USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 800 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 86 GLN : amide:sc= 0 X(o=0,f=0.23) USER MOD Set 1.2: A 90 LYS NZ :NH3+ -168:sc= 0 (180deg=0) USER MOD Set 2.1: A 63 HIS : no HD1:sc= -0.931! C(o=-0.93!,f=-2.5!) USER MOD Set 2.2: A 72 ASN : amide:sc= 0 X(o=-0.93,f=-0.93) USER MOD Set 3.1: A 37 LYS NZ :NH3+ -109:sc= 0.715 (180deg=0) USER MOD Set 3.2: A 48 ASN : amide:sc= 0.718 K(o=1.4,f=-3.8!) USER MOD Set 4.1: A 11 CYS SG : rot -148:sc= -4.01! USER MOD Set 4.2: A 17 HIS : no HD1:sc= -0.808 K(o=-4.8,f=-13!) USER MOD Single : A 3 LYS NZ :NH3+ 154:sc= 0.948 (180deg=0.514) USER MOD Single : A 4 LYS NZ :NH3+ 140:sc= 1.27 (180deg=-0.185) USER MOD Single : A 9 CYS SG : rot 40:sc= -0.138 USER MOD Single : A 13 MET CE :methyl -166:sc= -0.0782 (180deg=-0.366) USER MOD Single : A 18 THR OG1 : rot -20:sc= 0.396 USER MOD Single : A 20 MET CE :methyl -113:sc= -1.09 (180deg=-2.16!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot -156:sc= -0.998 USER MOD Single : A 40 THR OG1 : rot -110:sc= -0.692 USER MOD Single : A 41 GLN : amide:sc= -5.17! C(o=-5.2!,f=-9.9!) USER MOD Single : A 47 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.013) USER MOD Single : A 51 THR OG1 : rot -67:sc= 0.963 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot -160:sc= 0 USER MOD Single : A 64 SER OG : rot 91:sc= -2.32! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -31:sc= 0.231 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc=-0.00156 USER MOD Single : A 91 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.26) USER MOD Single : A 97 LYS NZ :NH3+ -151:sc= 1.19 (180deg=0.654) USER MOD Single : A 102 MET CE :methyl -173:sc= -0.64 (180deg=-0.889) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.222 K(o=-0.22,f=-3.6!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 3 7.618 -1.123 -1.736 1.00 0.00 N ATOM 30 CA LYS A 3 8.994 -0.714 -1.370 1.00 0.00 C ATOM 31 C LYS A 3 10.056 -1.580 -2.084 1.00 0.00 C ATOM 32 O LYS A 3 9.727 -2.466 -2.895 1.00 0.00 O ATOM 33 CB LYS A 3 9.176 -0.718 0.190 1.00 0.00 C ATOM 34 CG LYS A 3 8.339 -1.763 0.950 1.00 0.00 C ATOM 35 CD LYS A 3 8.561 -1.739 2.484 1.00 0.00 C ATOM 36 CE LYS A 3 7.884 -2.935 3.176 1.00 0.00 C ATOM 37 NZ LYS A 3 8.089 -2.947 4.653 1.00 0.00 N ATOM 0 HA LYS A 3 9.147 0.308 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.229 -0.887 0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.923 0.272 0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.283 -1.592 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.582 -2.756 0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.630 -1.753 2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.166 -0.810 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.815 -2.913 2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.274 -3.861 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.306 -3.459 5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.988 -3.421 4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.116 -1.970 5.008 1.00 0.00 H new ATOM 51 N LYS A 4 11.342 -1.326 -1.778 1.00 0.00 N ATOM 52 CA LYS A 4 12.459 -1.978 -2.485 1.00 0.00 C ATOM 53 C LYS A 4 13.597 -2.299 -1.486 1.00 0.00 C ATOM 54 O LYS A 4 13.885 -1.515 -0.575 1.00 0.00 O ATOM 55 CB LYS A 4 12.924 -1.050 -3.672 1.00 0.00 C ATOM 56 CG LYS A 4 13.453 -1.762 -4.947 1.00 0.00 C ATOM 57 CD LYS A 4 14.828 -2.427 -4.764 1.00 0.00 C ATOM 58 CE LYS A 4 15.320 -3.130 -6.038 1.00 0.00 C ATOM 59 NZ LYS A 4 15.359 -2.220 -7.211 1.00 0.00 N ATOM 0 H LYS A 4 11.632 -0.676 -1.048 1.00 0.00 H new ATOM 0 HA LYS A 4 12.145 -2.929 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.084 -0.418 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.708 -0.390 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.732 -2.520 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.517 -1.036 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.556 -1.672 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.771 -3.152 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.317 -3.535 -5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.667 -3.974 -6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.214 -2.412 -7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.516 -2.376 -7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.374 -1.233 -6.884 1.00 0.00 H new ATOM 73 N LEU A 5 14.220 -3.467 -1.670 1.00 0.00 N ATOM 74 CA LEU A 5 15.376 -3.928 -0.887 1.00 0.00 C ATOM 75 C LEU A 5 16.460 -4.341 -1.871 1.00 0.00 C ATOM 76 O LEU A 5 16.171 -4.933 -2.917 1.00 0.00 O ATOM 77 CB LEU A 5 14.984 -5.121 0.050 1.00 0.00 C ATOM 78 CG LEU A 5 16.133 -5.752 0.946 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.594 -6.264 2.294 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.876 -6.912 0.246 1.00 0.00 C ATOM 0 H LEU A 5 13.930 -4.135 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 5 15.736 -3.128 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.188 -4.782 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.566 -5.914 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 5 16.837 -4.937 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.413 -6.688 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.147 -5.436 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.840 -7.031 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.649 -7.301 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.168 -7.706 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.335 -6.548 -0.673 1.00 0.00 H new ATOM 92 N ILE A 6 17.709 -4.008 -1.564 1.00 0.00 N ATOM 93 CA ILE A 6 18.868 -4.479 -2.325 1.00 0.00 C ATOM 94 C ILE A 6 19.905 -5.027 -1.341 1.00 0.00 C ATOM 95 O ILE A 6 19.777 -4.848 -0.117 1.00 0.00 O ATOM 96 CB ILE A 6 19.503 -3.355 -3.232 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.242 -2.285 -2.379 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.436 -2.697 -4.140 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.906 -1.197 -3.182 1.00 0.00 C ATOM 0 H ILE A 6 17.950 -3.403 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 6 18.534 -5.262 -3.006 1.00 0.00 H new ATOM 0 HB ILE A 6 20.241 -3.835 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.528 -1.829 -1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 6 20.997 -2.782 -1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.905 -1.927 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 6 17.991 -3.454 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.660 -2.246 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.397 -0.495 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.647 -1.638 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.155 -0.670 -3.771 1.00 0.00 H new ATOM 111 N ALA A 7 20.927 -5.693 -1.874 1.00 0.00 N ATOM 112 CA ALA A 7 22.036 -6.211 -1.072 1.00 0.00 C ATOM 113 C ALA A 7 23.286 -6.359 -1.934 1.00 0.00 C ATOM 114 O ALA A 7 23.223 -6.281 -3.163 1.00 0.00 O ATOM 115 CB ALA A 7 21.657 -7.548 -0.401 1.00 0.00 C ATOM 0 H ALA A 7 21.011 -5.889 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 7 22.252 -5.497 -0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.499 -7.911 0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.796 -7.397 0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.408 -8.282 -1.167 1.00 0.00 H new ATOM 121 N LEU A 8 24.420 -6.577 -1.275 1.00 0.00 N ATOM 122 CA LEU A 8 25.707 -6.783 -1.936 1.00 0.00 C ATOM 123 C LEU A 8 26.421 -7.911 -1.194 1.00 0.00 C ATOM 124 O LEU A 8 26.747 -7.775 -0.014 1.00 0.00 O ATOM 125 CB LEU A 8 26.551 -5.464 -1.945 1.00 0.00 C ATOM 126 CG LEU A 8 27.681 -5.331 -3.034 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.319 -3.924 -3.003 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.774 -6.414 -2.895 1.00 0.00 C ATOM 0 H LEU A 8 24.473 -6.616 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 8 25.566 -7.057 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.865 -4.626 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.014 -5.354 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 8 27.196 -5.482 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.096 -3.860 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.554 -3.173 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.758 -3.745 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.526 -6.273 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.244 -6.333 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.324 -7.401 -3.001 1.00 0.00 H new ATOM 140 N CYS A 9 26.635 -9.027 -1.891 1.00 0.00 N ATOM 141 CA CYS A 9 27.357 -10.179 -1.366 1.00 0.00 C ATOM 142 C CYS A 9 28.755 -10.227 -2.002 1.00 0.00 C ATOM 143 O CYS A 9 28.868 -10.439 -3.206 1.00 0.00 O ATOM 144 CB CYS A 9 26.548 -11.456 -1.651 1.00 0.00 C ATOM 145 SG CYS A 9 24.878 -11.423 -0.955 1.00 0.00 S ATOM 0 H CYS A 9 26.306 -9.155 -2.848 1.00 0.00 H new ATOM 0 HA CYS A 9 27.483 -10.099 -0.286 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.481 -11.601 -2.729 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.085 -12.314 -1.247 1.00 0.00 H new ATOM 0 HG CYS A 9 24.368 -10.237 -1.106 1.00 0.00 H new ATOM 151 N ALA A 10 29.817 -10.001 -1.193 1.00 0.00 N ATOM 152 CA ALA A 10 31.213 -9.942 -1.698 1.00 0.00 C ATOM 153 C ALA A 10 32.137 -10.905 -0.928 1.00 0.00 C ATOM 154 O ALA A 10 32.171 -10.896 0.309 1.00 0.00 O ATOM 155 CB ALA A 10 31.770 -8.511 -1.646 1.00 0.00 C ATOM 0 H ALA A 10 29.735 -9.856 -0.187 1.00 0.00 H new ATOM 0 HA ALA A 10 31.186 -10.260 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.793 -8.505 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.152 -7.858 -2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.760 -8.154 -0.616 1.00 0.00 H new ATOM 161 N CYS A 11 32.870 -11.741 -1.681 1.00 0.00 N ATOM 162 CA CYS A 11 33.882 -12.671 -1.144 1.00 0.00 C ATOM 163 C CYS A 11 35.233 -12.449 -1.856 1.00 0.00 C ATOM 164 O CYS A 11 35.254 -12.056 -3.026 1.00 0.00 O ATOM 165 CB CYS A 11 33.423 -14.147 -1.314 1.00 0.00 C ATOM 166 SG CYS A 11 32.254 -14.701 -0.060 1.00 0.00 S ATOM 0 H CYS A 11 32.776 -11.792 -2.695 1.00 0.00 H new ATOM 0 HA CYS A 11 34.002 -12.472 -0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.968 -14.264 -2.297 1.00 0.00 H new ATOM 0 HB3 CYS A 11 34.300 -14.794 -1.290 1.00 0.00 H new ATOM 0 HG CYS A 11 32.426 -15.970 0.163 1.00 0.00 H new ATOM 172 N PRO A 12 36.385 -12.728 -1.161 1.00 0.00 N ATOM 173 CA PRO A 12 37.733 -12.677 -1.785 1.00 0.00 C ATOM 174 C PRO A 12 38.066 -13.977 -2.561 1.00 0.00 C ATOM 175 O PRO A 12 39.141 -14.101 -3.162 1.00 0.00 O ATOM 176 CB PRO A 12 38.653 -12.496 -0.555 1.00 0.00 C ATOM 177 CG PRO A 12 37.966 -13.253 0.544 1.00 0.00 C ATOM 178 CD PRO A 12 36.473 -13.117 0.285 1.00 0.00 C ATOM 0 HA PRO A 12 37.835 -11.888 -2.531 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.651 -12.891 -0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.770 -11.443 -0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.267 -14.300 0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.230 -12.847 1.520 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.948 -14.053 0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.024 -12.361 0.929 1.00 0.00 H new ATOM 186 N MET A 13 37.113 -14.927 -2.539 1.00 0.00 N ATOM 187 CA MET A 13 37.278 -16.278 -3.091 1.00 0.00 C ATOM 188 C MET A 13 36.636 -16.371 -4.486 1.00 0.00 C ATOM 189 O MET A 13 37.324 -16.618 -5.484 1.00 0.00 O ATOM 190 CB MET A 13 36.624 -17.300 -2.121 1.00 0.00 C ATOM 191 CG MET A 13 36.824 -18.777 -2.488 1.00 0.00 C ATOM 192 SD MET A 13 35.886 -19.896 -1.419 1.00 0.00 S ATOM 193 CE MET A 13 36.546 -19.509 0.206 1.00 0.00 C ATOM 0 H MET A 13 36.192 -14.771 -2.129 1.00 0.00 H new ATOM 0 HA MET A 13 38.339 -16.503 -3.195 1.00 0.00 H new ATOM 0 HB2 MET A 13 37.025 -17.134 -1.121 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.554 -17.097 -2.073 1.00 0.00 H new ATOM 0 HG2 MET A 13 36.523 -18.934 -3.524 1.00 0.00 H new ATOM 0 HG3 MET A 13 37.884 -19.023 -2.423 1.00 0.00 H new ATOM 0 HE1 MET A 13 36.247 -20.282 0.914 1.00 0.00 H new ATOM 0 HE2 MET A 13 37.634 -19.464 0.156 1.00 0.00 H new ATOM 0 HE3 MET A 13 36.158 -18.545 0.536 1.00 0.00 H new ATOM 203 N GLY A 14 35.306 -16.164 -4.538 1.00 0.00 N ATOM 204 CA GLY A 14 34.552 -16.291 -5.784 1.00 0.00 C ATOM 205 C GLY A 14 33.062 -16.026 -5.617 1.00 0.00 C ATOM 206 O GLY A 14 32.592 -15.711 -4.513 1.00 0.00 O ATOM 0 H GLY A 14 34.739 -15.909 -3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 14 34.958 -15.595 -6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.693 -17.295 -6.185 1.00 0.00 H new ATOM 210 N LEU A 15 32.324 -16.169 -6.733 1.00 0.00 N ATOM 211 CA LEU A 15 30.890 -15.847 -6.821 1.00 0.00 C ATOM 212 C LEU A 15 29.970 -16.967 -6.300 1.00 0.00 C ATOM 213 O LEU A 15 28.806 -16.700 -6.021 1.00 0.00 O ATOM 214 CB LEU A 15 30.517 -15.466 -8.285 1.00 0.00 C ATOM 215 CG LEU A 15 31.063 -14.089 -8.784 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.700 -13.841 -10.265 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.550 -12.935 -7.885 1.00 0.00 C ATOM 0 H LEU A 15 32.713 -16.516 -7.610 1.00 0.00 H new ATOM 0 HA LEU A 15 30.723 -14.994 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.887 -16.246 -8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.431 -15.460 -8.374 1.00 0.00 H new ATOM 0 HG LEU A 15 32.150 -14.118 -8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.095 -12.875 -10.580 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.133 -14.628 -10.882 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.616 -13.845 -10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.943 -11.986 -8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.461 -12.911 -7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.886 -13.095 -6.860 1.00 0.00 H new ATOM 229 N ALA A 16 30.475 -18.202 -6.159 1.00 0.00 N ATOM 230 CA ALA A 16 29.653 -19.336 -5.669 1.00 0.00 C ATOM 231 C ALA A 16 29.120 -19.059 -4.250 1.00 0.00 C ATOM 232 O ALA A 16 27.922 -19.233 -3.973 1.00 0.00 O ATOM 233 CB ALA A 16 30.454 -20.640 -5.693 1.00 0.00 C ATOM 0 H ALA A 16 31.441 -18.447 -6.374 1.00 0.00 H new ATOM 0 HA ALA A 16 28.800 -19.443 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 16 29.830 -21.457 -5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.772 -20.853 -6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.331 -20.540 -5.053 1.00 0.00 H new ATOM 239 N HIS A 17 30.030 -18.577 -3.385 1.00 0.00 N ATOM 240 CA HIS A 17 29.719 -18.265 -1.982 1.00 0.00 C ATOM 241 C HIS A 17 28.783 -17.045 -1.898 1.00 0.00 C ATOM 242 O HIS A 17 27.879 -16.996 -1.050 1.00 0.00 O ATOM 243 CB HIS A 17 31.030 -18.002 -1.190 1.00 0.00 C ATOM 244 CG HIS A 17 30.888 -18.106 0.307 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.674 -17.398 1.190 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.079 -18.880 1.070 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.345 -17.729 2.423 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.385 -18.625 2.376 1.00 0.00 N ATOM 0 H HIS A 17 31.000 -18.394 -3.640 1.00 0.00 H new ATOM 0 HA HIS A 17 29.209 -19.120 -1.537 1.00 0.00 H new ATOM 0 HB2 HIS A 17 31.788 -18.712 -1.521 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.396 -17.006 -1.439 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.330 -19.571 0.711 1.00 0.00 H new ATOM 0 HE1 HIS A 17 31.791 -17.330 3.322 1.00 0.00 H new ATOM 0 HE2 HIS A 17 29.940 -19.060 3.184 1.00 0.00 H new ATOM 257 N THR A 18 29.000 -16.076 -2.807 1.00 0.00 N ATOM 258 CA THR A 18 28.192 -14.855 -2.866 1.00 0.00 C ATOM 259 C THR A 18 26.756 -15.177 -3.332 1.00 0.00 C ATOM 260 O THR A 18 25.824 -14.497 -2.941 1.00 0.00 O ATOM 261 CB THR A 18 28.829 -13.767 -3.794 1.00 0.00 C ATOM 262 OG1 THR A 18 28.789 -14.171 -5.159 1.00 0.00 O ATOM 263 CG2 THR A 18 30.283 -13.461 -3.418 1.00 0.00 C ATOM 0 H THR A 18 29.735 -16.121 -3.513 1.00 0.00 H new ATOM 0 HA THR A 18 28.159 -14.445 -1.857 1.00 0.00 H new ATOM 0 HB THR A 18 28.234 -12.864 -3.655 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.678 -15.143 -5.209 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.680 -12.701 -4.090 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.324 -13.095 -2.392 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.880 -14.369 -3.504 1.00 0.00 H new ATOM 271 N PHE A 19 26.609 -16.234 -4.172 1.00 0.00 N ATOM 272 CA PHE A 19 25.295 -16.713 -4.660 1.00 0.00 C ATOM 273 C PHE A 19 24.556 -17.531 -3.590 1.00 0.00 C ATOM 274 O PHE A 19 23.349 -17.685 -3.676 1.00 0.00 O ATOM 275 CB PHE A 19 25.426 -17.549 -5.963 1.00 0.00 C ATOM 276 CG PHE A 19 25.899 -16.780 -7.201 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.568 -15.439 -7.390 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.666 -17.412 -8.182 1.00 0.00 C ATOM 279 CE1 PHE A 19 25.987 -14.758 -8.515 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.086 -16.725 -9.304 1.00 0.00 C ATOM 281 CZ PHE A 19 26.749 -15.399 -9.470 1.00 0.00 C ATOM 0 H PHE A 19 27.397 -16.775 -4.528 1.00 0.00 H new ATOM 0 HA PHE A 19 24.710 -15.821 -4.884 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.121 -18.368 -5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.457 -17.997 -6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 19 24.976 -14.926 -6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 19 26.934 -18.451 -8.062 1.00 0.00 H new ATOM 0 HE1 PHE A 19 25.718 -13.721 -8.648 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.680 -17.228 -10.053 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.081 -14.862 -10.346 1.00 0.00 H new ATOM 291 N MET A 20 25.297 -18.091 -2.614 1.00 0.00 N ATOM 292 CA MET A 20 24.691 -18.744 -1.425 1.00 0.00 C ATOM 293 C MET A 20 23.975 -17.684 -0.566 1.00 0.00 C ATOM 294 O MET A 20 22.842 -17.887 -0.103 1.00 0.00 O ATOM 295 CB MET A 20 25.778 -19.469 -0.585 1.00 0.00 C ATOM 296 CG MET A 20 26.494 -20.622 -1.301 1.00 0.00 C ATOM 297 SD MET A 20 27.903 -21.267 -0.367 1.00 0.00 S ATOM 298 CE MET A 20 27.144 -21.694 1.201 1.00 0.00 C ATOM 0 H MET A 20 26.317 -18.107 -2.621 1.00 0.00 H new ATOM 0 HA MET A 20 23.968 -19.487 -1.760 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.523 -18.737 -0.274 1.00 0.00 H new ATOM 0 HB3 MET A 20 25.315 -19.857 0.322 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.783 -21.429 -1.479 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.838 -20.279 -2.277 1.00 0.00 H new ATOM 0 HE1 MET A 20 27.528 -21.037 1.982 1.00 0.00 H new ATOM 0 HE2 MET A 20 26.063 -21.576 1.126 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.379 -22.729 1.449 1.00 0.00 H new ATOM 308 N ALA A 21 24.667 -16.550 -0.384 1.00 0.00 N ATOM 309 CA ALA A 21 24.137 -15.379 0.331 1.00 0.00 C ATOM 310 C ALA A 21 23.056 -14.667 -0.498 1.00 0.00 C ATOM 311 O ALA A 21 22.054 -14.215 0.049 1.00 0.00 O ATOM 312 CB ALA A 21 25.286 -14.427 0.667 1.00 0.00 C ATOM 0 H ALA A 21 25.617 -16.418 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 21 23.668 -15.712 1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.896 -13.558 1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.012 -14.941 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.771 -14.103 -0.254 1.00 0.00 H new ATOM 318 N ALA A 22 23.261 -14.614 -1.828 1.00 0.00 N ATOM 319 CA ALA A 22 22.333 -13.957 -2.768 1.00 0.00 C ATOM 320 C ALA A 22 21.034 -14.754 -2.897 1.00 0.00 C ATOM 321 O ALA A 22 19.974 -14.176 -3.072 1.00 0.00 O ATOM 322 CB ALA A 22 22.988 -13.758 -4.142 1.00 0.00 C ATOM 0 H ALA A 22 24.076 -15.026 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 22 22.090 -12.973 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.282 -13.272 -4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.875 -13.134 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.273 -14.727 -4.553 1.00 0.00 H new ATOM 328 N GLN A 23 21.149 -16.088 -2.807 1.00 0.00 N ATOM 329 CA GLN A 23 19.993 -16.999 -2.766 1.00 0.00 C ATOM 330 C GLN A 23 19.152 -16.695 -1.523 1.00 0.00 C ATOM 331 O GLN A 23 17.967 -16.376 -1.614 1.00 0.00 O ATOM 332 CB GLN A 23 20.473 -18.484 -2.726 1.00 0.00 C ATOM 333 CG GLN A 23 19.379 -19.519 -2.380 1.00 0.00 C ATOM 334 CD GLN A 23 19.897 -20.954 -2.286 1.00 0.00 C ATOM 335 OE1 GLN A 23 20.323 -21.409 -1.222 1.00 0.00 O ATOM 336 NE2 GLN A 23 19.860 -21.682 -3.389 1.00 0.00 N ATOM 0 H GLN A 23 22.048 -16.567 -2.760 1.00 0.00 H new ATOM 0 HA GLN A 23 19.391 -16.851 -3.663 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.897 -18.738 -3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.277 -18.570 -1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 23 18.920 -19.245 -1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.596 -19.474 -3.137 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.502 -21.278 -4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 23 20.189 -22.647 -3.374 1.00 0.00 H new ATOM 345 N ALA A 24 19.829 -16.744 -0.375 1.00 0.00 N ATOM 346 CA ALA A 24 19.196 -16.693 0.936 1.00 0.00 C ATOM 347 C ALA A 24 18.510 -15.334 1.208 1.00 0.00 C ATOM 348 O ALA A 24 17.370 -15.298 1.692 1.00 0.00 O ATOM 349 CB ALA A 24 20.250 -17.041 1.988 1.00 0.00 C ATOM 0 H ALA A 24 20.845 -16.821 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 24 18.389 -17.424 0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.799 -17.009 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.638 -18.042 1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 24 21.066 -16.320 1.938 1.00 0.00 H new ATOM 355 N LEU A 25 19.198 -14.227 0.875 1.00 0.00 N ATOM 356 CA LEU A 25 18.650 -12.862 1.045 1.00 0.00 C ATOM 357 C LEU A 25 17.514 -12.588 0.048 1.00 0.00 C ATOM 358 O LEU A 25 16.576 -11.851 0.376 1.00 0.00 O ATOM 359 CB LEU A 25 19.745 -11.785 0.865 1.00 0.00 C ATOM 360 CG LEU A 25 20.894 -11.784 1.905 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.957 -10.730 1.534 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.366 -11.554 3.340 1.00 0.00 C ATOM 0 H LEU A 25 20.140 -14.248 0.484 1.00 0.00 H new ATOM 0 HA LEU A 25 18.259 -12.808 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.182 -11.906 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.267 -10.806 0.885 1.00 0.00 H new ATOM 0 HG LEU A 25 21.360 -12.769 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.756 -10.743 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.369 -10.959 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.498 -9.742 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.201 -11.560 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.857 -10.591 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.667 -12.348 3.602 1.00 0.00 H new ATOM 374 N GLU A 26 17.628 -13.152 -1.178 1.00 0.00 N ATOM 375 CA GLU A 26 16.597 -12.996 -2.220 1.00 0.00 C ATOM 376 C GLU A 26 15.271 -13.573 -1.721 1.00 0.00 C ATOM 377 O GLU A 26 14.277 -12.855 -1.648 1.00 0.00 O ATOM 378 CB GLU A 26 17.027 -13.674 -3.548 1.00 0.00 C ATOM 379 CG GLU A 26 16.079 -13.450 -4.746 1.00 0.00 C ATOM 380 CD GLU A 26 16.587 -14.097 -6.049 1.00 0.00 C ATOM 381 OE1 GLU A 26 17.408 -13.473 -6.756 1.00 0.00 O ATOM 382 OE2 GLU A 26 16.186 -15.238 -6.365 1.00 0.00 O ATOM 0 H GLU A 26 18.426 -13.719 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 26 16.470 -11.933 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.018 -13.309 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.119 -14.746 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.097 -13.856 -4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.951 -12.379 -4.905 1.00 0.00 H new ATOM 389 N GLU A 27 15.319 -14.857 -1.313 1.00 0.00 N ATOM 390 CA GLU A 27 14.158 -15.601 -0.792 1.00 0.00 C ATOM 391 C GLU A 27 13.501 -14.845 0.374 1.00 0.00 C ATOM 392 O GLU A 27 12.308 -14.584 0.345 1.00 0.00 O ATOM 393 CB GLU A 27 14.594 -17.020 -0.329 1.00 0.00 C ATOM 394 CG GLU A 27 15.193 -17.905 -1.435 1.00 0.00 C ATOM 395 CD GLU A 27 14.199 -18.234 -2.561 1.00 0.00 C ATOM 396 OE1 GLU A 27 13.302 -19.077 -2.347 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.303 -17.645 -3.657 1.00 0.00 O ATOM 0 H GLU A 27 16.175 -15.411 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 27 13.427 -15.697 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.327 -16.916 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.729 -17.530 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.061 -17.402 -1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.550 -18.835 -0.992 1.00 0.00 H new ATOM 404 N ALA A 28 14.335 -14.440 1.346 1.00 0.00 N ATOM 405 CA ALA A 28 13.899 -13.756 2.583 1.00 0.00 C ATOM 406 C ALA A 28 13.157 -12.432 2.288 1.00 0.00 C ATOM 407 O ALA A 28 12.107 -12.152 2.875 1.00 0.00 O ATOM 408 CB ALA A 28 15.118 -13.508 3.483 1.00 0.00 C ATOM 0 H ALA A 28 15.344 -14.578 1.298 1.00 0.00 H new ATOM 0 HA ALA A 28 13.189 -14.404 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.800 -13.004 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.582 -14.461 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.839 -12.883 2.956 1.00 0.00 H new ATOM 414 N ALA A 29 13.720 -11.636 1.371 1.00 0.00 N ATOM 415 CA ALA A 29 13.128 -10.352 0.944 1.00 0.00 C ATOM 416 C ALA A 29 11.872 -10.536 0.057 1.00 0.00 C ATOM 417 O ALA A 29 11.004 -9.654 0.018 1.00 0.00 O ATOM 418 CB ALA A 29 14.188 -9.517 0.229 1.00 0.00 C ATOM 0 H ALA A 29 14.598 -11.859 0.902 1.00 0.00 H new ATOM 0 HA ALA A 29 12.791 -9.827 1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.752 -8.569 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.020 -9.326 0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.550 -10.059 -0.645 1.00 0.00 H new ATOM 424 N VAL A 30 11.762 -11.692 -0.629 1.00 0.00 N ATOM 425 CA VAL A 30 10.565 -12.033 -1.438 1.00 0.00 C ATOM 426 C VAL A 30 9.390 -12.318 -0.486 1.00 0.00 C ATOM 427 O VAL A 30 8.266 -11.850 -0.701 1.00 0.00 O ATOM 428 CB VAL A 30 10.838 -13.279 -2.375 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.537 -13.863 -2.978 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.833 -12.927 -3.501 1.00 0.00 C ATOM 0 H VAL A 30 12.487 -12.409 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 30 10.321 -11.191 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 30 11.281 -14.047 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.781 -14.715 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.876 -14.186 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.037 -13.099 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.999 -13.804 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.424 -12.120 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.779 -12.609 -3.064 1.00 0.00 H new ATOM 440 N GLU A 31 9.706 -13.066 0.583 1.00 0.00 N ATOM 441 CA GLU A 31 8.763 -13.439 1.653 1.00 0.00 C ATOM 442 C GLU A 31 8.242 -12.190 2.393 1.00 0.00 C ATOM 443 O GLU A 31 7.085 -12.154 2.832 1.00 0.00 O ATOM 444 CB GLU A 31 9.488 -14.391 2.641 1.00 0.00 C ATOM 445 CG GLU A 31 10.010 -15.695 2.003 1.00 0.00 C ATOM 446 CD GLU A 31 8.932 -16.774 1.821 1.00 0.00 C ATOM 447 OE1 GLU A 31 8.631 -17.495 2.793 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.386 -16.914 0.715 1.00 0.00 O ATOM 0 H GLU A 31 10.644 -13.437 0.732 1.00 0.00 H new ATOM 0 HA GLU A 31 7.901 -13.943 1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.327 -13.859 3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.803 -14.645 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.446 -15.463 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.811 -16.097 2.624 1.00 0.00 H new ATOM 455 N ALA A 32 9.114 -11.176 2.518 1.00 0.00 N ATOM 456 CA ALA A 32 8.779 -9.891 3.151 1.00 0.00 C ATOM 457 C ALA A 32 7.699 -9.126 2.352 1.00 0.00 C ATOM 458 O ALA A 32 6.769 -8.566 2.938 1.00 0.00 O ATOM 459 CB ALA A 32 10.049 -9.055 3.320 1.00 0.00 C ATOM 0 H ALA A 32 10.075 -11.226 2.181 1.00 0.00 H new ATOM 0 HA ALA A 32 8.356 -10.089 4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.799 -8.104 3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.758 -9.594 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.496 -8.871 2.343 1.00 0.00 H new ATOM 465 N GLY A 33 7.823 -9.122 1.010 1.00 0.00 N ATOM 466 CA GLY A 33 6.797 -8.536 0.129 1.00 0.00 C ATOM 467 C GLY A 33 7.380 -7.670 -0.976 1.00 0.00 C ATOM 468 O GLY A 33 6.937 -7.739 -2.131 1.00 0.00 O ATOM 0 H GLY A 33 8.622 -9.517 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.210 -9.338 -0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.112 -7.936 0.728 1.00 0.00 H new ATOM 472 N TYR A 34 8.357 -6.831 -0.608 1.00 0.00 N ATOM 473 CA TYR A 34 9.004 -5.870 -1.532 1.00 0.00 C ATOM 474 C TYR A 34 9.922 -6.544 -2.562 1.00 0.00 C ATOM 475 O TYR A 34 10.121 -7.769 -2.539 1.00 0.00 O ATOM 476 CB TYR A 34 9.783 -4.775 -0.751 1.00 0.00 C ATOM 477 CG TYR A 34 10.663 -5.210 0.433 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.230 -6.483 0.537 1.00 0.00 C ATOM 479 CD2 TYR A 34 10.898 -4.325 1.479 1.00 0.00 C ATOM 480 CE1 TYR A 34 11.979 -6.837 1.628 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.633 -4.682 2.564 1.00 0.00 C ATOM 482 CZ TYR A 34 12.172 -5.936 2.644 1.00 0.00 C ATOM 483 OH TYR A 34 12.895 -6.300 3.750 1.00 0.00 O ATOM 0 H TYR A 34 8.728 -6.794 0.342 1.00 0.00 H new ATOM 0 HA TYR A 34 8.193 -5.401 -2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.419 -4.249 -1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.057 -4.053 -0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.075 -7.200 -0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.486 -3.328 1.428 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.416 -7.823 1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.792 -3.975 3.364 1.00 0.00 H new ATOM 0 HH TYR A 34 12.638 -5.736 4.509 1.00 0.00 H new ATOM 493 N GLU A 35 10.495 -5.708 -3.450 1.00 0.00 N ATOM 494 CA GLU A 35 11.422 -6.177 -4.492 1.00 0.00 C ATOM 495 C GLU A 35 12.816 -6.417 -3.872 1.00 0.00 C ATOM 496 O GLU A 35 13.145 -5.820 -2.846 1.00 0.00 O ATOM 497 CB GLU A 35 11.501 -5.146 -5.650 1.00 0.00 C ATOM 498 CG GLU A 35 12.204 -5.670 -6.924 1.00 0.00 C ATOM 499 CD GLU A 35 12.163 -4.684 -8.101 1.00 0.00 C ATOM 500 OE1 GLU A 35 11.090 -4.547 -8.736 1.00 0.00 O ATOM 501 OE2 GLU A 35 13.195 -4.051 -8.406 1.00 0.00 O ATOM 0 H GLU A 35 10.330 -4.702 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 35 11.055 -7.117 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.490 -4.832 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.029 -4.260 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.244 -5.897 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.735 -6.606 -7.229 1.00 0.00 H new ATOM 508 N VAL A 36 13.610 -7.301 -4.491 1.00 0.00 N ATOM 509 CA VAL A 36 14.990 -7.585 -4.062 1.00 0.00 C ATOM 510 C VAL A 36 15.926 -7.623 -5.281 1.00 0.00 C ATOM 511 O VAL A 36 15.566 -8.175 -6.332 1.00 0.00 O ATOM 512 CB VAL A 36 15.092 -8.918 -3.226 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.582 -10.148 -4.007 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.528 -9.156 -2.693 1.00 0.00 C ATOM 0 H VAL A 36 13.315 -7.841 -5.304 1.00 0.00 H new ATOM 0 HA VAL A 36 15.304 -6.777 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 36 14.433 -8.788 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.675 -11.038 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.536 -10.000 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.175 -10.275 -4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.555 -10.084 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.221 -9.225 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.819 -8.326 -2.049 1.00 0.00 H new ATOM 524 N LYS A 37 17.107 -6.998 -5.142 1.00 0.00 N ATOM 525 CA LYS A 37 18.156 -7.022 -6.173 1.00 0.00 C ATOM 526 C LYS A 37 19.531 -7.076 -5.489 1.00 0.00 C ATOM 527 O LYS A 37 19.916 -6.137 -4.799 1.00 0.00 O ATOM 528 CB LYS A 37 18.055 -5.771 -7.083 1.00 0.00 C ATOM 529 CG LYS A 37 18.987 -5.827 -8.316 1.00 0.00 C ATOM 530 CD LYS A 37 18.483 -6.780 -9.409 1.00 0.00 C ATOM 531 CE LYS A 37 19.513 -6.979 -10.523 1.00 0.00 C ATOM 532 NZ LYS A 37 18.963 -7.798 -11.637 1.00 0.00 N ATOM 0 H LYS A 37 17.361 -6.462 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 37 18.025 -7.905 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.025 -5.660 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.295 -4.884 -6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.088 -4.825 -8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.981 -6.141 -7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.241 -7.745 -8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.561 -6.385 -9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 37 19.828 -6.008 -10.906 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.400 -7.465 -10.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.415 -8.735 -11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.936 -7.908 -11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.153 -7.324 -12.543 1.00 0.00 H new ATOM 546 N ILE A 38 20.261 -8.187 -5.656 1.00 0.00 N ATOM 547 CA ILE A 38 21.543 -8.414 -4.951 1.00 0.00 C ATOM 548 C ILE A 38 22.727 -8.497 -5.929 1.00 0.00 C ATOM 549 O ILE A 38 22.864 -9.485 -6.654 1.00 0.00 O ATOM 550 CB ILE A 38 21.454 -9.740 -4.129 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.214 -9.697 -3.181 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.762 -10.013 -3.329 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.790 -11.039 -2.655 1.00 0.00 C ATOM 0 H ILE A 38 19.989 -8.950 -6.276 1.00 0.00 H new ATOM 0 HA ILE A 38 21.716 -7.566 -4.288 1.00 0.00 H new ATOM 0 HB ILE A 38 21.333 -10.566 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.439 -9.044 -2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.377 -9.249 -3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.660 -10.944 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.601 -10.095 -4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.942 -9.192 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.923 -10.918 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.531 -11.691 -3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.609 -11.483 -2.088 1.00 0.00 H new ATOM 565 N GLU A 39 23.588 -7.474 -5.908 1.00 0.00 N ATOM 566 CA GLU A 39 24.856 -7.477 -6.653 1.00 0.00 C ATOM 567 C GLU A 39 25.864 -8.368 -5.916 1.00 0.00 C ATOM 568 O GLU A 39 25.979 -8.313 -4.693 1.00 0.00 O ATOM 569 CB GLU A 39 25.390 -6.031 -6.786 1.00 0.00 C ATOM 570 CG GLU A 39 26.745 -5.884 -7.494 1.00 0.00 C ATOM 571 CD GLU A 39 27.274 -4.440 -7.462 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.656 -3.557 -8.099 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.298 -4.184 -6.803 1.00 0.00 O ATOM 0 H GLU A 39 23.427 -6.620 -5.375 1.00 0.00 H new ATOM 0 HA GLU A 39 24.700 -7.873 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.652 -5.439 -7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.474 -5.601 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.472 -6.544 -7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.647 -6.208 -8.530 1.00 0.00 H new ATOM 580 N THR A 40 26.573 -9.199 -6.675 1.00 0.00 N ATOM 581 CA THR A 40 27.536 -10.161 -6.142 1.00 0.00 C ATOM 582 C THR A 40 28.931 -9.853 -6.694 1.00 0.00 C ATOM 583 O THR A 40 29.134 -9.860 -7.908 1.00 0.00 O ATOM 584 CB THR A 40 27.106 -11.616 -6.506 1.00 0.00 C ATOM 585 OG1 THR A 40 26.708 -11.685 -7.884 1.00 0.00 O ATOM 586 CG2 THR A 40 25.956 -12.112 -5.615 1.00 0.00 C ATOM 0 H THR A 40 26.494 -9.224 -7.692 1.00 0.00 H new ATOM 0 HA THR A 40 27.563 -10.078 -5.056 1.00 0.00 H new ATOM 0 HB THR A 40 27.968 -12.262 -6.337 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.740 -11.826 -7.938 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.687 -13.129 -5.901 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.273 -12.100 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.092 -11.459 -5.739 1.00 0.00 H new ATOM 594 N GLN A 41 29.873 -9.548 -5.794 1.00 0.00 N ATOM 595 CA GLN A 41 31.264 -9.244 -6.141 1.00 0.00 C ATOM 596 C GLN A 41 32.184 -10.390 -5.679 1.00 0.00 C ATOM 597 O GLN A 41 32.013 -10.925 -4.581 1.00 0.00 O ATOM 598 CB GLN A 41 31.682 -7.895 -5.499 1.00 0.00 C ATOM 599 CG GLN A 41 30.888 -6.682 -6.030 1.00 0.00 C ATOM 600 CD GLN A 41 31.473 -5.342 -5.604 1.00 0.00 C ATOM 601 OE1 GLN A 41 31.056 -4.723 -4.632 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.502 -4.914 -6.293 1.00 0.00 N ATOM 0 H GLN A 41 29.687 -9.505 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 41 31.358 -9.151 -7.223 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.549 -7.960 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.744 -7.730 -5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.856 -6.726 -7.119 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.859 -6.749 -5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.833 -5.445 -7.099 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.972 -4.050 -6.024 1.00 0.00 H new ATOM 611 N GLY A 42 33.143 -10.764 -6.530 1.00 0.00 N ATOM 612 CA GLY A 42 34.100 -11.822 -6.216 1.00 0.00 C ATOM 613 C GLY A 42 35.297 -11.807 -7.151 1.00 0.00 C ATOM 614 O GLY A 42 35.332 -11.020 -8.112 1.00 0.00 O ATOM 0 H GLY A 42 33.276 -10.344 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.443 -11.707 -5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.603 -12.790 -6.280 1.00 0.00 H new ATOM 618 N ALA A 43 36.266 -12.702 -6.883 1.00 0.00 N ATOM 619 CA ALA A 43 37.507 -12.816 -7.677 1.00 0.00 C ATOM 620 C ALA A 43 37.229 -13.288 -9.124 1.00 0.00 C ATOM 621 O ALA A 43 38.064 -13.097 -10.013 1.00 0.00 O ATOM 622 CB ALA A 43 38.494 -13.752 -6.956 1.00 0.00 C ATOM 0 H ALA A 43 36.212 -13.367 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 43 37.955 -11.826 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.409 -13.836 -7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.729 -13.345 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 43 38.044 -14.738 -6.843 1.00 0.00 H new ATOM 628 N ASP A 44 36.049 -13.908 -9.346 1.00 0.00 N ATOM 629 CA ASP A 44 35.580 -14.297 -10.695 1.00 0.00 C ATOM 630 C ASP A 44 35.106 -13.067 -11.486 1.00 0.00 C ATOM 631 O ASP A 44 35.360 -12.953 -12.690 1.00 0.00 O ATOM 632 CB ASP A 44 34.417 -15.323 -10.609 1.00 0.00 C ATOM 633 CG ASP A 44 34.813 -16.648 -9.939 1.00 0.00 C ATOM 634 OD1 ASP A 44 35.758 -17.309 -10.417 1.00 0.00 O ATOM 635 OD2 ASP A 44 34.161 -17.057 -8.963 1.00 0.00 O ATOM 0 H ASP A 44 35.398 -14.152 -8.600 1.00 0.00 H new ATOM 0 HA ASP A 44 36.424 -14.756 -11.210 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.591 -14.878 -10.054 1.00 0.00 H new ATOM 0 HB3 ASP A 44 34.051 -15.529 -11.615 1.00 0.00 H new ATOM 640 N GLY A 45 34.406 -12.158 -10.787 1.00 0.00 N ATOM 641 CA GLY A 45 33.824 -10.967 -11.402 1.00 0.00 C ATOM 642 C GLY A 45 32.650 -10.432 -10.605 1.00 0.00 C ATOM 643 O GLY A 45 32.534 -10.704 -9.402 1.00 0.00 O ATOM 0 H GLY A 45 34.232 -12.233 -9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.587 -10.193 -11.487 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.497 -11.205 -12.414 1.00 0.00 H new ATOM 647 N ILE A 46 31.773 -9.657 -11.272 1.00 0.00 N ATOM 648 CA ILE A 46 30.550 -9.105 -10.659 1.00 0.00 C ATOM 649 C ILE A 46 29.319 -9.528 -11.481 1.00 0.00 C ATOM 650 O ILE A 46 29.343 -9.501 -12.720 1.00 0.00 O ATOM 651 CB ILE A 46 30.612 -7.533 -10.522 1.00 0.00 C ATOM 652 CG1 ILE A 46 31.842 -7.123 -9.643 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.293 -6.965 -9.923 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.080 -5.635 -9.508 1.00 0.00 C ATOM 0 H ILE A 46 31.893 -9.396 -12.251 1.00 0.00 H new ATOM 0 HA ILE A 46 30.470 -9.510 -9.650 1.00 0.00 H new ATOM 0 HB ILE A 46 30.730 -7.106 -11.518 1.00 0.00 H new ATOM 0 HG12 ILE A 46 31.710 -7.544 -8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 46 32.737 -7.579 -10.066 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.368 -5.881 -9.842 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.457 -7.223 -10.573 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.129 -7.393 -8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 46 32.954 -5.462 -8.880 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.250 -5.203 -10.494 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.208 -5.167 -9.052 1.00 0.00 H new ATOM 666 N GLN A 47 28.248 -9.908 -10.773 1.00 0.00 N ATOM 667 CA GLN A 47 26.988 -10.373 -11.368 1.00 0.00 C ATOM 668 C GLN A 47 25.805 -9.668 -10.688 1.00 0.00 C ATOM 669 O GLN A 47 25.913 -9.262 -9.530 1.00 0.00 O ATOM 670 CB GLN A 47 26.883 -11.916 -11.191 1.00 0.00 C ATOM 671 CG GLN A 47 25.647 -12.587 -11.835 1.00 0.00 C ATOM 672 CD GLN A 47 25.509 -12.375 -13.352 1.00 0.00 C ATOM 673 OE1 GLN A 47 24.395 -12.296 -13.871 1.00 0.00 O ATOM 674 NE2 GLN A 47 26.623 -12.325 -14.079 1.00 0.00 N ATOM 0 H GLN A 47 28.232 -9.901 -9.753 1.00 0.00 H new ATOM 0 HA GLN A 47 26.966 -10.135 -12.431 1.00 0.00 H new ATOM 0 HB2 GLN A 47 27.780 -12.372 -11.610 1.00 0.00 H new ATOM 0 HB3 GLN A 47 26.880 -12.141 -10.124 1.00 0.00 H new ATOM 0 HG2 GLN A 47 25.688 -13.658 -11.635 1.00 0.00 H new ATOM 0 HG3 GLN A 47 24.750 -12.206 -11.347 1.00 0.00 H new ATOM 0 HE21 GLN A 47 27.533 -12.393 -13.623 1.00 0.00 H new ATOM 0 HE22 GLN A 47 26.567 -12.219 -15.092 1.00 0.00 H new ATOM 683 N ASN A 48 24.690 -9.519 -11.435 1.00 0.00 N ATOM 684 CA ASN A 48 23.412 -8.961 -10.926 1.00 0.00 C ATOM 685 C ASN A 48 23.605 -7.482 -10.497 1.00 0.00 C ATOM 686 O ASN A 48 22.988 -7.014 -9.525 1.00 0.00 O ATOM 687 CB ASN A 48 22.845 -9.857 -9.764 1.00 0.00 C ATOM 688 CG ASN A 48 21.316 -9.963 -9.742 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.668 -9.937 -10.785 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.733 -10.105 -8.556 1.00 0.00 N ATOM 0 H ASN A 48 24.648 -9.785 -12.419 1.00 0.00 H new ATOM 0 HA ASN A 48 22.670 -8.970 -11.724 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.266 -10.858 -9.854 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.184 -9.453 -8.810 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.719 -10.196 -8.494 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.300 -10.123 -7.708 1.00 0.00 H new ATOM 697 N ARG A 49 24.455 -6.774 -11.291 1.00 0.00 N ATOM 698 CA ARG A 49 24.894 -5.380 -11.071 1.00 0.00 C ATOM 699 C ARG A 49 23.730 -4.440 -10.694 1.00 0.00 C ATOM 700 O ARG A 49 22.748 -4.316 -11.430 1.00 0.00 O ATOM 701 CB ARG A 49 25.606 -4.853 -12.359 1.00 0.00 C ATOM 702 CG ARG A 49 26.005 -3.359 -12.332 1.00 0.00 C ATOM 703 CD ARG A 49 27.111 -3.037 -11.311 1.00 0.00 C ATOM 704 NE ARG A 49 28.452 -3.375 -11.808 1.00 0.00 N ATOM 705 CZ ARG A 49 29.541 -3.479 -11.045 1.00 0.00 C ATOM 706 NH1 ARG A 49 29.456 -3.482 -9.723 1.00 0.00 N ATOM 707 NH2 ARG A 49 30.726 -3.633 -11.619 1.00 0.00 N ATOM 0 H ARG A 49 24.865 -7.180 -12.132 1.00 0.00 H new ATOM 0 HA ARG A 49 25.584 -5.384 -10.227 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.503 -5.448 -12.527 1.00 0.00 H new ATOM 0 HB3 ARG A 49 24.948 -5.021 -13.212 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.341 -3.063 -13.326 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.124 -2.760 -12.102 1.00 0.00 H new ATOM 0 HD2 ARG A 49 27.075 -1.976 -11.064 1.00 0.00 H new ATOM 0 HD3 ARG A 49 26.920 -3.585 -10.389 1.00 0.00 H new ATOM 0 HE ARG A 49 28.558 -3.542 -12.809 1.00 0.00 H new ATOM 0 HH11 ARG A 49 28.545 -3.404 -9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 49 30.301 -3.563 -9.158 1.00 0.00 H new ATOM 0 HH21 ARG A 49 30.799 -3.671 -12.636 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.565 -3.713 -11.044 1.00 0.00 H new ATOM 721 N LEU A 50 23.873 -3.801 -9.530 1.00 0.00 N ATOM 722 CA LEU A 50 22.963 -2.751 -9.052 1.00 0.00 C ATOM 723 C LEU A 50 23.234 -1.434 -9.794 1.00 0.00 C ATOM 724 O LEU A 50 24.375 -1.160 -10.185 1.00 0.00 O ATOM 725 CB LEU A 50 23.137 -2.590 -7.510 1.00 0.00 C ATOM 726 CG LEU A 50 22.494 -3.744 -6.669 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.022 -3.807 -5.227 1.00 0.00 C ATOM 728 CD2 LEU A 50 20.975 -3.602 -6.666 1.00 0.00 C ATOM 0 H LEU A 50 24.635 -4.000 -8.882 1.00 0.00 H new ATOM 0 HA LEU A 50 21.930 -3.031 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.201 -2.536 -7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.696 -1.642 -7.203 1.00 0.00 H new ATOM 0 HG LEU A 50 22.781 -4.680 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.537 -4.627 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.100 -3.970 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.804 -2.868 -4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.535 -4.408 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.700 -2.643 -6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.603 -3.653 -7.689 1.00 0.00 H new ATOM 740 N THR A 51 22.176 -0.635 -10.012 1.00 0.00 N ATOM 741 CA THR A 51 22.294 0.704 -10.618 1.00 0.00 C ATOM 742 C THR A 51 22.129 1.777 -9.528 1.00 0.00 C ATOM 743 O THR A 51 21.761 1.457 -8.390 1.00 0.00 O ATOM 744 CB THR A 51 21.222 0.927 -11.747 1.00 0.00 C ATOM 745 OG1 THR A 51 19.924 1.144 -11.168 1.00 0.00 O ATOM 746 CG2 THR A 51 21.142 -0.264 -12.730 1.00 0.00 C ATOM 0 H THR A 51 21.219 -0.896 -9.775 1.00 0.00 H new ATOM 0 HA THR A 51 23.281 0.782 -11.074 1.00 0.00 H new ATOM 0 HB THR A 51 21.538 1.807 -12.308 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.619 0.321 -10.731 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.387 -0.059 -13.489 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.110 -0.405 -13.210 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.872 -1.168 -12.185 1.00 0.00 H new ATOM 754 N ALA A 52 22.377 3.054 -9.884 1.00 0.00 N ATOM 755 CA ALA A 52 22.156 4.193 -8.971 1.00 0.00 C ATOM 756 C ALA A 52 20.668 4.321 -8.588 1.00 0.00 C ATOM 757 O ALA A 52 20.346 4.768 -7.483 1.00 0.00 O ATOM 758 CB ALA A 52 22.680 5.494 -9.596 1.00 0.00 C ATOM 0 H ALA A 52 22.732 3.322 -10.802 1.00 0.00 H new ATOM 0 HA ALA A 52 22.715 4.006 -8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.509 6.323 -8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.748 5.399 -9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 52 22.156 5.685 -10.532 1.00 0.00 H new ATOM 764 N GLN A 53 19.779 3.884 -9.511 1.00 0.00 N ATOM 765 CA GLN A 53 18.324 3.853 -9.281 1.00 0.00 C ATOM 766 C GLN A 53 17.982 2.852 -8.155 1.00 0.00 C ATOM 767 O GLN A 53 17.214 3.176 -7.251 1.00 0.00 O ATOM 768 CB GLN A 53 17.561 3.452 -10.575 1.00 0.00 C ATOM 769 CG GLN A 53 16.024 3.499 -10.429 1.00 0.00 C ATOM 770 CD GLN A 53 15.261 2.833 -11.575 1.00 0.00 C ATOM 771 OE1 GLN A 53 14.939 3.468 -12.580 1.00 0.00 O ATOM 772 NE2 GLN A 53 14.971 1.544 -11.429 1.00 0.00 N ATOM 0 H GLN A 53 20.054 3.545 -10.433 1.00 0.00 H new ATOM 0 HA GLN A 53 18.012 4.855 -8.987 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.861 4.118 -11.384 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.859 2.444 -10.864 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.745 3.015 -9.493 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.710 4.540 -10.356 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.254 1.050 -10.582 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.466 1.049 -12.164 1.00 0.00 H new ATOM 781 N ASP A 54 18.577 1.641 -8.242 1.00 0.00 N ATOM 782 CA ASP A 54 18.385 0.561 -7.242 1.00 0.00 C ATOM 783 C ASP A 54 18.751 1.033 -5.833 1.00 0.00 C ATOM 784 O ASP A 54 18.001 0.810 -4.888 1.00 0.00 O ATOM 785 CB ASP A 54 19.233 -0.690 -7.595 1.00 0.00 C ATOM 786 CG ASP A 54 18.679 -1.485 -8.783 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.820 -2.359 -8.577 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.092 -1.239 -9.924 1.00 0.00 O ATOM 0 H ASP A 54 19.203 1.383 -9.005 1.00 0.00 H new ATOM 0 HA ASP A 54 17.328 0.295 -7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.252 -0.377 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.285 -1.342 -6.723 1.00 0.00 H new ATOM 793 N ILE A 55 19.907 1.707 -5.729 1.00 0.00 N ATOM 794 CA ILE A 55 20.477 2.140 -4.434 1.00 0.00 C ATOM 795 C ILE A 55 19.695 3.343 -3.855 1.00 0.00 C ATOM 796 O ILE A 55 19.568 3.483 -2.630 1.00 0.00 O ATOM 797 CB ILE A 55 22.010 2.490 -4.580 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.763 1.359 -5.346 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.676 2.741 -3.201 1.00 0.00 C ATOM 800 CD1 ILE A 55 24.211 1.669 -5.669 1.00 0.00 C ATOM 0 H ILE A 55 20.475 1.969 -6.535 1.00 0.00 H new ATOM 0 HA ILE A 55 20.383 1.308 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 55 22.079 3.413 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.725 0.447 -4.750 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.233 1.154 -6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.730 2.979 -3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.180 3.575 -2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.586 1.846 -2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.653 0.827 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.262 2.560 -6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.761 1.843 -4.744 1.00 0.00 H new ATOM 812 N ALA A 56 19.155 4.187 -4.755 1.00 0.00 N ATOM 813 CA ALA A 56 18.355 5.367 -4.376 1.00 0.00 C ATOM 814 C ALA A 56 16.970 4.950 -3.841 1.00 0.00 C ATOM 815 O ALA A 56 16.558 5.383 -2.762 1.00 0.00 O ATOM 816 CB ALA A 56 18.208 6.325 -5.572 1.00 0.00 C ATOM 0 H ALA A 56 19.261 4.070 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 56 18.880 5.889 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.615 7.190 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.195 6.656 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.710 5.809 -6.393 1.00 0.00 H new ATOM 822 N GLU A 57 16.273 4.085 -4.602 1.00 0.00 N ATOM 823 CA GLU A 57 14.900 3.631 -4.273 1.00 0.00 C ATOM 824 C GLU A 57 14.909 2.522 -3.205 1.00 0.00 C ATOM 825 O GLU A 57 13.847 2.143 -2.692 1.00 0.00 O ATOM 826 CB GLU A 57 14.160 3.145 -5.551 1.00 0.00 C ATOM 827 CG GLU A 57 14.137 4.182 -6.691 1.00 0.00 C ATOM 828 CD GLU A 57 13.176 3.820 -7.833 1.00 0.00 C ATOM 829 OE1 GLU A 57 13.347 2.754 -8.457 1.00 0.00 O ATOM 830 OE2 GLU A 57 12.233 4.593 -8.107 1.00 0.00 O ATOM 0 H GLU A 57 16.642 3.679 -5.462 1.00 0.00 H new ATOM 0 HA GLU A 57 14.364 4.486 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.638 2.234 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.134 2.885 -5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.853 5.152 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.144 4.288 -7.095 1.00 0.00 H new ATOM 837 N ALA A 58 16.114 2.003 -2.890 1.00 0.00 N ATOM 838 CA ALA A 58 16.307 0.986 -1.845 1.00 0.00 C ATOM 839 C ALA A 58 15.904 1.541 -0.473 1.00 0.00 C ATOM 840 O ALA A 58 16.623 2.361 0.116 1.00 0.00 O ATOM 841 CB ALA A 58 17.763 0.494 -1.814 1.00 0.00 C ATOM 0 H ALA A 58 16.978 2.280 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 58 15.666 0.137 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.877 -0.257 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 58 18.020 0.056 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.427 1.334 -1.609 1.00 0.00 H new ATOM 847 N THR A 59 14.723 1.126 -0.012 1.00 0.00 N ATOM 848 CA THR A 59 14.249 1.376 1.350 1.00 0.00 C ATOM 849 C THR A 59 15.203 0.700 2.366 1.00 0.00 C ATOM 850 O THR A 59 15.479 1.237 3.445 1.00 0.00 O ATOM 851 CB THR A 59 12.790 0.829 1.507 1.00 0.00 C ATOM 852 OG1 THR A 59 11.960 1.370 0.458 1.00 0.00 O ATOM 853 CG2 THR A 59 12.169 1.164 2.882 1.00 0.00 C ATOM 0 H THR A 59 14.060 0.600 -0.582 1.00 0.00 H new ATOM 0 HA THR A 59 14.240 2.448 1.546 1.00 0.00 H new ATOM 0 HB THR A 59 12.842 -0.257 1.435 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.018 1.301 0.718 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.158 0.760 2.933 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.776 0.723 3.673 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.134 2.246 3.012 1.00 0.00 H new ATOM 861 N ILE A 60 15.718 -0.486 1.969 1.00 0.00 N ATOM 862 CA ILE A 60 16.660 -1.291 2.778 1.00 0.00 C ATOM 863 C ILE A 60 17.856 -1.747 1.912 1.00 0.00 C ATOM 864 O ILE A 60 17.681 -2.077 0.732 1.00 0.00 O ATOM 865 CB ILE A 60 15.934 -2.563 3.378 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.758 -2.154 4.328 1.00 0.00 C ATOM 867 CG2 ILE A 60 16.931 -3.492 4.111 1.00 0.00 C ATOM 868 CD1 ILE A 60 13.940 -3.309 4.890 1.00 0.00 C ATOM 0 H ILE A 60 15.490 -0.914 1.072 1.00 0.00 H new ATOM 0 HA ILE A 60 17.021 -0.668 3.596 1.00 0.00 H new ATOM 0 HB ILE A 60 15.513 -3.118 2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.168 -1.583 5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.089 -1.488 3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.398 -4.355 4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.696 -3.830 3.411 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.403 -2.947 4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.153 -2.918 5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.492 -3.871 4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.589 -3.967 5.469 1.00 0.00 H new ATOM 880 N ILE A 61 19.073 -1.744 2.509 1.00 0.00 N ATOM 881 CA ILE A 61 20.297 -2.315 1.894 1.00 0.00 C ATOM 882 C ILE A 61 21.003 -3.207 2.927 1.00 0.00 C ATOM 883 O ILE A 61 21.025 -2.872 4.112 1.00 0.00 O ATOM 884 CB ILE A 61 21.309 -1.205 1.413 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.573 -0.113 0.576 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.490 -1.831 0.611 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.449 0.992 0.040 1.00 0.00 C ATOM 0 H ILE A 61 19.234 -1.344 3.434 1.00 0.00 H new ATOM 0 HA ILE A 61 19.987 -2.884 1.018 1.00 0.00 H new ATOM 0 HB ILE A 61 21.730 -0.725 2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.074 -0.598 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.794 0.332 1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.172 -1.042 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.025 -2.539 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.100 -2.350 -0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.840 1.697 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.928 1.511 0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.213 0.567 -0.612 1.00 0.00 H new ATOM 899 N ILE A 62 21.551 -4.355 2.484 1.00 0.00 N ATOM 900 CA ILE A 62 22.382 -5.246 3.334 1.00 0.00 C ATOM 901 C ILE A 62 23.737 -5.498 2.632 1.00 0.00 C ATOM 902 O ILE A 62 23.759 -6.082 1.555 1.00 0.00 O ATOM 903 CB ILE A 62 21.696 -6.654 3.626 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.256 -6.526 4.237 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.583 -7.505 4.565 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.139 -6.275 3.238 1.00 0.00 C ATOM 0 H ILE A 62 21.434 -4.695 1.530 1.00 0.00 H new ATOM 0 HA ILE A 62 22.511 -4.739 4.290 1.00 0.00 H new ATOM 0 HB ILE A 62 21.593 -7.147 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.031 -7.441 4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.260 -5.713 4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.099 -8.463 4.754 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.552 -7.674 4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.724 -6.978 5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.188 -6.203 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.330 -5.343 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.097 -7.098 2.525 1.00 0.00 H new ATOM 918 N HIS A 63 24.870 -5.066 3.227 1.00 0.00 N ATOM 919 CA HIS A 63 26.213 -5.399 2.686 1.00 0.00 C ATOM 920 C HIS A 63 26.737 -6.675 3.347 1.00 0.00 C ATOM 921 O HIS A 63 27.429 -6.640 4.361 1.00 0.00 O ATOM 922 CB HIS A 63 27.221 -4.217 2.814 1.00 0.00 C ATOM 923 CG HIS A 63 27.241 -3.298 1.618 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.318 -2.496 1.346 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.308 -3.116 0.649 1.00 0.00 C ATOM 926 CE1 HIS A 63 28.026 -1.863 0.237 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.819 -2.204 -0.226 1.00 0.00 N ATOM 0 H HIS A 63 24.887 -4.493 4.071 1.00 0.00 H new ATOM 0 HA HIS A 63 26.109 -5.580 1.616 1.00 0.00 H new ATOM 0 HB2 HIS A 63 26.973 -3.636 3.702 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.222 -4.621 2.966 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.345 -3.601 0.584 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.681 -1.152 -0.245 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.368 -1.850 -1.070 1.00 0.00 H new ATOM 935 N SER A 64 26.343 -7.801 2.757 1.00 0.00 N ATOM 936 CA SER A 64 26.734 -9.139 3.186 1.00 0.00 C ATOM 937 C SER A 64 28.103 -9.486 2.621 1.00 0.00 C ATOM 938 O SER A 64 28.226 -10.187 1.612 1.00 0.00 O ATOM 939 CB SER A 64 25.679 -10.118 2.686 1.00 0.00 C ATOM 940 OG SER A 64 24.405 -9.721 3.131 1.00 0.00 O ATOM 0 H SER A 64 25.726 -7.807 1.945 1.00 0.00 H new ATOM 0 HA SER A 64 26.800 -9.190 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.696 -10.159 1.597 1.00 0.00 H new ATOM 0 HB3 SER A 64 25.903 -11.122 3.047 1.00 0.00 H new ATOM 0 HG SER A 64 23.994 -9.133 2.464 1.00 0.00 H new ATOM 946 N VAL A 65 29.148 -8.963 3.250 1.00 0.00 N ATOM 947 CA VAL A 65 30.502 -9.036 2.695 1.00 0.00 C ATOM 948 C VAL A 65 31.486 -9.662 3.684 1.00 0.00 C ATOM 949 O VAL A 65 31.249 -9.713 4.897 1.00 0.00 O ATOM 950 CB VAL A 65 30.971 -7.613 2.218 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.034 -7.074 1.106 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.049 -6.614 3.397 1.00 0.00 C ATOM 0 H VAL A 65 29.088 -8.482 4.147 1.00 0.00 H new ATOM 0 HA VAL A 65 30.481 -9.693 1.825 1.00 0.00 H new ATOM 0 HB VAL A 65 31.975 -7.717 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.375 -6.088 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.050 -7.755 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.017 -7.000 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.376 -5.642 3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.065 -6.516 3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.760 -6.980 4.138 1.00 0.00 H new ATOM 962 N ALA A 66 32.568 -10.190 3.116 1.00 0.00 N ATOM 963 CA ALA A 66 33.671 -10.825 3.844 1.00 0.00 C ATOM 964 C ALA A 66 34.905 -9.909 3.806 1.00 0.00 C ATOM 965 O ALA A 66 35.793 -10.006 4.654 1.00 0.00 O ATOM 966 CB ALA A 66 33.975 -12.188 3.208 1.00 0.00 C ATOM 0 H ALA A 66 32.708 -10.189 2.106 1.00 0.00 H new ATOM 0 HA ALA A 66 33.394 -10.982 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.795 -12.665 3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.089 -12.820 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.258 -12.048 2.165 1.00 0.00 H new ATOM 972 N VAL A 67 34.937 -9.029 2.785 1.00 0.00 N ATOM 973 CA VAL A 67 35.996 -8.023 2.565 1.00 0.00 C ATOM 974 C VAL A 67 35.338 -6.691 2.169 1.00 0.00 C ATOM 975 O VAL A 67 34.108 -6.609 2.096 1.00 0.00 O ATOM 976 CB VAL A 67 37.001 -8.477 1.433 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.872 -9.667 1.898 1.00 0.00 C ATOM 978 CG2 VAL A 67 36.251 -8.808 0.105 1.00 0.00 C ATOM 0 H VAL A 67 34.208 -8.997 2.072 1.00 0.00 H new ATOM 0 HA VAL A 67 36.565 -7.909 3.488 1.00 0.00 H new ATOM 0 HB VAL A 67 37.669 -7.639 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.552 -9.955 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.448 -9.375 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.230 -10.511 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.971 -9.117 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 67 35.540 -9.615 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.717 -7.923 -0.242 1.00 0.00 H new ATOM 988 N THR A 68 36.158 -5.653 1.936 1.00 0.00 N ATOM 989 CA THR A 68 35.674 -4.379 1.397 1.00 0.00 C ATOM 990 C THR A 68 35.256 -4.575 -0.082 1.00 0.00 C ATOM 991 O THR A 68 36.110 -4.935 -0.910 1.00 0.00 O ATOM 992 CB THR A 68 36.763 -3.259 1.508 1.00 0.00 C ATOM 993 OG1 THR A 68 37.156 -3.112 2.885 1.00 0.00 O ATOM 994 CG2 THR A 68 36.256 -1.899 0.965 1.00 0.00 C ATOM 0 H THR A 68 37.162 -5.675 2.114 1.00 0.00 H new ATOM 0 HA THR A 68 34.813 -4.059 1.985 1.00 0.00 H new ATOM 0 HB THR A 68 37.616 -3.560 0.899 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.839 -2.413 2.957 1.00 0.00 H new ATOM 0 HG21 THR A 68 37.044 -1.152 1.062 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.984 -2.005 -0.085 1.00 0.00 H new ATOM 0 HG23 THR A 68 35.383 -1.582 1.536 1.00 0.00 H new ATOM 1002 N PRO A 69 33.939 -4.397 -0.428 1.00 0.00 N ATOM 1003 CA PRO A 69 33.472 -4.475 -1.822 1.00 0.00 C ATOM 1004 C PRO A 69 33.909 -3.222 -2.621 1.00 0.00 C ATOM 1005 O PRO A 69 33.992 -2.117 -2.065 1.00 0.00 O ATOM 1006 CB PRO A 69 31.933 -4.587 -1.681 1.00 0.00 C ATOM 1007 CG PRO A 69 31.600 -3.929 -0.385 1.00 0.00 C ATOM 1008 CD PRO A 69 32.814 -4.106 0.511 1.00 0.00 C ATOM 0 HA PRO A 69 33.891 -5.314 -2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.427 -4.095 -2.512 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.614 -5.629 -1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.377 -2.872 -0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.716 -4.382 0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 69 33.009 -3.207 1.096 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.668 -4.922 1.219 1.00 0.00 H new ATOM 1016 N GLU A 70 34.186 -3.414 -3.922 1.00 0.00 N ATOM 1017 CA GLU A 70 34.710 -2.343 -4.803 1.00 0.00 C ATOM 1018 C GLU A 70 33.659 -1.236 -5.027 1.00 0.00 C ATOM 1019 O GLU A 70 33.995 -0.085 -5.332 1.00 0.00 O ATOM 1020 CB GLU A 70 35.150 -2.947 -6.169 1.00 0.00 C ATOM 1021 CG GLU A 70 36.061 -4.191 -6.081 1.00 0.00 C ATOM 1022 CD GLU A 70 37.384 -3.929 -5.342 1.00 0.00 C ATOM 1023 OE1 GLU A 70 38.305 -3.352 -5.959 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.504 -4.297 -4.151 1.00 0.00 O ATOM 0 H GLU A 70 34.056 -4.308 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 70 35.573 -1.892 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 70 34.257 -3.211 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.671 -2.176 -6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.522 -4.991 -5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 70 36.280 -4.544 -7.089 1.00 0.00 H new ATOM 1031 N ASP A 71 32.384 -1.611 -4.857 1.00 0.00 N ATOM 1032 CA ASP A 71 31.236 -0.728 -5.098 1.00 0.00 C ATOM 1033 C ASP A 71 30.656 -0.163 -3.793 1.00 0.00 C ATOM 1034 O ASP A 71 29.629 0.492 -3.832 1.00 0.00 O ATOM 1035 CB ASP A 71 30.162 -1.504 -5.906 1.00 0.00 C ATOM 1036 CG ASP A 71 30.600 -1.778 -7.356 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.434 -2.675 -7.585 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.125 -1.087 -8.278 1.00 0.00 O ATOM 0 H ASP A 71 32.119 -2.545 -4.545 1.00 0.00 H new ATOM 0 HA ASP A 71 31.573 0.132 -5.676 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.951 -2.451 -5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.233 -0.933 -5.912 1.00 0.00 H new ATOM 1043 N ASN A 72 31.361 -0.356 -2.654 1.00 0.00 N ATOM 1044 CA ASN A 72 30.921 0.146 -1.316 1.00 0.00 C ATOM 1045 C ASN A 72 30.688 1.680 -1.318 1.00 0.00 C ATOM 1046 O ASN A 72 29.765 2.184 -0.668 1.00 0.00 O ATOM 1047 CB ASN A 72 31.977 -0.242 -0.242 1.00 0.00 C ATOM 1048 CG ASN A 72 31.623 0.217 1.183 1.00 0.00 C ATOM 1049 OD1 ASN A 72 30.933 -0.483 1.923 1.00 0.00 O ATOM 1050 ND2 ASN A 72 32.119 1.378 1.591 1.00 0.00 N ATOM 0 H ASN A 72 32.247 -0.860 -2.628 1.00 0.00 H new ATOM 0 HA ASN A 72 29.966 -0.322 -1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.099 -1.325 -0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.939 0.188 -0.522 1.00 0.00 H new ATOM 0 HD21 ASN A 72 31.931 1.709 2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 72 32.688 1.940 0.958 1.00 0.00 H new ATOM 1057 N GLU A 73 31.527 2.375 -2.106 1.00 0.00 N ATOM 1058 CA GLU A 73 31.502 3.849 -2.297 1.00 0.00 C ATOM 1059 C GLU A 73 30.144 4.376 -2.830 1.00 0.00 C ATOM 1060 O GLU A 73 29.822 5.551 -2.663 1.00 0.00 O ATOM 1061 CB GLU A 73 32.652 4.220 -3.273 1.00 0.00 C ATOM 1062 CG GLU A 73 32.595 3.473 -4.626 1.00 0.00 C ATOM 1063 CD GLU A 73 33.838 3.693 -5.502 1.00 0.00 C ATOM 1064 OE1 GLU A 73 34.821 2.932 -5.362 1.00 0.00 O ATOM 1065 OE2 GLU A 73 33.845 4.638 -6.323 1.00 0.00 O ATOM 0 H GLU A 73 32.264 1.921 -2.646 1.00 0.00 H new ATOM 0 HA GLU A 73 31.638 4.325 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 73 32.623 5.293 -3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.606 4.006 -2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 73 32.478 2.406 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 73 31.711 3.799 -5.175 1.00 0.00 H new ATOM 1072 N ARG A 74 29.373 3.486 -3.470 1.00 0.00 N ATOM 1073 CA ARG A 74 28.082 3.807 -4.106 1.00 0.00 C ATOM 1074 C ARG A 74 26.903 3.737 -3.117 1.00 0.00 C ATOM 1075 O ARG A 74 25.888 4.426 -3.279 1.00 0.00 O ATOM 1076 CB ARG A 74 27.862 2.817 -5.271 1.00 0.00 C ATOM 1077 CG ARG A 74 28.978 2.853 -6.334 1.00 0.00 C ATOM 1078 CD ARG A 74 28.826 1.741 -7.387 1.00 0.00 C ATOM 1079 NE ARG A 74 27.467 1.679 -7.945 1.00 0.00 N ATOM 1080 CZ ARG A 74 26.735 0.564 -8.102 1.00 0.00 C ATOM 1081 NH1 ARG A 74 27.237 -0.647 -7.872 1.00 0.00 N ATOM 1082 NH2 ARG A 74 25.488 0.676 -8.526 1.00 0.00 N ATOM 0 H ARG A 74 29.632 2.504 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 74 28.119 4.834 -4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.788 1.807 -4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.909 3.040 -5.750 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.970 3.823 -6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.946 2.754 -5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 74 29.540 1.908 -8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 74 29.075 0.781 -6.936 1.00 0.00 H new ATOM 0 HE ARG A 74 27.043 2.559 -8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 74 28.205 -0.748 -7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 74 26.654 -1.474 -8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 74 25.099 1.597 -8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 74 24.915 -0.159 -8.652 1.00 0.00 H new ATOM 1096 N PHE A 75 27.056 2.887 -2.102 1.00 0.00 N ATOM 1097 CA PHE A 75 25.987 2.568 -1.130 1.00 0.00 C ATOM 1098 C PHE A 75 26.154 3.343 0.180 1.00 0.00 C ATOM 1099 O PHE A 75 25.204 3.468 0.944 1.00 0.00 O ATOM 1100 CB PHE A 75 25.996 1.050 -0.832 1.00 0.00 C ATOM 1101 CG PHE A 75 25.796 0.172 -2.060 1.00 0.00 C ATOM 1102 CD1 PHE A 75 26.849 -0.084 -2.930 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.568 -0.397 -2.342 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.685 -0.881 -4.040 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.407 -1.194 -3.447 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.464 -1.439 -4.301 1.00 0.00 C ATOM 0 H PHE A 75 27.929 2.391 -1.922 1.00 0.00 H new ATOM 0 HA PHE A 75 25.036 2.863 -1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 75 26.945 0.789 -0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.211 0.828 -0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 75 27.817 0.352 -2.731 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.729 -0.213 -1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.518 -1.065 -4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.442 -1.635 -3.651 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.327 -2.067 -5.169 1.00 0.00 H new ATOM 1116 N GLU A 76 27.364 3.868 0.404 1.00 0.00 N ATOM 1117 CA GLU A 76 27.798 4.423 1.701 1.00 0.00 C ATOM 1118 C GLU A 76 26.904 5.599 2.198 1.00 0.00 C ATOM 1119 O GLU A 76 26.727 5.780 3.408 1.00 0.00 O ATOM 1120 CB GLU A 76 29.287 4.845 1.569 1.00 0.00 C ATOM 1121 CG GLU A 76 29.948 5.350 2.866 1.00 0.00 C ATOM 1122 CD GLU A 76 31.446 5.656 2.697 1.00 0.00 C ATOM 1123 OE1 GLU A 76 31.787 6.697 2.095 1.00 0.00 O ATOM 1124 OE2 GLU A 76 32.288 4.845 3.153 1.00 0.00 O ATOM 0 H GLU A 76 28.083 3.922 -0.318 1.00 0.00 H new ATOM 0 HA GLU A 76 27.690 3.653 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 76 29.857 3.993 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.359 5.629 0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 76 29.434 6.251 3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 76 29.822 4.601 3.647 1.00 0.00 H new ATOM 1131 N SER A 77 26.310 6.357 1.255 1.00 0.00 N ATOM 1132 CA SER A 77 25.451 7.527 1.565 1.00 0.00 C ATOM 1133 C SER A 77 23.978 7.115 1.844 1.00 0.00 C ATOM 1134 O SER A 77 23.125 7.967 2.122 1.00 0.00 O ATOM 1135 CB SER A 77 25.530 8.544 0.401 1.00 0.00 C ATOM 1136 OG SER A 77 24.922 9.785 0.731 1.00 0.00 O ATOM 0 H SER A 77 26.410 6.179 0.256 1.00 0.00 H new ATOM 0 HA SER A 77 25.822 7.990 2.479 1.00 0.00 H new ATOM 0 HB2 SER A 77 26.574 8.712 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 77 25.042 8.125 -0.479 1.00 0.00 H new ATOM 0 HG SER A 77 24.182 9.631 1.355 1.00 0.00 H new ATOM 1142 N ARG A 78 23.691 5.807 1.779 1.00 0.00 N ATOM 1143 CA ARG A 78 22.346 5.243 2.019 1.00 0.00 C ATOM 1144 C ARG A 78 22.360 4.362 3.280 1.00 0.00 C ATOM 1145 O ARG A 78 23.433 4.042 3.814 1.00 0.00 O ATOM 1146 CB ARG A 78 21.878 4.418 0.795 1.00 0.00 C ATOM 1147 CG ARG A 78 21.855 5.177 -0.547 1.00 0.00 C ATOM 1148 CD ARG A 78 20.864 6.349 -0.580 1.00 0.00 C ATOM 1149 NE ARG A 78 20.850 6.993 -1.906 1.00 0.00 N ATOM 1150 CZ ARG A 78 20.008 7.968 -2.298 1.00 0.00 C ATOM 1151 NH1 ARG A 78 19.064 8.433 -1.490 1.00 0.00 N ATOM 1152 NH2 ARG A 78 20.111 8.469 -3.519 1.00 0.00 N ATOM 0 H ARG A 78 24.391 5.099 1.556 1.00 0.00 H new ATOM 0 HA ARG A 78 21.646 6.065 2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 78 22.531 3.552 0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.876 4.039 0.996 1.00 0.00 H new ATOM 0 HG2 ARG A 78 22.856 5.554 -0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 78 21.603 4.478 -1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 78 19.864 5.991 -0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.136 7.081 0.181 1.00 0.00 H new ATOM 0 HE ARG A 78 21.539 6.672 -2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.964 8.051 -0.549 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.438 9.172 -1.809 1.00 0.00 H new ATOM 0 HH21 ARG A 78 20.825 8.116 -4.156 1.00 0.00 H new ATOM 0 HH22 ARG A 78 19.476 9.208 -3.822 1.00 0.00 H new ATOM 1166 N ASP A 79 21.157 3.979 3.752 1.00 0.00 N ATOM 1167 CA ASP A 79 20.988 3.162 4.972 1.00 0.00 C ATOM 1168 C ASP A 79 21.351 1.692 4.685 1.00 0.00 C ATOM 1169 O ASP A 79 20.501 0.871 4.297 1.00 0.00 O ATOM 1170 CB ASP A 79 19.545 3.295 5.537 1.00 0.00 C ATOM 1171 CG ASP A 79 19.230 4.726 6.018 1.00 0.00 C ATOM 1172 OD1 ASP A 79 19.814 5.153 7.039 1.00 0.00 O ATOM 1173 OD2 ASP A 79 18.409 5.431 5.382 1.00 0.00 O ATOM 0 H ASP A 79 20.277 4.226 3.300 1.00 0.00 H new ATOM 0 HA ASP A 79 21.670 3.534 5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.829 3.008 4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.417 2.600 6.367 1.00 0.00 H new ATOM 1178 N VAL A 80 22.656 1.401 4.820 1.00 0.00 N ATOM 1179 CA VAL A 80 23.224 0.069 4.610 1.00 0.00 C ATOM 1180 C VAL A 80 23.482 -0.611 5.956 1.00 0.00 C ATOM 1181 O VAL A 80 24.166 -0.064 6.831 1.00 0.00 O ATOM 1182 CB VAL A 80 24.570 0.126 3.804 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.142 -1.285 3.567 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.395 0.880 2.474 1.00 0.00 C ATOM 0 H VAL A 80 23.352 2.099 5.082 1.00 0.00 H new ATOM 0 HA VAL A 80 22.499 -0.502 4.030 1.00 0.00 H new ATOM 0 HB VAL A 80 25.289 0.679 4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.074 -1.210 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.333 -1.766 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.424 -1.878 3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.345 0.902 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.647 0.373 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.068 1.900 2.674 1.00 0.00 H new ATOM 1194 N TYR A 81 22.927 -1.812 6.095 1.00 0.00 N ATOM 1195 CA TYR A 81 23.140 -2.689 7.239 1.00 0.00 C ATOM 1196 C TYR A 81 24.206 -3.719 6.836 1.00 0.00 C ATOM 1197 O TYR A 81 23.899 -4.763 6.241 1.00 0.00 O ATOM 1198 CB TYR A 81 21.787 -3.342 7.655 1.00 0.00 C ATOM 1199 CG TYR A 81 20.697 -2.300 8.010 1.00 0.00 C ATOM 1200 CD1 TYR A 81 19.989 -1.623 7.005 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.403 -1.972 9.336 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.039 -0.670 7.312 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.443 -1.019 9.643 1.00 0.00 C ATOM 1204 CZ TYR A 81 18.768 -0.372 8.630 1.00 0.00 C ATOM 1205 OH TYR A 81 17.813 0.576 8.935 1.00 0.00 O ATOM 0 H TYR A 81 22.301 -2.211 5.396 1.00 0.00 H new ATOM 0 HA TYR A 81 23.498 -2.144 8.112 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.428 -3.972 6.841 1.00 0.00 H new ATOM 0 HB3 TYR A 81 21.953 -3.993 8.513 1.00 0.00 H new ATOM 0 HD1 TYR A 81 20.192 -1.853 5.969 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.932 -2.469 10.136 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.509 -0.159 6.521 1.00 0.00 H new ATOM 0 HE2 TYR A 81 19.225 -0.784 10.674 1.00 0.00 H new ATOM 0 HH TYR A 81 17.742 0.667 9.908 1.00 0.00 H new ATOM 1215 N GLU A 82 25.478 -3.356 7.084 1.00 0.00 N ATOM 1216 CA GLU A 82 26.632 -4.184 6.713 1.00 0.00 C ATOM 1217 C GLU A 82 26.814 -5.322 7.732 1.00 0.00 C ATOM 1218 O GLU A 82 26.915 -5.086 8.941 1.00 0.00 O ATOM 1219 CB GLU A 82 27.930 -3.342 6.632 1.00 0.00 C ATOM 1220 CG GLU A 82 29.168 -4.135 6.141 1.00 0.00 C ATOM 1221 CD GLU A 82 30.495 -3.392 6.355 1.00 0.00 C ATOM 1222 OE1 GLU A 82 30.779 -2.426 5.613 1.00 0.00 O ATOM 1223 OE2 GLU A 82 31.254 -3.761 7.280 1.00 0.00 O ATOM 0 H GLU A 82 25.730 -2.482 7.546 1.00 0.00 H new ATOM 0 HA GLU A 82 26.438 -4.605 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 82 27.762 -2.499 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 82 28.144 -2.928 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 82 29.208 -5.091 6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 82 29.051 -4.356 5.080 1.00 0.00 H new ATOM 1230 N ILE A 83 26.848 -6.548 7.217 1.00 0.00 N ATOM 1231 CA ILE A 83 27.068 -7.774 7.999 1.00 0.00 C ATOM 1232 C ILE A 83 28.204 -8.600 7.350 1.00 0.00 C ATOM 1233 O ILE A 83 28.851 -8.144 6.389 1.00 0.00 O ATOM 1234 CB ILE A 83 25.759 -8.647 8.046 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.346 -9.060 6.597 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.600 -7.905 8.769 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.248 -10.086 6.516 1.00 0.00 C ATOM 0 H ILE A 83 26.721 -6.727 6.221 1.00 0.00 H new ATOM 0 HA ILE A 83 27.341 -7.493 9.016 1.00 0.00 H new ATOM 0 HB ILE A 83 25.968 -9.547 8.623 1.00 0.00 H new ATOM 0 HG12 ILE A 83 25.029 -8.167 6.058 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.224 -9.449 6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.714 -8.539 8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 83 24.897 -7.676 9.793 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.376 -6.978 8.241 1.00 0.00 H new ATOM 0 HD11 ILE A 83 24.033 -10.307 5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.564 -10.998 7.022 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.350 -9.697 6.997 1.00 0.00 H new ATOM 1249 N THR A 84 28.444 -9.812 7.876 1.00 0.00 N ATOM 1250 CA THR A 84 29.280 -10.809 7.203 1.00 0.00 C ATOM 1251 C THR A 84 28.442 -11.593 6.188 1.00 0.00 C ATOM 1252 O THR A 84 27.237 -11.792 6.380 1.00 0.00 O ATOM 1253 CB THR A 84 29.934 -11.793 8.214 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.940 -12.311 9.112 1.00 0.00 O ATOM 1255 CG2 THR A 84 31.060 -11.108 8.999 1.00 0.00 C ATOM 0 H THR A 84 28.066 -10.123 8.771 1.00 0.00 H new ATOM 0 HA THR A 84 30.080 -10.276 6.690 1.00 0.00 H new ATOM 0 HB THR A 84 30.370 -12.620 7.654 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.361 -12.931 9.744 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.500 -11.818 9.699 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.826 -10.759 8.307 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.655 -10.259 9.550 1.00 0.00 H new ATOM 1263 N LEU A 85 29.100 -12.039 5.106 1.00 0.00 N ATOM 1264 CA LEU A 85 28.451 -12.829 4.032 1.00 0.00 C ATOM 1265 C LEU A 85 27.891 -14.168 4.561 1.00 0.00 C ATOM 1266 O LEU A 85 26.882 -14.669 4.059 1.00 0.00 O ATOM 1267 CB LEU A 85 29.457 -13.030 2.864 1.00 0.00 C ATOM 1268 CG LEU A 85 28.867 -13.605 1.521 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.570 -13.004 0.290 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.924 -15.147 1.478 1.00 0.00 C ATOM 0 H LEU A 85 30.092 -11.866 4.946 1.00 0.00 H new ATOM 0 HA LEU A 85 27.590 -12.277 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.925 -12.070 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.246 -13.700 3.205 1.00 0.00 H new ATOM 0 HG LEU A 85 27.818 -13.311 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.137 -13.424 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.438 -11.922 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.634 -13.240 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.507 -15.500 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.960 -15.475 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.345 -15.556 2.306 1.00 0.00 H new ATOM 1282 N GLN A 86 28.562 -14.719 5.589 1.00 0.00 N ATOM 1283 CA GLN A 86 28.132 -15.951 6.270 1.00 0.00 C ATOM 1284 C GLN A 86 26.744 -15.766 6.921 1.00 0.00 C ATOM 1285 O GLN A 86 25.883 -16.645 6.823 1.00 0.00 O ATOM 1286 CB GLN A 86 29.171 -16.337 7.351 1.00 0.00 C ATOM 1287 CG GLN A 86 28.827 -17.621 8.128 1.00 0.00 C ATOM 1288 CD GLN A 86 29.814 -17.954 9.247 1.00 0.00 C ATOM 1289 OE1 GLN A 86 30.799 -18.661 9.039 1.00 0.00 O ATOM 1290 NE2 GLN A 86 29.564 -17.422 10.437 1.00 0.00 N ATOM 0 H GLN A 86 29.420 -14.320 5.971 1.00 0.00 H new ATOM 0 HA GLN A 86 28.059 -16.748 5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.144 -16.463 6.875 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.266 -15.513 8.058 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.830 -17.518 8.556 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.790 -18.457 7.430 1.00 0.00 H new ATOM 0 HE21 GLN A 86 28.737 -16.841 10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 86 30.199 -17.595 11.216 1.00 0.00 H new ATOM 1299 N ASP A 87 26.556 -14.600 7.567 1.00 0.00 N ATOM 1300 CA ASP A 87 25.302 -14.246 8.268 1.00 0.00 C ATOM 1301 C ASP A 87 24.128 -14.171 7.285 1.00 0.00 C ATOM 1302 O ASP A 87 23.005 -14.493 7.629 1.00 0.00 O ATOM 1303 CB ASP A 87 25.454 -12.892 9.023 1.00 0.00 C ATOM 1304 CG ASP A 87 24.415 -12.703 10.145 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.519 -13.409 11.175 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.512 -11.844 10.021 1.00 0.00 O ATOM 0 H ASP A 87 27.270 -13.873 7.619 1.00 0.00 H new ATOM 0 HA ASP A 87 25.095 -15.030 8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.455 -12.832 9.450 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.362 -12.073 8.310 1.00 0.00 H new ATOM 1311 N ALA A 88 24.429 -13.768 6.044 1.00 0.00 N ATOM 1312 CA ALA A 88 23.438 -13.642 4.958 1.00 0.00 C ATOM 1313 C ALA A 88 22.891 -14.993 4.491 1.00 0.00 C ATOM 1314 O ALA A 88 21.905 -15.037 3.756 1.00 0.00 O ATOM 1315 CB ALA A 88 24.071 -12.910 3.793 1.00 0.00 C ATOM 0 H ALA A 88 25.376 -13.517 5.759 1.00 0.00 H new ATOM 0 HA ALA A 88 22.590 -13.080 5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.345 -12.813 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.389 -11.919 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.935 -13.471 3.437 1.00 0.00 H new ATOM 1321 N ILE A 89 23.566 -16.072 4.882 1.00 0.00 N ATOM 1322 CA ILE A 89 23.162 -17.443 4.561 1.00 0.00 C ATOM 1323 C ILE A 89 22.368 -18.040 5.748 1.00 0.00 C ATOM 1324 O ILE A 89 21.212 -18.443 5.599 1.00 0.00 O ATOM 1325 CB ILE A 89 24.439 -18.312 4.242 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.330 -17.603 3.159 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.045 -19.737 3.785 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.717 -18.199 2.962 1.00 0.00 C ATOM 0 H ILE A 89 24.420 -16.020 5.438 1.00 0.00 H new ATOM 0 HA ILE A 89 22.519 -17.442 3.681 1.00 0.00 H new ATOM 0 HB ILE A 89 25.022 -18.407 5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 89 24.803 -17.630 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.440 -16.554 3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 89 24.946 -20.313 3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.478 -20.229 4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.433 -19.674 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.249 -17.637 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.272 -18.147 3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.625 -19.240 2.652 1.00 0.00 H new ATOM 1340 N LYS A 90 23.002 -18.043 6.937 1.00 0.00 N ATOM 1341 CA LYS A 90 22.459 -18.702 8.153 1.00 0.00 C ATOM 1342 C LYS A 90 21.348 -17.877 8.840 1.00 0.00 C ATOM 1343 O LYS A 90 20.447 -18.444 9.461 1.00 0.00 O ATOM 1344 CB LYS A 90 23.598 -18.991 9.172 1.00 0.00 C ATOM 1345 CG LYS A 90 24.456 -17.757 9.555 1.00 0.00 C ATOM 1346 CD LYS A 90 25.431 -18.027 10.726 1.00 0.00 C ATOM 1347 CE LYS A 90 26.395 -19.192 10.454 1.00 0.00 C ATOM 1348 NZ LYS A 90 27.340 -19.419 11.583 1.00 0.00 N ATOM 0 H LYS A 90 23.904 -17.591 7.087 1.00 0.00 H new ATOM 0 HA LYS A 90 22.011 -19.638 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 90 23.158 -19.406 10.079 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.253 -19.757 8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 90 25.026 -17.436 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.795 -16.933 9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 90 26.009 -17.124 10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.856 -18.242 11.627 1.00 0.00 H new ATOM 0 HE2 LYS A 90 25.821 -20.101 10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.961 -18.988 9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 28.094 -20.068 11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 27.760 -18.512 11.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 26.827 -19.835 12.387 1.00 0.00 H new ATOM 1362 N ASN A 91 21.420 -16.546 8.727 1.00 0.00 N ATOM 1363 CA ASN A 91 20.493 -15.616 9.416 1.00 0.00 C ATOM 1364 C ASN A 91 19.698 -14.786 8.390 1.00 0.00 C ATOM 1365 O ASN A 91 19.080 -13.804 8.768 1.00 0.00 O ATOM 1366 CB ASN A 91 21.291 -14.665 10.355 1.00 0.00 C ATOM 1367 CG ASN A 91 20.416 -13.915 11.373 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.556 -14.505 12.032 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.556 -12.601 11.432 1.00 0.00 N ATOM 0 H ASN A 91 22.121 -16.074 8.156 1.00 0.00 H new ATOM 0 HA ASN A 91 19.793 -16.204 10.010 1.00 0.00 H new ATOM 0 HB2 ASN A 91 22.040 -15.246 10.893 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.829 -13.937 9.747 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.944 -12.049 12.033 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.276 -12.139 10.876 1.00 0.00 H new ATOM 1376 N ALA A 92 19.701 -15.213 7.111 1.00 0.00 N ATOM 1377 CA ALA A 92 19.098 -14.466 5.970 1.00 0.00 C ATOM 1378 C ALA A 92 17.732 -13.835 6.303 1.00 0.00 C ATOM 1379 O ALA A 92 17.556 -12.605 6.227 1.00 0.00 O ATOM 1380 CB ALA A 92 18.955 -15.399 4.773 1.00 0.00 C ATOM 0 H ALA A 92 20.126 -16.097 6.830 1.00 0.00 H new ATOM 0 HA ALA A 92 19.773 -13.641 5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.514 -14.855 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.937 -15.773 4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 92 18.311 -16.237 5.040 1.00 0.00 H new ATOM 1386 N ALA A 93 16.797 -14.702 6.711 1.00 0.00 N ATOM 1387 CA ALA A 93 15.441 -14.302 7.093 1.00 0.00 C ATOM 1388 C ALA A 93 15.468 -13.356 8.299 1.00 0.00 C ATOM 1389 O ALA A 93 14.755 -12.351 8.311 1.00 0.00 O ATOM 1390 CB ALA A 93 14.592 -15.547 7.375 1.00 0.00 C ATOM 0 H ALA A 93 16.963 -15.706 6.785 1.00 0.00 H new ATOM 0 HA ALA A 93 14.987 -13.756 6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.584 -15.244 7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.546 -16.166 6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.041 -16.117 8.188 1.00 0.00 H new ATOM 1396 N GLY A 94 16.347 -13.678 9.272 1.00 0.00 N ATOM 1397 CA GLY A 94 16.505 -12.900 10.502 1.00 0.00 C ATOM 1398 C GLY A 94 16.895 -11.453 10.226 1.00 0.00 C ATOM 1399 O GLY A 94 16.318 -10.539 10.796 1.00 0.00 O ATOM 0 H GLY A 94 16.965 -14.488 9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.572 -12.921 11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.266 -13.366 11.128 1.00 0.00 H new ATOM 1403 N ILE A 95 17.844 -11.267 9.301 1.00 0.00 N ATOM 1404 CA ILE A 95 18.362 -9.949 8.903 1.00 0.00 C ATOM 1405 C ILE A 95 17.225 -9.073 8.358 1.00 0.00 C ATOM 1406 O ILE A 95 16.954 -8.007 8.916 1.00 0.00 O ATOM 1407 CB ILE A 95 19.477 -10.110 7.810 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.653 -10.989 8.333 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.008 -8.735 7.316 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.385 -11.718 7.239 1.00 0.00 C ATOM 0 H ILE A 95 18.282 -12.039 8.799 1.00 0.00 H new ATOM 0 HA ILE A 95 18.792 -9.468 9.781 1.00 0.00 H new ATOM 0 HB ILE A 95 19.018 -10.614 6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.358 -10.357 8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.265 -11.715 9.047 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.778 -8.892 6.561 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.188 -8.162 6.884 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.432 -8.185 8.157 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.191 -12.311 7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.693 -12.376 6.714 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.803 -10.996 6.537 1.00 0.00 H new ATOM 1422 N ILE A 96 16.553 -9.565 7.291 1.00 0.00 N ATOM 1423 CA ILE A 96 15.476 -8.819 6.596 1.00 0.00 C ATOM 1424 C ILE A 96 14.381 -8.377 7.594 1.00 0.00 C ATOM 1425 O ILE A 96 14.050 -7.191 7.653 1.00 0.00 O ATOM 1426 CB ILE A 96 14.861 -9.658 5.391 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.741 -9.515 4.095 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.382 -9.297 5.072 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.065 -10.249 4.102 1.00 0.00 C ATOM 0 H ILE A 96 16.740 -10.484 6.889 1.00 0.00 H new ATOM 0 HA ILE A 96 15.920 -7.922 6.165 1.00 0.00 H new ATOM 0 HB ILE A 96 14.867 -10.696 5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.158 -9.868 3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 96 15.937 -8.456 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.030 -9.908 4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.764 -9.487 5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.315 -8.243 4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.582 -10.076 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.680 -9.883 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.888 -11.317 4.229 1.00 0.00 H new ATOM 1441 N LYS A 97 13.872 -9.333 8.404 1.00 0.00 N ATOM 1442 CA LYS A 97 12.750 -9.073 9.338 1.00 0.00 C ATOM 1443 C LYS A 97 13.146 -8.114 10.477 1.00 0.00 C ATOM 1444 O LYS A 97 12.294 -7.385 10.996 1.00 0.00 O ATOM 1445 CB LYS A 97 12.155 -10.404 9.893 1.00 0.00 C ATOM 1446 CG LYS A 97 13.110 -11.303 10.738 1.00 0.00 C ATOM 1447 CD LYS A 97 13.216 -10.937 12.244 1.00 0.00 C ATOM 1448 CE LYS A 97 11.883 -11.054 12.995 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.040 -10.752 14.443 1.00 0.00 N ATOM 0 H LYS A 97 14.220 -10.292 8.430 1.00 0.00 H new ATOM 0 HA LYS A 97 11.970 -8.572 8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.288 -10.159 10.506 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.793 -10.992 9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.774 -12.337 10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.107 -11.256 10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.950 -11.589 12.718 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.589 -9.917 12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.157 -10.369 12.557 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.484 -12.061 12.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.328 -11.280 14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.992 -11.032 14.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.910 -9.732 14.601 1.00 0.00 H new ATOM 1463 N GLU A 98 14.441 -8.133 10.868 1.00 0.00 N ATOM 1464 CA GLU A 98 14.973 -7.236 11.918 1.00 0.00 C ATOM 1465 C GLU A 98 14.972 -5.788 11.414 1.00 0.00 C ATOM 1466 O GLU A 98 14.670 -4.864 12.173 1.00 0.00 O ATOM 1467 CB GLU A 98 16.404 -7.665 12.376 1.00 0.00 C ATOM 1468 CG GLU A 98 16.456 -8.883 13.326 1.00 0.00 C ATOM 1469 CD GLU A 98 15.720 -8.673 14.661 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.345 -8.182 15.628 1.00 0.00 O ATOM 1471 OE2 GLU A 98 14.521 -9.012 14.754 1.00 0.00 O ATOM 0 H GLU A 98 15.138 -8.762 10.470 1.00 0.00 H new ATOM 0 HA GLU A 98 14.323 -7.311 12.790 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.999 -7.890 11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.878 -6.818 12.872 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.024 -9.745 12.818 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.499 -9.124 13.533 1.00 0.00 H new ATOM 1478 N ILE A 99 15.264 -5.608 10.116 1.00 0.00 N ATOM 1479 CA ILE A 99 15.344 -4.270 9.508 1.00 0.00 C ATOM 1480 C ILE A 99 13.924 -3.741 9.273 1.00 0.00 C ATOM 1481 O ILE A 99 13.651 -2.551 9.440 1.00 0.00 O ATOM 1482 CB ILE A 99 16.131 -4.290 8.154 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.524 -4.977 8.319 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.297 -2.855 7.604 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.183 -5.365 7.007 1.00 0.00 C ATOM 0 H ILE A 99 15.449 -6.373 9.467 1.00 0.00 H new ATOM 0 HA ILE A 99 15.885 -3.617 10.193 1.00 0.00 H new ATOM 0 HB ILE A 99 15.552 -4.874 7.438 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.187 -4.303 8.861 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.406 -5.870 8.932 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.846 -2.887 6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.315 -2.414 7.436 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.848 -2.251 8.325 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.145 -5.836 7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.542 -6.065 6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.335 -4.473 6.399 1.00 0.00 H new ATOM 1497 N GLU A 100 13.037 -4.675 8.905 1.00 0.00 N ATOM 1498 CA GLU A 100 11.613 -4.418 8.681 1.00 0.00 C ATOM 1499 C GLU A 100 10.961 -3.823 9.925 1.00 0.00 C ATOM 1500 O GLU A 100 10.350 -2.767 9.840 1.00 0.00 O ATOM 1501 CB GLU A 100 10.908 -5.737 8.259 1.00 0.00 C ATOM 1502 CG GLU A 100 11.204 -6.169 6.813 1.00 0.00 C ATOM 1503 CD GLU A 100 10.314 -5.454 5.780 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.530 -4.246 5.518 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.387 -6.083 5.231 1.00 0.00 O ATOM 0 H GLU A 100 13.297 -5.649 8.752 1.00 0.00 H new ATOM 0 HA GLU A 100 11.508 -3.688 7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.216 -6.534 8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.831 -5.616 8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.251 -5.966 6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.061 -7.246 6.724 1.00 0.00 H new ATOM 1512 N GLU A 101 11.136 -4.493 11.079 1.00 0.00 N ATOM 1513 CA GLU A 101 10.503 -4.078 12.345 1.00 0.00 C ATOM 1514 C GLU A 101 11.134 -2.783 12.906 1.00 0.00 C ATOM 1515 O GLU A 101 10.434 -1.983 13.530 1.00 0.00 O ATOM 1516 CB GLU A 101 10.546 -5.224 13.389 1.00 0.00 C ATOM 1517 CG GLU A 101 11.950 -5.666 13.831 1.00 0.00 C ATOM 1518 CD GLU A 101 11.919 -6.819 14.842 1.00 0.00 C ATOM 1519 OE1 GLU A 101 11.642 -7.962 14.433 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.121 -6.581 16.057 1.00 0.00 O ATOM 0 H GLU A 101 11.714 -5.329 11.161 1.00 0.00 H new ATOM 0 HA GLU A 101 9.457 -3.857 12.130 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.989 -4.909 14.271 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.026 -6.088 12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.522 -5.972 12.955 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.472 -4.816 14.272 1.00 0.00 H new ATOM 1527 N MET A 102 12.450 -2.575 12.667 1.00 0.00 N ATOM 1528 CA MET A 102 13.162 -1.349 13.101 1.00 0.00 C ATOM 1529 C MET A 102 12.632 -0.108 12.351 1.00 0.00 C ATOM 1530 O MET A 102 12.212 0.883 12.975 1.00 0.00 O ATOM 1531 CB MET A 102 14.704 -1.489 12.899 1.00 0.00 C ATOM 1532 CG MET A 102 15.415 -2.376 13.937 1.00 0.00 C ATOM 1533 SD MET A 102 17.225 -2.341 13.808 1.00 0.00 S ATOM 1534 CE MET A 102 17.531 -3.013 12.173 1.00 0.00 C ATOM 0 H MET A 102 13.042 -3.243 12.174 1.00 0.00 H new ATOM 0 HA MET A 102 12.970 -1.217 14.166 1.00 0.00 H new ATOM 0 HB2 MET A 102 14.890 -1.897 11.905 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.151 -0.495 12.925 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.124 -2.054 14.937 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.071 -3.404 13.820 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.603 -3.155 12.033 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.022 -3.971 12.072 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.155 -2.321 11.419 1.00 0.00 H new ATOM 1544 N ILE A 103 12.637 -0.191 11.009 1.00 0.00 N ATOM 1545 CA ILE A 103 12.169 0.900 10.134 1.00 0.00 C ATOM 1546 C ILE A 103 10.642 1.100 10.278 1.00 0.00 C ATOM 1547 O ILE A 103 10.149 2.227 10.217 1.00 0.00 O ATOM 1548 CB ILE A 103 12.573 0.642 8.628 1.00 0.00 C ATOM 1549 CG1 ILE A 103 14.137 0.591 8.488 1.00 0.00 C ATOM 1550 CG2 ILE A 103 11.953 1.697 7.665 1.00 0.00 C ATOM 1551 CD1 ILE A 103 14.667 0.459 7.062 1.00 0.00 C ATOM 0 H ILE A 103 12.964 -1.013 10.501 1.00 0.00 H new ATOM 0 HA ILE A 103 12.661 1.819 10.451 1.00 0.00 H new ATOM 0 HB ILE A 103 12.164 -0.325 8.335 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.553 1.497 8.929 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.509 -0.249 9.074 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.258 1.479 6.642 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.866 1.659 7.735 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.300 2.692 7.943 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.757 0.433 7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.289 -0.462 6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.334 1.311 6.470 1.00 0.00 H new ATOM 1563 N ALA A 104 9.906 0.006 10.518 1.00 0.00 N ATOM 1564 CA ALA A 104 8.448 0.073 10.719 1.00 0.00 C ATOM 1565 C ALA A 104 8.106 0.698 12.082 1.00 0.00 C ATOM 1566 O ALA A 104 7.044 1.261 12.234 1.00 0.00 O ATOM 1567 CB ALA A 104 7.797 -1.312 10.581 1.00 0.00 C ATOM 0 H ALA A 104 10.294 -0.936 10.578 1.00 0.00 H new ATOM 0 HA ALA A 104 8.041 0.714 9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.721 -1.225 10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.990 -1.707 9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.217 -1.987 11.326 1.00 0.00 H new ATOM 1573 N SER A 105 9.018 0.609 13.063 1.00 0.00 N ATOM 1574 CA SER A 105 8.768 1.145 14.416 1.00 0.00 C ATOM 1575 C SER A 105 8.946 2.676 14.442 1.00 0.00 C ATOM 1576 O SER A 105 8.182 3.383 15.112 1.00 0.00 O ATOM 1577 CB SER A 105 9.691 0.459 15.446 1.00 0.00 C ATOM 1578 OG SER A 105 9.350 0.808 16.780 1.00 0.00 O ATOM 0 H SER A 105 9.933 0.173 12.948 1.00 0.00 H new ATOM 0 HA SER A 105 7.735 0.928 14.688 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.627 -0.623 15.326 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.726 0.741 15.250 1.00 0.00 H new ATOM 0 HG SER A 105 9.955 0.353 17.402 1.00 0.00 H new ATOM 1584 N GLU A 106 9.958 3.181 13.706 1.00 0.00 N ATOM 1585 CA GLU A 106 10.226 4.635 13.619 1.00 0.00 C ATOM 1586 C GLU A 106 9.149 5.353 12.762 1.00 0.00 C ATOM 1587 O GLU A 106 8.729 6.464 13.092 1.00 0.00 O ATOM 1588 CB GLU A 106 11.658 4.908 13.065 1.00 0.00 C ATOM 1589 CG GLU A 106 11.927 4.322 11.669 1.00 0.00 C ATOM 1590 CD GLU A 106 13.312 4.665 11.096 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.290 3.963 11.423 1.00 0.00 O ATOM 1592 OE2 GLU A 106 13.432 5.640 10.323 1.00 0.00 O ATOM 0 H GLU A 106 10.603 2.606 13.164 1.00 0.00 H new ATOM 0 HA GLU A 106 10.174 5.044 14.628 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.820 5.985 13.030 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.388 4.498 13.763 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.825 3.238 11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.162 4.684 10.982 1.00 0.00 H new ATOM 1599 N GLN A 107 8.690 4.689 11.679 1.00 0.00 N ATOM 1600 CA GLN A 107 7.701 5.269 10.736 1.00 0.00 C ATOM 1601 C GLN A 107 6.259 5.071 11.243 1.00 0.00 C ATOM 1602 O GLN A 107 5.374 5.887 10.956 1.00 0.00 O ATOM 1603 CB GLN A 107 7.859 4.644 9.324 1.00 0.00 C ATOM 1604 CG GLN A 107 9.263 4.803 8.689 1.00 0.00 C ATOM 1605 CD GLN A 107 9.645 6.232 8.275 1.00 0.00 C ATOM 1606 OE1 GLN A 107 9.217 7.226 8.858 1.00 0.00 O ATOM 1607 NE2 GLN A 107 10.484 6.340 7.256 1.00 0.00 N ATOM 0 H GLN A 107 8.989 3.745 11.433 1.00 0.00 H new ATOM 0 HA GLN A 107 7.896 6.340 10.673 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.623 3.582 9.385 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.123 5.096 8.659 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.006 4.438 9.398 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.319 4.162 7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.827 5.502 6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.787 7.261 6.941 1.00 0.00 H new ATOM 1616 N GLN A 108 6.023 3.966 11.975 1.00 0.00 N ATOM 1617 CA GLN A 108 4.709 3.649 12.568 1.00 0.00 C ATOM 1618 C GLN A 108 4.843 3.709 14.111 1.00 0.00 C ATOM 1619 O GLN A 108 4.782 4.825 14.671 1.00 0.00 O ATOM 1620 CB GLN A 108 4.203 2.248 12.075 1.00 0.00 C ATOM 1621 CG GLN A 108 4.232 2.025 10.546 1.00 0.00 C ATOM 1622 CD GLN A 108 3.454 3.066 9.735 1.00 0.00 C ATOM 1623 OE1 GLN A 108 2.451 3.620 10.182 1.00 0.00 O ATOM 1624 NE2 GLN A 108 3.907 3.336 8.522 1.00 0.00 N ATOM 1625 OXT GLN A 108 5.046 2.653 14.753 1.00 0.00 O ATOM 0 H GLN A 108 6.739 3.267 12.172 1.00 0.00 H new ATOM 0 HA GLN A 108 3.964 4.378 12.249 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.810 1.476 12.548 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.180 2.108 12.425 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.269 2.025 10.212 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.827 1.037 10.328 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.741 2.864 8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.422 4.016 7.936 1.00 0.00 H new