USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 62 GLN : amide:sc= -2.4! C(o=-2.7!,f=-2.9!) USER MOD Set 1.2: A 64 GLN : amide:sc= -0.256 K(o=-2.7,f=-11!) USER MOD Set 2.1: A 27 SER OG : rot 32:sc= 1.52 USER MOD Set 2.2: A 29 GLN : amide:sc= -0.195 K(o=3.3,f=0.23) USER MOD Set 2.3: A 30 THR OG1 : rot 72:sc= 1.95 USER MOD Set 3.1: A 13 LYS NZ :NH3+ 165:sc= -0.287! (180deg=-1.34!) USER MOD Set 3.2: A 55 THR OG1 : rot -90:sc= -0.333 USER MOD Set 4.1: A 4 ASN : amide:sc= 0.715 K(o=-2.2,f=-5.4) USER MOD Set 4.2: A 40 ASN : amide:sc= -2.9! C(o=-2.2!,f=-6.1!) USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.119) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -2.12! K(o=-2.1!,f=-3.3) USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= 0.729 (180deg=-0.256!) USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= -0.0164 (180deg=-0.33) USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= 1.35! (180deg=-0.498!) USER MOD Single : A 16 SER OG : rot -102:sc= 0.906 USER MOD Single : A 17 GLN : amide:sc= -0.377 K(o=-0.38,f=-3.9!) USER MOD Single : A 18 SER OG : rot 180:sc= -1.17! USER MOD Single : A 32 ASN : amide:sc= -3.65! C(o=-3.7!,f=-6.5!) USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= 0.264 (180deg=-2!) USER MOD Single : A 37 ASN : amide:sc= -0.677 K(o=-0.68,f=-2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0097 USER MOD Single : A 44 GLN : amide:sc= -0.0776 X(o=-0.078,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 1.01 (180deg=0.948) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.614 3.670 -10.534 1.00 0.00 N ATOM 2 CA MET A 1 0.722 4.576 -9.356 1.00 0.00 C ATOM 3 C MET A 1 1.306 3.801 -8.179 1.00 0.00 C ATOM 4 O MET A 1 2.475 3.963 -7.834 1.00 0.00 O ATOM 5 CB MET A 1 -0.673 5.100 -8.990 1.00 0.00 C ATOM 6 CG MET A 1 -0.579 6.106 -7.837 1.00 0.00 C ATOM 7 SD MET A 1 -2.176 6.201 -6.986 1.00 0.00 S ATOM 8 CE MET A 1 -3.095 7.062 -8.286 1.00 0.00 C ATOM 0 H1 MET A 1 0.216 4.194 -11.340 1.00 0.00 H new ATOM 0 H2 MET A 1 1.558 3.313 -10.785 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.008 2.870 -10.301 1.00 0.00 H new ATOM 0 HA MET A 1 1.372 5.417 -9.594 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.130 5.574 -9.859 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.318 4.269 -8.704 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.200 5.802 -7.138 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.299 7.088 -8.219 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.070 7.364 -7.903 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.539 7.945 -8.601 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.231 6.396 -9.138 1.00 0.00 H new ATOM 18 N ILE A 2 0.475 2.980 -7.554 1.00 0.00 N ATOM 19 CA ILE A 2 0.884 2.201 -6.405 1.00 0.00 C ATOM 20 C ILE A 2 0.880 0.736 -6.774 1.00 0.00 C ATOM 21 O ILE A 2 -0.087 0.246 -7.364 1.00 0.00 O ATOM 22 CB ILE A 2 -0.068 2.451 -5.221 1.00 0.00 C ATOM 23 CG1 ILE A 2 -0.148 3.955 -4.936 1.00 0.00 C ATOM 24 CG2 ILE A 2 0.444 1.728 -3.969 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.252 4.521 -4.718 1.00 0.00 C ATOM 0 H ILE A 2 -0.496 2.839 -7.831 1.00 0.00 H new ATOM 0 HA ILE A 2 1.889 2.500 -6.106 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.056 2.069 -5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.630 4.466 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.763 4.134 -4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.237 1.912 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.498 0.657 -4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.436 2.100 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.185 5.590 -4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.719 4.020 -3.870 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.854 4.358 -5.612 1.00 0.00 H new ATOM 37 N ILE A 3 1.953 0.039 -6.467 1.00 0.00 N ATOM 38 CA ILE A 3 2.033 -1.361 -6.814 1.00 0.00 C ATOM 39 C ILE A 3 1.062 -2.146 -5.947 1.00 0.00 C ATOM 40 O ILE A 3 1.466 -2.917 -5.092 1.00 0.00 O ATOM 41 CB ILE A 3 3.470 -1.884 -6.616 1.00 0.00 C ATOM 42 CG1 ILE A 3 4.470 -0.923 -7.269 1.00 0.00 C ATOM 43 CG2 ILE A 3 3.618 -3.275 -7.254 1.00 0.00 C ATOM 44 CD1 ILE A 3 4.111 -0.704 -8.743 1.00 0.00 C ATOM 0 H ILE A 3 2.770 0.413 -5.985 1.00 0.00 H new ATOM 0 HA ILE A 3 1.767 -1.488 -7.863 1.00 0.00 H new ATOM 0 HB ILE A 3 3.672 -1.952 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.466 0.031 -6.741 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.479 -1.328 -7.189 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.636 -3.635 -7.109 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.918 -3.967 -6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.405 -3.210 -8.321 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.829 -0.020 -9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.138 -1.658 -9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.110 -0.279 -8.814 1.00 0.00 H new ATOM 56 N ASN A 4 -0.223 -1.968 -6.202 1.00 0.00 N ATOM 57 CA ASN A 4 -1.281 -2.647 -5.440 1.00 0.00 C ATOM 58 C ASN A 4 -1.234 -4.161 -5.656 1.00 0.00 C ATOM 59 O ASN A 4 -2.249 -4.848 -5.546 1.00 0.00 O ATOM 60 CB ASN A 4 -2.662 -2.104 -5.847 1.00 0.00 C ATOM 61 CG ASN A 4 -2.815 -0.641 -5.435 1.00 0.00 C ATOM 62 OD1 ASN A 4 -3.202 0.192 -6.253 1.00 0.00 O ATOM 63 ND2 ASN A 4 -2.543 -0.275 -4.216 1.00 0.00 N ATOM 0 H ASN A 4 -0.571 -1.353 -6.938 1.00 0.00 H new ATOM 0 HA ASN A 4 -1.113 -2.447 -4.382 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.791 -2.198 -6.925 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.445 -2.702 -5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.651 0.701 -3.940 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.222 -0.964 -3.536 1.00 0.00 H new ATOM 70 N ASN A 5 -0.057 -4.674 -5.959 1.00 0.00 N ATOM 71 CA ASN A 5 0.131 -6.087 -6.259 1.00 0.00 C ATOM 72 C ASN A 5 0.144 -6.945 -5.002 1.00 0.00 C ATOM 73 O ASN A 5 0.656 -8.062 -5.011 1.00 0.00 O ATOM 74 CB ASN A 5 1.424 -6.296 -7.054 1.00 0.00 C ATOM 75 CG ASN A 5 2.622 -6.389 -6.109 1.00 0.00 C ATOM 76 OD1 ASN A 5 3.397 -7.344 -6.185 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.822 -5.462 -5.219 1.00 0.00 N ATOM 0 H ASN A 5 0.801 -4.124 -6.005 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.720 -6.404 -6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.350 -7.207 -7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.567 -5.471 -7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.619 -5.526 -4.586 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.182 -4.671 -5.154 1.00 0.00 H new ATOM 84 N LEU A 6 -0.543 -6.485 -3.978 1.00 0.00 N ATOM 85 CA LEU A 6 -0.689 -7.260 -2.747 1.00 0.00 C ATOM 86 C LEU A 6 -1.390 -8.569 -3.082 1.00 0.00 C ATOM 87 O LEU A 6 -0.992 -9.650 -2.638 1.00 0.00 O ATOM 88 CB LEU A 6 -1.502 -6.437 -1.719 1.00 0.00 C ATOM 89 CG LEU A 6 -1.876 -7.264 -0.465 1.00 0.00 C ATOM 90 CD1 LEU A 6 -3.131 -8.104 -0.735 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.719 -8.177 -0.033 1.00 0.00 C ATOM 0 H LEU A 6 -1.012 -5.579 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 6 0.285 -7.482 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.923 -5.565 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.412 -6.067 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.080 -6.565 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.382 -8.680 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.962 -7.446 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.942 -8.784 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.013 -8.744 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.477 -8.866 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.156 -7.570 0.201 1.00 0.00 H new ATOM 103 N LYS A 7 -2.381 -8.456 -3.938 1.00 0.00 N ATOM 104 CA LYS A 7 -3.135 -9.601 -4.429 1.00 0.00 C ATOM 105 C LYS A 7 -2.209 -10.756 -4.744 1.00 0.00 C ATOM 106 O LYS A 7 -2.366 -11.847 -4.209 1.00 0.00 O ATOM 107 CB LYS A 7 -3.883 -9.223 -5.725 1.00 0.00 C ATOM 108 CG LYS A 7 -3.197 -8.016 -6.397 1.00 0.00 C ATOM 109 CD LYS A 7 -4.024 -7.519 -7.587 1.00 0.00 C ATOM 110 CE LYS A 7 -3.372 -6.244 -8.142 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.206 -5.675 -9.220 1.00 0.00 N ATOM 0 H LYS A 7 -2.693 -7.563 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.841 -9.894 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.895 -10.072 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.921 -8.982 -5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.073 -7.211 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.199 -8.299 -6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.072 -8.286 -8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.049 -7.315 -7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.248 -5.513 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.377 -6.472 -8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.617 -5.080 -9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.625 -6.446 -9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.964 -5.097 -8.804 1.00 0.00 H new ATOM 125 N LEU A 8 -1.236 -10.496 -5.611 1.00 0.00 N ATOM 126 CA LEU A 8 -0.344 -11.538 -6.101 1.00 0.00 C ATOM 127 C LEU A 8 0.393 -12.182 -4.957 1.00 0.00 C ATOM 128 O LEU A 8 0.427 -13.406 -4.843 1.00 0.00 O ATOM 129 CB LEU A 8 0.681 -10.930 -7.074 1.00 0.00 C ATOM 130 CG LEU A 8 0.105 -10.744 -8.508 1.00 0.00 C ATOM 131 CD1 LEU A 8 -1.381 -11.127 -8.593 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.272 -9.288 -8.937 1.00 0.00 C ATOM 0 H LEU A 8 -1.046 -9.568 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.943 -12.291 -6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.012 -9.965 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.560 -11.573 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 8 0.658 -11.408 -9.172 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.737 -10.980 -9.613 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.504 -12.173 -8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.958 -10.500 -7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.131 -9.156 -9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.264 -8.640 -8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.330 -9.027 -8.933 1.00 0.00 H new ATOM 144 N ILE A 9 0.877 -11.364 -4.063 1.00 0.00 N ATOM 145 CA ILE A 9 1.534 -11.841 -2.873 1.00 0.00 C ATOM 146 C ILE A 9 0.533 -12.627 -2.029 1.00 0.00 C ATOM 147 O ILE A 9 0.841 -13.700 -1.511 1.00 0.00 O ATOM 148 CB ILE A 9 2.086 -10.638 -2.111 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.225 -10.011 -2.929 1.00 0.00 C ATOM 150 CG2 ILE A 9 2.646 -11.087 -0.756 1.00 0.00 C ATOM 151 CD1 ILE A 9 3.180 -8.499 -2.803 1.00 0.00 C ATOM 0 H ILE A 9 0.828 -10.348 -4.137 1.00 0.00 H new ATOM 0 HA ILE A 9 2.361 -12.507 -3.122 1.00 0.00 H new ATOM 0 HB ILE A 9 1.285 -9.916 -1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.186 -10.386 -2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.134 -10.300 -3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.037 -10.223 -0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.852 -11.549 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.447 -11.809 -0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.991 -8.061 -3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.225 -8.131 -3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.293 -8.218 -1.756 1.00 0.00 H new ATOM 163 N ARG A 10 -0.672 -12.103 -1.907 1.00 0.00 N ATOM 164 CA ARG A 10 -1.701 -12.799 -1.158 1.00 0.00 C ATOM 165 C ARG A 10 -2.014 -14.168 -1.794 1.00 0.00 C ATOM 166 O ARG A 10 -2.004 -15.195 -1.103 1.00 0.00 O ATOM 167 CB ARG A 10 -2.968 -11.919 -1.038 1.00 0.00 C ATOM 168 CG ARG A 10 -4.202 -12.787 -0.801 1.00 0.00 C ATOM 169 CD ARG A 10 -4.883 -13.070 -2.149 1.00 0.00 C ATOM 170 NE ARG A 10 -5.519 -14.379 -2.135 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.135 -14.866 -3.214 1.00 0.00 C ATOM 172 NH1 ARG A 10 -6.284 -14.112 -4.271 1.00 0.00 N ATOM 173 NH2 ARG A 10 -6.608 -16.076 -3.205 1.00 0.00 N ATOM 0 H ARG A 10 -0.960 -11.211 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.331 -12.989 -0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.850 -11.212 -0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.098 -11.332 -1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.917 -13.723 -0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.895 -12.281 -0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.627 -12.300 -2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.147 -13.026 -2.951 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.493 -14.937 -1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.930 -13.155 -4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.754 -14.480 -5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.509 -16.656 -2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.078 -16.446 -4.031 1.00 0.00 H new ATOM 187 N GLU A 11 -2.200 -14.207 -3.117 1.00 0.00 N ATOM 188 CA GLU A 11 -2.443 -15.492 -3.789 1.00 0.00 C ATOM 189 C GLU A 11 -1.168 -16.317 -3.833 1.00 0.00 C ATOM 190 O GLU A 11 -1.198 -17.505 -4.131 1.00 0.00 O ATOM 191 CB GLU A 11 -3.020 -15.345 -5.219 1.00 0.00 C ATOM 192 CG GLU A 11 -2.953 -13.898 -5.700 1.00 0.00 C ATOM 193 CD GLU A 11 -3.209 -13.836 -7.189 1.00 0.00 C ATOM 194 OE1 GLU A 11 -2.534 -14.529 -7.907 1.00 0.00 O ATOM 195 OE2 GLU A 11 -4.076 -13.100 -7.593 1.00 0.00 O ATOM 0 H GLU A 11 -2.188 -13.392 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.201 -16.003 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.464 -15.984 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.055 -15.687 -5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.691 -13.295 -5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.974 -13.476 -5.473 1.00 0.00 H new ATOM 202 N LYS A 12 -0.042 -15.659 -3.643 1.00 0.00 N ATOM 203 CA LYS A 12 1.255 -16.314 -3.752 1.00 0.00 C ATOM 204 C LYS A 12 1.334 -17.451 -2.750 1.00 0.00 C ATOM 205 O LYS A 12 1.499 -18.617 -3.122 1.00 0.00 O ATOM 206 CB LYS A 12 2.304 -15.287 -3.376 1.00 0.00 C ATOM 207 CG LYS A 12 3.715 -15.785 -3.600 1.00 0.00 C ATOM 208 CD LYS A 12 4.628 -14.671 -3.103 1.00 0.00 C ATOM 209 CE LYS A 12 6.076 -14.963 -3.434 1.00 0.00 C ATOM 210 NZ LYS A 12 6.470 -16.280 -2.882 1.00 0.00 N ATOM 0 H LYS A 12 0.005 -14.667 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 12 1.405 -16.701 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.146 -14.381 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.181 -15.015 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.895 -16.711 -3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.893 -15.996 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.332 -13.725 -3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.514 -14.557 -2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.218 -14.956 -4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.716 -14.182 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.505 -16.376 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.150 -16.353 -1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.032 -17.037 -3.445 1.00 0.00 H new ATOM 224 N LYS A 13 1.100 -17.118 -1.485 1.00 0.00 N ATOM 225 CA LYS A 13 1.109 -18.126 -0.418 1.00 0.00 C ATOM 226 C LYS A 13 -0.225 -18.849 -0.389 1.00 0.00 C ATOM 227 O LYS A 13 -0.453 -19.707 0.459 1.00 0.00 O ATOM 228 CB LYS A 13 1.363 -17.505 0.968 1.00 0.00 C ATOM 229 CG LYS A 13 2.208 -16.240 0.842 1.00 0.00 C ATOM 230 CD LYS A 13 2.656 -15.771 2.233 1.00 0.00 C ATOM 231 CE LYS A 13 3.557 -14.539 2.084 1.00 0.00 C ATOM 232 NZ LYS A 13 4.046 -14.109 3.417 1.00 0.00 N ATOM 0 H LYS A 13 0.903 -16.168 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 13 1.922 -18.819 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.413 -17.268 1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.871 -18.226 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.079 -16.435 0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.632 -15.455 0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.787 -15.529 2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.194 -16.570 2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.401 -14.771 1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.004 -13.728 1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.842 -13.450 3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.277 -13.635 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.363 -14.941 3.955 1.00 0.00 H new ATOM 246 N LYS A 14 -1.148 -18.384 -1.222 1.00 0.00 N ATOM 247 CA LYS A 14 -2.523 -18.878 -1.233 1.00 0.00 C ATOM 248 C LYS A 14 -3.251 -18.346 -0.015 1.00 0.00 C ATOM 249 O LYS A 14 -4.009 -19.062 0.646 1.00 0.00 O ATOM 250 CB LYS A 14 -2.569 -20.417 -1.250 1.00 0.00 C ATOM 251 CG LYS A 14 -1.616 -20.947 -2.325 1.00 0.00 C ATOM 252 CD LYS A 14 -2.009 -20.388 -3.690 1.00 0.00 C ATOM 253 CE LYS A 14 -0.887 -20.672 -4.685 1.00 0.00 C ATOM 254 NZ LYS A 14 -0.072 -19.444 -4.881 1.00 0.00 N ATOM 0 H LYS A 14 -0.966 -17.653 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.012 -18.526 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.287 -20.810 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.585 -20.758 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.591 -20.662 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.647 -22.036 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.938 -20.844 -4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.188 -19.315 -3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.258 -21.483 -4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.305 -20.999 -5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.294 -19.422 -5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.663 -18.605 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.724 -19.445 -4.211 1.00 0.00 H new ATOM 268 N ILE A 15 -3.007 -17.089 0.275 1.00 0.00 N ATOM 269 CA ILE A 15 -3.612 -16.429 1.413 1.00 0.00 C ATOM 270 C ILE A 15 -5.004 -15.977 1.063 1.00 0.00 C ATOM 271 O ILE A 15 -5.240 -15.447 -0.030 1.00 0.00 O ATOM 272 CB ILE A 15 -2.767 -15.224 1.849 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.368 -15.672 2.201 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.379 -14.521 3.058 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.413 -16.798 3.246 1.00 0.00 C ATOM 0 H ILE A 15 -2.384 -16.493 -0.270 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.661 -17.138 2.240 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.739 -14.524 1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.854 -16.019 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.796 -14.829 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.755 -13.673 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.379 -14.168 2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.440 -15.219 3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.397 -17.110 3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.908 -16.438 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.966 -17.646 2.843 1.00 0.00 H new ATOM 287 N SER A 16 -5.918 -16.145 1.980 1.00 0.00 N ATOM 288 CA SER A 16 -7.260 -15.654 1.752 1.00 0.00 C ATOM 289 C SER A 16 -7.303 -14.167 2.044 1.00 0.00 C ATOM 290 O SER A 16 -6.621 -13.679 2.943 1.00 0.00 O ATOM 291 CB SER A 16 -8.303 -16.416 2.598 1.00 0.00 C ATOM 292 OG SER A 16 -8.150 -16.109 3.986 1.00 0.00 O ATOM 0 H SER A 16 -5.769 -16.608 2.877 1.00 0.00 H new ATOM 0 HA SER A 16 -7.520 -15.826 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.308 -16.151 2.270 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.190 -17.489 2.443 1.00 0.00 H new ATOM 0 HG SER A 16 -7.685 -16.846 4.435 1.00 0.00 H new ATOM 298 N GLN A 17 -8.090 -13.441 1.309 1.00 0.00 N ATOM 299 CA GLN A 17 -8.220 -12.038 1.582 1.00 0.00 C ATOM 300 C GLN A 17 -8.921 -11.854 2.927 1.00 0.00 C ATOM 301 O GLN A 17 -8.635 -10.920 3.673 1.00 0.00 O ATOM 302 CB GLN A 17 -8.964 -11.337 0.447 1.00 0.00 C ATOM 303 CG GLN A 17 -8.347 -11.781 -0.888 1.00 0.00 C ATOM 304 CD GLN A 17 -8.056 -10.579 -1.760 1.00 0.00 C ATOM 305 OE1 GLN A 17 -8.918 -10.137 -2.511 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.895 -10.017 -1.698 1.00 0.00 N ATOM 0 H GLN A 17 -8.645 -13.788 0.527 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.233 -11.579 1.643 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.024 -11.589 0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.890 -10.255 0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.427 -12.336 -0.704 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.029 -12.456 -1.404 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.181 -10.389 -1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.692 -9.201 -2.276 1.00 0.00 H new ATOM 315 N SER A 18 -9.837 -12.770 3.229 1.00 0.00 N ATOM 316 CA SER A 18 -10.580 -12.733 4.481 1.00 0.00 C ATOM 317 C SER A 18 -9.664 -12.884 5.696 1.00 0.00 C ATOM 318 O SER A 18 -9.758 -12.094 6.648 1.00 0.00 O ATOM 319 CB SER A 18 -11.657 -13.815 4.492 1.00 0.00 C ATOM 320 OG SER A 18 -12.553 -13.587 3.407 1.00 0.00 O ATOM 0 H SER A 18 -10.082 -13.550 2.619 1.00 0.00 H new ATOM 0 HA SER A 18 -11.055 -11.754 4.549 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.201 -14.801 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.199 -13.798 5.438 1.00 0.00 H new ATOM 0 HG SER A 18 -13.247 -14.279 3.405 1.00 0.00 H new ATOM 326 N GLU A 19 -8.743 -13.855 5.654 1.00 0.00 N ATOM 327 CA GLU A 19 -7.813 -14.025 6.770 1.00 0.00 C ATOM 328 C GLU A 19 -6.903 -12.830 6.835 1.00 0.00 C ATOM 329 O GLU A 19 -6.666 -12.263 7.902 1.00 0.00 O ATOM 330 CB GLU A 19 -7.001 -15.330 6.639 1.00 0.00 C ATOM 331 CG GLU A 19 -5.906 -15.195 5.571 1.00 0.00 C ATOM 332 CD GLU A 19 -5.348 -16.552 5.226 1.00 0.00 C ATOM 333 OE1 GLU A 19 -6.043 -17.299 4.571 1.00 0.00 O ATOM 334 OE2 GLU A 19 -4.246 -16.832 5.614 1.00 0.00 O ATOM 0 H GLU A 19 -8.625 -14.514 4.885 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.383 -14.100 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.548 -15.578 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.668 -16.152 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.315 -14.724 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.109 -14.548 5.936 1.00 0.00 H new ATOM 341 N LEU A 20 -6.492 -12.383 5.666 1.00 0.00 N ATOM 342 CA LEU A 20 -5.660 -11.212 5.555 1.00 0.00 C ATOM 343 C LEU A 20 -6.397 -10.029 6.152 1.00 0.00 C ATOM 344 O LEU A 20 -5.898 -9.361 7.051 1.00 0.00 O ATOM 345 CB LEU A 20 -5.440 -10.935 4.067 1.00 0.00 C ATOM 346 CG LEU A 20 -4.616 -9.665 3.864 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.134 -9.952 4.087 1.00 0.00 C ATOM 348 CD2 LEU A 20 -4.854 -9.131 2.455 1.00 0.00 C ATOM 0 H LEU A 20 -6.725 -12.820 4.775 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.713 -11.365 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.930 -11.781 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.403 -10.832 3.566 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.926 -8.912 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.560 -9.037 3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.983 -10.315 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.799 -10.709 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.268 -8.224 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.552 -9.882 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.912 -8.904 2.326 1.00 0.00 H new ATOM 360 N ALA A 21 -7.632 -9.855 5.730 1.00 0.00 N ATOM 361 CA ALA A 21 -8.459 -8.772 6.217 1.00 0.00 C ATOM 362 C ALA A 21 -8.605 -8.852 7.718 1.00 0.00 C ATOM 363 O ALA A 21 -8.570 -7.828 8.411 1.00 0.00 O ATOM 364 CB ALA A 21 -9.836 -8.808 5.548 1.00 0.00 C ATOM 0 H ALA A 21 -8.088 -10.456 5.044 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.974 -7.829 5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.445 -7.987 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.719 -8.707 4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.325 -9.756 5.773 1.00 0.00 H new ATOM 370 N ALA A 22 -8.679 -10.067 8.233 1.00 0.00 N ATOM 371 CA ALA A 22 -8.751 -10.255 9.665 1.00 0.00 C ATOM 372 C ALA A 22 -7.477 -9.742 10.305 1.00 0.00 C ATOM 373 O ALA A 22 -7.511 -9.081 11.346 1.00 0.00 O ATOM 374 CB ALA A 22 -8.951 -11.736 10.008 1.00 0.00 C ATOM 0 H ALA A 22 -8.691 -10.927 7.685 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.604 -9.697 10.051 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.002 -11.855 11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.879 -12.091 9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.114 -12.316 9.619 1.00 0.00 H new ATOM 380 N LEU A 23 -6.353 -10.042 9.674 1.00 0.00 N ATOM 381 CA LEU A 23 -5.066 -9.594 10.178 1.00 0.00 C ATOM 382 C LEU A 23 -4.975 -8.080 10.100 1.00 0.00 C ATOM 383 O LEU A 23 -4.323 -7.436 10.927 1.00 0.00 O ATOM 384 CB LEU A 23 -3.911 -10.199 9.377 1.00 0.00 C ATOM 385 CG LEU A 23 -3.926 -11.730 9.474 1.00 0.00 C ATOM 386 CD1 LEU A 23 -2.634 -12.306 8.890 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.116 -12.188 10.917 1.00 0.00 C ATOM 0 H LEU A 23 -6.306 -10.591 8.816 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.986 -9.924 11.214 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.988 -9.895 8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.962 -9.815 9.752 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.771 -12.102 8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.654 -13.393 8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.546 -12.015 7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.780 -11.921 9.447 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.123 -13.277 10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.298 -11.808 11.530 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.063 -11.806 11.298 1.00 0.00 H new ATOM 399 N LEU A 24 -5.502 -7.535 9.014 1.00 0.00 N ATOM 400 CA LEU A 24 -5.362 -6.117 8.726 1.00 0.00 C ATOM 401 C LEU A 24 -6.313 -5.293 9.558 1.00 0.00 C ATOM 402 O LEU A 24 -6.221 -4.068 9.577 1.00 0.00 O ATOM 403 CB LEU A 24 -5.595 -5.831 7.242 1.00 0.00 C ATOM 404 CG LEU A 24 -4.644 -6.675 6.397 1.00 0.00 C ATOM 405 CD1 LEU A 24 -4.816 -6.361 4.918 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.204 -6.451 6.817 1.00 0.00 C ATOM 0 H LEU A 24 -6.032 -8.056 8.316 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.341 -5.836 8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.628 -6.055 6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.436 -4.772 7.037 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.891 -7.724 6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.129 -6.973 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.841 -6.578 4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.601 -5.307 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.546 -7.063 6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.947 -5.400 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.083 -6.729 7.864 1.00 0.00 H new ATOM 418 N GLU A 25 -7.250 -5.955 10.215 1.00 0.00 N ATOM 419 CA GLU A 25 -8.233 -5.266 11.045 1.00 0.00 C ATOM 420 C GLU A 25 -9.108 -4.369 10.172 1.00 0.00 C ATOM 421 O GLU A 25 -9.699 -3.395 10.665 1.00 0.00 O ATOM 422 CB GLU A 25 -7.523 -4.405 12.101 1.00 0.00 C ATOM 423 CG GLU A 25 -6.456 -5.235 12.830 1.00 0.00 C ATOM 424 CD GLU A 25 -5.687 -4.347 13.781 1.00 0.00 C ATOM 425 OE1 GLU A 25 -4.799 -3.651 13.325 1.00 0.00 O ATOM 426 OE2 GLU A 25 -5.991 -4.360 14.945 1.00 0.00 O ATOM 0 H GLU A 25 -7.354 -6.969 10.192 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.853 -6.011 11.544 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.060 -3.541 11.625 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.250 -4.023 12.818 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.927 -6.051 13.378 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.776 -5.687 12.108 1.00 0.00 H new ATOM 433 N VAL A 26 -9.192 -4.710 8.893 1.00 0.00 N ATOM 434 CA VAL A 26 -10.012 -3.976 7.932 1.00 0.00 C ATOM 435 C VAL A 26 -10.822 -4.966 7.107 1.00 0.00 C ATOM 436 O VAL A 26 -10.539 -6.165 7.129 1.00 0.00 O ATOM 437 CB VAL A 26 -9.139 -3.107 7.011 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.357 -2.089 7.845 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.153 -3.981 6.227 1.00 0.00 C ATOM 0 H VAL A 26 -8.694 -5.504 8.490 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.685 -3.313 8.477 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.790 -2.585 6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.741 -1.476 7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.054 -1.450 8.387 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.719 -2.614 8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.543 -3.351 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.509 -4.517 6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.706 -4.697 5.619 1.00 0.00 H new ATOM 449 N SER A 27 -11.857 -4.494 6.438 1.00 0.00 N ATOM 450 CA SER A 27 -12.723 -5.390 5.692 1.00 0.00 C ATOM 451 C SER A 27 -12.058 -5.926 4.416 1.00 0.00 C ATOM 452 O SER A 27 -11.274 -5.223 3.753 1.00 0.00 O ATOM 453 CB SER A 27 -14.075 -4.721 5.395 1.00 0.00 C ATOM 454 OG SER A 27 -13.880 -3.381 4.916 1.00 0.00 O ATOM 0 H SER A 27 -12.117 -3.509 6.395 1.00 0.00 H new ATOM 0 HA SER A 27 -12.908 -6.259 6.323 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.620 -5.303 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.686 -4.705 6.298 1.00 0.00 H new ATOM 0 HG SER A 27 -13.042 -3.333 4.411 1.00 0.00 H new ATOM 460 N ARG A 28 -12.397 -7.158 4.064 1.00 0.00 N ATOM 461 CA ARG A 28 -11.882 -7.802 2.862 1.00 0.00 C ATOM 462 C ARG A 28 -12.297 -7.059 1.603 1.00 0.00 C ATOM 463 O ARG A 28 -11.479 -6.855 0.698 1.00 0.00 O ATOM 464 CB ARG A 28 -12.311 -9.280 2.817 1.00 0.00 C ATOM 465 CG ARG A 28 -11.915 -9.921 1.479 1.00 0.00 C ATOM 466 CD ARG A 28 -12.233 -11.424 1.514 1.00 0.00 C ATOM 467 NE ARG A 28 -13.529 -11.678 2.141 1.00 0.00 N ATOM 468 CZ ARG A 28 -14.680 -11.363 1.565 1.00 0.00 C ATOM 469 NH1 ARG A 28 -14.687 -10.848 0.367 1.00 0.00 N ATOM 470 NH2 ARG A 28 -15.798 -11.591 2.188 1.00 0.00 N ATOM 0 H ARG A 28 -13.037 -7.741 4.604 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.793 -7.767 2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.845 -9.824 3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.389 -9.355 2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.455 -9.444 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.852 -9.768 1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.233 -11.822 0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.452 -11.951 2.062 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.548 -12.117 3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.808 -10.688 -0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.572 -10.605 -0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.787 -12.011 3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.686 -11.350 1.747 1.00 0.00 H new ATOM 484 N GLN A 29 -13.552 -6.635 1.549 1.00 0.00 N ATOM 485 CA GLN A 29 -14.045 -5.907 0.382 1.00 0.00 C ATOM 486 C GLN A 29 -13.137 -4.732 0.091 1.00 0.00 C ATOM 487 O GLN A 29 -12.772 -4.480 -1.059 1.00 0.00 O ATOM 488 CB GLN A 29 -15.485 -5.408 0.604 1.00 0.00 C ATOM 489 CG GLN A 29 -15.660 -4.879 2.036 1.00 0.00 C ATOM 490 CD GLN A 29 -15.860 -3.371 2.023 1.00 0.00 C ATOM 491 OE1 GLN A 29 -16.569 -2.840 1.164 1.00 0.00 O ATOM 492 NE2 GLN A 29 -15.284 -2.651 2.918 1.00 0.00 N ATOM 0 H GLN A 29 -14.241 -6.778 2.287 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.048 -6.589 -0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.716 -4.619 -0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.189 -6.220 0.422 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.516 -5.362 2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.784 -5.131 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.698 -3.091 3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.413 -1.639 2.919 1.00 0.00 H new ATOM 501 N THR A 30 -12.732 -4.048 1.136 1.00 0.00 N ATOM 502 CA THR A 30 -11.812 -2.951 1.001 1.00 0.00 C ATOM 503 C THR A 30 -10.451 -3.439 0.500 1.00 0.00 C ATOM 504 O THR A 30 -9.913 -2.910 -0.473 1.00 0.00 O ATOM 505 CB THR A 30 -11.673 -2.230 2.347 1.00 0.00 C ATOM 506 OG1 THR A 30 -12.152 -3.091 3.385 1.00 0.00 O ATOM 507 CG2 THR A 30 -12.507 -0.947 2.333 1.00 0.00 C ATOM 0 H THR A 30 -13.030 -4.236 2.093 1.00 0.00 H new ATOM 0 HA THR A 30 -12.202 -2.250 0.263 1.00 0.00 H new ATOM 0 HB THR A 30 -10.627 -1.978 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.513 -3.820 3.526 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.406 -0.437 3.291 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.155 -0.293 1.535 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.555 -1.196 2.163 1.00 0.00 H new ATOM 515 N ILE A 31 -9.920 -4.478 1.137 1.00 0.00 N ATOM 516 CA ILE A 31 -8.615 -4.998 0.756 1.00 0.00 C ATOM 517 C ILE A 31 -8.629 -5.533 -0.663 1.00 0.00 C ATOM 518 O ILE A 31 -7.738 -5.220 -1.459 1.00 0.00 O ATOM 519 CB ILE A 31 -8.157 -6.095 1.732 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.891 -5.491 3.118 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.883 -6.767 1.212 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.812 -4.402 3.019 1.00 0.00 C ATOM 0 H ILE A 31 -10.368 -4.970 1.910 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.906 -4.171 0.802 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.947 -6.841 1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.811 -5.067 3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.570 -6.271 3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.569 -7.542 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.080 -7.216 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.092 -6.023 1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.630 -3.979 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.890 -4.838 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.150 -3.615 2.344 1.00 0.00 H new ATOM 534 N ASN A 32 -9.657 -6.288 -1.006 1.00 0.00 N ATOM 535 CA ASN A 32 -9.734 -6.815 -2.354 1.00 0.00 C ATOM 536 C ASN A 32 -10.055 -5.712 -3.334 1.00 0.00 C ATOM 537 O ASN A 32 -9.866 -5.869 -4.532 1.00 0.00 O ATOM 538 CB ASN A 32 -10.717 -7.991 -2.468 1.00 0.00 C ATOM 539 CG ASN A 32 -12.158 -7.530 -2.635 1.00 0.00 C ATOM 540 OD1 ASN A 32 -12.443 -6.624 -3.413 1.00 0.00 O ATOM 541 ND2 ASN A 32 -13.084 -8.112 -1.948 1.00 0.00 N ATOM 0 H ASN A 32 -10.429 -6.544 -0.390 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.754 -7.219 -2.608 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.437 -8.614 -3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.639 -8.614 -1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.056 -7.819 -2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.844 -8.864 -1.303 1.00 0.00 H new ATOM 548 N GLY A 33 -10.472 -4.566 -2.802 1.00 0.00 N ATOM 549 CA GLY A 33 -10.704 -3.373 -3.606 1.00 0.00 C ATOM 550 C GLY A 33 -9.384 -2.654 -3.864 1.00 0.00 C ATOM 551 O GLY A 33 -9.155 -2.088 -4.948 1.00 0.00 O ATOM 0 H GLY A 33 -10.657 -4.440 -1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.170 -3.647 -4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.396 -2.707 -3.092 1.00 0.00 H new ATOM 555 N ILE A 34 -8.532 -2.651 -2.847 1.00 0.00 N ATOM 556 CA ILE A 34 -7.242 -1.977 -2.907 1.00 0.00 C ATOM 557 C ILE A 34 -6.358 -2.595 -3.975 1.00 0.00 C ATOM 558 O ILE A 34 -5.707 -1.884 -4.742 1.00 0.00 O ATOM 559 CB ILE A 34 -6.545 -2.030 -1.528 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.312 -1.163 -0.523 1.00 0.00 C ATOM 561 CG2 ILE A 34 -5.103 -1.517 -1.626 1.00 0.00 C ATOM 562 CD1 ILE A 34 -6.762 -1.389 0.887 1.00 0.00 C ATOM 0 H ILE A 34 -8.716 -3.116 -1.958 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.412 -0.934 -3.172 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.533 -3.068 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.221 -0.111 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.373 -1.410 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.633 -1.564 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.543 -2.137 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.107 -0.485 -1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.312 -0.770 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.876 -2.439 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.706 -1.120 0.913 1.00 0.00 H new ATOM 574 N GLU A 35 -6.340 -3.915 -4.039 1.00 0.00 N ATOM 575 CA GLU A 35 -5.529 -4.598 -5.022 1.00 0.00 C ATOM 576 C GLU A 35 -5.983 -4.221 -6.426 1.00 0.00 C ATOM 577 O GLU A 35 -5.264 -4.428 -7.405 1.00 0.00 O ATOM 578 CB GLU A 35 -5.588 -6.115 -4.801 1.00 0.00 C ATOM 579 CG GLU A 35 -7.008 -6.635 -5.012 1.00 0.00 C ATOM 580 CD GLU A 35 -7.049 -8.136 -4.796 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.494 -8.598 -3.825 1.00 0.00 O ATOM 582 OE2 GLU A 35 -7.635 -8.808 -5.619 1.00 0.00 O ATOM 0 H GLU A 35 -6.875 -4.529 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.491 -4.287 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.906 -6.615 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.254 -6.354 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.691 -6.141 -4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.346 -6.395 -6.020 1.00 0.00 H new ATOM 589 N LYS A 36 -7.196 -3.693 -6.517 1.00 0.00 N ATOM 590 CA LYS A 36 -7.765 -3.300 -7.792 1.00 0.00 C ATOM 591 C LYS A 36 -7.491 -1.834 -8.055 1.00 0.00 C ATOM 592 O LYS A 36 -6.925 -1.463 -9.091 1.00 0.00 O ATOM 593 CB LYS A 36 -9.283 -3.511 -7.773 1.00 0.00 C ATOM 594 CG LYS A 36 -9.612 -4.700 -6.879 1.00 0.00 C ATOM 595 CD LYS A 36 -10.376 -5.757 -7.650 1.00 0.00 C ATOM 596 CE LYS A 36 -9.609 -7.075 -7.580 1.00 0.00 C ATOM 597 NZ LYS A 36 -9.661 -7.591 -6.188 1.00 0.00 N ATOM 0 H LYS A 36 -7.805 -3.528 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.311 -3.909 -8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.782 -2.615 -7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.650 -3.688 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.692 -5.128 -6.481 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.203 -4.367 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.375 -5.880 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.501 -5.449 -8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.044 -7.801 -8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.574 -6.925 -7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.957 -8.348 -6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.452 -6.819 -5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.610 -7.968 -5.993 1.00 0.00 H new ATOM 611 N ASN A 37 -7.958 -0.991 -7.139 1.00 0.00 N ATOM 612 CA ASN A 37 -7.846 0.455 -7.306 1.00 0.00 C ATOM 613 C ASN A 37 -8.257 1.206 -6.050 1.00 0.00 C ATOM 614 O ASN A 37 -8.182 2.435 -6.015 1.00 0.00 O ATOM 615 CB ASN A 37 -8.749 0.916 -8.451 1.00 0.00 C ATOM 616 CG ASN A 37 -10.210 0.848 -8.008 1.00 0.00 C ATOM 617 OD1 ASN A 37 -10.668 1.696 -7.242 1.00 0.00 O ATOM 618 ND2 ASN A 37 -10.964 -0.121 -8.422 1.00 0.00 N ATOM 0 H ASN A 37 -8.416 -1.283 -6.276 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.800 0.673 -7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.493 1.935 -8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.594 0.286 -9.327 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.934 -0.180 -8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.587 -0.825 -9.057 1.00 0.00 H new ATOM 625 N LYS A 38 -8.809 0.501 -5.077 1.00 0.00 N ATOM 626 CA LYS A 38 -9.342 1.169 -3.897 1.00 0.00 C ATOM 627 C LYS A 38 -8.206 1.848 -3.140 1.00 0.00 C ATOM 628 O LYS A 38 -7.050 1.417 -3.241 1.00 0.00 O ATOM 629 CB LYS A 38 -10.095 0.177 -3.001 1.00 0.00 C ATOM 630 CG LYS A 38 -11.180 0.905 -2.195 1.00 0.00 C ATOM 631 CD LYS A 38 -12.261 1.439 -3.158 1.00 0.00 C ATOM 632 CE LYS A 38 -13.565 1.708 -2.392 1.00 0.00 C ATOM 633 NZ LYS A 38 -14.637 0.802 -2.886 1.00 0.00 N ATOM 0 H LYS A 38 -8.900 -0.515 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.057 1.930 -4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.548 -0.604 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.397 -0.314 -2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.627 0.226 -1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.740 1.728 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.914 2.356 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.440 0.715 -3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.409 1.553 -1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.866 2.747 -2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.517 0.989 -2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.794 0.970 -3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.351 -0.187 -2.739 1.00 0.00 H new ATOM 647 N TYR A 39 -8.502 2.993 -2.532 1.00 0.00 N ATOM 648 CA TYR A 39 -7.473 3.815 -1.897 1.00 0.00 C ATOM 649 C TYR A 39 -6.397 2.974 -1.233 1.00 0.00 C ATOM 650 O TYR A 39 -6.688 2.119 -0.398 1.00 0.00 O ATOM 651 CB TYR A 39 -8.075 4.815 -0.890 1.00 0.00 C ATOM 652 CG TYR A 39 -9.296 4.238 -0.202 1.00 0.00 C ATOM 653 CD1 TYR A 39 -9.150 3.406 0.918 1.00 0.00 C ATOM 654 CD2 TYR A 39 -10.574 4.553 -0.675 1.00 0.00 C ATOM 655 CE1 TYR A 39 -10.282 2.894 1.560 1.00 0.00 C ATOM 656 CE2 TYR A 39 -11.706 4.038 -0.036 1.00 0.00 C ATOM 657 CZ TYR A 39 -11.561 3.210 1.082 1.00 0.00 C ATOM 658 OH TYR A 39 -12.677 2.712 1.720 1.00 0.00 O ATOM 0 H TYR A 39 -9.446 3.374 -2.465 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.002 4.385 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.325 5.078 -0.144 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -8.347 5.735 -1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.164 3.161 1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -10.687 5.195 -1.536 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.171 2.255 2.424 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -12.692 4.279 -0.405 1.00 0.00 H new ATOM 0 HH TYR A 39 -13.484 3.028 1.262 1.00 0.00 H new ATOM 668 N ASN A 40 -5.156 3.206 -1.647 1.00 0.00 N ATOM 669 CA ASN A 40 -4.012 2.462 -1.131 1.00 0.00 C ATOM 670 C ASN A 40 -4.012 2.469 0.384 1.00 0.00 C ATOM 671 O ASN A 40 -4.524 3.399 1.003 1.00 0.00 O ATOM 672 CB ASN A 40 -2.703 3.052 -1.664 1.00 0.00 C ATOM 673 CG ASN A 40 -2.801 3.209 -3.171 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.832 2.213 -3.897 1.00 0.00 O ATOM 675 ND2 ASN A 40 -2.871 4.397 -3.693 1.00 0.00 N ATOM 0 H ASN A 40 -4.915 3.910 -2.345 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.093 1.430 -1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.510 4.018 -1.198 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.867 2.402 -1.408 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.952 4.506 -4.704 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.845 5.221 -3.092 1.00 0.00 H new ATOM 682 N PRO A 41 -3.483 1.447 0.997 1.00 0.00 N ATOM 683 CA PRO A 41 -3.493 1.319 2.476 1.00 0.00 C ATOM 684 C PRO A 41 -2.595 2.348 3.147 1.00 0.00 C ATOM 685 O PRO A 41 -1.544 2.726 2.605 1.00 0.00 O ATOM 686 CB PRO A 41 -2.981 -0.107 2.714 1.00 0.00 C ATOM 687 CG PRO A 41 -2.127 -0.399 1.527 1.00 0.00 C ATOM 688 CD PRO A 41 -2.805 0.303 0.352 1.00 0.00 C ATOM 0 HA PRO A 41 -4.481 1.497 2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.410 -0.175 3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.805 -0.816 2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.112 -0.028 1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.052 -1.472 1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.082 0.631 -0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.513 -0.352 -0.156 1.00 0.00 H new ATOM 696 N SER A 42 -2.958 2.737 4.353 1.00 0.00 N ATOM 697 CA SER A 42 -2.126 3.629 5.133 1.00 0.00 C ATOM 698 C SER A 42 -0.782 2.953 5.363 1.00 0.00 C ATOM 699 O SER A 42 -0.685 1.728 5.260 1.00 0.00 O ATOM 700 CB SER A 42 -2.805 3.945 6.462 1.00 0.00 C ATOM 701 OG SER A 42 -4.178 4.245 6.218 1.00 0.00 O ATOM 0 H SER A 42 -3.822 2.450 4.813 1.00 0.00 H new ATOM 0 HA SER A 42 -1.976 4.568 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.719 3.096 7.141 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.314 4.790 6.945 1.00 0.00 H new ATOM 0 HG SER A 42 -4.624 4.448 7.067 1.00 0.00 H new ATOM 707 N LEU A 43 0.260 3.726 5.604 1.00 0.00 N ATOM 708 CA LEU A 43 1.586 3.138 5.720 1.00 0.00 C ATOM 709 C LEU A 43 1.606 2.135 6.858 1.00 0.00 C ATOM 710 O LEU A 43 2.067 1.007 6.691 1.00 0.00 O ATOM 711 CB LEU A 43 2.656 4.217 5.947 1.00 0.00 C ATOM 712 CG LEU A 43 4.046 3.559 6.056 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.359 2.771 4.777 1.00 0.00 C ATOM 714 CD2 LEU A 43 5.114 4.636 6.261 1.00 0.00 C ATOM 0 H LEU A 43 0.221 4.738 5.721 1.00 0.00 H new ATOM 0 HA LEU A 43 1.817 2.629 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.645 4.932 5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.435 4.775 6.857 1.00 0.00 H new ATOM 0 HG LEU A 43 4.046 2.878 6.907 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.343 2.311 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.607 1.995 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.350 3.447 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.095 4.166 6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.106 5.323 5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.903 5.187 7.177 1.00 0.00 H new ATOM 726 N GLN A 44 0.989 2.499 7.966 1.00 0.00 N ATOM 727 CA GLN A 44 0.859 1.585 9.082 1.00 0.00 C ATOM 728 C GLN A 44 0.106 0.351 8.618 1.00 0.00 C ATOM 729 O GLN A 44 0.513 -0.779 8.878 1.00 0.00 O ATOM 730 CB GLN A 44 0.044 2.264 10.184 1.00 0.00 C ATOM 731 CG GLN A 44 -0.069 1.358 11.407 1.00 0.00 C ATOM 732 CD GLN A 44 -1.125 1.921 12.335 1.00 0.00 C ATOM 733 OE1 GLN A 44 -0.835 2.303 13.464 1.00 0.00 O ATOM 734 NE2 GLN A 44 -2.343 1.997 11.916 1.00 0.00 N ATOM 0 H GLN A 44 0.572 3.418 8.116 1.00 0.00 H new ATOM 0 HA GLN A 44 1.845 1.310 9.456 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.516 3.205 10.465 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.951 2.506 9.811 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.334 0.345 11.103 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.890 1.296 11.921 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.580 1.678 10.976 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.069 2.376 12.524 1.00 0.00 H new ATOM 743 N LEU A 45 -0.976 0.582 7.895 1.00 0.00 N ATOM 744 CA LEU A 45 -1.777 -0.506 7.373 1.00 0.00 C ATOM 745 C LEU A 45 -0.933 -1.328 6.408 1.00 0.00 C ATOM 746 O LEU A 45 -0.855 -2.549 6.519 1.00 0.00 O ATOM 747 CB LEU A 45 -3.034 0.051 6.671 1.00 0.00 C ATOM 748 CG LEU A 45 -4.174 -0.992 6.670 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.766 -2.246 5.899 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.538 -1.369 8.113 1.00 0.00 C ATOM 0 H LEU A 45 -1.318 1.513 7.657 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.106 -1.148 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.366 0.958 7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.790 0.329 5.646 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.041 -0.550 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.586 -2.965 5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.535 -1.980 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.886 -2.690 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.342 -2.105 8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.665 -1.792 8.610 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.866 -0.479 8.650 1.00 0.00 H new ATOM 762 N ALA A 46 -0.200 -0.635 5.541 1.00 0.00 N ATOM 763 CA ALA A 46 0.703 -1.295 4.605 1.00 0.00 C ATOM 764 C ALA A 46 1.760 -2.077 5.364 1.00 0.00 C ATOM 765 O ALA A 46 2.021 -3.244 5.058 1.00 0.00 O ATOM 766 CB ALA A 46 1.369 -0.266 3.686 1.00 0.00 C ATOM 0 H ALA A 46 -0.214 0.382 5.468 1.00 0.00 H new ATOM 0 HA ALA A 46 0.123 -1.985 3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.039 -0.776 2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.604 0.268 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.938 0.443 4.286 1.00 0.00 H new ATOM 772 N LEU A 47 2.289 -1.468 6.414 1.00 0.00 N ATOM 773 CA LEU A 47 3.247 -2.155 7.263 1.00 0.00 C ATOM 774 C LEU A 47 2.591 -3.358 7.910 1.00 0.00 C ATOM 775 O LEU A 47 3.141 -4.465 7.876 1.00 0.00 O ATOM 776 CB LEU A 47 3.812 -1.204 8.330 1.00 0.00 C ATOM 777 CG LEU A 47 4.746 -0.172 7.668 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.115 0.909 8.681 1.00 0.00 C ATOM 779 CD2 LEU A 47 6.032 -0.862 7.191 1.00 0.00 C ATOM 0 H LEU A 47 2.074 -0.511 6.696 1.00 0.00 H new ATOM 0 HA LEU A 47 4.079 -2.497 6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.997 -0.694 8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.358 -1.771 9.084 1.00 0.00 H new ATOM 0 HG LEU A 47 4.231 0.275 6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.775 1.638 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.210 1.409 9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.624 0.453 9.531 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.688 -0.127 6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.541 -1.313 8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.782 -1.637 6.467 1.00 0.00 H new ATOM 791 N LYS A 48 1.352 -3.190 8.359 1.00 0.00 N ATOM 792 CA LYS A 48 0.614 -4.321 8.880 1.00 0.00 C ATOM 793 C LYS A 48 0.428 -5.365 7.803 1.00 0.00 C ATOM 794 O LYS A 48 0.608 -6.562 8.052 1.00 0.00 O ATOM 795 CB LYS A 48 -0.753 -3.911 9.450 1.00 0.00 C ATOM 796 CG LYS A 48 -0.560 -3.135 10.762 1.00 0.00 C ATOM 797 CD LYS A 48 -1.932 -2.779 11.350 1.00 0.00 C ATOM 798 CE LYS A 48 -1.749 -2.105 12.716 1.00 0.00 C ATOM 799 NZ LYS A 48 -3.074 -1.827 13.336 1.00 0.00 N ATOM 0 H LYS A 48 0.852 -2.301 8.371 1.00 0.00 H new ATOM 0 HA LYS A 48 1.201 -4.738 9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.288 -3.294 8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.363 -4.796 9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.008 -3.736 11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.016 -2.228 10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.467 -2.112 10.673 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.538 -3.679 11.456 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.161 -2.748 13.371 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.192 -1.175 12.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.936 -1.355 14.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.628 -1.210 12.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.584 -2.722 13.480 1.00 0.00 H new ATOM 813 N ILE A 49 0.122 -4.923 6.596 1.00 0.00 N ATOM 814 CA ILE A 49 -0.054 -5.860 5.511 1.00 0.00 C ATOM 815 C ILE A 49 1.256 -6.582 5.271 1.00 0.00 C ATOM 816 O ILE A 49 1.290 -7.809 5.192 1.00 0.00 O ATOM 817 CB ILE A 49 -0.524 -5.142 4.227 1.00 0.00 C ATOM 818 CG1 ILE A 49 -1.923 -4.570 4.458 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.606 -6.151 3.069 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.333 -3.706 3.261 1.00 0.00 C ATOM 0 H ILE A 49 -0.007 -3.942 6.349 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.826 -6.581 5.781 1.00 0.00 H new ATOM 0 HB ILE A 49 0.182 -4.348 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.639 -5.380 4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.936 -3.974 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.938 -5.641 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.377 -6.589 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.315 -6.939 3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.331 -3.300 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.623 -2.887 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.337 -4.315 2.357 1.00 0.00 H new ATOM 832 N ALA A 50 2.342 -5.834 5.258 1.00 0.00 N ATOM 833 CA ALA A 50 3.652 -6.432 5.091 1.00 0.00 C ATOM 834 C ALA A 50 3.933 -7.438 6.200 1.00 0.00 C ATOM 835 O ALA A 50 4.341 -8.578 5.932 1.00 0.00 O ATOM 836 CB ALA A 50 4.740 -5.351 5.085 1.00 0.00 C ATOM 0 H ALA A 50 2.344 -4.819 5.360 1.00 0.00 H new ATOM 0 HA ALA A 50 3.663 -6.953 4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.717 -5.818 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.560 -4.658 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.718 -4.807 6.029 1.00 0.00 H new ATOM 842 N TYR A 51 3.770 -7.007 7.444 1.00 0.00 N ATOM 843 CA TYR A 51 4.081 -7.874 8.578 1.00 0.00 C ATOM 844 C TYR A 51 3.094 -9.020 8.730 1.00 0.00 C ATOM 845 O TYR A 51 3.498 -10.180 8.806 1.00 0.00 O ATOM 846 CB TYR A 51 4.193 -7.071 9.881 1.00 0.00 C ATOM 847 CG TYR A 51 5.293 -6.045 9.723 1.00 0.00 C ATOM 848 CD1 TYR A 51 6.577 -6.453 9.359 1.00 0.00 C ATOM 849 CD2 TYR A 51 5.025 -4.688 9.925 1.00 0.00 C ATOM 850 CE1 TYR A 51 7.587 -5.510 9.191 1.00 0.00 C ATOM 851 CE2 TYR A 51 6.040 -3.744 9.760 1.00 0.00 C ATOM 852 CZ TYR A 51 7.321 -4.157 9.396 1.00 0.00 C ATOM 853 OH TYR A 51 8.322 -3.228 9.219 1.00 0.00 O ATOM 0 H TYR A 51 3.430 -6.078 7.694 1.00 0.00 H new ATOM 0 HA TYR A 51 5.052 -8.320 8.365 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.246 -6.579 10.105 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.413 -7.735 10.717 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.787 -7.501 9.208 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.033 -4.370 10.209 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.578 -5.827 8.901 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.833 -2.695 9.914 1.00 0.00 H new ATOM 0 HH TYR A 51 7.972 -2.331 9.400 1.00 0.00 H new ATOM 863 N TYR A 52 1.803 -8.715 8.728 1.00 0.00 N ATOM 864 CA TYR A 52 0.795 -9.763 8.873 1.00 0.00 C ATOM 865 C TYR A 52 0.812 -10.722 7.710 1.00 0.00 C ATOM 866 O TYR A 52 0.737 -11.941 7.895 1.00 0.00 O ATOM 867 CB TYR A 52 -0.602 -9.183 9.064 1.00 0.00 C ATOM 868 CG TYR A 52 -0.750 -8.720 10.493 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.981 -9.655 11.512 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.651 -7.364 10.802 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.113 -9.229 12.834 1.00 0.00 C ATOM 872 CE2 TYR A 52 -0.778 -6.940 12.120 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.009 -7.868 13.138 1.00 0.00 C ATOM 874 OH TYR A 52 -1.134 -7.439 14.442 1.00 0.00 O ATOM 0 H TYR A 52 1.431 -7.770 8.630 1.00 0.00 H new ATOM 0 HA TYR A 52 1.055 -10.320 9.773 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.760 -8.349 8.380 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.357 -9.934 8.831 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.057 -10.706 11.273 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.476 -6.643 10.017 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.295 -9.948 13.620 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.698 -5.889 12.357 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.034 -6.465 14.477 1.00 0.00 H new ATOM 884 N LEU A 53 0.950 -10.182 6.517 1.00 0.00 N ATOM 885 CA LEU A 53 0.996 -10.996 5.316 1.00 0.00 C ATOM 886 C LEU A 53 2.370 -11.636 5.182 1.00 0.00 C ATOM 887 O LEU A 53 2.597 -12.472 4.306 1.00 0.00 O ATOM 888 CB LEU A 53 0.634 -10.154 4.072 1.00 0.00 C ATOM 889 CG LEU A 53 -0.024 -10.997 2.945 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.014 -11.402 1.909 1.00 0.00 C ATOM 891 CD2 LEU A 53 -0.715 -12.252 3.497 1.00 0.00 C ATOM 0 H LEU A 53 1.033 -9.179 6.351 1.00 0.00 H new ATOM 0 HA LEU A 53 0.256 -11.792 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.046 -9.354 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.536 -9.679 3.685 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.783 -10.370 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.536 -11.992 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.458 -10.508 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.793 -11.996 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.162 -12.812 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.019 -12.877 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.493 -11.959 4.202 1.00 0.00 H new ATOM 903 N ASN A 54 3.299 -11.211 6.034 1.00 0.00 N ATOM 904 CA ASN A 54 4.665 -11.729 6.006 1.00 0.00 C ATOM 905 C ASN A 54 5.289 -11.471 4.651 1.00 0.00 C ATOM 906 O ASN A 54 5.652 -12.405 3.925 1.00 0.00 O ATOM 907 CB ASN A 54 4.696 -13.232 6.335 1.00 0.00 C ATOM 908 CG ASN A 54 4.587 -13.458 7.834 1.00 0.00 C ATOM 909 OD1 ASN A 54 5.384 -14.197 8.415 1.00 0.00 O ATOM 910 ND2 ASN A 54 3.653 -12.868 8.500 1.00 0.00 N ATOM 0 H ASN A 54 3.131 -10.508 6.754 1.00 0.00 H new ATOM 0 HA ASN A 54 5.244 -11.209 6.769 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.875 -13.737 5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.621 -13.672 5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.575 -13.013 9.507 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.993 -12.256 8.020 1.00 0.00 H new ATOM 917 N THR A 55 5.306 -10.213 4.272 1.00 0.00 N ATOM 918 CA THR A 55 5.819 -9.794 2.985 1.00 0.00 C ATOM 919 C THR A 55 6.454 -8.415 3.117 1.00 0.00 C ATOM 920 O THR A 55 5.928 -7.561 3.823 1.00 0.00 O ATOM 921 CB THR A 55 4.665 -9.731 1.980 1.00 0.00 C ATOM 922 OG1 THR A 55 3.997 -10.991 1.947 1.00 0.00 O ATOM 923 CG2 THR A 55 5.199 -9.382 0.584 1.00 0.00 C ATOM 0 H THR A 55 4.963 -9.446 4.851 1.00 0.00 H new ATOM 0 HA THR A 55 6.568 -10.506 2.639 1.00 0.00 H new ATOM 0 HB THR A 55 3.962 -8.957 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.411 -11.563 1.268 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.370 -9.340 -0.123 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.697 -8.413 0.617 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.909 -10.145 0.265 1.00 0.00 H new ATOM 931 N PRO A 56 7.525 -8.153 2.413 1.00 0.00 N ATOM 932 CA PRO A 56 8.162 -6.807 2.428 1.00 0.00 C ATOM 933 C PRO A 56 7.184 -5.749 1.930 1.00 0.00 C ATOM 934 O PRO A 56 6.446 -5.981 0.963 1.00 0.00 O ATOM 935 CB PRO A 56 9.330 -6.952 1.440 1.00 0.00 C ATOM 936 CG PRO A 56 9.604 -8.419 1.390 1.00 0.00 C ATOM 937 CD PRO A 56 8.248 -9.094 1.539 1.00 0.00 C ATOM 0 HA PRO A 56 8.477 -6.498 3.425 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.067 -6.565 0.456 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.205 -6.397 1.777 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.079 -8.697 0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.281 -8.719 2.190 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.749 -9.222 0.578 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.333 -10.083 1.988 1.00 0.00 H new ATOM 945 N LEU A 57 7.257 -4.563 2.512 1.00 0.00 N ATOM 946 CA LEU A 57 6.420 -3.451 2.075 1.00 0.00 C ATOM 947 C LEU A 57 6.734 -3.187 0.613 1.00 0.00 C ATOM 948 O LEU A 57 5.855 -2.871 -0.205 1.00 0.00 O ATOM 949 CB LEU A 57 6.752 -2.194 2.912 1.00 0.00 C ATOM 950 CG LEU A 57 5.552 -1.226 2.972 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.952 -1.003 1.580 1.00 0.00 C ATOM 952 CD2 LEU A 57 4.478 -1.789 3.907 1.00 0.00 C ATOM 0 H LEU A 57 7.884 -4.343 3.286 1.00 0.00 H new ATOM 0 HA LEU A 57 5.364 -3.689 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.033 -2.491 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.612 -1.683 2.479 1.00 0.00 H new ATOM 0 HG LEU A 57 5.907 -0.268 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.108 -0.317 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.709 -0.578 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.611 -1.955 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.633 -1.102 3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.142 -2.757 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.894 -1.910 4.907 1.00 0.00 H new ATOM 964 N GLU A 58 7.995 -3.356 0.296 1.00 0.00 N ATOM 965 CA GLU A 58 8.504 -3.133 -1.028 1.00 0.00 C ATOM 966 C GLU A 58 7.784 -4.016 -2.042 1.00 0.00 C ATOM 967 O GLU A 58 7.469 -3.567 -3.143 1.00 0.00 O ATOM 968 CB GLU A 58 10.005 -3.446 -1.022 1.00 0.00 C ATOM 969 CG GLU A 58 10.722 -2.415 -0.133 1.00 0.00 C ATOM 970 CD GLU A 58 12.205 -2.730 0.007 1.00 0.00 C ATOM 971 OE1 GLU A 58 12.636 -3.753 -0.476 1.00 0.00 O ATOM 972 OE2 GLU A 58 12.895 -1.929 0.586 1.00 0.00 O ATOM 0 H GLU A 58 8.704 -3.657 0.964 1.00 0.00 H new ATOM 0 HA GLU A 58 8.336 -2.096 -1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.179 -4.454 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.402 -3.411 -2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.600 -1.419 -0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.258 -2.399 0.853 1.00 0.00 H new ATOM 979 N ASP A 59 7.533 -5.270 -1.677 1.00 0.00 N ATOM 980 CA ASP A 59 6.851 -6.193 -2.589 1.00 0.00 C ATOM 981 C ASP A 59 5.389 -5.823 -2.752 1.00 0.00 C ATOM 982 O ASP A 59 4.836 -5.910 -3.848 1.00 0.00 O ATOM 983 CB ASP A 59 6.920 -7.636 -2.064 1.00 0.00 C ATOM 984 CG ASP A 59 6.957 -8.625 -3.217 1.00 0.00 C ATOM 985 OD1 ASP A 59 7.639 -8.365 -4.179 1.00 0.00 O ATOM 986 OD2 ASP A 59 6.331 -9.647 -3.111 1.00 0.00 O ATOM 0 H ASP A 59 7.785 -5.669 -0.773 1.00 0.00 H new ATOM 0 HA ASP A 59 7.360 -6.120 -3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.807 -7.760 -1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.056 -7.840 -1.431 1.00 0.00 H new ATOM 991 N ILE A 60 4.737 -5.586 -1.628 1.00 0.00 N ATOM 992 CA ILE A 60 3.288 -5.412 -1.595 1.00 0.00 C ATOM 993 C ILE A 60 2.811 -4.108 -2.215 1.00 0.00 C ATOM 994 O ILE A 60 1.812 -4.100 -2.930 1.00 0.00 O ATOM 995 CB ILE A 60 2.763 -5.572 -0.165 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.458 -4.568 0.753 1.00 0.00 C ATOM 997 CG2 ILE A 60 3.051 -6.985 0.344 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.919 -4.731 2.167 1.00 0.00 C ATOM 0 H ILE A 60 5.189 -5.508 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 60 2.870 -6.200 -2.221 1.00 0.00 H new ATOM 0 HB ILE A 60 1.687 -5.395 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.536 -4.730 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.284 -3.552 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.674 -7.089 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.558 -7.712 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.126 -7.163 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.411 -4.017 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.844 -4.548 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.115 -5.745 2.517 1.00 0.00 H new ATOM 1010 N PHE A 61 3.489 -3.004 -1.909 1.00 0.00 N ATOM 1011 CA PHE A 61 3.070 -1.698 -2.435 1.00 0.00 C ATOM 1012 C PHE A 61 4.256 -0.808 -2.758 1.00 0.00 C ATOM 1013 O PHE A 61 4.103 0.202 -3.450 1.00 0.00 O ATOM 1014 CB PHE A 61 2.173 -0.960 -1.424 1.00 0.00 C ATOM 1015 CG PHE A 61 0.946 -1.780 -1.090 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -0.117 -1.858 -1.998 1.00 0.00 C ATOM 1017 CD2 PHE A 61 0.869 -2.459 0.133 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -1.253 -2.615 -1.684 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -0.264 -3.213 0.445 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.326 -3.291 -0.461 1.00 0.00 C ATOM 0 H PHE A 61 4.316 -2.981 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 61 2.516 -1.900 -3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.737 -0.755 -0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.871 0.003 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.061 -1.334 -2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.687 -2.399 0.835 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.072 -2.677 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.320 -3.737 1.388 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.203 -3.873 -0.217 1.00 0.00 H new ATOM 1030 N GLN A 62 5.411 -1.126 -2.167 1.00 0.00 N ATOM 1031 CA GLN A 62 6.595 -0.261 -2.221 1.00 0.00 C ATOM 1032 C GLN A 62 6.238 1.182 -1.897 1.00 0.00 C ATOM 1033 O GLN A 62 5.097 1.484 -1.534 1.00 0.00 O ATOM 1034 CB GLN A 62 7.372 -0.364 -3.547 1.00 0.00 C ATOM 1035 CG GLN A 62 6.520 -1.010 -4.630 1.00 0.00 C ATOM 1036 CD GLN A 62 7.400 -1.395 -5.799 1.00 0.00 C ATOM 1037 OE1 GLN A 62 8.170 -0.576 -6.297 1.00 0.00 O ATOM 1038 NE2 GLN A 62 7.343 -2.592 -6.261 1.00 0.00 N ATOM 0 H GLN A 62 5.553 -1.987 -1.639 1.00 0.00 H new ATOM 0 HA GLN A 62 7.272 -0.629 -1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.683 0.630 -3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.280 -0.949 -3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.016 -1.892 -4.234 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.743 -0.319 -4.957 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.703 -3.269 -5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.938 -2.866 -7.043 1.00 0.00 H new ATOM 1047 N TRP A 63 7.232 2.045 -1.889 1.00 0.00 N ATOM 1048 CA TRP A 63 6.993 3.425 -1.509 1.00 0.00 C ATOM 1049 C TRP A 63 6.104 4.144 -2.510 1.00 0.00 C ATOM 1050 O TRP A 63 5.107 4.742 -2.126 1.00 0.00 O ATOM 1051 CB TRP A 63 8.295 4.199 -1.292 1.00 0.00 C ATOM 1052 CG TRP A 63 7.955 5.638 -1.063 1.00 0.00 C ATOM 1053 CD1 TRP A 63 8.382 6.677 -1.815 1.00 0.00 C ATOM 1054 CD2 TRP A 63 7.077 6.201 -0.050 1.00 0.00 C ATOM 1055 NE1 TRP A 63 7.844 7.843 -1.304 1.00 0.00 N ATOM 1056 CE2 TRP A 63 7.030 7.598 -0.219 1.00 0.00 C ATOM 1057 CE3 TRP A 63 6.332 5.634 1.000 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 6.271 8.409 0.616 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 5.564 6.448 1.845 1.00 0.00 C ATOM 1060 CH2 TRP A 63 5.535 7.833 1.651 1.00 0.00 C ATOM 0 H TRP A 63 8.197 1.824 -2.136 1.00 0.00 H new ATOM 0 HA TRP A 63 6.466 3.391 -0.556 1.00 0.00 H new ATOM 0 HB2 TRP A 63 8.838 3.797 -0.437 1.00 0.00 H new ATOM 0 HB3 TRP A 63 8.947 4.096 -2.160 1.00 0.00 H new ATOM 0 HD1 TRP A 63 9.035 6.608 -2.672 1.00 0.00 H new ATOM 0 HE1 TRP A 63 8.027 8.772 -1.684 1.00 0.00 H new ATOM 0 HE3 TRP A 63 6.352 4.566 1.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 6.251 9.478 0.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 4.993 6.004 2.648 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.942 8.457 2.303 1.00 0.00 H new ATOM 1071 N GLN A 64 6.471 4.060 -3.787 1.00 0.00 N ATOM 1072 CA GLN A 64 5.738 4.713 -4.879 1.00 0.00 C ATOM 1073 C GLN A 64 5.163 6.077 -4.457 1.00 0.00 C ATOM 1074 O GLN A 64 4.085 6.153 -3.863 1.00 0.00 O ATOM 1075 CB GLN A 64 4.624 3.806 -5.407 1.00 0.00 C ATOM 1076 CG GLN A 64 5.066 2.338 -5.349 1.00 0.00 C ATOM 1077 CD GLN A 64 6.409 2.146 -6.054 1.00 0.00 C ATOM 1078 OE1 GLN A 64 7.463 2.416 -5.469 1.00 0.00 O ATOM 1079 NE2 GLN A 64 6.441 1.710 -7.274 1.00 0.00 N ATOM 0 H GLN A 64 7.288 3.536 -4.099 1.00 0.00 H new ATOM 0 HA GLN A 64 6.455 4.893 -5.680 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.720 3.945 -4.814 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.378 4.079 -6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.147 2.019 -4.310 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.311 1.707 -5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.572 1.487 -7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.335 1.590 -7.750 1.00 0.00 H new ATOM 1088 N PRO A 65 5.847 7.150 -4.773 1.00 0.00 N ATOM 1089 CA PRO A 65 5.400 8.528 -4.402 1.00 0.00 C ATOM 1090 C PRO A 65 4.068 8.911 -5.044 1.00 0.00 C ATOM 1091 O PRO A 65 3.444 9.890 -4.627 1.00 0.00 O ATOM 1092 CB PRO A 65 6.539 9.431 -4.898 1.00 0.00 C ATOM 1093 CG PRO A 65 7.226 8.634 -5.957 1.00 0.00 C ATOM 1094 CD PRO A 65 7.119 7.175 -5.522 1.00 0.00 C ATOM 0 HA PRO A 65 5.218 8.617 -3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.154 10.370 -5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.223 9.685 -4.088 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.755 8.787 -6.928 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.269 8.936 -6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.099 6.499 -6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.962 6.876 -4.899 1.00 0.00 H new ATOM 1102 N GLU A 66 3.689 8.174 -6.097 1.00 0.00 N ATOM 1103 CA GLU A 66 2.450 8.405 -6.866 1.00 0.00 C ATOM 1104 C GLU A 66 2.673 9.472 -7.924 1.00 0.00 C ATOM 1105 O GLU A 66 1.879 9.563 -8.831 1.00 0.00 O ATOM 1106 CB GLU A 66 1.280 8.829 -5.963 1.00 0.00 C ATOM 1107 CG GLU A 66 0.936 7.712 -4.968 1.00 0.00 C ATOM 1108 CD GLU A 66 -0.151 8.164 -4.003 1.00 0.00 C ATOM 1109 OE1 GLU A 66 -0.629 9.275 -4.135 1.00 0.00 O ATOM 1110 OE2 GLU A 66 -0.497 7.401 -3.140 1.00 0.00 O ATOM 1111 OXT GLU A 66 3.633 10.192 -7.810 1.00 0.00 O ATOM 0 H GLU A 66 4.239 7.389 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 66 2.191 7.458 -7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.542 9.738 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.408 9.062 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.603 6.826 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.828 7.428 -4.410 1.00 0.00 H new TER 1118 GLU A 66