USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 571 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 60 ASN : amide:sc= -0.922! C(o=-0.92!,f=-1.1!) USER MOD Set 2.1: A 24 ASN : amide:sc= -3.6! C(o=-4.9!,f=-18!) USER MOD Set 2.2: A 26 SER OG : rot -38:sc= -1.27 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0.00857 USER MOD Set 3.2: A 73 SER OG : rot 170:sc= 0 USER MOD Single : A 1 SER N :NH3+ -141:sc= 0.00667 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.266 K(o=-0.27,f=-3.1!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -1.4! USER MOD Single : A 8 GLN : amide:sc= -1.92 K(o=-1.9,f=-0.012) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.225 K(o=-0.23,f=-2.1!) USER MOD Single : A 29 SER OG : rot 180:sc= -0.786 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -148:sc= -2.15 (180deg=-3.83) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.205 K(o=-0.21,f=-2.2!) USER MOD Single : A 52 MET CE :methyl -167:sc= -3.84! (180deg=-3.96!) USER MOD Single : A 53 ASN : amide:sc= -0.225 K(o=-0.23,f=-2.6!) USER MOD Single : A 61 HIS : no HE2:sc= -10.7! C(o=-11!,f=-12!) USER MOD Single : A 62 GLN : amide:sc= -2.59! K(o=-2.6!,f=-1.7) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -146:sc= -0.316 (180deg=-1.8!) USER MOD Single : A 75 GLN : amide:sc= -0.609 K(o=-0.61,f=-1.8!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.249 -2.585 -14.750 1.00 0.00 N ATOM 2 CA SER A 1 -13.147 -1.609 -14.515 1.00 0.00 C ATOM 3 C SER A 1 -12.403 -1.326 -15.824 1.00 0.00 C ATOM 4 O SER A 1 -12.822 -1.736 -16.889 1.00 0.00 O ATOM 5 CB SER A 1 -12.221 -2.291 -13.511 1.00 0.00 C ATOM 6 OG SER A 1 -11.786 -1.338 -12.550 1.00 0.00 O ATOM 0 H1 SER A 1 -15.080 -2.313 -14.186 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.501 -2.588 -15.759 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.936 -3.536 -14.469 1.00 0.00 H new ATOM 0 HA SER A 1 -13.515 -0.652 -14.145 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.742 -3.111 -13.017 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.363 -2.723 -14.026 1.00 0.00 H new ATOM 0 HG SER A 1 -11.193 -1.773 -11.903 1.00 0.00 H new ATOM 14 N SER A 2 -11.304 -0.627 -15.753 1.00 0.00 N ATOM 15 CA SER A 2 -10.535 -0.318 -16.994 1.00 0.00 C ATOM 16 C SER A 2 -9.341 -1.267 -17.125 1.00 0.00 C ATOM 17 O SER A 2 -8.439 -1.262 -16.310 1.00 0.00 O ATOM 18 CB SER A 2 -10.059 1.122 -16.816 1.00 0.00 C ATOM 19 OG SER A 2 -10.873 1.769 -15.847 1.00 0.00 O ATOM 0 H SER A 2 -10.905 -0.256 -14.891 1.00 0.00 H new ATOM 0 HA SER A 2 -11.137 -0.439 -17.895 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.016 1.136 -16.500 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.111 1.654 -17.766 1.00 0.00 H new ATOM 0 HG SER A 2 -10.569 2.693 -15.729 1.00 0.00 H new ATOM 25 N ASN A 3 -9.327 -2.082 -18.145 1.00 0.00 N ATOM 26 CA ASN A 3 -8.190 -3.030 -18.327 1.00 0.00 C ATOM 27 C ASN A 3 -8.015 -3.892 -17.075 1.00 0.00 C ATOM 28 O ASN A 3 -6.913 -4.246 -16.703 1.00 0.00 O ATOM 29 CB ASN A 3 -6.965 -2.140 -18.543 1.00 0.00 C ATOM 30 CG ASN A 3 -6.121 -2.704 -19.688 1.00 0.00 C ATOM 31 OD1 ASN A 3 -6.591 -3.511 -20.465 1.00 0.00 O ATOM 32 ND2 ASN A 3 -4.885 -2.309 -19.826 1.00 0.00 N ATOM 0 H ASN A 3 -10.053 -2.132 -18.860 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.350 -3.713 -19.161 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.278 -1.122 -18.775 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -6.372 -2.091 -17.630 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -4.314 -2.678 -20.586 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.490 -1.631 -19.174 1.00 0.00 H new ATOM 39 N LEU A 4 -9.091 -4.232 -16.421 1.00 0.00 N ATOM 40 CA LEU A 4 -8.984 -5.072 -15.194 1.00 0.00 C ATOM 41 C LEU A 4 -10.161 -6.050 -15.117 1.00 0.00 C ATOM 42 O LEU A 4 -11.107 -5.959 -15.876 1.00 0.00 O ATOM 43 CB LEU A 4 -9.033 -4.080 -14.030 1.00 0.00 C ATOM 44 CG LEU A 4 -8.129 -4.574 -12.899 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.665 -4.481 -13.334 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.348 -3.705 -11.658 1.00 0.00 C ATOM 0 H LEU A 4 -10.040 -3.965 -16.683 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.073 -5.671 -15.181 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.709 -3.094 -14.365 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.057 -3.974 -13.671 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.372 -5.611 -12.667 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.023 -4.833 -12.527 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.508 -5.098 -14.218 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.420 -3.445 -13.567 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.705 -4.055 -10.851 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.105 -2.669 -11.892 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.390 -3.772 -11.346 1.00 0.00 H new ATOM 58 N THR A 5 -10.112 -6.982 -14.206 1.00 0.00 N ATOM 59 CA THR A 5 -11.228 -7.964 -14.080 1.00 0.00 C ATOM 60 C THR A 5 -11.149 -8.684 -12.730 1.00 0.00 C ATOM 61 O THR A 5 -10.227 -8.486 -11.964 1.00 0.00 O ATOM 62 CB THR A 5 -11.018 -8.955 -15.227 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.142 -8.386 -16.190 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.364 -9.270 -15.883 1.00 0.00 C ATOM 0 H THR A 5 -9.347 -7.107 -13.542 1.00 0.00 H new ATOM 0 HA THR A 5 -12.206 -7.485 -14.129 1.00 0.00 H new ATOM 0 HB THR A 5 -10.581 -9.874 -14.837 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.006 -9.021 -16.924 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.214 -9.976 -16.700 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.035 -9.707 -15.144 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.803 -8.351 -16.273 1.00 0.00 H new ATOM 72 N GLU A 6 -12.110 -9.515 -12.433 1.00 0.00 N ATOM 73 CA GLU A 6 -12.089 -10.244 -11.132 1.00 0.00 C ATOM 74 C GLU A 6 -10.754 -10.973 -10.952 1.00 0.00 C ATOM 75 O GLU A 6 -10.140 -10.912 -9.904 1.00 0.00 O ATOM 76 CB GLU A 6 -13.244 -11.245 -11.216 1.00 0.00 C ATOM 77 CG GLU A 6 -13.122 -12.071 -12.498 1.00 0.00 C ATOM 78 CD GLU A 6 -12.344 -13.356 -12.206 1.00 0.00 C ATOM 79 OE1 GLU A 6 -11.978 -13.555 -11.059 1.00 0.00 O ATOM 80 OE2 GLU A 6 -12.128 -14.119 -13.133 1.00 0.00 O ATOM 0 H GLU A 6 -12.908 -9.721 -13.034 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.197 -9.571 -10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.232 -11.902 -10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.197 -10.716 -11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.113 -12.313 -12.883 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.613 -11.492 -13.269 1.00 0.00 H new ATOM 87 N GLU A 7 -10.297 -11.659 -11.963 1.00 0.00 N ATOM 88 CA GLU A 7 -9.001 -12.386 -11.844 1.00 0.00 C ATOM 89 C GLU A 7 -7.853 -11.388 -11.676 1.00 0.00 C ATOM 90 O GLU A 7 -6.930 -11.611 -10.919 1.00 0.00 O ATOM 91 CB GLU A 7 -8.855 -13.157 -13.157 1.00 0.00 C ATOM 92 CG GLU A 7 -8.578 -14.631 -12.856 1.00 0.00 C ATOM 93 CD GLU A 7 -7.102 -14.811 -12.492 1.00 0.00 C ATOM 94 OE1 GLU A 7 -6.266 -14.423 -13.290 1.00 0.00 O ATOM 95 OE2 GLU A 7 -6.836 -15.332 -11.422 1.00 0.00 O ATOM 0 H GLU A 7 -10.764 -11.748 -12.865 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.976 -13.049 -10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.764 -13.061 -13.750 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.042 -12.737 -13.749 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.210 -14.970 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.827 -15.243 -13.723 1.00 0.00 H new ATOM 102 N GLN A 8 -7.907 -10.287 -12.374 1.00 0.00 N ATOM 103 CA GLN A 8 -6.821 -9.274 -12.247 1.00 0.00 C ATOM 104 C GLN A 8 -6.721 -8.799 -10.796 1.00 0.00 C ATOM 105 O GLN A 8 -5.719 -8.994 -10.136 1.00 0.00 O ATOM 106 CB GLN A 8 -7.239 -8.124 -13.163 1.00 0.00 C ATOM 107 CG GLN A 8 -6.032 -7.655 -13.977 1.00 0.00 C ATOM 108 CD GLN A 8 -5.913 -8.499 -15.247 1.00 0.00 C ATOM 109 OE1 GLN A 8 -5.330 -8.072 -16.223 1.00 0.00 O ATOM 110 NE2 GLN A 8 -6.445 -9.690 -15.276 1.00 0.00 N ATOM 0 H GLN A 8 -8.654 -10.045 -13.025 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.845 -9.673 -12.522 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.037 -8.449 -13.831 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.634 -7.299 -12.571 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.142 -6.602 -14.237 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.123 -7.743 -13.383 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.935 -10.050 -14.457 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.371 -10.261 -16.118 1.00 0.00 H new ATOM 119 N ILE A 9 -7.754 -8.183 -10.292 1.00 0.00 N ATOM 120 CA ILE A 9 -7.718 -7.704 -8.880 1.00 0.00 C ATOM 121 C ILE A 9 -7.217 -8.826 -7.967 1.00 0.00 C ATOM 122 O ILE A 9 -6.531 -8.587 -6.993 1.00 0.00 O ATOM 123 CB ILE A 9 -9.165 -7.343 -8.545 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.630 -6.207 -9.460 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.253 -6.889 -7.087 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.042 -5.776 -9.062 1.00 0.00 C ATOM 0 H ILE A 9 -8.620 -7.990 -10.795 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.049 -6.854 -8.744 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.801 -8.215 -8.693 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.946 -5.362 -9.385 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.618 -6.535 -10.499 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.285 -6.631 -6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.920 -7.696 -6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.617 -6.016 -6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.373 -4.967 -9.714 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.722 -6.622 -9.160 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.039 -5.431 -8.028 1.00 0.00 H new ATOM 138 N ALA A 10 -7.554 -10.047 -8.278 1.00 0.00 N ATOM 139 CA ALA A 10 -7.094 -11.185 -7.432 1.00 0.00 C ATOM 140 C ALA A 10 -5.566 -11.191 -7.352 1.00 0.00 C ATOM 141 O ALA A 10 -4.990 -11.046 -6.291 1.00 0.00 O ATOM 142 CB ALA A 10 -7.601 -12.439 -8.147 1.00 0.00 C ATOM 0 H ALA A 10 -8.128 -10.306 -9.081 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.467 -11.122 -6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.302 -13.324 -7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.688 -12.403 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.174 -12.484 -9.149 1.00 0.00 H new ATOM 148 N GLU A 11 -4.905 -11.351 -8.466 1.00 0.00 N ATOM 149 CA GLU A 11 -3.415 -11.358 -8.451 1.00 0.00 C ATOM 150 C GLU A 11 -2.897 -10.098 -7.755 1.00 0.00 C ATOM 151 O GLU A 11 -1.861 -10.108 -7.119 1.00 0.00 O ATOM 152 CB GLU A 11 -3.003 -11.367 -9.923 1.00 0.00 C ATOM 153 CG GLU A 11 -2.972 -12.808 -10.437 1.00 0.00 C ATOM 154 CD GLU A 11 -1.590 -13.412 -10.181 1.00 0.00 C ATOM 155 OE1 GLU A 11 -0.823 -12.800 -9.456 1.00 0.00 O ATOM 156 OE2 GLU A 11 -1.323 -14.476 -10.714 1.00 0.00 O ATOM 0 H GLU A 11 -5.331 -11.477 -9.384 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.007 -12.213 -7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.704 -10.775 -10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.022 -10.907 -10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.738 -13.400 -9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.198 -12.830 -11.503 1.00 0.00 H new ATOM 163 N PHE A 12 -3.616 -9.013 -7.865 1.00 0.00 N ATOM 164 CA PHE A 12 -3.170 -7.754 -7.205 1.00 0.00 C ATOM 165 C PHE A 12 -3.199 -7.925 -5.685 1.00 0.00 C ATOM 166 O PHE A 12 -2.279 -7.546 -4.988 1.00 0.00 O ATOM 167 CB PHE A 12 -4.181 -6.695 -7.643 1.00 0.00 C ATOM 168 CG PHE A 12 -3.832 -6.200 -9.027 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.676 -7.111 -10.079 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.668 -4.830 -9.258 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.357 -6.650 -11.362 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.347 -4.369 -10.541 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.193 -5.279 -11.593 1.00 0.00 C ATOM 0 H PHE A 12 -4.492 -8.945 -8.383 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.151 -7.480 -7.479 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.187 -7.115 -7.639 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.180 -5.864 -6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.802 -8.169 -9.901 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.789 -4.128 -8.447 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.237 -7.352 -12.174 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.218 -3.311 -10.718 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.948 -4.924 -12.583 1.00 0.00 H new ATOM 183 N LYS A 13 -4.252 -8.499 -5.165 1.00 0.00 N ATOM 184 CA LYS A 13 -4.337 -8.699 -3.691 1.00 0.00 C ATOM 185 C LYS A 13 -3.137 -9.515 -3.207 1.00 0.00 C ATOM 186 O LYS A 13 -2.444 -9.132 -2.285 1.00 0.00 O ATOM 187 CB LYS A 13 -5.638 -9.471 -3.469 1.00 0.00 C ATOM 188 CG LYS A 13 -5.858 -9.682 -1.970 1.00 0.00 C ATOM 189 CD LYS A 13 -7.156 -8.994 -1.542 1.00 0.00 C ATOM 190 CE LYS A 13 -7.009 -8.470 -0.111 1.00 0.00 C ATOM 191 NZ LYS A 13 -7.996 -9.249 0.686 1.00 0.00 N ATOM 0 H LYS A 13 -5.054 -8.837 -5.697 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.327 -7.758 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.477 -8.921 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.594 -10.433 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.908 -10.747 -1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.017 -9.277 -1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.385 -8.172 -2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.988 -9.696 -1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.995 -8.618 0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.215 -7.401 -0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.955 -8.947 1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.952 -9.083 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.771 -10.262 0.623 1.00 0.00 H new ATOM 205 N GLU A 14 -2.883 -10.636 -3.826 1.00 0.00 N ATOM 206 CA GLU A 14 -1.722 -11.470 -3.404 1.00 0.00 C ATOM 207 C GLU A 14 -0.454 -10.615 -3.374 1.00 0.00 C ATOM 208 O GLU A 14 0.370 -10.737 -2.490 1.00 0.00 O ATOM 209 CB GLU A 14 -1.609 -12.563 -4.467 1.00 0.00 C ATOM 210 CG GLU A 14 -2.880 -13.416 -4.459 1.00 0.00 C ATOM 211 CD GLU A 14 -3.049 -14.093 -5.821 1.00 0.00 C ATOM 212 OE1 GLU A 14 -2.260 -13.806 -6.705 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.965 -14.888 -5.956 1.00 0.00 O ATOM 0 H GLU A 14 -3.428 -11.009 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.851 -11.890 -2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.465 -12.115 -5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.738 -13.188 -4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.821 -14.168 -3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.747 -12.793 -4.240 1.00 0.00 H new ATOM 220 N ALA A 15 -0.295 -9.745 -4.334 1.00 0.00 N ATOM 221 CA ALA A 15 0.914 -8.875 -4.363 1.00 0.00 C ATOM 222 C ALA A 15 0.844 -7.844 -3.234 1.00 0.00 C ATOM 223 O ALA A 15 1.578 -7.914 -2.269 1.00 0.00 O ATOM 224 CB ALA A 15 0.871 -8.183 -5.726 1.00 0.00 C ATOM 0 H ALA A 15 -0.952 -9.599 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 15 1.836 -9.440 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.732 -7.522 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.897 -8.934 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.046 -7.600 -5.809 1.00 0.00 H new ATOM 230 N PHE A 16 -0.039 -6.889 -3.347 1.00 0.00 N ATOM 231 CA PHE A 16 -0.163 -5.855 -2.281 1.00 0.00 C ATOM 232 C PHE A 16 -0.079 -6.505 -0.897 1.00 0.00 C ATOM 233 O PHE A 16 0.662 -6.068 -0.039 1.00 0.00 O ATOM 234 CB PHE A 16 -1.543 -5.234 -2.498 1.00 0.00 C ATOM 235 CG PHE A 16 -1.745 -4.096 -1.528 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.331 -2.802 -1.869 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.347 -4.334 -0.287 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.521 -1.747 -0.969 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.536 -3.279 0.613 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.123 -1.985 0.273 1.00 0.00 C ATOM 0 H PHE A 16 -0.680 -6.780 -4.133 1.00 0.00 H new ATOM 0 HA PHE A 16 0.634 -5.113 -2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.633 -4.872 -3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.318 -5.987 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.865 -2.618 -2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.666 -5.332 -0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.203 -0.749 -1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.001 -3.463 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.269 -1.171 0.968 1.00 0.00 H new ATOM 250 N ALA A 17 -0.835 -7.546 -0.675 1.00 0.00 N ATOM 251 CA ALA A 17 -0.801 -8.223 0.654 1.00 0.00 C ATOM 252 C ALA A 17 0.555 -8.903 0.871 1.00 0.00 C ATOM 253 O ALA A 17 1.017 -9.043 1.986 1.00 0.00 O ATOM 254 CB ALA A 17 -1.920 -9.262 0.596 1.00 0.00 C ATOM 0 H ALA A 17 -1.474 -7.957 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.937 -7.522 1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.961 -9.805 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.873 -8.761 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.725 -9.961 -0.217 1.00 0.00 H new ATOM 260 N LEU A 18 1.192 -9.329 -0.184 1.00 0.00 N ATOM 261 CA LEU A 18 2.515 -10.001 -0.032 1.00 0.00 C ATOM 262 C LEU A 18 3.463 -9.126 0.793 1.00 0.00 C ATOM 263 O LEU A 18 4.413 -9.607 1.380 1.00 0.00 O ATOM 264 CB LEU A 18 3.042 -10.168 -1.457 1.00 0.00 C ATOM 265 CG LEU A 18 3.449 -11.625 -1.685 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.641 -11.874 -3.181 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.763 -11.906 -0.950 1.00 0.00 C ATOM 0 H LEU A 18 0.856 -9.242 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 18 2.434 -10.956 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.276 -9.877 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.897 -9.511 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 18 2.669 -12.284 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.931 -12.912 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.708 -11.672 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.422 -11.216 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.055 -12.944 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.542 -11.246 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.628 -11.728 0.117 1.00 0.00 H new ATOM 279 N PHE A 19 3.214 -7.846 0.844 1.00 0.00 N ATOM 280 CA PHE A 19 4.103 -6.945 1.634 1.00 0.00 C ATOM 281 C PHE A 19 3.303 -6.250 2.740 1.00 0.00 C ATOM 282 O PHE A 19 3.748 -5.282 3.326 1.00 0.00 O ATOM 283 CB PHE A 19 4.626 -5.921 0.626 1.00 0.00 C ATOM 284 CG PHE A 19 5.096 -6.632 -0.620 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.176 -6.976 -1.617 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.450 -6.949 -0.778 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.610 -7.635 -2.774 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.885 -7.607 -1.935 1.00 0.00 C ATOM 289 CZ PHE A 19 5.965 -7.951 -2.932 1.00 0.00 C ATOM 0 H PHE A 19 2.435 -7.385 0.374 1.00 0.00 H new ATOM 0 HA PHE A 19 4.913 -7.487 2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.840 -5.208 0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.446 -5.351 1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.131 -6.733 -1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.160 -6.686 -0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.900 -7.899 -3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.930 -7.849 -2.058 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.300 -8.460 -3.823 1.00 0.00 H new ATOM 299 N ASP A 20 2.126 -6.734 3.028 1.00 0.00 N ATOM 300 CA ASP A 20 1.300 -6.100 4.096 1.00 0.00 C ATOM 301 C ASP A 20 1.810 -6.518 5.478 1.00 0.00 C ATOM 302 O ASP A 20 1.205 -7.325 6.156 1.00 0.00 O ATOM 303 CB ASP A 20 -0.116 -6.627 3.867 1.00 0.00 C ATOM 304 CG ASP A 20 -0.145 -8.138 4.104 1.00 0.00 C ATOM 305 OD1 ASP A 20 0.916 -8.708 4.296 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.228 -8.699 4.090 1.00 0.00 O ATOM 0 H ASP A 20 1.700 -7.540 2.571 1.00 0.00 H new ATOM 0 HA ASP A 20 1.342 -5.011 4.058 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.814 -6.129 4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.439 -6.402 2.851 1.00 0.00 H new ATOM 311 N LYS A 21 2.919 -5.976 5.901 1.00 0.00 N ATOM 312 CA LYS A 21 3.467 -6.343 7.239 1.00 0.00 C ATOM 313 C LYS A 21 2.363 -6.279 8.298 1.00 0.00 C ATOM 314 O LYS A 21 2.249 -7.146 9.143 1.00 0.00 O ATOM 315 CB LYS A 21 4.546 -5.299 7.526 1.00 0.00 C ATOM 316 CG LYS A 21 5.565 -5.875 8.511 1.00 0.00 C ATOM 317 CD LYS A 21 6.141 -7.176 7.950 1.00 0.00 C ATOM 318 CE LYS A 21 7.669 -7.129 8.015 1.00 0.00 C ATOM 319 NZ LYS A 21 8.128 -7.992 6.891 1.00 0.00 N ATOM 0 H LYS A 21 3.470 -5.295 5.379 1.00 0.00 H new ATOM 0 HA LYS A 21 3.867 -7.357 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.043 -5.010 6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.094 -4.398 7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.366 -5.156 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.090 -6.061 9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.768 -8.027 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.815 -7.316 6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.038 -6.109 7.906 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.035 -7.500 8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.168 -8.010 6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.767 -8.958 7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.770 -7.611 5.992 1.00 0.00 H new ATOM 333 N ASP A 22 1.550 -5.258 8.261 1.00 0.00 N ATOM 334 CA ASP A 22 0.455 -5.140 9.266 1.00 0.00 C ATOM 335 C ASP A 22 -0.547 -6.286 9.095 1.00 0.00 C ATOM 336 O ASP A 22 -1.249 -6.652 10.016 1.00 0.00 O ATOM 337 CB ASP A 22 -0.211 -3.797 8.971 1.00 0.00 C ATOM 338 CG ASP A 22 0.457 -2.702 9.805 1.00 0.00 C ATOM 339 OD1 ASP A 22 0.013 -2.479 10.919 1.00 0.00 O ATOM 340 OD2 ASP A 22 1.402 -2.105 9.315 1.00 0.00 O ATOM 0 H ASP A 22 1.597 -4.501 7.579 1.00 0.00 H new ATOM 0 HA ASP A 22 0.827 -5.194 10.289 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.127 -3.563 7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.275 -3.848 9.203 1.00 0.00 H new ATOM 345 N ASN A 23 -0.617 -6.854 7.922 1.00 0.00 N ATOM 346 CA ASN A 23 -1.575 -7.975 7.693 1.00 0.00 C ATOM 347 C ASN A 23 -3.016 -7.472 7.808 1.00 0.00 C ATOM 348 O ASN A 23 -3.927 -8.229 8.077 1.00 0.00 O ATOM 349 CB ASN A 23 -1.269 -8.987 8.796 1.00 0.00 C ATOM 350 CG ASN A 23 -1.103 -10.378 8.182 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.748 -10.506 7.027 1.00 0.00 O ATOM 352 ND2 ASN A 23 -1.343 -11.434 8.911 1.00 0.00 N ATOM 0 H ASN A 23 -0.054 -6.592 7.113 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.471 -8.411 6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.360 -8.701 9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.075 -8.996 9.530 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.232 -12.366 8.511 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.641 -11.327 9.881 1.00 0.00 H new ATOM 359 N ASN A 24 -3.229 -6.201 7.607 1.00 0.00 N ATOM 360 CA ASN A 24 -4.612 -5.651 7.706 1.00 0.00 C ATOM 361 C ASN A 24 -5.106 -5.214 6.324 1.00 0.00 C ATOM 362 O ASN A 24 -6.241 -4.813 6.159 1.00 0.00 O ATOM 363 CB ASN A 24 -4.493 -4.446 8.639 1.00 0.00 C ATOM 364 CG ASN A 24 -3.350 -3.545 8.166 1.00 0.00 C ATOM 365 OD1 ASN A 24 -2.739 -3.803 7.149 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.034 -2.491 8.869 1.00 0.00 N ATOM 0 H ASN A 24 -2.506 -5.519 7.378 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.324 -6.387 8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.429 -3.888 8.651 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.308 -4.780 9.660 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.273 -1.884 8.564 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.548 -2.275 9.723 1.00 0.00 H new ATOM 373 N GLY A 25 -4.263 -5.290 5.331 1.00 0.00 N ATOM 374 CA GLY A 25 -4.686 -4.878 3.963 1.00 0.00 C ATOM 375 C GLY A 25 -4.100 -3.503 3.638 1.00 0.00 C ATOM 376 O GLY A 25 -4.631 -2.765 2.832 1.00 0.00 O ATOM 0 H GLY A 25 -3.301 -5.619 5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.348 -5.611 3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.774 -4.845 3.902 1.00 0.00 H new ATOM 380 N SER A 26 -3.007 -3.152 4.260 1.00 0.00 N ATOM 381 CA SER A 26 -2.388 -1.824 3.986 1.00 0.00 C ATOM 382 C SER A 26 -0.867 -1.959 3.887 1.00 0.00 C ATOM 383 O SER A 26 -0.257 -2.744 4.587 1.00 0.00 O ATOM 384 CB SER A 26 -2.773 -0.953 5.182 1.00 0.00 C ATOM 385 OG SER A 26 -2.409 -1.619 6.383 1.00 0.00 O ATOM 0 H SER A 26 -2.517 -3.727 4.945 1.00 0.00 H new ATOM 0 HA SER A 26 -2.730 -1.396 3.044 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.270 0.012 5.121 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.845 -0.755 5.173 1.00 0.00 H new ATOM 0 HG SER A 26 -2.577 -2.580 6.288 1.00 0.00 H new ATOM 391 N ILE A 27 -0.248 -1.202 3.023 1.00 0.00 N ATOM 392 CA ILE A 27 1.233 -1.289 2.880 1.00 0.00 C ATOM 393 C ILE A 27 1.839 0.113 2.773 1.00 0.00 C ATOM 394 O ILE A 27 1.168 1.065 2.429 1.00 0.00 O ATOM 395 CB ILE A 27 1.462 -2.072 1.586 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.152 -1.175 0.384 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.543 -3.295 1.559 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.383 -1.956 -0.911 1.00 0.00 C ATOM 0 H ILE A 27 -0.704 -0.527 2.410 1.00 0.00 H new ATOM 0 HA ILE A 27 1.702 -1.772 3.737 1.00 0.00 H new ATOM 0 HB ILE A 27 2.501 -2.397 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.120 -0.828 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.787 -0.289 0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.706 -3.853 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.763 -3.935 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.496 -2.970 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.162 -1.317 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.422 -2.281 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.729 -2.828 -0.932 1.00 0.00 H new ATOM 410 N SER A 28 3.105 0.246 3.061 1.00 0.00 N ATOM 411 CA SER A 28 3.751 1.586 2.969 1.00 0.00 C ATOM 412 C SER A 28 4.133 1.882 1.516 1.00 0.00 C ATOM 413 O SER A 28 4.380 0.985 0.735 1.00 0.00 O ATOM 414 CB SER A 28 5.000 1.485 3.843 1.00 0.00 C ATOM 415 OG SER A 28 5.231 2.735 4.478 1.00 0.00 O ATOM 0 H SER A 28 3.719 -0.514 3.355 1.00 0.00 H new ATOM 0 HA SER A 28 3.091 2.389 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.872 0.702 4.591 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.862 1.208 3.236 1.00 0.00 H new ATOM 0 HG SER A 28 6.031 2.673 5.041 1.00 0.00 H new ATOM 421 N SER A 29 4.182 3.132 1.146 1.00 0.00 N ATOM 422 CA SER A 29 4.546 3.477 -0.258 1.00 0.00 C ATOM 423 C SER A 29 5.743 2.639 -0.714 1.00 0.00 C ATOM 424 O SER A 29 5.695 1.971 -1.727 1.00 0.00 O ATOM 425 CB SER A 29 4.912 4.960 -0.220 1.00 0.00 C ATOM 426 OG SER A 29 6.327 5.095 -0.216 1.00 0.00 O ATOM 0 H SER A 29 3.986 3.928 1.753 1.00 0.00 H new ATOM 0 HA SER A 29 3.734 3.277 -0.957 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.489 5.473 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.488 5.428 0.668 1.00 0.00 H new ATOM 0 HG SER A 29 6.565 6.045 -0.193 1.00 0.00 H new ATOM 432 N SER A 30 6.817 2.668 0.027 1.00 0.00 N ATOM 433 CA SER A 30 8.014 1.871 -0.367 1.00 0.00 C ATOM 434 C SER A 30 7.595 0.455 -0.770 1.00 0.00 C ATOM 435 O SER A 30 8.203 -0.165 -1.619 1.00 0.00 O ATOM 436 CB SER A 30 8.894 1.835 0.882 1.00 0.00 C ATOM 437 OG SER A 30 10.261 1.894 0.497 1.00 0.00 O ATOM 0 H SER A 30 6.918 3.208 0.887 1.00 0.00 H new ATOM 0 HA SER A 30 8.536 2.303 -1.221 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.652 2.673 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.703 0.924 1.449 1.00 0.00 H new ATOM 0 HG SER A 30 10.827 1.873 1.297 1.00 0.00 H new ATOM 443 N GLU A 31 6.559 -0.060 -0.168 1.00 0.00 N ATOM 444 CA GLU A 31 6.100 -1.436 -0.516 1.00 0.00 C ATOM 445 C GLU A 31 5.250 -1.403 -1.789 1.00 0.00 C ATOM 446 O GLU A 31 5.273 -2.321 -2.586 1.00 0.00 O ATOM 447 CB GLU A 31 5.259 -1.888 0.679 1.00 0.00 C ATOM 448 CG GLU A 31 6.081 -1.751 1.962 1.00 0.00 C ATOM 449 CD GLU A 31 7.364 -2.574 1.837 1.00 0.00 C ATOM 450 OE1 GLU A 31 7.265 -3.790 1.821 1.00 0.00 O ATOM 451 OE2 GLU A 31 8.423 -1.975 1.759 1.00 0.00 O ATOM 0 H GLU A 31 6.010 0.412 0.550 1.00 0.00 H new ATOM 0 HA GLU A 31 6.933 -2.113 -0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.353 -1.286 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.944 -2.923 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.324 -0.704 2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.499 -2.093 2.818 1.00 0.00 H new ATOM 458 N LEU A 32 4.501 -0.353 -1.989 1.00 0.00 N ATOM 459 CA LEU A 32 3.653 -0.266 -3.212 1.00 0.00 C ATOM 460 C LEU A 32 4.524 -0.396 -4.465 1.00 0.00 C ATOM 461 O LEU A 32 4.131 -0.998 -5.446 1.00 0.00 O ATOM 462 CB LEU A 32 3.004 1.117 -3.151 1.00 0.00 C ATOM 463 CG LEU A 32 2.272 1.395 -4.465 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.232 0.300 -4.712 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.571 2.753 -4.378 1.00 0.00 C ATOM 0 H LEU A 32 4.440 0.447 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 32 2.908 -1.061 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.305 1.166 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.763 1.879 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 32 2.989 1.406 -5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.710 0.498 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.730 -0.668 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.514 0.289 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.049 2.953 -5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.854 2.740 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.311 3.534 -4.201 1.00 0.00 H new ATOM 477 N ALA A 33 5.704 0.157 -4.440 1.00 0.00 N ATOM 478 CA ALA A 33 6.598 0.057 -5.629 1.00 0.00 C ATOM 479 C ALA A 33 6.847 -1.414 -5.967 1.00 0.00 C ATOM 480 O ALA A 33 6.776 -1.820 -7.112 1.00 0.00 O ATOM 481 CB ALA A 33 7.899 0.741 -5.209 1.00 0.00 C ATOM 0 H ALA A 33 6.089 0.674 -3.649 1.00 0.00 H new ATOM 0 HA ALA A 33 6.167 0.522 -6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.610 0.708 -6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.696 1.779 -4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.320 0.224 -4.346 1.00 0.00 H new ATOM 487 N THR A 34 7.134 -2.218 -4.980 1.00 0.00 N ATOM 488 CA THR A 34 7.381 -3.663 -5.247 1.00 0.00 C ATOM 489 C THR A 34 6.121 -4.308 -5.829 1.00 0.00 C ATOM 490 O THR A 34 6.101 -4.741 -6.964 1.00 0.00 O ATOM 491 CB THR A 34 7.713 -4.270 -3.884 1.00 0.00 C ATOM 492 OG1 THR A 34 8.914 -3.695 -3.390 1.00 0.00 O ATOM 493 CG2 THR A 34 7.891 -5.782 -4.031 1.00 0.00 C ATOM 0 H THR A 34 7.208 -1.937 -4.002 1.00 0.00 H new ATOM 0 HA THR A 34 8.185 -3.820 -5.966 1.00 0.00 H new ATOM 0 HB THR A 34 6.901 -4.067 -3.186 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.127 -4.082 -2.515 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.128 -6.217 -3.060 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.969 -6.222 -4.410 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.704 -5.987 -4.728 1.00 0.00 H new ATOM 501 N VAL A 35 5.065 -4.368 -5.062 1.00 0.00 N ATOM 502 CA VAL A 35 3.807 -4.978 -5.577 1.00 0.00 C ATOM 503 C VAL A 35 3.540 -4.487 -7.003 1.00 0.00 C ATOM 504 O VAL A 35 3.012 -5.201 -7.832 1.00 0.00 O ATOM 505 CB VAL A 35 2.710 -4.490 -4.630 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.996 -4.995 -3.215 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.684 -2.960 -4.626 1.00 0.00 C ATOM 0 H VAL A 35 5.020 -4.022 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 35 3.856 -6.066 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 35 1.745 -4.871 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.214 -4.647 -2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.017 -6.085 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.961 -4.613 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.902 -2.611 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.649 -2.581 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.482 -2.597 -5.634 1.00 0.00 H new ATOM 517 N MET A 36 3.904 -3.266 -7.288 1.00 0.00 N ATOM 518 CA MET A 36 3.677 -2.712 -8.654 1.00 0.00 C ATOM 519 C MET A 36 4.412 -3.555 -9.701 1.00 0.00 C ATOM 520 O MET A 36 3.806 -4.122 -10.589 1.00 0.00 O ATOM 521 CB MET A 36 4.251 -1.296 -8.602 1.00 0.00 C ATOM 522 CG MET A 36 3.732 -0.489 -9.794 1.00 0.00 C ATOM 523 SD MET A 36 1.923 -0.422 -9.737 1.00 0.00 S ATOM 524 CE MET A 36 1.782 1.091 -8.754 1.00 0.00 C ATOM 0 H MET A 36 4.350 -2.626 -6.631 1.00 0.00 H new ATOM 0 HA MET A 36 2.623 -2.717 -8.933 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.965 -0.811 -7.669 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.340 -1.333 -8.621 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.145 0.520 -9.771 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.060 -0.947 -10.727 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.888 1.039 -8.132 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.661 1.195 -8.118 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.711 1.952 -9.419 1.00 0.00 H new ATOM 534 N ARG A 37 5.710 -3.639 -9.607 1.00 0.00 N ATOM 535 CA ARG A 37 6.478 -4.445 -10.602 1.00 0.00 C ATOM 536 C ARG A 37 6.202 -5.939 -10.406 1.00 0.00 C ATOM 537 O ARG A 37 6.422 -6.741 -11.291 1.00 0.00 O ATOM 538 CB ARG A 37 7.946 -4.129 -10.317 1.00 0.00 C ATOM 539 CG ARG A 37 8.821 -4.723 -11.424 1.00 0.00 C ATOM 540 CD ARG A 37 9.842 -5.683 -10.809 1.00 0.00 C ATOM 541 NE ARG A 37 10.738 -4.819 -9.992 1.00 0.00 N ATOM 542 CZ ARG A 37 11.533 -5.355 -9.107 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.134 -6.484 -9.369 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.726 -4.763 -7.961 1.00 0.00 N ATOM 0 H ARG A 37 6.273 -3.186 -8.887 1.00 0.00 H new ATOM 0 HA ARG A 37 6.200 -4.206 -11.628 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.093 -3.050 -10.262 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.236 -4.540 -9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.201 -5.251 -12.149 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.334 -3.927 -11.963 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.353 -6.438 -10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.400 -6.213 -11.581 1.00 0.00 H new ATOM 0 HE ARG A 37 10.730 -3.808 -10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.982 -6.947 -10.265 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.756 -6.903 -8.677 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.256 -3.881 -7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.347 -5.182 -7.269 1.00 0.00 H new ATOM 558 N SER A 38 5.724 -6.318 -9.252 1.00 0.00 N ATOM 559 CA SER A 38 5.438 -7.760 -9.000 1.00 0.00 C ATOM 560 C SER A 38 4.278 -8.237 -9.877 1.00 0.00 C ATOM 561 O SER A 38 4.256 -9.361 -10.337 1.00 0.00 O ATOM 562 CB SER A 38 5.059 -7.835 -7.523 1.00 0.00 C ATOM 563 OG SER A 38 5.812 -8.865 -6.896 1.00 0.00 O ATOM 0 H SER A 38 5.519 -5.692 -8.473 1.00 0.00 H new ATOM 0 HA SER A 38 6.292 -8.395 -9.236 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.254 -6.879 -7.037 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.992 -8.034 -7.419 1.00 0.00 H new ATOM 0 HG SER A 38 5.572 -8.914 -5.947 1.00 0.00 H new ATOM 569 N LEU A 39 3.313 -7.391 -10.112 1.00 0.00 N ATOM 570 CA LEU A 39 2.157 -7.804 -10.960 1.00 0.00 C ATOM 571 C LEU A 39 2.635 -8.153 -12.372 1.00 0.00 C ATOM 572 O LEU A 39 2.025 -8.943 -13.066 1.00 0.00 O ATOM 573 CB LEU A 39 1.226 -6.589 -10.993 1.00 0.00 C ATOM 574 CG LEU A 39 0.351 -6.575 -9.737 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.694 -5.463 -9.856 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.360 -7.922 -9.591 1.00 0.00 C ATOM 0 H LEU A 39 3.274 -6.436 -9.756 1.00 0.00 H new ATOM 0 HA LEU A 39 1.655 -8.688 -10.566 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.812 -5.671 -11.050 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.599 -6.623 -11.884 1.00 0.00 H new ATOM 0 HG LEU A 39 0.978 -6.398 -8.863 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.317 -5.452 -8.962 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.192 -4.501 -9.959 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.318 -5.642 -10.731 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.982 -7.910 -8.696 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.986 -8.100 -10.466 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.381 -8.717 -9.507 1.00 0.00 H new ATOM 588 N GLY A 40 3.722 -7.573 -12.803 1.00 0.00 N ATOM 589 CA GLY A 40 4.235 -7.878 -14.169 1.00 0.00 C ATOM 590 C GLY A 40 4.465 -6.574 -14.934 1.00 0.00 C ATOM 591 O GLY A 40 4.297 -6.510 -16.136 1.00 0.00 O ATOM 0 H GLY A 40 4.276 -6.903 -12.270 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.166 -8.441 -14.101 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.522 -8.505 -14.705 1.00 0.00 H new ATOM 595 N LEU A 41 4.850 -5.531 -14.249 1.00 0.00 N ATOM 596 CA LEU A 41 5.091 -4.233 -14.942 1.00 0.00 C ATOM 597 C LEU A 41 6.372 -3.581 -14.412 1.00 0.00 C ATOM 598 O LEU A 41 7.039 -4.114 -13.548 1.00 0.00 O ATOM 599 CB LEU A 41 3.872 -3.370 -14.609 1.00 0.00 C ATOM 600 CG LEU A 41 3.542 -3.500 -13.121 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.188 -2.125 -12.555 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.352 -4.446 -12.946 1.00 0.00 C ATOM 0 H LEU A 41 5.008 -5.522 -13.241 1.00 0.00 H new ATOM 0 HA LEU A 41 5.219 -4.357 -16.017 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.073 -2.328 -14.858 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.018 -3.682 -15.210 1.00 0.00 H new ATOM 0 HG LEU A 41 4.406 -3.899 -12.590 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.953 -2.218 -11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.035 -1.451 -12.681 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.323 -1.725 -13.085 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.115 -4.540 -11.886 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.488 -4.046 -13.477 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.604 -5.426 -13.350 1.00 0.00 H new ATOM 614 N SER A 42 6.721 -2.433 -14.926 1.00 0.00 N ATOM 615 CA SER A 42 7.959 -1.750 -14.451 1.00 0.00 C ATOM 616 C SER A 42 8.003 -0.312 -14.975 1.00 0.00 C ATOM 617 O SER A 42 8.579 -0.045 -16.011 1.00 0.00 O ATOM 618 CB SER A 42 9.110 -2.569 -15.034 1.00 0.00 C ATOM 619 OG SER A 42 8.705 -3.130 -16.276 1.00 0.00 O ATOM 0 H SER A 42 6.204 -1.939 -15.653 1.00 0.00 H new ATOM 0 HA SER A 42 8.009 -1.693 -13.364 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.986 -1.936 -15.176 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.397 -3.360 -14.341 1.00 0.00 H new ATOM 0 HG SER A 42 9.441 -3.655 -16.654 1.00 0.00 H new ATOM 625 N PRO A 43 7.390 0.568 -14.232 1.00 0.00 N ATOM 626 CA PRO A 43 7.355 2.000 -14.618 1.00 0.00 C ATOM 627 C PRO A 43 8.729 2.643 -14.409 1.00 0.00 C ATOM 628 O PRO A 43 9.737 1.969 -14.342 1.00 0.00 O ATOM 629 CB PRO A 43 6.321 2.601 -13.670 1.00 0.00 C ATOM 630 CG PRO A 43 6.312 1.692 -12.482 1.00 0.00 C ATOM 631 CD PRO A 43 6.680 0.316 -12.974 1.00 0.00 C ATOM 0 HA PRO A 43 7.104 2.156 -15.667 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.590 3.619 -13.387 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.338 2.649 -14.138 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.022 2.035 -11.729 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.329 1.683 -12.012 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.312 -0.209 -12.257 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.796 -0.302 -13.131 1.00 0.00 H new ATOM 639 N SER A 44 8.777 3.944 -14.304 1.00 0.00 N ATOM 640 CA SER A 44 10.086 4.628 -14.100 1.00 0.00 C ATOM 641 C SER A 44 9.989 5.618 -12.936 1.00 0.00 C ATOM 642 O SER A 44 8.916 5.930 -12.461 1.00 0.00 O ATOM 643 CB SER A 44 10.357 5.365 -15.411 1.00 0.00 C ATOM 644 OG SER A 44 9.813 4.617 -16.490 1.00 0.00 O ATOM 0 H SER A 44 7.967 4.562 -14.351 1.00 0.00 H new ATOM 0 HA SER A 44 10.884 3.928 -13.855 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.912 6.359 -15.382 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.430 5.500 -15.551 1.00 0.00 H new ATOM 0 HG SER A 44 9.983 5.087 -17.333 1.00 0.00 H new ATOM 650 N GLU A 45 11.105 6.115 -12.475 1.00 0.00 N ATOM 651 CA GLU A 45 11.076 7.085 -11.343 1.00 0.00 C ATOM 652 C GLU A 45 9.959 8.110 -11.555 1.00 0.00 C ATOM 653 O GLU A 45 9.019 8.186 -10.789 1.00 0.00 O ATOM 654 CB GLU A 45 12.443 7.768 -11.370 1.00 0.00 C ATOM 655 CG GLU A 45 13.491 6.836 -10.758 1.00 0.00 C ATOM 656 CD GLU A 45 14.665 6.681 -11.727 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.476 6.062 -12.761 1.00 0.00 O ATOM 658 OE2 GLU A 45 15.733 7.183 -11.419 1.00 0.00 O ATOM 0 H GLU A 45 12.034 5.892 -12.833 1.00 0.00 H new ATOM 0 HA GLU A 45 10.884 6.598 -10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.717 8.017 -12.395 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.405 8.705 -10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.841 7.239 -9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.049 5.862 -10.548 1.00 0.00 H new ATOM 665 N ALA A 46 10.053 8.900 -12.590 1.00 0.00 N ATOM 666 CA ALA A 46 8.996 9.918 -12.849 1.00 0.00 C ATOM 667 C ALA A 46 7.610 9.306 -12.628 1.00 0.00 C ATOM 668 O ALA A 46 6.791 9.842 -11.908 1.00 0.00 O ATOM 669 CB ALA A 46 9.180 10.317 -14.314 1.00 0.00 C ATOM 0 H ALA A 46 10.816 8.884 -13.267 1.00 0.00 H new ATOM 0 HA ALA A 46 9.075 10.776 -12.181 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.436 11.067 -14.583 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.179 10.730 -14.456 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.057 9.439 -14.948 1.00 0.00 H new ATOM 675 N GLU A 47 7.343 8.185 -13.241 1.00 0.00 N ATOM 676 CA GLU A 47 6.011 7.539 -13.064 1.00 0.00 C ATOM 677 C GLU A 47 5.748 7.277 -11.578 1.00 0.00 C ATOM 678 O GLU A 47 4.627 7.343 -11.116 1.00 0.00 O ATOM 679 CB GLU A 47 6.105 6.221 -13.833 1.00 0.00 C ATOM 680 CG GLU A 47 4.861 6.048 -14.705 1.00 0.00 C ATOM 681 CD GLU A 47 5.243 6.213 -16.177 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.008 5.398 -16.665 1.00 0.00 O ATOM 683 OE2 GLU A 47 4.762 7.151 -16.792 1.00 0.00 O ATOM 0 H GLU A 47 7.988 7.689 -13.856 1.00 0.00 H new ATOM 0 HA GLU A 47 5.195 8.164 -13.427 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.001 6.213 -14.454 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.193 5.387 -13.137 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.422 5.064 -14.540 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.106 6.784 -14.430 1.00 0.00 H new ATOM 690 N VAL A 48 6.775 6.981 -10.828 1.00 0.00 N ATOM 691 CA VAL A 48 6.584 6.717 -9.374 1.00 0.00 C ATOM 692 C VAL A 48 6.274 8.023 -8.637 1.00 0.00 C ATOM 693 O VAL A 48 5.394 8.083 -7.802 1.00 0.00 O ATOM 694 CB VAL A 48 7.916 6.137 -8.898 1.00 0.00 C ATOM 695 CG1 VAL A 48 7.732 5.495 -7.522 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.395 5.078 -9.894 1.00 0.00 C ATOM 0 H VAL A 48 7.737 6.911 -11.159 1.00 0.00 H new ATOM 0 HA VAL A 48 5.753 6.038 -9.183 1.00 0.00 H new ATOM 0 HB VAL A 48 8.656 6.935 -8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.682 5.082 -7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.390 6.248 -6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.992 4.697 -7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.345 4.664 -9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.655 4.281 -9.962 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.527 5.534 -10.875 1.00 0.00 H new ATOM 706 N ASN A 49 6.992 9.070 -8.941 1.00 0.00 N ATOM 707 CA ASN A 49 6.740 10.371 -8.259 1.00 0.00 C ATOM 708 C ASN A 49 5.258 10.743 -8.361 1.00 0.00 C ATOM 709 O ASN A 49 4.628 11.098 -7.385 1.00 0.00 O ATOM 710 CB ASN A 49 7.600 11.386 -9.012 1.00 0.00 C ATOM 711 CG ASN A 49 8.076 12.470 -8.044 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.642 12.522 -6.910 1.00 0.00 O ATOM 713 ND2 ASN A 49 8.957 13.345 -8.445 1.00 0.00 N ATOM 0 H ASN A 49 7.742 9.080 -9.632 1.00 0.00 H new ATOM 0 HA ASN A 49 6.986 10.336 -7.198 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.456 10.887 -9.466 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.026 11.834 -9.823 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.281 14.072 -7.807 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.322 13.302 -9.397 1.00 0.00 H new ATOM 720 N ASP A 50 4.696 10.663 -9.537 1.00 0.00 N ATOM 721 CA ASP A 50 3.256 11.011 -9.699 1.00 0.00 C ATOM 722 C ASP A 50 2.378 9.977 -8.989 1.00 0.00 C ATOM 723 O ASP A 50 1.413 10.315 -8.333 1.00 0.00 O ATOM 724 CB ASP A 50 3.009 10.980 -11.208 1.00 0.00 C ATOM 725 CG ASP A 50 4.058 11.838 -11.917 1.00 0.00 C ATOM 726 OD1 ASP A 50 4.736 12.591 -11.236 1.00 0.00 O ATOM 727 OD2 ASP A 50 4.167 11.727 -13.126 1.00 0.00 O ATOM 0 H ASP A 50 5.172 10.372 -10.391 1.00 0.00 H new ATOM 0 HA ASP A 50 3.014 11.982 -9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.056 9.954 -11.573 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.009 11.352 -11.431 1.00 0.00 H new ATOM 732 N LEU A 51 2.705 8.721 -9.116 1.00 0.00 N ATOM 733 CA LEU A 51 1.889 7.666 -8.448 1.00 0.00 C ATOM 734 C LEU A 51 1.859 7.899 -6.934 1.00 0.00 C ATOM 735 O LEU A 51 0.843 7.732 -6.291 1.00 0.00 O ATOM 736 CB LEU A 51 2.598 6.352 -8.773 1.00 0.00 C ATOM 737 CG LEU A 51 2.163 5.866 -10.158 1.00 0.00 C ATOM 738 CD1 LEU A 51 2.956 4.614 -10.533 1.00 0.00 C ATOM 739 CD2 LEU A 51 0.669 5.534 -10.134 1.00 0.00 C ATOM 0 H LEU A 51 3.502 8.378 -9.653 1.00 0.00 H new ATOM 0 HA LEU A 51 0.854 7.667 -8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.678 6.494 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.358 5.601 -8.020 1.00 0.00 H new ATOM 0 HG LEU A 51 2.352 6.648 -10.893 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.646 4.269 -11.519 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.020 4.849 -10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.768 3.831 -9.799 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.357 5.188 -11.119 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.482 4.752 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.102 6.426 -9.867 1.00 0.00 H new ATOM 751 N MET A 52 2.967 8.285 -6.362 1.00 0.00 N ATOM 752 CA MET A 52 3.001 8.528 -4.891 1.00 0.00 C ATOM 753 C MET A 52 2.342 9.869 -4.560 1.00 0.00 C ATOM 754 O MET A 52 1.403 9.937 -3.791 1.00 0.00 O ATOM 755 CB MET A 52 4.487 8.557 -4.530 1.00 0.00 C ATOM 756 CG MET A 52 5.128 7.216 -4.892 1.00 0.00 C ATOM 757 SD MET A 52 5.201 6.165 -3.421 1.00 0.00 S ATOM 758 CE MET A 52 3.995 4.929 -3.966 1.00 0.00 C ATOM 0 H MET A 52 3.849 8.443 -6.849 1.00 0.00 H new ATOM 0 HA MET A 52 2.460 7.763 -4.333 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.986 9.366 -5.064 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.609 8.755 -3.465 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.550 6.724 -5.675 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.131 7.375 -5.288 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.707 4.304 -3.121 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.113 5.432 -4.363 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.438 4.306 -4.743 1.00 0.00 H new ATOM 768 N ASN A 53 2.824 10.936 -5.136 1.00 0.00 N ATOM 769 CA ASN A 53 2.224 12.272 -4.853 1.00 0.00 C ATOM 770 C ASN A 53 0.697 12.196 -4.944 1.00 0.00 C ATOM 771 O ASN A 53 -0.010 12.990 -4.355 1.00 0.00 O ATOM 772 CB ASN A 53 2.781 13.193 -5.938 1.00 0.00 C ATOM 773 CG ASN A 53 3.778 14.173 -5.315 1.00 0.00 C ATOM 774 OD1 ASN A 53 4.190 14.001 -4.186 1.00 0.00 O ATOM 775 ND2 ASN A 53 4.186 15.199 -6.010 1.00 0.00 N ATOM 0 H ASN A 53 3.607 10.941 -5.790 1.00 0.00 H new ATOM 0 HA ASN A 53 2.464 12.630 -3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.270 12.604 -6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.969 13.740 -6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.852 15.857 -5.605 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.839 15.343 -6.958 1.00 0.00 H new ATOM 782 N GLU A 54 0.184 11.246 -5.676 1.00 0.00 N ATOM 783 CA GLU A 54 -1.297 11.122 -5.804 1.00 0.00 C ATOM 784 C GLU A 54 -1.874 10.397 -4.585 1.00 0.00 C ATOM 785 O GLU A 54 -3.073 10.269 -4.438 1.00 0.00 O ATOM 786 CB GLU A 54 -1.517 10.297 -7.073 1.00 0.00 C ATOM 787 CG GLU A 54 -2.517 11.014 -7.982 1.00 0.00 C ATOM 788 CD GLU A 54 -3.835 11.215 -7.234 1.00 0.00 C ATOM 789 OE1 GLU A 54 -4.319 10.254 -6.657 1.00 0.00 O ATOM 790 OE2 GLU A 54 -4.340 12.326 -7.249 1.00 0.00 O ATOM 0 H GLU A 54 0.725 10.551 -6.191 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.790 12.093 -5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.571 10.155 -7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.890 9.306 -6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.114 11.977 -8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.686 10.430 -8.887 1.00 0.00 H new ATOM 797 N ILE A 55 -1.030 9.921 -3.712 1.00 0.00 N ATOM 798 CA ILE A 55 -1.531 9.204 -2.503 1.00 0.00 C ATOM 799 C ILE A 55 -0.641 9.514 -1.297 1.00 0.00 C ATOM 800 O ILE A 55 -1.114 9.674 -0.189 1.00 0.00 O ATOM 801 CB ILE A 55 -1.451 7.721 -2.861 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.863 6.881 -1.649 1.00 0.00 C ATOM 803 CG2 ILE A 55 -0.017 7.367 -3.260 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.662 5.397 -1.963 1.00 0.00 C ATOM 0 H ILE A 55 -0.015 9.997 -3.782 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.544 9.505 -2.235 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.122 7.513 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.270 7.163 -0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.906 7.072 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.039 6.309 -3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.279 7.964 -4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.654 7.575 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.955 4.799 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.275 5.120 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.612 5.212 -2.192 1.00 0.00 H new ATOM 816 N ASP A 56 0.645 9.601 -1.503 1.00 0.00 N ATOM 817 CA ASP A 56 1.563 9.902 -0.367 1.00 0.00 C ATOM 818 C ASP A 56 0.973 11.007 0.512 1.00 0.00 C ATOM 819 O ASP A 56 0.557 12.042 0.030 1.00 0.00 O ATOM 820 CB ASP A 56 2.862 10.373 -1.022 1.00 0.00 C ATOM 821 CG ASP A 56 4.057 9.838 -0.230 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.893 9.586 0.953 1.00 0.00 O ATOM 823 OD2 ASP A 56 5.114 9.689 -0.820 1.00 0.00 O ATOM 0 H ASP A 56 1.100 9.477 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 56 1.721 9.037 0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.909 10.023 -2.053 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.892 11.462 -1.054 1.00 0.00 H new ATOM 828 N VAL A 57 0.933 10.796 1.800 1.00 0.00 N ATOM 829 CA VAL A 57 0.370 11.836 2.708 1.00 0.00 C ATOM 830 C VAL A 57 1.500 12.593 3.411 1.00 0.00 C ATOM 831 O VAL A 57 1.645 13.790 3.261 1.00 0.00 O ATOM 832 CB VAL A 57 -0.469 11.061 3.724 1.00 0.00 C ATOM 833 CG1 VAL A 57 -1.109 12.039 4.711 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.567 10.287 2.992 1.00 0.00 C ATOM 0 H VAL A 57 1.265 9.950 2.262 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.222 12.577 2.171 1.00 0.00 H new ATOM 0 HB VAL A 57 0.170 10.364 4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.707 11.486 5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.328 12.593 5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.748 12.736 4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.166 9.734 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.205 10.985 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.113 9.590 2.288 1.00 0.00 H new ATOM 844 N ASP A 58 2.302 11.905 4.178 1.00 0.00 N ATOM 845 CA ASP A 58 3.421 12.586 4.889 1.00 0.00 C ATOM 846 C ASP A 58 4.722 11.802 4.703 1.00 0.00 C ATOM 847 O ASP A 58 5.644 11.915 5.488 1.00 0.00 O ATOM 848 CB ASP A 58 3.006 12.598 6.361 1.00 0.00 C ATOM 849 CG ASP A 58 2.601 11.187 6.789 1.00 0.00 C ATOM 850 OD1 ASP A 58 3.024 10.247 6.136 1.00 0.00 O ATOM 851 OD2 ASP A 58 1.874 11.070 7.762 1.00 0.00 O ATOM 0 H ASP A 58 2.230 10.901 4.343 1.00 0.00 H new ATOM 0 HA ASP A 58 3.601 13.591 4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.830 12.954 6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.175 13.287 6.510 1.00 0.00 H new ATOM 856 N GLY A 59 4.805 11.007 3.672 1.00 0.00 N ATOM 857 CA GLY A 59 6.047 10.218 3.438 1.00 0.00 C ATOM 858 C GLY A 59 5.812 8.761 3.845 1.00 0.00 C ATOM 859 O GLY A 59 5.853 7.864 3.027 1.00 0.00 O ATOM 0 H GLY A 59 4.067 10.870 2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.332 10.272 2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.871 10.639 4.014 1.00 0.00 H new ATOM 863 N ASN A 60 5.566 8.520 5.103 1.00 0.00 N ATOM 864 CA ASN A 60 5.328 7.120 5.561 1.00 0.00 C ATOM 865 C ASN A 60 3.835 6.890 5.806 1.00 0.00 C ATOM 866 O ASN A 60 3.405 6.678 6.923 1.00 0.00 O ATOM 867 CB ASN A 60 6.112 6.992 6.867 1.00 0.00 C ATOM 868 CG ASN A 60 5.700 5.706 7.586 1.00 0.00 C ATOM 869 OD1 ASN A 60 5.259 5.745 8.719 1.00 0.00 O ATOM 870 ND2 ASN A 60 5.826 4.561 6.974 1.00 0.00 N ATOM 0 H ASN A 60 5.519 9.230 5.834 1.00 0.00 H new ATOM 0 HA ASN A 60 5.645 6.384 4.822 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.182 6.979 6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.920 7.855 7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.555 3.698 7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.196 4.529 6.024 1.00 0.00 H new ATOM 877 N HIS A 61 3.041 6.932 4.771 1.00 0.00 N ATOM 878 CA HIS A 61 1.575 6.716 4.946 1.00 0.00 C ATOM 879 C HIS A 61 1.229 5.239 4.742 1.00 0.00 C ATOM 880 O HIS A 61 2.026 4.467 4.247 1.00 0.00 O ATOM 881 CB HIS A 61 0.918 7.576 3.866 1.00 0.00 C ATOM 882 CG HIS A 61 1.145 6.951 2.516 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.111 5.980 2.305 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.539 7.147 1.301 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.058 5.632 1.005 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.117 6.313 0.349 1.00 0.00 N ATOM 0 H HIS A 61 3.343 7.106 3.812 1.00 0.00 H new ATOM 0 HA HIS A 61 1.234 6.985 5.946 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.151 7.668 4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.334 8.583 3.886 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.746 5.599 3.006 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.265 7.843 1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.699 4.892 0.549 1.00 0.00 H new ATOM 894 N GLN A 62 0.045 4.841 5.118 1.00 0.00 N ATOM 895 CA GLN A 62 -0.353 3.414 4.945 1.00 0.00 C ATOM 896 C GLN A 62 -1.269 3.267 3.727 1.00 0.00 C ATOM 897 O GLN A 62 -2.430 3.622 3.765 1.00 0.00 O ATOM 898 CB GLN A 62 -1.102 3.051 6.227 1.00 0.00 C ATOM 899 CG GLN A 62 -2.354 3.924 6.351 1.00 0.00 C ATOM 900 CD GLN A 62 -3.600 3.063 6.134 1.00 0.00 C ATOM 901 OE1 GLN A 62 -3.797 2.077 6.816 1.00 0.00 O ATOM 902 NE2 GLN A 62 -4.454 3.397 5.207 1.00 0.00 N ATOM 0 H GLN A 62 -0.665 5.442 5.538 1.00 0.00 H new ATOM 0 HA GLN A 62 0.505 2.763 4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.380 1.997 6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.456 3.198 7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.389 4.391 7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.323 4.729 5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.288 4.225 4.635 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.288 2.830 5.054 1.00 0.00 H new ATOM 911 N ILE A 63 -0.755 2.749 2.646 1.00 0.00 N ATOM 912 CA ILE A 63 -1.596 2.582 1.425 1.00 0.00 C ATOM 913 C ILE A 63 -2.640 1.485 1.648 1.00 0.00 C ATOM 914 O ILE A 63 -2.429 0.557 2.402 1.00 0.00 O ATOM 915 CB ILE A 63 -0.619 2.173 0.323 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.381 3.307 0.086 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.390 1.896 -0.967 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.410 2.867 -0.958 1.00 0.00 C ATOM 0 H ILE A 63 0.211 2.434 2.554 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.139 3.492 1.171 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.085 1.272 0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.140 4.201 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.881 3.567 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.693 1.604 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.104 1.090 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.924 2.796 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.123 3.673 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.939 1.985 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.902 2.629 -1.892 1.00 0.00 H new ATOM 930 N GLU A 64 -3.767 1.585 0.996 1.00 0.00 N ATOM 931 CA GLU A 64 -4.823 0.546 1.169 1.00 0.00 C ATOM 932 C GLU A 64 -5.045 -0.203 -0.147 1.00 0.00 C ATOM 933 O GLU A 64 -5.221 0.395 -1.190 1.00 0.00 O ATOM 934 CB GLU A 64 -6.080 1.323 1.564 1.00 0.00 C ATOM 935 CG GLU A 64 -6.220 1.329 3.088 1.00 0.00 C ATOM 936 CD GLU A 64 -7.557 0.696 3.480 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.487 0.792 2.697 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.626 0.127 4.557 1.00 0.00 O ATOM 0 H GLU A 64 -4.002 2.340 0.352 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.553 -0.199 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.021 2.345 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.960 0.867 1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.397 0.777 3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.165 2.350 3.465 1.00 0.00 H new ATOM 945 N PHE A 65 -5.037 -1.507 -0.107 1.00 0.00 N ATOM 946 CA PHE A 65 -5.245 -2.293 -1.358 1.00 0.00 C ATOM 947 C PHE A 65 -6.376 -1.677 -2.186 1.00 0.00 C ATOM 948 O PHE A 65 -6.331 -1.662 -3.400 1.00 0.00 O ATOM 949 CB PHE A 65 -5.631 -3.695 -0.885 1.00 0.00 C ATOM 950 CG PHE A 65 -5.756 -4.610 -2.078 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.677 -4.769 -2.956 1.00 0.00 C ATOM 952 CD2 PHE A 65 -6.952 -5.301 -2.308 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.794 -5.617 -4.063 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.069 -6.150 -3.416 1.00 0.00 C ATOM 955 CZ PHE A 65 -5.990 -6.308 -4.292 1.00 0.00 C ATOM 0 H PHE A 65 -4.896 -2.063 0.737 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.357 -2.306 -1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.878 -4.078 -0.196 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.574 -3.660 -0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.754 -4.237 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.785 -5.179 -1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.962 -5.738 -4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.992 -6.682 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.080 -6.963 -5.146 1.00 0.00 H new ATOM 965 N SER A 66 -7.389 -1.167 -1.541 1.00 0.00 N ATOM 966 CA SER A 66 -8.520 -0.553 -2.294 1.00 0.00 C ATOM 967 C SER A 66 -8.024 0.650 -3.103 1.00 0.00 C ATOM 968 O SER A 66 -7.887 0.584 -4.308 1.00 0.00 O ATOM 969 CB SER A 66 -9.512 -0.105 -1.223 1.00 0.00 C ATOM 970 OG SER A 66 -10.126 -1.249 -0.644 1.00 0.00 O ATOM 0 H SER A 66 -7.483 -1.149 -0.525 1.00 0.00 H new ATOM 0 HA SER A 66 -8.971 -1.248 -3.002 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.999 0.474 -0.455 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.269 0.546 -1.661 1.00 0.00 H new ATOM 0 HG SER A 66 -10.762 -0.965 0.045 1.00 0.00 H new ATOM 976 N GLU A 67 -7.753 1.746 -2.450 1.00 0.00 N ATOM 977 CA GLU A 67 -7.266 2.950 -3.184 1.00 0.00 C ATOM 978 C GLU A 67 -6.085 2.576 -4.085 1.00 0.00 C ATOM 979 O GLU A 67 -5.974 3.038 -5.203 1.00 0.00 O ATOM 980 CB GLU A 67 -6.823 3.927 -2.095 1.00 0.00 C ATOM 981 CG GLU A 67 -5.515 3.437 -1.469 1.00 0.00 C ATOM 982 CD GLU A 67 -5.087 4.400 -0.361 1.00 0.00 C ATOM 983 OE1 GLU A 67 -5.139 5.597 -0.590 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.714 3.925 0.699 1.00 0.00 O ATOM 0 H GLU A 67 -7.847 1.861 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.033 3.380 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.685 4.922 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.595 4.010 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.647 2.434 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.737 3.373 -2.230 1.00 0.00 H new ATOM 991 N PHE A 68 -5.202 1.743 -3.607 1.00 0.00 N ATOM 992 CA PHE A 68 -4.031 1.340 -4.436 1.00 0.00 C ATOM 993 C PHE A 68 -4.485 0.983 -5.854 1.00 0.00 C ATOM 994 O PHE A 68 -4.070 1.590 -6.821 1.00 0.00 O ATOM 995 CB PHE A 68 -3.452 0.111 -3.732 1.00 0.00 C ATOM 996 CG PHE A 68 -2.510 -0.611 -4.665 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.816 0.102 -5.651 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.329 -1.994 -4.545 1.00 0.00 C ATOM 999 CE1 PHE A 68 -0.944 -0.568 -6.516 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.456 -2.664 -5.410 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.763 -1.951 -6.396 1.00 0.00 C ATOM 0 H PHE A 68 -5.241 1.324 -2.678 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.296 2.140 -4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.924 0.413 -2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.257 -0.556 -3.423 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.954 1.169 -5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.863 -2.544 -3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.410 -0.018 -7.277 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.317 -3.731 -5.317 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.089 -2.468 -7.063 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.336 0.002 -5.983 1.00 0.00 N ATOM 1012 CA LEU A 69 -5.817 -0.395 -7.338 1.00 0.00 C ATOM 1013 C LEU A 69 -6.836 0.623 -7.858 1.00 0.00 C ATOM 1014 O LEU A 69 -6.899 0.904 -9.038 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.475 -1.761 -7.137 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.443 -2.866 -7.373 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.154 -2.535 -6.617 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -5.999 -4.198 -6.868 1.00 0.00 C ATOM 0 H LEU A 69 -5.719 -0.542 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.010 -0.434 -8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.879 -1.836 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.312 -1.878 -7.825 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.230 -2.939 -8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.420 -3.323 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.756 -1.586 -6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.367 -2.460 -5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.265 -4.986 -7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.213 -4.122 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.916 -4.437 -7.406 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.631 1.179 -6.985 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.643 2.179 -7.431 1.00 0.00 C ATOM 1032 C ALA A 70 -7.948 3.386 -8.065 1.00 0.00 C ATOM 1033 O ALA A 70 -8.515 4.082 -8.885 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.379 2.593 -6.156 1.00 0.00 C ATOM 0 H ALA A 70 -7.624 0.985 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.323 1.774 -8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.144 3.330 -6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.849 1.718 -5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.670 3.026 -5.451 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.722 3.639 -7.693 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.991 4.801 -8.276 1.00 0.00 C ATOM 1042 C LEU A 71 -5.009 4.322 -9.348 1.00 0.00 C ATOM 1043 O LEU A 71 -4.709 5.030 -10.289 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.239 5.425 -7.100 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.146 6.430 -6.390 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.494 5.775 -6.082 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.486 6.876 -5.083 1.00 0.00 C ATOM 0 H LEU A 71 -6.196 3.092 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.662 5.514 -8.755 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.923 4.648 -6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.336 5.921 -7.455 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.302 7.296 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.140 6.492 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.965 5.456 -7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.339 4.909 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.132 7.593 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.330 6.010 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.526 7.344 -5.301 1.00 0.00 H new ATOM 1059 N MET A 72 -4.509 3.124 -9.215 1.00 0.00 N ATOM 1060 CA MET A 72 -3.547 2.600 -10.227 1.00 0.00 C ATOM 1061 C MET A 72 -4.239 2.452 -11.585 1.00 0.00 C ATOM 1062 O MET A 72 -3.613 2.528 -12.624 1.00 0.00 O ATOM 1063 CB MET A 72 -3.114 1.236 -9.693 1.00 0.00 C ATOM 1064 CG MET A 72 -1.632 1.283 -9.313 1.00 0.00 C ATOM 1065 SD MET A 72 -0.653 1.761 -10.757 1.00 0.00 S ATOM 1066 CE MET A 72 -1.066 0.336 -11.793 1.00 0.00 C ATOM 0 H MET A 72 -4.725 2.485 -8.450 1.00 0.00 H new ATOM 0 HA MET A 72 -2.697 3.267 -10.375 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.715 0.966 -8.824 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.283 0.468 -10.448 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.476 1.995 -8.503 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.308 0.308 -8.947 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.208 0.076 -12.413 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.326 -0.512 -11.159 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.914 0.584 -12.432 1.00 0.00 H new ATOM 1076 N SER A 73 -5.527 2.240 -11.586 1.00 0.00 N ATOM 1077 CA SER A 73 -6.256 2.088 -12.876 1.00 0.00 C ATOM 1078 C SER A 73 -5.873 3.216 -13.837 1.00 0.00 C ATOM 1079 O SER A 73 -6.003 3.093 -15.038 1.00 0.00 O ATOM 1080 CB SER A 73 -7.737 2.177 -12.507 1.00 0.00 C ATOM 1081 OG SER A 73 -8.525 1.992 -13.676 1.00 0.00 O ATOM 0 H SER A 73 -6.105 2.166 -10.749 1.00 0.00 H new ATOM 0 HA SER A 73 -6.017 1.150 -13.377 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.985 1.419 -11.764 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.954 3.146 -12.058 1.00 0.00 H new ATOM 0 HG SER A 73 -9.466 1.887 -13.423 1.00 0.00 H new ATOM 1087 N ARG A 74 -5.400 4.316 -13.316 1.00 0.00 N ATOM 1088 CA ARG A 74 -5.009 5.451 -14.200 1.00 0.00 C ATOM 1089 C ARG A 74 -4.119 4.950 -15.342 1.00 0.00 C ATOM 1090 O ARG A 74 -4.169 5.452 -16.448 1.00 0.00 O ATOM 1091 CB ARG A 74 -4.232 6.408 -13.296 1.00 0.00 C ATOM 1092 CG ARG A 74 -3.837 7.655 -14.089 1.00 0.00 C ATOM 1093 CD ARG A 74 -5.068 8.542 -14.291 1.00 0.00 C ATOM 1094 NE ARG A 74 -4.743 9.386 -15.474 1.00 0.00 N ATOM 1095 CZ ARG A 74 -3.749 10.231 -15.421 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -3.526 10.907 -14.327 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -2.979 10.400 -16.459 1.00 0.00 N ATOM 0 H ARG A 74 -5.268 4.477 -12.318 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.872 5.934 -14.658 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.842 6.689 -12.437 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.341 5.915 -12.907 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.061 8.206 -13.558 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.420 7.368 -15.054 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.962 7.943 -14.467 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.262 9.154 -13.410 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.297 9.304 -16.326 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.128 10.775 -13.514 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.750 11.567 -14.285 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.153 9.872 -17.314 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.203 11.060 -16.416 1.00 0.00 H new ATOM 1111 N GLN A 75 -3.305 3.964 -15.083 1.00 0.00 N ATOM 1112 CA GLN A 75 -2.414 3.431 -16.153 1.00 0.00 C ATOM 1113 C GLN A 75 -1.846 2.070 -15.741 1.00 0.00 C ATOM 1114 O GLN A 75 -1.369 1.895 -14.637 1.00 0.00 O ATOM 1115 CB GLN A 75 -1.292 4.463 -16.283 1.00 0.00 C ATOM 1116 CG GLN A 75 -1.327 5.081 -17.682 1.00 0.00 C ATOM 1117 CD GLN A 75 -1.119 3.987 -18.730 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -2.067 3.378 -19.187 1.00 0.00 O ATOM 1119 NE2 GLN A 75 0.090 3.707 -19.133 1.00 0.00 N ATOM 0 H GLN A 75 -3.218 3.504 -14.177 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.943 3.282 -17.094 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.409 5.240 -15.528 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.326 3.990 -16.107 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.282 5.580 -17.847 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.551 5.840 -17.775 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.886 4.217 -18.750 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.239 2.978 -19.831 1.00 0.00 H new ATOM 1128 N LEU A 76 -1.896 1.106 -16.619 1.00 0.00 N ATOM 1129 CA LEU A 76 -1.358 -0.242 -16.277 1.00 0.00 C ATOM 1130 C LEU A 76 -0.752 -0.902 -17.518 1.00 0.00 C ATOM 1131 O LEU A 76 -1.037 -0.520 -18.637 1.00 0.00 O ATOM 1132 CB LEU A 76 -2.569 -1.036 -15.784 1.00 0.00 C ATOM 1133 CG LEU A 76 -2.094 -2.223 -14.944 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -2.937 -2.319 -13.672 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -2.245 -3.512 -15.753 1.00 0.00 C ATOM 0 H LEU A 76 -2.286 1.193 -17.558 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.568 -0.194 -15.527 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.221 -0.395 -15.191 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.156 -1.389 -16.632 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.047 -2.082 -14.676 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.598 -3.165 -13.074 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.830 -1.401 -13.095 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.984 -2.460 -13.939 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.907 -4.358 -15.155 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.292 -3.653 -16.021 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.644 -3.445 -16.660 1.00 0.00 H new ATOM 1147 N LYS A 77 0.081 -1.888 -17.331 1.00 0.00 N ATOM 1148 CA LYS A 77 0.704 -2.570 -18.501 1.00 0.00 C ATOM 1149 C LYS A 77 1.353 -3.886 -18.063 1.00 0.00 C ATOM 1150 O LYS A 77 0.825 -4.929 -18.409 1.00 0.00 O ATOM 1151 CB LYS A 77 1.764 -1.593 -19.012 1.00 0.00 C ATOM 1152 CG LYS A 77 2.688 -2.310 -19.997 1.00 0.00 C ATOM 1153 CD LYS A 77 2.681 -1.570 -21.335 1.00 0.00 C ATOM 1154 CE LYS A 77 3.303 -2.459 -22.415 1.00 0.00 C ATOM 1155 NZ LYS A 77 3.176 -1.678 -23.676 1.00 0.00 N ATOM 1156 OXT LYS A 77 2.368 -3.827 -17.386 1.00 0.00 O ATOM 0 H LYS A 77 0.358 -2.251 -16.419 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.027 -2.818 -19.271 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.286 -0.743 -19.499 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.342 -1.198 -18.177 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.701 -2.351 -19.597 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.359 -3.340 -20.137 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.660 -1.305 -21.611 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.240 -0.638 -21.250 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.347 -2.681 -22.191 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.783 -3.414 -22.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.581 -2.223 -24.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.172 -1.488 -23.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.687 -0.777 -23.579 1.00 0.00 H new TER 1170 LYS A 77