USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= 0.797 K(o=0.8,f=-4.7!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot -85:sc= 0.204 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0.194 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.895 K(o=0.9,f=-3.2!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.3 USER MOD Set 4.2: A 21 THR OG1 : rot -74:sc= 0.312 USER MOD Single : A 1 MET CE :methyl -133:sc= -0.015 (180deg=-0.119) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0427 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.632 F(o=-1.1,f=-0.63) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 35 ASN : amide:sc= -0.0695 K(o=-0.07,f=-1.6) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0415 (180deg=-0.421) USER MOD Single : A 43 HIS : no HE2:sc= -2.16 K(o=-2.2,f=-3.8!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -128:sc=-0.000304 (180deg=-0.226) USER MOD Single : C 1 MET N :NH3+ 135:sc= 0.0104 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 21:sc= 0.0497 USER MOD Single : C 28 GLN : amide:sc= -0.664 X(o=-0.66,f=-0.32) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : C 35 ASN : amide:sc= -0.0521 K(o=-0.052,f=-1.5) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-3.6!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.986 -5.358 -11.548 1.00 0.00 N ATOM 2 CA MET A 1 -5.869 -4.415 -10.419 1.00 0.00 C ATOM 3 C MET A 1 -6.979 -4.656 -9.406 1.00 0.00 C ATOM 4 O MET A 1 -8.087 -5.028 -9.781 1.00 0.00 O ATOM 5 CB MET A 1 -5.947 -2.970 -10.915 1.00 0.00 C ATOM 6 CG MET A 1 -5.540 -1.956 -9.844 1.00 0.00 C ATOM 7 SD MET A 1 -3.763 -1.673 -9.725 1.00 0.00 S ATOM 8 CE MET A 1 -3.660 -0.553 -11.140 1.00 0.00 C ATOM 0 H1 MET A 1 -5.891 -4.840 -12.445 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.235 -6.074 -11.481 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.914 -5.826 -11.515 1.00 0.00 H new ATOM 0 HA MET A 1 -4.903 -4.580 -9.943 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.300 -2.853 -11.785 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.964 -2.757 -11.243 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.034 -1.007 -10.053 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.907 -2.300 -8.877 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.826 -0.847 -11.777 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.587 -0.602 -11.711 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.505 0.466 -10.787 1.00 0.00 H new ATOM 20 N LEU A 2 -6.686 -4.441 -8.125 1.00 0.00 N ATOM 21 CA LEU A 2 -7.674 -4.524 -7.063 1.00 0.00 C ATOM 22 C LEU A 2 -7.523 -3.263 -6.216 1.00 0.00 C ATOM 23 O LEU A 2 -6.438 -2.987 -5.712 1.00 0.00 O ATOM 24 CB LEU A 2 -7.423 -5.838 -6.306 1.00 0.00 C ATOM 25 CG LEU A 2 -8.372 -6.135 -5.136 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.890 -5.449 -3.865 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.812 -5.724 -5.427 1.00 0.00 C ATOM 0 H LEU A 2 -5.750 -4.203 -7.798 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.707 -4.555 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.487 -6.661 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.402 -5.825 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.361 -7.216 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.576 -5.672 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.894 -5.812 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.854 -4.371 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.438 -5.957 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.852 -4.653 -5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.177 -6.268 -6.298 1.00 0.00 H new ATOM 39 N ILE A 3 -8.608 -2.498 -6.061 1.00 0.00 N ATOM 40 CA ILE A 3 -8.556 -1.182 -5.442 1.00 0.00 C ATOM 41 C ILE A 3 -9.342 -1.176 -4.143 1.00 0.00 C ATOM 42 O ILE A 3 -10.347 -1.874 -4.010 1.00 0.00 O ATOM 43 CB ILE A 3 -9.101 -0.109 -6.398 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.229 0.039 -7.647 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.122 1.260 -5.708 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.558 -0.992 -8.716 1.00 0.00 C ATOM 0 H ILE A 3 -9.542 -2.778 -6.362 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.514 -0.950 -5.222 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.104 -0.430 -6.680 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.359 1.039 -8.060 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.180 -0.056 -7.367 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.510 2.009 -6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.761 1.213 -4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.110 1.532 -5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.910 -0.841 -9.579 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.401 -1.994 -8.316 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.599 -0.881 -9.020 1.00 0.00 H new ATOM 58 N LEU A 4 -8.852 -0.372 -3.198 1.00 0.00 N ATOM 59 CA LEU A 4 -9.398 -0.235 -1.861 1.00 0.00 C ATOM 60 C LEU A 4 -9.195 1.207 -1.401 1.00 0.00 C ATOM 61 O LEU A 4 -8.304 1.895 -1.901 1.00 0.00 O ATOM 62 CB LEU A 4 -8.640 -1.183 -0.923 1.00 0.00 C ATOM 63 CG LEU A 4 -8.671 -2.652 -1.371 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.695 -3.470 -0.529 1.00 0.00 C ATOM 65 CD2 LEU A 4 -10.068 -3.248 -1.220 1.00 0.00 C ATOM 0 H LEU A 4 -8.036 0.219 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.460 -0.480 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.603 -0.856 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.067 -1.108 0.077 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.386 -2.685 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.721 -4.511 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.687 -3.076 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.980 -3.408 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.057 -4.288 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.374 -3.198 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.772 -2.684 -1.832 1.00 0.00 H new ATOM 77 N THR A 5 -10.009 1.665 -0.450 1.00 0.00 N ATOM 78 CA THR A 5 -9.770 2.943 0.207 1.00 0.00 C ATOM 79 C THR A 5 -9.471 2.689 1.676 1.00 0.00 C ATOM 80 O THR A 5 -9.955 1.719 2.262 1.00 0.00 O ATOM 81 CB THR A 5 -10.946 3.912 0.082 1.00 0.00 C ATOM 82 OG1 THR A 5 -12.166 3.250 0.307 1.00 0.00 O ATOM 83 CG2 THR A 5 -10.979 4.592 -1.286 1.00 0.00 C ATOM 0 H THR A 5 -10.837 1.169 -0.120 1.00 0.00 H new ATOM 0 HA THR A 5 -8.923 3.415 -0.291 1.00 0.00 H new ATOM 0 HB THR A 5 -10.806 4.680 0.843 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.905 3.888 0.224 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.829 5.272 -1.334 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.057 5.153 -1.436 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.075 3.836 -2.066 1.00 0.00 H new ATOM 91 N ARG A 6 -8.665 3.571 2.268 1.00 0.00 N ATOM 92 CA ARG A 6 -8.235 3.435 3.645 1.00 0.00 C ATOM 93 C ARG A 6 -8.100 4.809 4.273 1.00 0.00 C ATOM 94 O ARG A 6 -7.426 5.680 3.728 1.00 0.00 O ATOM 95 CB ARG A 6 -6.890 2.703 3.628 1.00 0.00 C ATOM 96 CG ARG A 6 -6.474 2.128 4.980 1.00 0.00 C ATOM 97 CD ARG A 6 -7.210 0.838 5.357 1.00 0.00 C ATOM 98 NE ARG A 6 -8.611 1.049 5.724 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.457 0.055 6.020 1.00 0.00 C ATOM 100 NH1 ARG A 6 -9.041 -1.208 6.061 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.732 0.323 6.276 1.00 0.00 N ATOM 0 H ARG A 6 -8.296 4.398 1.799 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.958 2.872 4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.939 1.893 2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.118 3.392 3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.402 1.933 4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.652 2.876 5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.163 0.144 4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.692 0.364 6.191 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.962 2.006 5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.065 -1.430 5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.698 -1.954 6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.066 1.286 6.247 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.377 -0.434 6.502 1.00 0.00 H new ATOM 115 N LYS A 7 -8.744 4.996 5.421 1.00 0.00 N ATOM 116 CA LYS A 7 -8.666 6.237 6.161 1.00 0.00 C ATOM 117 C LYS A 7 -7.302 6.319 6.827 1.00 0.00 C ATOM 118 O LYS A 7 -6.707 5.288 7.140 1.00 0.00 O ATOM 119 CB LYS A 7 -9.767 6.262 7.212 1.00 0.00 C ATOM 120 CG LYS A 7 -11.151 6.323 6.570 1.00 0.00 C ATOM 121 CD LYS A 7 -11.447 7.739 6.071 1.00 0.00 C ATOM 122 CE LYS A 7 -11.788 8.658 7.245 1.00 0.00 C ATOM 123 NZ LYS A 7 -12.422 9.899 6.771 1.00 0.00 N ATOM 0 H LYS A 7 -9.333 4.287 5.859 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.796 7.089 5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.694 5.373 7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.629 7.124 7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.205 5.619 5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.908 6.020 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.583 8.130 5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.278 7.717 5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.457 8.142 7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.881 8.897 7.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.645 10.508 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.771 10.399 6.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.298 9.668 6.261 1.00 0.00 H new ATOM 137 N VAL A 8 -6.798 7.532 7.048 1.00 0.00 N ATOM 138 CA VAL A 8 -5.502 7.650 7.702 1.00 0.00 C ATOM 139 C VAL A 8 -5.573 7.015 9.088 1.00 0.00 C ATOM 140 O VAL A 8 -6.422 7.374 9.903 1.00 0.00 O ATOM 141 CB VAL A 8 -4.999 9.093 7.755 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.782 9.589 6.329 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.923 10.073 8.469 1.00 0.00 C ATOM 0 H VAL A 8 -7.247 8.412 6.795 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.767 7.110 7.105 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.078 9.065 8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.423 10.618 6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.044 8.958 5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.724 9.546 5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.479 11.068 8.454 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.888 10.098 7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.063 9.754 9.502 1.00 0.00 H new ATOM 153 N GLY A 9 -4.673 6.062 9.347 1.00 0.00 N ATOM 154 CA GLY A 9 -4.621 5.365 10.626 1.00 0.00 C ATOM 155 C GLY A 9 -5.136 3.923 10.561 1.00 0.00 C ATOM 156 O GLY A 9 -5.253 3.280 11.602 1.00 0.00 O ATOM 0 H GLY A 9 -3.966 5.757 8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.592 5.358 10.985 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.210 5.920 11.357 1.00 0.00 H new ATOM 160 N GLU A 10 -5.443 3.406 9.365 1.00 0.00 N ATOM 161 CA GLU A 10 -5.929 2.040 9.199 1.00 0.00 C ATOM 162 C GLU A 10 -4.935 1.209 8.381 1.00 0.00 C ATOM 163 O GLU A 10 -3.892 1.719 7.969 1.00 0.00 O ATOM 164 CB GLU A 10 -7.316 2.053 8.555 1.00 0.00 C ATOM 165 CG GLU A 10 -8.347 2.821 9.384 1.00 0.00 C ATOM 166 CD GLU A 10 -9.717 2.776 8.712 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.761 2.931 7.468 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.714 2.588 9.444 1.00 0.00 O ATOM 0 H GLU A 10 -5.360 3.925 8.491 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.016 1.571 10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.247 2.501 7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.658 1.027 8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.412 2.391 10.383 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.028 3.856 9.503 1.00 0.00 H new ATOM 175 N SER A 11 -5.246 -0.073 8.140 1.00 0.00 N ATOM 176 CA SER A 11 -4.317 -0.982 7.473 1.00 0.00 C ATOM 177 C SER A 11 -4.971 -1.851 6.394 1.00 0.00 C ATOM 178 O SER A 11 -6.195 -1.921 6.278 1.00 0.00 O ATOM 179 CB SER A 11 -3.648 -1.872 8.525 1.00 0.00 C ATOM 180 OG SER A 11 -2.903 -1.085 9.435 1.00 0.00 O ATOM 0 H SER A 11 -6.136 -0.499 8.399 1.00 0.00 H new ATOM 0 HA SER A 11 -3.582 -0.364 6.957 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.405 -2.442 9.063 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.993 -2.593 8.037 1.00 0.00 H new ATOM 0 HG SER A 11 -2.482 -1.667 10.102 1.00 0.00 H new ATOM 186 N ILE A 12 -4.110 -2.513 5.613 1.00 0.00 N ATOM 187 CA ILE A 12 -4.437 -3.380 4.482 1.00 0.00 C ATOM 188 C ILE A 12 -3.526 -4.609 4.573 1.00 0.00 C ATOM 189 O ILE A 12 -2.500 -4.551 5.247 1.00 0.00 O ATOM 190 CB ILE A 12 -4.194 -2.603 3.176 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.115 -1.382 3.047 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.338 -3.492 1.936 1.00 0.00 C ATOM 193 CD1 ILE A 12 -6.585 -1.767 2.894 1.00 0.00 C ATOM 0 H ILE A 12 -3.103 -2.452 5.766 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.480 -3.696 4.499 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.163 -2.253 3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.999 -0.750 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.807 -0.789 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.157 -2.898 1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.614 -4.305 1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.346 -3.906 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.190 -0.865 2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.710 -2.376 1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.905 -2.336 3.767 1.00 0.00 H new ATOM 205 N ASN A 13 -3.866 -5.723 3.916 1.00 0.00 N ATOM 206 CA ASN A 13 -3.097 -6.953 4.054 1.00 0.00 C ATOM 207 C ASN A 13 -2.804 -7.602 2.703 1.00 0.00 C ATOM 208 O ASN A 13 -3.544 -7.422 1.739 1.00 0.00 O ATOM 209 CB ASN A 13 -3.873 -7.927 4.937 1.00 0.00 C ATOM 210 CG ASN A 13 -4.252 -7.299 6.270 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.360 -6.790 6.426 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.339 -7.322 7.237 1.00 0.00 N ATOM 0 H ASN A 13 -4.666 -5.793 3.287 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.138 -6.704 4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.775 -8.250 4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.270 -8.818 5.113 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.548 -6.908 8.146 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.430 -7.754 7.070 1.00 0.00 H new ATOM 219 N ILE A 14 -1.708 -8.369 2.658 1.00 0.00 N ATOM 220 CA ILE A 14 -1.270 -9.097 1.474 1.00 0.00 C ATOM 221 C ILE A 14 -0.697 -10.441 1.917 1.00 0.00 C ATOM 222 O ILE A 14 0.072 -10.508 2.877 1.00 0.00 O ATOM 223 CB ILE A 14 -0.199 -8.297 0.717 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.738 -6.917 0.312 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.268 -9.099 -0.510 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.327 -6.085 -0.405 1.00 0.00 C ATOM 0 H ILE A 14 -1.093 -8.500 3.461 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.117 -9.251 0.805 1.00 0.00 H new ATOM 0 HB ILE A 14 0.657 -8.132 1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.603 -7.040 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.080 -6.385 1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.028 -8.532 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.688 -10.051 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.581 -9.283 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.091 -5.115 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.181 -5.940 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.650 -6.606 -1.306 1.00 0.00 H new ATOM 238 N GLY A 15 -1.072 -11.518 1.219 1.00 0.00 N ATOM 239 CA GLY A 15 -0.610 -12.858 1.544 1.00 0.00 C ATOM 240 C GLY A 15 -0.890 -13.183 3.008 1.00 0.00 C ATOM 241 O GLY A 15 -1.907 -12.770 3.565 1.00 0.00 O ATOM 0 H GLY A 15 -1.702 -11.479 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.108 -13.585 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.459 -12.938 1.346 1.00 0.00 H new ATOM 245 N ASP A 16 0.022 -13.932 3.626 1.00 0.00 N ATOM 246 CA ASP A 16 -0.047 -14.275 5.040 1.00 0.00 C ATOM 247 C ASP A 16 1.236 -13.859 5.765 1.00 0.00 C ATOM 248 O ASP A 16 1.502 -14.308 6.878 1.00 0.00 O ATOM 249 CB ASP A 16 -0.372 -15.763 5.202 1.00 0.00 C ATOM 250 CG ASP A 16 0.726 -16.672 4.647 1.00 0.00 C ATOM 251 OD1 ASP A 16 0.887 -16.696 3.405 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.392 -17.333 5.471 1.00 0.00 O ATOM 0 H ASP A 16 0.837 -14.320 3.151 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.856 -13.717 5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.522 -15.985 6.259 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.311 -15.983 4.694 1.00 0.00 H new ATOM 257 N ASP A 17 2.035 -12.996 5.122 1.00 0.00 N ATOM 258 CA ASP A 17 3.306 -12.524 5.665 1.00 0.00 C ATOM 259 C ASP A 17 3.487 -11.017 5.500 1.00 0.00 C ATOM 260 O ASP A 17 4.525 -10.495 5.901 1.00 0.00 O ATOM 261 CB ASP A 17 4.465 -13.248 4.979 1.00 0.00 C ATOM 262 CG ASP A 17 4.424 -14.755 5.211 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.736 -15.172 6.350 1.00 0.00 O ATOM 264 OD2 ASP A 17 4.087 -15.477 4.247 1.00 0.00 O ATOM 0 H ASP A 17 1.812 -12.607 4.206 1.00 0.00 H new ATOM 0 HA ASP A 17 3.299 -12.743 6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.434 -13.046 3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.410 -12.851 5.351 1.00 0.00 H new ATOM 269 N ILE A 18 2.518 -10.299 4.919 1.00 0.00 N ATOM 270 CA ILE A 18 2.682 -8.869 4.688 1.00 0.00 C ATOM 271 C ILE A 18 1.443 -8.090 5.127 1.00 0.00 C ATOM 272 O ILE A 18 0.312 -8.565 5.023 1.00 0.00 O ATOM 273 CB ILE A 18 2.991 -8.592 3.203 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.225 -9.359 2.710 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.225 -7.096 2.989 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.813 -10.677 2.053 1.00 0.00 C ATOM 0 H ILE A 18 1.626 -10.683 4.606 1.00 0.00 H new ATOM 0 HA ILE A 18 3.524 -8.529 5.291 1.00 0.00 H new ATOM 0 HB ILE A 18 2.128 -8.933 2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.778 -8.748 1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.895 -9.557 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.443 -6.909 1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.332 -6.543 3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.068 -6.769 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.702 -11.206 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.280 -11.294 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.162 -10.472 1.203 1.00 0.00 H new ATOM 288 N THR A 19 1.680 -6.874 5.620 1.00 0.00 N ATOM 289 CA THR A 19 0.645 -5.930 6.012 1.00 0.00 C ATOM 290 C THR A 19 1.104 -4.536 5.593 1.00 0.00 C ATOM 291 O THR A 19 2.300 -4.286 5.462 1.00 0.00 O ATOM 292 CB THR A 19 0.403 -6.036 7.524 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.091 -7.322 7.828 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.614 -5.012 8.018 1.00 0.00 C ATOM 0 H THR A 19 2.624 -6.513 5.760 1.00 0.00 H new ATOM 0 HA THR A 19 -0.304 -6.147 5.522 1.00 0.00 H new ATOM 0 HB THR A 19 1.356 -5.846 8.018 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.245 -7.393 8.793 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.752 -5.126 9.093 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.252 -4.007 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.566 -5.171 7.511 1.00 0.00 H new ATOM 302 N ILE A 20 0.149 -3.629 5.390 1.00 0.00 N ATOM 303 CA ILE A 20 0.400 -2.273 4.926 1.00 0.00 C ATOM 304 C ILE A 20 -0.411 -1.321 5.797 1.00 0.00 C ATOM 305 O ILE A 20 -1.479 -1.691 6.278 1.00 0.00 O ATOM 306 CB ILE A 20 -0.025 -2.154 3.455 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.654 -3.186 2.546 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.244 -0.739 2.927 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.155 -2.954 2.384 1.00 0.00 C ATOM 0 H ILE A 20 -0.840 -3.824 5.548 1.00 0.00 H new ATOM 0 HA ILE A 20 1.459 -2.025 4.999 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.095 -2.360 3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.490 -4.183 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.182 -3.162 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.064 -0.675 1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.321 -0.017 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.308 -0.518 3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.573 -3.719 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.326 -1.970 1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.639 -3.008 3.359 1.00 0.00 H new ATOM 321 N THR A 21 0.087 -0.101 6.001 1.00 0.00 N ATOM 322 CA THR A 21 -0.583 0.868 6.861 1.00 0.00 C ATOM 323 C THR A 21 -0.451 2.272 6.280 1.00 0.00 C ATOM 324 O THR A 21 0.568 2.609 5.683 1.00 0.00 O ATOM 325 CB THR A 21 0.037 0.812 8.263 1.00 0.00 C ATOM 326 OG1 THR A 21 0.029 -0.516 8.742 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.738 1.675 9.254 1.00 0.00 C ATOM 0 H THR A 21 0.953 0.237 5.581 1.00 0.00 H new ATOM 0 HA THR A 21 -1.643 0.623 6.924 1.00 0.00 H new ATOM 0 HB THR A 21 1.057 1.188 8.180 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.883 -0.765 9.002 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.270 1.611 10.236 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.732 2.711 8.916 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.767 1.320 9.318 1.00 0.00 H new ATOM 335 N ILE A 22 -1.488 3.089 6.456 1.00 0.00 N ATOM 336 CA ILE A 22 -1.554 4.456 5.951 1.00 0.00 C ATOM 337 C ILE A 22 -1.408 5.409 7.139 1.00 0.00 C ATOM 338 O ILE A 22 -2.395 5.829 7.736 1.00 0.00 O ATOM 339 CB ILE A 22 -2.847 4.634 5.133 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.182 6.077 4.767 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.065 4.071 5.864 1.00 0.00 C ATOM 342 CD1 ILE A 22 -2.006 6.787 4.115 1.00 0.00 C ATOM 0 H ILE A 22 -2.326 2.810 6.967 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.741 4.687 5.263 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.636 4.084 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.035 6.090 4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.480 6.619 5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.956 4.217 5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.920 3.006 6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.189 4.588 6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.289 7.811 3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.161 6.798 4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.724 6.261 3.203 1.00 0.00 H new ATOM 354 N LEU A 23 -0.163 5.752 7.485 1.00 0.00 N ATOM 355 CA LEU A 23 0.108 6.522 8.692 1.00 0.00 C ATOM 356 C LEU A 23 -0.467 7.936 8.587 1.00 0.00 C ATOM 357 O LEU A 23 -0.694 8.582 9.605 1.00 0.00 O ATOM 358 CB LEU A 23 1.617 6.556 9.021 1.00 0.00 C ATOM 359 CG LEU A 23 2.465 5.463 8.363 1.00 0.00 C ATOM 360 CD1 LEU A 23 3.936 5.725 8.674 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.105 4.069 8.874 1.00 0.00 C ATOM 0 H LEU A 23 0.667 5.507 6.945 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.393 6.018 9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.013 7.527 8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.736 6.481 10.102 1.00 0.00 H new ATOM 0 HG LEU A 23 2.272 5.493 7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.549 4.952 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.223 6.700 8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.088 5.710 9.753 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.732 3.327 8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.269 4.023 9.951 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.057 3.861 8.657 1.00 0.00 H new ATOM 373 N GLY A 24 -0.710 8.423 7.361 1.00 0.00 N ATOM 374 CA GLY A 24 -1.376 9.700 7.138 1.00 0.00 C ATOM 375 C GLY A 24 -1.036 10.298 5.777 1.00 0.00 C ATOM 376 O GLY A 24 -0.448 9.628 4.930 1.00 0.00 O ATOM 0 H GLY A 24 -0.448 7.938 6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.455 9.563 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.088 10.400 7.922 1.00 0.00 H new ATOM 380 N VAL A 25 -1.410 11.564 5.568 1.00 0.00 N ATOM 381 CA VAL A 25 -1.091 12.286 4.339 1.00 0.00 C ATOM 382 C VAL A 25 -0.455 13.635 4.670 1.00 0.00 C ATOM 383 O VAL A 25 -0.437 14.047 5.833 1.00 0.00 O ATOM 384 CB VAL A 25 -2.322 12.451 3.433 1.00 0.00 C ATOM 385 CG1 VAL A 25 -3.117 11.152 3.323 1.00 0.00 C ATOM 386 CG2 VAL A 25 -3.244 13.572 3.918 1.00 0.00 C ATOM 0 H VAL A 25 -1.940 12.113 6.245 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.369 11.692 3.778 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.941 12.718 2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.980 11.307 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.483 10.372 2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.457 10.849 4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.101 13.654 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.591 13.347 4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.698 14.515 3.925 1.00 0.00 H new ATOM 396 N SER A 26 0.065 14.320 3.652 1.00 0.00 N ATOM 397 CA SER A 26 0.799 15.567 3.828 1.00 0.00 C ATOM 398 C SER A 26 0.505 16.539 2.690 1.00 0.00 C ATOM 399 O SER A 26 1.426 17.093 2.091 1.00 0.00 O ATOM 400 CB SER A 26 2.296 15.272 3.886 1.00 0.00 C ATOM 401 OG SER A 26 2.600 14.472 5.014 1.00 0.00 O ATOM 0 H SER A 26 -0.013 14.022 2.680 1.00 0.00 H new ATOM 0 HA SER A 26 0.479 16.030 4.761 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.607 14.760 2.975 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.855 16.206 3.934 1.00 0.00 H new ATOM 0 HG SER A 26 3.563 14.290 5.036 1.00 0.00 H new ATOM 407 N GLY A 27 -0.778 16.746 2.391 1.00 0.00 N ATOM 408 CA GLY A 27 -1.208 17.588 1.293 1.00 0.00 C ATOM 409 C GLY A 27 -1.696 16.691 0.167 1.00 0.00 C ATOM 410 O GLY A 27 -2.809 16.167 0.240 1.00 0.00 O ATOM 0 H GLY A 27 -1.548 16.327 2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.004 18.258 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.385 18.215 0.950 1.00 0.00 H new ATOM 414 N GLN A 28 -0.869 16.509 -0.867 1.00 0.00 N ATOM 415 CA GLN A 28 -1.154 15.554 -1.930 1.00 0.00 C ATOM 416 C GLN A 28 -0.104 14.450 -1.917 1.00 0.00 C ATOM 417 O GLN A 28 -0.110 13.555 -2.768 1.00 0.00 O ATOM 418 CB GLN A 28 -1.281 16.262 -3.284 1.00 0.00 C ATOM 419 CG GLN A 28 -2.505 15.724 -4.028 1.00 0.00 C ATOM 420 CD GLN A 28 -3.791 16.135 -3.322 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.337 15.256 -2.486 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -4.291 17.236 -3.528 1.00 0.00 N flip ATOM 0 H GLN A 28 0.008 17.017 -0.986 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.120 15.081 -1.755 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.376 17.338 -3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.381 16.100 -3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.510 16.101 -5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.450 14.637 -4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.845 17.885 -4.176 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.153 17.502 -3.051 1.00 0.00 H new ATOM 431 N GLN A 29 0.804 14.520 -0.938 1.00 0.00 N ATOM 432 CA GLN A 29 1.695 13.422 -0.621 1.00 0.00 C ATOM 433 C GLN A 29 0.988 12.516 0.380 1.00 0.00 C ATOM 434 O GLN A 29 0.010 12.919 1.005 1.00 0.00 O ATOM 435 CB GLN A 29 3.015 13.924 -0.025 1.00 0.00 C ATOM 436 CG GLN A 29 3.911 14.551 -1.095 1.00 0.00 C ATOM 437 CD GLN A 29 5.382 14.400 -0.728 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.979 13.349 -0.952 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.985 15.443 -0.163 1.00 0.00 N ATOM 0 H GLN A 29 0.934 15.343 -0.349 1.00 0.00 H new ATOM 0 HA GLN A 29 1.936 12.879 -1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.808 14.658 0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.539 13.095 0.450 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.722 14.076 -2.058 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.666 15.607 -1.207 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.463 16.302 0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.970 15.384 0.097 1.00 0.00 H new ATOM 448 N VAL A 30 1.483 11.290 0.531 1.00 0.00 N ATOM 449 CA VAL A 30 0.897 10.288 1.403 1.00 0.00 C ATOM 450 C VAL A 30 2.030 9.567 2.120 1.00 0.00 C ATOM 451 O VAL A 30 3.121 9.434 1.568 1.00 0.00 O ATOM 452 CB VAL A 30 0.056 9.317 0.560 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.598 8.262 1.447 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.064 10.058 -0.173 1.00 0.00 C ATOM 0 H VAL A 30 2.316 10.964 0.041 1.00 0.00 H new ATOM 0 HA VAL A 30 0.240 10.742 2.145 1.00 0.00 H new ATOM 0 HB VAL A 30 0.731 8.849 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.189 7.584 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.174 7.697 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.247 8.750 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.645 9.348 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.715 10.544 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.632 10.810 -0.833 1.00 0.00 H new ATOM 464 N ARG A 31 1.777 9.107 3.347 1.00 0.00 N ATOM 465 CA ARG A 31 2.782 8.451 4.168 1.00 0.00 C ATOM 466 C ARG A 31 2.264 7.080 4.565 1.00 0.00 C ATOM 467 O ARG A 31 1.217 6.957 5.199 1.00 0.00 O ATOM 468 CB ARG A 31 3.099 9.315 5.384 1.00 0.00 C ATOM 469 CG ARG A 31 4.381 8.837 6.055 1.00 0.00 C ATOM 470 CD ARG A 31 4.660 9.761 7.234 1.00 0.00 C ATOM 471 NE ARG A 31 5.992 9.527 7.795 1.00 0.00 N ATOM 472 CZ ARG A 31 6.262 9.458 9.105 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.303 9.547 10.020 1.00 0.00 N ATOM 474 NH2 ARG A 31 7.511 9.297 9.515 1.00 0.00 N ATOM 0 H ARG A 31 0.864 9.182 3.796 1.00 0.00 H new ATOM 0 HA ARG A 31 3.710 8.322 3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.206 10.356 5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.272 9.273 6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.274 7.807 6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.212 8.856 5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.577 10.799 6.912 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.906 9.605 8.006 1.00 0.00 H new ATOM 0 HE ARG A 31 6.768 9.408 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.333 9.671 9.731 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.537 9.491 11.011 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.266 9.226 8.833 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.718 9.244 10.512 1.00 0.00 H new ATOM 488 N ILE A 32 3.023 6.055 4.186 1.00 0.00 N ATOM 489 CA ILE A 32 2.589 4.672 4.252 1.00 0.00 C ATOM 490 C ILE A 32 3.720 3.795 4.761 1.00 0.00 C ATOM 491 O ILE A 32 4.888 4.051 4.473 1.00 0.00 O ATOM 492 CB ILE A 32 2.154 4.246 2.843 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.816 4.912 2.510 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.027 2.723 2.702 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.547 4.911 1.005 1.00 0.00 C ATOM 0 H ILE A 32 3.968 6.169 3.820 1.00 0.00 H new ATOM 0 HA ILE A 32 1.753 4.564 4.943 1.00 0.00 H new ATOM 0 HB ILE A 32 2.927 4.567 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.010 4.389 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.817 5.937 2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.717 2.476 1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.990 2.257 2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.284 2.353 3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.411 5.392 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.340 5.457 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.520 3.884 0.641 1.00 0.00 H new ATOM 507 N GLY A 33 3.356 2.761 5.519 1.00 0.00 N ATOM 508 CA GLY A 33 4.300 1.823 6.094 1.00 0.00 C ATOM 509 C GLY A 33 4.019 0.418 5.589 1.00 0.00 C ATOM 510 O GLY A 33 2.932 0.131 5.083 1.00 0.00 O ATOM 0 H GLY A 33 2.384 2.555 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.317 2.114 5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.231 1.847 7.182 1.00 0.00 H new ATOM 514 N ILE A 34 5.013 -0.457 5.734 1.00 0.00 N ATOM 515 CA ILE A 34 4.968 -1.819 5.248 1.00 0.00 C ATOM 516 C ILE A 34 5.495 -2.703 6.363 1.00 0.00 C ATOM 517 O ILE A 34 6.363 -2.295 7.132 1.00 0.00 O ATOM 518 CB ILE A 34 5.814 -1.931 3.968 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.283 -0.948 2.916 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.780 -3.357 3.419 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.160 -0.907 1.666 1.00 0.00 C ATOM 0 H ILE A 34 5.888 -0.225 6.204 1.00 0.00 H new ATOM 0 HA ILE A 34 3.956 -2.131 4.988 1.00 0.00 H new ATOM 0 HB ILE A 34 6.848 -1.684 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.268 -1.232 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.226 0.050 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.385 -3.413 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.179 -4.044 4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.752 -3.633 3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.743 -0.197 0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.168 -0.596 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.196 -1.898 1.214 1.00 0.00 H new ATOM 533 N ASN A 35 4.964 -3.918 6.454 1.00 0.00 N ATOM 534 CA ASN A 35 5.267 -4.819 7.546 1.00 0.00 C ATOM 535 C ASN A 35 5.411 -6.225 6.985 1.00 0.00 C ATOM 536 O ASN A 35 4.435 -6.964 6.868 1.00 0.00 O ATOM 537 CB ASN A 35 4.160 -4.724 8.590 1.00 0.00 C ATOM 538 CG ASN A 35 4.443 -5.590 9.812 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.538 -6.122 9.970 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.455 -5.741 10.686 1.00 0.00 N ATOM 0 H ASN A 35 4.312 -4.300 5.769 1.00 0.00 H new ATOM 0 HA ASN A 35 6.204 -4.552 8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.045 -3.686 8.902 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.214 -5.029 8.142 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.594 -6.313 11.519 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.557 -5.285 10.524 1.00 0.00 H new ATOM 547 N ALA A 36 6.645 -6.581 6.637 1.00 0.00 N ATOM 548 CA ALA A 36 6.961 -7.866 6.038 1.00 0.00 C ATOM 549 C ALA A 36 8.298 -8.391 6.559 1.00 0.00 C ATOM 550 O ALA A 36 9.138 -7.611 7.009 1.00 0.00 O ATOM 551 CB ALA A 36 7.045 -7.691 4.523 1.00 0.00 C ATOM 0 H ALA A 36 7.457 -5.978 6.766 1.00 0.00 H new ATOM 0 HA ALA A 36 6.182 -8.583 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.282 -8.648 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.088 -7.331 4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.825 -6.968 4.283 1.00 0.00 H new ATOM 557 N PRO A 37 8.497 -9.713 6.497 1.00 0.00 N ATOM 558 CA PRO A 37 9.766 -10.355 6.791 1.00 0.00 C ATOM 559 C PRO A 37 10.809 -10.030 5.735 1.00 0.00 C ATOM 560 O PRO A 37 10.481 -9.625 4.621 1.00 0.00 O ATOM 561 CB PRO A 37 9.462 -11.854 6.764 1.00 0.00 C ATOM 562 CG PRO A 37 8.231 -11.989 5.869 1.00 0.00 C ATOM 563 CD PRO A 37 7.490 -10.690 6.129 1.00 0.00 C ATOM 0 HA PRO A 37 10.169 -10.017 7.746 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.304 -12.421 6.366 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.266 -12.236 7.766 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.503 -12.098 4.819 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.630 -12.859 6.134 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.944 -10.370 5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.758 -10.813 6.927 1.00 0.00 H new ATOM 571 N LYS A 38 12.081 -10.217 6.092 1.00 0.00 N ATOM 572 CA LYS A 38 13.180 -10.097 5.146 1.00 0.00 C ATOM 573 C LYS A 38 13.124 -11.229 4.124 1.00 0.00 C ATOM 574 O LYS A 38 13.956 -11.307 3.222 1.00 0.00 O ATOM 575 CB LYS A 38 14.508 -10.080 5.899 1.00 0.00 C ATOM 576 CG LYS A 38 14.605 -8.884 6.847 1.00 0.00 C ATOM 577 CD LYS A 38 14.404 -7.570 6.095 1.00 0.00 C ATOM 578 CE LYS A 38 14.675 -6.394 7.021 1.00 0.00 C ATOM 579 NZ LYS A 38 16.087 -6.341 7.450 1.00 0.00 N ATOM 0 H LYS A 38 12.372 -10.454 7.040 1.00 0.00 H new ATOM 0 HA LYS A 38 13.090 -9.158 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.616 -11.004 6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.331 -10.046 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.854 -8.976 7.632 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.579 -8.882 7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.072 -7.528 5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.386 -7.514 5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.416 -5.465 6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.032 -6.468 7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.313 -5.382 7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.241 -7.020 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.703 -6.583 6.648 1.00 0.00 H new ATOM 593 N ASP A 39 12.132 -12.109 4.277 1.00 0.00 N ATOM 594 CA ASP A 39 11.826 -13.167 3.332 1.00 0.00 C ATOM 595 C ASP A 39 11.329 -12.577 2.011 1.00 0.00 C ATOM 596 O ASP A 39 11.232 -13.291 1.015 1.00 0.00 O ATOM 597 CB ASP A 39 10.731 -14.037 3.946 1.00 0.00 C ATOM 598 CG ASP A 39 10.677 -15.415 3.292 1.00 0.00 C ATOM 599 OD1 ASP A 39 11.702 -16.130 3.356 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.609 -15.744 2.730 1.00 0.00 O ATOM 0 H ASP A 39 11.508 -12.099 5.084 1.00 0.00 H new ATOM 0 HA ASP A 39 12.721 -13.754 3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.910 -14.148 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.766 -13.542 3.834 1.00 0.00 H new ATOM 605 N VAL A 40 11.018 -11.275 2.010 1.00 0.00 N ATOM 606 CA VAL A 40 10.509 -10.577 0.841 1.00 0.00 C ATOM 607 C VAL A 40 11.150 -9.195 0.730 1.00 0.00 C ATOM 608 O VAL A 40 11.678 -8.663 1.709 1.00 0.00 O ATOM 609 CB VAL A 40 8.977 -10.464 0.904 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.338 -11.808 1.262 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.517 -9.441 1.939 1.00 0.00 C ATOM 0 H VAL A 40 11.116 -10.678 2.831 1.00 0.00 H new ATOM 0 HA VAL A 40 10.770 -11.150 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 40 8.661 -10.143 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.254 -11.697 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.601 -12.549 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.703 -12.137 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.428 -9.396 1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.876 -9.735 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.919 -8.460 1.684 1.00 0.00 H new ATOM 621 N ALA A 41 11.101 -8.614 -0.469 1.00 0.00 N ATOM 622 CA ALA A 41 11.708 -7.324 -0.735 1.00 0.00 C ATOM 623 C ALA A 41 10.620 -6.272 -0.916 1.00 0.00 C ATOM 624 O ALA A 41 9.556 -6.575 -1.452 1.00 0.00 O ATOM 625 CB ALA A 41 12.542 -7.451 -2.012 1.00 0.00 C ATOM 0 H ALA A 41 10.638 -9.029 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 41 12.343 -7.019 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.011 -6.493 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.313 -8.208 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.897 -7.742 -2.841 1.00 0.00 H new ATOM 631 N VAL A 42 10.883 -5.037 -0.472 1.00 0.00 N ATOM 632 CA VAL A 42 9.943 -3.938 -0.653 1.00 0.00 C ATOM 633 C VAL A 42 10.710 -2.653 -0.946 1.00 0.00 C ATOM 634 O VAL A 42 11.552 -2.235 -0.153 1.00 0.00 O ATOM 635 CB VAL A 42 9.030 -3.778 0.577 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.187 -5.032 0.781 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.797 -3.527 1.878 1.00 0.00 C ATOM 0 H VAL A 42 11.741 -4.779 0.015 1.00 0.00 H new ATOM 0 HA VAL A 42 9.298 -4.162 -1.502 1.00 0.00 H new ATOM 0 HB VAL A 42 8.411 -2.906 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.548 -4.902 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.568 -5.202 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.842 -5.890 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.091 -3.424 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.465 -4.366 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.382 -2.612 1.785 1.00 0.00 H new ATOM 647 N HIS A 43 10.424 -2.019 -2.088 1.00 0.00 N ATOM 648 CA HIS A 43 11.122 -0.797 -2.475 1.00 0.00 C ATOM 649 C HIS A 43 10.283 0.039 -3.435 1.00 0.00 C ATOM 650 O HIS A 43 9.266 -0.425 -3.950 1.00 0.00 O ATOM 651 CB HIS A 43 12.449 -1.111 -3.183 1.00 0.00 C ATOM 652 CG HIS A 43 13.244 -2.253 -2.600 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.318 -2.117 -1.720 1.00 0.00 N ATOM 654 CD2 HIS A 43 13.035 -3.576 -2.855 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.723 -3.369 -1.453 1.00 0.00 C ATOM 656 NE2 HIS A 43 13.975 -4.262 -2.120 1.00 0.00 N ATOM 0 H HIS A 43 9.718 -2.332 -2.754 1.00 0.00 H new ATOM 0 HA HIS A 43 11.306 -0.246 -1.553 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.238 -1.335 -4.229 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.069 -0.215 -3.168 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.712 -1.250 -1.356 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.283 -4.000 -3.504 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.539 -3.623 -0.792 1.00 0.00 H new ATOM 664 N ARG A 44 10.713 1.280 -3.673 1.00 0.00 N ATOM 665 CA ARG A 44 10.112 2.130 -4.691 1.00 0.00 C ATOM 666 C ARG A 44 10.490 1.597 -6.070 1.00 0.00 C ATOM 667 O ARG A 44 11.488 0.890 -6.207 1.00 0.00 O ATOM 668 CB ARG A 44 10.610 3.570 -4.540 1.00 0.00 C ATOM 669 CG ARG A 44 10.267 4.165 -3.174 1.00 0.00 C ATOM 670 CD ARG A 44 10.747 5.614 -3.086 1.00 0.00 C ATOM 671 NE ARG A 44 10.061 6.466 -4.071 1.00 0.00 N ATOM 672 CZ ARG A 44 10.657 7.081 -5.098 1.00 0.00 C ATOM 673 NH1 ARG A 44 11.969 6.965 -5.295 1.00 0.00 N ATOM 674 NH2 ARG A 44 9.939 7.819 -5.937 1.00 0.00 N ATOM 0 H ARG A 44 11.483 1.718 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 44 9.028 2.122 -4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.690 3.595 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.170 4.188 -5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.190 4.122 -3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.732 3.573 -2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.567 5.998 -2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.823 5.654 -3.255 1.00 0.00 H new ATOM 0 HE ARG A 44 9.055 6.597 -3.962 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.532 6.401 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.410 7.440 -6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.933 7.917 -5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.393 8.288 -6.720 1.00 0.00 H new ATOM 688 N GLU A 45 9.702 1.935 -7.091 1.00 0.00 N ATOM 689 CA GLU A 45 10.009 1.558 -8.467 1.00 0.00 C ATOM 690 C GLU A 45 11.393 2.060 -8.873 1.00 0.00 C ATOM 691 O GLU A 45 11.999 1.508 -9.787 1.00 0.00 O ATOM 692 CB GLU A 45 8.954 2.152 -9.407 1.00 0.00 C ATOM 693 CG GLU A 45 7.653 1.339 -9.404 1.00 0.00 C ATOM 694 CD GLU A 45 7.761 0.041 -10.206 1.00 0.00 C ATOM 695 OE1 GLU A 45 8.858 -0.231 -10.750 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.740 -0.679 -10.272 1.00 0.00 O ATOM 0 H GLU A 45 8.841 2.473 -6.987 1.00 0.00 H new ATOM 0 HA GLU A 45 10.001 0.470 -8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.740 3.178 -9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.354 2.192 -10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.380 1.103 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.848 1.949 -9.815 1.00 0.00 H new ATOM 703 N GLU A 46 11.904 3.102 -8.207 1.00 0.00 N ATOM 704 CA GLU A 46 13.198 3.668 -8.555 1.00 0.00 C ATOM 705 C GLU A 46 14.350 2.823 -8.010 1.00 0.00 C ATOM 706 O GLU A 46 15.430 2.813 -8.596 1.00 0.00 O ATOM 707 CB GLU A 46 13.266 5.092 -8.003 1.00 0.00 C ATOM 708 CG GLU A 46 14.525 5.820 -8.478 1.00 0.00 C ATOM 709 CD GLU A 46 14.566 7.267 -7.988 1.00 0.00 C ATOM 710 OE1 GLU A 46 13.532 7.742 -7.465 1.00 0.00 O ATOM 711 OE2 GLU A 46 15.639 7.895 -8.138 1.00 0.00 O ATOM 0 H GLU A 46 11.437 3.565 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 46 13.302 3.680 -9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.383 5.648 -8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.252 5.062 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.408 5.290 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.564 5.804 -9.567 1.00 0.00 H new ATOM 718 N ILE A 47 14.138 2.112 -6.897 1.00 0.00 N ATOM 719 CA ILE A 47 15.163 1.247 -6.323 1.00 0.00 C ATOM 720 C ILE A 47 15.010 -0.144 -6.925 1.00 0.00 C ATOM 721 O ILE A 47 15.994 -0.849 -7.144 1.00 0.00 O ATOM 722 CB ILE A 47 14.980 1.164 -4.799 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.559 2.375 -4.059 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.697 -0.062 -4.228 1.00 0.00 C ATOM 725 CD1 ILE A 47 14.938 3.695 -4.516 1.00 0.00 C ATOM 0 H ILE A 47 13.260 2.122 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 47 16.153 1.649 -6.541 1.00 0.00 H new ATOM 0 HB ILE A 47 13.902 1.116 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.397 2.253 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.637 2.411 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.552 -0.098 -3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.288 -0.966 -4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.762 0.004 -4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.384 4.519 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.123 3.834 -5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.864 3.674 -4.334 1.00 0.00 H new ATOM 737 N TYR A 48 13.765 -0.534 -7.191 1.00 0.00 N ATOM 738 CA TYR A 48 13.413 -1.848 -7.693 1.00 0.00 C ATOM 739 C TYR A 48 14.122 -2.169 -9.006 1.00 0.00 C ATOM 740 O TYR A 48 14.445 -3.327 -9.274 1.00 0.00 O ATOM 741 CB TYR A 48 11.900 -1.872 -7.886 1.00 0.00 C ATOM 742 CG TYR A 48 11.399 -3.186 -8.430 1.00 0.00 C ATOM 743 CD1 TYR A 48 11.181 -4.270 -7.569 1.00 0.00 C ATOM 744 CD2 TYR A 48 11.156 -3.308 -9.801 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.719 -5.489 -8.087 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.701 -4.520 -10.332 1.00 0.00 C ATOM 747 CZ TYR A 48 10.474 -5.618 -9.472 1.00 0.00 C ATOM 748 OH TYR A 48 10.018 -6.799 -9.981 1.00 0.00 O ATOM 0 H TYR A 48 12.958 0.075 -7.058 1.00 0.00 H new ATOM 0 HA TYR A 48 13.731 -2.607 -6.978 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.414 -1.671 -6.931 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.613 -1.070 -8.566 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.368 -4.167 -6.510 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.320 -2.463 -10.453 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.551 -6.328 -7.428 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.524 -4.616 -11.393 1.00 0.00 H new ATOM 0 HH TYR A 48 9.902 -6.714 -10.950 1.00 0.00 H new ATOM 1605 N MET C 1 8.697 -2.175 10.640 1.00 0.00 N ATOM 1606 CA MET C 1 8.000 -1.335 9.649 1.00 0.00 C ATOM 1607 C MET C 1 8.996 -0.714 8.684 1.00 0.00 C ATOM 1608 O MET C 1 10.038 -0.224 9.113 1.00 0.00 O ATOM 1609 CB MET C 1 7.202 -0.227 10.343 1.00 0.00 C ATOM 1610 CG MET C 1 6.260 0.503 9.388 1.00 0.00 C ATOM 1611 SD MET C 1 4.699 -0.349 9.084 1.00 0.00 S ATOM 1612 CE MET C 1 3.908 0.083 10.649 1.00 0.00 C ATOM 0 H1 MET C 1 8.318 -1.980 11.589 1.00 0.00 H new ATOM 0 H2 MET C 1 8.551 -3.178 10.409 1.00 0.00 H new ATOM 0 H3 MET C 1 9.714 -1.960 10.623 1.00 0.00 H new ATOM 0 HA MET C 1 7.312 -1.972 9.094 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.623 -0.658 11.160 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.893 0.491 10.786 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.047 1.492 9.793 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.770 0.651 8.436 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.532 -0.821 11.128 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.635 0.565 11.303 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.079 0.766 10.462 1.00 0.00 H new ATOM 1624 N LEU C 2 8.679 -0.734 7.387 1.00 0.00 N ATOM 1625 CA LEU C 2 9.460 -0.066 6.356 1.00 0.00 C ATOM 1626 C LEU C 2 8.532 0.985 5.762 1.00 0.00 C ATOM 1627 O LEU C 2 7.422 0.660 5.345 1.00 0.00 O ATOM 1628 CB LEU C 2 9.944 -1.120 5.355 1.00 0.00 C ATOM 1629 CG LEU C 2 10.817 -0.589 4.210 1.00 0.00 C ATOM 1630 CD1 LEU C 2 9.955 -0.021 3.083 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.802 0.479 4.685 1.00 0.00 C ATOM 0 H LEU C 2 7.861 -1.223 7.024 1.00 0.00 H new ATOM 0 HA LEU C 2 10.360 0.429 6.720 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.508 -1.879 5.897 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.073 -1.615 4.926 1.00 0.00 H new ATOM 0 HG LEU C 2 11.389 -1.438 3.836 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.598 0.349 2.284 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.305 -0.804 2.693 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.347 0.798 3.467 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.398 0.825 3.841 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.252 1.319 5.109 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.460 0.056 5.444 1.00 0.00 H new ATOM 1643 N ILE C 3 8.971 2.246 5.718 1.00 0.00 N ATOM 1644 CA ILE C 3 8.080 3.363 5.436 1.00 0.00 C ATOM 1645 C ILE C 3 8.582 4.202 4.275 1.00 0.00 C ATOM 1646 O ILE C 3 9.783 4.266 4.009 1.00 0.00 O ATOM 1647 CB ILE C 3 7.964 4.210 6.710 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.475 3.317 7.852 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.019 5.405 6.547 1.00 0.00 C ATOM 1650 CD1 ILE C 3 7.606 4.015 9.198 1.00 0.00 C ATOM 0 H ILE C 3 9.942 2.514 5.875 1.00 0.00 H new ATOM 0 HA ILE C 3 7.102 2.982 5.144 1.00 0.00 H new ATOM 0 HB ILE C 3 8.951 4.618 6.928 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.434 3.044 7.682 1.00 0.00 H new ATOM 0 HG13 ILE C 3 8.050 2.391 7.863 1.00 0.00 H new ATOM 0 HG21 ILE C 3 6.978 5.966 7.481 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.385 6.052 5.750 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.021 5.048 6.294 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.250 3.353 9.987 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.652 4.265 9.378 1.00 0.00 H new ATOM 0 HD13 ILE C 3 7.010 4.928 9.194 1.00 0.00 H new ATOM 1662 N LEU C 4 7.629 4.847 3.603 1.00 0.00 N ATOM 1663 CA LEU C 4 7.871 5.687 2.447 1.00 0.00 C ATOM 1664 C LEU C 4 6.897 6.858 2.462 1.00 0.00 C ATOM 1665 O LEU C 4 5.842 6.793 3.096 1.00 0.00 O ATOM 1666 CB LEU C 4 7.647 4.865 1.174 1.00 0.00 C ATOM 1667 CG LEU C 4 8.636 3.708 1.023 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.248 2.886 -0.199 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.057 4.226 0.806 1.00 0.00 C ATOM 0 H LEU C 4 6.643 4.793 3.860 1.00 0.00 H new ATOM 0 HA LEU C 4 8.895 6.060 2.472 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.632 4.468 1.179 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.729 5.520 0.307 1.00 0.00 H new ATOM 0 HG LEU C 4 8.605 3.110 1.934 1.00 0.00 H new ATOM 0 HD11 LEU C 4 8.947 2.058 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.239 2.494 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.280 3.517 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.740 3.383 0.702 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.089 4.833 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.358 4.833 1.660 1.00 0.00 H new ATOM 1681 N THR C 5 7.258 7.931 1.759 1.00 0.00 N ATOM 1682 CA THR C 5 6.383 9.077 1.568 1.00 0.00 C ATOM 1683 C THR C 5 6.307 9.307 0.067 1.00 0.00 C ATOM 1684 O THR C 5 7.335 9.489 -0.587 1.00 0.00 O ATOM 1685 CB THR C 5 6.916 10.306 2.306 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.046 10.018 3.681 1.00 0.00 O ATOM 1687 CG2 THR C 5 5.954 11.484 2.158 1.00 0.00 C ATOM 0 H THR C 5 8.167 8.026 1.307 1.00 0.00 H new ATOM 0 HA THR C 5 5.391 8.893 1.980 1.00 0.00 H new ATOM 0 HB THR C 5 7.883 10.564 1.875 1.00 0.00 H new ATOM 0 HG1 THR C 5 7.389 10.807 4.150 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.352 12.348 2.690 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.839 11.730 1.102 1.00 0.00 H new ATOM 0 HG23 THR C 5 4.984 11.216 2.576 1.00 0.00 H new ATOM 1695 N ARG C 6 5.092 9.297 -0.480 1.00 0.00 N ATOM 1696 CA ARG C 6 4.882 9.327 -1.920 1.00 0.00 C ATOM 1697 C ARG C 6 3.833 10.366 -2.275 1.00 0.00 C ATOM 1698 O ARG C 6 3.356 11.076 -1.397 1.00 0.00 O ATOM 1699 CB ARG C 6 4.455 7.937 -2.406 1.00 0.00 C ATOM 1700 CG ARG C 6 5.276 6.832 -1.745 1.00 0.00 C ATOM 1701 CD ARG C 6 4.969 5.498 -2.417 1.00 0.00 C ATOM 1702 NE ARG C 6 3.527 5.229 -2.506 1.00 0.00 N ATOM 1703 CZ ARG C 6 2.861 4.371 -1.726 1.00 0.00 C ATOM 1704 NH1 ARG C 6 3.467 3.741 -0.727 1.00 0.00 N ATOM 1705 NH2 ARG C 6 1.571 4.139 -1.949 1.00 0.00 N ATOM 0 H ARG C 6 4.230 9.268 0.064 1.00 0.00 H new ATOM 0 HA ARG C 6 5.813 9.601 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.398 7.784 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG C 6 4.570 7.878 -3.488 1.00 0.00 H new ATOM 0 HG2 ARG C 6 6.340 7.056 -1.827 1.00 0.00 H new ATOM 0 HG3 ARG C 6 5.043 6.778 -0.682 1.00 0.00 H new ATOM 0 HD2 ARG C 6 5.398 5.493 -3.419 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.451 4.695 -1.859 1.00 0.00 H new ATOM 0 HE ARG C 6 2.995 5.734 -3.215 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.456 3.908 -0.544 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.943 3.090 -0.142 1.00 0.00 H new ATOM 0 HH21 ARG C 6 1.092 4.615 -2.713 1.00 0.00 H new ATOM 0 HH22 ARG C 6 1.060 3.485 -1.356 1.00 0.00 H new ATOM 1719 N LYS C 7 3.465 10.456 -3.554 1.00 0.00 N ATOM 1720 CA LYS C 7 2.395 11.347 -3.982 1.00 0.00 C ATOM 1721 C LYS C 7 1.419 10.617 -4.880 1.00 0.00 C ATOM 1722 O LYS C 7 1.744 9.568 -5.432 1.00 0.00 O ATOM 1723 CB LYS C 7 2.953 12.578 -4.689 1.00 0.00 C ATOM 1724 CG LYS C 7 3.654 12.252 -6.012 1.00 0.00 C ATOM 1725 CD LYS C 7 3.926 13.525 -6.812 1.00 0.00 C ATOM 1726 CE LYS C 7 4.631 14.571 -5.946 1.00 0.00 C ATOM 1727 NZ LYS C 7 4.997 15.765 -6.730 1.00 0.00 N ATOM 0 H LYS C 7 3.895 9.921 -4.309 1.00 0.00 H new ATOM 0 HA LYS C 7 1.863 11.682 -3.091 1.00 0.00 H new ATOM 0 HB2 LYS C 7 2.140 13.279 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS C 7 3.658 13.080 -4.027 1.00 0.00 H new ATOM 0 HG2 LYS C 7 4.593 11.735 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS C 7 3.035 11.574 -6.599 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.542 13.290 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS C 7 2.987 13.931 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS C 7 3.979 14.861 -5.122 1.00 0.00 H new ATOM 0 HE3 LYS C 7 5.528 14.135 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 5.473 16.453 -6.112 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.638 15.491 -7.501 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.138 16.194 -7.130 1.00 0.00 H new ATOM 1741 N VAL C 8 0.220 11.176 -5.026 1.00 0.00 N ATOM 1742 CA VAL C 8 -0.793 10.552 -5.859 1.00 0.00 C ATOM 1743 C VAL C 8 -0.276 10.345 -7.277 1.00 0.00 C ATOM 1744 O VAL C 8 0.010 11.299 -8.001 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.106 11.326 -5.791 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.525 11.357 -4.323 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.040 12.761 -6.302 1.00 0.00 C ATOM 0 H VAL C 8 -0.067 12.049 -4.583 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.012 9.557 -5.471 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.813 10.816 -6.445 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.463 11.903 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.658 10.338 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -1.753 11.853 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.022 13.225 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.317 13.324 -5.712 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.734 12.761 -7.348 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.161 9.072 -7.658 1.00 0.00 N ATOM 1758 CA GLY C 9 0.343 8.668 -8.962 1.00 0.00 C ATOM 1759 C GLY C 9 1.589 7.784 -8.873 1.00 0.00 C ATOM 1760 O GLY C 9 1.913 7.101 -9.844 1.00 0.00 O ATOM 0 H GLY C 9 -0.419 8.287 -7.060 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -0.440 8.131 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY C 9 0.576 9.558 -9.547 1.00 0.00 H new ATOM 1764 N GLU C 10 2.295 7.781 -7.738 1.00 0.00 N ATOM 1765 CA GLU C 10 3.491 6.959 -7.579 1.00 0.00 C ATOM 1766 C GLU C 10 3.141 5.475 -7.439 1.00 0.00 C ATOM 1767 O GLU C 10 1.972 5.116 -7.278 1.00 0.00 O ATOM 1768 CB GLU C 10 4.306 7.403 -6.355 1.00 0.00 C ATOM 1769 CG GLU C 10 4.936 8.781 -6.553 1.00 0.00 C ATOM 1770 CD GLU C 10 6.151 8.963 -5.645 1.00 0.00 C ATOM 1771 OE1 GLU C 10 7.137 8.213 -5.824 1.00 0.00 O ATOM 1772 OE2 GLU C 10 6.085 9.859 -4.776 1.00 0.00 O ATOM 0 H GLU C 10 2.056 8.339 -6.918 1.00 0.00 H new ATOM 0 HA GLU C 10 4.089 7.094 -8.480 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.660 7.423 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU C 10 5.090 6.672 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU C 10 5.234 8.902 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU C 10 4.199 9.556 -6.340 1.00 0.00 H new ATOM 1779 N SER C 11 4.166 4.616 -7.495 1.00 0.00 N ATOM 1780 CA SER C 11 4.013 3.171 -7.390 1.00 0.00 C ATOM 1781 C SER C 11 5.158 2.573 -6.584 1.00 0.00 C ATOM 1782 O SER C 11 6.231 3.170 -6.495 1.00 0.00 O ATOM 1783 CB SER C 11 3.981 2.543 -8.783 1.00 0.00 C ATOM 1784 OG SER C 11 2.858 3.005 -9.503 1.00 0.00 O ATOM 0 H SER C 11 5.134 4.914 -7.616 1.00 0.00 H new ATOM 0 HA SER C 11 3.073 2.959 -6.880 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.895 2.792 -9.323 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.946 1.457 -8.699 1.00 0.00 H new ATOM 0 HG SER C 11 2.079 2.451 -9.286 1.00 0.00 H new ATOM 1790 N ILE C 12 4.919 1.395 -6.002 1.00 0.00 N ATOM 1791 CA ILE C 12 5.814 0.705 -5.078 1.00 0.00 C ATOM 1792 C ILE C 12 5.778 -0.794 -5.390 1.00 0.00 C ATOM 1793 O ILE C 12 4.842 -1.264 -6.034 1.00 0.00 O ATOM 1794 CB ILE C 12 5.347 0.993 -3.642 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.452 2.485 -3.300 1.00 0.00 C ATOM 1796 CG2 ILE C 12 6.125 0.185 -2.601 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.879 3.024 -3.425 1.00 0.00 C ATOM 0 H ILE C 12 4.058 0.876 -6.171 1.00 0.00 H new ATOM 0 HA ILE C 12 6.841 1.053 -5.184 1.00 0.00 H new ATOM 0 HB ILE C 12 4.301 0.688 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.796 3.051 -3.961 1.00 0.00 H new ATOM 0 HG13 ILE C 12 5.096 2.646 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.756 0.426 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE C 12 5.989 -0.880 -2.791 1.00 0.00 H new ATOM 0 HG23 ILE C 12 7.184 0.433 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.891 4.084 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE C 12 7.534 2.480 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE C 12 7.229 2.892 -4.449 1.00 0.00 H new ATOM 1809 N ASN C 13 6.786 -1.550 -4.945 1.00 0.00 N ATOM 1810 CA ASN C 13 6.895 -2.967 -5.271 1.00 0.00 C ATOM 1811 C ASN C 13 7.062 -3.820 -4.017 1.00 0.00 C ATOM 1812 O ASN C 13 7.629 -3.369 -3.019 1.00 0.00 O ATOM 1813 CB ASN C 13 8.082 -3.164 -6.211 1.00 0.00 C ATOM 1814 CG ASN C 13 7.934 -2.315 -7.463 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.557 -1.265 -7.579 1.00 0.00 O ATOM 1816 ND2 ASN C 13 7.110 -2.756 -8.409 1.00 0.00 N ATOM 0 H ASN C 13 7.540 -1.198 -4.355 1.00 0.00 H new ATOM 0 HA ASN C 13 5.975 -3.289 -5.758 1.00 0.00 H new ATOM 0 HB2 ASN C 13 9.006 -2.900 -5.696 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.160 -4.215 -6.488 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.980 -2.216 -9.265 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.608 -3.634 -8.279 1.00 0.00 H new ATOM 1823 N ILE C 14 6.563 -5.060 -4.091 1.00 0.00 N ATOM 1824 CA ILE C 14 6.630 -6.037 -3.013 1.00 0.00 C ATOM 1825 C ILE C 14 6.909 -7.414 -3.613 1.00 0.00 C ATOM 1826 O ILE C 14 6.273 -7.810 -4.593 1.00 0.00 O ATOM 1827 CB ILE C 14 5.308 -6.062 -2.232 1.00 0.00 C ATOM 1828 CG1 ILE C 14 4.988 -4.670 -1.668 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.376 -7.099 -1.106 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.659 -4.639 -0.910 1.00 0.00 C ATOM 0 H ILE C 14 6.092 -5.414 -4.924 1.00 0.00 H new ATOM 0 HA ILE C 14 7.429 -5.765 -2.324 1.00 0.00 H new ATOM 0 HB ILE C 14 4.507 -6.345 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.791 -4.358 -1.000 1.00 0.00 H new ATOM 0 HG13 ILE C 14 4.954 -3.949 -2.485 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.432 -7.106 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.557 -8.086 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.187 -6.843 -0.424 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.479 -3.633 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.850 -4.923 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.700 -5.339 -0.075 1.00 0.00 H new ATOM 1842 N GLY C 15 7.853 -8.151 -3.022 1.00 0.00 N ATOM 1843 CA GLY C 15 8.222 -9.469 -3.513 1.00 0.00 C ATOM 1844 C GLY C 15 8.627 -9.405 -4.986 1.00 0.00 C ATOM 1845 O GLY C 15 9.222 -8.424 -5.433 1.00 0.00 O ATOM 0 H GLY C 15 8.375 -7.850 -2.199 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.047 -9.865 -2.921 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.384 -10.155 -3.391 1.00 0.00 H new ATOM 1849 N ASP C 16 8.298 -10.459 -5.734 1.00 0.00 N ATOM 1850 CA ASP C 16 8.545 -10.532 -7.165 1.00 0.00 C ATOM 1851 C ASP C 16 7.247 -10.824 -7.922 1.00 0.00 C ATOM 1852 O ASP C 16 7.284 -11.204 -9.092 1.00 0.00 O ATOM 1853 CB ASP C 16 9.650 -11.558 -7.461 1.00 0.00 C ATOM 1854 CG ASP C 16 9.250 -12.990 -7.112 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.061 -13.261 -5.904 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.139 -13.805 -8.056 1.00 0.00 O ATOM 0 H ASP C 16 7.848 -11.292 -5.354 1.00 0.00 H new ATOM 0 HA ASP C 16 8.902 -9.565 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.910 -11.508 -8.518 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.545 -11.291 -6.900 1.00 0.00 H new ATOM 1861 N ASP C 17 6.101 -10.644 -7.255 1.00 0.00 N ATOM 1862 CA ASP C 17 4.794 -10.901 -7.845 1.00 0.00 C ATOM 1863 C ASP C 17 3.778 -9.808 -7.503 1.00 0.00 C ATOM 1864 O ASP C 17 2.619 -9.929 -7.903 1.00 0.00 O ATOM 1865 CB ASP C 17 4.262 -12.255 -7.369 1.00 0.00 C ATOM 1866 CG ASP C 17 5.134 -13.419 -7.825 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.135 -13.700 -9.043 1.00 0.00 O ATOM 1868 OD2 ASP C 17 5.797 -14.020 -6.948 1.00 0.00 O ATOM 0 H ASP C 17 6.060 -10.316 -6.290 1.00 0.00 H new ATOM 0 HA ASP C 17 4.925 -10.908 -8.927 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.201 -12.255 -6.281 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.249 -12.396 -7.745 1.00 0.00 H new ATOM 1873 N ILE C 18 4.164 -8.747 -6.780 1.00 0.00 N ATOM 1874 CA ILE C 18 3.199 -7.725 -6.386 1.00 0.00 C ATOM 1875 C ILE C 18 3.739 -6.317 -6.637 1.00 0.00 C ATOM 1876 O ILE C 18 4.938 -6.062 -6.539 1.00 0.00 O ATOM 1877 CB ILE C 18 2.812 -7.891 -4.906 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.303 -9.301 -4.587 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.722 -6.884 -4.530 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.440 -10.159 -4.026 1.00 0.00 C ATOM 0 H ILE C 18 5.119 -8.580 -6.464 1.00 0.00 H new ATOM 0 HA ILE C 18 2.309 -7.857 -7.002 1.00 0.00 H new ATOM 0 HB ILE C 18 3.718 -7.715 -4.326 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.488 -9.247 -3.865 1.00 0.00 H new ATOM 0 HG13 ILE C 18 1.900 -9.763 -5.488 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.456 -7.011 -3.481 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.091 -5.871 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.842 -7.052 -5.150 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.066 -11.158 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.241 -10.227 -4.762 1.00 0.00 H new ATOM 0 HD13 ILE C 18 3.823 -9.703 -3.113 1.00 0.00 H new ATOM 1892 N THR C 19 2.817 -5.409 -6.960 1.00 0.00 N ATOM 1893 CA THR C 19 3.078 -3.990 -7.151 1.00 0.00 C ATOM 1894 C THR C 19 1.906 -3.214 -6.559 1.00 0.00 C ATOM 1895 O THR C 19 0.794 -3.736 -6.466 1.00 0.00 O ATOM 1896 CB THR C 19 3.262 -3.702 -8.649 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.399 -4.393 -9.119 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.457 -2.215 -8.936 1.00 0.00 C ATOM 0 H THR C 19 1.837 -5.654 -7.099 1.00 0.00 H new ATOM 0 HA THR C 19 3.994 -3.682 -6.647 1.00 0.00 H new ATOM 0 HB THR C 19 2.355 -4.033 -9.155 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.519 -4.213 -10.075 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.582 -2.065 -10.008 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.584 -1.660 -8.592 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.344 -1.857 -8.413 1.00 0.00 H new ATOM 1906 N ILE C 20 2.152 -1.964 -6.162 1.00 0.00 N ATOM 1907 CA ILE C 20 1.175 -1.111 -5.496 1.00 0.00 C ATOM 1908 C ILE C 20 1.202 0.267 -6.141 1.00 0.00 C ATOM 1909 O ILE C 20 2.246 0.698 -6.625 1.00 0.00 O ATOM 1910 CB ILE C 20 1.532 -1.005 -4.002 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.612 -2.375 -3.315 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.539 -0.104 -3.261 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.258 -3.077 -3.210 1.00 0.00 C ATOM 0 H ILE C 20 3.055 -1.510 -6.299 1.00 0.00 H new ATOM 0 HA ILE C 20 0.175 -1.534 -5.593 1.00 0.00 H new ATOM 0 HB ILE C 20 2.525 -0.557 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.302 -3.012 -3.869 1.00 0.00 H new ATOM 0 HG13 ILE C 20 2.027 -2.249 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.815 -0.047 -2.208 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.560 0.895 -3.696 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.465 -0.518 -3.351 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.385 -4.040 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.428 -2.459 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.149 -3.234 -4.209 1.00 0.00 H new ATOM 1925 N THR C 21 0.063 0.966 -6.152 1.00 0.00 N ATOM 1926 CA THR C 21 -0.039 2.290 -6.754 1.00 0.00 C ATOM 1927 C THR C 21 -1.019 3.146 -5.963 1.00 0.00 C ATOM 1928 O THR C 21 -2.110 2.693 -5.620 1.00 0.00 O ATOM 1929 CB THR C 21 -0.530 2.149 -8.198 1.00 0.00 C ATOM 1930 OG1 THR C 21 0.309 1.278 -8.925 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.547 3.499 -8.915 1.00 0.00 C ATOM 0 H THR C 21 -0.809 0.628 -5.744 1.00 0.00 H new ATOM 0 HA THR C 21 0.940 2.769 -6.743 1.00 0.00 H new ATOM 0 HB THR C 21 -1.543 1.748 -8.152 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.020 1.199 -9.845 1.00 0.00 H new ATOM 0 HG21 THR C 21 -0.900 3.364 -9.937 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.213 4.182 -8.388 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.460 3.915 -8.931 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.637 4.392 -5.672 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.502 5.341 -4.990 1.00 0.00 C ATOM 1941 C ILE C 22 -2.288 6.092 -6.063 1.00 0.00 C ATOM 1942 O ILE C 22 -1.778 7.030 -6.675 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.669 6.264 -4.076 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.457 7.492 -3.608 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.618 6.749 -4.749 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.683 7.089 -2.808 1.00 0.00 C ATOM 0 H ILE C 22 0.283 4.766 -5.905 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.210 4.842 -4.329 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.416 5.647 -3.214 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -0.815 8.128 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.762 8.082 -4.472 1.00 0.00 H new ATOM 0 HG21 ILE C 22 1.166 7.395 -4.063 1.00 0.00 H new ATOM 0 HG22 ILE C 22 1.236 5.891 -5.012 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.369 7.307 -5.651 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.220 7.983 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.336 6.474 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.374 6.521 -1.931 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.537 5.681 -6.303 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.317 6.236 -7.403 1.00 0.00 C ATOM 1960 C LEU C 23 -4.762 7.660 -7.074 1.00 0.00 C ATOM 1961 O LEU C 23 -4.993 8.462 -7.976 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.534 5.349 -7.719 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.342 3.862 -7.404 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.643 3.123 -7.693 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.229 3.243 -8.241 1.00 0.00 C ATOM 0 H LEU C 23 -4.022 4.972 -5.753 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.683 6.265 -8.289 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.391 5.718 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.778 5.454 -8.776 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.065 3.774 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.516 2.063 -7.472 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.439 3.531 -7.070 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -6.905 3.245 -8.744 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.126 2.188 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.473 3.339 -9.299 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.291 3.759 -8.037 1.00 0.00 H new ATOM 1977 N GLY C 24 -4.878 7.977 -5.781 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.186 9.328 -5.323 1.00 0.00 C ATOM 1979 C GLY C 24 -5.816 9.319 -3.935 1.00 0.00 C ATOM 1980 O GLY C 24 -5.851 8.282 -3.276 1.00 0.00 O ATOM 0 H GLY C 24 -4.760 7.302 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.273 9.924 -5.305 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.865 9.806 -6.029 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.310 10.479 -3.489 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.003 10.580 -2.208 1.00 0.00 C ATOM 1986 C VAL C 25 -8.405 11.152 -2.410 1.00 0.00 C ATOM 1987 O VAL C 25 -8.750 11.615 -3.495 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.197 11.388 -1.181 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.710 11.030 -1.229 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.357 12.893 -1.383 1.00 0.00 C ATOM 0 H VAL C 25 -6.241 11.359 -3.999 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.102 9.576 -1.796 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.599 11.123 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.170 11.621 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.584 9.970 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.316 11.244 -2.222 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.770 13.425 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -6.008 13.166 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.408 13.164 -1.280 1.00 0.00 H new ATOM 2000 N SER C 26 -9.208 11.113 -1.344 1.00 0.00 N ATOM 2001 CA SER C 26 -10.598 11.550 -1.351 1.00 0.00 C ATOM 2002 C SER C 26 -10.952 12.120 0.015 1.00 0.00 C ATOM 2003 O SER C 26 -12.006 11.824 0.570 1.00 0.00 O ATOM 2004 CB SER C 26 -11.492 10.358 -1.685 1.00 0.00 C ATOM 2005 OG SER C 26 -11.563 10.169 -3.080 1.00 0.00 O ATOM 0 H SER C 26 -8.899 10.769 -0.435 1.00 0.00 H new ATOM 0 HA SER C 26 -10.747 12.326 -2.102 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.101 9.458 -1.210 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.492 10.522 -1.283 1.00 0.00 H new ATOM 0 HG SER C 26 -10.796 10.604 -3.508 1.00 0.00 H new ATOM 2011 N GLY C 27 -10.061 12.947 0.560 1.00 0.00 N ATOM 2012 CA GLY C 27 -10.181 13.438 1.917 1.00 0.00 C ATOM 2013 C GLY C 27 -9.161 12.698 2.765 1.00 0.00 C ATOM 2014 O GLY C 27 -8.047 12.424 2.310 1.00 0.00 O ATOM 0 H GLY C 27 -9.238 13.291 0.066 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -10.001 14.512 1.953 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -11.189 13.271 2.297 1.00 0.00 H new ATOM 2018 N GLN C 28 -9.539 12.372 3.998 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.697 11.571 4.868 1.00 0.00 C ATOM 2020 C GLN C 28 -8.727 10.093 4.487 1.00 0.00 C ATOM 2021 O GLN C 28 -8.123 9.276 5.179 1.00 0.00 O ATOM 2022 CB GLN C 28 -9.104 11.797 6.321 1.00 0.00 C ATOM 2023 CG GLN C 28 -8.277 12.942 6.898 1.00 0.00 C ATOM 2024 CD GLN C 28 -8.480 14.224 6.093 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -9.394 14.991 6.367 1.00 0.00 O ATOM 2026 NE2 GLN C 28 -7.624 14.457 5.098 1.00 0.00 N ATOM 0 H GLN C 28 -10.427 12.653 4.414 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.662 11.891 4.744 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -10.167 12.033 6.382 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.945 10.888 6.902 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -8.560 13.112 7.937 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -7.221 12.670 6.896 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -6.876 13.792 4.903 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -7.717 15.300 4.532 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.420 9.735 3.398 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.318 8.393 2.848 1.00 0.00 C ATOM 2037 C GLN C 29 -8.390 8.436 1.640 1.00 0.00 C ATOM 2038 O GLN C 29 -8.249 9.472 0.988 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.691 7.813 2.486 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.362 8.555 1.337 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.795 8.069 1.141 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -13.589 8.069 2.074 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.133 7.649 -0.074 1.00 0.00 N ATOM 0 H GLN C 29 -10.050 10.356 2.890 1.00 0.00 H new ATOM 0 HA GLN C 29 -8.904 7.727 3.604 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.577 6.763 2.217 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.338 7.849 3.363 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.361 9.626 1.540 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.793 8.404 0.419 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -12.446 7.663 -0.828 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.079 7.313 -0.252 1.00 0.00 H new ATOM 2052 N VAL C 30 -7.759 7.305 1.354 1.00 0.00 N ATOM 2053 CA VAL C 30 -6.730 7.207 0.339 1.00 0.00 C ATOM 2054 C VAL C 30 -7.042 6.018 -0.554 1.00 0.00 C ATOM 2055 O VAL C 30 -7.174 4.898 -0.058 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.381 7.037 1.047 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.243 6.945 0.045 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.100 8.234 1.960 1.00 0.00 C ATOM 0 H VAL C 30 -7.953 6.423 1.828 1.00 0.00 H new ATOM 0 HA VAL C 30 -6.691 8.101 -0.283 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.439 6.117 1.628 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.299 6.825 0.577 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.403 6.088 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.210 7.856 -0.552 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.138 8.097 2.455 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.075 9.147 1.365 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -5.886 8.311 2.711 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.158 6.254 -1.867 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.516 5.210 -2.815 1.00 0.00 C ATOM 2070 C ARG C 31 -6.232 4.617 -3.374 1.00 0.00 C ATOM 2071 O ARG C 31 -5.422 5.315 -3.983 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.393 5.790 -3.925 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.003 4.651 -4.752 1.00 0.00 C ATOM 2074 CD ARG C 31 -9.855 5.199 -5.900 1.00 0.00 C ATOM 2075 NE ARG C 31 -10.997 5.981 -5.408 1.00 0.00 N ATOM 2076 CZ ARG C 31 -12.024 6.370 -6.167 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -12.086 6.051 -7.456 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -13.011 7.088 -5.630 1.00 0.00 N ATOM 0 H ARG C 31 -7.006 7.169 -2.292 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.090 4.424 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.184 6.403 -3.493 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -7.800 6.441 -4.567 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.208 4.022 -5.153 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.616 4.019 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -9.237 5.824 -6.544 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -10.217 4.372 -6.511 1.00 0.00 H new ATOM 0 HE ARG C 31 -11.006 6.244 -4.422 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -11.341 5.500 -7.881 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -12.879 6.357 -8.020 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -12.980 7.339 -4.642 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -13.797 7.387 -6.207 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.057 3.315 -3.156 1.00 0.00 N ATOM 2093 CA ILE C 32 -4.830 2.614 -3.488 1.00 0.00 C ATOM 2094 C ILE C 32 -5.185 1.374 -4.295 1.00 0.00 C ATOM 2095 O ILE C 32 -6.167 0.695 -4.000 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.097 2.234 -2.190 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -3.821 3.491 -1.354 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -2.786 1.506 -2.508 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.197 3.165 0.001 1.00 0.00 C ATOM 0 H ILE C 32 -6.772 2.717 -2.741 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.171 3.248 -4.081 1.00 0.00 H new ATOM 0 HB ILE C 32 -4.732 1.561 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.155 4.153 -1.908 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.754 4.033 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.280 1.244 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.001 0.598 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.143 2.157 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.022 4.089 0.553 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -3.873 2.526 0.569 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.250 2.647 -0.150 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.376 1.083 -5.314 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.564 -0.070 -6.166 1.00 0.00 C ATOM 2113 C GLY C 33 -3.486 -1.097 -5.872 1.00 0.00 C ATOM 2114 O GLY C 33 -2.423 -0.767 -5.339 1.00 0.00 O ATOM 0 H GLY C 33 -3.568 1.652 -5.566 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.550 -0.503 -5.997 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.522 0.228 -7.214 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.768 -2.345 -6.229 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.881 -3.458 -5.976 1.00 0.00 C ATOM 2120 C ILE C 34 -2.813 -4.277 -7.250 1.00 0.00 C ATOM 2121 O ILE C 34 -3.789 -4.380 -7.991 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.407 -4.278 -4.790 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.544 -3.380 -3.554 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.466 -5.444 -4.480 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.212 -4.101 -2.382 1.00 0.00 C ATOM 0 H ILE C 34 -4.630 -2.608 -6.707 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.879 -3.123 -5.709 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.385 -4.681 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.557 -3.033 -3.249 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.127 -2.496 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.857 -6.013 -3.636 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.392 -6.094 -5.352 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.478 -5.058 -4.230 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.286 -3.423 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.211 -4.425 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.617 -4.970 -2.102 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.644 -4.859 -7.498 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.374 -5.563 -8.732 1.00 0.00 C ATOM 2139 C ASN C 35 -0.611 -6.841 -8.418 1.00 0.00 C ATOM 2140 O ASN C 35 0.617 -6.852 -8.348 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.594 -4.646 -9.676 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.362 -5.284 -11.039 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -0.911 -6.337 -11.356 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.464 -4.645 -11.862 1.00 0.00 N ATOM 0 H ASN C 35 -0.861 -4.852 -6.844 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.303 -5.840 -9.231 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.139 -3.711 -9.803 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.367 -4.397 -9.226 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.658 -5.027 -12.788 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.903 -3.773 -11.568 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.371 -7.916 -8.226 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.843 -9.224 -7.885 1.00 0.00 C ATOM 2153 C ALA C 36 -1.661 -10.304 -8.578 1.00 0.00 C ATOM 2154 O ALA C 36 -2.816 -10.072 -8.936 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.943 -9.414 -6.371 1.00 0.00 C ATOM 0 H ALA C 36 -2.388 -7.897 -8.306 1.00 0.00 H new ATOM 0 HA ALA C 36 0.196 -9.296 -8.207 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.549 -10.394 -6.100 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.365 -8.639 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -1.987 -9.345 -6.064 1.00 0.00 H new ATOM 2161 N PRO C 37 -1.075 -11.489 -8.773 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.797 -12.649 -9.239 1.00 0.00 C ATOM 2163 C PRO C 37 -2.788 -13.084 -8.171 1.00 0.00 C ATOM 2164 O PRO C 37 -2.607 -12.798 -6.991 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.731 -13.719 -9.469 1.00 0.00 C ATOM 2166 CG PRO C 37 0.420 -13.315 -8.545 1.00 0.00 C ATOM 2167 CD PRO C 37 0.326 -11.799 -8.547 1.00 0.00 C ATOM 0 HA PRO C 37 -2.365 -12.459 -10.149 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -1.106 -14.713 -9.225 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.413 -13.746 -10.511 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.300 -13.728 -7.543 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.383 -13.662 -8.920 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.670 -11.385 -7.599 1.00 0.00 H new ATOM 0 HD3 PRO C 37 0.952 -11.370 -9.329 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.845 -13.781 -8.582 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.818 -14.347 -7.652 1.00 0.00 C ATOM 2177 C LYS C 38 -4.176 -15.512 -6.906 1.00 0.00 C ATOM 2178 O LYS C 38 -4.789 -16.149 -6.053 1.00 0.00 O ATOM 2179 CB LYS C 38 -6.061 -14.753 -8.431 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.527 -13.526 -9.216 1.00 0.00 C ATOM 2181 CD LYS C 38 -7.667 -13.875 -10.153 1.00 0.00 C ATOM 2182 CE LYS C 38 -9.000 -13.913 -9.395 1.00 0.00 C ATOM 2183 NZ LYS C 38 -10.122 -14.177 -10.315 1.00 0.00 N ATOM 0 H LYS C 38 -4.050 -13.968 -9.563 1.00 0.00 H new ATOM 0 HA LYS C 38 -5.125 -13.617 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.838 -15.579 -9.106 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.844 -15.096 -7.754 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -6.847 -12.748 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -5.694 -13.119 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.721 -13.141 -10.957 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -7.479 -14.843 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.964 -14.686 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -9.159 -12.964 -8.884 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -11.013 -14.198 -9.779 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -10.167 -13.425 -11.032 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.978 -15.094 -10.784 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.915 -15.767 -7.257 1.00 0.00 N ATOM 2198 CA ASP C 39 -2.025 -16.699 -6.590 1.00 0.00 C ATOM 2199 C ASP C 39 -1.739 -16.244 -5.159 1.00 0.00 C ATOM 2200 O ASP C 39 -1.197 -17.005 -4.359 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.710 -16.746 -7.366 1.00 0.00 C ATOM 2202 CG ASP C 39 0.072 -18.023 -7.064 1.00 0.00 C ATOM 2203 OD1 ASP C 39 -0.485 -19.116 -7.317 1.00 0.00 O ATOM 2204 OD2 ASP C 39 1.221 -17.895 -6.583 1.00 0.00 O ATOM 0 H ASP C 39 -2.473 -15.305 -8.051 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.495 -17.682 -6.556 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.915 -16.688 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -0.104 -15.877 -7.110 1.00 0.00 H new ATOM 2209 N VAL C 40 -2.110 -14.999 -4.841 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.937 -14.411 -3.519 1.00 0.00 C ATOM 2211 C VAL C 40 -3.209 -13.667 -3.140 1.00 0.00 C ATOM 2212 O VAL C 40 -4.014 -13.319 -4.006 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.721 -13.470 -3.481 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.513 -14.165 -4.066 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.961 -12.184 -4.262 1.00 0.00 C ATOM 0 H VAL C 40 -2.546 -14.365 -5.511 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.750 -15.206 -2.797 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.558 -13.218 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.364 -13.485 -4.031 1.00 0.00 H new ATOM 0 HG12 VAL C 40 0.738 -15.058 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.316 -14.447 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.074 -11.553 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.169 -12.425 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.812 -11.653 -3.836 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.397 -13.416 -1.841 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.604 -12.780 -1.356 1.00 0.00 C ATOM 2227 C ALA C 41 -4.318 -11.335 -0.956 1.00 0.00 C ATOM 2228 O ALA C 41 -3.238 -11.036 -0.450 1.00 0.00 O ATOM 2229 CB ALA C 41 -5.110 -13.580 -0.153 1.00 0.00 C ATOM 0 H ALA C 41 -2.721 -13.648 -1.113 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.362 -12.763 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -6.020 -13.121 0.232 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.322 -14.604 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.348 -13.585 0.627 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.288 -10.442 -1.185 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.172 -9.050 -0.773 1.00 0.00 C ATOM 2237 C VAL C 42 -6.538 -8.551 -0.319 1.00 0.00 C ATOM 2238 O VAL C 42 -7.521 -8.681 -1.044 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.616 -8.178 -1.909 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.219 -8.642 -2.316 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.488 -8.199 -3.162 1.00 0.00 C ATOM 0 H VAL C 42 -6.164 -10.667 -1.656 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.468 -8.981 0.057 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.595 -7.164 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.846 -8.010 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.548 -8.572 -1.460 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.264 -9.676 -2.658 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.041 -7.564 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.563 -9.220 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.484 -7.828 -2.919 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.616 -7.979 0.887 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.874 -7.460 1.404 1.00 0.00 C ATOM 2253 C HIS C 43 -7.645 -6.381 2.453 1.00 0.00 C ATOM 2254 O HIS C 43 -6.518 -6.167 2.904 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.706 -8.572 2.060 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.717 -9.901 1.352 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.704 -10.331 0.466 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.767 -10.875 1.479 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.329 -11.561 0.085 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.173 -11.912 0.675 1.00 0.00 N ATOM 0 H HIS C 43 -5.822 -7.867 1.517 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.405 -7.042 0.549 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.333 -8.727 3.073 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.735 -8.223 2.149 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.535 -9.819 0.170 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.876 -10.837 2.089 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.881 -12.185 -0.603 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.730 -5.701 2.835 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.742 -4.792 3.969 1.00 0.00 C ATOM 2270 C ARG C 44 -8.736 -5.612 5.251 1.00 0.00 C ATOM 2271 O ARG C 44 -9.136 -6.774 5.236 1.00 0.00 O ATOM 2272 CB ARG C 44 -10.000 -3.929 3.896 1.00 0.00 C ATOM 2273 CG ARG C 44 -9.894 -2.935 2.746 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.222 -2.233 2.492 1.00 0.00 C ATOM 2275 NE ARG C 44 -12.189 -3.139 1.860 1.00 0.00 N ATOM 2276 CZ ARG C 44 -13.391 -3.445 2.347 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -13.820 -2.952 3.506 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -14.178 -4.263 1.658 1.00 0.00 N ATOM 0 H ARG C 44 -9.629 -5.771 2.357 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.865 -4.145 3.953 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -10.876 -4.563 3.758 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -10.138 -3.395 4.836 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -9.127 -2.194 2.973 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -9.577 -3.455 1.842 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.627 -1.864 3.434 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -11.061 -1.365 1.853 1.00 0.00 H new ATOM 0 HE ARG C 44 -11.919 -3.569 0.976 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -13.224 -2.323 4.045 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -14.745 -3.203 3.856 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -13.860 -4.648 0.769 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -15.101 -4.506 2.018 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.291 -5.022 6.360 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.282 -5.708 7.649 1.00 0.00 C ATOM 2294 C GLU C 45 -9.669 -6.258 7.981 1.00 0.00 C ATOM 2295 O GLU C 45 -9.789 -7.356 8.516 1.00 0.00 O ATOM 2296 CB GLU C 45 -7.839 -4.721 8.728 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.312 -4.644 8.815 1.00 0.00 C ATOM 2298 CD GLU C 45 -5.701 -5.868 9.504 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.471 -6.666 10.086 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -4.460 -5.997 9.446 1.00 0.00 O ATOM 0 H GLU C 45 -7.931 -4.068 6.390 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.589 -6.548 7.604 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.244 -3.733 8.509 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.246 -5.025 9.692 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -5.898 -4.552 7.811 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -6.027 -3.744 9.360 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.725 -5.501 7.671 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.081 -5.918 7.987 1.00 0.00 C ATOM 2309 C GLU C 46 -12.559 -7.097 7.136 1.00 0.00 C ATOM 2310 O GLU C 46 -13.663 -7.589 7.360 1.00 0.00 O ATOM 2311 CB GLU C 46 -13.045 -4.729 7.880 1.00 0.00 C ATOM 2312 CG GLU C 46 -13.052 -4.057 6.501 1.00 0.00 C ATOM 2313 CD GLU C 46 -12.126 -2.841 6.432 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -11.021 -2.892 7.011 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -12.533 -1.850 5.787 1.00 0.00 O ATOM 0 H GLU C 46 -10.660 -4.598 7.202 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.072 -6.274 9.017 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -14.054 -5.070 8.112 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -12.777 -3.988 8.633 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -12.749 -4.783 5.746 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -14.069 -3.749 6.257 1.00 0.00 H new ATOM 2322 N ILE C 47 -11.760 -7.570 6.167 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.038 -8.807 5.437 1.00 0.00 C ATOM 2324 C ILE C 47 -11.001 -9.849 5.851 1.00 0.00 C ATOM 2325 O ILE C 47 -11.327 -11.019 6.037 1.00 0.00 O ATOM 2326 CB ILE C 47 -11.966 -8.579 3.916 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.248 -7.994 3.322 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -11.740 -9.903 3.183 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.591 -6.630 3.905 1.00 0.00 C ATOM 0 H ILE C 47 -10.904 -7.102 5.871 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.045 -9.149 5.676 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.144 -7.876 3.782 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.137 -7.906 2.241 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.075 -8.681 3.502 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.692 -9.721 2.109 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -10.803 -10.349 3.518 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.563 -10.584 3.399 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.509 -6.260 3.449 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -13.731 -6.720 4.982 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -12.778 -5.933 3.701 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.748 -9.413 5.993 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.620 -10.273 6.297 1.00 0.00 C ATOM 2343 C TYR C 48 -8.813 -11.012 7.616 1.00 0.00 C ATOM 2344 O TYR C 48 -8.358 -12.143 7.770 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.371 -9.400 6.366 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.125 -10.166 6.725 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.422 -10.879 5.742 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -5.677 -10.156 8.051 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.257 -11.580 6.090 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.521 -10.862 8.405 1.00 0.00 C ATOM 2351 CZ TYR C 48 -3.798 -11.571 7.422 1.00 0.00 C ATOM 2352 OH TYR C 48 -2.663 -12.244 7.758 1.00 0.00 O ATOM 0 H TYR C 48 -9.492 -8.430 5.896 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.525 -11.029 5.518 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.224 -8.912 5.402 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.528 -8.611 7.102 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.776 -10.888 4.722 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.223 -9.604 8.801 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.711 -12.127 5.335 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.182 -10.864 9.431 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.488 -12.133 8.716 1.00 0.00 H new