 6.670 -0.863 -8.783 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.831 -0.410 -9.962 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.475 -2.098 -8.643 1.00 14.36 O ATOM 0 H ASP A 21 8.965 0.341 -7.270 1.00 7.50 H new ATOM 0 HA ASP A 21 7.063 1.802 -8.766 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.008 -0.470 -6.746 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.529 0.218 -7.388 1.00 11.00 H new ATOM 339 N THR A 22 5.841 3.282 -7.108 1.00 5.37 N ATOM 340 CA THR A 22 5.178 4.271 -6.293 1.00 6.01 C ATOM 341 C THR A 22 4.099 3.642 -5.487 1.00 8.01 C ATOM 342 O THR A 22 3.625 2.568 -5.836 1.00 8.11 O ATOM 343 CB THR A 22 4.705 5.524 -6.998 1.00 8.92 C ATOM 344 OG1 THR A 22 3.855 5.090 -8.077 1.00 10.22 O ATOM 345 CG2 THR A 22 5.881 6.346 -7.612 1.00 9.65 C ATOM 0 H THR A 22 5.520 3.297 -8.076 1.00 5.37 H new ATOM 0 HA THR A 22 5.959 4.650 -5.634 1.00 6.01 H new ATOM 0 HB THR A 22 4.198 6.166 -6.277 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.521 5.871 -8.565 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.486 7.234 -8.105 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.567 6.646 -6.820 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.412 5.733 -8.340 1.00 9.65 H new ATOM 353 N ILE A 23 3.649 4.331 -4.436 1.00 8.32 N ATOM 354 CA ILE A 23 2.426 3.913 -3.710 1.00 9.92 C ATOM 355 C ILE A 23 1.188 3.889 -4.632 1.00 10.01 C ATOM 356 O ILE A 23 0.440 2.924 -4.592 1.00 8.71 O ATOM 357 CB ILE A 23 2.276 4.724 -2.449 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.012 4.165 -1.168 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.813 4.872 -2.076 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.400 3.590 -1.416 1.00 12.30 C ATOM 0 H ILE A 23 4.098 5.169 -4.066 1.00 8.32 H new ATOM 0 HA ILE A 23 2.525 2.876 -3.388 1.00 9.92 H new ATOM 0 HB ILE A 23 2.751 5.670 -2.711 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.095 4.969 -0.437 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.390 3.390 -0.721 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.728 5.461 -1.163 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.281 5.375 -2.883 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.377 3.886 -1.914 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.820 3.234 -0.475 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.330 2.760 -2.120 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.046 4.364 -1.831 1.00 12.30 H new ATOM 372 N GLU A 24 1.117 4.787 -5.639 1.00 9.54 N ATOM 373 CA GLU A 24 0.109 4.683 -6.716 1.00 11.81 C ATOM 374 C GLU A 24 0.129 3.248 -7.395 1.00 11.14 C ATOM 375 O GLU A 24 -0.851 2.570 -7.594 1.00 10.62 O ATOM 376 CB GLU A 24 0.458 5.711 -7.746 1.00 19.24 C ATOM 377 CG GLU A 24 -0.637 6.038 -8.798 1.00 27.76 C ATOM 378 CD GLU A 24 -0.323 6.847 -9.977 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.458 7.837 -9.913 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.762 6.462 -11.089 1.00 34.80 O ATOM 0 H GLU A 24 1.742 5.588 -5.728 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.886 4.840 -6.300 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.722 6.634 -7.231 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.350 5.375 -8.275 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.031 5.087 -9.157 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.448 6.540 -8.271 1.00 27.76 H new ATOM 387 N ASN A 25 1.349 2.737 -7.763 1.00 9.43 N ATOM 388 CA ASN A 25 1.507 1.426 -8.401 1.00 10.96 C ATOM 389 C ASN A 25 1.198 0.317 -7.412 1.00 9.68 C ATOM 390 O ASN A 25 0.709 -0.690 -7.864 1.00 9.33 O ATOM 391 CB ASN A 25 2.833 1.090 -9.031 1.00 16.78 C ATOM 392 CG ASN A 25 3.404 2.218 -9.893 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.604 2.442 -9.758 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.602 2.778 -10.855 1.00 24.70 N ATOM 0 H ASN A 25 2.229 3.232 -7.619 1.00 9.43 H new ATOM 0 HA ASN A 25 0.802 1.500 -9.229 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.548 0.847 -8.245 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.718 0.197 -9.645 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.996 3.435 -11.528 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.612 2.537 -10.897 1.00 24.70 H new ATOM 401 N VAL A 26 1.580 0.470 -6.164 1.00 6.52 N ATOM 402 CA VAL A 26 1.363 -0.497 -5.157 1.00 5.53 C ATOM 403 C VAL A 26 -0.148 -0.761 -4.920 1.00 4.42 C ATOM 404 O VAL A 26 -0.569 -1.899 -4.759 1.00 3.40 O ATOM 405 CB VAL A 26 2.047 -0.156 -3.817 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.563 -1.116 -2.712 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.552 -0.303 -3.926 1.00 8.12 C ATOM 0 H VAL A 26 2.064 1.303 -5.830 1.00 6.52 H new ATOM 0 HA VAL A 26 1.828 -1.406 -5.538 1.00 5.53 H new ATOM 0 HB VAL A 26 1.789 0.874 -3.572 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.053 -0.865 -1.771 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.483 -1.022 -2.595 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.810 -2.141 -2.987 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.012 -0.057 -2.969 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.799 -1.330 -4.194 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.929 0.373 -4.694 1.00 8.12 H new ATOM 417 N LYS A 27 -0.910 0.354 -4.805 1.00 2.64 N ATOM 418 CA LYS A 27 -2.387 0.318 -4.780 1.00 4.14 C ATOM 419 C LYS A 27 -3.038 -0.250 -6.023 1.00 5.58 C ATOM 420 O LYS A 27 -4.049 -0.918 -5.984 1.00 4.11 O ATOM 421 CB LYS A 27 -3.021 1.682 -4.345 1.00 3.97 C ATOM 422 CG LYS A 27 -2.635 2.104 -2.850 1.00 7.45 C ATOM 423 CD LYS A 27 -3.347 3.381 -2.323 1.00 9.02 C ATOM 424 CE LYS A 27 -2.962 4.660 -3.024 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.124 5.851 -2.229 1.00 15.47 N ATOM 0 H LYS A 27 -0.520 1.293 -4.728 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.616 -0.407 -3.999 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.696 2.463 -5.032 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.106 1.615 -4.429 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.869 1.274 -2.183 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.557 2.260 -2.799 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.424 3.243 -2.416 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.130 3.487 -1.260 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.921 4.588 -3.338 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.562 4.758 -3.929 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.433 6.567 -2.532 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.087 6.224 -2.354 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.969 5.623 -1.226 1.00 15.47 H new ATOM 439 N ALA A 28 -2.473 0.040 -7.230 1.00 6.61 N ATOM 440 CA ALA A 28 -2.790 -0.584 -8.531 1.00 7.74 C ATOM 441 C ALA A 28 -2.627 -2.087 -8.483 1.00 9.17 C ATOM 442 O ALA A 28 -3.389 -2.850 -9.019 1.00 11.45 O ATOM 443 CB ALA A 28 -1.913 0.058 -9.590 1.00 7.68 C ATOM 0 H ALA A 28 -1.748 0.753 -7.317 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.837 -0.412 -8.780 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.130 -0.388 -10.561 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.114 1.129 -9.629 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.864 -0.105 -9.342 1.00 7.68 H new ATOM 449 N LYS A 29 -1.570 -2.593 -7.771 1.00 8.96 N ATOM 450 CA LYS A 29 -1.340 -4.033 -7.724 1.00 7.90 C ATOM 451 C LYS A 29 -1.938 -4.791 -6.533 1.00 6.92 C ATOM 452 O LYS A 29 -2.184 -6.008 -6.552 1.00 6.87 O ATOM 453 CB LYS A 29 0.189 -4.237 -7.934 1.00 10.28 C ATOM 454 CG LYS A 29 0.620 -3.701 -9.351 1.00 14.94 C ATOM 455 CD LYS A 29 2.044 -3.930 -9.854 1.00 19.69 C ATOM 456 CE LYS A 29 3.169 -3.283 -8.963 1.00 22.63 C ATOM 457 NZ LYS A 29 4.399 -3.236 -9.765 1.00 24.98 N ATOM 0 H LYS A 29 -0.899 -2.030 -7.248 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.910 -4.507 -8.523 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.743 -3.714 -7.155 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.438 -5.295 -7.846 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.057 -4.141 -10.083 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.443 -2.626 -9.358 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.223 -5.003 -9.919 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.126 -3.531 -10.865 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.879 -2.281 -8.648 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.325 -3.869 -8.057 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.141 -2.736 -9.234 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.715 -4.205 -9.973 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.213 -2.734 -10.656 1.00 24.98 H new ATOM 471 N ILE A 30 -2.305 -3.970 -5.504 1.00 4.57 N ATOM 472 CA ILE A 30 -3.285 -4.473 -4.509 1.00 5.58 C ATOM 473 C ILE A 30 -4.653 -4.666 -5.209 1.00 7.26 C ATOM 474 O ILE A 30 -5.365 -5.663 -5.013 1.00 9.46 O ATOM 475 CB ILE A 30 -3.458 -3.588 -3.239 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.148 -3.475 -2.446 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.525 -4.153 -2.378 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.058 -2.292 -1.393 1.00 2.00 C ATOM 0 H ILE A 30 -1.962 -3.022 -5.351 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.882 -5.416 -4.139 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.738 -2.585 -3.562 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.987 -4.415 -1.918 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.328 -3.363 -3.156 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.643 -3.532 -1.490 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.464 -4.178 -2.931 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.253 -5.165 -2.079 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.087 -2.318 -0.899 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.178 -1.338 -1.906 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.847 -2.406 -0.650 1.00 2.00 H new ATOM 490 N GLN A 31 -5.013 -3.724 -6.137 1.00 7.06 N ATOM 491 CA GLN A 31 -6.198 -3.961 -6.958 1.00 8.67 C ATOM 492 C GLN A 31 -6.018 -5.237 -7.827 1.00 10.90 C ATOM 493 O GLN A 31 -6.959 -6.059 -7.871 1.00 9.63 O ATOM 494 CB GLN A 31 -6.597 -2.787 -7.870 1.00 9.12 C ATOM 495 CG GLN A 31 -7.930 -3.032 -8.585 1.00 10.76 C ATOM 496 CD GLN A 31 -8.427 -1.924 -9.502 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.392 -1.184 -9.225 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.743 -1.702 -10.631 1.00 14.76 N ATOM 0 H GLN A 31 -4.519 -2.849 -6.314 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.010 -4.087 -6.241 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.668 -1.876 -7.276 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.815 -2.623 -8.611 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.838 -3.945 -9.173 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.693 -3.216 -7.829 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.951 -2.298 -10.873 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.014 -0.937 -11.249 1.00 14.76 H new ATOM 507 N ASP A 32 -4.930 -5.383 -8.532 1.00 10.93 N ATOM 508 CA ASP A 32 -4.667 -6.599 -9.304 1.00 14.01 C ATOM 509 C ASP A 32 -4.752 -7.881 -8.443 1.00 14.04 C ATOM 510 O ASP A 32 -5.387 -8.850 -8.854 1.00 13.39 O ATOM 511 CB ASP A 32 -3.287 -6.441 -10.015 1.00 18.01 C ATOM 512 CG ASP A 32 -3.048 -7.582 -10.915 1.00 24.33 C ATOM 513 OD1 ASP A 32 -2.940 -8.802 -10.575 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.051 -7.316 -12.156 1.00 25.17 O ATOM 0 H ASP A 32 -4.197 -4.677 -8.597 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.446 -6.722 -10.057 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.266 -5.510 -10.582 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.491 -6.381 -9.272 1.00 18.01 H new ATOM 519 N LYS A 33 -4.283 -7.903 -7.131 1.00 14.22 N ATOM 520 CA LYS A 33 -4.308 -9.010 -6.166 1.00 14.00 C ATOM 521 C LYS A 33 -5.771 -9.204 -5.686 1.00 12.37 C ATOM 522 O LYS A 33 -6.300 -10.310 -5.654 1.00 12.17 O ATOM 523 CB LYS A 33 -3.303 -8.737 -4.998 1.00 18.62 C ATOM 524 CG LYS A 33 -2.982 -10.054 -4.231 1.00 24.00 C ATOM 525 CD LYS A 33 -2.078 -10.924 -5.079 1.00 27.61 C ATOM 526 CE LYS A 33 -1.435 -12.099 -4.348 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.613 -12.982 -5.271 1.00 30.06 N ATOM 0 H LYS A 33 -3.853 -7.072 -6.724 1.00 14.22 H new ATOM 0 HA LYS A 33 -3.979 -9.941 -6.628 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.383 -8.308 -5.395 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.726 -8.004 -4.311 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.498 -9.826 -3.281 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.904 -10.587 -3.999 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.656 -11.311 -5.918 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.288 -10.300 -5.497 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.796 -11.720 -3.550 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.213 -12.698 -3.876 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.199 -13.764 -4.725 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.225 -13.367 -6.018 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.148 -12.420 -5.702 1.00 30.06 H new ATOM 541 N GLU A 34 -6.430 -8.132 -5.234 1.00 10.11 N ATOM 542 CA GLU A 34 -7.568 -8.174 -4.258 1.00 10.07 C ATOM 543 C GLU A 34 -8.858 -7.505 -4.799 1.00 9.32 C ATOM 544 O GLU A 34 -9.941 -7.745 -4.275 1.00 11.61 O ATOM 545 CB GLU A 34 -7.304 -7.357 -2.929 1.00 14.77 C ATOM 546 CG GLU A 34 -6.392 -8.113 -1.966 1.00 18.75 C ATOM 547 CD GLU A 34 -6.970 -9.423 -1.409 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.928 -9.298 -0.641 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.459 -10.527 -1.704 1.00 25.19 O ATOM 0 H GLU A 34 -6.197 -7.184 -5.531 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.671 -9.245 -4.083 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.853 -6.396 -3.177 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.254 -7.146 -2.438 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.456 -8.336 -2.477 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.150 -7.457 -1.130 1.00 18.75 H new ATOM 556 N GLY A 35 -8.779 -6.728 -5.841 1.00 7.22 N ATOM 557 CA GLY A 35 -9.957 -6.182 -6.545 1.00 6.29 C ATOM 558 C GLY A 35 -10.519 -4.884 -6.076 1.00 6.93 C ATOM 559 O GLY A 35 -11.322 -4.215 -6.755 1.00 7.41 O ATOM 0 H GLY A 35 -7.891 -6.438 -6.250 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.694 -6.070 -7.597 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.751 -6.927 -6.492 1.00 6.29 H new ATOM 563 N ILE A 36 -9.984 -4.359 -4.985 1.00 5.86 N ATOM 564 CA ILE A 36 -10.323 -3.186 -4.258 1.00 6.07 C ATOM 565 C ILE A 36 -9.937 -1.922 -5.049 1.00 6.36 C ATOM 566 O ILE A 36 -8.741 -1.803 -5.279 1.00 6.18 O ATOM 567 CB ILE A 36 -9.534 -3.227 -2.892 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.913 -4.545 -2.165 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.938 -1.985 -2.058 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.599 -4.518 -0.682 1.00 9.49 C ATOM 0 H ILE A 36 -9.193 -4.827 -4.544 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.399 -3.153 -4.085 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.455 -3.204 -3.043 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.978 -4.735 -2.301 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.379 -5.375 -2.628 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.403 -1.995 -1.108 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.684 -1.079 -2.608 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.011 -2.007 -1.870 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.887 -5.468 -0.232 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.530 -4.358 -0.539 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.153 -3.708 -0.207 1.00 9.49 H new ATOM 582 N PRO A 37 -10.764 -0.990 -5.470 1.00 8.65 N ATOM 583 CA PRO A 37 -10.353 0.197 -6.191 1.00 9.18 C ATOM 584 C PRO A 37 -9.144 1.033 -5.621 1.00 9.85 C ATOM 585 O PRO A 37 -9.287 1.305 -4.408 1.00 8.51 O ATOM 586 CB PRO A 37 -11.703 0.993 -6.383 1.00 11.42 C ATOM 587 CG PRO A 37 -12.835 -0.029 -6.299 1.00 9.27 C ATOM 588 CD PRO A 37 -12.214 -1.164 -5.452 1.00 8.33 C ATOM 0 HA PRO A 37 -9.878 -0.077 -7.133 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.814 1.757 -5.613 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.716 1.506 -7.345 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.723 0.390 -5.825 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.136 -0.380 -7.286 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.591 -1.128 -4.430 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.487 -2.138 -5.858 1.00 8.33 H new ATOM 596 N PRO A 38 -8.159 1.516 -6.238 1.00 8.71 N ATOM 597 CA PRO A 38 -7.123 2.354 -5.587 1.00 9.08 C ATOM 598 C PRO A 38 -7.459 3.623 -4.930 1.00 9.28 C ATOM 599 O PRO A 38 -6.793 3.910 -3.927 1.00 6.50 O ATOM 600 CB PRO A 38 -6.068 2.560 -6.674 1.00 10.31 C ATOM 601 CG PRO A 38 -6.269 1.388 -7.595 1.00 10.81 C ATOM 602 CD PRO A 38 -7.776 1.100 -7.558 1.00 12.00 C ATOM 0 HA PRO A 38 -6.822 1.803 -4.696 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.210 3.507 -7.195 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.061 2.573 -6.257 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.938 1.621 -8.607 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.695 0.523 -7.263 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.311 1.658 -8.327 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.988 0.044 -7.724 1.00 12.00 H new ATOM 610 N ASP A 39 -8.462 4.340 -5.452 1.00 11.20 N ATOM 611 CA ASP A 39 -9.086 5.469 -4.780 1.00 14.96 C ATOM 612 C ASP A 39 -9.640 5.132 -3.375 1.00 13.99 C ATOM 613 O ASP A 39 -9.713 6.006 -2.514 1.00 13.75 O ATOM 614 CB ASP A 39 -10.173 6.118 -5.594 1.00 24.16 C ATOM 615 CG ASP A 39 -9.653 6.655 -6.993 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.896 7.658 -6.911 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.036 6.089 -8.039 1.00 35.55 O ATOM 0 H ASP A 39 -8.864 4.143 -6.369 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.266 6.177 -4.661 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.975 5.399 -5.761 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.600 6.946 -5.028 1.00 24.16 H new ATOM 622 N GLN A 40 -10.051 3.849 -3.102 1.00 11.60 N ATOM 623 CA GLN A 40 -10.782 3.497 -1.912 1.00 10.76 C ATOM 624 C GLN A 40 -9.856 2.779 -0.923 1.00 8.01 C ATOM 625 O GLN A 40 -10.236 2.338 0.145 1.00 8.96 O ATOM 626 CB GLN A 40 -12.100 2.674 -2.316 1.00 11.14 C ATOM 627 CG GLN A 40 -12.945 3.510 -3.303 1.00 14.85 C ATOM 628 CD GLN A 40 -14.305 2.968 -3.457 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.737 2.268 -4.374 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.075 3.192 -2.315 1.00 18.16 N ATOM 0 H GLN A 40 -9.868 3.059 -3.721 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.133 4.387 -1.389 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.823 1.723 -2.772 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.684 2.442 -1.426 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.002 4.540 -2.950 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.451 3.533 -4.274 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.710 3.773 -1.560 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.002 2.775 -2.235 1.00 18.16 H new ATOM 639 N GLN A 41 -8.541 2.725 -1.304 1.00 6.52 N ATOM 640 CA GLN A 41 -7.461 2.169 -0.540 1.00 3.87 C ATOM 641 C GLN A 41 -6.674 3.346 0.034 1.00 4.79 C ATOM 642 O GLN A 41 -6.348 4.305 -0.670 1.00 6.34 O ATOM 643 CB GLN A 41 -6.390 1.314 -1.282 1.00 4.20 C ATOM 644 CG GLN A 41 -6.909 0.080 -2.076 1.00 3.20 C ATOM 645 CD GLN A 41 -5.875 -0.485 -3.051 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.671 -0.524 -2.668 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.291 -1.065 -4.212 1.00 7.13 N ATOM 0 H GLN A 41 -8.229 3.096 -2.202 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.958 1.496 0.159 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.856 1.964 -1.975 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.664 0.965 -0.547 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.201 -0.700 -1.373 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.805 0.362 -2.629 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.272 -1.011 -4.486 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.621 -1.553 -4.807 1.00 7.13 H new ATOM 656 N ARG A 42 -6.294 3.329 1.317 1.00 5.73 N ATOM 657 CA ARG A 42 -5.323 4.229 1.852 1.00 6.97 C ATOM 658 C ARG A 42 -4.204 3.349 2.449 1.00 7.15 C ATOM 659 O ARG A 42 -4.467 2.285 3.029 1.00 7.33 O ATOM 660 CB ARG A 42 -5.831 5.304 2.749 1.00 13.23 C ATOM 661 CG ARG A 42 -6.830 6.251 2.111 1.00 21.27 C ATOM 662 CD ARG A 42 -7.270 7.298 3.083 1.00 26.14 C ATOM 663 NE ARG A 42 -7.660 8.477 2.293 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.837 9.696 2.796 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.866 9.799 4.150 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.907 10.779 2.050 1.00 36.39 N ATOM 0 H ARG A 42 -6.669 2.674 2.003 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.936 4.855 1.048 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.296 4.841 3.619 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.983 5.885 3.112 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.381 6.725 1.238 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.695 5.690 1.759 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.107 6.941 3.683 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.465 7.546 3.775 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.804 8.351 1.291 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.755 8.966 4.727 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.999 10.710 4.589 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.824 10.706 1.036 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.044 11.691 2.486 1.00 36.39 H new ATOM 680 N LEU A 43 -3.007 3.789 2.387 1.00 4.65 N ATOM 681 CA LEU A 43 -1.892 2.993 2.954 1.00 3.51 C ATOM 682 C LEU A 43 -1.386 3.714 4.255 1.00 5.56 C ATOM 683 O LEU A 43 -1.147 4.933 4.277 1.00 4.19 O ATOM 684 CB LEU A 43 -0.795 2.733 1.873 1.00 3.74 C ATOM 685 CG LEU A 43 -1.246 1.700 0.837 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.161 1.431 -0.262 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.416 0.334 1.439 1.00 6.41 C ATOM 0 H LEU A 43 -2.735 4.677 1.965 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.219 1.996 3.250 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.552 3.669 1.370 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.117 2.386 2.358 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.167 2.128 0.440 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.535 0.691 -0.969 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.060 2.359 -0.790 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.748 1.056 0.208 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.737 -0.366 0.668 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.467 0.001 1.860 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.168 0.375 2.227 1.00 6.41 H new ATOM 699 N ILE A 44 -1.166 2.923 5.332 1.00 4.58 N ATOM 700 CA ILE A 44 -0.760 3.284 6.676 1.00 5.55 C ATOM 701 C ILE A 44 0.499 2.472 6.875 1.00 5.46 C ATOM 702 O ILE A 44 0.488 1.233 6.871 1.00 6.04 O ATOM 703 CB ILE A 44 -1.791 2.937 7.749 1.00 6.80 C ATOM 704 CG1 ILE A 44 -3.214 3.591 7.491 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.224 3.182 9.137 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.360 5.153 7.575 1.00 13.90 C ATOM 0 H ILE A 44 -1.286 1.913 5.253 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.631 4.362 6.775 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.993 1.868 7.684 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.543 3.282 6.499 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.911 3.156 8.207 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.974 2.929 9.886 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.340 2.561 9.284 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.950 4.232 9.238 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.394 5.433 7.373 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.081 5.491 8.573 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.707 5.620 6.837 1.00 13.90 H new ATOM 718 N PHE A 45 1.660 3.168 7.022 1.00 6.75 N ATOM 719 CA PHE A 45 2.921 2.467 7.351 1.00 4.70 C ATOM 720 C PHE A 45 3.815 3.401 8.097 1.00 6.34 C ATOM 721 O PHE A 45 3.879 4.559 7.707 1.00 5.45 O ATOM 722 CB PHE A 45 3.667 1.976 6.081 1.00 5.51 C ATOM 723 CG PHE A 45 5.083 1.439 6.317 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.286 0.199 6.856 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.219 2.235 5.944 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.597 -0.334 7.077 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.495 1.670 6.100 1.00 6.64 C ATOM 728 CZ PHE A 45 7.700 0.407 6.665 1.00 6.84 C ATOM 0 H PHE A 45 1.744 4.179 6.921 1.00 6.75 H new ATOM 0 HA PHE A 45 2.668 1.594 7.953 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.073 1.192 5.612 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.723 2.801 5.371 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.428 -0.399 7.124 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.096 3.235 5.556 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.727 -1.294 7.555 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.354 2.235 5.770 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.699 0.013 6.780 1.00 6.84 H new ATOM 738 N ALA A 46 4.515 2.957 9.186 1.00 6.53 N ATOM 739 CA ALA A 46 5.489 3.710 9.941 1.00 7.15 C ATOM 740 C ALA A 46 4.878 4.982 10.553 1.00 9.00 C ATOM 741 O ALA A 46 5.460 6.049 10.572 1.00 11.15 O ATOM 742 CB ALA A 46 6.783 3.837 9.197 1.00 8.99 C ATOM 0 H ALA A 46 4.387 2.015 9.555 1.00 6.53 H new ATOM 0 HA ALA A 46 5.786 3.152 10.829 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.492 4.409 9.795 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.190 2.845 9.003 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.610 4.349 8.251 1.00 8.99 H new ATOM 748 N GLY A 47 3.671 4.913 11.122 1.00 9.35 N ATOM 749 CA GLY A 47 3.132 6.061 11.814 1.00 11.68 C ATOM 750 C GLY A 47 2.469 7.144 11.087 1.00 11.14 C ATOM 751 O GLY A 47 2.336 8.236 11.534 1.00 13.93 O ATOM 0 H GLY A 47 3.069 4.090 11.113 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.417 5.684 12.545 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.953 6.510 12.373 1.00 11.68 H new ATOM 755 N LYS A 48 2.175 6.863 9.792 1.00 10.47 N ATOM 756 CA LYS A 48 1.885 7.916 8.852 1.00 8.82 C ATOM 757 C LYS A 48 0.986 7.316 7.763 1.00 7.68 C ATOM 758 O LYS A 48 0.807 6.101 7.611 1.00 6.47 O ATOM 759 CB LYS A 48 3.062 8.573 8.218 1.00 9.74 C ATOM 760 CG LYS A 48 4.079 7.568 7.648 1.00 14.14 C ATOM 761 CD LYS A 48 5.387 8.278 7.162 1.00 16.32 C ATOM 762 CE LYS A 48 6.198 8.800 8.394 1.00 20.04 C ATOM 763 NZ LYS A 48 7.412 9.592 7.945 1.00 23.92 N ATOM 0 H LYS A 48 2.139 5.921 9.402 1.00 10.47 H new ATOM 0 HA LYS A 48 1.409 8.716 9.419 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.718 9.227 7.417 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.558 9.205 8.954 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.328 6.830 8.411 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.628 7.027 6.816 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.995 7.583 6.583 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.137 9.108 6.502 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.559 9.427 9.016 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.515 7.958 9.009 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.935 9.928 8.779 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.030 8.984 7.371 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.104 10.407 7.377 1.00 23.92 H new ATOM 777 N GLN A 49 0.354 8.199 6.995 1.00 8.89 N ATOM 778 CA GLN A 49 -0.476 7.833 5.862 1.00 7.18 C ATOM 779 C GLN A 49 0.297 8.106 4.623 1.00 8.23 C ATOM 780 O GLN A 49 0.793 9.191 4.353 1.00 9.70 O ATOM 781 CB GLN A 49 -1.835 8.638 5.837 1.00 11.67 C ATOM 782 CG GLN A 49 -2.791 8.144 4.766 1.00 15.82 C ATOM 783 CD GLN A 49 -4.054 9.020 4.577 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.521 9.351 3.520 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.728 9.300 5.792 1.00 20.67 N ATOM 0 H GLN A 49 0.408 9.206 7.149 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.735 6.777 5.939 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.317 8.560 6.812 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.624 9.694 5.670 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.257 8.090 3.817 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.102 7.129 5.015 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.318 9.012 6.681 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.623 9.789 5.778 1.00 20.67 H new ATOM 794 N LEU A 50 0.399 7.084 3.745 1.00 6.51 N ATOM 795 CA LEU A 50 1.233 7.175 2.556 1.00 7.41 C ATOM 796 C LEU A 50 0.727 8.030 1.429 1.00 8.27 C ATOM 797 O LEU A 50 -0.380 7.852 0.863 1.00 8.34 O ATOM 798 CB LEU A 50 1.801 5.819 2.073 1.00 7.13 C ATOM 799 CG LEU A 50 2.371 4.875 3.182 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.909 3.554 2.580 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.467 5.524 4.042 1.00 9.11 C ATOM 0 H LEU A 50 -0.090 6.195 3.849 1.00 6.51 H new ATOM 0 HA LEU A 50 2.077 7.750 2.937 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.012 5.287 1.542 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.593 6.017 1.351 1.00 7.13 H new ATOM 0 HG LEU A 50 1.525 4.665 3.836 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.297 2.922 3.379 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.102 3.033 2.065 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.707 3.775 1.872 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.814 4.810 4.789 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.302 5.818 3.406 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.064 6.405 4.542 1.00 9.11 H new ATOM 813 N GLU A 51 1.745 8.797 0.895 1.00 9.43 N ATOM 814 CA GLU A 51 1.638 9.785 -0.195 1.00 11.90 C ATOM 815 C GLU A 51 1.969 9.181 -1.581 1.00 11.49 C ATOM 816 O GLU A 51 2.964 8.477 -1.801 1.00 9.88 O ATOM 817 CB GLU A 51 2.487 11.061 0.007 1.00 16.56 C ATOM 818 CG GLU A 51 2.263 11.693 1.454 1.00 26.06 C ATOM 819 CD GLU A 51 3.214 12.847 1.593 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.376 12.646 2.027 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.821 14.007 1.395 1.00 33.44 O ATOM 0 H GLU A 51 2.700 8.723 1.246 1.00 9.43 H new ATOM 0 HA GLU A 51 0.589 10.080 -0.163 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.542 10.822 -0.127 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.228 11.796 -0.755 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.233 12.029 1.571 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.446 10.950 2.230 1.00 26.06 H new ATOM 828 N ASP A 52 1.033 9.390 -2.608 1.00 12.71 N ATOM 829 CA ASP A 52 0.965 8.536 -3.792 1.00 16.56 C ATOM 830 C ASP A 52 2.157 8.427 -4.730 1.00 15.83 C ATOM 831 O ASP A 52 2.551 7.346 -5.107 1.00 17.21 O ATOM 832 CB ASP A 52 -0.294 8.905 -4.604 1.00 21.05 C ATOM 833 CG ASP A 52 -1.485 9.068 -3.729 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.965 8.061 -3.108 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.028 10.209 -3.584 1.00 28.37 O ATOM 0 H ASP A 52 0.345 10.143 -2.599 1.00 12.71 H new ATOM 0 HA ASP A 52 0.946 7.539 -3.351 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.115 9.830 -5.152 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.490 8.129 -5.344 1.00 21.05 H new ATOM 840 N GLY A 53 2.786 9.587 -5.090 1.00 15.00 N ATOM 841 CA GLY A 53 3.867 9.592 -6.031 1.00 11.77 C ATOM 842 C GLY A 53 5.194 9.240 -5.395 1.00 11.10 C ATOM 843 O GLY A 53 6.227 9.210 -6.088 1.00 11.25 O ATOM 0 H GLY A 53 2.539 10.507 -4.726 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.652 8.882 -6.830 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.939 10.578 -6.491 1.00 11.77 H new ATOM 847 N ARG A 54 5.247 8.973 -4.110 1.00 8.53 N ATOM 848 CA ARG A 54 6.416 8.583 -3.400 1.00 9.05 C ATOM 849 C ARG A 54 6.774 7.108 -3.692 1.00 8.96 C ATOM 850 O ARG A 54 5.886 6.298 -3.768 1.00 11.60 O ATOM 851 CB ARG A 54 6.512 8.865 -1.906 1.00 7.97 C ATOM 852 CG ARG A 54 6.253 10.351 -1.563 1.00 9.62 C ATOM 853 CD ARG A 54 7.211 11.297 -2.232 1.00 12.20 C ATOM 854 NE ARG A 54 6.783 12.652 -1.867 1.00 18.23 N ATOM 855 CZ ARG A 54 6.845 13.700 -2.710 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.186 13.645 -4.006 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.577 14.891 -2.287 1.00 23.38 N ATOM 0 H ARG A 54 4.423 9.029 -3.511 1.00 8.53 H new ATOM 0 HA ARG A 54 7.153 9.275 -3.809 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.791 8.243 -1.376 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.502 8.581 -1.549 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.235 10.611 -1.854 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.319 10.483 -0.483 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.233 11.111 -1.902 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.196 11.164 -3.314 1.00 12.20 H new ATOM 0 HE ARG A 54 6.420 12.808 -0.927 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.427 12.750 -4.432 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.204 14.498 -4.565 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.318 15.039 -1.312 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.625 15.683 -2.928 1.00 23.38 H new ATOM 871 N THR A 55 8.010 6.774 -4.002 1.00 9.05 N ATOM 872 CA THR A 55 8.406 5.351 -4.170 1.00 9.03 C ATOM 873 C THR A 55 8.576 4.556 -2.859 1.00 8.15 C ATOM 874 O THR A 55 8.799 5.030 -1.733 1.00 5.91 O ATOM 875 CB THR A 55 9.673 5.116 -4.988 1.00 11.15 C ATOM 876 OG1 THR A 55 10.848 5.515 -4.335 1.00 11.95 O ATOM 877 CG2 THR A 55 9.663 5.934 -6.357 1.00 11.71 C ATOM 0 H THR A 55 8.765 7.444 -4.146 1.00 9.05 H new ATOM 0 HA THR A 55 7.540 4.981 -4.719 1.00 9.03 H new ATOM 0 HB THR A 55 9.671 4.038 -5.150 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.025 6.459 -4.528 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.584 5.736 -6.906 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.808 5.625 -6.959 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.590 7.000 -6.143 1.00 11.71 H new ATOM 885 N LEU A 56 8.683 3.261 -3.032 1.00 6.91 N ATOM 886 CA LEU A 56 9.127 2.336 -1.993 1.00 8.29 C ATOM 887 C LEU A 56 10.566 2.642 -1.482 1.00 8.05 C ATOM 888 O LEU A 56 10.882 2.566 -0.241 1.00 10.17 O ATOM 889 CB LEU A 56 9.034 0.817 -2.307 1.00 6.60 C ATOM 890 CG LEU A 56 7.600 0.356 -2.581 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.500 -0.804 -3.559 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.726 -0.095 -1.382 1.00 8.64 C ATOM 0 H LEU A 56 8.461 2.801 -3.915 1.00 6.91 H new ATOM 0 HA LEU A 56 8.386 2.531 -1.218 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.656 0.591 -3.173 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.439 0.251 -1.468 1.00 6.60 H new ATOM 0 HG LEU A 56 7.215 1.299 -2.968 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.453 -1.072 -3.700 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.932 -0.511 -4.516 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.043 -1.662 -3.163 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.740 -0.391 -1.741 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.200 -0.941 -0.884 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.623 0.729 -0.676 1.00 8.64 H new ATOM 904 N SER A 57 11.526 2.933 -2.416 1.00 8.92 N ATOM 905 CA SER A 57 12.881 3.378 -2.012 1.00 9.00 C ATOM 906 C SER A 57 12.844 4.644 -1.181 1.00 9.44 C ATOM 907 O SER A 57 13.545 4.737 -0.176 1.00 10.91 O ATOM 908 CB SER A 57 13.787 3.566 -3.247 1.00 10.32 C ATOM 909 OG SER A 57 15.158 3.794 -2.893 1.00 13.59 O ATOM 0 H SER A 57 11.383 2.867 -3.424 1.00 8.92 H new ATOM 0 HA SER A 57 13.301 2.592 -1.385 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.721 2.681 -3.880 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.423 4.407 -3.836 1.00 10.32 H new ATOM 0 HG SER A 57 15.692 3.905 -3.707 1.00 13.59 H new ATOM 915 N ASP A 58 11.961 5.563 -1.557 1.00 9.11 N ATOM 916 CA ASP A 58 11.785 6.872 -0.911 1.00 7.91 C ATOM 917 C ASP A 58 11.357 6.679 0.545 1.00 9.12 C ATOM 918 O ASP A 58 11.852 7.261 1.537 1.00 8.61 O ATOM 919 CB ASP A 58 10.817 7.820 -1.664 1.00 8.41 C ATOM 920 CG ASP A 58 11.357 8.289 -3.008 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.440 8.879 -3.116 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.724 8.022 -4.017 1.00 11.70 O ATOM 0 H ASP A 58 11.326 5.420 -2.342 1.00 9.11 H new ATOM 0 HA ASP A 58 12.753 7.372 -0.944 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.867 7.309 -1.820 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.612 8.689 -1.039 1.00 8.41 H new ATOM 927 N TYR A 59 10.386 5.767 0.730 1.00 7.97 N ATOM 928 CA TYR A 59 9.821 5.506 2.060 1.00 8.45 C ATOM 929 C TYR A 59 10.540 4.475 2.819 1.00 10.98 C ATOM 930 O TYR A 59 10.191 4.253 3.951 1.00 12.95 O ATOM 931 CB TYR A 59 8.351 4.946 2.042 1.00 7.94 C ATOM 932 CG TYR A 59 7.283 6.063 2.064 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.203 6.761 3.259 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.414 6.304 0.971 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.258 7.782 3.332 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.443 7.286 1.102 1.00 6.52 C ATOM 937 CZ TYR A 59 5.422 8.116 2.242 1.00 6.76 C ATOM 938 OH TYR A 59 4.613 9.255 2.298 1.00 7.63 O ATOM 0 H TYR A 59 9.981 5.205 -0.019 1.00 7.97 H new ATOM 0 HA TYR A 59 9.888 6.496 2.510 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.211 4.334 1.151 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.205 4.294 2.903 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.844 6.524 4.095 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.506 5.736 0.057 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.161 8.338 4.253 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.701 7.415 0.328 1.00 6.52 H new ATOM 0 HH TYR A 59 4.741 9.787 1.485 1.00 7.63 H new ATOM 948 N ASN A 60 11.630 3.903 2.370 1.00 12.38 N ATOM 949 CA ASN A 60 12.410 2.840 2.942 1.00 13.94 C ATOM 950 C ASN A 60 11.683 1.538 3.154 1.00 14.16 C ATOM 951 O ASN A 60 11.796 0.851 4.172 1.00 14.26 O ATOM 952 CB ASN A 60 13.224 3.253 4.190 1.00 19.23 C ATOM 953 CG ASN A 60 14.043 4.521 3.896 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.911 5.504 4.613 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.961 4.537 2.895 1.00 24.09 N ATOM 0 H ASN A 60 12.038 4.212 1.488 1.00 12.38 H new ATOM 0 HA ASN A 60 13.129 2.635 2.149 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.551 3.432 5.029 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.890 2.441 4.484 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.536 5.366 2.744 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.075 3.720 2.295 1.00 24.09 H new ATOM 962 N ILE A 61 10.892 1.087 2.144 1.00 11.08 N ATOM 963 CA ILE A 61 10.185 -0.141 2.223 1.00 11.78 C ATOM 964 C ILE A 61 10.888 -1.239 1.484 1.00 13.74 C ATOM 965 O ILE A 61 11.006 -1.203 0.271 1.00 14.60 O ATOM 966 CB ILE A 61 8.712 0.003 1.837 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.009 0.971 2.785 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.957 -1.396 1.811 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.683 1.569 2.207 1.00 11.42 C ATOM 0 H ILE A 61 10.752 1.592 1.269 1.00 11.08 H new ATOM 0 HA ILE A 61 10.179 -0.438 3.272 1.00 11.78 H new ATOM 0 HB ILE A 61 8.679 0.405 0.824 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.787 0.454 3.719 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.690 1.787 3.027 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.915 -1.242 1.532 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.434 -2.053 1.084 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.004 -1.853 2.799 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.241 2.247 2.937 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.900 2.115 1.289 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.983 0.762 1.992 1.00 11.42 H new ATOM 981 N GLN A 62 11.484 -2.189 2.198 1.00 13.97 N ATOM 982 CA GLN A 62 12.433 -3.183 1.663 1.00 15.52 C ATOM 983 C GLN A 62 11.892 -4.627 1.820 1.00 13.94 C ATOM 984 O GLN A 62 10.871 -4.839 2.460 1.00 12.15 O ATOM 985 CB GLN A 62 13.767 -3.142 2.453 1.00 19.53 C ATOM 986 CG GLN A 62 14.494 -1.775 2.414 1.00 26.38 C ATOM 987 CD GLN A 62 15.837 -1.875 3.096 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.809 -2.399 2.511 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.863 -1.626 4.404 1.00 32.71 N ATOM 0 H GLN A 62 11.320 -2.299 3.199 1.00 13.97 H new ATOM 0 HA GLN A 62 12.576 -2.933 0.612 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.568 -3.404 3.492 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.435 -3.906 2.054 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.627 -1.456 1.380 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.884 -1.017 2.906 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.056 -1.197 4.858 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.690 -1.864 4.952 1.00 32.71 H new ATOM 998 N LYS A 63 12.539 -5.599 1.109 1.00 11.73 N ATOM 999 CA LYS A 63 12.053 -6.989 1.008 1.00 11.97 C ATOM 1000 C LYS A 63 11.666 -7.595 2.425 1.00 10.41 C ATOM 1001 O LYS A 63 12.393 -7.454 3.410 1.00 9.59 O ATOM 1002 CB LYS A 63 13.072 -7.878 0.250 1.00 13.73 C ATOM 1003 CG LYS A 63 14.412 -8.208 1.027 1.00 16.98 C ATOM 1004 CD LYS A 63 15.120 -9.307 0.283 1.00 20.19 C ATOM 1005 CE LYS A 63 16.609 -9.413 0.718 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.281 -10.574 0.112 1.00 25.97 N ATOM 0 H LYS A 63 13.405 -5.431 0.597 1.00 11.73 H new ATOM 0 HA LYS A 63 11.133 -6.973 0.424 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.584 -8.818 -0.009 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.330 -7.384 -0.687 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.044 -7.322 1.091 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.194 -8.518 2.049 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.617 -10.256 0.466 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.064 -9.118 -0.789 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.135 -8.501 0.434 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.665 -9.488 1.804 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.271 -10.606 0.429 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.796 -11.447 0.403 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.252 -10.490 -0.924 1.00 25.97 H new ATOM 1020 N GLU A 64 10.474 -8.221 2.508 1.00 10.04 N ATOM 1021 CA GLU A 64 9.952 -8.859 3.708 1.00 10.94 C ATOM 1022 C GLU A 64 9.472 -7.935 4.765 1.00 9.74 C ATOM 1023 O GLU A 64 9.256 -8.319 5.929 1.00 9.42 O ATOM 1024 CB GLU A 64 10.966 -9.876 4.309 1.00 18.31 C ATOM 1025 CG GLU A 64 11.681 -10.865 3.296 1.00 24.16 C ATOM 1026 CD GLU A 64 12.523 -11.829 4.062 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.955 -12.877 4.509 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.710 -11.557 4.302 1.00 32.61 O ATOM 0 H GLU A 64 9.839 -8.292 1.713 1.00 10.04 H new ATOM 0 HA GLU A 64 9.066 -9.386 3.354 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.738 -9.314 4.835 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.443 -10.475 5.055 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.937 -11.402 2.707 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.298 -10.303 2.595 1.00 24.16 H new ATOM 1035 N SER A 65 9.195 -6.684 4.339 1.00 6.85 N ATOM 1036 CA SER A 65 8.467 -5.631 5.013 1.00 6.90 C ATOM 1037 C SER A 65 6.958 -5.813 4.988 1.00 4.72 C ATOM 1038 O SER A 65 6.453 -6.421 4.045 1.00 3.91 O ATOM 1039 CB SER A 65 8.782 -4.222 4.555 1.00 7.28 C ATOM 1040 OG SER A 65 8.404 -3.255 5.576 1.00 10.56 O ATOM 0 H SER A 65 9.515 -6.374 3.422 1.00 6.85 H new ATOM 0 HA SER A 65 8.833 -5.739 6.034 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.847 -4.133 4.339 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.250 -4.007 3.628 1.00 7.28 H new ATOM 0 HG SER A 65 8.616 -2.350 5.264 1.00 10.56 H new ATOM 1046 N THR A 66 6.257 -5.231 5.978 1.00 4.48 N ATOM 1047 CA THR A 66 4.807 -5.378 6.246 1.00 3.80 C ATOM 1048 C THR A 66 4.195 -3.991 6.237 1.00 4.60 C ATOM 1049 O THR A 66 4.617 -3.098 6.988 1.00 5.33 O ATOM 1050 CB THR A 66 4.534 -5.998 7.567 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.979 -7.353 7.413 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.043 -5.913 7.995 1.00 3.40 C ATOM 0 H THR A 66 6.707 -4.611 6.651 1.00 4.48 H new ATOM 0 HA THR A 66 4.381 -6.027 5.481 1.00 3.80 H new ATOM 0 HB THR A 66 5.052 -5.473 8.370 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.836 -7.842 8.250 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.917 -6.385 8.969 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.741 -4.867 8.057 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.424 -6.426 7.260 1.00 3.40 H new ATOM 1060 N LEU A 67 3.106 -3.767 5.457 1.00 4.17 N ATOM 1061 CA LEU A 67 2.438 -2.464 5.206 1.00 3.85 C ATOM 1062 C LEU A 67 1.032 -2.541 5.763 1.00 3.80 C ATOM 1063 O LEU A 67 0.349 -3.586 5.696 1.00 5.54 O ATOM 1064 CB LEU A 67 2.442 -2.180 3.634 1.00 7.18 C ATOM 1065 CG LEU A 67 3.783 -1.862 3.017 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.546 -1.388 1.561 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.648 -0.814 3.813 1.00 11.66 C ATOM 0 H LEU A 67 2.647 -4.530 4.961 1.00 4.17 H new ATOM 0 HA LEU A 67 2.960 -1.642 5.696 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.030 -3.053 3.127 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.767 -1.348 3.435 1.00 7.18 H new ATOM 0 HG LEU A 67 4.374 -2.777 3.048 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.503 -1.152 1.095 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.052 -2.179 0.997 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.916 -0.499 1.566 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.592 -0.651 3.293 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.105 0.128 3.883 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.847 -1.193 4.815 1.00 11.66 H new ATOM 1079 N HIS A 68 0.486 -1.522 6.446 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.950 -1.534 6.812 1.00 4.17 C ATOM 1081 C HIS A 68 -1.804 -0.910 5.691 1.00 5.32 C ATOM 1082 O HIS A 68 -1.496 0.125 5.067 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.351 -1.090 8.238 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.073 -2.062 9.315 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.161 -2.406 9.750 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.980 -2.800 10.015 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.014 -3.263 10.787 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.251 -3.538 10.976 1.00 16.30 N ATOM 0 H HIS A 68 0.998 -0.695 6.753 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.186 -2.595 6.891 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.830 -0.161 8.469 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.418 -0.867 8.242 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.049 -2.818 9.865 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.826 -3.663 11.375 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.638 -4.165 11.682 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.048 -1.454 5.505 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.010 -1.018 4.510 1.00 3.97 C ATOM 1098 C LEU A 69 -5.300 -0.666 5.299 1.00 5.07 C ATOM 1099 O LEU A 69 -5.856 -1.501 6.070 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.343 -2.202 3.502 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.421 -2.020 2.418 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.252 -0.754 1.569 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.594 -3.224 1.460 1.00 9.96 C ATOM 0 H LEU A 69 -3.392 -2.228 6.073 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.622 -0.177 3.935 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.415 -2.463 2.993 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.631 -3.065 4.102 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.323 -1.929 3.023 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.052 -0.702 0.830 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.295 0.124 2.213 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.289 -0.783 1.060 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.375 -3.001 0.733 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.655 -3.412 0.939 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.874 -4.108 2.033 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.760 0.617 5.089 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.075 1.038 5.553 1.00 6.26 C ATOM 1117 C VAL A 70 -7.898 1.379 4.377 1.00 9.22 C ATOM 1118 O VAL A 70 -7.399 1.838 3.353 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.022 2.285 6.499 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.368 1.861 7.862 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.335 3.476 5.878 1.00 8.54 C ATOM 0 H VAL A 70 -5.229 1.343 4.608 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.499 0.212 6.125 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.043 2.622 6.679 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.326 2.722 8.529 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.965 1.074 8.323 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.358 1.492 7.682 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.333 4.305 6.586 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.308 3.212 5.625 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.867 3.772 4.974 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.194 1.050 4.449 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.174 1.104 3.368 1.00 16.06 C ATOM 1133 C LEU A 71 -11.296 2.107 3.591 1.00 18.09 C ATOM 1134 O LEU A 71 -11.690 2.384 4.727 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.852 -0.258 3.152 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.880 -1.391 2.770 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.722 -2.615 2.464 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.980 -1.045 1.481 1.00 19.57 C ATOM 0 H LEU A 71 -9.607 0.719 5.321 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.586 1.410 2.503 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.379 -0.538 4.064 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.603 -0.158 2.368 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.191 -1.549 3.600 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.071 -3.445 2.188 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.302 -2.887 3.346 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.399 -2.394 1.638 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.317 -1.883 1.264 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.628 -0.863 0.623 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.385 -0.154 1.681 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.720 2.720 2.465 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.786 3.631 2.299 1.00 25.83 C ATOM 1152 C ARG A 72 -13.812 2.929 1.476 1.00 27.74 C ATOM 1153 O ARG A 72 -14.756 3.473 0.874 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.406 5.000 1.602 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.159 5.677 2.178 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.859 6.989 1.462 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.945 7.947 1.831 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.934 9.186 1.318 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.008 9.624 0.476 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.871 10.049 1.652 1.00 35.02 N ATOM 0 H ARG A 72 -11.249 2.545 1.577 1.00 21.47 H new ATOM 0 HA ARG A 72 -13.134 3.916 3.292 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.249 4.821 0.538 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -13.250 5.685 1.689 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.304 5.866 3.242 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.304 5.007 2.087 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.885 7.377 1.760 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.826 6.840 0.383 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.689 7.661 2.468 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.250 9.006 0.185 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.053 10.579 0.119 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.608 9.776 2.302 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.860 10.991 1.260 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.662 1.595 1.443 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.418 0.644 0.656 1.00 30.76 C ATOM 1176 C LEU A 73 -15.936 0.531 0.969 1.00 32.18 C ATOM 1177 O LEU A 73 -16.814 0.352 0.052 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.769 -0.764 0.731 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.349 -1.828 -0.238 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.208 -1.315 -1.655 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -13.488 -3.071 -0.044 1.00 29.11 C ATOM 0 H LEU A 73 -12.953 1.133 2.013 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.372 1.054 -0.353 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -12.702 -0.662 0.532 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -13.869 -1.136 1.751 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.401 -2.041 -0.050 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.611 -2.051 -2.350 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.757 -0.379 -1.759 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -13.155 -1.145 -1.877 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -13.843 -3.866 -0.700 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -12.451 -2.837 -0.286 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -13.553 -3.401 0.993 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.329 0.730 2.194 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.695 0.776 2.673 1.00 35.33 C ATOM 1195 C ARG A 74 -18.023 2.221 3.083 1.00 36.22 C ATOM 1196 O ARG A 74 -18.709 2.514 4.052 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.023 -0.229 3.795 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.395 -1.632 3.633 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.858 -2.425 2.398 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.984 -3.632 2.331 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.801 -4.274 1.176 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.549 -4.057 0.115 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.897 -5.209 1.055 1.00 41.93 N ATOM 0 H ARG A 74 -15.657 0.876 2.947 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.336 0.459 1.850 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.691 0.191 4.744 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.106 -0.339 3.856 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.311 -1.523 3.588 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.620 -2.217 4.525 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.907 -2.708 2.487 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.765 -1.826 1.492 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.522 -3.969 3.176 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.305 -3.374 0.155 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.372 -4.572 -0.748 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.314 -5.461 1.853 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.774 -5.687 0.162 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.379 3.162 2.374 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.386 4.618 2.528 1.00 36.07 C ATOM 1219 C GLY A 75 -16.462 5.038 3.670 1.00 36.16 C ATOM 1220 O GLY A 75 -15.854 4.232 4.323 1.00 36.26 O ATOM 0 H GLY A 75 -16.778 2.887 1.597 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.064 5.090 1.599 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.400 4.964 2.727 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.402 6.361 3.844 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.432 7.104 4.659 1.00 36.19 C ATOM 1226 C GLY A 76 -14.575 8.139 3.882 1.00 36.20 C ATOM 1227 O GLY A 76 -13.344 8.219 4.059 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.090 8.818 2.946 1.00 0.00 O ATOM 0 H GLY A 76 -17.072 6.983 3.391 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.970 7.623 5.452 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.764 6.390 5.141 1.00 36.19 H new TER 1232 GLY A 76