USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 6 LYS NZ :NH3+ 165:sc= 0.0964 (180deg=0) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.0318 X(o=0.065,f=-0.4) USER MOD Set 2.1: A 1 MET CE :methyl 144:sc= -3.79 (180deg=-9.47!) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.128 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 7 THR OG1 : rot -90:sc= -1.66 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00801 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0.0124 (180deg=0.00574) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= -0.098 (180deg=-0.188) USER MOD Single : A 40 GLN : amide:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.58 K(o=-0.58,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.982 K(o=-0.98,f=-7.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= -0.909 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 62 GLN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 75:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 61:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.709 8.405 2.899 1.00 0.00 N ATOM 2 CA MET A 1 -13.320 7.334 1.946 1.00 0.00 C ATOM 3 C MET A 1 -13.988 6.005 2.308 1.00 0.00 C ATOM 4 O MET A 1 -14.867 5.963 3.168 1.00 0.00 O ATOM 5 CB MET A 1 -11.795 7.204 1.964 1.00 0.00 C ATOM 6 CG MET A 1 -11.241 6.704 3.286 1.00 0.00 C ATOM 7 SD MET A 1 -10.400 7.994 4.225 1.00 0.00 S ATOM 8 CE MET A 1 -9.125 7.039 5.042 1.00 0.00 C ATOM 0 H1 MET A 1 -14.122 9.203 2.375 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.409 8.033 3.572 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.868 8.730 3.418 1.00 0.00 H new ATOM 0 HA MET A 1 -13.656 7.596 0.943 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.488 6.523 1.170 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.354 8.175 1.739 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.056 6.297 3.885 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.545 5.886 3.097 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.213 7.632 5.110 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.458 6.770 6.044 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.926 6.133 4.470 1.00 0.00 H new ATOM 20 N GLN A 2 -13.583 4.923 1.641 1.00 0.00 N ATOM 21 CA GLN A 2 -14.167 3.606 1.894 1.00 0.00 C ATOM 22 C GLN A 2 -13.425 2.836 2.995 1.00 0.00 C ATOM 23 O GLN A 2 -13.969 1.889 3.560 1.00 0.00 O ATOM 24 CB GLN A 2 -14.186 2.778 0.605 1.00 0.00 C ATOM 25 CG GLN A 2 -15.574 2.621 0.004 1.00 0.00 C ATOM 26 CD GLN A 2 -16.168 3.943 -0.448 1.00 0.00 C ATOM 27 OE1 GLN A 2 -15.444 4.911 -0.684 1.00 0.00 O ATOM 28 NE2 GLN A 2 -17.492 3.993 -0.574 1.00 0.00 N ATOM 0 H GLN A 2 -12.857 4.933 0.925 1.00 0.00 H new ATOM 0 HA GLN A 2 -15.187 3.772 2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.532 3.249 -0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.774 1.790 0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.523 1.940 -0.846 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.235 2.163 0.740 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.055 3.168 -0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -17.943 4.856 -0.876 1.00 0.00 H new ATOM 37 N ILE A 3 -12.184 3.227 3.295 1.00 0.00 N ATOM 38 CA ILE A 3 -11.408 2.538 4.324 1.00 0.00 C ATOM 39 C ILE A 3 -10.637 3.525 5.199 1.00 0.00 C ATOM 40 O ILE A 3 -10.667 4.730 4.961 1.00 0.00 O ATOM 41 CB ILE A 3 -10.417 1.539 3.696 1.00 0.00 C ATOM 42 CG1 ILE A 3 -9.445 2.264 2.763 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.168 0.450 2.944 1.00 0.00 C ATOM 44 CD1 ILE A 3 -8.124 1.545 2.591 1.00 0.00 C ATOM 0 H ILE A 3 -11.702 4.006 2.846 1.00 0.00 H new ATOM 0 HA ILE A 3 -12.120 1.996 4.946 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.841 1.072 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.913 2.385 1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.257 3.264 3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.455 -0.248 2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.821 -0.084 3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.767 0.901 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.484 2.115 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.634 1.447 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.301 0.554 2.172 1.00 0.00 H new ATOM 56 N PHE A 4 -9.948 3.009 6.216 1.00 0.00 N ATOM 57 CA PHE A 4 -9.177 3.857 7.119 1.00 0.00 C ATOM 58 C PHE A 4 -7.695 3.493 7.074 1.00 0.00 C ATOM 59 O PHE A 4 -7.265 2.526 7.705 1.00 0.00 O ATOM 60 CB PHE A 4 -9.702 3.724 8.549 1.00 0.00 C ATOM 61 CG PHE A 4 -10.904 4.582 8.828 1.00 0.00 C ATOM 62 CD1 PHE A 4 -10.813 5.963 8.773 1.00 0.00 C ATOM 63 CD2 PHE A 4 -12.123 4.005 9.147 1.00 0.00 C ATOM 64 CE1 PHE A 4 -11.917 6.754 9.030 1.00 0.00 C ATOM 65 CE2 PHE A 4 -13.231 4.792 9.405 1.00 0.00 C ATOM 66 CZ PHE A 4 -13.126 6.168 9.347 1.00 0.00 C ATOM 0 H PHE A 4 -9.909 2.013 6.433 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.290 4.891 6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.958 2.681 8.738 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.907 3.989 9.246 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.869 6.427 8.527 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -12.209 2.929 9.195 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -11.834 7.830 8.983 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -14.176 4.331 9.651 1.00 0.00 H new ATOM 0 HZ PHE A 4 -13.989 6.785 9.549 1.00 0.00 H new ATOM 76 N VAL A 5 -6.914 4.272 6.325 1.00 0.00 N ATOM 77 CA VAL A 5 -5.482 4.022 6.206 1.00 0.00 C ATOM 78 C VAL A 5 -4.678 5.062 6.980 1.00 0.00 C ATOM 79 O VAL A 5 -5.034 6.240 7.006 1.00 0.00 O ATOM 80 CB VAL A 5 -5.030 4.033 4.733 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.585 3.575 4.615 1.00 0.00 C ATOM 82 CG2 VAL A 5 -5.945 3.161 3.888 1.00 0.00 C ATOM 0 H VAL A 5 -7.249 5.077 5.795 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.297 3.034 6.627 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.094 5.055 4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.283 3.589 3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.943 4.245 5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.491 2.562 5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.611 3.181 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.916 2.137 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.965 3.540 3.948 1.00 0.00 H new ATOM 92 N LYS A 6 -3.591 4.622 7.613 1.00 0.00 N ATOM 93 CA LYS A 6 -2.744 5.524 8.386 1.00 0.00 C ATOM 94 C LYS A 6 -1.346 5.615 7.778 1.00 0.00 C ATOM 95 O LYS A 6 -0.799 4.618 7.307 1.00 0.00 O ATOM 96 CB LYS A 6 -2.653 5.057 9.841 1.00 0.00 C ATOM 97 CG LYS A 6 -2.285 3.590 9.990 1.00 0.00 C ATOM 98 CD LYS A 6 -3.503 2.737 10.309 1.00 0.00 C ATOM 99 CE LYS A 6 -4.145 3.152 11.624 1.00 0.00 C ATOM 100 NZ LYS A 6 -5.014 2.079 12.182 1.00 0.00 N ATOM 0 H LYS A 6 -3.279 3.651 7.605 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.197 6.515 8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.912 5.663 10.362 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.611 5.234 10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.823 3.235 9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.545 3.479 10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.232 2.826 9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.211 1.688 10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.366 3.400 12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.736 4.055 11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.227 2.288 13.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.901 2.034 11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.522 1.165 12.117 1.00 0.00 H new ATOM 114 N THR A 7 -0.774 6.818 7.787 1.00 0.00 N ATOM 115 CA THR A 7 0.558 7.033 7.231 1.00 0.00 C ATOM 116 C THR A 7 1.621 7.067 8.340 1.00 0.00 C ATOM 117 O THR A 7 1.357 6.627 9.461 1.00 0.00 O ATOM 118 CB THR A 7 0.585 8.313 6.385 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.671 8.977 6.423 1.00 0.00 O ATOM 120 CG2 THR A 7 0.926 8.044 4.930 1.00 0.00 C ATOM 0 H THR A 7 -1.211 7.655 8.172 1.00 0.00 H new ATOM 0 HA THR A 7 0.799 6.194 6.578 1.00 0.00 H new ATOM 0 HB THR A 7 1.363 8.939 6.822 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.237 8.649 5.693 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.931 8.984 4.378 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.911 7.580 4.867 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.181 7.374 4.500 1.00 0.00 H new ATOM 128 N LEU A 8 2.820 7.580 8.039 1.00 0.00 N ATOM 129 CA LEU A 8 3.887 7.650 9.027 1.00 0.00 C ATOM 130 C LEU A 8 3.531 8.658 10.112 1.00 0.00 C ATOM 131 O LEU A 8 3.937 8.519 11.266 1.00 0.00 O ATOM 132 CB LEU A 8 5.241 7.961 8.347 1.00 0.00 C ATOM 133 CG LEU A 8 5.956 9.240 8.798 1.00 0.00 C ATOM 134 CD1 LEU A 8 7.458 9.109 8.597 1.00 0.00 C ATOM 135 CD2 LEU A 8 5.422 10.446 8.039 1.00 0.00 C ATOM 0 H LEU A 8 3.069 7.950 7.121 1.00 0.00 H new ATOM 0 HA LEU A 8 3.996 6.679 9.511 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.910 7.118 8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.076 8.024 7.271 1.00 0.00 H new ATOM 0 HG LEU A 8 5.761 9.387 9.860 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.950 10.026 8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.832 8.269 9.183 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.670 8.938 7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.941 11.345 8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.588 10.306 6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.354 10.552 8.230 1.00 0.00 H new ATOM 147 N THR A 9 2.769 9.681 9.726 1.00 0.00 N ATOM 148 CA THR A 9 2.357 10.720 10.647 1.00 0.00 C ATOM 149 C THR A 9 0.853 10.645 10.912 1.00 0.00 C ATOM 150 O THR A 9 0.426 10.293 12.012 1.00 0.00 O ATOM 151 CB THR A 9 2.729 12.085 10.070 1.00 0.00 C ATOM 152 OG1 THR A 9 2.235 12.210 8.745 1.00 0.00 O ATOM 153 CG2 THR A 9 4.226 12.328 10.036 1.00 0.00 C ATOM 0 H THR A 9 2.427 9.805 8.773 1.00 0.00 H new ATOM 0 HA THR A 9 2.872 10.577 11.597 1.00 0.00 H new ATOM 0 HB THR A 9 2.276 12.823 10.732 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.478 13.089 8.387 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.425 13.314 9.616 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.626 12.278 11.049 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.704 11.567 9.419 1.00 0.00 H new ATOM 161 N GLY A 10 0.052 10.975 9.899 1.00 0.00 N ATOM 162 CA GLY A 10 -1.395 10.929 10.056 1.00 0.00 C ATOM 163 C GLY A 10 -2.141 11.451 8.839 1.00 0.00 C ATOM 164 O GLY A 10 -3.060 12.259 8.972 1.00 0.00 O ATOM 0 H GLY A 10 0.376 11.271 8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.701 9.901 10.250 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.679 11.516 10.929 1.00 0.00 H new ATOM 168 N LYS A 11 -1.752 10.990 7.651 1.00 0.00 N ATOM 169 CA LYS A 11 -2.402 11.422 6.417 1.00 0.00 C ATOM 170 C LYS A 11 -3.653 10.589 6.138 1.00 0.00 C ATOM 171 O LYS A 11 -3.683 9.390 6.414 1.00 0.00 O ATOM 172 CB LYS A 11 -1.431 11.323 5.234 1.00 0.00 C ATOM 173 CG LYS A 11 -1.297 12.617 4.448 1.00 0.00 C ATOM 174 CD LYS A 11 -0.083 13.417 4.895 1.00 0.00 C ATOM 175 CE LYS A 11 -0.120 14.836 4.353 1.00 0.00 C ATOM 176 NZ LYS A 11 1.238 15.330 3.997 1.00 0.00 N ATOM 0 H LYS A 11 -0.994 10.321 7.518 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.701 12.463 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.449 11.029 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.768 10.533 4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.214 12.391 3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.198 13.217 4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.044 13.443 5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.826 12.921 4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.762 14.872 3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.563 15.497 5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.169 16.301 3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.844 15.320 4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.651 14.714 3.268 1.00 0.00 H new ATOM 190 N THR A 12 -4.682 11.230 5.585 1.00 0.00 N ATOM 191 CA THR A 12 -5.927 10.540 5.267 1.00 0.00 C ATOM 192 C THR A 12 -6.017 10.258 3.767 1.00 0.00 C ATOM 193 O THR A 12 -6.034 11.182 2.955 1.00 0.00 O ATOM 194 CB THR A 12 -7.129 11.376 5.722 1.00 0.00 C ATOM 195 OG1 THR A 12 -8.334 10.630 5.626 1.00 0.00 O ATOM 196 CG2 THR A 12 -7.310 12.654 4.927 1.00 0.00 C ATOM 0 H THR A 12 -4.676 12.222 5.349 1.00 0.00 H new ATOM 0 HA THR A 12 -5.939 9.589 5.799 1.00 0.00 H new ATOM 0 HB THR A 12 -6.915 11.641 6.757 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.086 11.184 5.923 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.178 13.196 5.302 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.421 13.276 5.031 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.461 12.410 3.875 1.00 0.00 H new ATOM 204 N ILE A 13 -6.069 8.976 3.402 1.00 0.00 N ATOM 205 CA ILE A 13 -6.151 8.590 1.999 1.00 0.00 C ATOM 206 C ILE A 13 -7.353 7.686 1.738 1.00 0.00 C ATOM 207 O ILE A 13 -7.813 6.978 2.634 1.00 0.00 O ATOM 208 CB ILE A 13 -4.871 7.865 1.542 1.00 0.00 C ATOM 209 CG1 ILE A 13 -4.561 6.693 2.475 1.00 0.00 C ATOM 210 CG2 ILE A 13 -3.700 8.835 1.494 1.00 0.00 C ATOM 211 CD1 ILE A 13 -3.372 5.867 2.032 1.00 0.00 C ATOM 0 H ILE A 13 -6.056 8.194 4.057 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.266 9.511 1.428 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.033 7.473 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.373 7.077 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.438 6.048 2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.803 8.307 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.922 9.639 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.535 9.255 2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.210 5.054 2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.565 5.454 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.484 6.498 1.995 1.00 0.00 H new ATOM 223 N THR A 14 -7.857 7.712 0.505 1.00 0.00 N ATOM 224 CA THR A 14 -9.003 6.892 0.131 1.00 0.00 C ATOM 225 C THR A 14 -8.569 5.716 -0.742 1.00 0.00 C ATOM 226 O THR A 14 -7.720 5.868 -1.621 1.00 0.00 O ATOM 227 CB THR A 14 -10.042 7.736 -0.612 1.00 0.00 C ATOM 228 OG1 THR A 14 -11.158 6.947 -0.980 1.00 0.00 O ATOM 229 CG2 THR A 14 -9.500 8.381 -1.869 1.00 0.00 C ATOM 0 H THR A 14 -7.489 8.292 -0.249 1.00 0.00 H new ATOM 0 HA THR A 14 -9.450 6.500 1.044 1.00 0.00 H new ATOM 0 HB THR A 14 -10.328 8.523 0.086 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.811 7.504 -1.452 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.287 8.964 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.668 9.036 -1.612 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.154 7.608 -2.555 1.00 0.00 H new ATOM 237 N LEU A 15 -9.151 4.544 -0.497 1.00 0.00 N ATOM 238 CA LEU A 15 -8.817 3.351 -1.267 1.00 0.00 C ATOM 239 C LEU A 15 -10.080 2.661 -1.778 1.00 0.00 C ATOM 240 O LEU A 15 -11.105 2.643 -1.098 1.00 0.00 O ATOM 241 CB LEU A 15 -8.001 2.379 -0.412 1.00 0.00 C ATOM 242 CG LEU A 15 -7.091 1.434 -1.198 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.695 2.022 -1.328 1.00 0.00 C ATOM 244 CD2 LEU A 15 -7.034 0.068 -0.529 1.00 0.00 C ATOM 0 H LEU A 15 -9.854 4.396 0.227 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.220 3.658 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.389 2.955 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.688 1.782 0.188 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.507 1.310 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.062 1.335 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.750 2.977 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.271 2.176 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.382 -0.591 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.643 0.175 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.036 -0.359 -0.488 1.00 0.00 H new ATOM 256 N GLU A 16 -10.000 2.092 -2.980 1.00 0.00 N ATOM 257 CA GLU A 16 -11.141 1.402 -3.573 1.00 0.00 C ATOM 258 C GLU A 16 -11.031 -0.108 -3.365 1.00 0.00 C ATOM 259 O GLU A 16 -9.930 -0.659 -3.341 1.00 0.00 O ATOM 260 CB GLU A 16 -11.238 1.718 -5.067 1.00 0.00 C ATOM 261 CG GLU A 16 -10.067 1.189 -5.880 1.00 0.00 C ATOM 262 CD GLU A 16 -10.460 0.050 -6.800 1.00 0.00 C ATOM 263 OE1 GLU A 16 -10.641 -1.081 -6.300 1.00 0.00 O ATOM 264 OE2 GLU A 16 -10.586 0.288 -8.019 1.00 0.00 O ATOM 0 H GLU A 16 -9.160 2.096 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.045 1.755 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.162 1.295 -5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.301 2.798 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.646 2.001 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.284 0.849 -5.202 1.00 0.00 H new ATOM 271 N VAL A 17 -12.175 -0.773 -3.212 1.00 0.00 N ATOM 272 CA VAL A 17 -12.192 -2.216 -3.006 1.00 0.00 C ATOM 273 C VAL A 17 -13.168 -2.899 -3.962 1.00 0.00 C ATOM 274 O VAL A 17 -14.379 -2.878 -3.744 1.00 0.00 O ATOM 275 CB VAL A 17 -12.578 -2.572 -1.559 1.00 0.00 C ATOM 276 CG1 VAL A 17 -12.398 -4.062 -1.307 1.00 0.00 C ATOM 277 CG2 VAL A 17 -11.759 -1.754 -0.572 1.00 0.00 C ATOM 0 H VAL A 17 -13.097 -0.336 -3.227 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.182 -2.574 -3.205 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.630 -2.328 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.676 -4.293 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.033 -4.626 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.356 -4.335 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.045 -2.019 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.699 -1.963 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.945 -0.693 -0.737 1.00 0.00 H new ATOM 287 N GLU A 18 -12.634 -3.508 -5.020 1.00 0.00 N ATOM 288 CA GLU A 18 -13.463 -4.197 -6.001 1.00 0.00 C ATOM 289 C GLU A 18 -13.314 -5.710 -5.859 1.00 0.00 C ATOM 290 O GLU A 18 -12.350 -6.192 -5.262 1.00 0.00 O ATOM 291 CB GLU A 18 -13.083 -3.759 -7.419 1.00 0.00 C ATOM 292 CG GLU A 18 -11.706 -4.229 -7.860 1.00 0.00 C ATOM 293 CD GLU A 18 -10.979 -3.194 -8.697 1.00 0.00 C ATOM 294 OE1 GLU A 18 -11.372 -2.992 -9.864 1.00 0.00 O ATOM 295 OE2 GLU A 18 -10.016 -2.586 -8.183 1.00 0.00 O ATOM 0 H GLU A 18 -11.634 -3.537 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.505 -3.932 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.827 -4.140 -8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.120 -2.671 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.107 -4.466 -6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.807 -5.150 -8.434 1.00 0.00 H new ATOM 302 N PRO A 19 -14.266 -6.486 -6.407 1.00 0.00 N ATOM 303 CA PRO A 19 -14.228 -7.948 -6.334 1.00 0.00 C ATOM 304 C PRO A 19 -12.854 -8.510 -6.696 1.00 0.00 C ATOM 305 O PRO A 19 -12.269 -9.278 -5.934 1.00 0.00 O ATOM 306 CB PRO A 19 -15.274 -8.377 -7.362 1.00 0.00 C ATOM 307 CG PRO A 19 -16.250 -7.253 -7.388 1.00 0.00 C ATOM 308 CD PRO A 19 -15.452 -6.000 -7.140 1.00 0.00 C ATOM 0 HA PRO A 19 -14.426 -8.315 -5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.825 -8.537 -8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.753 -9.313 -7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.763 -7.205 -8.349 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.016 -7.385 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.174 -5.510 -8.073 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.016 -5.274 -6.554 1.00 0.00 H new ATOM 316 N SER A 20 -12.342 -8.119 -7.863 1.00 0.00 N ATOM 317 CA SER A 20 -11.033 -8.582 -8.320 1.00 0.00 C ATOM 318 C SER A 20 -9.906 -7.650 -7.858 1.00 0.00 C ATOM 319 O SER A 20 -8.988 -7.358 -8.626 1.00 0.00 O ATOM 320 CB SER A 20 -11.016 -8.702 -9.847 1.00 0.00 C ATOM 321 OG SER A 20 -11.586 -9.929 -10.268 1.00 0.00 O ATOM 0 H SER A 20 -12.813 -7.484 -8.507 1.00 0.00 H new ATOM 0 HA SER A 20 -10.860 -9.562 -7.876 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.568 -7.871 -10.286 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.990 -8.630 -10.209 1.00 0.00 H new ATOM 0 HG SER A 20 -11.565 -9.981 -11.246 1.00 0.00 H new ATOM 327 N ASP A 21 -9.970 -7.185 -6.610 1.00 0.00 N ATOM 328 CA ASP A 21 -8.939 -6.292 -6.081 1.00 0.00 C ATOM 329 C ASP A 21 -7.617 -7.036 -5.901 1.00 0.00 C ATOM 330 O ASP A 21 -7.400 -7.693 -4.884 1.00 0.00 O ATOM 331 CB ASP A 21 -9.382 -5.684 -4.746 1.00 0.00 C ATOM 332 CG ASP A 21 -9.702 -6.737 -3.701 1.00 0.00 C ATOM 333 OD1 ASP A 21 -9.719 -7.936 -4.050 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.938 -6.361 -2.533 1.00 0.00 O ATOM 0 H ASP A 21 -10.717 -7.409 -5.952 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.792 -5.487 -6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.594 -5.032 -4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.261 -5.061 -4.909 1.00 0.00 H new ATOM 339 N THR A 22 -6.736 -6.929 -6.894 1.00 0.00 N ATOM 340 CA THR A 22 -5.438 -7.595 -6.834 1.00 0.00 C ATOM 341 C THR A 22 -4.420 -6.741 -6.079 1.00 0.00 C ATOM 342 O THR A 22 -4.359 -5.525 -6.266 1.00 0.00 O ATOM 343 CB THR A 22 -4.922 -7.895 -8.245 1.00 0.00 C ATOM 344 OG1 THR A 22 -5.993 -7.951 -9.175 1.00 0.00 O ATOM 345 CG2 THR A 22 -4.159 -9.200 -8.338 1.00 0.00 C ATOM 0 H THR A 22 -6.897 -6.390 -7.745 1.00 0.00 H new ATOM 0 HA THR A 22 -5.569 -8.535 -6.297 1.00 0.00 H new ATOM 0 HB THR A 22 -4.241 -7.078 -8.482 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.640 -8.142 -10.069 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.822 -9.352 -9.363 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.296 -9.165 -7.673 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.810 -10.024 -8.044 1.00 0.00 H new ATOM 353 N ILE A 23 -3.622 -7.383 -5.228 1.00 0.00 N ATOM 354 CA ILE A 23 -2.608 -6.674 -4.452 1.00 0.00 C ATOM 355 C ILE A 23 -1.495 -6.140 -5.354 1.00 0.00 C ATOM 356 O ILE A 23 -1.002 -5.031 -5.152 1.00 0.00 O ATOM 357 CB ILE A 23 -1.990 -7.579 -3.364 1.00 0.00 C ATOM 358 CG1 ILE A 23 -3.088 -8.150 -2.463 1.00 0.00 C ATOM 359 CG2 ILE A 23 -0.972 -6.803 -2.537 1.00 0.00 C ATOM 360 CD1 ILE A 23 -2.826 -9.572 -2.018 1.00 0.00 C ATOM 0 H ILE A 23 -3.658 -8.388 -5.059 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.111 -5.836 -3.969 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.475 -8.406 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.191 -7.516 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.039 -8.114 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.547 -7.457 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.177 -6.439 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.463 -5.957 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.644 -9.911 -1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.753 -10.219 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.892 -9.612 -1.458 1.00 0.00 H new ATOM 372 N GLU A 24 -1.099 -6.936 -6.348 1.00 0.00 N ATOM 373 CA GLU A 24 -0.040 -6.530 -7.272 1.00 0.00 C ATOM 374 C GLU A 24 -0.489 -5.358 -8.144 1.00 0.00 C ATOM 375 O GLU A 24 0.277 -4.425 -8.384 1.00 0.00 O ATOM 376 CB GLU A 24 0.381 -7.706 -8.158 1.00 0.00 C ATOM 377 CG GLU A 24 1.872 -7.745 -8.451 1.00 0.00 C ATOM 378 CD GLU A 24 2.190 -8.428 -9.767 1.00 0.00 C ATOM 379 OE1 GLU A 24 2.042 -7.778 -10.824 1.00 0.00 O ATOM 380 OE2 GLU A 24 2.586 -9.612 -9.740 1.00 0.00 O ATOM 0 H GLU A 24 -1.492 -7.859 -6.533 1.00 0.00 H new ATOM 0 HA GLU A 24 0.815 -6.209 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.090 -8.638 -7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.165 -7.654 -9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.261 -6.727 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.384 -8.266 -7.642 1.00 0.00 H new ATOM 387 N ASN A 25 -1.733 -5.410 -8.621 1.00 0.00 N ATOM 388 CA ASN A 25 -2.270 -4.346 -9.470 1.00 0.00 C ATOM 389 C ASN A 25 -2.328 -3.015 -8.719 1.00 0.00 C ATOM 390 O ASN A 25 -2.059 -1.961 -9.294 1.00 0.00 O ATOM 391 CB ASN A 25 -3.665 -4.715 -9.980 1.00 0.00 C ATOM 392 CG ASN A 25 -3.615 -5.629 -11.190 1.00 0.00 C ATOM 393 OD1 ASN A 25 -3.362 -6.828 -11.063 1.00 0.00 O ATOM 394 ND2 ASN A 25 -3.857 -5.071 -12.375 1.00 0.00 N ATOM 0 H ASN A 25 -2.384 -6.173 -8.435 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.598 -4.233 -10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.223 -5.204 -9.182 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.207 -3.805 -10.237 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.837 -5.641 -13.221 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.063 -4.074 -12.437 1.00 0.00 H new ATOM 401 N VAL A 26 -2.681 -3.066 -7.434 1.00 0.00 N ATOM 402 CA VAL A 26 -2.771 -1.854 -6.622 1.00 0.00 C ATOM 403 C VAL A 26 -1.387 -1.297 -6.268 1.00 0.00 C ATOM 404 O VAL A 26 -1.277 -0.166 -5.797 1.00 0.00 O ATOM 405 CB VAL A 26 -3.563 -2.102 -5.321 1.00 0.00 C ATOM 406 CG1 VAL A 26 -2.863 -3.138 -4.456 1.00 0.00 C ATOM 407 CG2 VAL A 26 -3.759 -0.800 -4.557 1.00 0.00 C ATOM 0 H VAL A 26 -2.908 -3.927 -6.937 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.300 -1.120 -7.230 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.546 -2.491 -5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.437 -3.298 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.784 -4.077 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.865 -2.783 -4.199 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.319 -0.995 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.787 -0.377 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.311 -0.094 -5.177 1.00 0.00 H new ATOM 417 N LYS A 27 -0.331 -2.085 -6.493 1.00 0.00 N ATOM 418 CA LYS A 27 1.028 -1.637 -6.186 1.00 0.00 C ATOM 419 C LYS A 27 1.337 -0.322 -6.899 1.00 0.00 C ATOM 420 O LYS A 27 1.823 0.627 -6.284 1.00 0.00 O ATOM 421 CB LYS A 27 2.052 -2.702 -6.591 1.00 0.00 C ATOM 422 CG LYS A 27 3.490 -2.307 -6.297 1.00 0.00 C ATOM 423 CD LYS A 27 4.472 -3.141 -7.103 1.00 0.00 C ATOM 424 CE LYS A 27 4.451 -4.599 -6.671 1.00 0.00 C ATOM 425 NZ LYS A 27 5.821 -5.177 -6.600 1.00 0.00 N ATOM 0 H LYS A 27 -0.391 -3.026 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 27 1.094 -1.476 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.825 -3.630 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.950 -2.905 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.633 -1.251 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.693 -2.431 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.226 -3.071 -8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.478 -2.739 -6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.971 -4.682 -5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.849 -5.177 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.763 -6.172 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.270 -5.122 -7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.388 -4.642 -5.912 1.00 0.00 H new ATOM 439 N ALA A 28 1.047 -0.267 -8.198 1.00 0.00 N ATOM 440 CA ALA A 28 1.291 0.941 -8.982 1.00 0.00 C ATOM 441 C ALA A 28 0.358 2.075 -8.553 1.00 0.00 C ATOM 442 O ALA A 28 0.710 3.250 -8.659 1.00 0.00 O ATOM 443 CB ALA A 28 1.130 0.658 -10.470 1.00 0.00 C ATOM 0 H ALA A 28 0.645 -1.041 -8.727 1.00 0.00 H new ATOM 0 HA ALA A 28 2.318 1.257 -8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.316 1.571 -11.036 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.843 -0.109 -10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.116 0.309 -10.666 1.00 0.00 H new ATOM 449 N LYS A 29 -0.833 1.721 -8.064 1.00 0.00 N ATOM 450 CA LYS A 29 -1.804 2.720 -7.620 1.00 0.00 C ATOM 451 C LYS A 29 -1.269 3.509 -6.425 1.00 0.00 C ATOM 452 O LYS A 29 -1.555 4.697 -6.282 1.00 0.00 O ATOM 453 CB LYS A 29 -3.135 2.055 -7.251 1.00 0.00 C ATOM 454 CG LYS A 29 -3.889 1.499 -8.449 1.00 0.00 C ATOM 455 CD LYS A 29 -5.100 0.687 -8.017 1.00 0.00 C ATOM 456 CE LYS A 29 -6.380 1.501 -8.117 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.584 0.630 -8.232 1.00 0.00 N ATOM 0 H LYS A 29 -1.146 0.755 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.972 3.411 -8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.945 1.247 -6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.766 2.782 -6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.210 2.319 -9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.222 0.873 -9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.184 -0.203 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.964 0.346 -6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.475 2.138 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.324 2.160 -8.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.442 1.213 -8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.572 0.141 -9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.579 -0.072 -7.465 1.00 0.00 H new ATOM 471 N ILE A 30 -0.489 2.847 -5.568 1.00 0.00 N ATOM 472 CA ILE A 30 0.078 3.508 -4.396 1.00 0.00 C ATOM 473 C ILE A 30 1.053 4.605 -4.820 1.00 0.00 C ATOM 474 O ILE A 30 1.046 5.702 -4.261 1.00 0.00 O ATOM 475 CB ILE A 30 0.808 2.511 -3.469 1.00 0.00 C ATOM 476 CG1 ILE A 30 -0.115 1.346 -3.098 1.00 0.00 C ATOM 477 CG2 ILE A 30 1.305 3.215 -2.213 1.00 0.00 C ATOM 478 CD1 ILE A 30 -1.451 1.783 -2.534 1.00 0.00 C ATOM 0 H ILE A 30 -0.239 1.863 -5.664 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.754 3.945 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 30 1.669 2.112 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.287 0.734 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.389 0.714 -2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.817 2.497 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.996 4.010 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.458 3.642 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.050 0.904 -2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.290 2.369 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.976 2.390 -3.271 1.00 0.00 H new ATOM 490 N GLN A 31 1.885 4.308 -5.818 1.00 0.00 N ATOM 491 CA GLN A 31 2.852 5.283 -6.317 1.00 0.00 C ATOM 492 C GLN A 31 2.137 6.474 -6.957 1.00 0.00 C ATOM 493 O GLN A 31 2.577 7.616 -6.828 1.00 0.00 O ATOM 494 CB GLN A 31 3.799 4.637 -7.332 1.00 0.00 C ATOM 495 CG GLN A 31 4.875 5.580 -7.848 1.00 0.00 C ATOM 496 CD GLN A 31 5.045 5.503 -9.355 1.00 0.00 C ATOM 497 OE1 GLN A 31 4.200 5.986 -10.109 1.00 0.00 O ATOM 498 NE2 GLN A 31 6.140 4.893 -9.806 1.00 0.00 N ATOM 0 H GLN A 31 1.909 3.406 -6.294 1.00 0.00 H new ATOM 0 HA GLN A 31 3.437 5.639 -5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.276 3.772 -6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.216 4.268 -8.176 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.623 6.602 -7.566 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.823 5.342 -7.366 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.816 4.506 -9.148 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.302 4.813 -10.810 1.00 0.00 H new ATOM 507 N ASP A 32 1.026 6.198 -7.645 1.00 0.00 N ATOM 508 CA ASP A 32 0.247 7.249 -8.303 1.00 0.00 C ATOM 509 C ASP A 32 -0.297 8.273 -7.300 1.00 0.00 C ATOM 510 O ASP A 32 -0.686 9.373 -7.691 1.00 0.00 O ATOM 511 CB ASP A 32 -0.913 6.637 -9.095 1.00 0.00 C ATOM 512 CG ASP A 32 -1.452 7.581 -10.151 1.00 0.00 C ATOM 513 OD1 ASP A 32 -2.105 8.579 -9.779 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.222 7.323 -11.352 1.00 0.00 O ATOM 0 H ASP A 32 0.647 5.258 -7.760 1.00 0.00 H new ATOM 0 HA ASP A 32 0.920 7.770 -8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.578 5.716 -9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.716 6.367 -8.409 1.00 0.00 H new ATOM 519 N LYS A 33 -0.340 7.916 -6.013 1.00 0.00 N ATOM 520 CA LYS A 33 -0.856 8.828 -4.995 1.00 0.00 C ATOM 521 C LYS A 33 0.141 9.949 -4.705 1.00 0.00 C ATOM 522 O LYS A 33 -0.072 11.091 -5.113 1.00 0.00 O ATOM 523 CB LYS A 33 -1.178 8.068 -3.704 1.00 0.00 C ATOM 524 CG LYS A 33 -2.459 7.255 -3.779 1.00 0.00 C ATOM 525 CD LYS A 33 -3.004 6.947 -2.393 1.00 0.00 C ATOM 526 CE LYS A 33 -2.012 6.143 -1.566 1.00 0.00 C ATOM 527 NZ LYS A 33 -2.444 4.727 -1.402 1.00 0.00 N ATOM 0 H LYS A 33 -0.027 7.013 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.773 9.273 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.348 7.402 -3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.258 8.781 -2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.207 7.804 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.270 6.323 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.237 7.879 -1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.937 6.391 -2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.033 6.171 -2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.900 6.604 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.768 4.226 -0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.389 4.700 -0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.478 4.264 -2.333 1.00 0.00 H new ATOM 541 N GLU A 34 1.227 9.633 -3.998 1.00 0.00 N ATOM 542 CA GLU A 34 2.229 10.642 -3.670 1.00 0.00 C ATOM 543 C GLU A 34 3.658 10.117 -3.843 1.00 0.00 C ATOM 544 O GLU A 34 4.587 10.639 -3.228 1.00 0.00 O ATOM 545 CB GLU A 34 2.030 11.132 -2.234 1.00 0.00 C ATOM 546 CG GLU A 34 2.453 12.577 -2.020 1.00 0.00 C ATOM 547 CD GLU A 34 3.502 12.726 -0.936 1.00 0.00 C ATOM 548 OE1 GLU A 34 4.646 12.270 -1.150 1.00 0.00 O ATOM 549 OE2 GLU A 34 3.181 13.298 0.127 1.00 0.00 O ATOM 0 H GLU A 34 1.432 8.698 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 34 2.095 11.470 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.979 11.026 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.598 10.492 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.843 12.979 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.578 13.172 -1.757 1.00 0.00 H new ATOM 556 N GLY A 35 3.841 9.090 -4.680 1.00 0.00 N ATOM 557 CA GLY A 35 5.169 8.544 -4.896 1.00 0.00 C ATOM 558 C GLY A 35 5.901 8.273 -3.595 1.00 0.00 C ATOM 559 O GLY A 35 6.667 9.112 -3.125 1.00 0.00 O ATOM 0 H GLY A 35 3.096 8.633 -5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.090 7.618 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.752 9.240 -5.499 1.00 0.00 H new ATOM 563 N ILE A 36 5.659 7.103 -3.010 1.00 0.00 N ATOM 564 CA ILE A 36 6.299 6.734 -1.747 1.00 0.00 C ATOM 565 C ILE A 36 7.742 6.272 -1.969 1.00 0.00 C ATOM 566 O ILE A 36 7.979 5.206 -2.539 1.00 0.00 O ATOM 567 CB ILE A 36 5.521 5.617 -1.020 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.402 4.374 -1.908 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.144 6.118 -0.609 1.00 0.00 C ATOM 570 CD1 ILE A 36 6.039 3.140 -1.308 1.00 0.00 C ATOM 0 H ILE A 36 5.028 6.396 -3.387 1.00 0.00 H new ATOM 0 HA ILE A 36 6.298 7.629 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 36 6.072 5.339 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.348 4.173 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.866 4.580 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.605 5.321 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.252 6.971 0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.587 6.421 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.917 2.299 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.101 3.322 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.559 2.908 -0.357 1.00 0.00 H new ATOM 582 N PRO A 37 8.728 7.076 -1.525 1.00 0.00 N ATOM 583 CA PRO A 37 10.153 6.749 -1.684 1.00 0.00 C ATOM 584 C PRO A 37 10.563 5.445 -0.994 1.00 0.00 C ATOM 585 O PRO A 37 11.316 4.654 -1.563 1.00 0.00 O ATOM 586 CB PRO A 37 10.875 7.936 -1.035 1.00 0.00 C ATOM 587 CG PRO A 37 9.872 9.036 -1.015 1.00 0.00 C ATOM 588 CD PRO A 37 8.540 8.370 -0.843 1.00 0.00 C ATOM 0 HA PRO A 37 10.399 6.594 -2.734 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.211 7.690 -0.028 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.760 8.219 -1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.070 9.731 -0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.905 9.612 -1.940 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.287 8.239 0.209 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.736 8.952 -1.294 1.00 0.00 H new ATOM 596 N PRO A 38 10.097 5.198 0.248 1.00 0.00 N ATOM 597 CA PRO A 38 10.456 3.985 0.986 1.00 0.00 C ATOM 598 C PRO A 38 9.790 2.730 0.428 1.00 0.00 C ATOM 599 O PRO A 38 8.565 2.621 0.409 1.00 0.00 O ATOM 600 CB PRO A 38 9.965 4.269 2.406 1.00 0.00 C ATOM 601 CG PRO A 38 8.863 5.255 2.243 1.00 0.00 C ATOM 602 CD PRO A 38 9.205 6.078 1.030 1.00 0.00 C ATOM 0 HA PRO A 38 11.525 3.781 0.923 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.612 3.359 2.891 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.765 4.671 3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.906 4.750 2.112 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.772 5.886 3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.313 6.348 0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.701 7.009 1.305 1.00 0.00 H new ATOM 610 N ASP A 39 10.612 1.780 -0.022 1.00 0.00 N ATOM 611 CA ASP A 39 10.108 0.523 -0.575 1.00 0.00 C ATOM 612 C ASP A 39 9.457 -0.356 0.499 1.00 0.00 C ATOM 613 O ASP A 39 8.785 -1.334 0.174 1.00 0.00 O ATOM 614 CB ASP A 39 11.236 -0.252 -1.261 1.00 0.00 C ATOM 615 CG ASP A 39 12.334 -0.652 -0.296 1.00 0.00 C ATOM 616 OD1 ASP A 39 12.626 0.134 0.631 1.00 0.00 O ATOM 617 OD2 ASP A 39 12.903 -1.751 -0.464 1.00 0.00 O ATOM 0 H ASP A 39 11.629 1.858 -0.014 1.00 0.00 H new ATOM 0 HA ASP A 39 9.344 0.779 -1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.825 -1.146 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.661 0.359 -2.057 1.00 0.00 H new ATOM 622 N GLN A 40 9.659 -0.019 1.779 1.00 0.00 N ATOM 623 CA GLN A 40 9.085 -0.805 2.870 1.00 0.00 C ATOM 624 C GLN A 40 7.701 -0.292 3.290 1.00 0.00 C ATOM 625 O GLN A 40 7.259 -0.553 4.408 1.00 0.00 O ATOM 626 CB GLN A 40 10.023 -0.797 4.080 1.00 0.00 C ATOM 627 CG GLN A 40 11.344 -1.506 3.832 1.00 0.00 C ATOM 628 CD GLN A 40 12.425 -1.081 4.810 1.00 0.00 C ATOM 629 OE1 GLN A 40 12.893 -1.884 5.619 1.00 0.00 O ATOM 630 NE2 GLN A 40 12.830 0.185 4.744 1.00 0.00 N ATOM 0 H GLN A 40 10.210 0.785 2.079 1.00 0.00 H new ATOM 0 HA GLN A 40 8.965 -1.824 2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.223 0.235 4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.519 -1.270 4.923 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.194 -2.583 3.907 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.678 -1.300 2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.416 0.818 4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.554 0.523 5.378 1.00 0.00 H new ATOM 639 N GLN A 41 7.010 0.423 2.398 1.00 0.00 N ATOM 640 CA GLN A 41 5.679 0.937 2.709 1.00 0.00 C ATOM 641 C GLN A 41 4.625 -0.134 2.437 1.00 0.00 C ATOM 642 O GLN A 41 4.149 -0.274 1.311 1.00 0.00 O ATOM 643 CB GLN A 41 5.379 2.192 1.885 1.00 0.00 C ATOM 644 CG GLN A 41 5.649 3.489 2.630 1.00 0.00 C ATOM 645 CD GLN A 41 4.428 4.003 3.372 1.00 0.00 C ATOM 646 OE1 GLN A 41 4.412 4.048 4.602 1.00 0.00 O ATOM 647 NE2 GLN A 41 3.394 4.392 2.629 1.00 0.00 N ATOM 0 H GLN A 41 7.348 0.656 1.464 1.00 0.00 H new ATOM 0 HA GLN A 41 5.650 1.203 3.766 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.981 2.173 0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.334 2.172 1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.462 3.333 3.340 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.985 4.247 1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.448 4.339 1.612 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.548 4.744 3.077 1.00 0.00 H new ATOM 656 N ARG A 42 4.273 -0.898 3.471 1.00 0.00 N ATOM 657 CA ARG A 42 3.287 -1.964 3.328 1.00 0.00 C ATOM 658 C ARG A 42 2.353 -2.015 4.536 1.00 0.00 C ATOM 659 O ARG A 42 2.521 -1.261 5.494 1.00 0.00 O ATOM 660 CB ARG A 42 3.999 -3.307 3.160 1.00 0.00 C ATOM 661 CG ARG A 42 3.300 -4.261 2.203 1.00 0.00 C ATOM 662 CD ARG A 42 3.000 -5.595 2.870 1.00 0.00 C ATOM 663 NE ARG A 42 4.179 -6.154 3.531 1.00 0.00 N ATOM 664 CZ ARG A 42 4.138 -6.857 4.665 1.00 0.00 C ATOM 665 NH1 ARG A 42 2.979 -7.103 5.266 1.00 0.00 N ATOM 666 NH2 ARG A 42 5.261 -7.321 5.197 1.00 0.00 N ATOM 0 H ARG A 42 4.655 -0.798 4.412 1.00 0.00 H new ATOM 0 HA ARG A 42 2.685 -1.758 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.013 -3.127 2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.086 -3.786 4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.371 -3.811 1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.927 -4.424 1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.202 -5.464 3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.635 -6.300 2.123 1.00 0.00 H new ATOM 0 HE ARG A 42 5.089 -5.997 3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.110 -6.754 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.958 -7.641 6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.155 -7.140 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.231 -7.858 6.063 1.00 0.00 H new ATOM 680 N LEU A 43 1.370 -2.915 4.488 1.00 0.00 N ATOM 681 CA LEU A 43 0.416 -3.065 5.581 1.00 0.00 C ATOM 682 C LEU A 43 0.824 -4.223 6.491 1.00 0.00 C ATOM 683 O LEU A 43 1.663 -5.043 6.121 1.00 0.00 O ATOM 684 CB LEU A 43 -0.994 -3.306 5.031 1.00 0.00 C ATOM 685 CG LEU A 43 -1.671 -2.087 4.401 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.092 -1.094 5.474 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.748 -1.421 3.391 1.00 0.00 C ATOM 0 H LEU A 43 1.216 -3.549 3.704 1.00 0.00 H new ATOM 0 HA LEU A 43 0.415 -2.143 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.944 -4.098 4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.624 -3.672 5.842 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.564 -2.427 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.571 -0.234 5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.793 -1.573 6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.214 -0.763 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.249 -0.557 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.165 -1.097 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.498 -2.131 2.603 1.00 0.00 H new ATOM 699 N ILE A 44 0.230 -4.287 7.682 1.00 0.00 N ATOM 700 CA ILE A 44 0.544 -5.351 8.630 1.00 0.00 C ATOM 701 C ILE A 44 -0.636 -6.305 8.799 1.00 0.00 C ATOM 702 O ILE A 44 -1.427 -6.167 9.732 1.00 0.00 O ATOM 703 CB ILE A 44 0.934 -4.782 10.009 1.00 0.00 C ATOM 704 CG1 ILE A 44 -0.164 -3.859 10.542 1.00 0.00 C ATOM 705 CG2 ILE A 44 2.261 -4.042 9.919 1.00 0.00 C ATOM 706 CD1 ILE A 44 -0.519 -4.116 11.990 1.00 0.00 C ATOM 0 H ILE A 44 -0.467 -3.618 8.010 1.00 0.00 H new ATOM 0 HA ILE A 44 1.393 -5.898 8.220 1.00 0.00 H new ATOM 0 HB ILE A 44 1.048 -5.612 10.706 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.159 -2.824 10.434 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.058 -3.980 9.930 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.524 -3.646 10.900 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.039 -4.729 9.585 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.172 -3.221 9.208 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.303 -3.426 12.300 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.873 -5.141 12.102 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.363 -3.967 12.613 1.00 0.00 H new ATOM 718 N PHE A 45 -0.750 -7.275 7.893 1.00 0.00 N ATOM 719 CA PHE A 45 -1.838 -8.247 7.954 1.00 0.00 C ATOM 720 C PHE A 45 -1.418 -9.587 7.349 1.00 0.00 C ATOM 721 O PHE A 45 -1.144 -9.676 6.152 1.00 0.00 O ATOM 722 CB PHE A 45 -3.072 -7.705 7.227 1.00 0.00 C ATOM 723 CG PHE A 45 -4.326 -7.763 8.051 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.541 -6.849 9.072 1.00 0.00 C ATOM 725 CD2 PHE A 45 -5.288 -8.728 7.807 1.00 0.00 C ATOM 726 CE1 PHE A 45 -5.693 -6.898 9.833 1.00 0.00 C ATOM 727 CE2 PHE A 45 -6.443 -8.782 8.565 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.646 -7.866 9.579 1.00 0.00 C ATOM 0 H PHE A 45 -0.106 -7.408 7.113 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.084 -8.412 9.003 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.887 -6.672 6.934 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.223 -8.274 6.310 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.799 -6.090 9.274 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.135 -9.447 7.016 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.849 -6.181 10.625 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.186 -9.540 8.365 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.548 -7.906 10.172 1.00 0.00 H new ATOM 738 N ALA A 46 -1.373 -10.625 8.181 1.00 0.00 N ATOM 739 CA ALA A 46 -0.990 -11.957 7.724 1.00 0.00 C ATOM 740 C ALA A 46 0.440 -11.983 7.178 1.00 0.00 C ATOM 741 O ALA A 46 0.781 -12.848 6.372 1.00 0.00 O ATOM 742 CB ALA A 46 -1.967 -12.448 6.666 1.00 0.00 C ATOM 0 H ALA A 46 -1.597 -10.569 9.174 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.024 -12.625 8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.672 -13.443 6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.971 -12.490 7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.959 -11.763 5.818 1.00 0.00 H new ATOM 748 N GLY A 47 1.278 -11.039 7.621 1.00 0.00 N ATOM 749 CA GLY A 47 2.657 -10.990 7.160 1.00 0.00 C ATOM 750 C GLY A 47 2.791 -11.188 5.658 1.00 0.00 C ATOM 751 O GLY A 47 3.710 -11.867 5.199 1.00 0.00 O ATOM 0 H GLY A 47 1.024 -10.311 8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.092 -10.029 7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.233 -11.759 7.675 1.00 0.00 H new ATOM 755 N LYS A 48 1.876 -10.598 4.890 1.00 0.00 N ATOM 756 CA LYS A 48 1.907 -10.725 3.437 1.00 0.00 C ATOM 757 C LYS A 48 2.503 -9.473 2.794 1.00 0.00 C ATOM 758 O LYS A 48 2.165 -8.351 3.170 1.00 0.00 O ATOM 759 CB LYS A 48 0.497 -10.975 2.895 1.00 0.00 C ATOM 760 CG LYS A 48 0.311 -12.365 2.309 1.00 0.00 C ATOM 761 CD LYS A 48 0.603 -13.447 3.337 1.00 0.00 C ATOM 762 CE LYS A 48 1.372 -14.606 2.723 1.00 0.00 C ATOM 763 NZ LYS A 48 2.843 -14.452 2.898 1.00 0.00 N ATOM 0 H LYS A 48 1.108 -10.030 5.249 1.00 0.00 H new ATOM 0 HA LYS A 48 2.539 -11.576 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.224 -10.829 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.274 -10.233 2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.711 -12.474 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.970 -12.490 1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.178 -13.023 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.334 -13.813 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.048 -15.540 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.138 -14.674 1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.331 -15.262 2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.157 -13.573 2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.070 -14.412 3.912 1.00 0.00 H new ATOM 777 N GLN A 49 3.391 -9.670 1.819 1.00 0.00 N ATOM 778 CA GLN A 49 4.025 -8.549 1.131 1.00 0.00 C ATOM 779 C GLN A 49 3.085 -7.951 0.087 1.00 0.00 C ATOM 780 O GLN A 49 2.073 -8.555 -0.265 1.00 0.00 O ATOM 781 CB GLN A 49 5.334 -8.993 0.467 1.00 0.00 C ATOM 782 CG GLN A 49 6.539 -8.172 0.894 1.00 0.00 C ATOM 783 CD GLN A 49 6.821 -7.017 -0.050 1.00 0.00 C ATOM 784 OE1 GLN A 49 6.477 -7.070 -1.230 1.00 0.00 O ATOM 785 NE2 GLN A 49 7.451 -5.962 0.464 1.00 0.00 N ATOM 0 H GLN A 49 3.685 -10.590 1.491 1.00 0.00 H new ATOM 0 HA GLN A 49 4.251 -7.784 1.873 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.516 -10.041 0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.224 -8.926 -0.615 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.372 -7.783 1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.415 -8.818 0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.719 -5.958 1.448 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.665 -5.158 -0.126 1.00 0.00 H new ATOM 794 N LEU A 50 3.422 -6.759 -0.403 1.00 0.00 N ATOM 795 CA LEU A 50 2.598 -6.085 -1.406 1.00 0.00 C ATOM 796 C LEU A 50 2.838 -6.650 -2.811 1.00 0.00 C ATOM 797 O LEU A 50 2.021 -6.447 -3.709 1.00 0.00 O ATOM 798 CB LEU A 50 2.873 -4.578 -1.400 1.00 0.00 C ATOM 799 CG LEU A 50 4.315 -4.180 -1.735 1.00 0.00 C ATOM 800 CD1 LEU A 50 4.397 -3.592 -3.135 1.00 0.00 C ATOM 801 CD2 LEU A 50 4.850 -3.192 -0.708 1.00 0.00 C ATOM 0 H LEU A 50 4.256 -6.242 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 50 1.555 -6.264 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.205 -4.099 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.622 -4.182 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 50 4.934 -5.077 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.428 -3.316 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.058 -4.331 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.764 -2.707 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.875 -2.921 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.228 -2.297 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.831 -3.649 0.281 1.00 0.00 H new ATOM 813 N GLU A 51 3.957 -7.351 -3.005 1.00 0.00 N ATOM 814 CA GLU A 51 4.278 -7.924 -4.313 1.00 0.00 C ATOM 815 C GLU A 51 3.497 -9.215 -4.575 1.00 0.00 C ATOM 816 O GLU A 51 3.250 -9.568 -5.728 1.00 0.00 O ATOM 817 CB GLU A 51 5.780 -8.197 -4.426 1.00 0.00 C ATOM 818 CG GLU A 51 6.278 -9.266 -3.466 1.00 0.00 C ATOM 819 CD GLU A 51 7.229 -10.246 -4.126 1.00 0.00 C ATOM 820 OE1 GLU A 51 6.785 -10.989 -5.026 1.00 0.00 O ATOM 821 OE2 GLU A 51 8.418 -10.270 -3.743 1.00 0.00 O ATOM 0 H GLU A 51 4.650 -7.534 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 51 3.985 -7.193 -5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.010 -8.502 -5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.324 -7.271 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.781 -8.788 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.425 -9.810 -3.060 1.00 0.00 H new ATOM 828 N ASP A 52 3.108 -9.920 -3.509 1.00 0.00 N ATOM 829 CA ASP A 52 2.362 -11.161 -3.642 1.00 0.00 C ATOM 830 C ASP A 52 1.207 -10.989 -4.614 1.00 0.00 C ATOM 831 O ASP A 52 0.278 -10.222 -4.360 1.00 0.00 O ATOM 832 CB ASP A 52 1.834 -11.628 -2.281 1.00 0.00 C ATOM 833 CG ASP A 52 0.840 -10.655 -1.676 1.00 0.00 C ATOM 834 OD1 ASP A 52 0.810 -9.486 -2.116 1.00 0.00 O ATOM 835 OD2 ASP A 52 0.092 -11.062 -0.763 1.00 0.00 O ATOM 0 H ASP A 52 3.301 -9.647 -2.545 1.00 0.00 H new ATOM 0 HA ASP A 52 3.040 -11.920 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.360 -12.603 -2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.672 -11.759 -1.596 1.00 0.00 H new ATOM 840 N GLY A 53 1.262 -11.705 -5.724 1.00 0.00 N ATOM 841 CA GLY A 53 0.204 -11.614 -6.712 1.00 0.00 C ATOM 842 C GLY A 53 -1.092 -12.255 -6.240 1.00 0.00 C ATOM 843 O GLY A 53 -1.716 -13.013 -6.982 1.00 0.00 O ATOM 0 H GLY A 53 2.018 -12.347 -5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.022 -10.566 -6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.530 -12.097 -7.633 1.00 0.00 H new ATOM 847 N ARG A 54 -1.505 -11.952 -5.006 1.00 0.00 N ATOM 848 CA ARG A 54 -2.736 -12.511 -4.459 1.00 0.00 C ATOM 849 C ARG A 54 -3.830 -11.448 -4.389 1.00 0.00 C ATOM 850 O ARG A 54 -3.566 -10.263 -4.597 1.00 0.00 O ATOM 851 CB ARG A 54 -2.482 -13.093 -3.066 1.00 0.00 C ATOM 852 CG ARG A 54 -2.323 -14.604 -3.059 1.00 0.00 C ATOM 853 CD ARG A 54 -1.085 -15.038 -3.830 1.00 0.00 C ATOM 854 NE ARG A 54 0.142 -14.867 -3.052 1.00 0.00 N ATOM 855 CZ ARG A 54 1.357 -14.777 -3.592 1.00 0.00 C ATOM 856 NH1 ARG A 54 1.511 -14.844 -4.909 1.00 0.00 N ATOM 857 NH2 ARG A 54 2.420 -14.621 -2.814 1.00 0.00 N ATOM 0 H ARG A 54 -1.006 -11.326 -4.373 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.071 -13.309 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.582 -12.639 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.309 -12.820 -2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.256 -14.959 -2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.207 -15.066 -3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.187 -16.084 -4.118 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.012 -14.460 -4.751 1.00 0.00 H new ATOM 0 HE ARG A 54 0.063 -14.814 -2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.697 -14.965 -5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.443 -14.775 -5.318 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.308 -14.570 -1.801 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.350 -14.552 -3.228 1.00 0.00 H new ATOM 871 N THR A 55 -5.057 -11.872 -4.094 1.00 0.00 N ATOM 872 CA THR A 55 -6.178 -10.947 -3.996 1.00 0.00 C ATOM 873 C THR A 55 -6.465 -10.598 -2.538 1.00 0.00 C ATOM 874 O THR A 55 -6.445 -11.470 -1.670 1.00 0.00 O ATOM 875 CB THR A 55 -7.425 -11.547 -4.646 1.00 0.00 C ATOM 876 OG1 THR A 55 -7.152 -11.953 -5.976 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.597 -10.589 -4.691 1.00 0.00 C ATOM 0 H THR A 55 -5.297 -12.848 -3.920 1.00 0.00 H new ATOM 0 HA THR A 55 -5.910 -10.033 -4.526 1.00 0.00 H new ATOM 0 HB THR A 55 -7.695 -12.398 -4.020 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.962 -12.336 -6.374 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.449 -11.078 -5.164 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.865 -10.295 -3.676 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.322 -9.704 -5.265 1.00 0.00 H new ATOM 885 N LEU A 56 -6.733 -9.320 -2.274 1.00 0.00 N ATOM 886 CA LEU A 56 -7.024 -8.868 -0.915 1.00 0.00 C ATOM 887 C LEU A 56 -8.129 -9.716 -0.283 1.00 0.00 C ATOM 888 O LEU A 56 -8.038 -10.101 0.882 1.00 0.00 O ATOM 889 CB LEU A 56 -7.436 -7.391 -0.917 1.00 0.00 C ATOM 890 CG LEU A 56 -6.275 -6.395 -0.860 1.00 0.00 C ATOM 891 CD1 LEU A 56 -5.967 -5.852 -2.247 1.00 0.00 C ATOM 892 CD2 LEU A 56 -6.591 -5.259 0.101 1.00 0.00 C ATOM 0 H LEU A 56 -6.755 -8.583 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.117 -8.982 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.020 -7.194 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.091 -7.211 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.392 -6.919 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.139 -5.146 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.694 -6.675 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.847 -5.346 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.754 -4.562 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.487 -4.737 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.759 -5.663 1.099 1.00 0.00 H new ATOM 904 N SER A 57 -9.172 -10.006 -1.060 1.00 0.00 N ATOM 905 CA SER A 57 -10.289 -10.811 -0.570 1.00 0.00 C ATOM 906 C SER A 57 -9.817 -12.178 -0.068 1.00 0.00 C ATOM 907 O SER A 57 -10.415 -12.746 0.847 1.00 0.00 O ATOM 908 CB SER A 57 -11.340 -10.998 -1.669 1.00 0.00 C ATOM 909 OG SER A 57 -12.235 -12.048 -1.347 1.00 0.00 O ATOM 0 H SER A 57 -9.266 -9.697 -2.027 1.00 0.00 H new ATOM 0 HA SER A 57 -10.736 -10.275 0.267 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.897 -10.071 -1.805 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.846 -11.215 -2.616 1.00 0.00 H new ATOM 0 HG SER A 57 -12.896 -12.145 -2.064 1.00 0.00 H new ATOM 915 N ASP A 58 -8.749 -12.709 -0.669 1.00 0.00 N ATOM 916 CA ASP A 58 -8.223 -14.015 -0.266 1.00 0.00 C ATOM 917 C ASP A 58 -7.939 -14.063 1.236 1.00 0.00 C ATOM 918 O ASP A 58 -8.114 -15.104 1.871 1.00 0.00 O ATOM 919 CB ASP A 58 -6.948 -14.353 -1.045 1.00 0.00 C ATOM 920 CG ASP A 58 -7.153 -14.296 -2.546 1.00 0.00 C ATOM 921 OD1 ASP A 58 -8.317 -14.379 -2.991 1.00 0.00 O ATOM 922 OD2 ASP A 58 -6.148 -14.167 -3.277 1.00 0.00 O ATOM 0 H ASP A 58 -8.237 -12.260 -1.428 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.987 -14.757 -0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.158 -13.657 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.609 -15.350 -0.765 1.00 0.00 H new ATOM 927 N TYR A 59 -7.497 -12.940 1.805 1.00 0.00 N ATOM 928 CA TYR A 59 -7.195 -12.882 3.232 1.00 0.00 C ATOM 929 C TYR A 59 -8.301 -12.163 4.008 1.00 0.00 C ATOM 930 O TYR A 59 -8.026 -11.448 4.971 1.00 0.00 O ATOM 931 CB TYR A 59 -5.855 -12.178 3.459 1.00 0.00 C ATOM 932 CG TYR A 59 -4.656 -13.068 3.218 1.00 0.00 C ATOM 933 CD1 TYR A 59 -4.262 -14.006 4.163 1.00 0.00 C ATOM 934 CD2 TYR A 59 -3.919 -12.972 2.043 1.00 0.00 C ATOM 935 CE1 TYR A 59 -3.168 -14.822 3.946 1.00 0.00 C ATOM 936 CE2 TYR A 59 -2.825 -13.785 1.819 1.00 0.00 C ATOM 937 CZ TYR A 59 -2.454 -14.707 2.773 1.00 0.00 C ATOM 938 OH TYR A 59 -1.364 -15.518 2.554 1.00 0.00 O ATOM 0 H TYR A 59 -7.342 -12.066 1.302 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.133 -13.905 3.602 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.793 -11.312 2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.819 -11.803 4.482 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.820 -14.099 5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.207 -12.250 1.293 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.874 -15.546 4.692 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.263 -13.698 0.901 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.119 -15.488 1.606 1.00 0.00 H new ATOM 948 N ASN A 60 -9.552 -12.359 3.589 1.00 0.00 N ATOM 949 CA ASN A 60 -10.691 -11.731 4.254 1.00 0.00 C ATOM 950 C ASN A 60 -10.575 -10.203 4.268 1.00 0.00 C ATOM 951 O ASN A 60 -11.179 -9.543 5.113 1.00 0.00 O ATOM 952 CB ASN A 60 -10.817 -12.253 5.686 1.00 0.00 C ATOM 953 CG ASN A 60 -12.263 -12.450 6.106 1.00 0.00 C ATOM 954 OD1 ASN A 60 -13.142 -11.687 5.707 1.00 0.00 O ATOM 955 ND2 ASN A 60 -12.519 -13.476 6.916 1.00 0.00 N ATOM 0 H ASN A 60 -9.800 -12.947 2.793 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.585 -11.992 3.687 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.284 -13.200 5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.336 -11.553 6.369 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.474 -13.653 7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.760 -14.085 7.223 1.00 0.00 H new ATOM 962 N ILE A 61 -9.809 -9.638 3.332 1.00 0.00 N ATOM 963 CA ILE A 61 -9.647 -8.190 3.261 1.00 0.00 C ATOM 964 C ILE A 61 -10.715 -7.564 2.367 1.00 0.00 C ATOM 965 O ILE A 61 -10.443 -7.207 1.220 1.00 0.00 O ATOM 966 CB ILE A 61 -8.252 -7.799 2.735 1.00 0.00 C ATOM 967 CG1 ILE A 61 -7.164 -8.565 3.490 1.00 0.00 C ATOM 968 CG2 ILE A 61 -8.040 -6.297 2.866 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.761 -8.237 3.027 1.00 0.00 C ATOM 0 H ILE A 61 -9.297 -10.158 2.620 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.756 -7.810 4.277 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.189 -8.065 1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.248 -8.344 4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.336 -9.635 3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.051 -6.035 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.799 -5.771 2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.119 -6.009 3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.042 -8.817 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.659 -8.484 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.570 -7.174 3.171 1.00 0.00 H new ATOM 981 N GLN A 62 -11.933 -7.437 2.891 1.00 0.00 N ATOM 982 CA GLN A 62 -13.033 -6.859 2.127 1.00 0.00 C ATOM 983 C GLN A 62 -13.181 -5.367 2.418 1.00 0.00 C ATOM 984 O GLN A 62 -12.516 -4.830 3.305 1.00 0.00 O ATOM 985 CB GLN A 62 -14.342 -7.584 2.443 1.00 0.00 C ATOM 986 CG GLN A 62 -14.223 -9.099 2.404 1.00 0.00 C ATOM 987 CD GLN A 62 -15.366 -9.758 1.652 1.00 0.00 C ATOM 988 OE1 GLN A 62 -16.092 -10.583 2.206 1.00 0.00 O ATOM 989 NE2 GLN A 62 -15.535 -9.397 0.381 1.00 0.00 N ATOM 0 H GLN A 62 -12.181 -7.726 3.837 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.805 -6.982 1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -14.686 -7.280 3.432 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -15.103 -7.269 1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.279 -9.373 1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.195 -9.483 3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.911 -8.709 -0.041 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -16.288 -9.808 -0.170 1.00 0.00 H new ATOM 998 N LYS A 63 -14.056 -4.700 1.663 1.00 0.00 N ATOM 999 CA LYS A 63 -14.287 -3.266 1.842 1.00 0.00 C ATOM 1000 C LYS A 63 -14.549 -2.927 3.309 1.00 0.00 C ATOM 1001 O LYS A 63 -15.098 -3.739 4.053 1.00 0.00 O ATOM 1002 CB LYS A 63 -15.466 -2.795 0.983 1.00 0.00 C ATOM 1003 CG LYS A 63 -16.714 -3.651 1.141 1.00 0.00 C ATOM 1004 CD LYS A 63 -17.158 -4.245 -0.188 1.00 0.00 C ATOM 1005 CE LYS A 63 -17.590 -5.695 -0.033 1.00 0.00 C ATOM 1006 NZ LYS A 63 -17.835 -6.343 -1.351 1.00 0.00 N ATOM 0 H LYS A 63 -14.614 -5.128 0.925 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.384 -2.746 1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.707 -1.765 1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.165 -2.796 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.518 -4.454 1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.520 -3.047 1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.984 -3.659 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.341 -4.182 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.821 -6.248 0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.497 -5.742 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.128 -7.330 -1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.587 -5.831 -1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.962 -6.321 -1.916 1.00 0.00 H new ATOM 1020 N GLU A 64 -14.151 -1.722 3.719 1.00 0.00 N ATOM 1021 CA GLU A 64 -14.343 -1.279 5.097 1.00 0.00 C ATOM 1022 C GLU A 64 -13.557 -2.151 6.080 1.00 0.00 C ATOM 1023 O GLU A 64 -13.892 -2.214 7.263 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.830 -1.301 5.458 1.00 0.00 C ATOM 1025 CG GLU A 64 -16.165 -0.502 6.707 1.00 0.00 C ATOM 1026 CD GLU A 64 -16.596 0.917 6.394 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -17.506 1.089 5.556 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -16.023 1.855 6.985 1.00 0.00 O ATOM 0 H GLU A 64 -13.695 -1.037 3.116 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.967 -0.259 5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.405 -0.907 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.145 -2.334 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.961 -1.007 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.294 -0.477 7.362 1.00 0.00 H new ATOM 1035 N SER A 65 -12.508 -2.820 5.595 1.00 0.00 N ATOM 1036 CA SER A 65 -11.690 -3.674 6.452 1.00 0.00 C ATOM 1037 C SER A 65 -10.771 -2.836 7.337 1.00 0.00 C ATOM 1038 O SER A 65 -10.745 -1.610 7.233 1.00 0.00 O ATOM 1039 CB SER A 65 -10.859 -4.646 5.609 1.00 0.00 C ATOM 1040 OG SER A 65 -11.531 -5.883 5.444 1.00 0.00 O ATOM 0 H SER A 65 -12.209 -2.786 4.621 1.00 0.00 H new ATOM 0 HA SER A 65 -12.361 -4.247 7.092 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.658 -4.205 4.633 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.894 -4.814 6.088 1.00 0.00 H new ATOM 0 HG SER A 65 -12.258 -5.777 4.795 1.00 0.00 H new ATOM 1046 N THR A 66 -10.010 -3.503 8.204 1.00 0.00 N ATOM 1047 CA THR A 66 -9.086 -2.812 9.097 1.00 0.00 C ATOM 1048 C THR A 66 -7.642 -3.026 8.648 1.00 0.00 C ATOM 1049 O THR A 66 -6.967 -3.946 9.111 1.00 0.00 O ATOM 1050 CB THR A 66 -9.272 -3.294 10.541 1.00 0.00 C ATOM 1051 OG1 THR A 66 -8.653 -4.557 10.744 1.00 0.00 O ATOM 1052 CG2 THR A 66 -10.726 -3.420 10.949 1.00 0.00 C ATOM 0 H THR A 66 -10.016 -4.518 8.306 1.00 0.00 H new ATOM 0 HA THR A 66 -9.305 -1.745 9.056 1.00 0.00 H new ATOM 0 HB THR A 66 -8.803 -2.528 11.158 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.691 -4.481 10.573 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.786 -3.765 11.981 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.214 -2.449 10.862 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.226 -4.137 10.297 1.00 0.00 H new ATOM 1060 N LEU A 67 -7.172 -2.175 7.738 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.809 -2.283 7.228 1.00 0.00 C ATOM 1062 C LEU A 67 -4.878 -1.298 7.931 1.00 0.00 C ATOM 1063 O LEU A 67 -5.112 -0.090 7.913 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.785 -2.034 5.718 1.00 0.00 C ATOM 1065 CG LEU A 67 -6.537 -3.069 4.879 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -7.072 -2.435 3.604 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -5.632 -4.246 4.552 1.00 0.00 C ATOM 0 H LEU A 67 -7.713 -1.407 7.341 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.455 -3.294 7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.211 -1.050 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.747 -2.005 5.386 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.383 -3.436 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.604 -3.186 3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.754 -1.624 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.242 -2.040 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.182 -4.973 3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.767 -3.895 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.297 -4.715 5.477 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.819 -1.821 8.549 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.856 -0.983 9.252 1.00 0.00 C ATOM 1081 C HIS A 68 -1.546 -0.889 8.471 1.00 0.00 C ATOM 1082 O HIS A 68 -1.088 -1.876 7.895 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.591 -1.539 10.653 1.00 0.00 C ATOM 1084 CG HIS A 68 -3.786 -1.484 11.554 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -3.808 -0.765 12.731 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -5.004 -2.064 11.447 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -4.988 -0.907 13.309 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -5.732 -1.690 12.550 1.00 0.00 N ATOM 0 H HIS A 68 -3.609 -2.819 8.575 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.278 0.018 9.341 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.258 -2.573 10.568 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.776 -0.978 11.110 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.341 -2.702 10.644 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.292 -0.459 14.243 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.692 -1.972 12.750 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.946 0.301 8.454 1.00 0.00 N ATOM 1098 CA LEU A 69 0.309 0.510 7.738 1.00 0.00 C ATOM 1099 C LEU A 69 1.507 0.332 8.672 1.00 0.00 C ATOM 1100 O LEU A 69 1.346 -0.051 9.831 1.00 0.00 O ATOM 1101 CB LEU A 69 0.336 1.908 7.110 1.00 0.00 C ATOM 1102 CG LEU A 69 0.744 1.949 5.636 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -0.474 1.787 4.740 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.471 3.247 5.322 1.00 0.00 C ATOM 0 H LEU A 69 -1.308 1.130 8.926 1.00 0.00 H new ATOM 0 HA LEU A 69 0.376 -0.237 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.654 2.353 7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.025 2.532 7.679 1.00 0.00 H new ATOM 0 HG LEU A 69 1.423 1.119 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.164 1.819 3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.954 0.830 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.179 2.596 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.754 3.260 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.815 4.092 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.366 3.321 5.940 1.00 0.00 H new ATOM 1116 N VAL A 70 2.707 0.610 8.163 1.00 0.00 N ATOM 1117 CA VAL A 70 3.920 0.475 8.959 1.00 0.00 C ATOM 1118 C VAL A 70 4.434 1.841 9.412 1.00 0.00 C ATOM 1119 O VAL A 70 4.417 2.804 8.647 1.00 0.00 O ATOM 1120 CB VAL A 70 5.031 -0.252 8.172 1.00 0.00 C ATOM 1121 CG1 VAL A 70 5.411 0.534 6.926 1.00 0.00 C ATOM 1122 CG2 VAL A 70 6.247 -0.487 9.055 1.00 0.00 C ATOM 0 H VAL A 70 2.862 0.929 7.207 1.00 0.00 H new ATOM 0 HA VAL A 70 3.662 -0.120 9.835 1.00 0.00 H new ATOM 0 HB VAL A 70 4.647 -1.222 7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.196 0.004 6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.537 0.642 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.773 1.521 7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.019 -1.001 8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.632 0.470 9.406 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.962 -1.099 9.911 1.00 0.00 H new ATOM 1132 N LEU A 71 4.888 1.918 10.662 1.00 0.00 N ATOM 1133 CA LEU A 71 5.404 3.170 11.210 1.00 0.00 C ATOM 1134 C LEU A 71 6.890 3.331 10.898 1.00 0.00 C ATOM 1135 O LEU A 71 7.740 2.727 11.553 1.00 0.00 O ATOM 1136 CB LEU A 71 5.173 3.239 12.724 1.00 0.00 C ATOM 1137 CG LEU A 71 5.722 2.055 13.528 1.00 0.00 C ATOM 1138 CD1 LEU A 71 6.386 2.539 14.808 1.00 0.00 C ATOM 1139 CD2 LEU A 71 4.609 1.066 13.849 1.00 0.00 C ATOM 0 H LEU A 71 4.909 1.132 11.311 1.00 0.00 H new ATOM 0 HA LEU A 71 4.861 3.988 10.737 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.627 4.155 13.102 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.101 3.315 12.908 1.00 0.00 H new ATOM 0 HG LEU A 71 6.472 1.548 12.921 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.769 1.684 15.365 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.209 3.209 14.560 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.656 3.071 15.418 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.017 0.232 14.420 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.837 1.564 14.436 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.175 0.693 12.921 1.00 0.00 H new ATOM 1151 N ARG A 72 7.198 4.149 9.892 1.00 0.00 N ATOM 1152 CA ARG A 72 8.583 4.385 9.497 1.00 0.00 C ATOM 1153 C ARG A 72 9.149 5.614 10.205 1.00 0.00 C ATOM 1154 O ARG A 72 9.115 6.720 9.665 1.00 0.00 O ATOM 1155 CB ARG A 72 8.681 4.567 7.981 1.00 0.00 C ATOM 1156 CG ARG A 72 10.099 4.796 7.485 1.00 0.00 C ATOM 1157 CD ARG A 72 10.127 5.118 6.000 1.00 0.00 C ATOM 1158 NE ARG A 72 9.437 6.371 5.696 1.00 0.00 N ATOM 1159 CZ ARG A 72 8.131 6.460 5.445 1.00 0.00 C ATOM 1160 NH1 ARG A 72 7.365 5.375 5.466 1.00 0.00 N ATOM 1161 NH2 ARG A 72 7.587 7.640 5.176 1.00 0.00 N ATOM 0 H ARG A 72 6.508 4.657 9.338 1.00 0.00 H new ATOM 0 HA ARG A 72 9.170 3.515 9.790 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.272 3.684 7.490 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.060 5.413 7.684 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.553 5.614 8.044 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.700 3.907 7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.162 5.183 5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.661 4.304 5.444 1.00 0.00 H new ATOM 0 HE ARG A 72 9.989 7.229 5.675 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.775 4.465 5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.366 5.452 5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.168 8.478 5.161 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.588 7.709 4.984 1.00 0.00 H new ATOM 1175 N LEU A 73 9.672 5.418 11.414 1.00 0.00 N ATOM 1176 CA LEU A 73 10.244 6.519 12.182 1.00 0.00 C ATOM 1177 C LEU A 73 11.662 6.844 11.707 1.00 0.00 C ATOM 1178 O LEU A 73 12.059 8.009 11.676 1.00 0.00 O ATOM 1179 CB LEU A 73 10.257 6.189 13.678 1.00 0.00 C ATOM 1180 CG LEU A 73 11.178 5.035 14.084 1.00 0.00 C ATOM 1181 CD1 LEU A 73 12.582 5.548 14.366 1.00 0.00 C ATOM 1182 CD2 LEU A 73 10.618 4.312 15.299 1.00 0.00 C ATOM 0 H LEU A 73 9.711 4.511 11.880 1.00 0.00 H new ATOM 0 HA LEU A 73 9.616 7.395 12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.556 7.082 14.228 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.241 5.948 13.989 1.00 0.00 H new ATOM 0 HG LEU A 73 11.232 4.327 13.257 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.223 4.715 14.653 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.983 6.022 13.470 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.548 6.275 15.177 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.284 3.495 15.575 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.536 5.010 16.132 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.632 3.912 15.062 1.00 0.00 H new ATOM 1194 N ARG A 74 12.423 5.812 11.336 1.00 0.00 N ATOM 1195 CA ARG A 74 13.790 6.008 10.865 1.00 0.00 C ATOM 1196 C ARG A 74 13.822 6.207 9.350 1.00 0.00 C ATOM 1197 O ARG A 74 14.247 5.322 8.608 1.00 0.00 O ATOM 1198 CB ARG A 74 14.670 4.817 11.255 1.00 0.00 C ATOM 1199 CG ARG A 74 14.196 3.493 10.674 1.00 0.00 C ATOM 1200 CD ARG A 74 15.345 2.709 10.054 1.00 0.00 C ATOM 1201 NE ARG A 74 16.352 2.326 11.044 1.00 0.00 N ATOM 1202 CZ ARG A 74 17.212 1.321 10.874 1.00 0.00 C ATOM 1203 NH1 ARG A 74 17.196 0.605 9.757 1.00 0.00 N ATOM 1204 NH2 ARG A 74 18.094 1.035 11.823 1.00 0.00 N ATOM 0 H ARG A 74 12.116 4.839 11.353 1.00 0.00 H new ATOM 0 HA ARG A 74 14.182 6.907 11.341 1.00 0.00 H new ATOM 0 HB2 ARG A 74 15.691 5.006 10.922 1.00 0.00 H new ATOM 0 HB3 ARG A 74 14.699 4.738 12.342 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.730 2.897 11.459 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.432 3.679 9.919 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.953 1.813 9.572 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.814 3.310 9.275 1.00 0.00 H new ATOM 0 HE ARG A 74 16.399 2.858 11.913 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.523 0.822 9.022 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.857 -0.162 9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.114 1.584 12.683 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.752 0.266 11.693 1.00 0.00 H new ATOM 1218 N GLY A 75 13.371 7.376 8.895 1.00 0.00 N ATOM 1219 CA GLY A 75 13.361 7.662 7.473 1.00 0.00 C ATOM 1220 C GLY A 75 14.043 8.976 7.140 1.00 0.00 C ATOM 1221 O GLY A 75 13.475 9.816 6.441 1.00 0.00 O ATOM 0 H GLY A 75 13.014 8.126 9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.859 6.852 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.331 7.691 7.119 1.00 0.00 H new ATOM 1225 N GLY A 76 15.266 9.159 7.641 1.00 0.00 N ATOM 1226 CA GLY A 76 15.997 10.385 7.377 1.00 0.00 C ATOM 1227 C GLY A 76 17.238 10.150 6.539 1.00 0.00 C ATOM 1228 O GLY A 76 18.153 10.998 6.584 1.00 0.00 O ATOM 1229 OXT GLY A 76 17.296 9.118 5.839 1.00 0.00 O ATOM 0 H GLY A 76 15.759 8.481 8.222 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.344 11.091 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.283 10.845 8.323 1.00 0.00 H new TER 1233 GLY A 76