USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 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 37 ASN : amide:sc= -3.26! C(o=-3!,f=-23!) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -117:sc= 0.26 (180deg=-0.206) USER MOD Set 2.1: A 32 ASN : amide:sc= -6.65! C(o=-6.7!,f=-31!) USER MOD Set 2.2: A 36 LYS NZ :NH3+ -144:sc= -0.009! (180deg=-0.166) USER MOD Set 3.1: A 16 SER OG : rot 131:sc= 0.316 USER MOD Set 3.2: A 18 SER OG : rot 180:sc= 1.25 USER MOD Set 4.1: A 13 LYS NZ :NH3+ -131:sc= -0.147! (180deg=-2.79!) USER MOD Set 4.2: A 55 THR OG1 : rot 72:sc= -1.06! USER MOD Single : A 5 ASN : amide:sc= -1.83 K(o=-1.8,f=-14!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -144:sc= 0.412 (180deg=-2.86!) USER MOD Single : A 17 GLN : amide:sc= -1.97! C(o=-2!,f=-13!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.054 USER MOD Single : A 29 GLN : amide:sc= -1.96! C(o=-2!,f=-8.4!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.1 F(o=-0.86,f=-0.1) USER MOD Single : A 42 SER OG : rot -90:sc= -1.23! USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.0265 (180deg=-0.509) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0886 K(o=-0.089,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 5.207 5.544 -4.547 1.00 0.00 N ATOM 71 CA ASN A 5 4.087 5.569 -3.619 1.00 0.00 C ATOM 72 C ASN A 5 3.700 4.159 -3.191 1.00 0.00 C ATOM 73 O ASN A 5 3.558 3.256 -4.021 1.00 0.00 O ATOM 74 CB ASN A 5 2.885 6.267 -4.253 1.00 0.00 C ATOM 75 CG ASN A 5 1.810 6.521 -3.207 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.462 5.621 -2.437 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.262 7.694 -3.125 1.00 0.00 N ATOM 0 HA ASN A 5 4.397 6.126 -2.735 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.198 7.211 -4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.481 5.652 -5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.543 7.873 -2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.550 8.437 -3.762 1.00 0.00 H new ATOM 84 N LEU A 6 3.519 3.987 -1.895 1.00 0.00 N ATOM 85 CA LEU A 6 3.168 2.696 -1.319 1.00 0.00 C ATOM 86 C LEU A 6 1.833 2.222 -1.871 1.00 0.00 C ATOM 87 O LEU A 6 1.678 1.057 -2.244 1.00 0.00 O ATOM 88 CB LEU A 6 3.118 2.809 0.217 1.00 0.00 C ATOM 89 CG LEU A 6 2.861 1.438 0.890 1.00 0.00 C ATOM 90 CD1 LEU A 6 1.362 1.166 0.964 1.00 0.00 C ATOM 91 CD2 LEU A 6 3.555 0.299 0.121 1.00 0.00 C ATOM 0 H LEU A 6 3.610 4.736 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 6 3.927 1.962 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.059 3.221 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.332 3.507 0.504 1.00 0.00 H new ATOM 0 HG LEU A 6 3.277 1.475 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.191 0.200 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.879 1.949 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.944 1.155 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.356 -0.650 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.172 0.262 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.630 0.478 0.098 1.00 0.00 H new ATOM 103 N LYS A 7 0.904 3.144 -2.012 1.00 0.00 N ATOM 104 CA LYS A 7 -0.385 2.835 -2.595 1.00 0.00 C ATOM 105 C LYS A 7 -0.202 2.242 -3.982 1.00 0.00 C ATOM 106 O LYS A 7 -0.868 1.278 -4.358 1.00 0.00 O ATOM 107 CB LYS A 7 -1.235 4.116 -2.645 1.00 0.00 C ATOM 108 CG LYS A 7 -2.442 3.929 -3.565 1.00 0.00 C ATOM 109 CD LYS A 7 -3.499 5.002 -3.273 1.00 0.00 C ATOM 110 CE LYS A 7 -2.879 6.408 -3.352 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.946 7.417 -3.583 1.00 0.00 N ATOM 0 H LYS A 7 1.018 4.117 -1.730 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.901 2.095 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.573 4.373 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.627 4.948 -3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.128 3.991 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.870 2.937 -3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.317 4.919 -3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.924 4.841 -2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.347 6.633 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.147 6.448 -4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.522 8.365 -3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.435 7.207 -4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.629 7.386 -2.799 1.00 0.00 H new ATOM 125 N LEU A 8 0.715 2.816 -4.719 1.00 0.00 N ATOM 126 CA LEU A 8 1.023 2.374 -6.069 1.00 0.00 C ATOM 127 C LEU A 8 1.670 0.985 -6.099 1.00 0.00 C ATOM 128 O LEU A 8 1.561 0.268 -7.082 1.00 0.00 O ATOM 129 CB LEU A 8 1.874 3.411 -6.784 1.00 0.00 C ATOM 130 CG LEU A 8 1.045 4.697 -6.930 1.00 0.00 C ATOM 131 CD1 LEU A 8 1.927 5.821 -7.459 1.00 0.00 C ATOM 132 CD2 LEU A 8 -0.101 4.460 -7.920 1.00 0.00 C ATOM 0 H LEU A 8 1.276 3.608 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 8 0.080 2.276 -6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.786 3.609 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.179 3.042 -7.763 1.00 0.00 H new ATOM 0 HG LEU A 8 0.643 4.972 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.335 6.731 -7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.747 5.998 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.330 5.540 -8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.688 5.373 -8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.309 4.181 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.740 3.657 -7.552 1.00 0.00 H new ATOM 144 N ILE A 9 2.300 0.584 -5.011 1.00 0.00 N ATOM 145 CA ILE A 9 2.890 -0.753 -4.954 1.00 0.00 C ATOM 146 C ILE A 9 1.789 -1.790 -5.117 1.00 0.00 C ATOM 147 O ILE A 9 1.974 -2.817 -5.766 1.00 0.00 O ATOM 148 CB ILE A 9 3.646 -0.996 -3.630 1.00 0.00 C ATOM 149 CG1 ILE A 9 4.884 -0.099 -3.557 1.00 0.00 C ATOM 150 CG2 ILE A 9 4.102 -2.460 -3.564 1.00 0.00 C ATOM 151 CD1 ILE A 9 5.883 -0.499 -4.660 1.00 0.00 C ATOM 0 H ILE A 9 2.419 1.146 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 9 3.615 -0.838 -5.763 1.00 0.00 H new ATOM 0 HB ILE A 9 2.978 -0.768 -2.799 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.595 0.945 -3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.354 -0.190 -2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.636 -2.633 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.232 -3.115 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.763 -2.674 -4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.763 0.142 -4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.182 -1.538 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.412 -0.385 -5.636 1.00 0.00 H new ATOM 163 N ARG A 10 0.674 -1.547 -4.466 1.00 0.00 N ATOM 164 CA ARG A 10 -0.424 -2.493 -4.470 1.00 0.00 C ATOM 165 C ARG A 10 -0.933 -2.775 -5.888 1.00 0.00 C ATOM 166 O ARG A 10 -1.089 -3.943 -6.265 1.00 0.00 O ATOM 167 CB ARG A 10 -1.542 -2.017 -3.529 1.00 0.00 C ATOM 168 CG ARG A 10 -1.151 -2.358 -2.077 1.00 0.00 C ATOM 169 CD ARG A 10 -0.125 -1.342 -1.551 1.00 0.00 C ATOM 170 NE ARG A 10 0.370 -1.725 -0.223 1.00 0.00 N ATOM 171 CZ ARG A 10 -0.195 -1.296 0.909 1.00 0.00 C ATOM 172 NH1 ARG A 10 -1.304 -0.611 0.872 1.00 0.00 N ATOM 173 NH2 ARG A 10 0.354 -1.583 2.058 1.00 0.00 N ATOM 0 H ARG A 10 0.501 -0.700 -3.925 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.054 -3.446 -4.091 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.693 -0.943 -3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.484 -2.499 -3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.038 -2.352 -1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.734 -3.364 -2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.711 -1.272 -2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.581 -0.353 -1.501 1.00 0.00 H new ATOM 0 HE ARG A 10 1.178 -2.344 -0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.744 -0.401 -0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.732 -0.286 1.739 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.212 -2.133 2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.075 -1.257 2.924 1.00 0.00 H new ATOM 187 N GLU A 11 -1.043 -1.739 -6.727 1.00 0.00 N ATOM 188 CA GLU A 11 -1.381 -1.977 -8.134 1.00 0.00 C ATOM 189 C GLU A 11 -0.239 -2.720 -8.825 1.00 0.00 C ATOM 190 O GLU A 11 -0.466 -3.635 -9.627 1.00 0.00 O ATOM 191 CB GLU A 11 -1.714 -0.672 -8.888 1.00 0.00 C ATOM 192 CG GLU A 11 -0.548 0.317 -8.797 1.00 0.00 C ATOM 193 CD GLU A 11 -0.712 1.417 -9.822 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.589 2.227 -9.653 1.00 0.00 O ATOM 195 OE2 GLU A 11 0.042 1.432 -10.773 1.00 0.00 O ATOM 0 H GLU A 11 -0.909 -0.761 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.280 -2.592 -8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.928 -0.894 -9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.613 -0.222 -8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.504 0.747 -7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.395 -0.205 -8.962 1.00 0.00 H new ATOM 202 N LYS A 12 0.994 -2.349 -8.477 1.00 0.00 N ATOM 203 CA LYS A 12 2.175 -3.007 -9.024 1.00 0.00 C ATOM 204 C LYS A 12 2.203 -4.462 -8.606 1.00 0.00 C ATOM 205 O LYS A 12 2.513 -5.344 -9.403 1.00 0.00 O ATOM 206 CB LYS A 12 3.446 -2.314 -8.534 1.00 0.00 C ATOM 207 CG LYS A 12 3.541 -0.936 -9.176 1.00 0.00 C ATOM 208 CD LYS A 12 4.809 -0.227 -8.709 1.00 0.00 C ATOM 209 CE LYS A 12 4.886 1.122 -9.415 1.00 0.00 C ATOM 210 NZ LYS A 12 6.135 1.836 -9.040 1.00 0.00 N ATOM 0 H LYS A 12 1.198 -1.597 -7.819 1.00 0.00 H new ATOM 0 HA LYS A 12 2.130 -2.944 -10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.430 -2.223 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.322 -2.910 -8.791 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.547 -1.032 -10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.665 -0.343 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.792 -0.090 -7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.688 -0.828 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.854 0.976 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.020 1.728 -9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.171 2.753 -9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.150 1.992 -8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.958 1.263 -9.316 1.00 0.00 H new ATOM 224 N LYS A 13 1.867 -4.703 -7.354 1.00 0.00 N ATOM 225 CA LYS A 13 1.830 -6.049 -6.808 1.00 0.00 C ATOM 226 C LYS A 13 0.526 -6.747 -7.183 1.00 0.00 C ATOM 227 O LYS A 13 0.334 -7.930 -6.877 1.00 0.00 O ATOM 228 CB LYS A 13 2.029 -6.019 -5.287 1.00 0.00 C ATOM 229 CG LYS A 13 2.534 -7.391 -4.801 1.00 0.00 C ATOM 230 CD LYS A 13 3.860 -7.219 -4.042 1.00 0.00 C ATOM 231 CE LYS A 13 5.023 -7.117 -5.047 1.00 0.00 C ATOM 232 NZ LYS A 13 6.150 -6.357 -4.446 1.00 0.00 N ATOM 0 H LYS A 13 1.612 -3.975 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 13 2.650 -6.622 -7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.745 -5.242 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.090 -5.771 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.790 -7.853 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.675 -8.059 -5.651 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.822 -6.323 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.019 -8.064 -3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.357 -8.115 -5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.685 -6.623 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.468 -5.624 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.834 -5.909 -3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.937 -7.006 -4.243 1.00 0.00 H new ATOM 246 N LYS A 14 -0.353 -6.002 -7.847 1.00 0.00 N ATOM 247 CA LYS A 14 -1.655 -6.487 -8.311 1.00 0.00 C ATOM 248 C LYS A 14 -2.523 -7.029 -7.176 1.00 0.00 C ATOM 249 O LYS A 14 -3.387 -7.887 -7.397 1.00 0.00 O ATOM 250 CB LYS A 14 -1.499 -7.519 -9.456 1.00 0.00 C ATOM 251 CG LYS A 14 -1.279 -8.933 -8.890 1.00 0.00 C ATOM 252 CD LYS A 14 0.018 -9.525 -9.445 1.00 0.00 C ATOM 253 CE LYS A 14 0.395 -10.755 -8.619 1.00 0.00 C ATOM 254 NZ LYS A 14 0.515 -10.368 -7.185 1.00 0.00 N ATOM 0 H LYS A 14 -0.180 -5.025 -8.084 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.183 -5.622 -8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.389 -7.508 -10.085 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.657 -7.241 -10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.234 -8.895 -7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.121 -9.573 -9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.111 -9.799 -10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.817 -8.785 -9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.361 -11.531 -8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.337 -11.172 -8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.286 -10.908 -6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.720 -9.351 -7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.378 -10.575 -6.694 1.00 0.00 H new ATOM 268 N ILE A 15 -2.385 -6.441 -6.004 1.00 0.00 N ATOM 269 CA ILE A 15 -3.251 -6.769 -4.879 1.00 0.00 C ATOM 270 C ILE A 15 -3.852 -5.496 -4.305 1.00 0.00 C ATOM 271 O ILE A 15 -3.133 -4.535 -4.032 1.00 0.00 O ATOM 272 CB ILE A 15 -2.481 -7.569 -3.811 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.246 -6.793 -3.345 1.00 0.00 C ATOM 274 CG2 ILE A 15 -2.037 -8.914 -4.388 1.00 0.00 C ATOM 275 CD1 ILE A 15 -0.554 -7.567 -2.216 1.00 0.00 C ATOM 0 H ILE A 15 -1.681 -5.731 -5.802 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.066 -7.403 -5.228 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.144 -7.732 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.557 -6.650 -4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.536 -5.802 -2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.493 -9.474 -3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.913 -9.483 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.388 -8.745 -5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.326 -7.016 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.244 -7.687 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.251 -8.548 -2.580 1.00 0.00 H new ATOM 287 N SER A 16 -5.171 -5.442 -4.239 1.00 0.00 N ATOM 288 CA SER A 16 -5.839 -4.220 -3.835 1.00 0.00 C ATOM 289 C SER A 16 -5.753 -4.010 -2.340 1.00 0.00 C ATOM 290 O SER A 16 -5.648 -4.967 -1.565 1.00 0.00 O ATOM 291 CB SER A 16 -7.307 -4.215 -4.298 1.00 0.00 C ATOM 292 OG SER A 16 -8.128 -4.912 -3.354 1.00 0.00 O ATOM 0 H SER A 16 -5.793 -6.220 -4.457 1.00 0.00 H new ATOM 0 HA SER A 16 -5.323 -3.391 -4.319 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.658 -3.189 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.388 -4.685 -5.278 1.00 0.00 H new ATOM 0 HG SER A 16 -8.910 -4.364 -3.133 1.00 0.00 H new ATOM 298 N GLN A 17 -5.971 -2.777 -1.920 1.00 0.00 N ATOM 299 CA GLN A 17 -6.068 -2.487 -0.510 1.00 0.00 C ATOM 300 C GLN A 17 -7.195 -3.333 0.063 1.00 0.00 C ATOM 301 O GLN A 17 -7.088 -3.872 1.165 1.00 0.00 O ATOM 302 CB GLN A 17 -6.354 -0.990 -0.284 1.00 0.00 C ATOM 303 CG GLN A 17 -5.079 -0.270 0.187 1.00 0.00 C ATOM 304 CD GLN A 17 -4.118 -0.051 -0.985 1.00 0.00 C ATOM 305 OE1 GLN A 17 -2.897 -0.064 -0.795 1.00 0.00 O ATOM 306 NE2 GLN A 17 -4.586 0.152 -2.178 1.00 0.00 N ATOM 0 H GLN A 17 -6.083 -1.970 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.127 -2.722 -0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.715 -0.538 -1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.143 -0.871 0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.341 0.689 0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.588 -0.859 0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.594 0.163 -2.336 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.946 0.301 -2.958 1.00 0.00 H new ATOM 315 N SER A 18 -8.246 -3.490 -0.725 1.00 0.00 N ATOM 316 CA SER A 18 -9.373 -4.324 -0.356 1.00 0.00 C ATOM 317 C SER A 18 -8.944 -5.782 -0.183 1.00 0.00 C ATOM 318 O SER A 18 -9.309 -6.426 0.814 1.00 0.00 O ATOM 319 CB SER A 18 -10.467 -4.196 -1.414 1.00 0.00 C ATOM 320 OG SER A 18 -9.905 -3.603 -2.592 1.00 0.00 O ATOM 0 H SER A 18 -8.340 -3.043 -1.637 1.00 0.00 H new ATOM 0 HA SER A 18 -9.766 -3.986 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.883 -5.176 -1.647 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.286 -3.583 -1.037 1.00 0.00 H new ATOM 0 HG SER A 18 -10.599 -3.518 -3.278 1.00 0.00 H new ATOM 326 N GLU A 19 -8.080 -6.264 -1.087 1.00 0.00 N ATOM 327 CA GLU A 19 -7.539 -7.615 -0.963 1.00 0.00 C ATOM 328 C GLU A 19 -6.727 -7.696 0.313 1.00 0.00 C ATOM 329 O GLU A 19 -6.827 -8.660 1.081 1.00 0.00 O ATOM 330 CB GLU A 19 -6.609 -7.937 -2.148 1.00 0.00 C ATOM 331 CG GLU A 19 -7.402 -8.055 -3.451 1.00 0.00 C ATOM 332 CD GLU A 19 -6.449 -8.281 -4.608 1.00 0.00 C ATOM 333 OE1 GLU A 19 -5.763 -9.283 -4.596 1.00 0.00 O ATOM 334 OE2 GLU A 19 -6.410 -7.447 -5.491 1.00 0.00 O ATOM 0 H GLU A 19 -7.748 -5.744 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.365 -8.326 -0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.855 -7.156 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.078 -8.869 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.110 -8.881 -3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.984 -7.148 -3.618 1.00 0.00 H new ATOM 341 N LEU A 20 -5.932 -6.669 0.536 1.00 0.00 N ATOM 342 CA LEU A 20 -5.099 -6.585 1.722 1.00 0.00 C ATOM 343 C LEU A 20 -5.965 -6.529 2.969 1.00 0.00 C ATOM 344 O LEU A 20 -5.697 -7.207 3.956 1.00 0.00 O ATOM 345 CB LEU A 20 -4.214 -5.337 1.648 1.00 0.00 C ATOM 346 CG LEU A 20 -2.959 -5.587 0.772 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.230 -6.652 -0.300 1.00 0.00 C ATOM 348 CD2 LEU A 20 -2.558 -4.285 0.081 1.00 0.00 C ATOM 0 H LEU A 20 -5.844 -5.872 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.467 -7.472 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.787 -4.506 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.907 -5.046 2.653 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.158 -5.941 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.331 -6.804 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.509 -7.590 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.043 -6.320 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.676 -4.457 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.378 -3.939 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.333 -3.528 0.833 1.00 0.00 H new ATOM 360 N ALA A 21 -7.028 -5.742 2.905 1.00 0.00 N ATOM 361 CA ALA A 21 -7.939 -5.627 4.034 1.00 0.00 C ATOM 362 C ALA A 21 -8.570 -6.968 4.324 1.00 0.00 C ATOM 363 O ALA A 21 -8.783 -7.331 5.484 1.00 0.00 O ATOM 364 CB ALA A 21 -9.028 -4.585 3.767 1.00 0.00 C ATOM 0 H ALA A 21 -7.280 -5.179 2.093 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.364 -5.300 4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.692 -4.523 4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.567 -3.613 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.602 -4.876 2.887 1.00 0.00 H new ATOM 370 N ALA A 22 -8.850 -7.717 3.270 1.00 0.00 N ATOM 371 CA ALA A 22 -9.464 -9.024 3.421 1.00 0.00 C ATOM 372 C ALA A 22 -8.650 -9.885 4.370 1.00 0.00 C ATOM 373 O ALA A 22 -9.185 -10.780 5.012 1.00 0.00 O ATOM 374 CB ALA A 22 -9.604 -9.721 2.065 1.00 0.00 C ATOM 0 H ALA A 22 -8.663 -7.443 2.305 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.461 -8.884 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.066 -10.698 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.227 -9.115 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.618 -9.847 1.617 1.00 0.00 H new ATOM 380 N LEU A 23 -7.356 -9.608 4.464 1.00 0.00 N ATOM 381 CA LEU A 23 -6.493 -10.339 5.381 1.00 0.00 C ATOM 382 C LEU A 23 -6.904 -10.082 6.834 1.00 0.00 C ATOM 383 O LEU A 23 -6.815 -10.980 7.683 1.00 0.00 O ATOM 384 CB LEU A 23 -5.026 -9.913 5.199 1.00 0.00 C ATOM 385 CG LEU A 23 -4.493 -10.373 3.831 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.100 -9.772 3.597 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.395 -11.904 3.800 1.00 0.00 C ATOM 0 H LEU A 23 -6.883 -8.886 3.920 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.597 -11.401 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.944 -8.829 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.416 -10.340 5.995 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.175 -10.038 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.721 -10.097 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.166 -8.684 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.423 -10.107 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.017 -12.225 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.716 -12.241 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.382 -12.335 3.966 1.00 0.00 H new ATOM 399 N LEU A 24 -7.214 -8.819 7.136 1.00 0.00 N ATOM 400 CA LEU A 24 -7.449 -8.388 8.519 1.00 0.00 C ATOM 401 C LEU A 24 -8.798 -8.852 9.055 1.00 0.00 C ATOM 402 O LEU A 24 -8.933 -9.116 10.250 1.00 0.00 O ATOM 403 CB LEU A 24 -7.340 -6.860 8.626 1.00 0.00 C ATOM 404 CG LEU A 24 -5.937 -6.410 8.175 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.825 -4.889 8.232 1.00 0.00 C ATOM 406 CD2 LEU A 24 -4.857 -7.039 9.059 1.00 0.00 C ATOM 0 H LEU A 24 -7.308 -8.076 6.443 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.679 -8.855 9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.102 -6.387 8.006 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.522 -6.543 9.653 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.788 -6.742 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.829 -4.585 7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.570 -4.444 7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.996 -4.550 9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.874 -6.708 8.724 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.009 -6.732 10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.917 -8.125 8.990 1.00 0.00 H new ATOM 418 N GLU A 25 -9.780 -8.971 8.173 1.00 0.00 N ATOM 419 CA GLU A 25 -11.121 -9.422 8.558 1.00 0.00 C ATOM 420 C GLU A 25 -11.620 -8.703 9.822 1.00 0.00 C ATOM 421 O GLU A 25 -12.088 -9.340 10.775 1.00 0.00 O ATOM 422 CB GLU A 25 -11.127 -10.939 8.757 1.00 0.00 C ATOM 423 CG GLU A 25 -10.881 -11.617 7.404 1.00 0.00 C ATOM 424 CD GLU A 25 -10.772 -13.122 7.548 1.00 0.00 C ATOM 425 OE1 GLU A 25 -10.943 -13.615 8.640 1.00 0.00 O ATOM 426 OE2 GLU A 25 -10.508 -13.763 6.560 1.00 0.00 O ATOM 0 H GLU A 25 -9.678 -8.762 7.180 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.808 -9.169 7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.355 -11.229 9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.082 -11.261 9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.695 -11.374 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.965 -11.226 6.961 1.00 0.00 H new ATOM 433 N VAL A 26 -11.539 -7.388 9.808 1.00 0.00 N ATOM 434 CA VAL A 26 -12.020 -6.549 10.908 1.00 0.00 C ATOM 435 C VAL A 26 -12.633 -5.279 10.340 1.00 0.00 C ATOM 436 O VAL A 26 -12.675 -5.109 9.128 1.00 0.00 O ATOM 437 CB VAL A 26 -10.881 -6.219 11.889 1.00 0.00 C ATOM 438 CG1 VAL A 26 -10.694 -7.380 12.863 1.00 0.00 C ATOM 439 CG2 VAL A 26 -9.576 -6.008 11.122 1.00 0.00 C ATOM 0 H VAL A 26 -11.137 -6.860 9.033 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.781 -7.095 11.465 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.138 -5.310 12.434 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.887 -7.146 13.558 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.617 -7.540 13.420 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.444 -8.284 12.308 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.775 -5.775 11.824 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.325 -6.916 10.574 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.696 -5.182 10.421 1.00 0.00 H new ATOM 449 N SER A 27 -13.013 -4.342 11.199 1.00 0.00 N ATOM 450 CA SER A 27 -13.523 -3.058 10.717 1.00 0.00 C ATOM 451 C SER A 27 -12.627 -2.495 9.604 1.00 0.00 C ATOM 452 O SER A 27 -13.032 -1.601 8.851 1.00 0.00 O ATOM 453 CB SER A 27 -13.679 -2.050 11.863 1.00 0.00 C ATOM 454 OG SER A 27 -12.920 -2.481 12.996 1.00 0.00 O ATOM 0 H SER A 27 -12.981 -4.439 12.214 1.00 0.00 H new ATOM 0 HA SER A 27 -14.514 -3.232 10.297 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.341 -1.065 11.541 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.730 -1.954 12.134 1.00 0.00 H new ATOM 0 HG SER A 27 -13.022 -1.833 13.724 1.00 0.00 H new ATOM 460 N ARG A 28 -11.432 -3.070 9.465 1.00 0.00 N ATOM 461 CA ARG A 28 -10.508 -2.657 8.438 1.00 0.00 C ATOM 462 C ARG A 28 -11.146 -2.791 7.068 1.00 0.00 C ATOM 463 O ARG A 28 -10.921 -1.947 6.206 1.00 0.00 O ATOM 464 CB ARG A 28 -9.221 -3.492 8.475 1.00 0.00 C ATOM 465 CG ARG A 28 -8.451 -3.245 9.782 1.00 0.00 C ATOM 466 CD ARG A 28 -8.029 -1.774 9.878 1.00 0.00 C ATOM 467 NE ARG A 28 -7.133 -1.562 11.019 1.00 0.00 N ATOM 468 CZ ARG A 28 -7.498 -0.853 12.098 1.00 0.00 C ATOM 469 NH1 ARG A 28 -8.741 -0.507 12.263 1.00 0.00 N ATOM 470 NH2 ARG A 28 -6.614 -0.560 13.008 1.00 0.00 N ATOM 0 H ARG A 28 -11.091 -3.825 10.059 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.255 -1.614 8.627 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.466 -4.550 8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.592 -3.237 7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.075 -3.508 10.636 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.571 -3.887 9.821 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.529 -1.474 8.957 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.912 -1.144 9.982 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.198 -1.968 10.991 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.441 -0.775 11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.016 0.032 13.084 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.648 -0.869 12.899 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.887 -0.021 13.830 1.00 0.00 H new ATOM 484 N GLN A 29 -11.976 -3.819 6.862 1.00 0.00 N ATOM 485 CA GLN A 29 -12.633 -3.948 5.560 1.00 0.00 C ATOM 486 C GLN A 29 -13.473 -2.708 5.316 1.00 0.00 C ATOM 487 O GLN A 29 -13.430 -2.119 4.236 1.00 0.00 O ATOM 488 CB GLN A 29 -13.530 -5.209 5.442 1.00 0.00 C ATOM 489 CG GLN A 29 -13.225 -6.248 6.531 1.00 0.00 C ATOM 490 CD GLN A 29 -11.745 -6.610 6.541 1.00 0.00 C ATOM 491 OE1 GLN A 29 -11.031 -6.297 7.496 1.00 0.00 O ATOM 492 NE2 GLN A 29 -11.241 -7.250 5.541 1.00 0.00 N ATOM 0 H GLN A 29 -12.201 -4.542 7.545 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.849 -4.055 4.811 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.577 -4.914 5.508 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.388 -5.662 4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.513 -5.854 7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.821 -7.144 6.361 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.832 -7.509 4.751 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.251 -7.497 5.540 1.00 0.00 H new ATOM 501 N THR A 30 -14.160 -2.270 6.363 1.00 0.00 N ATOM 502 CA THR A 30 -14.932 -1.038 6.325 1.00 0.00 C ATOM 503 C THR A 30 -14.000 0.168 6.143 1.00 0.00 C ATOM 504 O THR A 30 -14.247 1.047 5.311 1.00 0.00 O ATOM 505 CB THR A 30 -15.749 -0.903 7.621 1.00 0.00 C ATOM 506 OG1 THR A 30 -16.408 -2.146 7.894 1.00 0.00 O ATOM 507 CG2 THR A 30 -16.806 0.199 7.458 1.00 0.00 C ATOM 0 H THR A 30 -14.197 -2.757 7.258 1.00 0.00 H new ATOM 0 HA THR A 30 -15.617 -1.068 5.478 1.00 0.00 H new ATOM 0 HB THR A 30 -15.081 -0.646 8.443 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.929 -2.066 8.720 1.00 0.00 H new ATOM 0 HG21 THR A 30 -17.382 0.290 8.379 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.313 1.147 7.243 1.00 0.00 H new ATOM 0 HG23 THR A 30 -17.475 -0.057 6.636 1.00 0.00 H new ATOM 515 N ILE A 31 -12.919 0.185 6.913 1.00 0.00 N ATOM 516 CA ILE A 31 -11.932 1.261 6.851 1.00 0.00 C ATOM 517 C ILE A 31 -11.278 1.297 5.475 1.00 0.00 C ATOM 518 O ILE A 31 -11.024 2.364 4.925 1.00 0.00 O ATOM 519 CB ILE A 31 -10.878 1.093 7.962 1.00 0.00 C ATOM 520 CG1 ILE A 31 -11.540 1.308 9.323 1.00 0.00 C ATOM 521 CG2 ILE A 31 -9.746 2.118 7.791 1.00 0.00 C ATOM 522 CD1 ILE A 31 -10.580 0.898 10.438 1.00 0.00 C ATOM 0 H ILE A 31 -12.701 -0.541 7.595 1.00 0.00 H new ATOM 0 HA ILE A 31 -12.439 2.212 7.012 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.461 0.088 7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.821 2.355 9.439 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -12.457 0.723 9.388 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.011 1.984 8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.266 1.972 6.823 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -10.157 3.126 7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.058 1.054 11.405 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -10.321 -0.155 10.326 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.675 1.502 10.379 1.00 0.00 H new ATOM 534 N ASN A 32 -10.958 0.128 4.954 1.00 0.00 N ATOM 535 CA ASN A 32 -10.277 0.013 3.669 1.00 0.00 C ATOM 536 C ASN A 32 -10.877 0.961 2.637 1.00 0.00 C ATOM 537 O ASN A 32 -10.165 1.477 1.763 1.00 0.00 O ATOM 538 CB ASN A 32 -10.353 -1.421 3.153 1.00 0.00 C ATOM 539 CG ASN A 32 -9.198 -1.690 2.213 1.00 0.00 C ATOM 540 OD1 ASN A 32 -9.360 -1.617 0.997 1.00 0.00 O ATOM 541 ND2 ASN A 32 -8.032 -1.987 2.697 1.00 0.00 N ATOM 0 H ASN A 32 -11.159 -0.766 5.402 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.233 0.287 3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.324 -2.120 3.989 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.299 -1.582 2.636 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.248 -2.160 2.068 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.899 -2.047 3.707 1.00 0.00 H new ATOM 548 N GLY A 33 -12.176 1.193 2.732 1.00 0.00 N ATOM 549 CA GLY A 33 -12.839 2.142 1.845 1.00 0.00 C ATOM 550 C GLY A 33 -12.372 3.554 2.161 1.00 0.00 C ATOM 551 O GLY A 33 -11.961 4.307 1.272 1.00 0.00 O ATOM 0 H GLY A 33 -12.791 0.742 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.616 1.899 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.920 2.071 1.964 1.00 0.00 H new ATOM 555 N ILE A 34 -12.303 3.850 3.449 1.00 0.00 N ATOM 556 CA ILE A 34 -11.791 5.118 3.937 1.00 0.00 C ATOM 557 C ILE A 34 -10.325 5.270 3.563 1.00 0.00 C ATOM 558 O ILE A 34 -9.894 6.356 3.141 1.00 0.00 O ATOM 559 CB ILE A 34 -11.987 5.232 5.463 1.00 0.00 C ATOM 560 CG1 ILE A 34 -13.488 5.305 5.786 1.00 0.00 C ATOM 561 CG2 ILE A 34 -11.291 6.489 5.999 1.00 0.00 C ATOM 562 CD1 ILE A 34 -14.105 6.554 5.140 1.00 0.00 C ATOM 0 H ILE A 34 -12.602 3.214 4.188 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.351 5.926 3.467 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.549 4.354 5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.991 4.410 5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.635 5.334 6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.439 6.555 7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.224 6.435 5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.715 7.372 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -15.169 6.597 5.374 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.612 7.445 5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -13.973 6.507 4.059 1.00 0.00 H new ATOM 574 N GLU A 35 -9.560 4.188 3.723 1.00 0.00 N ATOM 575 CA GLU A 35 -8.135 4.223 3.416 1.00 0.00 C ATOM 576 C GLU A 35 -7.936 4.714 1.991 1.00 0.00 C ATOM 577 O GLU A 35 -7.079 5.541 1.733 1.00 0.00 O ATOM 578 CB GLU A 35 -7.516 2.813 3.539 1.00 0.00 C ATOM 579 CG GLU A 35 -7.539 2.325 4.996 1.00 0.00 C ATOM 580 CD GLU A 35 -6.603 3.153 5.868 1.00 0.00 C ATOM 581 OE1 GLU A 35 -5.416 3.207 5.572 1.00 0.00 O ATOM 582 OE2 GLU A 35 -7.072 3.705 6.831 1.00 0.00 O ATOM 0 H GLU A 35 -9.902 3.288 4.060 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.648 4.894 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.067 2.114 2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.489 2.830 3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.555 2.387 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.245 1.276 5.036 1.00 0.00 H new ATOM 589 N LYS A 36 -8.728 4.192 1.063 1.00 0.00 N ATOM 590 CA LYS A 36 -8.634 4.633 -0.327 1.00 0.00 C ATOM 591 C LYS A 36 -9.221 6.025 -0.468 1.00 0.00 C ATOM 592 O LYS A 36 -8.758 6.843 -1.275 1.00 0.00 O ATOM 593 CB LYS A 36 -9.464 3.720 -1.219 1.00 0.00 C ATOM 594 CG LYS A 36 -8.935 2.301 -1.163 1.00 0.00 C ATOM 595 CD LYS A 36 -9.778 1.434 -2.096 1.00 0.00 C ATOM 596 CE LYS A 36 -9.807 0.002 -1.577 1.00 0.00 C ATOM 597 NZ LYS A 36 -10.523 -0.019 -0.275 1.00 0.00 N ATOM 0 H LYS A 36 -9.432 3.475 1.240 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.583 4.616 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.506 3.739 -0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.439 4.084 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.888 2.275 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.983 1.918 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.792 1.829 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.364 1.458 -3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.307 -0.649 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.792 -0.377 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.079 -0.717 0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.474 0.923 0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.518 -0.277 -0.430 1.00 0.00 H new ATOM 611 N ASN A 37 -10.388 6.174 0.142 1.00 0.00 N ATOM 612 CA ASN A 37 -11.254 7.324 -0.084 1.00 0.00 C ATOM 613 C ASN A 37 -10.698 8.643 0.436 1.00 0.00 C ATOM 614 O ASN A 37 -10.695 9.638 -0.292 1.00 0.00 O ATOM 615 CB ASN A 37 -12.636 7.043 0.550 1.00 0.00 C ATOM 616 CG ASN A 37 -13.446 8.323 0.733 1.00 0.00 C ATOM 617 OD1 ASN A 37 -14.053 8.530 1.791 1.00 0.00 O ATOM 618 ND2 ASN A 37 -13.497 9.196 -0.213 1.00 0.00 N ATOM 0 H ASN A 37 -10.763 5.500 0.809 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.332 7.449 -1.164 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -13.191 6.349 -0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.501 6.557 1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -14.036 10.053 -0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.998 9.030 -1.087 1.00 0.00 H new ATOM 625 N LYS A 38 -10.336 8.685 1.703 1.00 0.00 N ATOM 626 CA LYS A 38 -9.914 9.945 2.323 1.00 0.00 C ATOM 627 C LYS A 38 -8.424 10.061 2.558 1.00 0.00 C ATOM 628 O LYS A 38 -7.862 11.155 2.475 1.00 0.00 O ATOM 629 CB LYS A 38 -10.719 10.212 3.595 1.00 0.00 C ATOM 630 CG LYS A 38 -12.147 10.588 3.172 1.00 0.00 C ATOM 631 CD LYS A 38 -13.055 10.753 4.386 1.00 0.00 C ATOM 632 CE LYS A 38 -14.410 11.327 3.938 1.00 0.00 C ATOM 633 NZ LYS A 38 -15.064 10.407 2.960 1.00 0.00 N ATOM 0 H LYS A 38 -10.322 7.877 2.325 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.133 10.727 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.729 9.329 4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.266 11.018 4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.128 11.516 2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.550 9.817 2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.200 9.791 4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.589 11.417 5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.057 11.468 4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.265 12.308 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.167 10.890 2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.478 9.556 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.003 10.133 3.315 1.00 0.00 H new ATOM 647 N TYR A 39 -7.821 8.979 2.981 1.00 0.00 N ATOM 648 CA TYR A 39 -6.428 8.999 3.400 1.00 0.00 C ATOM 649 C TYR A 39 -5.550 8.245 2.426 1.00 0.00 C ATOM 650 O TYR A 39 -6.019 7.734 1.411 1.00 0.00 O ATOM 651 CB TYR A 39 -6.287 8.361 4.791 1.00 0.00 C ATOM 652 CG TYR A 39 -7.105 9.119 5.813 1.00 0.00 C ATOM 653 CD1 TYR A 39 -6.670 10.364 6.275 1.00 0.00 C ATOM 654 CD2 TYR A 39 -8.286 8.562 6.312 1.00 0.00 C ATOM 655 CE1 TYR A 39 -7.415 11.049 7.239 1.00 0.00 C ATOM 656 CE2 TYR A 39 -9.032 9.250 7.273 1.00 0.00 C ATOM 657 CZ TYR A 39 -8.595 10.492 7.737 1.00 0.00 C ATOM 658 OH TYR A 39 -9.322 11.165 8.697 1.00 0.00 O ATOM 0 H TYR A 39 -8.269 8.065 3.047 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.108 10.040 3.430 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.614 7.322 4.755 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.239 8.355 5.089 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.759 10.796 5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -8.622 7.600 5.955 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.078 12.010 7.599 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -9.946 8.821 7.656 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.115 10.641 8.934 1.00 0.00 H new ATOM 668 N ASN A 40 -4.299 8.086 2.809 1.00 0.00 N ATOM 669 CA ASN A 40 -3.384 7.207 2.108 1.00 0.00 C ATOM 670 C ASN A 40 -3.428 5.870 2.823 1.00 0.00 C ATOM 671 O ASN A 40 -3.682 5.835 4.029 1.00 0.00 O ATOM 672 CB ASN A 40 -1.953 7.770 2.150 1.00 0.00 C ATOM 673 CG ASN A 40 -1.296 7.481 3.501 1.00 0.00 C ATOM 674 OD1 ASN A 40 -0.704 6.344 3.706 1.00 0.00 O flip ATOM 675 ND2 ASN A 40 -1.331 8.324 4.399 1.00 0.00 N flip ATOM 0 H ASN A 40 -3.889 8.561 3.613 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.672 7.110 1.061 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.360 7.328 1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.975 8.845 1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.795 9.218 4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.896 8.127 5.300 1.00 0.00 H new ATOM 682 N PRO A 41 -3.228 4.776 2.139 1.00 0.00 N ATOM 683 CA PRO A 41 -3.312 3.463 2.822 1.00 0.00 C ATOM 684 C PRO A 41 -2.320 3.426 3.982 1.00 0.00 C ATOM 685 O PRO A 41 -1.113 3.610 3.783 1.00 0.00 O ATOM 686 CB PRO A 41 -2.941 2.468 1.723 1.00 0.00 C ATOM 687 CG PRO A 41 -2.017 3.218 0.814 1.00 0.00 C ATOM 688 CD PRO A 41 -2.373 4.707 0.937 1.00 0.00 C ATOM 0 HA PRO A 41 -4.289 3.246 3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.455 1.585 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.826 2.123 1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.978 3.046 1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.130 2.879 -0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.480 5.322 1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.900 5.065 0.052 1.00 0.00 H new ATOM 696 N SER A 42 -2.845 3.317 5.190 1.00 0.00 N ATOM 697 CA SER A 42 -2.033 3.465 6.391 1.00 0.00 C ATOM 698 C SER A 42 -0.869 2.477 6.453 1.00 0.00 C ATOM 699 O SER A 42 -1.008 1.287 6.111 1.00 0.00 O ATOM 700 CB SER A 42 -2.911 3.371 7.643 1.00 0.00 C ATOM 701 OG SER A 42 -3.894 2.354 7.455 1.00 0.00 O ATOM 0 H SER A 42 -3.831 3.126 5.368 1.00 0.00 H new ATOM 0 HA SER A 42 -1.582 4.456 6.350 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.298 3.143 8.515 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.394 4.329 7.835 1.00 0.00 H new ATOM 0 HG SER A 42 -4.698 2.746 7.055 1.00 0.00 H new ATOM 707 N LEU A 43 0.281 2.984 6.891 1.00 0.00 N ATOM 708 CA LEU A 43 1.492 2.186 7.008 1.00 0.00 C ATOM 709 C LEU A 43 1.329 1.080 8.033 1.00 0.00 C ATOM 710 O LEU A 43 1.794 -0.040 7.821 1.00 0.00 O ATOM 711 CB LEU A 43 2.705 3.058 7.348 1.00 0.00 C ATOM 712 CG LEU A 43 3.041 3.974 6.158 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.152 4.944 6.556 1.00 0.00 C ATOM 714 CD2 LEU A 43 3.504 3.132 4.961 1.00 0.00 C ATOM 0 H LEU A 43 0.396 3.957 7.173 1.00 0.00 H new ATOM 0 HA LEU A 43 1.668 1.724 6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.495 3.659 8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.562 2.428 7.586 1.00 0.00 H new ATOM 0 HG LEU A 43 2.149 4.534 5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.389 5.592 5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.820 5.551 7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.041 4.382 6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.740 3.789 4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.392 2.564 5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.709 2.445 4.671 1.00 0.00 H new ATOM 726 N GLN A 44 0.674 1.385 9.150 1.00 0.00 N ATOM 727 CA GLN A 44 0.502 0.378 10.191 1.00 0.00 C ATOM 728 C GLN A 44 -0.196 -0.836 9.612 1.00 0.00 C ATOM 729 O GLN A 44 0.280 -1.961 9.763 1.00 0.00 O ATOM 730 CB GLN A 44 -0.305 0.926 11.380 1.00 0.00 C ATOM 731 CG GLN A 44 0.504 1.999 12.121 1.00 0.00 C ATOM 732 CD GLN A 44 -0.300 2.536 13.303 1.00 0.00 C ATOM 733 OE1 GLN A 44 -1.525 2.682 13.212 1.00 0.00 O ATOM 734 NE2 GLN A 44 0.306 2.831 14.411 1.00 0.00 N ATOM 0 H GLN A 44 0.264 2.296 9.354 1.00 0.00 H new ATOM 0 HA GLN A 44 1.489 0.098 10.558 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.245 1.349 11.026 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.557 0.114 12.063 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.446 1.578 12.473 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.753 2.813 11.440 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.316 2.711 14.487 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.227 3.183 15.206 1.00 0.00 H new ATOM 743 N LEU A 45 -1.228 -0.592 8.815 1.00 0.00 N ATOM 744 CA LEU A 45 -1.875 -1.671 8.091 1.00 0.00 C ATOM 745 C LEU A 45 -0.887 -2.274 7.115 1.00 0.00 C ATOM 746 O LEU A 45 -0.821 -3.492 6.942 1.00 0.00 O ATOM 747 CB LEU A 45 -3.115 -1.182 7.327 1.00 0.00 C ATOM 748 CG LEU A 45 -4.211 -0.743 8.306 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.410 -0.199 7.523 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.658 -1.926 9.166 1.00 0.00 C ATOM 0 H LEU A 45 -1.629 0.332 8.656 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.203 -2.417 8.815 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.844 -0.349 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.491 -1.978 6.684 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.812 0.036 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.188 0.113 8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.096 0.656 6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.800 -0.978 6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.436 -1.600 9.856 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.049 -2.715 8.524 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.807 -2.307 9.731 1.00 0.00 H new ATOM 762 N ALA A 46 -0.110 -1.401 6.482 1.00 0.00 N ATOM 763 CA ALA A 46 0.875 -1.830 5.508 1.00 0.00 C ATOM 764 C ALA A 46 1.816 -2.836 6.122 1.00 0.00 C ATOM 765 O ALA A 46 2.254 -3.758 5.451 1.00 0.00 O ATOM 766 CB ALA A 46 1.678 -0.638 4.973 1.00 0.00 C ATOM 0 H ALA A 46 -0.147 -0.392 6.629 1.00 0.00 H new ATOM 0 HA ALA A 46 0.342 -2.292 4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.409 -0.989 4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.002 0.071 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.195 -0.148 5.798 1.00 0.00 H new ATOM 772 N LEU A 47 2.152 -2.634 7.386 1.00 0.00 N ATOM 773 CA LEU A 47 3.082 -3.521 8.076 1.00 0.00 C ATOM 774 C LEU A 47 2.530 -4.943 8.173 1.00 0.00 C ATOM 775 O LEU A 47 3.262 -5.913 7.970 1.00 0.00 O ATOM 776 CB LEU A 47 3.405 -2.989 9.476 1.00 0.00 C ATOM 777 CG LEU A 47 4.233 -1.696 9.368 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.391 -1.073 10.753 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.623 -2.002 8.790 1.00 0.00 C ATOM 0 H LEU A 47 1.797 -1.866 7.956 1.00 0.00 H new ATOM 0 HA LEU A 47 4.000 -3.550 7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.482 -2.795 10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.958 -3.739 10.041 1.00 0.00 H new ATOM 0 HG LEU A 47 3.715 -1.001 8.707 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.977 -0.158 10.675 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.408 -0.840 11.162 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.901 -1.776 11.412 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.199 -1.079 8.719 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.142 -2.704 9.443 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.516 -2.440 7.798 1.00 0.00 H new ATOM 791 N LYS A 48 1.246 -5.071 8.481 1.00 0.00 N ATOM 792 CA LYS A 48 0.624 -6.397 8.579 1.00 0.00 C ATOM 793 C LYS A 48 0.624 -7.088 7.229 1.00 0.00 C ATOM 794 O LYS A 48 1.005 -8.253 7.108 1.00 0.00 O ATOM 795 CB LYS A 48 -0.808 -6.287 9.121 1.00 0.00 C ATOM 796 CG LYS A 48 -0.768 -6.030 10.635 1.00 0.00 C ATOM 797 CD LYS A 48 -0.464 -4.555 10.910 1.00 0.00 C ATOM 798 CE LYS A 48 -0.542 -4.289 12.413 1.00 0.00 C ATOM 799 NZ LYS A 48 0.456 -5.143 13.117 1.00 0.00 N ATOM 0 H LYS A 48 0.618 -4.289 8.666 1.00 0.00 H new ATOM 0 HA LYS A 48 1.211 -6.996 9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.337 -5.477 8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.358 -7.205 8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.724 -6.302 11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.008 -6.659 11.099 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.528 -4.302 10.536 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.176 -3.921 10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.346 -3.237 12.618 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.545 -4.504 12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.627 -4.764 14.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.091 -6.114 13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.348 -5.148 12.582 1.00 0.00 H new ATOM 813 N ILE A 49 0.266 -6.340 6.209 1.00 0.00 N ATOM 814 CA ILE A 49 0.265 -6.853 4.853 1.00 0.00 C ATOM 815 C ILE A 49 1.681 -6.892 4.292 1.00 0.00 C ATOM 816 O ILE A 49 1.950 -7.571 3.305 1.00 0.00 O ATOM 817 CB ILE A 49 -0.683 -6.044 3.959 1.00 0.00 C ATOM 818 CG1 ILE A 49 -0.254 -4.577 3.932 1.00 0.00 C ATOM 819 CG2 ILE A 49 -2.117 -6.142 4.511 1.00 0.00 C ATOM 820 CD1 ILE A 49 -1.119 -3.809 2.934 1.00 0.00 C ATOM 0 H ILE A 49 -0.030 -5.368 6.292 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.108 -7.877 4.872 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.647 -6.448 2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.353 -4.140 4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.797 -4.500 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.791 -5.567 3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.432 -7.186 4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.145 -5.743 5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.812 -2.763 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.998 -4.240 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.165 -3.875 3.233 1.00 0.00 H new ATOM 832 N ALA A 50 2.568 -6.109 4.897 1.00 0.00 N ATOM 833 CA ALA A 50 3.950 -5.997 4.436 1.00 0.00 C ATOM 834 C ALA A 50 4.553 -7.368 4.216 1.00 0.00 C ATOM 835 O ALA A 50 5.282 -7.577 3.257 1.00 0.00 O ATOM 836 CB ALA A 50 4.810 -5.218 5.444 1.00 0.00 C ATOM 0 H ALA A 50 2.353 -5.538 5.714 1.00 0.00 H new ATOM 0 HA ALA A 50 3.936 -5.453 3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.833 -5.151 5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.403 -4.215 5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.804 -5.735 6.403 1.00 0.00 H new ATOM 842 N TYR A 51 4.209 -8.312 5.077 1.00 0.00 N ATOM 843 CA TYR A 51 4.690 -9.676 4.910 1.00 0.00 C ATOM 844 C TYR A 51 4.191 -10.212 3.569 1.00 0.00 C ATOM 845 O TYR A 51 4.965 -10.724 2.759 1.00 0.00 O ATOM 846 CB TYR A 51 4.170 -10.573 6.049 1.00 0.00 C ATOM 847 CG TYR A 51 5.211 -11.616 6.420 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.935 -12.289 5.424 1.00 0.00 C ATOM 849 CD2 TYR A 51 5.450 -11.911 7.767 1.00 0.00 C ATOM 850 CE1 TYR A 51 6.889 -13.245 5.776 1.00 0.00 C ATOM 851 CE2 TYR A 51 6.404 -12.868 8.117 1.00 0.00 C ATOM 852 CZ TYR A 51 7.124 -13.535 7.122 1.00 0.00 C ATOM 853 OH TYR A 51 8.067 -14.481 7.468 1.00 0.00 O ATOM 0 H TYR A 51 3.608 -8.164 5.887 1.00 0.00 H new ATOM 0 HA TYR A 51 5.780 -9.680 4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.931 -9.963 6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.247 -11.065 5.741 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.754 -12.067 4.383 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.895 -11.397 8.538 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.446 -13.761 5.007 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.586 -13.093 9.157 1.00 0.00 H new ATOM 0 HH TYR A 51 8.107 -14.561 8.444 1.00 0.00 H new ATOM 863 N TYR A 52 2.898 -10.028 3.327 1.00 0.00 N ATOM 864 CA TYR A 52 2.276 -10.432 2.070 1.00 0.00 C ATOM 865 C TYR A 52 2.813 -9.598 0.924 1.00 0.00 C ATOM 866 O TYR A 52 3.091 -10.112 -0.165 1.00 0.00 O ATOM 867 CB TYR A 52 0.754 -10.292 2.159 1.00 0.00 C ATOM 868 CG TYR A 52 0.221 -11.308 3.140 1.00 0.00 C ATOM 869 CD1 TYR A 52 0.090 -12.643 2.757 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.137 -10.914 4.433 1.00 0.00 C ATOM 871 CE1 TYR A 52 -0.395 -13.582 3.661 1.00 0.00 C ATOM 872 CE2 TYR A 52 -0.626 -11.855 5.339 1.00 0.00 C ATOM 873 CZ TYR A 52 -0.755 -13.191 4.952 1.00 0.00 C ATOM 874 OH TYR A 52 -1.234 -14.124 5.847 1.00 0.00 O ATOM 0 H TYR A 52 2.255 -9.598 3.991 1.00 0.00 H new ATOM 0 HA TYR A 52 2.519 -11.478 1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.487 -9.285 2.479 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.304 -10.445 1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.365 -12.947 1.758 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.035 -9.881 4.730 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.493 -14.616 3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.904 -11.551 6.337 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.436 -13.686 6.700 1.00 0.00 H new ATOM 884 N LEU A 53 2.997 -8.313 1.179 1.00 0.00 N ATOM 885 CA LEU A 53 3.562 -7.428 0.177 1.00 0.00 C ATOM 886 C LEU A 53 4.984 -7.859 -0.108 1.00 0.00 C ATOM 887 O LEU A 53 5.901 -7.515 0.636 1.00 0.00 O ATOM 888 CB LEU A 53 3.581 -5.966 0.680 1.00 0.00 C ATOM 889 CG LEU A 53 2.372 -5.160 0.166 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.343 -5.130 -1.367 1.00 0.00 C ATOM 891 CD2 LEU A 53 1.071 -5.748 0.708 1.00 0.00 C ATOM 0 H LEU A 53 2.765 -7.863 2.065 1.00 0.00 H new ATOM 0 HA LEU A 53 2.950 -7.483 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.584 -5.958 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.503 -5.483 0.355 1.00 0.00 H new ATOM 0 HG LEU A 53 2.472 -4.136 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.480 -4.555 -1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.256 -4.665 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.272 -6.148 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.227 -5.168 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.974 -6.782 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.083 -5.714 1.797 1.00 0.00 H new ATOM 903 N ASN A 54 5.190 -8.564 -1.204 1.00 0.00 N ATOM 904 CA ASN A 54 6.540 -8.960 -1.565 1.00 0.00 C ATOM 905 C ASN A 54 7.318 -7.724 -1.984 1.00 0.00 C ATOM 906 O ASN A 54 7.687 -7.565 -3.151 1.00 0.00 O ATOM 907 CB ASN A 54 6.530 -9.997 -2.694 1.00 0.00 C ATOM 908 CG ASN A 54 7.910 -10.631 -2.822 1.00 0.00 C ATOM 909 OD1 ASN A 54 8.732 -10.516 -1.912 1.00 0.00 O ATOM 910 ND2 ASN A 54 8.219 -11.294 -3.887 1.00 0.00 N ATOM 0 H ASN A 54 4.460 -8.869 -1.847 1.00 0.00 H new ATOM 0 HA ASN A 54 7.019 -9.423 -0.702 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.784 -10.765 -2.489 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.249 -9.522 -3.634 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.142 -11.721 -3.973 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.540 -11.391 -4.642 1.00 0.00 H new ATOM 917 N THR A 55 7.439 -6.801 -1.044 1.00 0.00 N ATOM 918 CA THR A 55 8.051 -5.499 -1.255 1.00 0.00 C ATOM 919 C THR A 55 8.376 -4.895 0.107 1.00 0.00 C ATOM 920 O THR A 55 7.461 -4.622 0.888 1.00 0.00 O ATOM 921 CB THR A 55 7.046 -4.571 -1.973 1.00 0.00 C ATOM 922 OG1 THR A 55 5.895 -5.319 -2.377 1.00 0.00 O ATOM 923 CG2 THR A 55 7.694 -3.913 -3.190 1.00 0.00 C ATOM 0 H THR A 55 7.106 -6.940 -0.090 1.00 0.00 H new ATOM 0 HA THR A 55 8.953 -5.605 -1.858 1.00 0.00 H new ATOM 0 HB THR A 55 6.741 -3.788 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.362 -5.550 -1.588 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.969 -3.264 -3.681 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.552 -3.322 -2.870 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.023 -4.683 -3.888 1.00 0.00 H new ATOM 931 N PRO A 56 9.628 -4.701 0.428 1.00 0.00 N ATOM 932 CA PRO A 56 9.963 -4.127 1.757 1.00 0.00 C ATOM 933 C PRO A 56 9.481 -2.687 1.863 1.00 0.00 C ATOM 934 O PRO A 56 9.708 -1.877 0.962 1.00 0.00 O ATOM 935 CB PRO A 56 11.489 -4.201 1.807 1.00 0.00 C ATOM 936 CG PRO A 56 11.915 -4.087 0.381 1.00 0.00 C ATOM 937 CD PRO A 56 10.819 -4.764 -0.448 1.00 0.00 C ATOM 0 HA PRO A 56 9.488 -4.659 2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.906 -3.396 2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.827 -5.139 2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 56 12.032 -3.043 0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 56 12.878 -4.572 0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 56 10.651 -4.243 -1.391 1.00 0.00 H new ATOM 0 HD3 PRO A 56 11.081 -5.793 -0.694 1.00 0.00 H new ATOM 945 N LEU A 57 8.892 -2.352 2.991 1.00 0.00 N ATOM 946 CA LEU A 57 8.448 -0.994 3.233 1.00 0.00 C ATOM 947 C LEU A 57 9.638 -0.069 3.402 1.00 0.00 C ATOM 948 O LEU A 57 9.599 1.104 3.034 1.00 0.00 O ATOM 949 CB LEU A 57 7.498 -0.917 4.428 1.00 0.00 C ATOM 950 CG LEU A 57 6.224 -1.729 4.115 1.00 0.00 C ATOM 951 CD1 LEU A 57 5.271 -1.688 5.310 1.00 0.00 C ATOM 952 CD2 LEU A 57 5.526 -1.167 2.866 1.00 0.00 C ATOM 0 H LEU A 57 8.709 -3.001 3.756 1.00 0.00 H new ATOM 0 HA LEU A 57 7.884 -0.662 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.984 -1.310 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.240 0.121 4.637 1.00 0.00 H new ATOM 0 HG LEU A 57 6.507 -2.764 3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.374 -2.264 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.763 -2.116 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.995 -0.655 5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.629 -1.750 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.251 -0.127 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.203 -1.225 2.014 1.00 0.00 H new ATOM 964 N GLU A 58 10.687 -0.595 3.982 1.00 0.00 N ATOM 965 CA GLU A 58 11.872 0.176 4.242 1.00 0.00 C ATOM 966 C GLU A 58 12.312 0.907 2.976 1.00 0.00 C ATOM 967 O GLU A 58 12.848 2.024 3.042 1.00 0.00 O ATOM 968 CB GLU A 58 12.992 -0.743 4.743 1.00 0.00 C ATOM 969 CG GLU A 58 12.582 -1.374 6.085 1.00 0.00 C ATOM 970 CD GLU A 58 11.866 -2.698 5.866 1.00 0.00 C ATOM 971 OE1 GLU A 58 10.852 -2.712 5.200 1.00 0.00 O ATOM 972 OE2 GLU A 58 12.340 -3.685 6.374 1.00 0.00 O ATOM 0 H GLU A 58 10.742 -1.567 4.286 1.00 0.00 H new ATOM 0 HA GLU A 58 11.653 0.916 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.191 -1.524 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.915 -0.176 4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.466 -1.532 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.931 -0.690 6.629 1.00 0.00 H new ATOM 979 N ASP A 59 12.015 0.312 1.826 1.00 0.00 N ATOM 980 CA ASP A 59 12.324 0.930 0.545 1.00 0.00 C ATOM 981 C ASP A 59 11.531 2.222 0.351 1.00 0.00 C ATOM 982 O ASP A 59 12.068 3.222 -0.130 1.00 0.00 O ATOM 983 CB ASP A 59 12.071 -0.040 -0.618 1.00 0.00 C ATOM 984 CG ASP A 59 12.712 0.478 -1.898 1.00 0.00 C ATOM 985 OD1 ASP A 59 13.674 1.217 -1.805 1.00 0.00 O ATOM 986 OD2 ASP A 59 12.254 0.111 -2.954 1.00 0.00 O ATOM 0 H ASP A 59 11.560 -0.598 1.756 1.00 0.00 H new ATOM 0 HA ASP A 59 13.385 1.180 0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.476 -1.022 -0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.999 -0.165 -0.767 1.00 0.00 H new ATOM 991 N ILE A 60 10.271 2.229 0.780 1.00 0.00 N ATOM 992 CA ILE A 60 9.484 3.458 0.723 1.00 0.00 C ATOM 993 C ILE A 60 9.799 4.334 1.927 1.00 0.00 C ATOM 994 O ILE A 60 9.677 5.558 1.869 1.00 0.00 O ATOM 995 CB ILE A 60 7.972 3.173 0.644 1.00 0.00 C ATOM 996 CG1 ILE A 60 7.513 2.373 1.869 1.00 0.00 C ATOM 997 CG2 ILE A 60 7.661 2.376 -0.628 1.00 0.00 C ATOM 998 CD1 ILE A 60 5.994 2.344 1.919 1.00 0.00 C ATOM 0 H ILE A 60 9.783 1.419 1.162 1.00 0.00 H new ATOM 0 HA ILE A 60 9.760 3.986 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 60 7.440 4.124 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.905 1.357 1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.908 2.824 2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.591 2.177 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.966 2.952 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.205 1.432 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.669 1.775 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.613 3.363 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.609 1.873 1.014 1.00 0.00 H new