USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 560 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 77 CECE :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 77 CECE :(metal ligand) USER MOD Set 1.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= 0.0825! USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -150:sc= 0.0173 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 8 GLN : amide:sc= -1.32 K(o=-1.3,f=-4.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.927 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 77:sc= 0.373 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -3.25! C(o=-3.2!,f=-11!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00856 USER MOD Single : A 49 GLN : amide:sc= -0.605 K(o=-0.6,f=-2.4) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.59) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 122:sc= 0.294 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -23.666 -20.917 9.088 1.00 0.00 N ATOM 2 CA MET A 0 -23.310 -20.286 7.828 1.00 0.00 C ATOM 3 C MET A 0 -24.303 -19.179 7.469 1.00 0.00 C ATOM 4 O MET A 0 -25.229 -18.901 8.230 1.00 0.00 O ATOM 5 CB MET A 0 -23.293 -21.337 6.717 1.00 0.00 C ATOM 6 CG MET A 0 -21.952 -21.335 5.980 1.00 0.00 C ATOM 7 SD MET A 0 -21.085 -22.865 6.287 1.00 0.00 S ATOM 8 CE MET A 0 -21.353 -23.691 4.727 1.00 0.00 C ATOM 0 H1 MET A 0 -22.805 -21.259 9.561 1.00 0.00 H new ATOM 0 H2 MET A 0 -24.146 -20.226 9.699 1.00 0.00 H new ATOM 0 H3 MET A 0 -24.303 -21.719 8.907 1.00 0.00 H new ATOM 0 HA MET A 0 -22.321 -19.840 7.933 1.00 0.00 H new ATOM 0 HB2 MET A 0 -23.477 -22.324 7.142 1.00 0.00 H new ATOM 0 HB3 MET A 0 -24.100 -21.139 6.012 1.00 0.00 H new ATOM 0 HG2 MET A 0 -22.116 -21.209 4.910 1.00 0.00 H new ATOM 0 HG3 MET A 0 -21.347 -20.491 6.312 1.00 0.00 H new ATOM 0 HE1 MET A 0 -20.874 -24.670 4.747 1.00 0.00 H new ATOM 0 HE2 MET A 0 -22.423 -23.814 4.560 1.00 0.00 H new ATOM 0 HE3 MET A 0 -20.926 -23.094 3.921 1.00 0.00 H new ATOM 18 N ALA A 1 -24.077 -18.578 6.311 1.00 0.00 N ATOM 19 CA ALA A 1 -24.941 -17.508 5.842 1.00 0.00 C ATOM 20 C ALA A 1 -24.639 -17.222 4.369 1.00 0.00 C ATOM 21 O ALA A 1 -23.683 -17.759 3.813 1.00 0.00 O ATOM 22 CB ALA A 1 -24.751 -16.274 6.726 1.00 0.00 C ATOM 0 H ALA A 1 -23.308 -18.811 5.683 1.00 0.00 H new ATOM 0 HA ALA A 1 -25.988 -17.802 5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -25.399 -15.471 6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -25.007 -16.522 7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -23.712 -15.949 6.678 1.00 0.00 H new ATOM 28 N ASP A 2 -25.473 -16.378 3.780 1.00 0.00 N ATOM 29 CA ASP A 2 -25.307 -16.014 2.383 1.00 0.00 C ATOM 30 C ASP A 2 -24.321 -14.849 2.277 1.00 0.00 C ATOM 31 O ASP A 2 -23.834 -14.350 3.290 1.00 0.00 O ATOM 32 CB ASP A 2 -26.635 -15.568 1.769 1.00 0.00 C ATOM 33 CG ASP A 2 -27.605 -16.701 1.431 1.00 0.00 C ATOM 34 OD1 ASP A 2 -27.104 -17.785 1.060 1.00 0.00 O ATOM 35 OD2 ASP A 2 -28.825 -16.459 1.551 1.00 0.00 O ATOM 0 H ASP A 2 -26.266 -15.936 4.245 1.00 0.00 H new ATOM 0 HA ASP A 2 -24.938 -16.889 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -27.126 -14.884 2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -26.426 -15.005 0.859 1.00 0.00 H new ATOM 40 N GLN A 3 -24.057 -14.450 1.042 1.00 0.00 N ATOM 41 CA GLN A 3 -23.138 -13.353 0.790 1.00 0.00 C ATOM 42 C GLN A 3 -21.747 -13.692 1.330 1.00 0.00 C ATOM 43 O GLN A 3 -21.601 -14.062 2.494 1.00 0.00 O ATOM 44 CB GLN A 3 -23.660 -12.050 1.399 1.00 0.00 C ATOM 45 CG GLN A 3 -23.370 -10.861 0.481 1.00 0.00 C ATOM 46 CD GLN A 3 -23.755 -9.542 1.153 1.00 0.00 C ATOM 47 OE1 GLN A 3 -22.971 -8.918 1.849 1.00 0.00 O ATOM 48 NE2 GLN A 3 -25.004 -9.154 0.908 1.00 0.00 N ATOM 0 H GLN A 3 -24.463 -14.867 0.204 1.00 0.00 H new ATOM 0 HA GLN A 3 -23.063 -13.207 -0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -24.734 -12.129 1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -23.194 -11.886 2.371 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -22.311 -10.846 0.223 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -23.924 -10.973 -0.451 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -25.608 -9.724 0.316 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -25.357 -8.287 1.312 1.00 0.00 H new ATOM 57 N LEU A 4 -20.759 -13.552 0.458 1.00 0.00 N ATOM 58 CA LEU A 4 -19.384 -13.839 0.832 1.00 0.00 C ATOM 59 C LEU A 4 -19.023 -13.036 2.084 1.00 0.00 C ATOM 60 O LEU A 4 -19.827 -12.241 2.569 1.00 0.00 O ATOM 61 CB LEU A 4 -18.444 -13.591 -0.349 1.00 0.00 C ATOM 62 CG LEU A 4 -18.626 -12.261 -1.083 1.00 0.00 C ATOM 63 CD1 LEU A 4 -17.293 -11.523 -1.219 1.00 0.00 C ATOM 64 CD2 LEU A 4 -19.305 -12.470 -2.438 1.00 0.00 C ATOM 0 H LEU A 4 -20.883 -13.244 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.270 -14.893 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -17.417 -13.647 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.574 -14.400 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 4 -19.285 -11.630 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.451 -10.581 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.886 -11.322 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.592 -12.139 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -19.422 -11.509 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.692 -13.128 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -20.285 -12.923 -2.288 1.00 0.00 H new ATOM 76 N THR A 5 -17.814 -13.272 2.571 1.00 0.00 N ATOM 77 CA THR A 5 -17.337 -12.582 3.757 1.00 0.00 C ATOM 78 C THR A 5 -15.808 -12.521 3.760 1.00 0.00 C ATOM 79 O THR A 5 -15.173 -12.718 2.725 1.00 0.00 O ATOM 80 CB THR A 5 -17.919 -13.288 4.982 1.00 0.00 C ATOM 81 OG1 THR A 5 -16.914 -14.228 5.352 1.00 0.00 O ATOM 82 CG2 THR A 5 -19.132 -14.155 4.637 1.00 0.00 C ATOM 0 H THR A 5 -17.150 -13.932 2.166 1.00 0.00 H new ATOM 0 HA THR A 5 -17.673 -11.545 3.772 1.00 0.00 H new ATOM 0 HB THR A 5 -18.204 -12.545 5.727 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.209 -14.729 6.141 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.506 -14.634 5.542 1.00 0.00 H new ATOM 0 HG22 THR A 5 -19.915 -13.531 4.206 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.840 -14.919 3.917 1.00 0.00 H new ATOM 90 N GLU A 6 -15.261 -12.248 4.935 1.00 0.00 N ATOM 91 CA GLU A 6 -13.819 -12.160 5.087 1.00 0.00 C ATOM 92 C GLU A 6 -13.133 -13.283 4.306 1.00 0.00 C ATOM 93 O GLU A 6 -12.068 -13.079 3.726 1.00 0.00 O ATOM 94 CB GLU A 6 -13.419 -12.195 6.564 1.00 0.00 C ATOM 95 CG GLU A 6 -13.934 -10.957 7.301 1.00 0.00 C ATOM 96 CD GLU A 6 -13.401 -10.912 8.734 1.00 0.00 C ATOM 97 OE1 GLU A 6 -13.956 -11.658 9.570 1.00 0.00 O ATOM 98 OE2 GLU A 6 -12.451 -10.132 8.962 1.00 0.00 O ATOM 0 H GLU A 6 -15.791 -12.085 5.791 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.488 -11.205 4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.820 -13.094 7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.334 -12.248 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.628 -10.058 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.024 -10.964 7.314 1.00 0.00 H new ATOM 105 N GLU A 7 -13.771 -14.444 4.318 1.00 0.00 N ATOM 106 CA GLU A 7 -13.236 -15.599 3.618 1.00 0.00 C ATOM 107 C GLU A 7 -12.613 -15.173 2.288 1.00 0.00 C ATOM 108 O GLU A 7 -11.580 -15.703 1.884 1.00 0.00 O ATOM 109 CB GLU A 7 -14.318 -16.659 3.402 1.00 0.00 C ATOM 110 CG GLU A 7 -14.612 -17.415 4.700 1.00 0.00 C ATOM 111 CD GLU A 7 -14.456 -18.925 4.502 1.00 0.00 C ATOM 112 OE1 GLU A 7 -13.292 -19.365 4.392 1.00 0.00 O ATOM 113 OE2 GLU A 7 -15.506 -19.603 4.465 1.00 0.00 O ATOM 0 H GLU A 7 -14.654 -14.610 4.802 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.456 -16.044 4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.230 -16.185 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.996 -17.361 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.935 -17.076 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.625 -17.191 5.034 1.00 0.00 H new ATOM 120 N GLN A 8 -13.268 -14.218 1.643 1.00 0.00 N ATOM 121 CA GLN A 8 -12.791 -13.714 0.367 1.00 0.00 C ATOM 122 C GLN A 8 -11.663 -12.703 0.583 1.00 0.00 C ATOM 123 O GLN A 8 -10.661 -12.725 -0.130 1.00 0.00 O ATOM 124 CB GLN A 8 -13.935 -13.095 -0.440 1.00 0.00 C ATOM 125 CG GLN A 8 -14.632 -14.150 -1.301 1.00 0.00 C ATOM 126 CD GLN A 8 -15.178 -15.289 -0.438 1.00 0.00 C ATOM 127 OE1 GLN A 8 -15.538 -15.112 0.714 1.00 0.00 O ATOM 128 NE2 GLN A 8 -15.219 -16.465 -1.058 1.00 0.00 N ATOM 0 H GLN A 8 -14.125 -13.780 1.981 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.396 -14.552 -0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.657 -12.638 0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.547 -12.300 -1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.447 -13.689 -1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.930 -14.548 -2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.902 -16.543 -2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.568 -17.288 -0.567 1.00 0.00 H new ATOM 137 N ILE A 9 -11.864 -11.842 1.569 1.00 0.00 N ATOM 138 CA ILE A 9 -10.876 -10.825 1.888 1.00 0.00 C ATOM 139 C ILE A 9 -9.572 -11.503 2.313 1.00 0.00 C ATOM 140 O ILE A 9 -8.486 -11.013 2.010 1.00 0.00 O ATOM 141 CB ILE A 9 -11.429 -9.848 2.928 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.030 -8.409 2.595 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.000 -10.250 4.340 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.123 -7.711 1.783 1.00 0.00 C ATOM 0 H ILE A 9 -12.697 -11.827 2.158 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.651 -10.223 1.008 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.518 -9.895 2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.847 -7.856 3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.097 -8.408 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.406 -9.539 5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.376 -11.248 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.912 -10.249 4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.814 -6.690 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.286 -8.253 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.048 -7.693 2.359 1.00 0.00 H new ATOM 156 N ALA A 10 -9.723 -12.620 3.010 1.00 0.00 N ATOM 157 CA ALA A 10 -8.571 -13.370 3.480 1.00 0.00 C ATOM 158 C ALA A 10 -7.543 -13.478 2.352 1.00 0.00 C ATOM 159 O ALA A 10 -6.341 -13.380 2.592 1.00 0.00 O ATOM 160 CB ALA A 10 -9.026 -14.740 3.988 1.00 0.00 C ATOM 0 H ALA A 10 -10.626 -13.023 3.260 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.093 -12.856 4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.162 -15.303 4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.732 -14.608 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.509 -15.286 3.178 1.00 0.00 H new ATOM 166 N GLU A 11 -8.054 -13.679 1.146 1.00 0.00 N ATOM 167 CA GLU A 11 -7.196 -13.801 -0.019 1.00 0.00 C ATOM 168 C GLU A 11 -6.510 -12.466 -0.316 1.00 0.00 C ATOM 169 O GLU A 11 -5.345 -12.436 -0.708 1.00 0.00 O ATOM 170 CB GLU A 11 -7.986 -14.294 -1.233 1.00 0.00 C ATOM 171 CG GLU A 11 -8.543 -15.698 -0.992 1.00 0.00 C ATOM 172 CD GLU A 11 -9.240 -16.234 -2.244 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.517 -16.776 -3.109 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.480 -16.090 -2.309 1.00 0.00 O ATOM 0 H GLU A 11 -9.052 -13.760 0.951 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.426 -14.542 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.804 -13.605 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.342 -14.301 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.734 -16.370 -0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.248 -15.676 -0.161 1.00 0.00 H new ATOM 181 N PHE A 12 -7.263 -11.394 -0.118 1.00 0.00 N ATOM 182 CA PHE A 12 -6.743 -10.059 -0.360 1.00 0.00 C ATOM 183 C PHE A 12 -5.670 -9.694 0.668 1.00 0.00 C ATOM 184 O PHE A 12 -4.721 -8.978 0.353 1.00 0.00 O ATOM 185 CB PHE A 12 -7.917 -9.089 -0.219 1.00 0.00 C ATOM 186 CG PHE A 12 -8.845 -9.055 -1.435 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.352 -10.213 -1.936 1.00 0.00 C ATOM 188 CD2 PHE A 12 -9.163 -7.866 -2.015 1.00 0.00 C ATOM 189 CE1 PHE A 12 -10.214 -10.181 -3.065 1.00 0.00 C ATOM 190 CE2 PHE A 12 -10.024 -7.834 -3.144 1.00 0.00 C ATOM 191 CZ PHE A 12 -10.531 -8.993 -3.645 1.00 0.00 C ATOM 0 H PHE A 12 -8.229 -11.423 0.207 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.291 -10.010 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.498 -9.364 0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.528 -8.086 -0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.100 -11.157 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.761 -6.946 -1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.617 -11.101 -3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.276 -6.890 -3.605 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.186 -8.969 -4.504 1.00 0.00 H new ATOM 201 N LYS A 13 -5.856 -10.204 1.877 1.00 0.00 N ATOM 202 CA LYS A 13 -4.916 -9.941 2.953 1.00 0.00 C ATOM 203 C LYS A 13 -3.490 -9.984 2.400 1.00 0.00 C ATOM 204 O LYS A 13 -2.784 -8.977 2.414 1.00 0.00 O ATOM 205 CB LYS A 13 -5.153 -10.903 4.119 1.00 0.00 C ATOM 206 CG LYS A 13 -6.446 -10.558 4.861 1.00 0.00 C ATOM 207 CD LYS A 13 -6.400 -11.061 6.305 1.00 0.00 C ATOM 208 CE LYS A 13 -7.810 -11.320 6.840 1.00 0.00 C ATOM 209 NZ LYS A 13 -7.810 -11.327 8.320 1.00 0.00 N ATOM 0 H LYS A 13 -6.644 -10.798 2.135 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.071 -8.941 3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.205 -11.926 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.310 -10.858 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.597 -9.479 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.296 -11.003 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.814 -11.978 6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.898 -10.326 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.491 -10.551 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.177 -12.276 6.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.775 -11.504 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.176 -12.076 8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.480 -10.406 8.672 1.00 0.00 H new ATOM 223 N GLU A 14 -3.108 -11.161 1.927 1.00 0.00 N ATOM 224 CA GLU A 14 -1.779 -11.349 1.371 1.00 0.00 C ATOM 225 C GLU A 14 -1.427 -10.191 0.434 1.00 0.00 C ATOM 226 O GLU A 14 -0.282 -9.745 0.396 1.00 0.00 O ATOM 227 CB GLU A 14 -1.672 -12.692 0.646 1.00 0.00 C ATOM 228 CG GLU A 14 -1.770 -13.857 1.633 1.00 0.00 C ATOM 229 CD GLU A 14 -0.910 -15.037 1.177 1.00 0.00 C ATOM 230 OE1 GLU A 14 -1.094 -15.456 0.014 1.00 0.00 O ATOM 231 OE2 GLU A 14 -0.088 -15.493 2.001 1.00 0.00 O ATOM 0 H GLU A 14 -3.696 -11.994 1.917 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.062 -11.358 2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.465 -12.772 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.725 -12.745 0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.448 -13.529 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.809 -14.174 1.725 1.00 0.00 H new ATOM 238 N ALA A 15 -2.434 -9.738 -0.299 1.00 0.00 N ATOM 239 CA ALA A 15 -2.245 -8.641 -1.233 1.00 0.00 C ATOM 240 C ALA A 15 -1.730 -7.415 -0.476 1.00 0.00 C ATOM 241 O ALA A 15 -0.704 -6.843 -0.839 1.00 0.00 O ATOM 242 CB ALA A 15 -3.559 -8.364 -1.966 1.00 0.00 C ATOM 0 H ALA A 15 -3.383 -10.111 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.500 -8.901 -1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.418 -7.541 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.867 -9.256 -2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.330 -8.097 -1.243 1.00 0.00 H new ATOM 248 N PHE A 16 -2.466 -7.049 0.564 1.00 0.00 N ATOM 249 CA PHE A 16 -2.097 -5.902 1.375 1.00 0.00 C ATOM 250 C PHE A 16 -0.727 -6.108 2.024 1.00 0.00 C ATOM 251 O PHE A 16 0.035 -5.156 2.191 1.00 0.00 O ATOM 252 CB PHE A 16 -3.154 -5.771 2.473 1.00 0.00 C ATOM 253 CG PHE A 16 -3.024 -4.500 3.314 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.376 -3.296 2.787 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.556 -4.573 4.589 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.255 -2.116 3.567 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.436 -3.393 5.370 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.787 -2.190 4.842 1.00 0.00 C ATOM 0 H PHE A 16 -3.316 -7.527 0.863 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.044 -5.008 0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.143 -5.792 2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.089 -6.638 3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.748 -3.238 1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.276 -5.528 5.007 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.534 -1.160 3.148 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.066 -3.451 6.383 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.694 -1.293 5.436 1.00 0.00 H new ATOM 268 N SER A 17 -0.455 -7.357 2.374 1.00 0.00 N ATOM 269 CA SER A 17 0.810 -7.700 3.001 1.00 0.00 C ATOM 270 C SER A 17 1.971 -7.312 2.084 1.00 0.00 C ATOM 271 O SER A 17 2.911 -6.645 2.516 1.00 0.00 O ATOM 272 CB SER A 17 0.872 -9.192 3.334 1.00 0.00 C ATOM 273 OG SER A 17 0.426 -9.462 4.660 1.00 0.00 O ATOM 0 H SER A 17 -1.089 -8.144 2.235 1.00 0.00 H new ATOM 0 HA SER A 17 0.892 -7.143 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.258 -9.747 2.625 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.896 -9.547 3.216 1.00 0.00 H new ATOM 0 HG SER A 17 0.479 -10.425 4.833 1.00 0.00 H new ATOM 279 N LEU A 18 1.869 -7.745 0.836 1.00 0.00 N ATOM 280 CA LEU A 18 2.899 -7.451 -0.145 1.00 0.00 C ATOM 281 C LEU A 18 3.415 -6.027 0.075 1.00 0.00 C ATOM 282 O LEU A 18 4.622 -5.809 0.176 1.00 0.00 O ATOM 283 CB LEU A 18 2.378 -7.704 -1.561 1.00 0.00 C ATOM 284 CG LEU A 18 2.954 -8.927 -2.278 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.031 -10.138 -2.125 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.248 -8.614 -3.747 1.00 0.00 C ATOM 0 H LEU A 18 1.088 -8.298 0.482 1.00 0.00 H new ATOM 0 HA LEU A 18 3.749 -8.122 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.294 -7.812 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.585 -6.821 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 18 3.903 -9.183 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.464 -10.993 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.915 -10.376 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.056 -9.909 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.656 -9.500 -4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.326 -8.318 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.971 -7.801 -3.808 1.00 0.00 H new ATOM 298 N PHE A 19 2.476 -5.095 0.143 1.00 0.00 N ATOM 299 CA PHE A 19 2.821 -3.699 0.349 1.00 0.00 C ATOM 300 C PHE A 19 3.216 -3.441 1.804 1.00 0.00 C ATOM 301 O PHE A 19 4.241 -2.815 2.071 1.00 0.00 O ATOM 302 CB PHE A 19 1.574 -2.877 0.018 1.00 0.00 C ATOM 303 CG PHE A 19 1.271 -2.780 -1.479 1.00 0.00 C ATOM 304 CD1 PHE A 19 1.902 -1.847 -2.241 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.371 -3.627 -2.047 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.622 -1.757 -3.630 1.00 0.00 C ATOM 307 CE2 PHE A 19 0.091 -3.537 -3.436 1.00 0.00 C ATOM 308 CZ PHE A 19 0.722 -2.604 -4.198 1.00 0.00 C ATOM 0 H PHE A 19 1.476 -5.279 0.059 1.00 0.00 H new ATOM 0 HA PHE A 19 3.667 -3.427 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.716 -3.319 0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.698 -1.871 0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.616 -1.174 -1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.130 -4.368 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.123 -1.016 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.623 -4.210 -3.887 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.508 -2.536 -5.254 1.00 0.00 H new ATOM 318 N ASP A 20 2.383 -3.937 2.707 1.00 0.00 N ATOM 319 CA ASP A 20 2.633 -3.767 4.128 1.00 0.00 C ATOM 320 C ASP A 20 3.643 -4.818 4.593 1.00 0.00 C ATOM 321 O ASP A 20 3.268 -5.945 4.913 1.00 0.00 O ATOM 322 CB ASP A 20 1.349 -3.954 4.939 1.00 0.00 C ATOM 323 CG ASP A 20 1.554 -4.115 6.447 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.558 -3.562 6.945 1.00 0.00 O ATOM 325 OD2 ASP A 20 0.702 -4.788 7.067 1.00 0.00 O ATOM 0 H ASP A 20 1.535 -4.457 2.482 1.00 0.00 H new ATOM 0 HA ASP A 20 3.015 -2.758 4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.699 -3.096 4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.824 -4.832 4.563 1.00 0.00 H new ATOM 330 N LYS A 21 4.904 -4.412 4.615 1.00 0.00 N ATOM 331 CA LYS A 21 5.971 -5.305 5.035 1.00 0.00 C ATOM 332 C LYS A 21 5.933 -5.456 6.557 1.00 0.00 C ATOM 333 O LYS A 21 5.924 -6.572 7.073 1.00 0.00 O ATOM 334 CB LYS A 21 7.318 -4.819 4.498 1.00 0.00 C ATOM 335 CG LYS A 21 8.258 -5.996 4.230 1.00 0.00 C ATOM 336 CD LYS A 21 8.977 -6.426 5.511 1.00 0.00 C ATOM 337 CE LYS A 21 8.697 -7.896 5.830 1.00 0.00 C ATOM 338 NZ LYS A 21 8.791 -8.137 7.287 1.00 0.00 N ATOM 0 H LYS A 21 5.211 -3.476 4.349 1.00 0.00 H new ATOM 0 HA LYS A 21 5.826 -6.299 4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.165 -4.255 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.776 -4.139 5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.690 -6.835 3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.991 -5.716 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.050 -6.273 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.651 -5.801 6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.704 -8.169 5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.410 -8.531 5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.598 -9.139 7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.747 -7.896 7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.094 -7.545 7.782 1.00 0.00 H new ATOM 352 N ASP A 22 5.913 -4.316 7.232 1.00 0.00 N ATOM 353 CA ASP A 22 5.877 -4.308 8.685 1.00 0.00 C ATOM 354 C ASP A 22 4.751 -5.225 9.168 1.00 0.00 C ATOM 355 O ASP A 22 4.773 -5.694 10.305 1.00 0.00 O ATOM 356 CB ASP A 22 5.604 -2.901 9.221 1.00 0.00 C ATOM 357 CG ASP A 22 6.570 -1.823 8.728 1.00 0.00 C ATOM 358 OD1 ASP A 22 7.757 -2.167 8.539 1.00 0.00 O ATOM 359 OD2 ASP A 22 6.100 -0.678 8.550 1.00 0.00 O ATOM 0 H ASP A 22 5.921 -3.392 6.800 1.00 0.00 H new ATOM 0 HA ASP A 22 6.846 -4.651 9.049 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.590 -2.613 8.944 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.641 -2.930 10.310 1.00 0.00 H new ATOM 364 N GLY A 23 3.794 -5.452 8.281 1.00 0.00 N ATOM 365 CA GLY A 23 2.662 -6.305 8.602 1.00 0.00 C ATOM 366 C GLY A 23 1.886 -5.756 9.801 1.00 0.00 C ATOM 367 O GLY A 23 1.066 -6.459 10.389 1.00 0.00 O ATOM 0 H GLY A 23 3.779 -5.060 7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.001 -6.378 7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.012 -7.313 8.822 1.00 0.00 H new ATOM 371 N ASP A 24 2.173 -4.504 10.128 1.00 0.00 N ATOM 372 CA ASP A 24 1.512 -3.853 11.246 1.00 0.00 C ATOM 373 C ASP A 24 0.012 -3.752 10.958 1.00 0.00 C ATOM 374 O ASP A 24 -0.802 -3.763 11.880 1.00 0.00 O ATOM 375 CB ASP A 24 2.049 -2.436 11.454 1.00 0.00 C ATOM 376 CG ASP A 24 2.000 -1.537 10.217 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.663 -2.073 9.140 1.00 0.00 O ATOM 378 OD2 ASP A 24 2.299 -0.334 10.377 1.00 0.00 O ATOM 0 H ASP A 24 2.854 -3.924 9.638 1.00 0.00 H new ATOM 0 HA ASP A 24 1.701 -4.446 12.141 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.479 -1.961 12.252 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.082 -2.502 11.796 1.00 0.00 H new ATOM 383 N GLY A 25 -0.306 -3.657 9.676 1.00 0.00 N ATOM 384 CA GLY A 25 -1.693 -3.554 9.255 1.00 0.00 C ATOM 385 C GLY A 25 -1.948 -2.236 8.522 1.00 0.00 C ATOM 386 O GLY A 25 -3.097 -1.853 8.305 1.00 0.00 O ATOM 0 H GLY A 25 0.373 -3.649 8.915 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.942 -4.391 8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.347 -3.623 10.125 1.00 0.00 H new ATOM 390 N THR A 26 -0.857 -1.577 8.160 1.00 0.00 N ATOM 391 CA THR A 26 -0.947 -0.309 7.456 1.00 0.00 C ATOM 392 C THR A 26 0.161 -0.202 6.406 1.00 0.00 C ATOM 393 O THR A 26 1.217 -0.817 6.548 1.00 0.00 O ATOM 394 CB THR A 26 -0.910 0.813 8.495 1.00 0.00 C ATOM 395 OG1 THR A 26 0.363 0.668 9.118 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.909 0.591 9.633 1.00 0.00 C ATOM 0 H THR A 26 0.094 -1.898 8.341 1.00 0.00 H new ATOM 0 HA THR A 26 -1.883 -0.229 6.904 1.00 0.00 H new ATOM 0 HB THR A 26 -1.120 1.765 8.008 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.471 1.358 9.806 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.842 1.416 10.342 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.919 0.544 9.226 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.679 -0.345 10.142 1.00 0.00 H new ATOM 404 N ILE A 27 -0.117 0.584 5.377 1.00 0.00 N ATOM 405 CA ILE A 27 0.843 0.780 4.304 1.00 0.00 C ATOM 406 C ILE A 27 1.143 2.273 4.159 1.00 0.00 C ATOM 407 O ILE A 27 0.313 3.031 3.658 1.00 0.00 O ATOM 408 CB ILE A 27 0.346 0.125 3.013 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.075 -1.366 3.225 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.322 0.373 1.861 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.622 -1.974 2.006 1.00 0.00 C ATOM 0 H ILE A 27 -0.994 1.093 5.263 1.00 0.00 H new ATOM 0 HA ILE A 27 1.785 0.287 4.543 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.601 0.588 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.014 -1.888 3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.546 -1.504 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.945 -0.103 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.421 1.445 1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.296 -0.046 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.803 -3.034 2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.572 -1.466 1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.012 -1.855 1.127 1.00 0.00 H new ATOM 423 N THR A 28 2.331 2.652 4.608 1.00 0.00 N ATOM 424 CA THR A 28 2.750 4.041 4.535 1.00 0.00 C ATOM 425 C THR A 28 3.222 4.382 3.120 1.00 0.00 C ATOM 426 O THR A 28 2.655 3.902 2.140 1.00 0.00 O ATOM 427 CB THR A 28 3.820 4.269 5.604 1.00 0.00 C ATOM 428 OG1 THR A 28 4.225 5.621 5.408 1.00 0.00 O ATOM 429 CG2 THR A 28 5.091 3.458 5.342 1.00 0.00 C ATOM 0 H THR A 28 3.016 2.021 5.024 1.00 0.00 H new ATOM 0 HA THR A 28 1.919 4.716 4.738 1.00 0.00 H new ATOM 0 HB THR A 28 3.417 4.007 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.917 5.853 6.062 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.818 3.656 6.130 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.849 2.395 5.331 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.513 3.744 4.379 1.00 0.00 H new ATOM 437 N THR A 29 4.255 5.210 3.059 1.00 0.00 N ATOM 438 CA THR A 29 4.810 5.621 1.780 1.00 0.00 C ATOM 439 C THR A 29 5.969 4.704 1.382 1.00 0.00 C ATOM 440 O THR A 29 6.006 4.195 0.263 1.00 0.00 O ATOM 441 CB THR A 29 5.210 7.093 1.890 1.00 0.00 C ATOM 442 OG1 THR A 29 5.734 7.213 3.210 1.00 0.00 O ATOM 443 CG2 THR A 29 4.001 8.031 1.882 1.00 0.00 C ATOM 0 H THR A 29 4.722 5.607 3.874 1.00 0.00 H new ATOM 0 HA THR A 29 4.074 5.528 0.981 1.00 0.00 H new ATOM 0 HB THR A 29 5.874 7.351 1.065 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.019 8.137 3.366 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.341 9.063 1.962 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.447 7.903 0.952 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.352 7.796 2.726 1.00 0.00 H new ATOM 451 N LYS A 30 6.886 4.522 2.321 1.00 0.00 N ATOM 452 CA LYS A 30 8.043 3.675 2.082 1.00 0.00 C ATOM 453 C LYS A 30 7.572 2.275 1.683 1.00 0.00 C ATOM 454 O LYS A 30 7.987 1.747 0.653 1.00 0.00 O ATOM 455 CB LYS A 30 8.975 3.688 3.295 1.00 0.00 C ATOM 456 CG LYS A 30 10.298 4.382 2.962 1.00 0.00 C ATOM 457 CD LYS A 30 10.868 5.093 4.191 1.00 0.00 C ATOM 458 CE LYS A 30 12.314 4.665 4.450 1.00 0.00 C ATOM 459 NZ LYS A 30 12.784 5.186 5.753 1.00 0.00 N ATOM 0 H LYS A 30 6.852 4.946 3.248 1.00 0.00 H new ATOM 0 HA LYS A 30 8.633 4.061 1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.490 4.201 4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.168 2.666 3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.016 3.648 2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.143 5.103 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.825 6.172 4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.256 4.866 5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.385 3.577 4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.957 5.034 3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.767 4.886 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.735 6.225 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.181 4.814 6.514 1.00 0.00 H new ATOM 473 N GLU A 31 6.710 1.715 2.520 1.00 0.00 N ATOM 474 CA GLU A 31 6.178 0.387 2.267 1.00 0.00 C ATOM 475 C GLU A 31 5.446 0.355 0.924 1.00 0.00 C ATOM 476 O GLU A 31 5.268 -0.710 0.335 1.00 0.00 O ATOM 477 CB GLU A 31 5.256 -0.060 3.404 1.00 0.00 C ATOM 478 CG GLU A 31 6.032 -0.199 4.715 1.00 0.00 C ATOM 479 CD GLU A 31 5.491 -1.361 5.551 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.361 -1.213 6.065 1.00 0.00 O ATOM 481 OE2 GLU A 31 6.219 -2.371 5.657 1.00 0.00 O ATOM 0 H GLU A 31 6.367 2.157 3.373 1.00 0.00 H new ATOM 0 HA GLU A 31 7.011 -0.314 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.450 0.663 3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.793 -1.013 3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.088 -0.361 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.960 0.728 5.284 1.00 0.00 H new ATOM 488 N LEU A 32 5.041 1.535 0.478 1.00 0.00 N ATOM 489 CA LEU A 32 4.333 1.656 -0.785 1.00 0.00 C ATOM 490 C LEU A 32 5.347 1.747 -1.927 1.00 0.00 C ATOM 491 O LEU A 32 5.083 1.284 -3.035 1.00 0.00 O ATOM 492 CB LEU A 32 3.351 2.828 -0.739 1.00 0.00 C ATOM 493 CG LEU A 32 2.216 2.793 -1.764 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.973 2.116 -1.183 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.911 4.196 -2.292 1.00 0.00 C ATOM 0 H LEU A 32 5.190 2.416 0.969 1.00 0.00 H new ATOM 0 HA LEU A 32 3.726 0.769 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.912 2.870 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.912 3.752 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 32 2.541 2.193 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.181 2.104 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.216 1.093 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.635 2.668 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.101 4.143 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.614 4.840 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.801 4.606 -2.770 1.00 0.00 H new ATOM 507 N GLY A 33 6.487 2.348 -1.617 1.00 0.00 N ATOM 508 CA GLY A 33 7.542 2.506 -2.603 1.00 0.00 C ATOM 509 C GLY A 33 8.476 1.294 -2.606 1.00 0.00 C ATOM 510 O GLY A 33 9.370 1.197 -3.445 1.00 0.00 O ATOM 0 H GLY A 33 6.703 2.731 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.103 2.634 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.113 3.409 -2.388 1.00 0.00 H new ATOM 514 N THR A 34 8.237 0.400 -1.658 1.00 0.00 N ATOM 515 CA THR A 34 9.045 -0.801 -1.540 1.00 0.00 C ATOM 516 C THR A 34 8.628 -1.830 -2.593 1.00 0.00 C ATOM 517 O THR A 34 9.408 -2.163 -3.484 1.00 0.00 O ATOM 518 CB THR A 34 8.921 -1.316 -0.105 1.00 0.00 C ATOM 519 OG1 THR A 34 9.870 -0.542 0.625 1.00 0.00 O ATOM 520 CG2 THR A 34 9.420 -2.755 0.046 1.00 0.00 C ATOM 0 H THR A 34 7.494 0.484 -0.964 1.00 0.00 H new ATOM 0 HA THR A 34 10.097 -0.590 -1.735 1.00 0.00 H new ATOM 0 HB THR A 34 7.880 -1.257 0.213 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.507 0.354 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.310 -3.071 1.083 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.836 -3.412 -0.598 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.471 -2.808 -0.240 1.00 0.00 H new ATOM 528 N VAL A 35 7.399 -2.304 -2.456 1.00 0.00 N ATOM 529 CA VAL A 35 6.868 -3.288 -3.384 1.00 0.00 C ATOM 530 C VAL A 35 7.190 -2.857 -4.817 1.00 0.00 C ATOM 531 O VAL A 35 7.298 -3.695 -5.711 1.00 0.00 O ATOM 532 CB VAL A 35 5.370 -3.483 -3.141 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.650 -3.869 -4.435 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.123 -4.522 -2.046 1.00 0.00 C ATOM 0 H VAL A 35 6.755 -2.025 -1.716 1.00 0.00 H new ATOM 0 HA VAL A 35 7.338 -4.258 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 35 4.960 -2.532 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.587 -4.002 -4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.784 -3.080 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.066 -4.801 -4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.050 -4.641 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.555 -5.477 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.587 -4.189 -1.117 1.00 0.00 H new ATOM 544 N MET A 36 7.335 -1.552 -4.989 1.00 0.00 N ATOM 545 CA MET A 36 7.642 -1.000 -6.298 1.00 0.00 C ATOM 546 C MET A 36 9.066 -1.361 -6.724 1.00 0.00 C ATOM 547 O MET A 36 9.300 -1.724 -7.876 1.00 0.00 O ATOM 548 CB MET A 36 7.491 0.522 -6.258 1.00 0.00 C ATOM 549 CG MET A 36 6.050 0.922 -5.937 1.00 0.00 C ATOM 550 SD MET A 36 5.358 1.852 -7.295 1.00 0.00 S ATOM 551 CE MET A 36 4.217 0.645 -7.948 1.00 0.00 C ATOM 0 H MET A 36 7.246 -0.861 -4.244 1.00 0.00 H new ATOM 0 HA MET A 36 6.947 -1.424 -7.023 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.163 0.938 -5.508 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.784 0.945 -7.219 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.449 0.032 -5.752 1.00 0.00 H new ATOM 0 HG3 MET A 36 6.024 1.519 -5.026 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.696 1.065 -8.808 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.766 -0.245 -8.255 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.492 0.377 -7.180 1.00 0.00 H new ATOM 561 N ARG A 37 9.981 -1.248 -5.773 1.00 0.00 N ATOM 562 CA ARG A 37 11.376 -1.559 -6.036 1.00 0.00 C ATOM 563 C ARG A 37 11.507 -2.972 -6.606 1.00 0.00 C ATOM 564 O ARG A 37 12.457 -3.268 -7.331 1.00 0.00 O ATOM 565 CB ARG A 37 12.214 -1.451 -4.760 1.00 0.00 C ATOM 566 CG ARG A 37 12.533 0.009 -4.435 1.00 0.00 C ATOM 567 CD ARG A 37 12.546 0.244 -2.923 1.00 0.00 C ATOM 568 NE ARG A 37 11.825 1.496 -2.600 1.00 0.00 N ATOM 569 CZ ARG A 37 12.385 2.713 -2.623 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.676 2.850 -2.955 1.00 0.00 N ATOM 571 NH2 ARG A 37 11.655 3.793 -2.315 1.00 0.00 N ATOM 0 H ARG A 37 9.784 -0.945 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 37 11.746 -0.835 -6.763 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.675 -1.903 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.141 -2.011 -4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.502 0.276 -4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.793 0.659 -4.901 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.078 -0.597 -2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.574 0.303 -2.565 1.00 0.00 H new ATOM 0 HE ARG A 37 10.840 1.428 -2.344 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.232 2.028 -3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.103 3.776 -2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.672 3.689 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.082 4.719 -2.333 1.00 0.00 H new ATOM 585 N SER A 38 10.540 -3.809 -6.258 1.00 0.00 N ATOM 586 CA SER A 38 10.536 -5.184 -6.726 1.00 0.00 C ATOM 587 C SER A 38 10.145 -5.232 -8.205 1.00 0.00 C ATOM 588 O SER A 38 10.425 -6.213 -8.893 1.00 0.00 O ATOM 589 CB SER A 38 9.581 -6.045 -5.897 1.00 0.00 C ATOM 590 OG SER A 38 10.190 -6.512 -4.696 1.00 0.00 O ATOM 0 H SER A 38 9.754 -3.561 -5.657 1.00 0.00 H new ATOM 0 HA SER A 38 11.541 -5.588 -6.609 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.691 -5.465 -5.651 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.252 -6.897 -6.492 1.00 0.00 H new ATOM 0 HG SER A 38 9.548 -7.056 -4.194 1.00 0.00 H new ATOM 596 N LEU A 39 9.505 -4.161 -8.650 1.00 0.00 N ATOM 597 CA LEU A 39 9.073 -4.069 -10.034 1.00 0.00 C ATOM 598 C LEU A 39 10.006 -3.124 -10.793 1.00 0.00 C ATOM 599 O LEU A 39 9.630 -2.569 -11.825 1.00 0.00 O ATOM 600 CB LEU A 39 7.598 -3.668 -10.110 1.00 0.00 C ATOM 601 CG LEU A 39 6.661 -4.681 -10.772 1.00 0.00 C ATOM 602 CD1 LEU A 39 5.862 -5.455 -9.722 1.00 0.00 C ATOM 603 CD2 LEU A 39 5.752 -3.998 -11.796 1.00 0.00 C ATOM 0 H LEU A 39 9.275 -3.349 -8.077 1.00 0.00 H new ATOM 0 HA LEU A 39 9.140 -5.043 -10.519 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.240 -3.480 -9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.525 -2.726 -10.654 1.00 0.00 H new ATOM 0 HG LEU A 39 7.268 -5.406 -11.314 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.204 -6.168 -10.218 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.547 -5.990 -9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.264 -4.759 -9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.096 -4.740 -12.252 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.150 -3.238 -11.298 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.362 -3.529 -12.568 1.00 0.00 H new ATOM 615 N GLY A 40 11.206 -2.969 -10.253 1.00 0.00 N ATOM 616 CA GLY A 40 12.197 -2.100 -10.867 1.00 0.00 C ATOM 617 C GLY A 40 11.717 -0.648 -10.884 1.00 0.00 C ATOM 618 O GLY A 40 12.123 0.134 -11.742 1.00 0.00 O ATOM 0 H GLY A 40 11.515 -3.430 -9.397 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.137 -2.170 -10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.397 -2.433 -11.886 1.00 0.00 H new ATOM 622 N GLN A 41 10.859 -0.330 -9.925 1.00 0.00 N ATOM 623 CA GLN A 41 10.320 1.015 -9.819 1.00 0.00 C ATOM 624 C GLN A 41 10.877 1.714 -8.577 1.00 0.00 C ATOM 625 O GLN A 41 11.637 1.119 -7.814 1.00 0.00 O ATOM 626 CB GLN A 41 8.790 0.992 -9.796 1.00 0.00 C ATOM 627 CG GLN A 41 8.221 0.920 -11.214 1.00 0.00 C ATOM 628 CD GLN A 41 6.934 1.738 -11.331 1.00 0.00 C ATOM 629 OE1 GLN A 41 6.913 2.839 -11.856 1.00 0.00 O ATOM 630 NE2 GLN A 41 5.864 1.141 -10.812 1.00 0.00 N ATOM 0 H GLN A 41 10.524 -0.981 -9.215 1.00 0.00 H new ATOM 0 HA GLN A 41 10.629 1.580 -10.699 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.444 0.135 -9.218 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.417 1.886 -9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.959 1.292 -11.925 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.021 -0.119 -11.477 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.951 0.218 -10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.957 1.606 -10.839 1.00 0.00 H new ATOM 639 N ASN A 42 10.477 2.966 -8.413 1.00 0.00 N ATOM 640 CA ASN A 42 10.926 3.752 -7.276 1.00 0.00 C ATOM 641 C ASN A 42 10.389 5.179 -7.405 1.00 0.00 C ATOM 642 O ASN A 42 11.140 6.103 -7.715 1.00 0.00 O ATOM 643 CB ASN A 42 12.454 3.825 -7.227 1.00 0.00 C ATOM 644 CG ASN A 42 12.947 4.025 -5.792 1.00 0.00 C ATOM 645 OD1 ASN A 42 12.175 4.156 -4.856 1.00 0.00 O ATOM 646 ND2 ASN A 42 14.271 4.043 -5.673 1.00 0.00 N ATOM 0 H ASN A 42 9.847 3.456 -9.048 1.00 0.00 H new ATOM 0 HA ASN A 42 10.558 3.274 -6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.879 2.909 -7.637 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.803 4.646 -7.853 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.699 4.172 -4.756 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.859 3.927 -6.498 1.00 0.00 H new ATOM 653 N PRO A 43 9.060 5.318 -7.153 1.00 0.00 N ATOM 654 CA PRO A 43 8.414 6.617 -7.237 1.00 0.00 C ATOM 655 C PRO A 43 8.769 7.485 -6.028 1.00 0.00 C ATOM 656 O PRO A 43 8.916 6.978 -4.917 1.00 0.00 O ATOM 657 CB PRO A 43 6.928 6.311 -7.334 1.00 0.00 C ATOM 658 CG PRO A 43 6.762 4.885 -6.834 1.00 0.00 C ATOM 659 CD PRO A 43 8.140 4.246 -6.783 1.00 0.00 C ATOM 0 HA PRO A 43 8.745 7.197 -8.099 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.346 7.007 -6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.576 6.408 -8.361 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.301 4.878 -5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.104 4.322 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.361 3.860 -5.788 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.213 3.406 -7.474 1.00 0.00 H new ATOM 667 N THR A 44 8.895 8.778 -6.286 1.00 0.00 N ATOM 668 CA THR A 44 9.230 9.722 -5.233 1.00 0.00 C ATOM 669 C THR A 44 8.132 9.743 -4.167 1.00 0.00 C ATOM 670 O THR A 44 6.988 9.384 -4.442 1.00 0.00 O ATOM 671 CB THR A 44 9.475 11.086 -5.880 1.00 0.00 C ATOM 672 OG1 THR A 44 8.310 11.309 -6.670 1.00 0.00 O ATOM 673 CG2 THR A 44 10.616 11.055 -6.899 1.00 0.00 C ATOM 0 H THR A 44 8.771 9.195 -7.209 1.00 0.00 H new ATOM 0 HA THR A 44 10.140 9.426 -4.712 1.00 0.00 H new ATOM 0 HB THR A 44 9.700 11.820 -5.106 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.384 12.174 -7.125 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.748 12.048 -7.328 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.538 10.748 -6.404 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.377 10.346 -7.692 1.00 0.00 H new ATOM 681 N GLU A 45 8.519 10.167 -2.973 1.00 0.00 N ATOM 682 CA GLU A 45 7.582 10.240 -1.865 1.00 0.00 C ATOM 683 C GLU A 45 6.361 11.074 -2.256 1.00 0.00 C ATOM 684 O GLU A 45 5.260 10.840 -1.760 1.00 0.00 O ATOM 685 CB GLU A 45 8.256 10.807 -0.614 1.00 0.00 C ATOM 686 CG GLU A 45 8.849 9.689 0.245 1.00 0.00 C ATOM 687 CD GLU A 45 9.366 10.235 1.577 1.00 0.00 C ATOM 688 OE1 GLU A 45 10.016 11.303 1.539 1.00 0.00 O ATOM 689 OE2 GLU A 45 9.100 9.574 2.604 1.00 0.00 O ATOM 0 H GLU A 45 9.469 10.464 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 45 7.247 9.230 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.043 11.503 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.530 11.372 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.092 8.927 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.663 9.205 -0.294 1.00 0.00 H new ATOM 696 N ALA A 46 6.596 12.030 -3.143 1.00 0.00 N ATOM 697 CA ALA A 46 5.529 12.900 -3.607 1.00 0.00 C ATOM 698 C ALA A 46 4.494 12.069 -4.367 1.00 0.00 C ATOM 699 O ALA A 46 3.293 12.210 -4.141 1.00 0.00 O ATOM 700 CB ALA A 46 6.121 14.021 -4.464 1.00 0.00 C ATOM 0 H ALA A 46 7.510 12.221 -3.553 1.00 0.00 H new ATOM 0 HA ALA A 46 5.021 13.368 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.321 14.674 -4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.828 14.599 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.637 13.589 -5.322 1.00 0.00 H new ATOM 706 N GLU A 47 4.997 11.221 -5.252 1.00 0.00 N ATOM 707 CA GLU A 47 4.130 10.368 -6.047 1.00 0.00 C ATOM 708 C GLU A 47 3.254 9.506 -5.136 1.00 0.00 C ATOM 709 O GLU A 47 2.028 9.584 -5.193 1.00 0.00 O ATOM 710 CB GLU A 47 4.946 9.498 -7.006 1.00 0.00 C ATOM 711 CG GLU A 47 4.038 8.563 -7.807 1.00 0.00 C ATOM 712 CD GLU A 47 4.438 8.543 -9.283 1.00 0.00 C ATOM 713 OE1 GLU A 47 4.200 9.573 -9.950 1.00 0.00 O ATOM 714 OE2 GLU A 47 4.972 7.497 -9.712 1.00 0.00 O ATOM 0 H GLU A 47 5.994 11.106 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 47 3.480 11.003 -6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.511 10.134 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.671 8.911 -6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.096 7.555 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.002 8.887 -7.712 1.00 0.00 H new ATOM 721 N LEU A 48 3.917 8.702 -4.318 1.00 0.00 N ATOM 722 CA LEU A 48 3.214 7.826 -3.396 1.00 0.00 C ATOM 723 C LEU A 48 2.140 8.627 -2.657 1.00 0.00 C ATOM 724 O LEU A 48 0.956 8.302 -2.732 1.00 0.00 O ATOM 725 CB LEU A 48 4.203 7.121 -2.466 1.00 0.00 C ATOM 726 CG LEU A 48 5.310 6.316 -3.151 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.568 6.265 -2.283 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.817 4.918 -3.529 1.00 0.00 C ATOM 0 H LEU A 48 4.934 8.639 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 48 2.703 7.032 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.669 7.871 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.643 6.450 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 48 5.579 6.824 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.339 5.687 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.930 7.278 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.333 5.793 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.623 4.367 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.504 4.387 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.972 5.003 -4.213 1.00 0.00 H new ATOM 740 N GLN A 49 2.592 9.659 -1.960 1.00 0.00 N ATOM 741 CA GLN A 49 1.684 10.509 -1.208 1.00 0.00 C ATOM 742 C GLN A 49 0.414 10.778 -2.018 1.00 0.00 C ATOM 743 O GLN A 49 -0.689 10.760 -1.474 1.00 0.00 O ATOM 744 CB GLN A 49 2.366 11.819 -0.807 1.00 0.00 C ATOM 745 CG GLN A 49 2.032 12.190 0.640 1.00 0.00 C ATOM 746 CD GLN A 49 2.924 11.428 1.621 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.127 11.314 1.447 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.271 10.914 2.660 1.00 0.00 N ATOM 0 H GLN A 49 3.575 9.926 -1.900 1.00 0.00 H new ATOM 0 HA GLN A 49 1.404 9.988 -0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.446 11.721 -0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.046 12.619 -1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.161 13.263 0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.985 11.965 0.845 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.263 11.046 2.745 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.778 10.388 3.371 1.00 0.00 H new ATOM 757 N ASP A 50 0.612 11.020 -3.306 1.00 0.00 N ATOM 758 CA ASP A 50 -0.503 11.291 -4.196 1.00 0.00 C ATOM 759 C ASP A 50 -1.350 10.026 -4.346 1.00 0.00 C ATOM 760 O ASP A 50 -2.578 10.093 -4.345 1.00 0.00 O ATOM 761 CB ASP A 50 -0.012 11.699 -5.586 1.00 0.00 C ATOM 762 CG ASP A 50 -0.375 13.123 -6.009 1.00 0.00 C ATOM 763 OD1 ASP A 50 -1.501 13.292 -6.526 1.00 0.00 O ATOM 764 OD2 ASP A 50 0.480 14.012 -5.806 1.00 0.00 O ATOM 0 H ASP A 50 1.528 11.034 -3.754 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.087 12.105 -3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.072 11.592 -5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.422 11.003 -6.318 1.00 0.00 H new ATOM 769 N MET A 51 -0.660 8.902 -4.472 1.00 0.00 N ATOM 770 CA MET A 51 -1.334 7.623 -4.622 1.00 0.00 C ATOM 771 C MET A 51 -2.091 7.249 -3.346 1.00 0.00 C ATOM 772 O MET A 51 -3.293 6.990 -3.387 1.00 0.00 O ATOM 773 CB MET A 51 -0.304 6.538 -4.942 1.00 0.00 C ATOM 774 CG MET A 51 0.545 6.928 -6.154 1.00 0.00 C ATOM 775 SD MET A 51 2.024 5.930 -6.210 1.00 0.00 S ATOM 776 CE MET A 51 2.080 5.557 -7.955 1.00 0.00 C ATOM 0 H MET A 51 0.359 8.850 -4.473 1.00 0.00 H new ATOM 0 HA MET A 51 -2.053 7.705 -5.437 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.341 6.378 -4.078 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.813 5.595 -5.139 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.030 6.792 -7.070 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.811 7.984 -6.098 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.950 4.936 -8.166 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.174 5.023 -8.242 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.150 6.485 -8.523 1.00 0.00 H new ATOM 786 N ILE A 52 -1.356 7.231 -2.244 1.00 0.00 N ATOM 787 CA ILE A 52 -1.943 6.892 -0.959 1.00 0.00 C ATOM 788 C ILE A 52 -3.271 7.635 -0.798 1.00 0.00 C ATOM 789 O ILE A 52 -4.289 7.029 -0.468 1.00 0.00 O ATOM 790 CB ILE A 52 -0.948 7.160 0.172 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.173 6.118 0.174 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.661 7.237 1.523 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.959 6.160 1.486 1.00 0.00 C ATOM 0 H ILE A 52 -0.359 7.446 -2.214 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.165 5.826 -0.911 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.485 8.131 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.250 5.124 0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.846 6.301 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.931 7.428 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.393 8.045 1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.168 6.293 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.749 5.410 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.401 7.148 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.288 5.952 2.319 1.00 0.00 H new ATOM 805 N ASN A 53 -3.217 8.937 -1.038 1.00 0.00 N ATOM 806 CA ASN A 53 -4.403 9.769 -0.924 1.00 0.00 C ATOM 807 C ASN A 53 -5.564 9.099 -1.662 1.00 0.00 C ATOM 808 O ASN A 53 -6.686 9.068 -1.161 1.00 0.00 O ATOM 809 CB ASN A 53 -4.173 11.145 -1.554 1.00 0.00 C ATOM 810 CG ASN A 53 -3.875 12.195 -0.482 1.00 0.00 C ATOM 811 OD1 ASN A 53 -4.489 12.236 0.572 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.902 13.040 -0.809 1.00 0.00 N ATOM 0 H ASN A 53 -2.370 9.436 -1.311 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.629 9.890 0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.342 11.093 -2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.055 11.441 -2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.629 13.779 -0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.429 12.950 -1.708 1.00 0.00 H new ATOM 819 N GLU A 54 -5.253 8.580 -2.840 1.00 0.00 N ATOM 820 CA GLU A 54 -6.256 7.912 -3.652 1.00 0.00 C ATOM 821 C GLU A 54 -6.971 6.836 -2.833 1.00 0.00 C ATOM 822 O GLU A 54 -8.179 6.648 -2.969 1.00 0.00 O ATOM 823 CB GLU A 54 -5.631 7.315 -4.915 1.00 0.00 C ATOM 824 CG GLU A 54 -4.828 8.369 -5.680 1.00 0.00 C ATOM 825 CD GLU A 54 -4.633 7.955 -7.140 1.00 0.00 C ATOM 826 OE1 GLU A 54 -3.765 7.086 -7.372 1.00 0.00 O ATOM 827 OE2 GLU A 54 -5.355 8.519 -7.990 1.00 0.00 O ATOM 0 H GLU A 54 -4.320 8.608 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.993 8.652 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.981 6.483 -4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.414 6.912 -5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.344 9.328 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.857 8.508 -5.205 1.00 0.00 H new ATOM 834 N VAL A 55 -6.195 6.158 -2.000 1.00 0.00 N ATOM 835 CA VAL A 55 -6.740 5.105 -1.159 1.00 0.00 C ATOM 836 C VAL A 55 -6.665 5.540 0.306 1.00 0.00 C ATOM 837 O VAL A 55 -6.428 4.718 1.190 1.00 0.00 O ATOM 838 CB VAL A 55 -6.010 3.788 -1.430 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.813 2.902 -2.383 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.602 4.044 -1.973 1.00 0.00 C ATOM 0 H VAL A 55 -5.194 6.317 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.790 4.933 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.913 3.257 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.272 1.972 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.784 2.678 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.957 3.423 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.104 3.092 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.668 4.605 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.030 4.617 -1.244 1.00 0.00 H new ATOM 850 N ASP A 56 -6.872 6.831 0.519 1.00 0.00 N ATOM 851 CA ASP A 56 -6.832 7.384 1.862 1.00 0.00 C ATOM 852 C ASP A 56 -7.674 8.661 1.908 1.00 0.00 C ATOM 853 O ASP A 56 -7.177 9.748 1.621 1.00 0.00 O ATOM 854 CB ASP A 56 -5.401 7.748 2.265 1.00 0.00 C ATOM 855 CG ASP A 56 -5.287 8.828 3.342 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.536 8.486 4.518 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.954 9.973 2.964 1.00 0.00 O ATOM 0 H ASP A 56 -7.068 7.510 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.221 6.632 2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.900 6.848 2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.864 8.083 1.378 1.00 0.00 H new ATOM 862 N ALA A 57 -8.936 8.486 2.273 1.00 0.00 N ATOM 863 CA ALA A 57 -9.853 9.610 2.361 1.00 0.00 C ATOM 864 C ALA A 57 -9.780 10.212 3.765 1.00 0.00 C ATOM 865 O ALA A 57 -10.298 11.302 4.004 1.00 0.00 O ATOM 866 CB ALA A 57 -11.265 9.147 1.997 1.00 0.00 C ATOM 0 H ALA A 57 -9.345 7.582 2.511 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.574 10.390 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.953 9.990 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.268 8.755 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.581 8.366 2.688 1.00 0.00 H new ATOM 872 N ASP A 58 -9.134 9.477 4.657 1.00 0.00 N ATOM 873 CA ASP A 58 -8.987 9.925 6.032 1.00 0.00 C ATOM 874 C ASP A 58 -7.908 11.008 6.098 1.00 0.00 C ATOM 875 O ASP A 58 -8.057 11.995 6.818 1.00 0.00 O ATOM 876 CB ASP A 58 -8.557 8.774 6.944 1.00 0.00 C ATOM 877 CG ASP A 58 -7.104 8.833 7.418 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.774 9.815 8.118 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.355 7.894 7.070 1.00 0.00 O ATOM 0 H ASP A 58 -8.706 8.574 4.455 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.951 10.309 6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.208 8.760 7.818 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.713 7.834 6.415 1.00 0.00 H new ATOM 884 N GLY A 59 -6.846 10.788 5.337 1.00 0.00 N ATOM 885 CA GLY A 59 -5.743 11.733 5.300 1.00 0.00 C ATOM 886 C GLY A 59 -4.785 11.504 6.471 1.00 0.00 C ATOM 887 O GLY A 59 -4.184 12.449 6.980 1.00 0.00 O ATOM 0 H GLY A 59 -6.726 9.969 4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.203 11.631 4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.130 12.751 5.336 1.00 0.00 H new ATOM 891 N ASN A 60 -4.672 10.243 6.863 1.00 0.00 N ATOM 892 CA ASN A 60 -3.798 9.878 7.964 1.00 0.00 C ATOM 893 C ASN A 60 -2.357 9.785 7.456 1.00 0.00 C ATOM 894 O ASN A 60 -1.414 9.816 8.245 1.00 0.00 O ATOM 895 CB ASN A 60 -4.183 8.516 8.545 1.00 0.00 C ATOM 896 CG ASN A 60 -3.919 7.395 7.537 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.935 7.592 6.333 1.00 0.00 O ATOM 898 ND2 ASN A 60 -3.677 6.212 8.094 1.00 0.00 N ATOM 0 H ASN A 60 -5.171 9.462 6.438 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.894 10.640 8.737 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.614 8.332 9.456 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.237 8.520 8.822 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.490 5.400 7.506 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.679 6.117 9.110 1.00 0.00 H new ATOM 905 N GLY A 61 -2.233 9.672 6.142 1.00 0.00 N ATOM 906 CA GLY A 61 -0.924 9.574 5.519 1.00 0.00 C ATOM 907 C GLY A 61 -0.575 8.119 5.202 1.00 0.00 C ATOM 908 O GLY A 61 0.144 7.844 4.242 1.00 0.00 O ATOM 0 H GLY A 61 -3.018 9.646 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.909 10.163 4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.169 9.997 6.182 1.00 0.00 H new ATOM 912 N THR A 62 -1.101 7.224 6.026 1.00 0.00 N ATOM 913 CA THR A 62 -0.855 5.804 5.844 1.00 0.00 C ATOM 914 C THR A 62 -2.060 5.134 5.181 1.00 0.00 C ATOM 915 O THR A 62 -3.128 5.734 5.076 1.00 0.00 O ATOM 916 CB THR A 62 -0.502 5.207 7.208 1.00 0.00 C ATOM 917 OG1 THR A 62 0.185 6.260 7.880 1.00 0.00 O ATOM 918 CG2 THR A 62 0.537 4.089 7.107 1.00 0.00 C ATOM 0 H THR A 62 -1.696 7.455 6.821 1.00 0.00 H new ATOM 0 HA THR A 62 -0.016 5.631 5.170 1.00 0.00 H new ATOM 0 HB THR A 62 -1.405 4.821 7.680 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.449 5.960 8.775 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.751 3.701 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.148 3.286 6.480 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.453 4.482 6.666 1.00 0.00 H new ATOM 926 N ILE A 63 -1.847 3.899 4.751 1.00 0.00 N ATOM 927 CA ILE A 63 -2.903 3.141 4.101 1.00 0.00 C ATOM 928 C ILE A 63 -3.271 1.937 4.972 1.00 0.00 C ATOM 929 O ILE A 63 -2.395 1.290 5.544 1.00 0.00 O ATOM 930 CB ILE A 63 -2.493 2.766 2.675 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.310 4.015 1.811 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.491 1.783 2.059 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.485 4.192 0.847 1.00 0.00 C ATOM 0 H ILE A 63 -0.959 3.404 4.840 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.802 3.749 4.000 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.528 2.261 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.224 4.894 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.381 3.938 1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.177 1.533 1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.528 0.876 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.480 2.239 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.330 5.087 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.554 3.322 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.410 4.293 1.415 1.00 0.00 H new ATOM 945 N ASP A 64 -4.567 1.674 5.044 1.00 0.00 N ATOM 946 CA ASP A 64 -5.062 0.560 5.835 1.00 0.00 C ATOM 947 C ASP A 64 -5.624 -0.513 4.901 1.00 0.00 C ATOM 948 O ASP A 64 -5.480 -0.418 3.683 1.00 0.00 O ATOM 949 CB ASP A 64 -6.185 1.006 6.773 1.00 0.00 C ATOM 950 CG ASP A 64 -5.832 2.176 7.694 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.617 2.400 7.887 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.785 2.821 8.183 1.00 0.00 O ATOM 0 H ASP A 64 -5.290 2.213 4.567 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.232 0.171 6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.051 1.285 6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.484 0.157 7.388 1.00 0.00 H new ATOM 957 N PHE A 65 -6.254 -1.509 5.507 1.00 0.00 N ATOM 958 CA PHE A 65 -6.839 -2.599 4.745 1.00 0.00 C ATOM 959 C PHE A 65 -8.133 -2.156 4.060 1.00 0.00 C ATOM 960 O PHE A 65 -8.352 -2.453 2.886 1.00 0.00 O ATOM 961 CB PHE A 65 -7.158 -3.718 5.738 1.00 0.00 C ATOM 962 CG PHE A 65 -7.417 -5.076 5.082 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.574 -5.539 4.120 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.490 -5.821 5.462 1.00 0.00 C ATOM 965 CE1 PHE A 65 -6.814 -6.799 3.512 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.730 -7.082 4.853 1.00 0.00 C ATOM 967 CZ PHE A 65 -7.887 -7.544 3.891 1.00 0.00 C ATOM 0 H PHE A 65 -6.372 -1.584 6.517 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.145 -2.927 3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.328 -3.816 6.438 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.034 -3.434 6.321 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.722 -4.948 3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.159 -5.454 6.226 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.144 -7.166 2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.582 -7.674 5.154 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.070 -8.502 3.428 1.00 0.00 H new ATOM 977 N PRO A 66 -8.979 -1.434 4.842 1.00 0.00 N ATOM 978 CA PRO A 66 -10.246 -0.947 4.323 1.00 0.00 C ATOM 979 C PRO A 66 -10.034 0.247 3.391 1.00 0.00 C ATOM 980 O PRO A 66 -10.960 0.672 2.700 1.00 0.00 O ATOM 981 CB PRO A 66 -11.068 -0.601 5.554 1.00 0.00 C ATOM 982 CG PRO A 66 -10.073 -0.466 6.696 1.00 0.00 C ATOM 983 CD PRO A 66 -8.753 -1.063 6.236 1.00 0.00 C ATOM 0 HA PRO A 66 -10.762 -1.686 3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.621 0.327 5.406 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.801 -1.379 5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.944 0.582 6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.438 -0.983 7.583 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.940 -0.343 6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.480 -1.930 6.837 1.00 0.00 H new ATOM 991 N GLU A 67 -8.810 0.755 3.400 1.00 0.00 N ATOM 992 CA GLU A 67 -8.465 1.891 2.563 1.00 0.00 C ATOM 993 C GLU A 67 -7.798 1.416 1.271 1.00 0.00 C ATOM 994 O GLU A 67 -7.891 2.080 0.240 1.00 0.00 O ATOM 995 CB GLU A 67 -7.565 2.873 3.316 1.00 0.00 C ATOM 996 CG GLU A 67 -8.006 3.013 4.774 1.00 0.00 C ATOM 997 CD GLU A 67 -8.949 4.205 4.950 1.00 0.00 C ATOM 998 OE1 GLU A 67 -10.121 4.067 4.536 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.478 5.227 5.494 1.00 0.00 O ATOM 0 H GLU A 67 -8.045 0.400 3.974 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.383 2.417 2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.532 2.529 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.595 3.847 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.505 2.099 5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.131 3.140 5.412 1.00 0.00 H new ATOM 1006 N PHE A 68 -7.141 0.270 1.369 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.459 -0.302 0.220 1.00 0.00 C ATOM 1008 C PHE A 68 -7.365 -1.288 -0.521 1.00 0.00 C ATOM 1009 O PHE A 68 -7.332 -1.364 -1.748 1.00 0.00 O ATOM 1010 CB PHE A 68 -5.237 -1.053 0.754 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.830 -2.261 -0.092 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.551 -3.413 -0.025 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.748 -2.183 -0.912 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -5.173 -4.534 -0.810 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.371 -3.304 -1.698 1.00 0.00 C ATOM 1016 CZ PHE A 68 -4.091 -4.456 -1.630 1.00 0.00 C ATOM 0 H PHE A 68 -7.066 -0.278 2.226 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.179 0.487 -0.478 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.396 -0.363 0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.445 -1.388 1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.411 -3.475 0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.176 -1.269 -0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.745 -5.449 -0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.512 -3.242 -2.350 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.803 -5.309 -2.227 1.00 0.00 H new ATOM 1026 N LEU A 69 -8.152 -2.017 0.256 1.00 0.00 N ATOM 1027 CA LEU A 69 -9.066 -2.994 -0.312 1.00 0.00 C ATOM 1028 C LEU A 69 -9.669 -2.433 -1.601 1.00 0.00 C ATOM 1029 O LEU A 69 -9.832 -3.158 -2.582 1.00 0.00 O ATOM 1030 CB LEU A 69 -10.110 -3.416 0.723 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.711 -4.570 1.646 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.603 -4.611 2.889 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.716 -5.901 0.893 1.00 0.00 C ATOM 0 H LEU A 69 -8.176 -1.951 1.274 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.531 -3.905 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.352 -2.550 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.022 -3.697 0.196 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.690 -4.397 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.299 -5.440 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.505 -3.674 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.641 -4.748 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.429 -6.704 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.715 -6.095 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.007 -5.854 0.066 1.00 0.00 H new ATOM 1045 N THR A 70 -9.985 -1.147 -1.558 1.00 0.00 N ATOM 1046 CA THR A 70 -10.568 -0.481 -2.710 1.00 0.00 C ATOM 1047 C THR A 70 -9.644 -0.608 -3.923 1.00 0.00 C ATOM 1048 O THR A 70 -10.077 -1.024 -4.997 1.00 0.00 O ATOM 1049 CB THR A 70 -10.861 0.969 -2.319 1.00 0.00 C ATOM 1050 OG1 THR A 70 -11.274 1.581 -3.538 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.597 1.737 -1.927 1.00 0.00 C ATOM 0 H THR A 70 -9.848 -0.549 -0.743 1.00 0.00 H new ATOM 0 HA THR A 70 -11.507 -0.950 -3.005 1.00 0.00 H new ATOM 0 HB THR A 70 -11.568 0.985 -1.489 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.174 1.953 -3.429 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.861 2.760 -1.659 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.124 1.249 -1.075 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.904 1.750 -2.768 1.00 0.00 H new ATOM 1059 N MET A 71 -8.388 -0.242 -3.712 1.00 0.00 N ATOM 1060 CA MET A 71 -7.400 -0.310 -4.774 1.00 0.00 C ATOM 1061 C MET A 71 -7.594 -1.567 -5.624 1.00 0.00 C ATOM 1062 O MET A 71 -7.664 -1.487 -6.850 1.00 0.00 O ATOM 1063 CB MET A 71 -5.996 -0.317 -4.166 1.00 0.00 C ATOM 1064 CG MET A 71 -5.116 0.760 -4.805 1.00 0.00 C ATOM 1065 SD MET A 71 -3.725 0.004 -5.628 1.00 0.00 S ATOM 1066 CE MET A 71 -3.075 1.418 -6.501 1.00 0.00 C ATOM 0 H MET A 71 -8.032 0.103 -2.820 1.00 0.00 H new ATOM 0 HA MET A 71 -7.524 0.563 -5.416 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.061 -0.148 -3.091 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.539 -1.296 -4.308 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.699 1.341 -5.519 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.764 1.454 -4.041 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.195 1.120 -7.071 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.834 1.806 -7.180 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.799 2.192 -5.785 1.00 0.00 H new ATOM 1076 N MET A 72 -7.676 -2.699 -4.940 1.00 0.00 N ATOM 1077 CA MET A 72 -7.861 -3.971 -5.617 1.00 0.00 C ATOM 1078 C MET A 72 -9.188 -4.000 -6.377 1.00 0.00 C ATOM 1079 O MET A 72 -9.227 -4.361 -7.552 1.00 0.00 O ATOM 1080 CB MET A 72 -7.837 -5.104 -4.589 1.00 0.00 C ATOM 1081 CG MET A 72 -6.462 -5.213 -3.926 1.00 0.00 C ATOM 1082 SD MET A 72 -5.648 -6.713 -4.449 1.00 0.00 S ATOM 1083 CE MET A 72 -4.387 -6.028 -5.509 1.00 0.00 C ATOM 0 H MET A 72 -7.618 -2.761 -3.924 1.00 0.00 H new ATOM 0 HA MET A 72 -7.050 -4.101 -6.334 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.598 -4.927 -3.829 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.086 -6.047 -5.076 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.853 -4.348 -4.189 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.571 -5.208 -2.841 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.782 -6.835 -5.923 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.856 -5.473 -6.321 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.751 -5.357 -4.931 1.00 0.00 H new ATOM 1093 N ALA A 73 -10.244 -3.613 -5.676 1.00 0.00 N ATOM 1094 CA ALA A 73 -11.570 -3.590 -6.270 1.00 0.00 C ATOM 1095 C ALA A 73 -11.537 -2.747 -7.546 1.00 0.00 C ATOM 1096 O ALA A 73 -12.104 -3.136 -8.566 1.00 0.00 O ATOM 1097 CB ALA A 73 -12.578 -3.062 -5.248 1.00 0.00 C ATOM 0 H ALA A 73 -10.208 -3.313 -4.702 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.884 -4.596 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.573 -3.045 -5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.584 -3.712 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.297 -2.052 -4.948 1.00 0.00 H new ATOM 1103 N ARG A 74 -10.868 -1.607 -7.448 1.00 0.00 N ATOM 1104 CA ARG A 74 -10.754 -0.706 -8.581 1.00 0.00 C ATOM 1105 C ARG A 74 -9.282 -0.429 -8.894 1.00 0.00 C ATOM 1106 O ARG A 74 -8.779 0.659 -8.619 1.00 0.00 O ATOM 1107 CB ARG A 74 -11.467 0.620 -8.305 1.00 0.00 C ATOM 1108 CG ARG A 74 -12.935 0.387 -7.942 1.00 0.00 C ATOM 1109 CD ARG A 74 -13.130 0.380 -6.424 1.00 0.00 C ATOM 1110 NE ARG A 74 -12.631 1.647 -5.844 1.00 0.00 N ATOM 1111 CZ ARG A 74 -13.313 2.801 -5.860 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -14.526 2.854 -6.426 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -12.781 3.901 -5.310 1.00 0.00 N ATOM 0 H ARG A 74 -10.399 -1.287 -6.600 1.00 0.00 H new ATOM 0 HA ARG A 74 -11.227 -1.189 -9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.966 1.144 -7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.403 1.261 -9.184 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.552 1.167 -8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.270 -0.562 -8.360 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -14.186 0.252 -6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.599 -0.465 -5.985 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.711 1.642 -5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.930 2.016 -6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -15.045 3.732 -6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.857 3.860 -4.879 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.300 4.779 -5.322 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.633 -1.434 -9.464 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.228 -1.312 -9.817 1.00 0.00 C ATOM 1129 C LYS A 75 -7.034 -0.080 -10.703 1.00 0.00 C ATOM 1130 O LYS A 75 -6.914 1.036 -10.202 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.721 -2.610 -10.448 1.00 0.00 C ATOM 1132 CG LYS A 75 -6.442 -2.422 -11.941 1.00 0.00 C ATOM 1133 CD LYS A 75 -6.355 -3.771 -12.657 1.00 0.00 C ATOM 1134 CE LYS A 75 -6.390 -3.588 -14.176 1.00 0.00 C ATOM 1135 NZ LYS A 75 -7.784 -3.637 -14.671 1.00 0.00 N ATOM 1136 OXT LYS A 75 -7.009 -0.326 -12.005 1.00 0.00 O ATOM 0 H LYS A 75 -9.053 -2.335 -9.690 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.622 -1.160 -8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.811 -2.933 -9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.460 -3.399 -10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.232 -1.819 -12.389 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.509 -1.875 -12.074 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.435 -4.281 -12.370 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.183 -4.407 -12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.936 -2.634 -14.444 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.799 -4.368 -14.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.790 -3.511 -15.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.205 -4.557 -14.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.337 -2.877 -14.226 1.00 0.00 H new TER 1150 LYS A 75 HETATM 1151 CE CE A 76 3.349 -0.698 7.721 1.00 0.00 CE HETATM 1152 CE CE A 77 -5.620 5.794 5.938 1.00 0.00 CE