USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 168:sc= 1.23 USER MOD Set 1.2: A 25 ASN :FLIP amide:sc= 0.00778 F(o=0.7,f=1.2) USER MOD Set 2.1: A 7 THR OG1 : rot 115:sc= 1.62 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.22 (180deg=1.1) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00957 USER MOD Single : A 14 THR OG1 : rot -80:sc= 0.555 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 140:sc= 0.97 (180deg=0.0655) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.14) USER MOD Single : A 31 GLN : amide:sc= -0.851 X(o=-0.85,f=-0.42) USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= 1.19 (180deg=0.355) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 41 ASN : amide:sc= 0.859 K(o=0.86,f=-0.85) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.599 F(o=-1.1!,f=-0.6) USER MOD Single : A 55 THR OG1 : rot -66:sc= 1.36 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.35) USER MOD Single : A 62 GLN : amide:sc= -1.39! C(o=-1.4!,f=-1.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -88:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0791 K(o=-0.079,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.540 -2.082 3.826 1.00 0.00 N ATOM 2 CA MET A 1 -13.143 -2.499 2.471 1.00 0.00 C ATOM 3 C MET A 1 -11.927 -3.406 2.556 1.00 0.00 C ATOM 4 O MET A 1 -11.341 -3.590 3.620 1.00 0.00 O ATOM 5 CB MET A 1 -12.796 -1.310 1.556 1.00 0.00 C ATOM 6 CG MET A 1 -13.975 -0.375 1.350 1.00 0.00 C ATOM 7 SD MET A 1 -13.682 0.984 0.192 1.00 0.00 S ATOM 8 CE MET A 1 -15.361 1.645 0.067 1.00 0.00 C ATOM 0 H1 MET A 1 -14.486 -1.650 3.793 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.560 -2.912 4.453 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.856 -1.389 4.190 1.00 0.00 H new ATOM 0 HA MET A 1 -13.999 -3.018 2.039 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.965 -0.753 1.988 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.460 -1.685 0.589 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.824 -0.959 0.994 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.259 0.045 2.315 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.367 2.497 -0.613 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.029 0.872 -0.313 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.700 1.965 1.052 1.00 0.00 H new ATOM 18 N GLN A 2 -11.524 -3.999 1.438 1.00 0.00 N ATOM 19 CA GLN A 2 -10.360 -4.860 1.357 1.00 0.00 C ATOM 20 C GLN A 2 -9.739 -4.629 -0.016 1.00 0.00 C ATOM 21 O GLN A 2 -10.443 -4.218 -0.942 1.00 0.00 O ATOM 22 CB GLN A 2 -10.743 -6.334 1.583 1.00 0.00 C ATOM 23 CG GLN A 2 -11.657 -6.846 0.467 1.00 0.00 C ATOM 24 CD GLN A 2 -12.082 -8.295 0.627 1.00 0.00 C ATOM 25 OE1 GLN A 2 -13.193 -8.569 1.078 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.247 -9.241 0.221 1.00 0.00 N ATOM 0 H GLN A 2 -12.010 -3.890 0.548 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.639 -4.622 2.139 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.841 -6.944 1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.245 -6.439 2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.548 -6.220 0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.144 -6.733 -0.488 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.331 -8.988 -0.149 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.521 -10.222 0.279 1.00 0.00 H new ATOM 35 N ILE A 3 -8.442 -4.873 -0.150 1.00 0.00 N ATOM 36 CA ILE A 3 -7.700 -4.723 -1.398 1.00 0.00 C ATOM 37 C ILE A 3 -6.628 -5.807 -1.441 1.00 0.00 C ATOM 38 O ILE A 3 -6.376 -6.478 -0.434 1.00 0.00 O ATOM 39 CB ILE A 3 -7.103 -3.301 -1.580 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.803 -3.023 -0.794 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.127 -2.180 -1.327 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.916 -3.165 0.721 1.00 0.00 C ATOM 0 H ILE A 3 -7.860 -5.189 0.626 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.385 -4.844 -2.237 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.826 -3.291 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.030 -3.704 -1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.468 -2.012 -1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.649 -1.211 -1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.957 -2.281 -2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.501 -2.253 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.951 -2.949 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.661 -2.464 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.217 -4.183 0.970 1.00 0.00 H new ATOM 54 N PHE A 4 -6.008 -5.995 -2.599 1.00 0.00 N ATOM 55 CA PHE A 4 -4.949 -6.964 -2.822 1.00 0.00 C ATOM 56 C PHE A 4 -3.653 -6.178 -2.994 1.00 0.00 C ATOM 57 O PHE A 4 -3.681 -5.041 -3.462 1.00 0.00 O ATOM 58 CB PHE A 4 -5.278 -7.813 -4.056 1.00 0.00 C ATOM 59 CG PHE A 4 -6.606 -8.533 -3.934 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.718 -9.664 -3.104 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.748 -8.028 -4.585 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.960 -10.308 -2.951 1.00 0.00 C ATOM 63 CE2 PHE A 4 -8.995 -8.645 -4.396 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.099 -9.794 -3.596 1.00 0.00 C ATOM 0 H PHE A 4 -6.238 -5.458 -3.435 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.846 -7.654 -1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.296 -7.173 -4.938 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.485 -8.545 -4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.849 -10.039 -2.583 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.665 -7.166 -5.230 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.038 -11.195 -2.340 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.876 -8.235 -4.867 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.054 -10.283 -3.476 1.00 0.00 H new ATOM 74 N VAL A 5 -2.513 -6.770 -2.659 1.00 0.00 N ATOM 75 CA VAL A 5 -1.200 -6.149 -2.758 1.00 0.00 C ATOM 76 C VAL A 5 -0.235 -7.188 -3.324 1.00 0.00 C ATOM 77 O VAL A 5 -0.106 -8.273 -2.755 1.00 0.00 O ATOM 78 CB VAL A 5 -0.739 -5.635 -1.375 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.518 -4.769 -1.533 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.802 -4.807 -0.633 1.00 0.00 C ATOM 0 H VAL A 5 -2.477 -7.724 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.232 -5.283 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.542 -6.526 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.838 -4.410 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.315 -5.363 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.295 -3.918 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.404 -4.482 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.065 -3.934 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.691 -5.417 -0.471 1.00 0.00 H new ATOM 90 N LYS A 6 0.403 -6.885 -4.457 1.00 0.00 N ATOM 91 CA LYS A 6 1.364 -7.762 -5.109 1.00 0.00 C ATOM 92 C LYS A 6 2.759 -7.415 -4.591 1.00 0.00 C ATOM 93 O LYS A 6 3.131 -6.240 -4.581 1.00 0.00 O ATOM 94 CB LYS A 6 1.270 -7.615 -6.643 1.00 0.00 C ATOM 95 CG LYS A 6 1.976 -8.764 -7.391 1.00 0.00 C ATOM 96 CD LYS A 6 1.187 -10.083 -7.317 1.00 0.00 C ATOM 97 CE LYS A 6 0.261 -10.304 -8.516 1.00 0.00 C ATOM 98 NZ LYS A 6 0.933 -10.994 -9.638 1.00 0.00 N ATOM 0 H LYS A 6 0.260 -6.005 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 6 1.148 -8.805 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.221 -7.584 -6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.713 -6.665 -6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.113 -8.484 -8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.969 -8.913 -6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.889 -10.915 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.594 -10.093 -6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.602 -10.890 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.116 -9.341 -8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.261 -11.118 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.741 -10.425 -9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.270 -11.925 -9.321 1.00 0.00 H new ATOM 112 N THR A 7 3.497 -8.409 -4.111 1.00 0.00 N ATOM 113 CA THR A 7 4.847 -8.245 -3.593 1.00 0.00 C ATOM 114 C THR A 7 5.856 -8.408 -4.737 1.00 0.00 C ATOM 115 O THR A 7 5.556 -9.025 -5.762 1.00 0.00 O ATOM 116 CB THR A 7 5.103 -9.308 -2.505 1.00 0.00 C ATOM 117 OG1 THR A 7 5.014 -10.606 -3.052 1.00 0.00 O ATOM 118 CG2 THR A 7 4.120 -9.235 -1.330 1.00 0.00 C ATOM 0 H THR A 7 3.165 -9.372 -4.071 1.00 0.00 H new ATOM 0 HA THR A 7 4.961 -7.251 -3.159 1.00 0.00 H new ATOM 0 HB THR A 7 6.104 -9.097 -2.129 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.890 -11.043 -3.003 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.361 -10.012 -0.605 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.195 -8.258 -0.853 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.104 -9.383 -1.696 1.00 0.00 H new ATOM 126 N LEU A 8 7.088 -7.933 -4.529 1.00 0.00 N ATOM 127 CA LEU A 8 8.183 -8.029 -5.495 1.00 0.00 C ATOM 128 C LEU A 8 8.550 -9.487 -5.760 1.00 0.00 C ATOM 129 O LEU A 8 9.061 -9.814 -6.831 1.00 0.00 O ATOM 130 CB LEU A 8 9.432 -7.305 -4.970 1.00 0.00 C ATOM 131 CG LEU A 8 9.338 -5.775 -5.007 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.600 -5.178 -4.382 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.183 -5.267 -6.446 1.00 0.00 C ATOM 0 H LEU A 8 7.356 -7.461 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 8 7.842 -7.562 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.616 -7.621 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.294 -7.619 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 8 8.459 -5.466 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.538 -4.090 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.688 -5.514 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.474 -5.504 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.119 -4.179 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.045 -5.578 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.275 -5.683 -6.883 1.00 0.00 H new ATOM 145 N THR A 9 8.304 -10.359 -4.783 1.00 0.00 N ATOM 146 CA THR A 9 8.566 -11.786 -4.861 1.00 0.00 C ATOM 147 C THR A 9 7.563 -12.483 -5.794 1.00 0.00 C ATOM 148 O THR A 9 7.744 -13.661 -6.102 1.00 0.00 O ATOM 149 CB THR A 9 8.544 -12.358 -3.432 1.00 0.00 C ATOM 150 OG1 THR A 9 7.442 -11.820 -2.710 1.00 0.00 O ATOM 151 CG2 THR A 9 9.844 -11.973 -2.716 1.00 0.00 C ATOM 0 H THR A 9 7.904 -10.077 -3.888 1.00 0.00 H new ATOM 0 HA THR A 9 9.549 -11.968 -5.296 1.00 0.00 H new ATOM 0 HB THR A 9 8.449 -13.443 -3.482 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.434 -12.190 -1.802 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.834 -12.375 -1.703 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.695 -12.382 -3.261 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.929 -10.887 -2.674 1.00 0.00 H new ATOM 159 N GLY A 10 6.524 -11.764 -6.241 1.00 0.00 N ATOM 160 CA GLY A 10 5.489 -12.237 -7.136 1.00 0.00 C ATOM 161 C GLY A 10 4.369 -12.926 -6.379 1.00 0.00 C ATOM 162 O GLY A 10 3.816 -13.904 -6.884 1.00 0.00 O ATOM 0 H GLY A 10 6.387 -10.791 -5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.084 -11.398 -7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.920 -12.930 -7.859 1.00 0.00 H new ATOM 166 N LYS A 11 4.051 -12.495 -5.160 1.00 0.00 N ATOM 167 CA LYS A 11 2.999 -13.078 -4.327 1.00 0.00 C ATOM 168 C LYS A 11 1.883 -12.058 -4.154 1.00 0.00 C ATOM 169 O LYS A 11 2.117 -10.873 -4.382 1.00 0.00 O ATOM 170 CB LYS A 11 3.606 -13.420 -2.956 1.00 0.00 C ATOM 171 CG LYS A 11 2.923 -14.628 -2.298 1.00 0.00 C ATOM 172 CD LYS A 11 3.287 -14.768 -0.816 1.00 0.00 C ATOM 173 CE LYS A 11 2.528 -13.756 0.055 1.00 0.00 C ATOM 174 NZ LYS A 11 2.881 -13.920 1.481 1.00 0.00 N ATOM 0 H LYS A 11 4.528 -11.712 -4.713 1.00 0.00 H new ATOM 0 HA LYS A 11 2.595 -13.978 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.670 -13.627 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.521 -12.555 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.842 -14.529 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.209 -15.537 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.060 -15.780 -0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.360 -14.624 -0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.764 -12.742 -0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.454 -13.890 -0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.356 -13.226 2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.633 -14.881 1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.902 -13.769 1.605 1.00 0.00 H new ATOM 188 N THR A 12 0.704 -12.477 -3.704 1.00 0.00 N ATOM 189 CA THR A 12 -0.410 -11.572 -3.477 1.00 0.00 C ATOM 190 C THR A 12 -0.864 -11.736 -2.029 1.00 0.00 C ATOM 191 O THR A 12 -0.999 -12.854 -1.524 1.00 0.00 O ATOM 192 CB THR A 12 -1.554 -11.794 -4.481 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.091 -11.898 -5.818 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.552 -10.633 -4.427 1.00 0.00 C ATOM 0 H THR A 12 0.498 -13.452 -3.488 1.00 0.00 H new ATOM 0 HA THR A 12 -0.087 -10.544 -3.641 1.00 0.00 H new ATOM 0 HB THR A 12 -2.028 -12.732 -4.193 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.853 -12.040 -6.418 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.354 -10.809 -5.144 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.972 -10.561 -3.424 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.041 -9.702 -4.674 1.00 0.00 H new ATOM 202 N ILE A 13 -1.086 -10.614 -1.352 1.00 0.00 N ATOM 203 CA ILE A 13 -1.535 -10.505 0.031 1.00 0.00 C ATOM 204 C ILE A 13 -2.830 -9.676 -0.011 1.00 0.00 C ATOM 205 O ILE A 13 -3.039 -8.921 -0.961 1.00 0.00 O ATOM 206 CB ILE A 13 -0.393 -9.871 0.875 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.863 -10.778 0.837 1.00 0.00 C ATOM 208 CG2 ILE A 13 -0.817 -9.630 2.336 1.00 0.00 C ATOM 209 CD1 ILE A 13 2.108 -10.197 1.521 1.00 0.00 C ATOM 0 H ILE A 13 -0.948 -9.699 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.755 -11.461 0.506 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.162 -8.902 0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.619 -11.730 1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.106 -10.992 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.012 -9.186 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.672 -8.954 2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.092 -10.579 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.932 -10.906 1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.386 -9.261 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.892 -10.010 2.573 1.00 0.00 H new ATOM 221 N THR A 14 -3.687 -9.797 1.000 1.00 0.00 N ATOM 222 CA THR A 14 -4.951 -9.080 1.124 1.00 0.00 C ATOM 223 C THR A 14 -4.914 -8.307 2.439 1.00 0.00 C ATOM 224 O THR A 14 -4.312 -8.777 3.408 1.00 0.00 O ATOM 225 CB THR A 14 -6.120 -10.079 1.083 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.062 -10.824 -0.115 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.487 -9.402 1.189 1.00 0.00 C ATOM 0 H THR A 14 -3.512 -10.423 1.786 1.00 0.00 H new ATOM 0 HA THR A 14 -5.095 -8.382 0.299 1.00 0.00 H new ATOM 0 HB THR A 14 -6.013 -10.730 1.951 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.440 -10.295 -0.848 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.271 -10.158 1.154 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.551 -8.856 2.130 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.615 -8.708 0.358 1.00 0.00 H new ATOM 235 N LEU A 15 -5.506 -7.111 2.474 1.00 0.00 N ATOM 236 CA LEU A 15 -5.566 -6.269 3.667 1.00 0.00 C ATOM 237 C LEU A 15 -6.991 -5.745 3.783 1.00 0.00 C ATOM 238 O LEU A 15 -7.684 -5.652 2.768 1.00 0.00 O ATOM 239 CB LEU A 15 -4.632 -5.034 3.622 1.00 0.00 C ATOM 240 CG LEU A 15 -3.235 -5.149 2.991 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.596 -3.753 2.930 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.299 -6.038 3.802 1.00 0.00 C ATOM 0 H LEU A 15 -5.963 -6.696 1.662 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.247 -6.886 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.164 -4.245 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.497 -4.692 4.648 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.368 -5.587 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.604 -3.826 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.219 -3.094 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.511 -3.347 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.326 -6.085 3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.181 -5.624 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.719 -7.041 3.871 1.00 0.00 H new ATOM 254 N GLU A 16 -7.398 -5.377 4.994 1.00 0.00 N ATOM 255 CA GLU A 16 -8.707 -4.815 5.305 1.00 0.00 C ATOM 256 C GLU A 16 -8.414 -3.338 5.576 1.00 0.00 C ATOM 257 O GLU A 16 -7.560 -3.031 6.411 1.00 0.00 O ATOM 258 CB GLU A 16 -9.354 -5.562 6.478 1.00 0.00 C ATOM 259 CG GLU A 16 -10.824 -5.151 6.615 1.00 0.00 C ATOM 260 CD GLU A 16 -11.569 -6.014 7.628 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.060 -7.107 7.258 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.738 -5.584 8.787 1.00 0.00 O ATOM 0 H GLU A 16 -6.802 -5.466 5.817 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.440 -4.917 4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.282 -6.638 6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.818 -5.340 7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.881 -4.106 6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.314 -5.228 5.644 1.00 0.00 H new ATOM 269 N VAL A 17 -9.034 -2.427 4.831 1.00 0.00 N ATOM 270 CA VAL A 17 -8.837 -0.980 4.912 1.00 0.00 C ATOM 271 C VAL A 17 -10.162 -0.231 4.808 1.00 0.00 C ATOM 272 O VAL A 17 -11.184 -0.839 4.497 1.00 0.00 O ATOM 273 CB VAL A 17 -7.950 -0.562 3.717 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.562 -1.220 3.743 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.641 -0.847 2.359 1.00 0.00 C ATOM 0 H VAL A 17 -9.719 -2.688 4.122 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.378 -0.736 5.870 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.808 0.514 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.986 -0.888 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.042 -0.936 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.673 -2.304 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.985 -0.539 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.849 -1.914 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.576 -0.289 2.302 1.00 0.00 H new ATOM 285 N GLU A 18 -10.168 1.088 4.998 1.00 0.00 N ATOM 286 CA GLU A 18 -11.368 1.898 4.888 1.00 0.00 C ATOM 287 C GLU A 18 -11.044 3.238 4.225 1.00 0.00 C ATOM 288 O GLU A 18 -9.899 3.679 4.286 1.00 0.00 O ATOM 289 CB GLU A 18 -11.997 2.140 6.256 1.00 0.00 C ATOM 290 CG GLU A 18 -12.462 0.825 6.897 1.00 0.00 C ATOM 291 CD GLU A 18 -13.569 1.014 7.922 1.00 0.00 C ATOM 292 OE1 GLU A 18 -13.270 1.350 9.089 1.00 0.00 O ATOM 293 OE2 GLU A 18 -14.745 0.713 7.595 1.00 0.00 O ATOM 0 H GLU A 18 -9.332 1.623 5.234 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.083 1.353 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.275 2.630 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.845 2.817 6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.812 0.151 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.611 0.342 7.377 1.00 0.00 H new ATOM 300 N PRO A 19 -12.036 3.926 3.639 1.00 0.00 N ATOM 301 CA PRO A 19 -11.832 5.214 2.985 1.00 0.00 C ATOM 302 C PRO A 19 -11.160 6.288 3.859 1.00 0.00 C ATOM 303 O PRO A 19 -10.384 7.102 3.341 1.00 0.00 O ATOM 304 CB PRO A 19 -13.216 5.662 2.526 1.00 0.00 C ATOM 305 CG PRO A 19 -14.044 4.379 2.487 1.00 0.00 C ATOM 306 CD PRO A 19 -13.415 3.468 3.511 1.00 0.00 C ATOM 0 HA PRO A 19 -11.129 5.089 2.161 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.645 6.390 3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.174 6.137 1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.089 4.578 2.726 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.024 3.928 1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.939 3.527 4.465 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.455 2.427 3.189 1.00 0.00 H new ATOM 314 N SER A 20 -11.466 6.331 5.158 1.00 0.00 N ATOM 315 CA SER A 20 -10.915 7.293 6.105 1.00 0.00 C ATOM 316 C SER A 20 -9.542 6.860 6.635 1.00 0.00 C ATOM 317 O SER A 20 -8.856 7.692 7.235 1.00 0.00 O ATOM 318 CB SER A 20 -11.930 7.538 7.237 1.00 0.00 C ATOM 319 OG SER A 20 -11.993 8.902 7.615 1.00 0.00 O ATOM 0 H SER A 20 -12.122 5.679 5.588 1.00 0.00 H new ATOM 0 HA SER A 20 -10.744 8.236 5.586 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.917 7.206 6.915 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.658 6.935 8.103 1.00 0.00 H new ATOM 0 HG SER A 20 -12.650 9.012 8.334 1.00 0.00 H new ATOM 325 N ASP A 21 -9.121 5.605 6.434 1.00 0.00 N ATOM 326 CA ASP A 21 -7.818 5.144 6.913 1.00 0.00 C ATOM 327 C ASP A 21 -6.719 5.892 6.163 1.00 0.00 C ATOM 328 O ASP A 21 -6.752 6.003 4.930 1.00 0.00 O ATOM 329 CB ASP A 21 -7.588 3.633 6.697 1.00 0.00 C ATOM 330 CG ASP A 21 -8.080 2.719 7.817 1.00 0.00 C ATOM 331 OD1 ASP A 21 -7.476 1.632 7.985 1.00 0.00 O ATOM 332 OD2 ASP A 21 -9.064 3.060 8.511 1.00 0.00 O ATOM 0 H ASP A 21 -9.664 4.894 5.944 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.794 5.338 7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.081 3.339 5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.520 3.463 6.558 1.00 0.00 H new ATOM 337 N THR A 22 -5.749 6.436 6.897 1.00 0.00 N ATOM 338 CA THR A 22 -4.636 7.123 6.265 1.00 0.00 C ATOM 339 C THR A 22 -3.729 6.047 5.662 1.00 0.00 C ATOM 340 O THR A 22 -3.737 4.901 6.128 1.00 0.00 O ATOM 341 CB THR A 22 -3.881 7.999 7.268 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.554 7.300 8.443 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.682 9.239 7.634 1.00 0.00 C ATOM 0 H THR A 22 -5.715 6.413 7.916 1.00 0.00 H new ATOM 0 HA THR A 22 -4.993 7.797 5.487 1.00 0.00 H new ATOM 0 HB THR A 22 -2.957 8.297 6.773 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.910 7.822 8.966 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.118 9.839 8.348 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.873 9.827 6.736 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.630 8.941 8.081 1.00 0.00 H new ATOM 351 N ILE A 23 -2.896 6.405 4.681 1.00 0.00 N ATOM 352 CA ILE A 23 -1.973 5.472 4.023 1.00 0.00 C ATOM 353 C ILE A 23 -1.039 4.820 5.046 1.00 0.00 C ATOM 354 O ILE A 23 -0.509 3.744 4.788 1.00 0.00 O ATOM 355 CB ILE A 23 -1.201 6.183 2.891 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.134 6.949 1.929 1.00 0.00 C ATOM 357 CG2 ILE A 23 -0.287 5.225 2.103 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.315 6.127 1.421 1.00 0.00 C ATOM 0 H ILE A 23 -2.842 7.356 4.318 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.550 4.669 3.564 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.564 6.913 3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.514 7.835 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.552 7.296 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.231 5.778 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.444 4.782 2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.889 4.436 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.922 6.737 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.946 5.254 0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.922 5.802 2.266 1.00 0.00 H new ATOM 370 N GLU A 24 -0.858 5.457 6.199 1.00 0.00 N ATOM 371 CA GLU A 24 -0.048 5.000 7.311 1.00 0.00 C ATOM 372 C GLU A 24 -0.557 3.614 7.720 1.00 0.00 C ATOM 373 O GLU A 24 0.208 2.655 7.775 1.00 0.00 O ATOM 374 CB GLU A 24 -0.197 6.021 8.451 1.00 0.00 C ATOM 375 CG GLU A 24 0.322 7.416 8.052 1.00 0.00 C ATOM 376 CD GLU A 24 -0.212 8.545 8.932 1.00 0.00 C ATOM 377 OE1 GLU A 24 -1.425 8.556 9.249 1.00 0.00 O ATOM 378 OE2 GLU A 24 0.581 9.444 9.292 1.00 0.00 O ATOM 0 H GLU A 24 -1.300 6.357 6.388 1.00 0.00 H new ATOM 0 HA GLU A 24 1.008 4.920 7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.246 6.093 8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.349 5.668 9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.411 7.416 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.047 7.614 7.016 1.00 0.00 H new ATOM 385 N ASN A 25 -1.877 3.499 7.915 1.00 0.00 N ATOM 386 CA ASN A 25 -2.562 2.265 8.299 1.00 0.00 C ATOM 387 C ASN A 25 -2.313 1.201 7.257 1.00 0.00 C ATOM 388 O ASN A 25 -1.950 0.076 7.566 1.00 0.00 O ATOM 389 CB ASN A 25 -4.091 2.427 8.382 1.00 0.00 C ATOM 390 CG ASN A 25 -4.449 3.352 9.506 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.331 4.631 9.243 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -4.734 2.941 10.622 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.514 4.288 7.806 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.169 1.998 9.280 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.475 2.820 7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.560 1.455 8.537 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.817 1.938 10.790 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.888 3.601 11.384 1.00 0.00 H new ATOM 399 N VAL A 26 -2.547 1.556 6.000 1.00 0.00 N ATOM 400 CA VAL A 26 -2.394 0.682 4.853 1.00 0.00 C ATOM 401 C VAL A 26 -0.960 0.137 4.811 1.00 0.00 C ATOM 402 O VAL A 26 -0.762 -1.062 4.610 1.00 0.00 O ATOM 403 CB VAL A 26 -2.851 1.439 3.587 1.00 0.00 C ATOM 404 CG1 VAL A 26 -3.036 0.457 2.421 1.00 0.00 C ATOM 405 CG2 VAL A 26 -4.177 2.200 3.828 1.00 0.00 C ATOM 0 H VAL A 26 -2.859 2.493 5.747 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.031 -0.200 4.920 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.076 2.165 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.358 1.002 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.091 -0.045 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.790 -0.284 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.468 2.721 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.957 1.492 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.040 2.924 4.631 1.00 0.00 H new ATOM 415 N LYS A 27 0.040 0.997 5.026 1.00 0.00 N ATOM 416 CA LYS A 27 1.449 0.628 5.033 1.00 0.00 C ATOM 417 C LYS A 27 1.748 -0.244 6.260 1.00 0.00 C ATOM 418 O LYS A 27 2.531 -1.186 6.152 1.00 0.00 O ATOM 419 CB LYS A 27 2.290 1.913 4.956 1.00 0.00 C ATOM 420 CG LYS A 27 3.783 1.632 4.726 1.00 0.00 C ATOM 421 CD LYS A 27 4.582 2.865 4.281 1.00 0.00 C ATOM 422 CE LYS A 27 4.375 4.063 5.218 1.00 0.00 C ATOM 423 NZ LYS A 27 5.310 5.168 4.930 1.00 0.00 N ATOM 0 H LYS A 27 -0.116 1.989 5.203 1.00 0.00 H new ATOM 0 HA LYS A 27 1.712 0.022 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.914 2.540 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.169 2.477 5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.216 1.242 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.885 0.852 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.642 2.614 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.285 3.142 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.351 4.423 5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.505 3.740 6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.810 6.076 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.097 5.143 5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.683 5.065 3.965 1.00 0.00 H new ATOM 437 N ALA A 28 1.123 0.013 7.407 1.00 0.00 N ATOM 438 CA ALA A 28 1.317 -0.762 8.625 1.00 0.00 C ATOM 439 C ALA A 28 0.695 -2.158 8.475 1.00 0.00 C ATOM 440 O ALA A 28 1.293 -3.157 8.877 1.00 0.00 O ATOM 441 CB ALA A 28 0.703 -0.016 9.812 1.00 0.00 C ATOM 0 H ALA A 28 0.457 0.778 7.515 1.00 0.00 H new ATOM 0 HA ALA A 28 2.385 -0.887 8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.849 -0.598 10.722 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.186 0.955 9.920 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.364 0.126 9.640 1.00 0.00 H new ATOM 447 N LYS A 29 -0.485 -2.253 7.855 1.00 0.00 N ATOM 448 CA LYS A 29 -1.219 -3.497 7.624 1.00 0.00 C ATOM 449 C LYS A 29 -0.428 -4.438 6.717 1.00 0.00 C ATOM 450 O LYS A 29 -0.555 -5.651 6.893 1.00 0.00 O ATOM 451 CB LYS A 29 -2.616 -3.189 7.054 1.00 0.00 C ATOM 452 CG LYS A 29 -3.580 -2.595 8.104 1.00 0.00 C ATOM 453 CD LYS A 29 -4.676 -1.768 7.417 1.00 0.00 C ATOM 454 CE LYS A 29 -5.631 -1.067 8.395 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.772 -1.903 8.819 1.00 0.00 N ATOM 0 H LYS A 29 -0.971 -1.435 7.488 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.352 -4.010 8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.517 -2.490 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.047 -4.105 6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.032 -3.397 8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.026 -1.968 8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.207 -1.017 6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.255 -2.421 6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.070 -0.760 9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.012 -0.159 7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.504 -1.300 9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.168 -2.395 7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.449 -2.603 9.517 1.00 0.00 H new ATOM 469 N ILE A 30 0.338 -3.935 5.739 1.00 0.00 N ATOM 470 CA ILE A 30 1.137 -4.816 4.881 1.00 0.00 C ATOM 471 C ILE A 30 2.380 -5.240 5.670 1.00 0.00 C ATOM 472 O ILE A 30 2.762 -6.406 5.607 1.00 0.00 O ATOM 473 CB ILE A 30 1.435 -4.208 3.489 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.289 -5.126 2.592 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.101 -2.830 3.536 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.631 -6.471 2.270 1.00 0.00 C ATOM 0 H ILE A 30 0.420 -2.941 5.526 1.00 0.00 H new ATOM 0 HA ILE A 30 0.565 -5.709 4.631 1.00 0.00 H new ATOM 0 HB ILE A 30 0.441 -4.098 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.505 -4.606 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.245 -5.309 3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.275 -2.475 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.450 -2.129 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.052 -2.903 4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.295 -7.058 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.440 -7.014 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.689 -6.300 1.749 1.00 0.00 H new ATOM 488 N GLN A 31 2.990 -4.338 6.452 1.00 0.00 N ATOM 489 CA GLN A 31 4.165 -4.645 7.266 1.00 0.00 C ATOM 490 C GLN A 31 3.837 -5.787 8.228 1.00 0.00 C ATOM 491 O GLN A 31 4.635 -6.706 8.392 1.00 0.00 O ATOM 492 CB GLN A 31 4.590 -3.404 8.048 1.00 0.00 C ATOM 493 CG GLN A 31 5.413 -2.460 7.180 1.00 0.00 C ATOM 494 CD GLN A 31 5.682 -1.169 7.946 1.00 0.00 C ATOM 495 OE1 GLN A 31 6.433 -1.127 8.913 1.00 0.00 O ATOM 496 NE2 GLN A 31 4.967 -0.114 7.604 1.00 0.00 N ATOM 0 H GLN A 31 2.677 -3.371 6.535 1.00 0.00 H new ATOM 0 HA GLN A 31 4.986 -4.951 6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.706 -2.884 8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.173 -3.702 8.919 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.355 -2.933 6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.880 -2.242 6.255 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.345 -0.159 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.037 0.747 8.147 1.00 0.00 H new ATOM 505 N ASP A 32 2.623 -5.784 8.782 1.00 0.00 N ATOM 506 CA ASP A 32 2.079 -6.781 9.707 1.00 0.00 C ATOM 507 C ASP A 32 1.931 -8.174 9.057 1.00 0.00 C ATOM 508 O ASP A 32 1.463 -9.121 9.686 1.00 0.00 O ATOM 509 CB ASP A 32 0.728 -6.245 10.201 1.00 0.00 C ATOM 510 CG ASP A 32 0.100 -7.069 11.320 1.00 0.00 C ATOM 511 OD1 ASP A 32 -1.077 -7.478 11.157 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.701 -7.163 12.411 1.00 0.00 O ATOM 0 H ASP A 32 1.953 -5.041 8.585 1.00 0.00 H new ATOM 0 HA ASP A 32 2.768 -6.927 10.539 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.862 -5.221 10.550 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.035 -6.207 9.360 1.00 0.00 H new ATOM 517 N LYS A 33 2.306 -8.309 7.777 1.00 0.00 N ATOM 518 CA LYS A 33 2.251 -9.519 6.961 1.00 0.00 C ATOM 519 C LYS A 33 3.512 -9.671 6.101 1.00 0.00 C ATOM 520 O LYS A 33 3.561 -10.616 5.308 1.00 0.00 O ATOM 521 CB LYS A 33 1.039 -9.422 6.015 1.00 0.00 C ATOM 522 CG LYS A 33 -0.303 -9.220 6.727 1.00 0.00 C ATOM 523 CD LYS A 33 -1.396 -8.873 5.721 1.00 0.00 C ATOM 524 CE LYS A 33 -2.737 -8.547 6.383 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.644 -7.487 7.409 1.00 0.00 N ATOM 0 H LYS A 33 2.681 -7.518 7.253 1.00 0.00 H new ATOM 0 HA LYS A 33 2.172 -10.377 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.198 -8.595 5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.986 -10.332 5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.574 -10.126 7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.213 -8.423 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.075 -8.019 5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.530 -9.710 5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.447 -8.238 5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.137 -9.452 6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.537 -6.955 7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.465 -7.918 8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.864 -6.841 7.171 1.00 0.00 H new ATOM 539 N GLU A 34 4.510 -8.784 6.224 1.00 0.00 N ATOM 540 CA GLU A 34 5.740 -8.815 5.429 1.00 0.00 C ATOM 541 C GLU A 34 7.031 -8.626 6.246 1.00 0.00 C ATOM 542 O GLU A 34 8.099 -9.075 5.823 1.00 0.00 O ATOM 543 CB GLU A 34 5.598 -7.780 4.300 1.00 0.00 C ATOM 544 CG GLU A 34 6.588 -7.981 3.143 1.00 0.00 C ATOM 545 CD GLU A 34 6.564 -9.390 2.541 1.00 0.00 C ATOM 546 OE1 GLU A 34 7.663 -9.959 2.318 1.00 0.00 O ATOM 547 OE2 GLU A 34 5.484 -9.960 2.299 1.00 0.00 O ATOM 0 H GLU A 34 4.482 -8.013 6.891 1.00 0.00 H new ATOM 0 HA GLU A 34 5.854 -9.816 5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.582 -7.822 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.738 -6.782 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.366 -7.258 2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.596 -7.766 3.499 1.00 0.00 H new ATOM 554 N GLY A 35 6.980 -7.968 7.406 1.00 0.00 N ATOM 555 CA GLY A 35 8.123 -7.750 8.291 1.00 0.00 C ATOM 556 C GLY A 35 9.122 -6.665 7.877 1.00 0.00 C ATOM 557 O GLY A 35 9.893 -6.209 8.720 1.00 0.00 O ATOM 0 H GLY A 35 6.116 -7.561 7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.743 -7.501 9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.664 -8.692 8.385 1.00 0.00 H new ATOM 561 N ILE A 36 9.128 -6.232 6.617 1.00 0.00 N ATOM 562 CA ILE A 36 10.035 -5.187 6.134 1.00 0.00 C ATOM 563 C ILE A 36 9.692 -3.842 6.803 1.00 0.00 C ATOM 564 O ILE A 36 8.558 -3.686 7.261 1.00 0.00 O ATOM 565 CB ILE A 36 9.989 -5.124 4.584 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.588 -5.026 3.931 1.00 0.00 C ATOM 567 CG2 ILE A 36 10.696 -6.373 4.036 1.00 0.00 C ATOM 568 CD1 ILE A 36 7.964 -3.630 3.944 1.00 0.00 C ATOM 0 H ILE A 36 8.502 -6.596 5.898 1.00 0.00 H new ATOM 0 HA ILE A 36 11.062 -5.423 6.411 1.00 0.00 H new ATOM 0 HB ILE A 36 10.481 -4.187 4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.661 -5.365 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.915 -5.713 4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.677 -6.353 2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.730 -6.387 4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.183 -7.267 4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.986 -3.664 3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.852 -3.291 4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.609 -2.938 3.403 1.00 0.00 H new ATOM 580 N PRO A 37 10.616 -2.867 6.875 1.00 0.00 N ATOM 581 CA PRO A 37 10.335 -1.565 7.479 1.00 0.00 C ATOM 582 C PRO A 37 9.492 -0.686 6.531 1.00 0.00 C ATOM 583 O PRO A 37 9.328 -1.034 5.363 1.00 0.00 O ATOM 584 CB PRO A 37 11.723 -0.938 7.689 1.00 0.00 C ATOM 585 CG PRO A 37 12.550 -1.516 6.543 1.00 0.00 C ATOM 586 CD PRO A 37 11.990 -2.928 6.392 1.00 0.00 C ATOM 0 HA PRO A 37 9.765 -1.655 8.404 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.683 0.150 7.646 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.141 -1.204 8.660 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.433 -0.935 5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.614 -1.527 6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.024 -3.253 5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.575 -3.644 6.969 1.00 0.00 H new ATOM 594 N PRO A 38 9.002 0.491 6.971 1.00 0.00 N ATOM 595 CA PRO A 38 8.234 1.401 6.117 1.00 0.00 C ATOM 596 C PRO A 38 9.073 1.978 4.953 1.00 0.00 C ATOM 597 O PRO A 38 8.520 2.637 4.069 1.00 0.00 O ATOM 598 CB PRO A 38 7.770 2.540 7.028 1.00 0.00 C ATOM 599 CG PRO A 38 7.917 1.989 8.441 1.00 0.00 C ATOM 600 CD PRO A 38 9.091 1.022 8.323 1.00 0.00 C ATOM 0 HA PRO A 38 7.406 0.863 5.656 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.378 3.433 6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.738 2.820 6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.120 2.781 9.162 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.010 1.482 8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.041 1.531 8.486 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.024 0.227 9.065 1.00 0.00 H new ATOM 608 N ASP A 39 10.403 1.847 5.014 1.00 0.00 N ATOM 609 CA ASP A 39 11.391 2.280 4.021 1.00 0.00 C ATOM 610 C ASP A 39 11.669 1.080 3.109 1.00 0.00 C ATOM 611 O ASP A 39 11.177 -0.011 3.385 1.00 0.00 O ATOM 612 CB ASP A 39 12.707 2.676 4.716 1.00 0.00 C ATOM 613 CG ASP A 39 12.652 4.055 5.356 1.00 0.00 C ATOM 614 OD1 ASP A 39 12.276 5.029 4.670 1.00 0.00 O ATOM 615 OD2 ASP A 39 13.055 4.193 6.537 1.00 0.00 O ATOM 0 H ASP A 39 10.849 1.403 5.817 1.00 0.00 H new ATOM 0 HA ASP A 39 11.013 3.137 3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.944 1.936 5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.517 2.652 3.987 1.00 0.00 H new ATOM 620 N GLN A 40 12.459 1.215 2.028 1.00 0.00 N ATOM 621 CA GLN A 40 12.759 0.073 1.139 1.00 0.00 C ATOM 622 C GLN A 40 11.471 -0.511 0.528 1.00 0.00 C ATOM 623 O GLN A 40 11.490 -1.599 -0.039 1.00 0.00 O ATOM 624 CB GLN A 40 13.605 -0.934 1.968 1.00 0.00 C ATOM 625 CG GLN A 40 14.520 -1.868 1.176 1.00 0.00 C ATOM 626 CD GLN A 40 15.347 -2.797 2.067 1.00 0.00 C ATOM 627 OE1 GLN A 40 15.515 -2.577 3.266 1.00 0.00 O ATOM 628 NE2 GLN A 40 15.903 -3.853 1.502 1.00 0.00 N ATOM 0 H GLN A 40 12.898 2.093 1.749 1.00 0.00 H new ATOM 0 HA GLN A 40 13.343 0.373 0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.219 -0.368 2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.924 -1.545 2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.915 -2.469 0.497 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.193 -1.271 0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.762 -4.033 0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.473 -4.489 2.060 1.00 0.00 H new ATOM 637 N ASN A 41 10.359 0.232 0.574 1.00 0.00 N ATOM 638 CA ASN A 41 9.047 -0.146 0.071 1.00 0.00 C ATOM 639 C ASN A 41 8.189 1.110 -0.058 1.00 0.00 C ATOM 640 O ASN A 41 8.342 2.035 0.741 1.00 0.00 O ATOM 641 CB ASN A 41 8.358 -1.030 1.136 1.00 0.00 C ATOM 642 CG ASN A 41 8.097 -2.450 0.677 1.00 0.00 C ATOM 643 OD1 ASN A 41 6.959 -2.900 0.685 1.00 0.00 O ATOM 644 ND2 ASN A 41 9.132 -3.181 0.304 1.00 0.00 N ATOM 0 H ASN A 41 10.358 1.164 0.988 1.00 0.00 H new ATOM 0 HA ASN A 41 9.154 -0.660 -0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.980 -1.056 2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.411 -0.570 1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.994 -4.149 0.012 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.069 -2.778 0.308 1.00 0.00 H new ATOM 651 N ARG A 42 7.230 1.136 -0.981 1.00 0.00 N ATOM 652 CA ARG A 42 6.299 2.216 -1.226 1.00 0.00 C ATOM 653 C ARG A 42 5.084 1.538 -1.875 1.00 0.00 C ATOM 654 O ARG A 42 5.266 0.600 -2.657 1.00 0.00 O ATOM 655 CB ARG A 42 7.017 3.256 -2.097 1.00 0.00 C ATOM 656 CG ARG A 42 6.204 3.673 -3.317 1.00 0.00 C ATOM 657 CD ARG A 42 6.973 4.645 -4.183 1.00 0.00 C ATOM 658 NE ARG A 42 8.228 4.076 -4.703 1.00 0.00 N ATOM 659 CZ ARG A 42 8.691 4.258 -5.941 1.00 0.00 C ATOM 660 NH1 ARG A 42 8.157 5.172 -6.738 1.00 0.00 N ATOM 661 NH2 ARG A 42 9.695 3.518 -6.381 1.00 0.00 N ATOM 0 H ARG A 42 7.080 0.350 -1.613 1.00 0.00 H new ATOM 0 HA ARG A 42 5.957 2.762 -0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.236 4.138 -1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.973 2.849 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.942 2.791 -3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.269 4.131 -2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.346 4.955 -5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.198 5.541 -3.604 1.00 0.00 H new ATOM 0 HE ARG A 42 8.784 3.501 -4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.382 5.747 -6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.521 5.301 -7.682 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.112 2.812 -5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.052 3.654 -7.327 1.00 0.00 H new ATOM 675 N LEU A 43 3.872 1.994 -1.555 1.00 0.00 N ATOM 676 CA LEU A 43 2.622 1.441 -2.083 1.00 0.00 C ATOM 677 C LEU A 43 2.265 2.113 -3.411 1.00 0.00 C ATOM 678 O LEU A 43 2.460 3.318 -3.571 1.00 0.00 O ATOM 679 CB LEU A 43 1.475 1.676 -1.072 1.00 0.00 C ATOM 680 CG LEU A 43 1.343 0.665 0.089 1.00 0.00 C ATOM 681 CD1 LEU A 43 0.764 -0.672 -0.390 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.643 0.449 0.870 1.00 0.00 C ATOM 0 H LEU A 43 3.728 2.771 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 43 2.756 0.371 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.601 2.670 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.534 1.683 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 43 0.640 1.118 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.686 -1.358 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.225 -0.508 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.419 -1.102 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.472 -0.273 1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.413 0.071 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.970 1.395 1.301 1.00 0.00 H new ATOM 694 N ILE A 44 1.676 1.363 -4.344 1.00 0.00 N ATOM 695 CA ILE A 44 1.239 1.806 -5.672 1.00 0.00 C ATOM 696 C ILE A 44 -0.137 1.163 -5.919 1.00 0.00 C ATOM 697 O ILE A 44 -0.371 0.080 -5.400 1.00 0.00 O ATOM 698 CB ILE A 44 2.244 1.303 -6.742 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.742 1.548 -6.449 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.914 1.771 -8.172 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.216 3.007 -6.437 1.00 0.00 C ATOM 0 H ILE A 44 1.480 0.375 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 44 1.185 2.893 -5.730 1.00 0.00 H new ATOM 0 HB ILE A 44 2.097 0.225 -6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.975 1.107 -5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.326 1.007 -7.193 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.660 1.380 -8.864 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.928 1.404 -8.456 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.920 2.860 -8.209 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.284 3.041 -6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.029 3.458 -7.411 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.672 3.560 -5.671 1.00 0.00 H new ATOM 713 N PHE A 45 -1.014 1.749 -6.736 1.00 0.00 N ATOM 714 CA PHE A 45 -2.353 1.275 -7.108 1.00 0.00 C ATOM 715 C PHE A 45 -2.518 1.600 -8.588 1.00 0.00 C ATOM 716 O PHE A 45 -2.625 2.775 -8.934 1.00 0.00 O ATOM 717 CB PHE A 45 -3.435 2.022 -6.315 1.00 0.00 C ATOM 718 CG PHE A 45 -4.822 1.904 -6.922 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.534 3.066 -7.273 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.365 0.639 -7.214 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.791 2.965 -7.891 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.601 0.542 -7.880 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.322 1.704 -8.204 1.00 0.00 C ATOM 0 H PHE A 45 -0.792 2.635 -7.191 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.456 0.210 -6.899 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.459 1.636 -5.296 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.164 3.076 -6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.112 4.039 -7.066 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.834 -0.257 -6.927 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.350 3.859 -8.126 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.996 -0.428 -8.143 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.282 1.627 -8.693 1.00 0.00 H new ATOM 733 N ALA A 46 -2.564 0.591 -9.463 1.00 0.00 N ATOM 734 CA ALA A 46 -2.726 0.768 -10.906 1.00 0.00 C ATOM 735 C ALA A 46 -1.784 1.863 -11.425 1.00 0.00 C ATOM 736 O ALA A 46 -2.206 2.857 -12.033 1.00 0.00 O ATOM 737 CB ALA A 46 -4.202 1.021 -11.236 1.00 0.00 C ATOM 0 H ALA A 46 -2.488 -0.387 -9.182 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.439 -0.145 -11.428 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.317 1.152 -12.312 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.799 0.170 -10.908 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.541 1.921 -10.723 1.00 0.00 H new ATOM 743 N GLY A 47 -0.504 1.712 -11.091 1.00 0.00 N ATOM 744 CA GLY A 47 0.568 2.617 -11.459 1.00 0.00 C ATOM 745 C GLY A 47 0.579 3.938 -10.689 1.00 0.00 C ATOM 746 O GLY A 47 1.577 4.655 -10.754 1.00 0.00 O ATOM 0 H GLY A 47 -0.179 0.922 -10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.521 2.112 -11.302 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.493 2.833 -12.525 1.00 0.00 H new ATOM 750 N LYS A 48 -0.496 4.319 -9.990 1.00 0.00 N ATOM 751 CA LYS A 48 -0.523 5.558 -9.230 1.00 0.00 C ATOM 752 C LYS A 48 0.288 5.299 -7.977 1.00 0.00 C ATOM 753 O LYS A 48 0.006 4.355 -7.244 1.00 0.00 O ATOM 754 CB LYS A 48 -1.953 5.992 -8.892 1.00 0.00 C ATOM 755 CG LYS A 48 -1.903 7.200 -7.948 1.00 0.00 C ATOM 756 CD LYS A 48 -3.211 7.977 -7.922 1.00 0.00 C ATOM 757 CE LYS A 48 -3.297 8.870 -9.165 1.00 0.00 C ATOM 758 NZ LYS A 48 -4.283 9.951 -8.964 1.00 0.00 N ATOM 0 H LYS A 48 -1.360 3.779 -9.940 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.102 6.378 -9.812 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.493 6.249 -9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.494 5.170 -8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.667 6.859 -6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.096 7.865 -8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.055 7.288 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.268 8.585 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.318 9.299 -9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.579 8.271 -10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.326 10.544 -9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.220 9.537 -8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.998 10.534 -8.151 1.00 0.00 H new ATOM 772 N GLN A 49 1.296 6.127 -7.750 1.00 0.00 N ATOM 773 CA GLN A 49 2.168 6.011 -6.604 1.00 0.00 C ATOM 774 C GLN A 49 1.421 6.620 -5.424 1.00 0.00 C ATOM 775 O GLN A 49 0.762 7.652 -5.585 1.00 0.00 O ATOM 776 CB GLN A 49 3.500 6.731 -6.867 1.00 0.00 C ATOM 777 CG GLN A 49 4.106 6.516 -8.269 1.00 0.00 C ATOM 778 CD GLN A 49 3.576 7.534 -9.282 1.00 0.00 C ATOM 779 OE1 GLN A 49 2.589 7.195 -10.097 1.00 0.00 O flip ATOM 780 NE2 GLN A 49 4.026 8.676 -9.318 1.00 0.00 N flip ATOM 0 H GLN A 49 1.530 6.905 -8.367 1.00 0.00 H new ATOM 0 HA GLN A 49 2.417 4.971 -6.396 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.351 7.800 -6.715 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.225 6.401 -6.123 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.192 6.593 -8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.876 5.508 -8.613 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.786 8.945 -8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.639 9.356 -9.973 1.00 0.00 H new ATOM 789 N LEU A 50 1.524 5.991 -4.254 1.00 0.00 N ATOM 790 CA LEU A 50 0.870 6.403 -3.020 1.00 0.00 C ATOM 791 C LEU A 50 1.942 6.556 -1.952 1.00 0.00 C ATOM 792 O LEU A 50 3.027 5.979 -2.072 1.00 0.00 O ATOM 793 CB LEU A 50 -0.145 5.325 -2.587 1.00 0.00 C ATOM 794 CG LEU A 50 -1.088 4.822 -3.699 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.879 3.612 -3.208 1.00 0.00 C ATOM 796 CD2 LEU A 50 -2.056 5.910 -4.168 1.00 0.00 C ATOM 0 H LEU A 50 2.088 5.149 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 50 0.340 7.344 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.404 4.473 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.750 5.725 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.466 4.540 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.542 3.265 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.190 2.813 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.471 3.893 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.700 5.511 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.667 6.240 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.491 6.756 -4.559 1.00 0.00 H new ATOM 808 N GLU A 51 1.670 7.328 -0.905 1.00 0.00 N ATOM 809 CA GLU A 51 2.600 7.547 0.189 1.00 0.00 C ATOM 810 C GLU A 51 1.845 8.081 1.394 1.00 0.00 C ATOM 811 O GLU A 51 0.682 8.476 1.269 1.00 0.00 O ATOM 812 CB GLU A 51 3.675 8.558 -0.232 1.00 0.00 C ATOM 813 CG GLU A 51 3.159 10.006 -0.298 1.00 0.00 C ATOM 814 CD GLU A 51 4.161 10.925 -0.993 1.00 0.00 C ATOM 815 OE1 GLU A 51 4.730 11.823 -0.334 1.00 0.00 O ATOM 816 OE2 GLU A 51 4.406 10.739 -2.206 1.00 0.00 O ATOM 0 H GLU A 51 0.786 7.824 -0.794 1.00 0.00 H new ATOM 0 HA GLU A 51 3.080 6.603 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.506 8.508 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.067 8.275 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.209 10.031 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.967 10.372 0.711 1.00 0.00 H new ATOM 823 N ASP A 52 2.501 8.085 2.553 1.00 0.00 N ATOM 824 CA ASP A 52 1.878 8.605 3.755 1.00 0.00 C ATOM 825 C ASP A 52 1.860 10.126 3.694 1.00 0.00 C ATOM 826 O ASP A 52 2.865 10.770 3.379 1.00 0.00 O ATOM 827 CB ASP A 52 2.484 8.049 5.047 1.00 0.00 C ATOM 828 CG ASP A 52 3.887 8.558 5.343 1.00 0.00 C ATOM 829 OD1 ASP A 52 4.040 9.550 6.088 1.00 0.00 O ATOM 830 OD2 ASP A 52 4.862 7.929 4.871 1.00 0.00 O ATOM 0 H ASP A 52 3.452 7.737 2.679 1.00 0.00 H new ATOM 0 HA ASP A 52 0.847 8.253 3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.832 8.306 5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.509 6.961 4.985 1.00 0.00 H new ATOM 835 N GLY A 53 0.666 10.661 3.937 1.00 0.00 N ATOM 836 CA GLY A 53 0.312 12.066 3.947 1.00 0.00 C ATOM 837 C GLY A 53 -1.165 12.308 3.619 1.00 0.00 C ATOM 838 O GLY A 53 -1.626 13.425 3.854 1.00 0.00 O ATOM 0 H GLY A 53 -0.138 10.071 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.535 12.485 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.932 12.597 3.225 1.00 0.00 H new ATOM 842 N ARG A 54 -1.909 11.307 3.110 1.00 0.00 N ATOM 843 CA ARG A 54 -3.332 11.383 2.737 1.00 0.00 C ATOM 844 C ARG A 54 -4.146 10.170 3.221 1.00 0.00 C ATOM 845 O ARG A 54 -3.672 9.417 4.078 1.00 0.00 O ATOM 846 CB ARG A 54 -3.475 11.537 1.226 1.00 0.00 C ATOM 847 CG ARG A 54 -2.439 12.460 0.585 1.00 0.00 C ATOM 848 CD ARG A 54 -3.070 13.006 -0.675 1.00 0.00 C ATOM 849 NE ARG A 54 -2.067 13.509 -1.615 1.00 0.00 N ATOM 850 CZ ARG A 54 -2.297 13.758 -2.903 1.00 0.00 C ATOM 851 NH1 ARG A 54 -3.533 13.712 -3.396 1.00 0.00 N ATOM 852 NH2 ARG A 54 -1.280 14.043 -3.700 1.00 0.00 N ATOM 0 H ARG A 54 -1.515 10.382 2.940 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.740 12.260 3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.402 10.552 0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.471 11.920 1.005 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.167 13.268 1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.523 11.915 0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.657 12.223 -1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.760 13.809 -0.417 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.127 13.681 -1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.317 13.484 -2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.695 13.905 -4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.331 14.070 -3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.445 14.235 -4.688 1.00 0.00 H new ATOM 866 N THR A 55 -5.341 9.955 2.658 1.00 0.00 N ATOM 867 CA THR A 55 -6.252 8.852 2.960 1.00 0.00 C ATOM 868 C THR A 55 -6.542 8.015 1.715 1.00 0.00 C ATOM 869 O THR A 55 -6.101 8.324 0.600 1.00 0.00 O ATOM 870 CB THR A 55 -7.592 9.361 3.528 1.00 0.00 C ATOM 871 OG1 THR A 55 -8.304 10.168 2.601 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.490 10.087 4.855 1.00 0.00 C ATOM 0 H THR A 55 -5.715 10.579 1.943 1.00 0.00 H new ATOM 0 HA THR A 55 -5.752 8.237 3.708 1.00 0.00 H new ATOM 0 HB THR A 55 -8.149 8.443 3.715 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.809 10.999 2.442 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.483 10.406 5.172 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.067 9.418 5.604 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.846 10.960 4.744 1.00 0.00 H new ATOM 880 N LEU A 56 -7.305 6.937 1.904 1.00 0.00 N ATOM 881 CA LEU A 56 -7.715 6.061 0.820 1.00 0.00 C ATOM 882 C LEU A 56 -8.708 6.806 -0.074 1.00 0.00 C ATOM 883 O LEU A 56 -8.649 6.668 -1.299 1.00 0.00 O ATOM 884 CB LEU A 56 -8.362 4.790 1.389 1.00 0.00 C ATOM 885 CG LEU A 56 -7.735 3.495 0.842 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.520 2.493 1.972 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.643 2.881 -0.225 1.00 0.00 C ATOM 0 H LEU A 56 -7.654 6.651 2.819 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.844 5.771 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.272 4.799 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.427 4.797 1.157 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.771 3.738 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.076 1.582 1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.852 2.924 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.478 2.256 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.190 1.965 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.614 2.651 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.773 3.589 -1.044 1.00 0.00 H new ATOM 899 N SER A 57 -9.606 7.598 0.534 1.00 0.00 N ATOM 900 CA SER A 57 -10.608 8.350 -0.212 1.00 0.00 C ATOM 901 C SER A 57 -9.924 9.440 -1.040 1.00 0.00 C ATOM 902 O SER A 57 -10.295 9.643 -2.196 1.00 0.00 O ATOM 903 CB SER A 57 -11.659 8.941 0.741 1.00 0.00 C ATOM 904 OG SER A 57 -12.916 9.111 0.108 1.00 0.00 O ATOM 0 H SER A 57 -9.652 7.729 1.544 1.00 0.00 H new ATOM 0 HA SER A 57 -11.129 7.678 -0.895 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.774 8.286 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.309 9.903 1.115 1.00 0.00 H new ATOM 0 HG SER A 57 -13.556 9.487 0.748 1.00 0.00 H new ATOM 910 N ASP A 58 -8.903 10.105 -0.483 1.00 0.00 N ATOM 911 CA ASP A 58 -8.145 11.172 -1.142 1.00 0.00 C ATOM 912 C ASP A 58 -7.557 10.678 -2.444 1.00 0.00 C ATOM 913 O ASP A 58 -7.795 11.259 -3.502 1.00 0.00 O ATOM 914 CB ASP A 58 -6.958 11.634 -0.290 1.00 0.00 C ATOM 915 CG ASP A 58 -7.331 12.751 0.665 1.00 0.00 C ATOM 916 OD1 ASP A 58 -7.319 12.497 1.890 1.00 0.00 O ATOM 917 OD2 ASP A 58 -7.633 13.865 0.176 1.00 0.00 O ATOM 0 H ASP A 58 -8.575 9.909 0.463 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.847 11.991 -1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.571 10.788 0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.155 11.972 -0.944 1.00 0.00 H new ATOM 922 N TYR A 59 -6.793 9.586 -2.367 1.00 0.00 N ATOM 923 CA TYR A 59 -6.152 9.011 -3.537 1.00 0.00 C ATOM 924 C TYR A 59 -7.141 8.399 -4.538 1.00 0.00 C ATOM 925 O TYR A 59 -6.745 8.003 -5.638 1.00 0.00 O ATOM 926 CB TYR A 59 -5.070 8.027 -3.096 1.00 0.00 C ATOM 927 CG TYR A 59 -3.742 8.717 -2.831 1.00 0.00 C ATOM 928 CD1 TYR A 59 -3.083 9.370 -3.887 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.181 8.755 -1.541 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.872 10.040 -3.666 1.00 0.00 C ATOM 931 CE2 TYR A 59 -1.949 9.397 -1.313 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.288 10.043 -2.383 1.00 0.00 C ATOM 933 OH TYR A 59 -0.097 10.672 -2.189 1.00 0.00 O ATOM 0 H TYR A 59 -6.607 9.085 -1.498 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.679 9.822 -4.091 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.396 7.511 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.936 7.267 -3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.514 9.355 -4.877 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.701 8.287 -0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.385 10.555 -4.481 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.511 9.396 -0.326 1.00 0.00 H new ATOM 0 HH TYR A 59 0.055 10.795 -1.229 1.00 0.00 H new ATOM 943 N ASN A 60 -8.423 8.375 -4.177 1.00 0.00 N ATOM 944 CA ASN A 60 -9.559 7.878 -4.925 1.00 0.00 C ATOM 945 C ASN A 60 -9.291 6.486 -5.480 1.00 0.00 C ATOM 946 O ASN A 60 -9.089 6.264 -6.678 1.00 0.00 O ATOM 947 CB ASN A 60 -10.010 8.887 -5.981 1.00 0.00 C ATOM 948 CG ASN A 60 -11.096 8.282 -6.823 1.00 0.00 C ATOM 949 OD1 ASN A 60 -12.018 7.636 -6.335 1.00 0.00 O ATOM 950 ND2 ASN A 60 -10.914 8.334 -8.117 1.00 0.00 N ATOM 0 H ASN A 60 -8.711 8.738 -3.268 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.402 7.765 -4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.372 9.795 -5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.166 9.174 -6.609 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.545 7.832 -8.741 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.141 8.877 -8.502 1.00 0.00 H new ATOM 957 N ILE A 61 -9.321 5.537 -4.560 1.00 0.00 N ATOM 958 CA ILE A 61 -9.103 4.126 -4.815 1.00 0.00 C ATOM 959 C ILE A 61 -10.428 3.428 -4.535 1.00 0.00 C ATOM 960 O ILE A 61 -11.205 3.842 -3.666 1.00 0.00 O ATOM 961 CB ILE A 61 -7.897 3.624 -3.995 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.701 4.558 -4.288 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.598 2.144 -4.289 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.370 4.054 -3.763 1.00 0.00 C ATOM 0 H ILE A 61 -9.505 5.738 -3.577 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.827 3.907 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.115 3.662 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.622 4.701 -5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.904 5.536 -3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.743 1.821 -3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.468 1.539 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.371 2.022 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.586 4.769 -4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.426 3.939 -2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.140 3.091 -4.219 1.00 0.00 H new ATOM 976 N GLN A 62 -10.690 2.381 -5.305 1.00 0.00 N ATOM 977 CA GLN A 62 -11.883 1.566 -5.258 1.00 0.00 C ATOM 978 C GLN A 62 -11.615 0.303 -4.447 1.00 0.00 C ATOM 979 O GLN A 62 -10.459 -0.111 -4.299 1.00 0.00 O ATOM 980 CB GLN A 62 -12.233 1.200 -6.712 1.00 0.00 C ATOM 981 CG GLN A 62 -12.642 2.401 -7.588 1.00 0.00 C ATOM 982 CD GLN A 62 -11.543 3.445 -7.794 1.00 0.00 C ATOM 983 OE1 GLN A 62 -10.484 3.165 -8.351 1.00 0.00 O ATOM 984 NE2 GLN A 62 -11.726 4.654 -7.295 1.00 0.00 N ATOM 0 H GLN A 62 -10.034 2.064 -6.019 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.706 2.101 -4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.373 0.709 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.047 0.476 -6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.960 2.031 -8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.506 2.887 -7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.605 4.887 -6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.989 5.355 -7.372 1.00 0.00 H new ATOM 993 N LYS A 63 -12.682 -0.317 -3.940 1.00 0.00 N ATOM 994 CA LYS A 63 -12.572 -1.550 -3.171 1.00 0.00 C ATOM 995 C LYS A 63 -11.995 -2.644 -4.069 1.00 0.00 C ATOM 996 O LYS A 63 -12.061 -2.534 -5.298 1.00 0.00 O ATOM 997 CB LYS A 63 -13.945 -1.955 -2.619 1.00 0.00 C ATOM 998 CG LYS A 63 -14.907 -2.426 -3.724 1.00 0.00 C ATOM 999 CD LYS A 63 -16.255 -2.840 -3.146 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.132 -3.415 -4.260 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.377 -3.986 -3.719 1.00 0.00 N ATOM 0 H LYS A 63 -13.638 0.021 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.905 -1.400 -2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.818 -2.753 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.386 -1.108 -2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.051 -1.625 -4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.465 -3.266 -4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.113 -3.582 -2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.746 -1.981 -2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.371 -2.631 -4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.580 -4.185 -4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.951 -4.368 -4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.147 -4.750 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.913 -3.244 -3.225 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.519 -3.731 -3.472 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.925 -4.877 -4.158 1.00 0.00 C ATOM 1017 C GLU A 64 -9.928 -4.440 -5.254 1.00 0.00 C ATOM 1018 O GLU A 64 -9.940 -4.960 -6.376 1.00 0.00 O ATOM 1019 CB GLU A 64 -12.022 -5.839 -4.661 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.740 -6.619 -3.547 1.00 0.00 C ATOM 1021 CD GLU A 64 -13.874 -5.838 -2.877 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -13.729 -5.425 -1.702 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -14.961 -5.716 -3.481 1.00 0.00 O ATOM 0 H GLU A 64 -11.536 -3.844 -2.458 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.327 -5.439 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.761 -5.267 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.575 -6.550 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.144 -7.541 -3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.011 -6.905 -2.789 1.00 0.00 H new ATOM 1030 N SER A 65 -9.114 -3.419 -4.970 1.00 0.00 N ATOM 1031 CA SER A 65 -8.099 -2.907 -5.886 1.00 0.00 C ATOM 1032 C SER A 65 -6.876 -3.841 -5.850 1.00 0.00 C ATOM 1033 O SER A 65 -6.862 -4.800 -5.074 1.00 0.00 O ATOM 1034 CB SER A 65 -7.770 -1.446 -5.542 1.00 0.00 C ATOM 1035 OG SER A 65 -8.016 -1.117 -4.195 1.00 0.00 O ATOM 0 H SER A 65 -9.145 -2.919 -4.081 1.00 0.00 H new ATOM 0 HA SER A 65 -8.467 -2.899 -6.912 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.721 -1.255 -5.769 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.359 -0.789 -6.182 1.00 0.00 H new ATOM 0 HG SER A 65 -8.943 -0.816 -4.096 1.00 0.00 H new ATOM 1041 N THR A 66 -5.868 -3.602 -6.696 1.00 0.00 N ATOM 1042 CA THR A 66 -4.670 -4.422 -6.754 1.00 0.00 C ATOM 1043 C THR A 66 -3.552 -3.406 -6.709 1.00 0.00 C ATOM 1044 O THR A 66 -3.409 -2.565 -7.604 1.00 0.00 O ATOM 1045 CB THR A 66 -4.648 -5.348 -7.983 1.00 0.00 C ATOM 1046 OG1 THR A 66 -5.799 -6.168 -7.976 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.424 -6.277 -7.976 1.00 0.00 C ATOM 0 H THR A 66 -5.868 -2.828 -7.360 1.00 0.00 H new ATOM 0 HA THR A 66 -4.591 -5.136 -5.934 1.00 0.00 H new ATOM 0 HB THR A 66 -4.613 -4.711 -8.866 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.786 -6.757 -8.759 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.446 -6.914 -8.860 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.513 -5.679 -7.983 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.444 -6.898 -7.080 1.00 0.00 H new ATOM 1055 N LEU A 67 -2.860 -3.413 -5.582 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.760 -2.537 -5.285 1.00 0.00 C ATOM 1057 C LEU A 67 -0.461 -3.290 -5.531 1.00 0.00 C ATOM 1058 O LEU A 67 -0.453 -4.512 -5.689 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.893 -2.020 -3.838 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.947 -0.899 -3.715 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.396 -1.393 -3.801 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.763 -0.114 -2.417 1.00 0.00 C ATOM 0 H LEU A 67 -3.066 -4.061 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.762 -1.661 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.166 -2.847 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.927 -1.648 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.776 -0.254 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.075 -0.546 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.557 -1.882 -4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.587 -2.103 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.518 0.670 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.869 -0.787 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.771 0.337 -2.402 1.00 0.00 H new ATOM 1074 N HIS A 68 0.644 -2.559 -5.550 1.00 0.00 N ATOM 1075 CA HIS A 68 1.980 -3.079 -5.770 1.00 0.00 C ATOM 1076 C HIS A 68 2.919 -2.492 -4.719 1.00 0.00 C ATOM 1077 O HIS A 68 2.597 -1.474 -4.093 1.00 0.00 O ATOM 1078 CB HIS A 68 2.419 -2.720 -7.197 1.00 0.00 C ATOM 1079 CG HIS A 68 3.442 -3.668 -7.743 1.00 0.00 C ATOM 1080 ND1 HIS A 68 4.799 -3.578 -7.537 1.00 0.00 N ATOM 1081 CD2 HIS A 68 3.182 -4.791 -8.474 1.00 0.00 C ATOM 1082 CE1 HIS A 68 5.348 -4.660 -8.112 1.00 0.00 C ATOM 1083 NE2 HIS A 68 4.409 -5.407 -8.719 1.00 0.00 N ATOM 0 H HIS A 68 0.631 -1.549 -5.407 1.00 0.00 H new ATOM 0 HA HIS A 68 2.002 -4.164 -5.671 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.547 -2.717 -7.851 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.826 -1.709 -7.204 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.212 -5.136 -8.800 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.401 -4.898 -8.090 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.564 -6.260 -9.256 1.00 0.00 H new ATOM 1090 N LEU A 69 4.073 -3.130 -4.538 1.00 0.00 N ATOM 1091 CA LEU A 69 5.118 -2.748 -3.603 1.00 0.00 C ATOM 1092 C LEU A 69 6.403 -2.596 -4.393 1.00 0.00 C ATOM 1093 O LEU A 69 6.869 -3.565 -4.988 1.00 0.00 O ATOM 1094 CB LEU A 69 5.328 -3.817 -2.515 1.00 0.00 C ATOM 1095 CG LEU A 69 4.118 -4.075 -1.611 1.00 0.00 C ATOM 1096 CD1 LEU A 69 4.435 -5.214 -0.638 1.00 0.00 C ATOM 1097 CD2 LEU A 69 3.699 -2.827 -0.827 1.00 0.00 C ATOM 0 H LEU A 69 4.312 -3.968 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 69 4.831 -1.820 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.607 -4.754 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.170 -3.517 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 69 3.283 -4.351 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.573 -5.395 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.666 -6.119 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.293 -4.940 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.838 -3.062 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.526 -2.498 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.435 -2.031 -1.524 1.00 0.00 H new ATOM 1109 N VAL A 70 6.966 -1.393 -4.421 1.00 0.00 N ATOM 1110 CA VAL A 70 8.217 -1.116 -5.118 1.00 0.00 C ATOM 1111 C VAL A 70 9.156 -0.444 -4.122 1.00 0.00 C ATOM 1112 O VAL A 70 8.710 0.292 -3.236 1.00 0.00 O ATOM 1113 CB VAL A 70 7.985 -0.314 -6.411 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.207 -1.143 -7.440 1.00 0.00 C ATOM 1115 CG2 VAL A 70 7.235 0.996 -6.159 1.00 0.00 C ATOM 0 H VAL A 70 6.565 -0.578 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 70 8.685 -2.037 -5.465 1.00 0.00 H new ATOM 0 HB VAL A 70 8.974 -0.074 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.057 -0.553 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.771 -2.043 -7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.239 -1.423 -7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.097 1.524 -7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.262 0.779 -5.719 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.811 1.620 -5.476 1.00 0.00 H new ATOM 1125 N LEU A 71 10.464 -0.576 -4.332 1.00 0.00 N ATOM 1126 CA LEU A 71 11.436 -0.010 -3.418 1.00 0.00 C ATOM 1127 C LEU A 71 11.624 1.484 -3.594 1.00 0.00 C ATOM 1128 O LEU A 71 11.237 2.114 -4.581 1.00 0.00 O ATOM 1129 CB LEU A 71 12.836 -0.581 -3.736 1.00 0.00 C ATOM 1130 CG LEU A 71 13.231 -1.863 -2.999 1.00 0.00 C ATOM 1131 CD1 LEU A 71 13.670 -2.960 -3.966 1.00 0.00 C ATOM 1132 CD2 LEU A 71 14.409 -1.486 -2.090 1.00 0.00 C ATOM 0 H LEU A 71 10.868 -1.070 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 71 11.060 -0.246 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.892 -0.772 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.577 0.185 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 71 12.380 -2.253 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.942 -3.853 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.851 -3.195 -4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.531 -2.616 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.736 -2.365 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.233 -1.113 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 71 14.095 -0.712 -1.390 1.00 0.00 H new