USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 25 ASN : amide:sc= 1.01 K(o=2.2,f=-4) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot -79:sc= 1.13 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0229 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=0.000795 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= 2.51 (180deg=0.0531) USER MOD Single : A 31 GLN : amide:sc= 0.585 K(o=0.59,f=-0.0028) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0751 X(o=-0.075,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.861 K(o=0.86,f=-7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.0773 USER MOD Single : A 60 ASN : amide:sc= 0.989 K(o=0.99,f=-0.023) USER MOD Single : A 62 GLN : amide:sc= 0.114 K(o=0.11,f=-3.5!) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= 1.31 (180deg=0.566) USER MOD Single : A 65 SER OG : rot -89:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -4.981 -12.259 4.355 1.00 0.00 N ATOM 21 CA GLN A 2 -3.562 -11.929 4.392 1.00 0.00 C ATOM 22 C GLN A 2 -3.076 -11.565 2.984 1.00 0.00 C ATOM 23 O GLN A 2 -3.441 -12.253 2.027 1.00 0.00 O ATOM 24 CB GLN A 2 -2.813 -13.126 4.990 1.00 0.00 C ATOM 25 CG GLN A 2 -1.298 -12.924 5.057 1.00 0.00 C ATOM 26 CD GLN A 2 -0.670 -13.983 5.953 1.00 0.00 C ATOM 27 OE1 GLN A 2 -0.419 -15.106 5.550 1.00 0.00 O ATOM 28 NE2 GLN A 2 -0.579 -13.748 7.243 1.00 0.00 N ATOM 0 HA GLN A 2 -3.371 -11.058 5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.191 -13.317 5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.028 -14.013 4.395 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.870 -12.983 4.056 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.072 -11.930 5.442 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.783 -12.818 7.608 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.304 -14.496 7.880 1.00 0.00 H new ATOM 37 N ILE A 3 -2.273 -10.505 2.867 1.00 0.00 N ATOM 38 CA ILE A 3 -1.722 -9.985 1.600 1.00 0.00 C ATOM 39 C ILE A 3 -0.241 -9.614 1.784 1.00 0.00 C ATOM 40 O ILE A 3 0.197 -9.331 2.907 1.00 0.00 O ATOM 41 CB ILE A 3 -2.555 -8.789 1.062 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.383 -7.506 1.912 1.00 0.00 C ATOM 43 CG2 ILE A 3 -4.044 -9.160 0.912 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.084 -6.263 1.347 1.00 0.00 C ATOM 0 H ILE A 3 -1.974 -9.961 3.677 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.786 -10.770 0.847 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.160 -8.563 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.765 -7.697 2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.319 -7.292 2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.597 -8.300 0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.143 -9.991 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.446 -9.451 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.909 -5.414 2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.687 -6.040 0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.155 -6.451 1.274 1.00 0.00 H new ATOM 56 N PHE A 4 0.517 -9.599 0.683 1.00 0.00 N ATOM 57 CA PHE A 4 1.970 -9.397 0.680 1.00 0.00 C ATOM 58 C PHE A 4 2.454 -8.209 -0.163 1.00 0.00 C ATOM 59 O PHE A 4 1.935 -7.975 -1.256 1.00 0.00 O ATOM 60 CB PHE A 4 2.667 -10.693 0.244 1.00 0.00 C ATOM 61 CG PHE A 4 2.418 -11.881 1.159 1.00 0.00 C ATOM 62 CD1 PHE A 4 2.990 -11.928 2.444 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.592 -12.936 0.728 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.745 -13.027 3.287 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.343 -14.032 1.572 1.00 0.00 C ATOM 66 CZ PHE A 4 1.916 -14.075 2.854 1.00 0.00 C ATOM 0 H PHE A 4 0.129 -9.730 -0.251 1.00 0.00 H new ATOM 0 HA PHE A 4 2.242 -9.141 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.334 -10.949 -0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.740 -10.512 0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.619 -11.118 2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.147 -12.903 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.195 -13.065 4.268 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.711 -14.841 1.235 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.719 -14.913 3.506 1.00 0.00 H new ATOM 76 N VAL A 5 3.495 -7.498 0.291 1.00 0.00 N ATOM 77 CA VAL A 5 4.176 -6.426 -0.473 1.00 0.00 C ATOM 78 C VAL A 5 5.666 -6.689 -0.710 1.00 0.00 C ATOM 79 O VAL A 5 6.397 -7.044 0.216 1.00 0.00 O ATOM 80 CB VAL A 5 3.919 -4.999 0.062 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.171 -3.939 -1.022 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.501 -4.790 0.615 1.00 0.00 C ATOM 0 H VAL A 5 3.900 -7.649 1.215 1.00 0.00 H new ATOM 0 HA VAL A 5 3.696 -6.465 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 5 4.624 -4.883 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.981 -2.947 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.206 -4.001 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.505 -4.116 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.397 -3.765 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.772 -4.976 -0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.327 -5.481 1.440 1.00 0.00 H new ATOM 92 N LYS A 6 6.121 -6.491 -1.954 1.00 0.00 N ATOM 93 CA LYS A 6 7.495 -6.693 -2.431 1.00 0.00 C ATOM 94 C LYS A 6 8.251 -5.368 -2.373 1.00 0.00 C ATOM 95 O LYS A 6 8.028 -4.497 -3.210 1.00 0.00 O ATOM 96 CB LYS A 6 7.402 -7.286 -3.857 1.00 0.00 C ATOM 97 CG LYS A 6 8.656 -7.212 -4.743 1.00 0.00 C ATOM 98 CD LYS A 6 9.766 -8.166 -4.252 1.00 0.00 C ATOM 99 CE LYS A 6 10.746 -8.548 -5.377 1.00 0.00 C ATOM 100 NZ LYS A 6 11.121 -9.990 -5.330 1.00 0.00 N ATOM 0 H LYS A 6 5.503 -6.166 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 6 8.055 -7.389 -1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.116 -8.334 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.591 -6.778 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.390 -7.463 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.034 -6.190 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.316 -7.692 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.312 -9.070 -3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.294 -8.323 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.645 -7.937 -5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.781 -10.202 -6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.577 -10.201 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.267 -10.574 -5.433 1.00 0.00 H new ATOM 114 N THR A 7 9.122 -5.196 -1.386 1.00 0.00 N ATOM 115 CA THR A 7 9.979 -4.005 -1.269 1.00 0.00 C ATOM 116 C THR A 7 11.210 -4.037 -2.180 1.00 0.00 C ATOM 117 O THR A 7 11.625 -5.089 -2.671 1.00 0.00 O ATOM 118 CB THR A 7 10.414 -3.763 0.185 1.00 0.00 C ATOM 119 OG1 THR A 7 11.335 -4.752 0.559 1.00 0.00 O ATOM 120 CG2 THR A 7 9.278 -3.771 1.197 1.00 0.00 C ATOM 0 H THR A 7 9.260 -5.876 -0.638 1.00 0.00 H new ATOM 0 HA THR A 7 9.357 -3.175 -1.604 1.00 0.00 H new ATOM 0 HB THR A 7 10.844 -2.762 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.856 -5.578 0.781 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.678 -3.592 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.563 -2.987 0.947 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.778 -4.739 1.175 1.00 0.00 H new ATOM 128 N LEU A 8 11.824 -2.864 -2.370 1.00 0.00 N ATOM 129 CA LEU A 8 13.036 -2.656 -3.180 1.00 0.00 C ATOM 130 C LEU A 8 14.260 -3.418 -2.628 1.00 0.00 C ATOM 131 O LEU A 8 15.043 -3.979 -3.393 1.00 0.00 O ATOM 132 CB LEU A 8 13.329 -1.141 -3.245 1.00 0.00 C ATOM 133 CG LEU A 8 12.222 -0.280 -3.888 1.00 0.00 C ATOM 134 CD1 LEU A 8 12.497 1.204 -3.649 1.00 0.00 C ATOM 135 CD2 LEU A 8 12.120 -0.505 -5.396 1.00 0.00 C ATOM 0 H LEU A 8 11.480 -2.000 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 8 12.852 -3.055 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.506 -0.779 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.253 -0.990 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 8 11.284 -0.580 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.708 1.799 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.523 1.401 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.457 1.472 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.328 0.122 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.068 -0.245 -5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.892 -1.552 -5.593 1.00 0.00 H new ATOM 147 N THR A 9 14.392 -3.493 -1.300 1.00 0.00 N ATOM 148 CA THR A 9 15.436 -4.251 -0.577 1.00 0.00 C ATOM 149 C THR A 9 15.097 -5.752 -0.506 1.00 0.00 C ATOM 150 O THR A 9 15.773 -6.503 0.196 1.00 0.00 O ATOM 151 CB THR A 9 15.577 -3.704 0.856 1.00 0.00 C ATOM 152 OG1 THR A 9 14.311 -3.640 1.475 1.00 0.00 O ATOM 153 CG2 THR A 9 16.158 -2.291 0.885 1.00 0.00 C ATOM 0 H THR A 9 13.753 -3.011 -0.668 1.00 0.00 H new ATOM 0 HA THR A 9 16.371 -4.131 -1.124 1.00 0.00 H new ATOM 0 HB THR A 9 16.250 -4.384 1.378 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.410 -3.293 2.386 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.237 -1.951 1.918 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.147 -2.295 0.427 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.505 -1.617 0.331 1.00 0.00 H new ATOM 161 N GLY A 10 14.052 -6.222 -1.196 1.00 0.00 N ATOM 162 CA GLY A 10 13.687 -7.639 -1.277 1.00 0.00 C ATOM 163 C GLY A 10 12.975 -8.208 -0.043 1.00 0.00 C ATOM 164 O GLY A 10 12.528 -9.353 -0.090 1.00 0.00 O ATOM 0 H GLY A 10 13.424 -5.615 -1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.043 -7.782 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.592 -8.220 -1.453 1.00 0.00 H new ATOM 168 N LYS A 11 12.805 -7.433 1.038 1.00 0.00 N ATOM 169 CA LYS A 11 11.957 -7.821 2.177 1.00 0.00 C ATOM 170 C LYS A 11 10.494 -7.990 1.758 1.00 0.00 C ATOM 171 O LYS A 11 9.924 -7.091 1.132 1.00 0.00 O ATOM 172 CB LYS A 11 12.064 -6.802 3.335 1.00 0.00 C ATOM 173 CG LYS A 11 13.169 -7.107 4.368 1.00 0.00 C ATOM 174 CD LYS A 11 12.581 -7.212 5.788 1.00 0.00 C ATOM 175 CE LYS A 11 13.661 -7.396 6.861 1.00 0.00 C ATOM 176 NZ LYS A 11 13.052 -7.586 8.203 1.00 0.00 N ATOM 0 H LYS A 11 13.250 -6.522 1.148 1.00 0.00 H new ATOM 0 HA LYS A 11 12.325 -8.784 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.243 -5.813 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.105 -6.759 3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.669 -8.040 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.925 -6.322 4.340 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.006 -6.312 6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.887 -8.051 5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.281 -8.258 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.317 -6.525 6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.804 -7.708 8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.480 -6.752 8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.446 -8.431 8.193 1.00 0.00 H new ATOM 190 N THR A 12 9.889 -9.100 2.173 1.00 0.00 N ATOM 191 CA THR A 12 8.434 -9.295 2.235 1.00 0.00 C ATOM 192 C THR A 12 7.746 -8.521 3.359 1.00 0.00 C ATOM 193 O THR A 12 8.122 -8.695 4.515 1.00 0.00 O ATOM 194 CB THR A 12 8.029 -10.785 2.310 1.00 0.00 C ATOM 195 OG1 THR A 12 8.983 -11.640 1.709 1.00 0.00 O ATOM 196 CG2 THR A 12 6.684 -11.036 1.633 1.00 0.00 C ATOM 0 H THR A 12 10.411 -9.918 2.487 1.00 0.00 H new ATOM 0 HA THR A 12 8.080 -8.882 1.291 1.00 0.00 H new ATOM 0 HB THR A 12 7.965 -11.012 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.682 -12.570 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.432 -12.094 1.705 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.912 -10.445 2.126 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.746 -10.749 0.583 1.00 0.00 H new ATOM 204 N ILE A 13 6.734 -7.704 3.060 1.00 0.00 N ATOM 205 CA ILE A 13 5.803 -7.179 4.073 1.00 0.00 C ATOM 206 C ILE A 13 4.563 -8.074 4.127 1.00 0.00 C ATOM 207 O ILE A 13 4.005 -8.401 3.082 1.00 0.00 O ATOM 208 CB ILE A 13 5.389 -5.725 3.769 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.579 -4.830 3.368 1.00 0.00 C ATOM 210 CG2 ILE A 13 4.600 -5.107 4.937 1.00 0.00 C ATOM 211 CD1 ILE A 13 7.692 -4.718 4.422 1.00 0.00 C ATOM 0 H ILE A 13 6.533 -7.385 2.112 1.00 0.00 H new ATOM 0 HA ILE A 13 6.310 -7.181 5.038 1.00 0.00 H new ATOM 0 HB ILE A 13 4.731 -5.774 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.011 -5.218 2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.205 -3.830 3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.325 -4.082 4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.698 -5.692 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.218 -5.109 5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.483 -4.068 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.282 -4.299 5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.101 -5.708 4.626 1.00 0.00 H new ATOM 223 N THR A 14 4.106 -8.397 5.336 1.00 0.00 N ATOM 224 CA THR A 14 2.836 -9.089 5.619 1.00 0.00 C ATOM 225 C THR A 14 1.783 -8.181 6.247 1.00 0.00 C ATOM 226 O THR A 14 2.079 -7.500 7.230 1.00 0.00 O ATOM 227 CB THR A 14 3.029 -10.354 6.477 1.00 0.00 C ATOM 228 OG1 THR A 14 4.178 -11.081 6.104 1.00 0.00 O ATOM 229 CG2 THR A 14 1.831 -11.301 6.415 1.00 0.00 C ATOM 0 H THR A 14 4.628 -8.177 6.185 1.00 0.00 H new ATOM 0 HA THR A 14 2.462 -9.396 4.642 1.00 0.00 H new ATOM 0 HB THR A 14 3.140 -9.983 7.496 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.263 -11.874 6.674 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.024 -12.174 7.039 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.941 -10.786 6.777 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.672 -11.619 5.385 1.00 0.00 H new ATOM 237 N LEU A 15 0.553 -8.184 5.725 1.00 0.00 N ATOM 238 CA LEU A 15 -0.582 -7.422 6.267 1.00 0.00 C ATOM 239 C LEU A 15 -1.796 -8.330 6.499 1.00 0.00 C ATOM 240 O LEU A 15 -2.045 -9.247 5.715 1.00 0.00 O ATOM 241 CB LEU A 15 -0.931 -6.269 5.307 1.00 0.00 C ATOM 242 CG LEU A 15 0.113 -5.135 5.278 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.053 -4.292 4.011 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.021 -4.205 6.485 1.00 0.00 C ATOM 0 H LEU A 15 0.311 -8.727 4.896 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.299 -7.006 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.043 -6.671 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.897 -5.852 5.593 1.00 0.00 H new ATOM 0 HG LEU A 15 1.094 -5.610 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.691 -3.495 4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.084 -4.924 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.052 -3.856 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.733 -3.420 6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.014 -3.755 6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.122 -4.776 7.402 1.00 0.00 H new ATOM 256 N GLU A 16 -2.551 -8.048 7.563 1.00 0.00 N ATOM 257 CA GLU A 16 -3.841 -8.674 7.888 1.00 0.00 C ATOM 258 C GLU A 16 -4.970 -7.645 7.694 1.00 0.00 C ATOM 259 O GLU A 16 -4.866 -6.515 8.171 1.00 0.00 O ATOM 260 CB GLU A 16 -3.811 -9.252 9.319 1.00 0.00 C ATOM 261 CG GLU A 16 -5.079 -10.057 9.658 1.00 0.00 C ATOM 262 CD GLU A 16 -5.003 -10.807 11.002 1.00 0.00 C ATOM 263 OE1 GLU A 16 -4.128 -10.506 11.842 1.00 0.00 O ATOM 264 OE2 GLU A 16 -5.818 -11.743 11.197 1.00 0.00 O ATOM 0 H GLU A 16 -2.272 -7.349 8.252 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.031 -9.510 7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.937 -9.894 9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.700 -8.437 10.034 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.933 -9.379 9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.264 -10.777 8.861 1.00 0.00 H new ATOM 271 N VAL A 17 -6.015 -8.021 6.951 1.00 0.00 N ATOM 272 CA VAL A 17 -7.103 -7.135 6.471 1.00 0.00 C ATOM 273 C VAL A 17 -8.416 -7.916 6.293 1.00 0.00 C ATOM 274 O VAL A 17 -8.403 -9.142 6.132 1.00 0.00 O ATOM 275 CB VAL A 17 -6.723 -6.430 5.140 1.00 0.00 C ATOM 276 CG1 VAL A 17 -5.496 -5.517 5.268 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.448 -7.418 3.994 1.00 0.00 C ATOM 0 H VAL A 17 -6.140 -8.988 6.650 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.249 -6.370 7.233 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.602 -5.829 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.284 -5.055 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.696 -4.740 6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.636 -6.106 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.188 -6.865 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.621 -8.073 4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.340 -8.017 3.808 1.00 0.00 H new ATOM 287 N GLU A 18 -9.559 -7.232 6.290 1.00 0.00 N ATOM 288 CA GLU A 18 -10.852 -7.783 5.840 1.00 0.00 C ATOM 289 C GLU A 18 -10.934 -7.767 4.297 1.00 0.00 C ATOM 290 O GLU A 18 -10.404 -6.852 3.670 1.00 0.00 O ATOM 291 CB GLU A 18 -12.009 -6.968 6.448 1.00 0.00 C ATOM 292 CG GLU A 18 -12.265 -7.243 7.945 1.00 0.00 C ATOM 293 CD GLU A 18 -13.335 -8.307 8.249 1.00 0.00 C ATOM 294 OE1 GLU A 18 -14.010 -8.792 7.309 1.00 0.00 O ATOM 295 OE2 GLU A 18 -13.510 -8.645 9.444 1.00 0.00 O ATOM 0 H GLU A 18 -9.622 -6.263 6.604 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.933 -8.816 6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.798 -5.907 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.921 -7.183 5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.327 -7.554 8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.560 -6.309 8.423 1.00 0.00 H new ATOM 302 N PRO A 19 -11.637 -8.701 3.626 1.00 0.00 N ATOM 303 CA PRO A 19 -11.906 -8.581 2.174 1.00 0.00 C ATOM 304 C PRO A 19 -12.788 -7.366 1.833 1.00 0.00 C ATOM 305 O PRO A 19 -12.731 -6.861 0.713 1.00 0.00 O ATOM 306 CB PRO A 19 -12.614 -9.891 1.811 1.00 0.00 C ATOM 307 CG PRO A 19 -13.360 -10.268 3.100 1.00 0.00 C ATOM 308 CD PRO A 19 -12.425 -9.783 4.214 1.00 0.00 C ATOM 0 HA PRO A 19 -10.986 -8.423 1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.301 -9.757 0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.903 -10.664 1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.335 -9.783 3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.534 -11.342 3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.992 -9.431 5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.782 -10.590 4.564 1.00 0.00 H new ATOM 316 N SER A 20 -13.534 -6.893 2.833 1.00 0.00 N ATOM 317 CA SER A 20 -14.367 -5.698 2.815 1.00 0.00 C ATOM 318 C SER A 20 -13.558 -4.401 2.954 1.00 0.00 C ATOM 319 O SER A 20 -14.150 -3.340 2.800 1.00 0.00 O ATOM 320 CB SER A 20 -15.404 -5.828 3.945 1.00 0.00 C ATOM 321 OG SER A 20 -16.158 -7.024 3.791 1.00 0.00 O ATOM 0 H SER A 20 -13.572 -7.369 3.734 1.00 0.00 H new ATOM 0 HA SER A 20 -14.860 -5.629 1.845 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.900 -5.830 4.911 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.071 -4.966 3.936 1.00 0.00 H new ATOM 0 HG SER A 20 -16.812 -7.094 4.517 1.00 0.00 H new ATOM 327 N ASP A 21 -12.261 -4.434 3.269 1.00 0.00 N ATOM 328 CA ASP A 21 -11.481 -3.218 3.444 1.00 0.00 C ATOM 329 C ASP A 21 -11.293 -2.356 2.193 1.00 0.00 C ATOM 330 O ASP A 21 -11.029 -2.805 1.072 1.00 0.00 O ATOM 331 CB ASP A 21 -10.139 -3.503 4.120 1.00 0.00 C ATOM 332 CG ASP A 21 -10.203 -3.696 5.623 1.00 0.00 C ATOM 333 OD1 ASP A 21 -11.159 -3.200 6.240 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.308 -4.299 6.245 1.00 0.00 O ATOM 0 H ASP A 21 -11.732 -5.295 3.407 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.099 -2.608 4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.707 -4.398 3.673 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.459 -2.679 3.904 1.00 0.00 H new ATOM 339 N THR A 22 -11.445 -1.047 2.390 1.00 0.00 N ATOM 340 CA THR A 22 -11.193 -0.010 1.376 1.00 0.00 C ATOM 341 C THR A 22 -9.727 0.309 1.088 1.00 0.00 C ATOM 342 O THR A 22 -8.865 0.179 1.957 1.00 0.00 O ATOM 343 CB THR A 22 -12.027 1.274 1.559 1.00 0.00 C ATOM 344 OG1 THR A 22 -11.322 2.224 2.333 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.398 1.072 2.225 1.00 0.00 C ATOM 0 H THR A 22 -11.755 -0.662 3.282 1.00 0.00 H new ATOM 0 HA THR A 22 -11.554 -0.502 0.473 1.00 0.00 H new ATOM 0 HB THR A 22 -12.202 1.619 0.540 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.867 3.032 2.436 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.907 2.032 2.309 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.000 0.394 1.620 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.260 0.646 3.219 1.00 0.00 H new ATOM 353 N ILE A 23 -9.437 0.775 -0.128 1.00 0.00 N ATOM 354 CA ILE A 23 -8.117 1.278 -0.541 1.00 0.00 C ATOM 355 C ILE A 23 -7.773 2.614 0.159 1.00 0.00 C ATOM 356 O ILE A 23 -6.669 3.120 0.007 1.00 0.00 O ATOM 357 CB ILE A 23 -8.033 1.281 -2.091 1.00 0.00 C ATOM 358 CG1 ILE A 23 -8.401 -0.093 -2.698 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.649 1.687 -2.613 1.00 0.00 C ATOM 360 CD1 ILE A 23 -7.604 -1.305 -2.202 1.00 0.00 C ATOM 0 H ILE A 23 -10.129 0.816 -0.876 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.325 0.610 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.761 2.028 -2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.457 -0.278 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.283 -0.029 -3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.652 1.671 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.410 2.692 -2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.900 0.987 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.959 -2.205 -2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.546 -1.160 -2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.739 -1.413 -1.126 1.00 0.00 H new ATOM 372 N GLU A 24 -8.675 3.211 0.951 1.00 0.00 N ATOM 373 CA GLU A 24 -8.295 4.199 1.983 1.00 0.00 C ATOM 374 C GLU A 24 -7.744 3.481 3.233 1.00 0.00 C ATOM 375 O GLU A 24 -6.641 3.795 3.689 1.00 0.00 O ATOM 376 CB GLU A 24 -9.511 5.086 2.319 1.00 0.00 C ATOM 377 CG GLU A 24 -9.179 6.286 3.223 1.00 0.00 C ATOM 378 CD GLU A 24 -10.422 7.081 3.663 1.00 0.00 C ATOM 379 OE1 GLU A 24 -11.568 6.627 3.449 1.00 0.00 O ATOM 380 OE2 GLU A 24 -10.270 8.167 4.272 1.00 0.00 O ATOM 0 H GLU A 24 -9.677 3.029 0.900 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.502 4.843 1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.947 5.454 1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.270 4.475 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.652 5.930 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.498 6.953 2.694 1.00 0.00 H new ATOM 387 N ASN A 25 -8.478 2.478 3.739 1.00 0.00 N ATOM 388 CA ASN A 25 -8.216 1.767 4.995 1.00 0.00 C ATOM 389 C ASN A 25 -6.900 0.960 4.964 1.00 0.00 C ATOM 390 O ASN A 25 -6.069 1.087 5.864 1.00 0.00 O ATOM 391 CB ASN A 25 -9.436 0.867 5.298 1.00 0.00 C ATOM 392 CG ASN A 25 -9.816 0.937 6.765 1.00 0.00 C ATOM 393 OD1 ASN A 25 -9.100 0.448 7.624 1.00 0.00 O ATOM 394 ND2 ASN A 25 -10.941 1.534 7.085 1.00 0.00 N ATOM 0 H ASN A 25 -9.307 2.126 3.260 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.080 2.496 5.794 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.282 1.178 4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.207 -0.164 5.027 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.227 1.594 8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.529 1.938 6.356 1.00 0.00 H new ATOM 401 N VAL A 26 -6.652 0.174 3.910 1.00 0.00 N ATOM 402 CA VAL A 26 -5.396 -0.595 3.752 1.00 0.00 C ATOM 403 C VAL A 26 -4.171 0.329 3.669 1.00 0.00 C ATOM 404 O VAL A 26 -3.135 0.069 4.286 1.00 0.00 O ATOM 405 CB VAL A 26 -5.458 -1.513 2.513 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.196 -2.375 2.360 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.660 -2.462 2.559 1.00 0.00 C ATOM 0 H VAL A 26 -7.309 0.048 3.140 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.288 -1.217 4.640 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.547 -0.835 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.289 -3.003 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.324 -1.729 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.077 -3.006 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.663 -3.089 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.592 -3.093 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.581 -1.881 2.597 1.00 0.00 H new ATOM 417 N LYS A 27 -4.311 1.457 2.957 1.00 0.00 N ATOM 418 CA LYS A 27 -3.288 2.510 2.848 1.00 0.00 C ATOM 419 C LYS A 27 -3.067 3.311 4.137 1.00 0.00 C ATOM 420 O LYS A 27 -2.048 3.987 4.223 1.00 0.00 O ATOM 421 CB LYS A 27 -3.600 3.425 1.647 1.00 0.00 C ATOM 422 CG LYS A 27 -2.906 2.927 0.369 1.00 0.00 C ATOM 423 CD LYS A 27 -3.513 3.370 -0.974 1.00 0.00 C ATOM 424 CE LYS A 27 -3.792 4.867 -1.194 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.019 5.338 -0.507 1.00 0.00 N ATOM 0 H LYS A 27 -5.158 1.668 2.429 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.338 2.005 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.677 3.463 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.274 4.442 1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.868 3.257 0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.895 1.837 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.843 3.037 -1.767 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.453 2.834 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.939 5.445 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.885 5.060 -2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.555 5.962 -1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.607 4.520 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.756 5.862 0.352 1.00 0.00 H new ATOM 439 N ALA A 28 -3.957 3.209 5.127 1.00 0.00 N ATOM 440 CA ALA A 28 -3.714 3.677 6.496 1.00 0.00 C ATOM 441 C ALA A 28 -2.988 2.608 7.343 1.00 0.00 C ATOM 442 O ALA A 28 -1.912 2.872 7.885 1.00 0.00 O ATOM 443 CB ALA A 28 -5.050 4.103 7.123 1.00 0.00 C ATOM 0 H ALA A 28 -4.880 2.793 5.000 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.049 4.540 6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.879 4.452 8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.489 4.907 6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.731 3.252 7.141 1.00 0.00 H new ATOM 449 N LYS A 29 -3.518 1.373 7.390 1.00 0.00 N ATOM 450 CA LYS A 29 -2.977 0.246 8.183 1.00 0.00 C ATOM 451 C LYS A 29 -1.477 -0.011 7.971 1.00 0.00 C ATOM 452 O LYS A 29 -0.765 -0.333 8.920 1.00 0.00 O ATOM 453 CB LYS A 29 -3.799 -1.026 7.889 1.00 0.00 C ATOM 454 CG LYS A 29 -5.169 -1.045 8.597 1.00 0.00 C ATOM 455 CD LYS A 29 -6.065 -2.173 8.051 1.00 0.00 C ATOM 456 CE LYS A 29 -7.230 -2.579 8.970 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.082 -1.438 9.387 1.00 0.00 N ATOM 0 H LYS A 29 -4.356 1.121 6.866 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.072 0.526 9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.953 -1.110 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.226 -1.900 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.025 -1.179 9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.665 -0.084 8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.472 -1.860 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.446 -3.051 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.848 -3.315 8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.828 -3.066 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.988 -1.796 9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.598 -0.898 10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.258 -0.819 8.570 1.00 0.00 H new ATOM 471 N ILE A 30 -0.974 0.179 6.750 1.00 0.00 N ATOM 472 CA ILE A 30 0.450 -0.023 6.417 1.00 0.00 C ATOM 473 C ILE A 30 1.410 0.923 7.173 1.00 0.00 C ATOM 474 O ILE A 30 2.580 0.578 7.374 1.00 0.00 O ATOM 475 CB ILE A 30 0.641 0.098 4.887 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.966 -0.585 4.488 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.592 1.553 4.385 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.124 -0.793 2.977 1.00 0.00 C ATOM 0 H ILE A 30 -1.540 0.479 5.956 1.00 0.00 H new ATOM 0 HA ILE A 30 0.717 -1.026 6.750 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.196 -0.407 4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.798 0.018 4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.030 -1.552 4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.732 1.570 3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.375 1.991 4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.384 2.130 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.079 -1.278 2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.313 -1.421 2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.093 0.172 2.472 1.00 0.00 H new ATOM 490 N GLN A 31 0.955 2.111 7.587 1.00 0.00 N ATOM 491 CA GLN A 31 1.799 3.082 8.291 1.00 0.00 C ATOM 492 C GLN A 31 1.910 2.806 9.796 1.00 0.00 C ATOM 493 O GLN A 31 2.969 3.035 10.368 1.00 0.00 O ATOM 494 CB GLN A 31 1.331 4.514 7.981 1.00 0.00 C ATOM 495 CG GLN A 31 1.816 4.971 6.589 1.00 0.00 C ATOM 496 CD GLN A 31 0.694 5.450 5.673 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.131 6.273 6.027 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.654 4.991 4.443 1.00 0.00 N ATOM 0 H GLN A 31 -0.005 2.425 7.444 1.00 0.00 H new ATOM 0 HA GLN A 31 2.816 2.970 7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.243 4.561 8.023 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.709 5.196 8.743 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.540 5.776 6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.338 4.144 6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.339 4.301 4.133 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.062 5.324 3.797 1.00 0.00 H new ATOM 507 N ASP A 32 0.871 2.227 10.403 1.00 0.00 N ATOM 508 CA ASP A 32 0.956 1.601 11.731 1.00 0.00 C ATOM 509 C ASP A 32 1.800 0.314 11.756 1.00 0.00 C ATOM 510 O ASP A 32 2.610 0.130 12.666 1.00 0.00 O ATOM 511 CB ASP A 32 -0.461 1.337 12.283 1.00 0.00 C ATOM 512 CG ASP A 32 -0.969 2.281 13.390 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.223 3.125 13.946 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.161 2.125 13.744 1.00 0.00 O ATOM 0 H ASP A 32 -0.059 2.177 9.987 1.00 0.00 H new ATOM 0 HA ASP A 32 1.477 2.309 12.375 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.163 1.383 11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.490 0.318 12.668 1.00 0.00 H new ATOM 519 N LYS A 33 1.622 -0.593 10.779 1.00 0.00 N ATOM 520 CA LYS A 33 2.263 -1.925 10.819 1.00 0.00 C ATOM 521 C LYS A 33 3.778 -1.866 10.567 1.00 0.00 C ATOM 522 O LYS A 33 4.522 -2.576 11.236 1.00 0.00 O ATOM 523 CB LYS A 33 1.571 -2.904 9.844 1.00 0.00 C ATOM 524 CG LYS A 33 1.400 -4.340 10.389 1.00 0.00 C ATOM 525 CD LYS A 33 2.648 -4.980 11.026 1.00 0.00 C ATOM 526 CE LYS A 33 2.363 -6.414 11.483 1.00 0.00 C ATOM 527 NZ LYS A 33 3.423 -6.914 12.399 1.00 0.00 N ATOM 0 H LYS A 33 1.043 -0.432 9.955 1.00 0.00 H new ATOM 0 HA LYS A 33 2.134 -2.302 11.833 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.589 -2.507 9.587 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.149 -2.946 8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.603 -4.331 11.132 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.067 -4.979 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.467 -4.981 10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.972 -4.382 11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.397 -6.451 11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.294 -7.067 10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.200 -7.887 12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.340 -6.901 11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.471 -6.304 13.240 1.00 0.00 H new ATOM 541 N GLU A 34 4.226 -1.056 9.605 1.00 0.00 N ATOM 542 CA GLU A 34 5.644 -0.960 9.214 1.00 0.00 C ATOM 543 C GLU A 34 6.135 0.494 9.089 1.00 0.00 C ATOM 544 O GLU A 34 7.218 0.819 9.577 1.00 0.00 O ATOM 545 CB GLU A 34 5.845 -1.740 7.901 1.00 0.00 C ATOM 546 CG GLU A 34 7.295 -1.791 7.389 1.00 0.00 C ATOM 547 CD GLU A 34 8.268 -2.584 8.284 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.818 -3.255 9.247 1.00 0.00 O ATOM 549 OE2 GLU A 34 9.495 -2.534 8.052 1.00 0.00 O ATOM 0 H GLU A 34 3.614 -0.441 9.068 1.00 0.00 H new ATOM 0 HA GLU A 34 6.251 -1.401 10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.490 -2.761 8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.219 -1.291 7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.298 -2.232 6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.666 -0.771 7.287 1.00 0.00 H new ATOM 556 N GLY A 35 5.331 1.372 8.475 1.00 0.00 N ATOM 557 CA GLY A 35 5.703 2.771 8.216 1.00 0.00 C ATOM 558 C GLY A 35 6.025 3.065 6.747 1.00 0.00 C ATOM 559 O GLY A 35 7.100 3.573 6.444 1.00 0.00 O ATOM 0 H GLY A 35 4.398 1.131 8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.887 3.419 8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.570 3.025 8.826 1.00 0.00 H new ATOM 563 N ILE A 36 5.103 2.758 5.822 1.00 0.00 N ATOM 564 CA ILE A 36 5.231 3.058 4.377 1.00 0.00 C ATOM 565 C ILE A 36 4.336 4.266 3.993 1.00 0.00 C ATOM 566 O ILE A 36 3.203 4.056 3.551 1.00 0.00 O ATOM 567 CB ILE A 36 4.918 1.789 3.535 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.679 0.520 3.997 1.00 0.00 C ATOM 569 CG2 ILE A 36 5.164 2.016 2.032 1.00 0.00 C ATOM 570 CD1 ILE A 36 7.213 0.613 3.961 1.00 0.00 C ATOM 0 H ILE A 36 4.230 2.286 6.056 1.00 0.00 H new ATOM 0 HA ILE A 36 6.259 3.344 4.155 1.00 0.00 H new ATOM 0 HB ILE A 36 3.857 1.608 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.371 0.285 5.016 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.369 -0.316 3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.932 1.103 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.525 2.825 1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.209 2.281 1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.643 -0.328 4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.542 0.812 2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.544 1.422 4.613 1.00 0.00 H new ATOM 582 N PRO A 37 4.778 5.530 4.185 1.00 0.00 N ATOM 583 CA PRO A 37 3.990 6.730 3.874 1.00 0.00 C ATOM 584 C PRO A 37 3.995 7.102 2.376 1.00 0.00 C ATOM 585 O PRO A 37 4.956 6.794 1.659 1.00 0.00 O ATOM 586 CB PRO A 37 4.620 7.849 4.711 1.00 0.00 C ATOM 587 CG PRO A 37 6.093 7.449 4.742 1.00 0.00 C ATOM 588 CD PRO A 37 6.010 5.929 4.854 1.00 0.00 C ATOM 0 HA PRO A 37 2.939 6.560 4.109 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.475 8.828 4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.191 7.897 5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.620 7.763 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.618 7.892 5.588 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.875 5.458 4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.003 5.617 5.898 1.00 0.00 H new ATOM 596 N PRO A 38 2.973 7.838 1.892 1.00 0.00 N ATOM 597 CA PRO A 38 2.857 8.222 0.483 1.00 0.00 C ATOM 598 C PRO A 38 3.919 9.240 0.026 1.00 0.00 C ATOM 599 O PRO A 38 4.268 9.267 -1.152 1.00 0.00 O ATOM 600 CB PRO A 38 1.442 8.791 0.335 1.00 0.00 C ATOM 601 CG PRO A 38 1.126 9.336 1.729 1.00 0.00 C ATOM 602 CD PRO A 38 1.823 8.330 2.643 1.00 0.00 C ATOM 0 HA PRO A 38 3.031 7.356 -0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.402 9.576 -0.421 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.730 8.022 0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.513 10.346 1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.053 9.377 1.915 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.137 8.801 3.575 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.152 7.513 2.909 1.00 0.00 H new ATOM 610 N ASP A 39 4.462 10.068 0.926 1.00 0.00 N ATOM 611 CA ASP A 39 5.527 11.065 0.657 1.00 0.00 C ATOM 612 C ASP A 39 6.954 10.524 0.381 1.00 0.00 C ATOM 613 O ASP A 39 7.948 11.252 0.392 1.00 0.00 O ATOM 614 CB ASP A 39 5.439 12.257 1.637 1.00 0.00 C ATOM 615 CG ASP A 39 4.308 13.266 1.350 1.00 0.00 C ATOM 616 OD1 ASP A 39 3.668 13.185 0.271 1.00 0.00 O ATOM 617 OD2 ASP A 39 4.098 14.137 2.218 1.00 0.00 O ATOM 0 H ASP A 39 4.166 10.069 1.902 1.00 0.00 H new ATOM 0 HA ASP A 39 5.301 11.454 -0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.308 11.867 2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.390 12.789 1.622 1.00 0.00 H new ATOM 622 N GLN A 40 7.059 9.224 0.094 1.00 0.00 N ATOM 623 CA GLN A 40 8.321 8.551 -0.233 1.00 0.00 C ATOM 624 C GLN A 40 8.122 7.437 -1.281 1.00 0.00 C ATOM 625 O GLN A 40 8.889 7.336 -2.237 1.00 0.00 O ATOM 626 CB GLN A 40 8.917 8.015 1.090 1.00 0.00 C ATOM 627 CG GLN A 40 10.388 7.572 1.000 1.00 0.00 C ATOM 628 CD GLN A 40 11.425 8.656 1.323 1.00 0.00 C ATOM 629 OE1 GLN A 40 12.544 8.362 1.723 1.00 0.00 O ATOM 630 NE2 GLN A 40 11.158 9.924 1.095 1.00 0.00 N ATOM 0 H GLN A 40 6.255 8.597 0.082 1.00 0.00 H new ATOM 0 HA GLN A 40 9.016 9.254 -0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.831 8.790 1.852 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.317 7.169 1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.539 6.734 1.681 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.577 7.202 -0.008 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.234 10.199 0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.875 10.632 1.252 1.00 0.00 H new ATOM 639 N ASN A 41 7.083 6.613 -1.138 1.00 0.00 N ATOM 640 CA ASN A 41 6.929 5.325 -1.831 1.00 0.00 C ATOM 641 C ASN A 41 5.446 4.886 -1.914 1.00 0.00 C ATOM 642 O ASN A 41 4.631 5.388 -1.140 1.00 0.00 O ATOM 643 CB ASN A 41 7.814 4.269 -1.124 1.00 0.00 C ATOM 644 CG ASN A 41 7.988 4.397 0.382 1.00 0.00 C ATOM 645 OD1 ASN A 41 9.081 4.245 0.893 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.975 4.716 1.152 1.00 0.00 N ATOM 0 H ASN A 41 6.300 6.826 -0.520 1.00 0.00 H new ATOM 0 HA ASN A 41 7.261 5.431 -2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.395 3.284 -1.332 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.803 4.298 -1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.114 4.831 2.156 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.048 4.849 0.747 1.00 0.00 H new ATOM 653 N ARG A 42 5.068 3.976 -2.832 1.00 0.00 N ATOM 654 CA ARG A 42 3.663 3.703 -3.200 1.00 0.00 C ATOM 655 C ARG A 42 3.458 2.274 -3.726 1.00 0.00 C ATOM 656 O ARG A 42 4.308 1.740 -4.436 1.00 0.00 O ATOM 657 CB ARG A 42 3.200 4.767 -4.219 1.00 0.00 C ATOM 658 CG ARG A 42 3.887 4.671 -5.595 1.00 0.00 C ATOM 659 CD ARG A 42 3.818 6.006 -6.350 1.00 0.00 C ATOM 660 NE ARG A 42 4.101 5.819 -7.788 1.00 0.00 N ATOM 661 CZ ARG A 42 3.240 6.044 -8.768 1.00 0.00 C ATOM 662 NH1 ARG A 42 2.162 6.750 -8.612 1.00 0.00 N ATOM 663 NH2 ARG A 42 3.414 5.555 -9.959 1.00 0.00 N ATOM 0 H ARG A 42 5.737 3.402 -3.346 1.00 0.00 H new ATOM 0 HA ARG A 42 3.047 3.770 -2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.123 4.676 -4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.385 5.757 -3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.929 4.379 -5.464 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.410 3.891 -6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.829 6.447 -6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.536 6.706 -5.923 1.00 0.00 H new ATOM 0 HE ARG A 42 5.032 5.491 -8.046 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.948 7.160 -7.703 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.529 6.895 -9.399 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.232 4.980 -10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.732 5.746 -10.693 1.00 0.00 H new ATOM 677 N LEU A 43 2.337 1.653 -3.358 1.00 0.00 N ATOM 678 CA LEU A 43 1.996 0.265 -3.706 1.00 0.00 C ATOM 679 C LEU A 43 1.504 0.155 -5.159 1.00 0.00 C ATOM 680 O LEU A 43 0.554 0.837 -5.544 1.00 0.00 O ATOM 681 CB LEU A 43 0.911 -0.252 -2.732 1.00 0.00 C ATOM 682 CG LEU A 43 1.450 -0.960 -1.473 1.00 0.00 C ATOM 683 CD1 LEU A 43 2.448 -0.122 -0.672 1.00 0.00 C ATOM 684 CD2 LEU A 43 0.290 -1.299 -0.534 1.00 0.00 C ATOM 0 H LEU A 43 1.619 2.110 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 43 2.894 -0.347 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.293 0.590 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.261 -0.943 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 43 1.965 -1.849 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.782 -0.687 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.306 0.119 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.968 0.800 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.675 -1.799 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.221 -0.382 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.412 -1.958 -1.046 1.00 0.00 H new ATOM 696 N ILE A 44 2.118 -0.747 -5.926 1.00 0.00 N ATOM 697 CA ILE A 44 1.651 -1.163 -7.268 1.00 0.00 C ATOM 698 C ILE A 44 1.102 -2.603 -7.253 1.00 0.00 C ATOM 699 O ILE A 44 1.684 -3.496 -6.641 1.00 0.00 O ATOM 700 CB ILE A 44 2.779 -1.008 -8.316 1.00 0.00 C ATOM 701 CG1 ILE A 44 3.436 0.387 -8.301 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.291 -1.337 -9.740 1.00 0.00 C ATOM 703 CD1 ILE A 44 2.518 1.581 -8.595 1.00 0.00 C ATOM 0 H ILE A 44 2.971 -1.224 -5.635 1.00 0.00 H new ATOM 0 HA ILE A 44 0.831 -0.504 -7.553 1.00 0.00 H new ATOM 0 HB ILE A 44 3.539 -1.733 -8.025 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.890 0.539 -7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.245 0.391 -9.032 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.114 -1.215 -10.444 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.934 -2.366 -9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.479 -0.662 -10.011 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.097 2.504 -8.555 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.082 1.469 -9.588 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.722 1.620 -7.851 1.00 0.00 H new ATOM 715 N PHE A 45 0.023 -2.870 -7.996 1.00 0.00 N ATOM 716 CA PHE A 45 -0.507 -4.218 -8.235 1.00 0.00 C ATOM 717 C PHE A 45 -0.637 -4.579 -9.721 1.00 0.00 C ATOM 718 O PHE A 45 -1.421 -3.956 -10.432 1.00 0.00 O ATOM 719 CB PHE A 45 -1.758 -4.470 -7.386 1.00 0.00 C ATOM 720 CG PHE A 45 -2.536 -5.733 -7.717 1.00 0.00 C ATOM 721 CD1 PHE A 45 -2.110 -6.971 -7.202 1.00 0.00 C ATOM 722 CD2 PHE A 45 -3.697 -5.671 -8.507 1.00 0.00 C ATOM 723 CE1 PHE A 45 -2.848 -8.138 -7.464 1.00 0.00 C ATOM 724 CE2 PHE A 45 -4.437 -6.837 -8.766 1.00 0.00 C ATOM 725 CZ PHE A 45 -4.014 -8.069 -8.243 1.00 0.00 C ATOM 0 H PHE A 45 -0.519 -2.140 -8.458 1.00 0.00 H new ATOM 0 HA PHE A 45 0.238 -4.934 -7.888 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.461 -4.513 -6.338 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.426 -3.615 -7.494 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.213 -7.025 -6.603 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.021 -4.725 -8.916 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.519 -9.087 -7.067 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.332 -6.785 -9.368 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.586 -8.964 -8.440 1.00 0.00 H new ATOM 735 N ALA A 46 0.189 -5.513 -10.210 1.00 0.00 N ATOM 736 CA ALA A 46 0.255 -5.916 -11.624 1.00 0.00 C ATOM 737 C ALA A 46 0.306 -4.720 -12.614 1.00 0.00 C ATOM 738 O ALA A 46 -0.421 -4.663 -13.601 1.00 0.00 O ATOM 739 CB ALA A 46 -0.863 -6.928 -11.910 1.00 0.00 C ATOM 0 H ALA A 46 0.847 -6.023 -9.620 1.00 0.00 H new ATOM 0 HA ALA A 46 1.210 -6.412 -11.801 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.820 -7.231 -12.956 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.733 -7.803 -11.273 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.830 -6.469 -11.704 1.00 0.00 H new ATOM 745 N GLY A 47 1.132 -3.709 -12.313 1.00 0.00 N ATOM 746 CA GLY A 47 1.272 -2.484 -13.115 1.00 0.00 C ATOM 747 C GLY A 47 0.150 -1.439 -12.953 1.00 0.00 C ATOM 748 O GLY A 47 0.370 -0.274 -13.300 1.00 0.00 O ATOM 0 H GLY A 47 1.734 -3.719 -11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.221 -2.012 -12.859 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.330 -2.766 -14.166 1.00 0.00 H new ATOM 752 N LYS A 48 -1.014 -1.799 -12.389 1.00 0.00 N ATOM 753 CA LYS A 48 -2.044 -0.847 -11.934 1.00 0.00 C ATOM 754 C LYS A 48 -1.613 -0.178 -10.620 1.00 0.00 C ATOM 755 O LYS A 48 -1.153 -0.827 -9.680 1.00 0.00 O ATOM 756 CB LYS A 48 -3.420 -1.541 -11.795 1.00 0.00 C ATOM 757 CG LYS A 48 -4.399 -1.309 -12.968 1.00 0.00 C ATOM 758 CD LYS A 48 -5.135 0.048 -12.934 1.00 0.00 C ATOM 759 CE LYS A 48 -6.299 0.066 -13.946 1.00 0.00 C ATOM 760 NZ LYS A 48 -7.135 1.298 -13.862 1.00 0.00 N ATOM 0 H LYS A 48 -1.271 -2.774 -12.233 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.150 -0.067 -12.688 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.258 -2.613 -11.685 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.892 -1.194 -10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.847 -1.384 -13.905 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.139 -2.109 -12.969 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.517 0.234 -11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.436 0.852 -13.163 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.896 -0.023 -14.955 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.931 -0.806 -13.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.898 1.248 -14.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.547 1.374 -12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.544 2.132 -14.051 1.00 0.00 H new ATOM 774 N GLN A 49 -1.797 1.137 -10.552 1.00 0.00 N ATOM 775 CA GLN A 49 -1.735 1.915 -9.309 1.00 0.00 C ATOM 776 C GLN A 49 -3.040 1.671 -8.516 1.00 0.00 C ATOM 777 O GLN A 49 -4.064 1.339 -9.114 1.00 0.00 O ATOM 778 CB GLN A 49 -1.584 3.415 -9.661 1.00 0.00 C ATOM 779 CG GLN A 49 -0.477 3.717 -10.696 1.00 0.00 C ATOM 780 CD GLN A 49 -0.340 5.201 -11.048 1.00 0.00 C ATOM 781 OE1 GLN A 49 0.672 5.828 -10.770 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.362 5.849 -11.566 1.00 0.00 N ATOM 0 H GLN A 49 -1.998 1.707 -11.373 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.882 1.611 -8.702 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.535 3.783 -10.046 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.373 3.971 -8.748 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.476 3.357 -10.309 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.683 3.156 -11.607 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.216 5.346 -11.806 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.300 6.854 -11.728 1.00 0.00 H new ATOM 791 N LEU A 50 -3.030 1.872 -7.193 1.00 0.00 N ATOM 792 CA LEU A 50 -4.180 1.607 -6.313 1.00 0.00 C ATOM 793 C LEU A 50 -4.667 2.896 -5.633 1.00 0.00 C ATOM 794 O LEU A 50 -4.096 3.368 -4.647 1.00 0.00 O ATOM 795 CB LEU A 50 -3.827 0.506 -5.295 1.00 0.00 C ATOM 796 CG LEU A 50 -3.526 -0.878 -5.905 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.192 -1.848 -4.775 1.00 0.00 C ATOM 798 CD2 LEU A 50 -4.713 -1.458 -6.675 1.00 0.00 C ATOM 0 H LEU A 50 -2.214 2.228 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.010 1.243 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.959 0.829 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.654 0.404 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.697 -0.749 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.977 -2.832 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.320 -1.486 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.040 -1.920 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.442 -2.432 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.564 -1.569 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.981 -0.786 -7.491 1.00 0.00 H new ATOM 810 N GLU A 51 -5.726 3.477 -6.192 1.00 0.00 N ATOM 811 CA GLU A 51 -6.363 4.712 -5.714 1.00 0.00 C ATOM 812 C GLU A 51 -7.510 4.419 -4.723 1.00 0.00 C ATOM 813 O GLU A 51 -8.234 3.431 -4.881 1.00 0.00 O ATOM 814 CB GLU A 51 -6.840 5.493 -6.949 1.00 0.00 C ATOM 815 CG GLU A 51 -7.170 6.968 -6.672 1.00 0.00 C ATOM 816 CD GLU A 51 -7.605 7.738 -7.935 1.00 0.00 C ATOM 817 OE1 GLU A 51 -7.604 7.152 -9.048 1.00 0.00 O ATOM 818 OE2 GLU A 51 -8.012 8.917 -7.807 1.00 0.00 O ATOM 0 H GLU A 51 -6.183 3.092 -7.018 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.648 5.314 -5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.068 5.443 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.726 5.004 -7.355 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.965 7.023 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.296 7.455 -6.240 1.00 0.00 H new ATOM 825 N ASP A 52 -7.664 5.273 -3.705 1.00 0.00 N ATOM 826 CA ASP A 52 -8.771 5.241 -2.738 1.00 0.00 C ATOM 827 C ASP A 52 -10.201 5.375 -3.301 1.00 0.00 C ATOM 828 O ASP A 52 -10.410 5.725 -4.459 1.00 0.00 O ATOM 829 CB ASP A 52 -8.503 6.096 -1.477 1.00 0.00 C ATOM 830 CG ASP A 52 -7.660 7.359 -1.670 1.00 0.00 C ATOM 831 OD1 ASP A 52 -6.443 7.213 -1.944 1.00 0.00 O ATOM 832 OD2 ASP A 52 -8.142 8.482 -1.411 1.00 0.00 O ATOM 0 H ASP A 52 -7.003 6.029 -3.524 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.770 4.201 -2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.464 6.389 -1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.008 5.466 -0.738 1.00 0.00 H new ATOM 837 N GLY A 53 -11.200 5.027 -2.480 1.00 0.00 N ATOM 838 CA GLY A 53 -12.621 4.977 -2.857 1.00 0.00 C ATOM 839 C GLY A 53 -13.118 3.606 -3.333 1.00 0.00 C ATOM 840 O GLY A 53 -14.329 3.382 -3.359 1.00 0.00 O ATOM 0 H GLY A 53 -11.039 4.765 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.220 5.286 -2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.797 5.705 -3.649 1.00 0.00 H new ATOM 844 N ARG A 54 -12.205 2.677 -3.659 1.00 0.00 N ATOM 845 CA ARG A 54 -12.483 1.265 -3.999 1.00 0.00 C ATOM 846 C ARG A 54 -12.253 0.304 -2.823 1.00 0.00 C ATOM 847 O ARG A 54 -11.725 0.708 -1.786 1.00 0.00 O ATOM 848 CB ARG A 54 -11.607 0.859 -5.194 1.00 0.00 C ATOM 849 CG ARG A 54 -11.868 1.716 -6.440 1.00 0.00 C ATOM 850 CD ARG A 54 -11.661 0.929 -7.747 1.00 0.00 C ATOM 851 NE ARG A 54 -11.413 1.804 -8.914 1.00 0.00 N ATOM 852 CZ ARG A 54 -12.129 2.848 -9.297 1.00 0.00 C ATOM 853 NH1 ARG A 54 -13.307 3.120 -8.822 1.00 0.00 N ATOM 854 NH2 ARG A 54 -11.674 3.683 -10.177 1.00 0.00 N ATOM 0 H ARG A 54 -11.209 2.895 -3.695 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.540 1.189 -4.253 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.557 0.943 -4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.790 -0.188 -5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.888 2.099 -6.407 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.203 2.579 -6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.819 0.247 -7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.542 0.316 -7.939 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.600 1.577 -9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.725 2.514 -8.116 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.814 3.940 -9.155 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.750 3.540 -10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.239 4.483 -10.461 1.00 0.00 H new ATOM 868 N THR A 55 -12.590 -0.974 -3.005 1.00 0.00 N ATOM 869 CA THR A 55 -12.200 -2.121 -2.142 1.00 0.00 C ATOM 870 C THR A 55 -11.040 -2.980 -2.669 1.00 0.00 C ATOM 871 O THR A 55 -10.620 -2.815 -3.815 1.00 0.00 O ATOM 872 CB THR A 55 -13.402 -2.978 -1.685 1.00 0.00 C ATOM 873 OG1 THR A 55 -13.634 -4.028 -2.593 1.00 0.00 O ATOM 874 CG2 THR A 55 -14.723 -2.220 -1.542 1.00 0.00 C ATOM 0 H THR A 55 -13.170 -1.265 -3.792 1.00 0.00 H new ATOM 0 HA THR A 55 -11.796 -1.636 -1.253 1.00 0.00 H new ATOM 0 HB THR A 55 -13.110 -3.333 -0.697 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.397 -4.562 -2.288 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.504 -2.908 -1.217 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.609 -1.426 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 55 -14.999 -1.785 -2.503 1.00 0.00 H new ATOM 882 N LEU A 56 -10.525 -3.917 -1.860 1.00 0.00 N ATOM 883 CA LEU A 56 -9.603 -4.967 -2.328 1.00 0.00 C ATOM 884 C LEU A 56 -10.257 -5.859 -3.399 1.00 0.00 C ATOM 885 O LEU A 56 -9.702 -6.017 -4.490 1.00 0.00 O ATOM 886 CB LEU A 56 -9.169 -5.824 -1.128 1.00 0.00 C ATOM 887 CG LEU A 56 -8.178 -5.128 -0.176 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.032 -5.959 1.093 1.00 0.00 C ATOM 889 CD2 LEU A 56 -6.792 -4.988 -0.813 1.00 0.00 C ATOM 0 H LEU A 56 -10.734 -3.970 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.736 -4.488 -2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.055 -6.112 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.714 -6.743 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.570 -4.135 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.331 -5.470 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.002 -6.052 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.658 -6.950 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.118 -4.493 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.401 -5.976 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.869 -4.395 -1.724 1.00 0.00 H new ATOM 901 N SER A 57 -11.445 -6.407 -3.106 1.00 0.00 N ATOM 902 CA SER A 57 -12.220 -7.206 -4.074 1.00 0.00 C ATOM 903 C SER A 57 -12.551 -6.432 -5.370 1.00 0.00 C ATOM 904 O SER A 57 -12.663 -7.089 -6.401 1.00 0.00 O ATOM 905 CB SER A 57 -13.531 -7.656 -3.407 1.00 0.00 C ATOM 906 OG SER A 57 -14.286 -8.482 -4.277 1.00 0.00 O ATOM 0 H SER A 57 -11.897 -6.311 -2.196 1.00 0.00 H new ATOM 0 HA SER A 57 -11.605 -8.059 -4.360 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.308 -8.198 -2.488 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.120 -6.782 -3.127 1.00 0.00 H new ATOM 0 HG SER A 57 -15.114 -8.757 -3.831 1.00 0.00 H new ATOM 912 N ASP A 58 -12.662 -5.098 -5.310 1.00 0.00 N ATOM 913 CA ASP A 58 -12.939 -4.213 -6.451 1.00 0.00 C ATOM 914 C ASP A 58 -11.771 -4.297 -7.440 1.00 0.00 C ATOM 915 O ASP A 58 -11.950 -4.285 -8.652 1.00 0.00 O ATOM 916 CB ASP A 58 -13.059 -2.777 -5.931 1.00 0.00 C ATOM 917 CG ASP A 58 -14.258 -1.971 -6.399 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.278 -2.551 -6.818 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.195 -0.736 -6.249 1.00 0.00 O ATOM 0 H ASP A 58 -12.558 -4.586 -4.434 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.862 -4.510 -6.949 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.079 -2.812 -4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.156 -2.237 -6.216 1.00 0.00 H new ATOM 924 N TYR A 59 -10.535 -4.329 -6.936 1.00 0.00 N ATOM 925 CA TYR A 59 -9.311 -4.562 -7.715 1.00 0.00 C ATOM 926 C TYR A 59 -8.973 -6.026 -8.080 1.00 0.00 C ATOM 927 O TYR A 59 -7.879 -6.352 -8.547 1.00 0.00 O ATOM 928 CB TYR A 59 -8.118 -3.774 -7.145 1.00 0.00 C ATOM 929 CG TYR A 59 -8.111 -2.272 -7.400 1.00 0.00 C ATOM 930 CD1 TYR A 59 -7.671 -1.740 -8.632 1.00 0.00 C ATOM 931 CD2 TYR A 59 -8.483 -1.390 -6.363 1.00 0.00 C ATOM 932 CE1 TYR A 59 -7.577 -0.342 -8.817 1.00 0.00 C ATOM 933 CE2 TYR A 59 -8.371 0.006 -6.537 1.00 0.00 C ATOM 934 CZ TYR A 59 -7.930 0.535 -7.766 1.00 0.00 C ATOM 935 OH TYR A 59 -7.849 1.889 -7.922 1.00 0.00 O ATOM 0 H TYR A 59 -10.350 -4.189 -5.943 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.549 -4.154 -8.697 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.085 -3.937 -6.068 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.202 -4.195 -7.560 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.404 -2.406 -9.439 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.856 -1.786 -5.430 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.236 0.056 -9.761 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.624 0.671 -5.725 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.133 2.331 -7.095 1.00 0.00 H new ATOM 945 N ASN A 60 -9.913 -6.949 -7.820 1.00 0.00 N ATOM 946 CA ASN A 60 -9.764 -8.421 -7.916 1.00 0.00 C ATOM 947 C ASN A 60 -8.687 -8.991 -6.952 1.00 0.00 C ATOM 948 O ASN A 60 -8.142 -10.074 -7.178 1.00 0.00 O ATOM 949 CB ASN A 60 -9.566 -8.823 -9.403 1.00 0.00 C ATOM 950 CG ASN A 60 -10.091 -10.204 -9.790 1.00 0.00 C ATOM 951 OD1 ASN A 60 -10.953 -10.342 -10.643 1.00 0.00 O ATOM 952 ND2 ASN A 60 -9.572 -11.261 -9.211 1.00 0.00 N ATOM 0 H ASN A 60 -10.850 -6.680 -7.521 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.684 -8.890 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.057 -8.079 -10.030 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.501 -8.781 -9.633 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.889 -12.194 -9.474 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.851 -11.150 -8.498 1.00 0.00 H new ATOM 959 N ILE A 61 -8.357 -8.283 -5.864 1.00 0.00 N ATOM 960 CA ILE A 61 -7.299 -8.676 -4.911 1.00 0.00 C ATOM 961 C ILE A 61 -7.852 -9.653 -3.857 1.00 0.00 C ATOM 962 O ILE A 61 -8.674 -9.281 -3.018 1.00 0.00 O ATOM 963 CB ILE A 61 -6.634 -7.434 -4.263 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.182 -6.417 -5.340 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.442 -7.881 -3.398 1.00 0.00 C ATOM 966 CD1 ILE A 61 -5.490 -5.156 -4.806 1.00 0.00 C ATOM 0 H ILE A 61 -8.820 -7.409 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.518 -9.199 -5.463 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.367 -6.934 -3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.502 -6.920 -6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.055 -6.114 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.975 -7.008 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.792 -8.554 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.713 -8.398 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.214 -4.511 -5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.170 -4.621 -4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.594 -5.439 -4.254 1.00 0.00 H new ATOM 978 N GLN A 62 -7.405 -10.912 -3.905 1.00 0.00 N ATOM 979 CA GLN A 62 -7.787 -11.988 -2.970 1.00 0.00 C ATOM 980 C GLN A 62 -6.733 -12.222 -1.862 1.00 0.00 C ATOM 981 O GLN A 62 -5.744 -11.490 -1.744 1.00 0.00 O ATOM 982 CB GLN A 62 -8.114 -13.266 -3.778 1.00 0.00 C ATOM 983 CG GLN A 62 -6.927 -13.918 -4.512 1.00 0.00 C ATOM 984 CD GLN A 62 -6.600 -13.245 -5.837 1.00 0.00 C ATOM 985 OE1 GLN A 62 -5.819 -12.309 -5.897 1.00 0.00 O ATOM 986 NE2 GLN A 62 -7.306 -13.570 -6.896 1.00 0.00 N ATOM 0 H GLN A 62 -6.746 -11.226 -4.617 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.683 -11.683 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.545 -14.002 -3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.881 -13.022 -4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.048 -13.886 -3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.152 -14.969 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.960 -14.351 -6.853 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.200 -13.041 -7.762 1.00 0.00 H new ATOM 995 N LYS A 63 -6.934 -13.258 -1.031 1.00 0.00 N ATOM 996 CA LYS A 63 -5.943 -13.736 -0.042 1.00 0.00 C ATOM 997 C LYS A 63 -4.662 -14.227 -0.734 1.00 0.00 C ATOM 998 O LYS A 63 -4.713 -14.625 -1.893 1.00 0.00 O ATOM 999 CB LYS A 63 -6.587 -14.839 0.836 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.474 -16.253 0.238 1.00 0.00 C ATOM 1001 CD LYS A 63 -7.351 -17.298 0.945 1.00 0.00 C ATOM 1002 CE LYS A 63 -6.923 -18.748 0.650 1.00 0.00 C ATOM 1003 NZ LYS A 63 -6.663 -18.995 -0.788 1.00 0.00 N ATOM 0 H LYS A 63 -7.800 -13.797 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.649 -12.908 0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.114 -14.831 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.640 -14.602 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.749 -16.215 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.434 -16.575 0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.314 -17.127 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.388 -17.162 0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.023 -18.979 1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.702 -19.428 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.630 -20.019 -0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.424 -18.571 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.753 -18.569 -1.054 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.544 -14.277 -0.007 1.00 0.00 N ATOM 1018 CA GLU A 64 -2.223 -14.748 -0.503 1.00 0.00 C ATOM 1019 C GLU A 64 -1.631 -13.917 -1.666 1.00 0.00 C ATOM 1020 O GLU A 64 -0.608 -14.275 -2.232 1.00 0.00 O ATOM 1021 CB GLU A 64 -2.262 -16.273 -0.830 1.00 0.00 C ATOM 1022 CG GLU A 64 -2.609 -17.198 0.347 1.00 0.00 C ATOM 1023 CD GLU A 64 -3.405 -18.472 -0.021 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -4.010 -18.558 -1.120 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -3.521 -19.374 0.847 1.00 0.00 O ATOM 0 H GLU A 64 -3.518 -13.986 0.970 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.527 -14.586 0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.990 -16.437 -1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.289 -16.566 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.682 -17.498 0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.185 -16.629 1.077 1.00 0.00 H new ATOM 1032 N SER A 65 -2.256 -12.788 -2.011 1.00 0.00 N ATOM 1033 CA SER A 65 -1.911 -11.953 -3.164 1.00 0.00 C ATOM 1034 C SER A 65 -0.628 -11.132 -3.011 1.00 0.00 C ATOM 1035 O SER A 65 -0.216 -10.763 -1.905 1.00 0.00 O ATOM 1036 CB SER A 65 -3.088 -11.056 -3.512 1.00 0.00 C ATOM 1037 OG SER A 65 -3.467 -10.250 -2.414 1.00 0.00 O ATOM 0 H SER A 65 -3.042 -12.418 -1.477 1.00 0.00 H new ATOM 0 HA SER A 65 -1.698 -12.643 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.825 -10.421 -4.358 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.934 -11.668 -3.824 1.00 0.00 H new ATOM 0 HG SER A 65 -4.129 -10.727 -1.871 1.00 0.00 H new ATOM 1043 N THR A 66 -0.017 -10.815 -4.161 1.00 0.00 N ATOM 1044 CA THR A 66 1.311 -10.187 -4.283 1.00 0.00 C ATOM 1045 C THR A 66 1.352 -8.796 -4.915 1.00 0.00 C ATOM 1046 O THR A 66 1.181 -8.666 -6.127 1.00 0.00 O ATOM 1047 CB THR A 66 2.365 -11.114 -4.931 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.032 -12.484 -4.833 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.759 -10.919 -4.333 1.00 0.00 C ATOM 0 H THR A 66 -0.448 -10.995 -5.068 1.00 0.00 H new ATOM 0 HA THR A 66 1.579 -10.026 -3.239 1.00 0.00 H new ATOM 0 HB THR A 66 2.372 -10.825 -5.982 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.731 -13.022 -5.260 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.462 -11.593 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.079 -9.888 -4.485 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.731 -11.137 -3.265 1.00 0.00 H new ATOM 1057 N LEU A 67 1.603 -7.754 -4.121 1.00 0.00 N ATOM 1058 CA LEU A 67 1.827 -6.383 -4.597 1.00 0.00 C ATOM 1059 C LEU A 67 3.328 -6.093 -4.755 1.00 0.00 C ATOM 1060 O LEU A 67 4.137 -6.562 -3.957 1.00 0.00 O ATOM 1061 CB LEU A 67 1.183 -5.376 -3.625 1.00 0.00 C ATOM 1062 CG LEU A 67 -0.354 -5.477 -3.544 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -0.840 -6.372 -2.399 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -0.941 -4.088 -3.307 1.00 0.00 C ATOM 0 H LEU A 67 1.658 -7.839 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 67 1.360 -6.278 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.600 -5.530 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.455 -4.366 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.682 -5.912 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.930 -6.401 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.451 -7.381 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.486 -5.972 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.027 -4.157 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.553 -3.684 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.662 -3.430 -4.130 1.00 0.00 H new ATOM 1076 N HIS A 68 3.705 -5.257 -5.724 1.00 0.00 N ATOM 1077 CA HIS A 68 4.973 -4.539 -5.688 1.00 0.00 C ATOM 1078 C HIS A 68 4.843 -3.296 -4.869 1.00 0.00 C ATOM 1079 O HIS A 68 3.794 -2.672 -4.712 1.00 0.00 O ATOM 1080 CB HIS A 68 5.529 -4.198 -7.076 1.00 0.00 C ATOM 1081 CG HIS A 68 6.306 -5.332 -7.715 1.00 0.00 C ATOM 1082 ND1 HIS A 68 5.818 -6.542 -8.147 1.00 0.00 N ATOM 1083 CD2 HIS A 68 7.647 -5.312 -7.976 1.00 0.00 C ATOM 1084 CE1 HIS A 68 6.852 -7.243 -8.656 1.00 0.00 C ATOM 1085 NE2 HIS A 68 7.996 -6.549 -8.562 1.00 0.00 N ATOM 0 H HIS A 68 3.140 -5.062 -6.551 1.00 0.00 H new ATOM 0 HA HIS A 68 5.691 -5.217 -5.227 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.703 -3.921 -7.731 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.177 -3.326 -6.994 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.322 -4.494 -7.770 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.770 -8.232 -9.083 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.925 -6.852 -8.853 1.00 0.00 H new ATOM 1093 N LEU A 69 6.006 -2.913 -4.402 1.00 0.00 N ATOM 1094 CA LEU A 69 6.256 -1.550 -4.153 1.00 0.00 C ATOM 1095 C LEU A 69 6.994 -0.811 -5.263 1.00 0.00 C ATOM 1096 O LEU A 69 7.836 -1.388 -5.950 1.00 0.00 O ATOM 1097 CB LEU A 69 7.098 -1.440 -2.899 1.00 0.00 C ATOM 1098 CG LEU A 69 7.397 -0.099 -2.217 1.00 0.00 C ATOM 1099 CD1 LEU A 69 6.110 0.522 -1.700 1.00 0.00 C ATOM 1100 CD2 LEU A 69 8.338 -0.309 -1.030 1.00 0.00 C ATOM 0 H LEU A 69 6.783 -3.540 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 69 5.275 -1.083 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.622 -2.071 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.062 -1.893 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 69 7.863 0.559 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.333 1.474 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.426 0.689 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.646 -0.150 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.543 0.650 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.870 -0.979 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.273 -0.747 -1.380 1.00 0.00 H new ATOM 1112 N VAL A 70 6.834 0.511 -5.250 1.00 0.00 N ATOM 1113 CA VAL A 70 7.919 1.430 -5.596 1.00 0.00 C ATOM 1114 C VAL A 70 8.154 2.592 -4.659 1.00 0.00 C ATOM 1115 O VAL A 70 7.354 2.884 -3.789 1.00 0.00 O ATOM 1116 CB VAL A 70 7.804 2.044 -7.022 1.00 0.00 C ATOM 1117 CG1 VAL A 70 9.150 2.397 -7.695 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.058 1.145 -8.018 1.00 0.00 C ATOM 0 H VAL A 70 5.959 0.973 -5.002 1.00 0.00 H new ATOM 0 HA VAL A 70 8.763 0.745 -5.520 1.00 0.00 H new ATOM 0 HB VAL A 70 7.246 2.958 -6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.963 2.818 -8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.682 3.127 -7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.755 1.496 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.016 1.636 -8.990 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.583 0.194 -8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.045 0.965 -7.658 1.00 0.00 H new ATOM 1128 N LEU A 71 9.205 3.343 -4.937 1.00 0.00 N ATOM 1129 CA LEU A 71 9.192 4.787 -4.803 1.00 0.00 C ATOM 1130 C LEU A 71 8.030 5.592 -5.392 1.00 0.00 C ATOM 1131 O LEU A 71 7.314 5.192 -6.302 1.00 0.00 O ATOM 1132 CB LEU A 71 10.465 5.418 -5.386 1.00 0.00 C ATOM 1133 CG LEU A 71 11.630 5.790 -4.440 1.00 0.00 C ATOM 1134 CD1 LEU A 71 11.717 7.304 -4.237 1.00 0.00 C ATOM 1135 CD2 LEU A 71 11.639 5.101 -3.075 1.00 0.00 C ATOM 0 H LEU A 71 10.095 2.966 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 71 9.092 4.862 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.858 4.730 -6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.169 6.325 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 71 12.507 5.411 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.546 7.534 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.881 7.791 -5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.786 7.667 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.501 5.441 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.724 5.349 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.698 4.021 -3.213 1.00 0.00 H new