USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 560 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 30 HIS : no HD1:sc= -0.783 K(o=-4,f=-2.9) USER MOD Set 1.2: A 41 MET CE :methyl -151:sc= -3.18! (180deg=-3.97!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.659 K(o=-0.66,f=-1.3) USER MOD Single : A 25 GLN : amide:sc= -0.934 K(o=-0.93,f=-4.9!) USER MOD Single : A 28 THR OG1 : rot 76:sc= 0.0364 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -131:sc= 0.0671 (180deg=-1.48!) USER MOD Single : A 50 GLN : amide:sc= -2.08! C(o=-2.1!,f=-2.3!) USER MOD Single : A 54 LYS NZ :NH3+ 127:sc= 1.09 (180deg=-0.0711) USER MOD Single : A 55 GLN : amide:sc= -0.959 K(o=-0.96,f=-1.9) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 67 GLN : amide:sc= -5.68! C(o=-5.7!,f=-4.9!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -1.741 -13.338 -2.633 1.00 0.00 N ATOM 67 CA PRO A 8 -1.546 -12.400 -3.743 1.00 0.00 C ATOM 68 C PRO A 8 -0.664 -11.219 -3.355 1.00 0.00 C ATOM 69 O PRO A 8 -0.508 -10.907 -2.175 1.00 0.00 O ATOM 70 CB PRO A 8 -2.966 -11.925 -4.060 1.00 0.00 C ATOM 71 CG PRO A 8 -3.719 -12.104 -2.787 1.00 0.00 C ATOM 72 CD PRO A 8 -3.120 -13.311 -2.118 1.00 0.00 C ATOM 0 HA PRO A 8 -1.040 -12.868 -4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.973 -10.883 -4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.408 -12.510 -4.867 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.629 -11.222 -2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.782 -12.252 -2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.142 -13.220 -1.032 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.662 -14.222 -2.373 1.00 0.00 H new ATOM 80 N LYS A 9 -0.088 -10.563 -4.358 1.00 0.00 N ATOM 81 CA LYS A 9 0.779 -9.414 -4.122 1.00 0.00 C ATOM 82 C LYS A 9 -0.043 -8.141 -3.944 1.00 0.00 C ATOM 83 O LYS A 9 -0.542 -7.573 -4.914 1.00 0.00 O ATOM 84 CB LYS A 9 1.759 -9.242 -5.285 1.00 0.00 C ATOM 85 CG LYS A 9 2.900 -8.286 -4.982 1.00 0.00 C ATOM 86 CD LYS A 9 3.792 -8.081 -6.195 1.00 0.00 C ATOM 87 CE LYS A 9 3.251 -6.989 -7.106 1.00 0.00 C ATOM 88 NZ LYS A 9 4.073 -6.838 -8.339 1.00 0.00 N ATOM 0 H LYS A 9 -0.206 -10.807 -5.341 1.00 0.00 H new ATOM 0 HA LYS A 9 1.340 -9.595 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.172 -10.216 -5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.215 -8.880 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.496 -7.326 -4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.493 -8.676 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.798 -7.818 -5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.871 -9.015 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.222 -7.222 -7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.230 -6.043 -6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.672 -6.085 -8.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.049 -6.591 -8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.073 -7.733 -8.868 1.00 0.00 H new ATOM 102 N ALA A 10 -0.177 -7.699 -2.697 1.00 0.00 N ATOM 103 CA ALA A 10 -0.934 -6.491 -2.393 1.00 0.00 C ATOM 104 C ALA A 10 -0.427 -5.306 -3.207 1.00 0.00 C ATOM 105 O ALA A 10 0.674 -4.799 -2.992 1.00 0.00 O ATOM 106 CB ALA A 10 -0.860 -6.183 -0.905 1.00 0.00 C ATOM 0 H ALA A 10 0.229 -8.159 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.975 -6.666 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.430 -5.278 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.277 -7.016 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.180 -6.033 -0.616 1.00 0.00 H new ATOM 112 N PRO A 11 -1.248 -4.851 -4.165 1.00 0.00 N ATOM 113 CA PRO A 11 -0.904 -3.719 -5.031 1.00 0.00 C ATOM 114 C PRO A 11 -0.892 -2.394 -4.276 1.00 0.00 C ATOM 115 O PRO A 11 -1.471 -2.279 -3.195 1.00 0.00 O ATOM 116 CB PRO A 11 -2.016 -3.725 -6.083 1.00 0.00 C ATOM 117 CG PRO A 11 -3.169 -4.387 -5.411 1.00 0.00 C ATOM 118 CD PRO A 11 -2.576 -5.406 -4.477 1.00 0.00 C ATOM 0 HA PRO A 11 0.098 -3.817 -5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.269 -2.712 -6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.713 -4.270 -6.977 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.771 -3.661 -4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.825 -4.862 -6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.181 -5.528 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.501 -6.387 -4.947 1.00 0.00 H new ATOM 126 N VAL A 12 -0.230 -1.396 -4.851 1.00 0.00 N ATOM 127 CA VAL A 12 -0.144 -0.078 -4.233 1.00 0.00 C ATOM 128 C VAL A 12 -1.518 0.579 -4.149 1.00 0.00 C ATOM 129 O VAL A 12 -2.431 0.235 -4.901 1.00 0.00 O ATOM 130 CB VAL A 12 0.809 0.847 -5.012 1.00 0.00 C ATOM 131 CG1 VAL A 12 2.217 0.270 -5.030 1.00 0.00 C ATOM 132 CG2 VAL A 12 0.297 1.068 -6.428 1.00 0.00 C ATOM 0 H VAL A 12 0.255 -1.475 -5.745 1.00 0.00 H new ATOM 0 HA VAL A 12 0.248 -0.225 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 12 0.844 1.812 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.877 0.937 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.581 0.167 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.203 -0.708 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.982 1.724 -6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.232 0.111 -6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.690 1.528 -6.390 1.00 0.00 H new ATOM 142 N THR A 13 -1.657 1.531 -3.231 1.00 0.00 N ATOM 143 CA THR A 13 -2.919 2.238 -3.049 1.00 0.00 C ATOM 144 C THR A 13 -2.960 3.512 -3.882 1.00 0.00 C ATOM 145 O THR A 13 -1.922 4.092 -4.199 1.00 0.00 O ATOM 146 CB THR A 13 -3.152 2.597 -1.569 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.103 3.451 -1.101 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.211 1.342 -0.710 1.00 0.00 C ATOM 0 H THR A 13 -0.911 1.830 -2.602 1.00 0.00 H new ATOM 0 HA THR A 13 -3.710 1.565 -3.381 1.00 0.00 H new ATOM 0 HB THR A 13 -4.107 3.117 -1.491 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.260 3.676 -0.160 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.376 1.621 0.331 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.029 0.707 -1.050 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.270 0.798 -0.795 1.00 0.00 H new ATOM 156 N GLY A 14 -4.167 3.947 -4.233 1.00 0.00 N ATOM 157 CA GLY A 14 -4.321 5.151 -5.027 1.00 0.00 C ATOM 158 C GLY A 14 -3.272 6.197 -4.702 1.00 0.00 C ATOM 159 O GLY A 14 -2.745 6.856 -5.599 1.00 0.00 O ATOM 0 H GLY A 14 -5.041 3.486 -3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.260 4.895 -6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.313 5.570 -4.857 1.00 0.00 H new ATOM 163 N TYR A 15 -2.968 6.349 -3.419 1.00 0.00 N ATOM 164 CA TYR A 15 -1.977 7.325 -2.978 1.00 0.00 C ATOM 165 C TYR A 15 -0.598 6.991 -3.538 1.00 0.00 C ATOM 166 O TYR A 15 -0.056 7.725 -4.364 1.00 0.00 O ATOM 167 CB TYR A 15 -1.923 7.373 -1.451 1.00 0.00 C ATOM 168 CG TYR A 15 -0.795 8.224 -0.911 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.575 9.508 -1.396 1.00 0.00 C ATOM 170 CD2 TYR A 15 0.049 7.744 0.082 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.454 10.288 -0.907 1.00 0.00 C ATOM 172 CE2 TYR A 15 1.080 8.519 0.579 1.00 0.00 C ATOM 173 CZ TYR A 15 1.279 9.790 0.081 1.00 0.00 C ATOM 174 OH TYR A 15 2.304 10.566 0.571 1.00 0.00 O ATOM 0 H TYR A 15 -3.393 5.809 -2.665 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.274 8.304 -3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.870 7.759 -1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.817 6.358 -1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.219 9.902 -2.168 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.103 6.749 0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.613 11.283 -1.296 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.726 8.132 1.353 1.00 0.00 H new ATOM 0 HH TYR A 15 2.789 10.069 1.262 1.00 0.00 H new ATOM 184 N VAL A 16 -0.035 5.877 -3.081 1.00 0.00 N ATOM 185 CA VAL A 16 1.281 5.443 -3.536 1.00 0.00 C ATOM 186 C VAL A 16 1.333 5.351 -5.057 1.00 0.00 C ATOM 187 O VAL A 16 2.253 5.870 -5.690 1.00 0.00 O ATOM 188 CB VAL A 16 1.659 4.076 -2.936 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.965 3.573 -3.534 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.758 4.169 -1.421 1.00 0.00 C ATOM 0 H VAL A 16 -0.469 5.259 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 16 1.997 6.191 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 16 0.875 3.360 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.216 2.606 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.854 3.467 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.762 4.285 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.026 3.194 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.522 4.898 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.797 4.482 -1.012 1.00 0.00 H new ATOM 200 N ARG A 17 0.341 4.686 -5.638 1.00 0.00 N ATOM 201 CA ARG A 17 0.274 4.524 -7.086 1.00 0.00 C ATOM 202 C ARG A 17 0.813 5.762 -7.796 1.00 0.00 C ATOM 203 O ARG A 17 1.772 5.683 -8.563 1.00 0.00 O ATOM 204 CB ARG A 17 -1.167 4.257 -7.525 1.00 0.00 C ATOM 205 CG ARG A 17 -1.279 3.657 -8.916 1.00 0.00 C ATOM 206 CD ARG A 17 -2.709 3.253 -9.236 1.00 0.00 C ATOM 207 NE ARG A 17 -2.993 1.878 -8.832 1.00 0.00 N ATOM 208 CZ ARG A 17 -2.463 0.814 -9.424 1.00 0.00 C ATOM 209 NH1 ARG A 17 -1.625 0.966 -10.441 1.00 0.00 N ATOM 210 NH2 ARG A 17 -2.770 -0.405 -8.999 1.00 0.00 N ATOM 0 H ARG A 17 -0.428 4.250 -5.129 1.00 0.00 H new ATOM 0 HA ARG A 17 0.893 3.670 -7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.637 3.583 -6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.726 5.192 -7.496 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.930 4.379 -9.654 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.628 2.786 -8.991 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.398 3.929 -8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.885 3.360 -10.306 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.633 1.727 -8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.386 1.902 -10.770 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.219 0.147 -10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.414 -0.525 -8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.362 -1.222 -9.454 1.00 0.00 H new ATOM 224 N PHE A 18 0.187 6.906 -7.537 1.00 0.00 N ATOM 225 CA PHE A 18 0.602 8.162 -8.153 1.00 0.00 C ATOM 226 C PHE A 18 2.055 8.479 -7.813 1.00 0.00 C ATOM 227 O PHE A 18 2.828 8.902 -8.674 1.00 0.00 O ATOM 228 CB PHE A 18 -0.303 9.305 -7.689 1.00 0.00 C ATOM 229 CG PHE A 18 0.371 10.647 -7.706 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.234 11.016 -6.687 1.00 0.00 C ATOM 231 CD2 PHE A 18 0.141 11.540 -8.740 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.856 12.250 -6.699 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.760 12.775 -8.758 1.00 0.00 C ATOM 234 CZ PHE A 18 1.618 13.131 -7.736 1.00 0.00 C ATOM 0 H PHE A 18 -0.609 6.989 -6.905 1.00 0.00 H new ATOM 0 HA PHE A 18 0.515 8.055 -9.234 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.185 9.342 -8.328 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.651 9.095 -6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.423 10.331 -5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.530 11.268 -9.541 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.527 12.525 -5.899 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.573 13.461 -9.571 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.102 14.096 -7.748 1.00 0.00 H new ATOM 244 N LEU A 19 2.421 8.273 -6.552 1.00 0.00 N ATOM 245 CA LEU A 19 3.781 8.538 -6.097 1.00 0.00 C ATOM 246 C LEU A 19 4.793 7.738 -6.911 1.00 0.00 C ATOM 247 O LEU A 19 5.851 8.248 -7.278 1.00 0.00 O ATOM 248 CB LEU A 19 3.919 8.196 -4.613 1.00 0.00 C ATOM 249 CG LEU A 19 3.191 9.123 -3.639 1.00 0.00 C ATOM 250 CD1 LEU A 19 3.215 8.546 -2.233 1.00 0.00 C ATOM 251 CD2 LEU A 19 3.814 10.512 -3.659 1.00 0.00 C ATOM 0 H LEU A 19 1.795 7.923 -5.827 1.00 0.00 H new ATOM 0 HA LEU A 19 3.985 9.599 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.553 7.181 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.979 8.195 -4.358 1.00 0.00 H new ATOM 0 HG LEU A 19 2.152 9.208 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.692 9.220 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.722 7.574 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.248 8.430 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.284 11.159 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.862 10.445 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.743 10.928 -4.664 1.00 0.00 H new ATOM 263 N ASN A 20 4.459 6.483 -7.192 1.00 0.00 N ATOM 264 CA ASN A 20 5.339 5.613 -7.965 1.00 0.00 C ATOM 265 C ASN A 20 5.437 6.086 -9.411 1.00 0.00 C ATOM 266 O ASN A 20 6.529 6.337 -9.919 1.00 0.00 O ATOM 267 CB ASN A 20 4.829 4.171 -7.922 1.00 0.00 C ATOM 268 CG ASN A 20 5.065 3.514 -6.575 1.00 0.00 C ATOM 269 OD1 ASN A 20 5.516 4.159 -5.628 1.00 0.00 O ATOM 270 ND2 ASN A 20 4.760 2.225 -6.484 1.00 0.00 N ATOM 0 H ASN A 20 3.586 6.045 -6.897 1.00 0.00 H new ATOM 0 HA ASN A 20 6.333 5.654 -7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.763 4.159 -8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.326 3.590 -8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.897 1.729 -5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.389 1.730 -7.295 1.00 0.00 H new ATOM 277 N GLU A 21 4.288 6.206 -10.069 1.00 0.00 N ATOM 278 CA GLU A 21 4.246 6.649 -11.458 1.00 0.00 C ATOM 279 C GLU A 21 5.050 7.932 -11.645 1.00 0.00 C ATOM 280 O GLU A 21 5.842 8.050 -12.580 1.00 0.00 O ATOM 281 CB GLU A 21 2.798 6.872 -11.901 1.00 0.00 C ATOM 282 CG GLU A 21 2.633 6.979 -13.408 1.00 0.00 C ATOM 283 CD GLU A 21 1.202 6.753 -13.856 1.00 0.00 C ATOM 284 OE1 GLU A 21 0.304 7.456 -13.347 1.00 0.00 O ATOM 285 OE2 GLU A 21 0.980 5.873 -14.714 1.00 0.00 O ATOM 0 H GLU A 21 3.375 6.003 -9.663 1.00 0.00 H new ATOM 0 HA GLU A 21 4.692 5.869 -12.075 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.184 6.050 -11.534 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.421 7.783 -11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.961 7.965 -13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.281 6.249 -13.893 1.00 0.00 H new ATOM 292 N ARG A 22 4.840 8.891 -10.749 1.00 0.00 N ATOM 293 CA ARG A 22 5.543 10.166 -10.815 1.00 0.00 C ATOM 294 C ARG A 22 7.003 10.003 -10.401 1.00 0.00 C ATOM 295 O ARG A 22 7.901 10.572 -11.022 1.00 0.00 O ATOM 296 CB ARG A 22 4.859 11.197 -9.915 1.00 0.00 C ATOM 297 CG ARG A 22 3.642 11.848 -10.551 1.00 0.00 C ATOM 298 CD ARG A 22 4.029 13.062 -11.382 1.00 0.00 C ATOM 299 NE ARG A 22 4.653 14.103 -10.571 1.00 0.00 N ATOM 300 CZ ARG A 22 4.805 15.359 -10.977 1.00 0.00 C ATOM 301 NH1 ARG A 22 4.381 15.726 -12.178 1.00 0.00 N ATOM 302 NH2 ARG A 22 5.384 16.249 -10.181 1.00 0.00 N ATOM 0 H ARG A 22 4.188 8.809 -9.969 1.00 0.00 H new ATOM 0 HA ARG A 22 5.512 10.517 -11.847 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.558 10.713 -8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.579 11.972 -9.652 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.128 11.123 -11.182 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.940 12.147 -9.773 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.716 12.757 -12.172 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.142 13.465 -11.870 1.00 0.00 H new ATOM 0 HE ARG A 22 4.991 13.853 -9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.937 15.044 -12.793 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.499 16.691 -12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.713 15.969 -9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.500 17.213 -10.493 1.00 0.00 H new ATOM 316 N ARG A 23 7.232 9.224 -9.349 1.00 0.00 N ATOM 317 CA ARG A 23 8.582 8.988 -8.852 1.00 0.00 C ATOM 318 C ARG A 23 9.587 8.960 -10.000 1.00 0.00 C ATOM 319 O ARG A 23 10.575 9.693 -9.989 1.00 0.00 O ATOM 320 CB ARG A 23 8.640 7.670 -8.077 1.00 0.00 C ATOM 321 CG ARG A 23 10.035 7.311 -7.591 1.00 0.00 C ATOM 322 CD ARG A 23 10.780 6.468 -8.614 1.00 0.00 C ATOM 323 NE ARG A 23 10.166 5.155 -8.793 1.00 0.00 N ATOM 324 CZ ARG A 23 10.793 4.118 -9.335 1.00 0.00 C ATOM 325 NH1 ARG A 23 12.047 4.240 -9.748 1.00 0.00 N ATOM 326 NH2 ARG A 23 10.168 2.954 -9.464 1.00 0.00 N ATOM 0 H ARG A 23 6.500 8.745 -8.824 1.00 0.00 H new ATOM 0 HA ARG A 23 8.844 9.807 -8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.970 7.733 -7.219 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.268 6.867 -8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.598 8.223 -7.390 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.965 6.766 -6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.800 6.992 -9.570 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.815 6.344 -8.296 1.00 0.00 H new ATOM 0 HE ARG A 23 9.202 5.028 -8.485 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.532 5.132 -9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.527 3.442 -10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.204 2.855 -9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.652 2.159 -9.881 1.00 0.00 H new ATOM 340 N GLU A 24 9.326 8.110 -10.988 1.00 0.00 N ATOM 341 CA GLU A 24 10.209 7.987 -12.141 1.00 0.00 C ATOM 342 C GLU A 24 10.485 9.352 -12.763 1.00 0.00 C ATOM 343 O GLU A 24 11.628 9.684 -13.074 1.00 0.00 O ATOM 344 CB GLU A 24 9.592 7.054 -13.186 1.00 0.00 C ATOM 345 CG GLU A 24 10.319 7.069 -14.520 1.00 0.00 C ATOM 346 CD GLU A 24 9.697 6.129 -15.534 1.00 0.00 C ATOM 347 OE1 GLU A 24 8.471 5.898 -15.456 1.00 0.00 O ATOM 348 OE2 GLU A 24 10.434 5.624 -16.406 1.00 0.00 O ATOM 0 H GLU A 24 8.511 7.497 -11.013 1.00 0.00 H new ATOM 0 HA GLU A 24 11.154 7.565 -11.799 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.588 6.036 -12.795 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.552 7.338 -13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.315 8.083 -14.920 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.362 6.791 -14.365 1.00 0.00 H new ATOM 355 N GLN A 25 9.428 10.139 -12.943 1.00 0.00 N ATOM 356 CA GLN A 25 9.557 11.468 -13.530 1.00 0.00 C ATOM 357 C GLN A 25 10.604 12.292 -12.787 1.00 0.00 C ATOM 358 O GLN A 25 11.437 12.957 -13.405 1.00 0.00 O ATOM 359 CB GLN A 25 8.210 12.192 -13.505 1.00 0.00 C ATOM 360 CG GLN A 25 7.130 11.498 -14.320 1.00 0.00 C ATOM 361 CD GLN A 25 7.353 11.628 -15.813 1.00 0.00 C ATOM 362 OE1 GLN A 25 8.465 11.441 -16.306 1.00 0.00 O ATOM 363 NE2 GLN A 25 6.291 11.952 -16.544 1.00 0.00 N ATOM 0 H GLN A 25 8.474 9.879 -12.691 1.00 0.00 H new ATOM 0 HA GLN A 25 9.880 11.351 -14.564 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.874 12.280 -12.472 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.345 13.205 -13.884 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.100 10.442 -14.051 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.158 11.920 -14.063 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.387 12.098 -16.094 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.380 12.055 -17.555 1.00 0.00 H new ATOM 372 N ILE A 26 10.557 12.243 -11.460 1.00 0.00 N ATOM 373 CA ILE A 26 11.502 12.984 -10.635 1.00 0.00 C ATOM 374 C ILE A 26 12.932 12.508 -10.874 1.00 0.00 C ATOM 375 O ILE A 26 13.785 13.276 -11.321 1.00 0.00 O ATOM 376 CB ILE A 26 11.171 12.844 -9.137 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.701 13.183 -8.883 1.00 0.00 C ATOM 378 CG2 ILE A 26 12.078 13.743 -8.309 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.345 14.614 -9.220 1.00 0.00 C ATOM 0 H ILE A 26 9.874 11.698 -10.934 1.00 0.00 H new ATOM 0 HA ILE A 26 11.417 14.032 -10.922 1.00 0.00 H new ATOM 0 HB ILE A 26 11.343 11.810 -8.837 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.075 12.513 -9.472 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.469 12.997 -7.834 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.833 13.634 -7.253 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.118 13.459 -8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.934 14.781 -8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.288 14.784 -9.016 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.945 15.291 -8.612 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.545 14.800 -10.275 1.00 0.00 H new ATOM 391 N ARG A 27 13.185 11.238 -10.576 1.00 0.00 N ATOM 392 CA ARG A 27 14.511 10.660 -10.759 1.00 0.00 C ATOM 393 C ARG A 27 15.203 11.263 -11.979 1.00 0.00 C ATOM 394 O ARG A 27 16.360 11.677 -11.909 1.00 0.00 O ATOM 395 CB ARG A 27 14.412 9.142 -10.914 1.00 0.00 C ATOM 396 CG ARG A 27 14.271 8.403 -9.593 1.00 0.00 C ATOM 397 CD ARG A 27 15.610 8.267 -8.885 1.00 0.00 C ATOM 398 NE ARG A 27 16.568 7.495 -9.672 1.00 0.00 N ATOM 399 CZ ARG A 27 16.541 6.170 -9.770 1.00 0.00 C ATOM 400 NH1 ARG A 27 15.608 5.474 -9.134 1.00 0.00 N ATOM 401 NH2 ARG A 27 17.448 5.539 -10.504 1.00 0.00 N ATOM 0 H ARG A 27 12.489 10.590 -10.207 1.00 0.00 H new ATOM 0 HA ARG A 27 15.105 10.890 -9.875 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.557 8.905 -11.546 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.301 8.779 -11.431 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.571 8.936 -8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.850 7.413 -9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.018 9.258 -8.687 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.462 7.785 -7.919 1.00 0.00 H new ATOM 0 HE ARG A 27 17.298 8.001 -10.174 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.909 5.956 -8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.589 4.457 -9.211 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.167 6.071 -10.994 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.426 4.522 -10.578 1.00 0.00 H new ATOM 415 N THR A 28 14.486 11.308 -13.097 1.00 0.00 N ATOM 416 CA THR A 28 15.030 11.858 -14.332 1.00 0.00 C ATOM 417 C THR A 28 15.528 13.283 -14.128 1.00 0.00 C ATOM 418 O THR A 28 16.610 13.645 -14.589 1.00 0.00 O ATOM 419 CB THR A 28 13.981 11.848 -15.461 1.00 0.00 C ATOM 420 OG1 THR A 28 13.465 10.525 -15.639 1.00 0.00 O ATOM 421 CG2 THR A 28 14.588 12.342 -16.766 1.00 0.00 C ATOM 0 H THR A 28 13.527 10.970 -13.173 1.00 0.00 H new ATOM 0 HA THR A 28 15.868 11.222 -14.619 1.00 0.00 H new ATOM 0 HB THR A 28 13.169 12.518 -15.179 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.841 10.317 -14.912 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.830 12.326 -17.549 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.953 13.361 -16.635 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.416 11.693 -17.050 1.00 0.00 H new ATOM 429 N ARG A 29 14.731 14.089 -13.433 1.00 0.00 N ATOM 430 CA ARG A 29 15.090 15.477 -13.168 1.00 0.00 C ATOM 431 C ARG A 29 16.112 15.567 -12.038 1.00 0.00 C ATOM 432 O ARG A 29 17.203 16.109 -12.214 1.00 0.00 O ATOM 433 CB ARG A 29 13.845 16.290 -12.810 1.00 0.00 C ATOM 434 CG ARG A 29 13.045 16.743 -14.021 1.00 0.00 C ATOM 435 CD ARG A 29 11.571 16.903 -13.686 1.00 0.00 C ATOM 436 NE ARG A 29 11.273 18.222 -13.137 1.00 0.00 N ATOM 437 CZ ARG A 29 10.163 18.507 -12.467 1.00 0.00 C ATOM 438 NH1 ARG A 29 9.249 17.568 -12.262 1.00 0.00 N ATOM 439 NH2 ARG A 29 9.965 19.732 -11.997 1.00 0.00 N ATOM 0 H ARG A 29 13.832 13.804 -13.043 1.00 0.00 H new ATOM 0 HA ARG A 29 15.536 15.890 -14.073 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.203 15.691 -12.164 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.146 17.166 -12.235 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.441 17.690 -14.387 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.160 16.018 -14.826 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.976 16.742 -14.585 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.278 16.137 -12.968 1.00 0.00 H new ATOM 0 HE ARG A 29 11.956 18.967 -13.276 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.398 16.624 -12.619 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.397 17.789 -11.747 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.666 20.457 -12.150 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.111 19.949 -11.482 1.00 0.00 H new ATOM 453 N HIS A 30 15.750 15.031 -10.875 1.00 0.00 N ATOM 454 CA HIS A 30 16.635 15.050 -9.717 1.00 0.00 C ATOM 455 C HIS A 30 17.203 13.662 -9.442 1.00 0.00 C ATOM 456 O HIS A 30 16.797 12.971 -8.507 1.00 0.00 O ATOM 457 CB HIS A 30 15.885 15.560 -8.485 1.00 0.00 C ATOM 458 CG HIS A 30 15.167 16.854 -8.714 1.00 0.00 C ATOM 459 ND1 HIS A 30 15.810 18.073 -8.771 1.00 0.00 N ATOM 460 CD2 HIS A 30 13.852 17.115 -8.902 1.00 0.00 C ATOM 461 CE1 HIS A 30 14.923 19.027 -8.983 1.00 0.00 C ATOM 462 NE2 HIS A 30 13.726 18.473 -9.067 1.00 0.00 N ATOM 0 H HIS A 30 14.850 14.579 -10.711 1.00 0.00 H new ATOM 0 HA HIS A 30 17.463 15.724 -9.935 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.165 14.805 -8.170 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.593 15.687 -7.666 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.051 16.391 -8.919 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.139 20.081 -9.073 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.851 18.972 -9.228 1.00 0.00 H new ATOM 471 N PRO A 31 18.164 13.240 -10.277 1.00 0.00 N ATOM 472 CA PRO A 31 18.807 11.929 -10.145 1.00 0.00 C ATOM 473 C PRO A 31 19.704 11.844 -8.914 1.00 0.00 C ATOM 474 O PRO A 31 20.293 10.801 -8.634 1.00 0.00 O ATOM 475 CB PRO A 31 19.643 11.814 -11.422 1.00 0.00 C ATOM 476 CG PRO A 31 19.909 13.222 -11.830 1.00 0.00 C ATOM 477 CD PRO A 31 18.698 14.010 -11.414 1.00 0.00 C ATOM 0 HA PRO A 31 18.078 11.129 -10.022 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.571 11.273 -11.240 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.105 11.272 -12.200 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.808 13.605 -11.347 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.070 13.293 -12.906 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.961 15.027 -11.123 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.972 14.088 -12.223 1.00 0.00 H new ATOM 485 N ASP A 32 19.800 12.949 -8.181 1.00 0.00 N ATOM 486 CA ASP A 32 20.623 12.999 -6.978 1.00 0.00 C ATOM 487 C ASP A 32 19.765 12.844 -5.726 1.00 0.00 C ATOM 488 O ASP A 32 20.251 12.425 -4.675 1.00 0.00 O ATOM 489 CB ASP A 32 21.399 14.315 -6.920 1.00 0.00 C ATOM 490 CG ASP A 32 22.389 14.454 -8.061 1.00 0.00 C ATOM 491 OD1 ASP A 32 23.386 13.703 -8.077 1.00 0.00 O ATOM 492 OD2 ASP A 32 22.165 15.314 -8.938 1.00 0.00 O ATOM 0 H ASP A 32 19.318 13.821 -8.399 1.00 0.00 H new ATOM 0 HA ASP A 32 21.330 12.171 -7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.697 15.149 -6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 32 21.931 14.378 -5.971 1.00 0.00 H new ATOM 497 N LEU A 33 18.486 13.187 -5.846 1.00 0.00 N ATOM 498 CA LEU A 33 17.560 13.088 -4.723 1.00 0.00 C ATOM 499 C LEU A 33 17.317 11.629 -4.345 1.00 0.00 C ATOM 500 O LEU A 33 16.918 10.807 -5.170 1.00 0.00 O ATOM 501 CB LEU A 33 16.233 13.764 -5.070 1.00 0.00 C ATOM 502 CG LEU A 33 16.182 15.280 -4.876 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.743 15.773 -4.895 1.00 0.00 C ATOM 504 CD2 LEU A 33 16.865 15.674 -3.574 1.00 0.00 C ATOM 0 H LEU A 33 18.068 13.536 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 33 18.007 13.596 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.997 13.543 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.449 13.313 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 33 16.717 15.751 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.727 16.854 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.286 15.524 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.184 15.295 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.819 16.756 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.358 15.193 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.907 15.355 -3.599 1.00 0.00 H new ATOM 516 N PRO A 34 17.561 11.300 -3.068 1.00 0.00 N ATOM 517 CA PRO A 34 17.372 9.942 -2.551 1.00 0.00 C ATOM 518 C PRO A 34 15.901 9.550 -2.474 1.00 0.00 C ATOM 519 O PRO A 34 15.046 10.184 -3.092 1.00 0.00 O ATOM 520 CB PRO A 34 17.983 10.008 -1.148 1.00 0.00 C ATOM 521 CG PRO A 34 17.881 11.443 -0.759 1.00 0.00 C ATOM 522 CD PRO A 34 18.039 12.229 -2.030 1.00 0.00 C ATOM 0 HA PRO A 34 17.831 9.193 -3.196 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.442 9.369 -0.450 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.020 9.671 -1.151 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.921 11.652 -0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.654 11.708 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.451 13.147 -2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.076 12.519 -2.197 1.00 0.00 H new ATOM 530 N PHE A 35 15.612 8.501 -1.710 1.00 0.00 N ATOM 531 CA PHE A 35 14.243 8.024 -1.553 1.00 0.00 C ATOM 532 C PHE A 35 13.429 8.983 -0.689 1.00 0.00 C ATOM 533 O PHE A 35 12.406 9.523 -1.113 1.00 0.00 O ATOM 534 CB PHE A 35 14.236 6.627 -0.927 1.00 0.00 C ATOM 535 CG PHE A 35 13.042 6.367 -0.053 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.769 6.714 -0.476 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.194 5.778 1.191 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.670 6.477 0.328 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.099 5.538 1.999 1.00 0.00 C ATOM 540 CZ PHE A 35 10.834 5.887 1.566 1.00 0.00 C ATOM 0 H PHE A 35 16.307 7.966 -1.190 1.00 0.00 H new ATOM 0 HA PHE A 35 13.786 7.975 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.264 5.881 -1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.143 6.498 -0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.634 7.174 -1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.180 5.503 1.534 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.683 6.753 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.232 5.078 2.967 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.976 5.699 2.194 1.00 0.00 H new ATOM 550 N PRO A 36 13.892 9.202 0.550 1.00 0.00 N ATOM 551 CA PRO A 36 13.222 10.096 1.499 1.00 0.00 C ATOM 552 C PRO A 36 13.337 11.561 1.094 1.00 0.00 C ATOM 553 O PRO A 36 13.160 12.458 1.918 1.00 0.00 O ATOM 554 CB PRO A 36 13.970 9.845 2.811 1.00 0.00 C ATOM 555 CG PRO A 36 15.317 9.364 2.394 1.00 0.00 C ATOM 556 CD PRO A 36 15.105 8.591 1.121 1.00 0.00 C ATOM 0 HA PRO A 36 12.151 9.900 1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.042 10.755 3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.457 9.103 3.423 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.998 10.200 2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.762 8.734 3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.957 8.684 0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.966 7.527 1.315 1.00 0.00 H new ATOM 564 N GLU A 37 13.631 11.797 -0.182 1.00 0.00 N ATOM 565 CA GLU A 37 13.768 13.155 -0.695 1.00 0.00 C ATOM 566 C GLU A 37 12.873 13.369 -1.911 1.00 0.00 C ATOM 567 O GLU A 37 12.451 14.491 -2.194 1.00 0.00 O ATOM 568 CB GLU A 37 15.226 13.439 -1.064 1.00 0.00 C ATOM 569 CG GLU A 37 16.088 13.835 0.122 1.00 0.00 C ATOM 570 CD GLU A 37 15.974 15.310 0.459 1.00 0.00 C ATOM 571 OE1 GLU A 37 16.667 16.122 -0.190 1.00 0.00 O ATOM 572 OE2 GLU A 37 15.194 15.651 1.371 1.00 0.00 O ATOM 0 H GLU A 37 13.779 11.066 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 37 13.458 13.846 0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.653 12.552 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.255 14.237 -1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.798 13.244 0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.129 13.595 -0.094 1.00 0.00 H new ATOM 579 N ILE A 38 12.587 12.287 -2.627 1.00 0.00 N ATOM 580 CA ILE A 38 11.740 12.356 -3.812 1.00 0.00 C ATOM 581 C ILE A 38 10.264 12.284 -3.438 1.00 0.00 C ATOM 582 O ILE A 38 9.438 13.019 -3.981 1.00 0.00 O ATOM 583 CB ILE A 38 12.065 11.222 -4.802 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.483 11.387 -5.353 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.049 11.201 -5.935 1.00 0.00 C ATOM 586 CD1 ILE A 38 13.988 10.169 -6.096 1.00 0.00 C ATOM 0 H ILE A 38 12.929 11.352 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 38 11.943 13.314 -4.291 1.00 0.00 H new ATOM 0 HB ILE A 38 12.010 10.271 -4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.506 12.247 -6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.161 11.607 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.292 10.394 -6.627 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.051 11.040 -5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.075 12.153 -6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.999 10.357 -6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.997 9.311 -5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.332 9.961 -6.941 1.00 0.00 H new ATOM 598 N THR A 39 9.938 11.394 -2.506 1.00 0.00 N ATOM 599 CA THR A 39 8.561 11.225 -2.059 1.00 0.00 C ATOM 600 C THR A 39 8.044 12.489 -1.383 1.00 0.00 C ATOM 601 O THR A 39 6.931 12.940 -1.652 1.00 0.00 O ATOM 602 CB THR A 39 8.429 10.042 -1.081 1.00 0.00 C ATOM 603 OG1 THR A 39 8.629 8.807 -1.777 1.00 0.00 O ATOM 604 CG2 THR A 39 7.061 10.039 -0.418 1.00 0.00 C ATOM 0 H THR A 39 10.609 10.779 -2.046 1.00 0.00 H new ATOM 0 HA THR A 39 7.963 11.021 -2.947 1.00 0.00 H new ATOM 0 HB THR A 39 9.190 10.151 -0.308 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.545 8.060 -1.148 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.991 9.195 0.268 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.922 10.968 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.287 9.952 -1.181 1.00 0.00 H new ATOM 612 N LYS A 40 8.860 13.059 -0.502 1.00 0.00 N ATOM 613 CA LYS A 40 8.486 14.273 0.213 1.00 0.00 C ATOM 614 C LYS A 40 8.072 15.373 -0.760 1.00 0.00 C ATOM 615 O LYS A 40 7.232 16.213 -0.440 1.00 0.00 O ATOM 616 CB LYS A 40 9.651 14.758 1.080 1.00 0.00 C ATOM 617 CG LYS A 40 10.836 15.266 0.277 1.00 0.00 C ATOM 618 CD LYS A 40 11.705 16.204 1.098 1.00 0.00 C ATOM 619 CE LYS A 40 11.018 17.542 1.328 1.00 0.00 C ATOM 620 NZ LYS A 40 12.001 18.646 1.505 1.00 0.00 N ATOM 0 H LYS A 40 9.785 12.699 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 40 7.636 14.039 0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.298 15.555 1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.981 13.941 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.434 14.421 -0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.478 15.785 -0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.935 15.742 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.654 16.364 0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.368 17.767 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.382 17.477 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.494 19.541 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.605 18.444 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.591 18.725 0.652 1.00 0.00 H new ATOM 634 N MET A 41 8.665 15.357 -1.949 1.00 0.00 N ATOM 635 CA MET A 41 8.354 16.352 -2.970 1.00 0.00 C ATOM 636 C MET A 41 6.996 16.071 -3.606 1.00 0.00 C ATOM 637 O MET A 41 6.188 16.981 -3.794 1.00 0.00 O ATOM 638 CB MET A 41 9.441 16.367 -4.045 1.00 0.00 C ATOM 639 CG MET A 41 10.714 17.074 -3.613 1.00 0.00 C ATOM 640 SD MET A 41 11.629 17.772 -5.001 1.00 0.00 S ATOM 641 CE MET A 41 11.887 16.311 -6.004 1.00 0.00 C ATOM 0 H MET A 41 9.362 14.668 -2.230 1.00 0.00 H new ATOM 0 HA MET A 41 8.315 17.330 -2.490 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.681 15.340 -4.321 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.050 16.854 -4.938 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.462 17.870 -2.912 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.353 16.370 -3.080 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.808 16.421 -6.577 1.00 0.00 H new ATOM 0 HE2 MET A 41 11.964 15.436 -5.359 1.00 0.00 H new ATOM 0 HE3 MET A 41 11.047 16.186 -6.687 1.00 0.00 H new ATOM 651 N LEU A 42 6.752 14.808 -3.936 1.00 0.00 N ATOM 652 CA LEU A 42 5.492 14.408 -4.552 1.00 0.00 C ATOM 653 C LEU A 42 4.321 14.659 -3.609 1.00 0.00 C ATOM 654 O LEU A 42 3.289 15.195 -4.012 1.00 0.00 O ATOM 655 CB LEU A 42 5.539 12.929 -4.943 1.00 0.00 C ATOM 656 CG LEU A 42 6.710 12.507 -5.832 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.697 11.002 -6.052 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.662 13.243 -7.162 1.00 0.00 C ATOM 0 H LEU A 42 7.410 14.043 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 42 5.348 15.010 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.568 12.333 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.611 12.680 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 42 7.639 12.772 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.537 10.720 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.781 10.493 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.764 10.713 -6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.503 12.930 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.728 13.010 -7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.721 14.317 -6.986 1.00 0.00 H new ATOM 670 N GLY A 43 4.488 14.269 -2.348 1.00 0.00 N ATOM 671 CA GLY A 43 3.438 14.462 -1.366 1.00 0.00 C ATOM 672 C GLY A 43 2.777 15.822 -1.483 1.00 0.00 C ATOM 673 O GLY A 43 1.554 15.919 -1.577 1.00 0.00 O ATOM 0 H GLY A 43 5.332 13.823 -1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.684 13.684 -1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.855 14.349 -0.365 1.00 0.00 H new ATOM 677 N ALA A 44 3.588 16.875 -1.477 1.00 0.00 N ATOM 678 CA ALA A 44 3.075 18.234 -1.584 1.00 0.00 C ATOM 679 C ALA A 44 2.117 18.369 -2.763 1.00 0.00 C ATOM 680 O ALA A 44 1.097 19.051 -2.671 1.00 0.00 O ATOM 681 CB ALA A 44 4.224 19.223 -1.720 1.00 0.00 C ATOM 0 H ALA A 44 4.603 16.812 -1.399 1.00 0.00 H new ATOM 0 HA ALA A 44 2.522 18.459 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.826 20.235 -1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.869 19.154 -0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.801 18.989 -2.615 1.00 0.00 H new ATOM 687 N GLU A 45 2.452 17.715 -3.871 1.00 0.00 N ATOM 688 CA GLU A 45 1.622 17.764 -5.068 1.00 0.00 C ATOM 689 C GLU A 45 0.286 17.066 -4.831 1.00 0.00 C ATOM 690 O GLU A 45 -0.770 17.587 -5.191 1.00 0.00 O ATOM 691 CB GLU A 45 2.348 17.112 -6.247 1.00 0.00 C ATOM 692 CG GLU A 45 3.752 17.650 -6.470 1.00 0.00 C ATOM 693 CD GLU A 45 3.776 18.845 -7.403 1.00 0.00 C ATOM 694 OE1 GLU A 45 2.985 19.786 -7.184 1.00 0.00 O ATOM 695 OE2 GLU A 45 4.586 18.838 -8.354 1.00 0.00 O ATOM 0 H GLU A 45 3.293 17.145 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 45 1.430 18.811 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.403 16.036 -6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.761 17.264 -7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.185 17.934 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.379 16.859 -6.882 1.00 0.00 H new ATOM 702 N TRP A 46 0.341 15.886 -4.225 1.00 0.00 N ATOM 703 CA TRP A 46 -0.865 15.116 -3.941 1.00 0.00 C ATOM 704 C TRP A 46 -1.863 15.945 -3.139 1.00 0.00 C ATOM 705 O TRP A 46 -3.075 15.797 -3.296 1.00 0.00 O ATOM 706 CB TRP A 46 -0.513 13.840 -3.176 1.00 0.00 C ATOM 707 CG TRP A 46 -1.713 13.062 -2.731 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.192 12.952 -1.457 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.586 12.285 -3.559 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.311 12.153 -1.443 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.573 11.731 -2.720 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.631 12.003 -4.927 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.590 10.915 -3.205 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.641 11.191 -5.407 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.610 10.655 -4.548 1.00 0.00 C ATOM 0 H TRP A 46 1.207 15.441 -3.921 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.325 14.845 -4.891 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.108 13.206 -3.809 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.085 14.102 -2.303 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.756 13.423 -0.588 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.858 11.913 -0.616 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.890 12.412 -5.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.338 10.501 -2.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.684 10.966 -6.462 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.387 10.025 -4.954 1.00 0.00 H new ATOM 726 N SER A 47 -1.346 16.816 -2.278 1.00 0.00 N ATOM 727 CA SER A 47 -2.193 17.665 -1.449 1.00 0.00 C ATOM 728 C SER A 47 -2.664 18.889 -2.228 1.00 0.00 C ATOM 729 O SER A 47 -3.699 19.479 -1.915 1.00 0.00 O ATOM 730 CB SER A 47 -1.436 18.105 -0.194 1.00 0.00 C ATOM 731 OG SER A 47 -2.333 18.484 0.835 1.00 0.00 O ATOM 0 H SER A 47 -0.345 16.952 -2.137 1.00 0.00 H new ATOM 0 HA SER A 47 -3.068 17.086 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.800 17.292 0.155 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.780 18.941 -0.435 1.00 0.00 H new ATOM 0 HG SER A 47 -1.825 18.760 1.627 1.00 0.00 H new ATOM 737 N LYS A 48 -1.897 19.267 -3.244 1.00 0.00 N ATOM 738 CA LYS A 48 -2.233 20.421 -4.071 1.00 0.00 C ATOM 739 C LYS A 48 -2.892 19.981 -5.375 1.00 0.00 C ATOM 740 O LYS A 48 -2.944 20.741 -6.342 1.00 0.00 O ATOM 741 CB LYS A 48 -0.979 21.242 -4.373 1.00 0.00 C ATOM 742 CG LYS A 48 -0.322 21.827 -3.135 1.00 0.00 C ATOM 743 CD LYS A 48 0.791 22.796 -3.499 1.00 0.00 C ATOM 744 CE LYS A 48 2.004 22.068 -4.055 1.00 0.00 C ATOM 745 NZ LYS A 48 1.896 21.851 -5.525 1.00 0.00 N ATOM 0 H LYS A 48 -1.037 18.791 -3.516 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.939 21.040 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.258 20.611 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.241 22.053 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.071 22.341 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.082 21.022 -2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.425 23.511 -4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.081 23.367 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.904 22.644 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.112 21.107 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.108 20.857 -5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.931 22.077 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.574 22.467 -6.018 1.00 0.00 H new ATOM 759 N LEU A 49 -3.395 18.752 -5.393 1.00 0.00 N ATOM 760 CA LEU A 49 -4.053 18.212 -6.578 1.00 0.00 C ATOM 761 C LEU A 49 -5.472 18.756 -6.709 1.00 0.00 C ATOM 762 O LEU A 49 -6.009 19.346 -5.772 1.00 0.00 O ATOM 763 CB LEU A 49 -4.084 16.684 -6.517 1.00 0.00 C ATOM 764 CG LEU A 49 -2.892 15.962 -7.147 1.00 0.00 C ATOM 765 CD1 LEU A 49 -3.028 14.457 -6.976 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.767 16.324 -8.620 1.00 0.00 C ATOM 0 H LEU A 49 -3.360 18.110 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.482 18.523 -7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.154 16.384 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.993 16.339 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.985 16.284 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.171 13.960 -7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.068 14.214 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.943 14.117 -7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.914 15.801 -9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.676 16.031 -9.145 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.622 17.400 -8.719 1.00 0.00 H new ATOM 778 N GLN A 50 -6.074 18.551 -7.876 1.00 0.00 N ATOM 779 CA GLN A 50 -7.431 19.020 -8.128 1.00 0.00 C ATOM 780 C GLN A 50 -8.458 18.018 -7.611 1.00 0.00 C ATOM 781 O GLN A 50 -8.161 16.842 -7.400 1.00 0.00 O ATOM 782 CB GLN A 50 -7.641 19.258 -9.625 1.00 0.00 C ATOM 783 CG GLN A 50 -7.244 20.652 -10.080 1.00 0.00 C ATOM 784 CD GLN A 50 -8.288 21.698 -9.740 1.00 0.00 C ATOM 785 OE1 GLN A 50 -9.333 21.781 -10.385 1.00 0.00 O ATOM 786 NE2 GLN A 50 -8.010 22.502 -8.721 1.00 0.00 N ATOM 0 H GLN A 50 -5.643 18.063 -8.662 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.568 19.961 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.063 18.523 -10.186 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.690 19.091 -9.867 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.297 20.925 -9.615 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.080 20.645 -11.158 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.131 22.398 -8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.675 23.224 -8.445 1.00 0.00 H new ATOM 795 N PRO A 51 -9.695 18.492 -7.402 1.00 0.00 N ATOM 796 CA PRO A 51 -10.792 17.654 -6.908 1.00 0.00 C ATOM 797 C PRO A 51 -11.252 16.632 -7.942 1.00 0.00 C ATOM 798 O PRO A 51 -12.193 15.876 -7.704 1.00 0.00 O ATOM 799 CB PRO A 51 -11.906 18.662 -6.617 1.00 0.00 C ATOM 800 CG PRO A 51 -11.616 19.814 -7.515 1.00 0.00 C ATOM 801 CD PRO A 51 -10.119 19.883 -7.632 1.00 0.00 C ATOM 0 HA PRO A 51 -10.496 17.065 -6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.888 18.237 -6.823 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.902 18.965 -5.570 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.077 19.672 -8.492 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.018 20.740 -7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.809 20.241 -8.614 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.689 20.561 -6.895 1.00 0.00 H new ATOM 809 N ALA A 52 -10.582 16.616 -9.089 1.00 0.00 N ATOM 810 CA ALA A 52 -10.922 15.686 -10.159 1.00 0.00 C ATOM 811 C ALA A 52 -9.813 14.660 -10.368 1.00 0.00 C ATOM 812 O ALA A 52 -10.081 13.487 -10.624 1.00 0.00 O ATOM 813 CB ALA A 52 -11.194 16.443 -11.450 1.00 0.00 C ATOM 0 H ALA A 52 -9.801 17.236 -9.301 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.826 15.151 -9.868 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.447 15.736 -12.240 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.026 17.131 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.305 17.005 -11.737 1.00 0.00 H new ATOM 819 N GLU A 53 -8.568 15.112 -10.258 1.00 0.00 N ATOM 820 CA GLU A 53 -7.418 14.233 -10.436 1.00 0.00 C ATOM 821 C GLU A 53 -7.210 13.353 -9.206 1.00 0.00 C ATOM 822 O GLU A 53 -7.152 12.128 -9.308 1.00 0.00 O ATOM 823 CB GLU A 53 -6.157 15.055 -10.709 1.00 0.00 C ATOM 824 CG GLU A 53 -6.311 16.045 -11.850 1.00 0.00 C ATOM 825 CD GLU A 53 -6.276 15.377 -13.211 1.00 0.00 C ATOM 826 OE1 GLU A 53 -6.653 14.190 -13.298 1.00 0.00 O ATOM 827 OE2 GLU A 53 -5.871 16.041 -14.189 1.00 0.00 O ATOM 0 H GLU A 53 -8.330 16.081 -10.047 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.615 13.589 -11.293 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.884 15.597 -9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.334 14.377 -10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.253 16.581 -11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.514 16.786 -11.793 1.00 0.00 H new ATOM 834 N LYS A 54 -7.098 13.988 -8.044 1.00 0.00 N ATOM 835 CA LYS A 54 -6.897 13.265 -6.794 1.00 0.00 C ATOM 836 C LYS A 54 -7.931 12.155 -6.635 1.00 0.00 C ATOM 837 O LYS A 54 -7.595 11.030 -6.265 1.00 0.00 O ATOM 838 CB LYS A 54 -6.978 14.227 -5.606 1.00 0.00 C ATOM 839 CG LYS A 54 -6.220 13.747 -4.381 1.00 0.00 C ATOM 840 CD LYS A 54 -6.864 14.243 -3.097 1.00 0.00 C ATOM 841 CE LYS A 54 -5.832 14.441 -1.997 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.274 15.821 -2.003 1.00 0.00 N ATOM 0 H LYS A 54 -7.143 15.002 -7.942 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.906 12.812 -6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.585 15.198 -5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.025 14.375 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.188 12.657 -4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.189 14.096 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.380 15.184 -3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.617 13.528 -2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.290 14.238 -1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.023 13.722 -2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.367 16.237 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.269 15.788 -2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.795 16.403 -2.689 1.00 0.00 H new ATOM 856 N GLN A 55 -9.188 12.479 -6.917 1.00 0.00 N ATOM 857 CA GLN A 55 -10.270 11.508 -6.804 1.00 0.00 C ATOM 858 C GLN A 55 -10.097 10.381 -7.816 1.00 0.00 C ATOM 859 O GLN A 55 -10.273 9.207 -7.490 1.00 0.00 O ATOM 860 CB GLN A 55 -11.623 12.194 -7.013 1.00 0.00 C ATOM 861 CG GLN A 55 -12.812 11.277 -6.773 1.00 0.00 C ATOM 862 CD GLN A 55 -12.728 10.546 -5.449 1.00 0.00 C ATOM 863 OE1 GLN A 55 -12.037 9.534 -5.327 1.00 0.00 O ATOM 864 NE2 GLN A 55 -13.434 11.056 -4.445 1.00 0.00 N ATOM 0 H GLN A 55 -9.483 13.406 -7.225 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.238 11.080 -5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.694 13.051 -6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.672 12.580 -8.031 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.730 11.864 -6.802 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.874 10.549 -7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.993 11.897 -4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.417 10.607 -3.529 1.00 0.00 H new ATOM 873 N ARG A 56 -9.752 10.745 -9.047 1.00 0.00 N ATOM 874 CA ARG A 56 -9.556 9.764 -10.108 1.00 0.00 C ATOM 875 C ARG A 56 -8.542 8.704 -9.689 1.00 0.00 C ATOM 876 O ARG A 56 -8.783 7.506 -9.838 1.00 0.00 O ATOM 877 CB ARG A 56 -9.087 10.455 -11.390 1.00 0.00 C ATOM 878 CG ARG A 56 -8.798 9.491 -12.530 1.00 0.00 C ATOM 879 CD ARG A 56 -8.296 10.224 -13.764 1.00 0.00 C ATOM 880 NE ARG A 56 -7.806 9.302 -14.785 1.00 0.00 N ATOM 881 CZ ARG A 56 -7.272 9.697 -15.936 1.00 0.00 C ATOM 882 NH1 ARG A 56 -7.161 10.989 -16.210 1.00 0.00 N ATOM 883 NH2 ARG A 56 -6.849 8.797 -16.816 1.00 0.00 N ATOM 0 H ARG A 56 -9.602 11.712 -9.334 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.511 9.274 -10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.850 11.165 -11.710 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.187 11.030 -11.174 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.054 8.761 -12.211 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.703 8.936 -12.778 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.102 10.830 -14.179 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.497 10.908 -13.479 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.877 8.301 -14.605 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.486 11.683 -15.537 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.751 11.289 -17.094 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.934 7.802 -16.609 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.439 9.101 -17.699 1.00 0.00 H new ATOM 897 N TYR A 57 -7.407 9.154 -9.164 1.00 0.00 N ATOM 898 CA TYR A 57 -6.356 8.245 -8.725 1.00 0.00 C ATOM 899 C TYR A 57 -6.899 7.218 -7.736 1.00 0.00 C ATOM 900 O TYR A 57 -6.597 6.028 -7.830 1.00 0.00 O ATOM 901 CB TYR A 57 -5.210 9.029 -8.084 1.00 0.00 C ATOM 902 CG TYR A 57 -4.251 9.630 -9.087 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.673 8.848 -10.080 1.00 0.00 C ATOM 904 CD2 TYR A 57 -3.924 10.980 -9.043 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.797 9.393 -10.998 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.049 11.534 -9.958 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.488 10.736 -10.933 1.00 0.00 C ATOM 908 OH TYR A 57 -1.616 11.283 -11.847 1.00 0.00 O ATOM 0 H TYR A 57 -7.192 10.142 -9.033 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.981 7.715 -9.601 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.626 9.827 -7.469 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.657 8.368 -7.417 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.913 7.796 -10.135 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.361 11.607 -8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.356 8.771 -11.763 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.806 12.585 -9.910 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.507 12.239 -11.663 1.00 0.00 H new ATOM 918 N LEU A 58 -7.704 7.688 -6.789 1.00 0.00 N ATOM 919 CA LEU A 58 -8.292 6.812 -5.781 1.00 0.00 C ATOM 920 C LEU A 58 -9.127 5.714 -6.434 1.00 0.00 C ATOM 921 O LEU A 58 -8.936 4.530 -6.161 1.00 0.00 O ATOM 922 CB LEU A 58 -9.159 7.623 -4.816 1.00 0.00 C ATOM 923 CG LEU A 58 -8.462 8.774 -4.092 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.469 9.603 -3.312 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.376 8.242 -3.168 1.00 0.00 C ATOM 0 H LEU A 58 -7.964 8.670 -6.698 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.481 6.343 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.004 8.029 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.567 6.944 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.995 9.417 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.953 10.418 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.210 10.014 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.967 8.972 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.890 9.075 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.821 7.577 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.638 7.693 -3.752 1.00 0.00 H new ATOM 937 N ASP A 59 -10.051 6.118 -7.300 1.00 0.00 N ATOM 938 CA ASP A 59 -10.913 5.168 -7.995 1.00 0.00 C ATOM 939 C ASP A 59 -10.085 4.170 -8.798 1.00 0.00 C ATOM 940 O ASP A 59 -10.297 2.961 -8.709 1.00 0.00 O ATOM 941 CB ASP A 59 -11.880 5.908 -8.921 1.00 0.00 C ATOM 942 CG ASP A 59 -13.130 5.103 -9.216 1.00 0.00 C ATOM 943 OD1 ASP A 59 -13.109 4.304 -10.175 1.00 0.00 O ATOM 944 OD2 ASP A 59 -14.129 5.271 -8.485 1.00 0.00 O ATOM 0 H ASP A 59 -10.222 7.095 -7.537 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.485 4.620 -7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.162 6.857 -8.464 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.374 6.143 -9.857 1.00 0.00 H new ATOM 949 N GLU A 60 -9.142 4.684 -9.581 1.00 0.00 N ATOM 950 CA GLU A 60 -8.284 3.835 -10.401 1.00 0.00 C ATOM 951 C GLU A 60 -7.713 2.685 -9.579 1.00 0.00 C ATOM 952 O GLU A 60 -7.786 1.524 -9.981 1.00 0.00 O ATOM 953 CB GLU A 60 -7.146 4.659 -11.007 1.00 0.00 C ATOM 954 CG GLU A 60 -7.590 5.571 -12.137 1.00 0.00 C ATOM 955 CD GLU A 60 -6.423 6.127 -12.932 1.00 0.00 C ATOM 956 OE1 GLU A 60 -5.676 5.323 -13.529 1.00 0.00 O ATOM 957 OE2 GLU A 60 -6.256 7.364 -12.955 1.00 0.00 O ATOM 0 H GLU A 60 -8.952 5.683 -9.665 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.889 3.417 -11.206 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.688 5.262 -10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.377 3.982 -11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.250 5.019 -12.806 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.171 6.397 -11.726 1.00 0.00 H new ATOM 964 N ALA A 61 -7.142 3.015 -8.424 1.00 0.00 N ATOM 965 CA ALA A 61 -6.559 2.010 -7.545 1.00 0.00 C ATOM 966 C ALA A 61 -7.640 1.139 -6.913 1.00 0.00 C ATOM 967 O ALA A 61 -7.423 -0.044 -6.653 1.00 0.00 O ATOM 968 CB ALA A 61 -5.718 2.676 -6.466 1.00 0.00 C ATOM 0 H ALA A 61 -7.071 3.971 -8.076 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.916 1.367 -8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.289 1.913 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.916 3.249 -6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.346 3.344 -5.876 1.00 0.00 H new ATOM 974 N GLU A 62 -8.804 1.734 -6.668 1.00 0.00 N ATOM 975 CA GLU A 62 -9.918 1.012 -6.065 1.00 0.00 C ATOM 976 C GLU A 62 -10.365 -0.143 -6.958 1.00 0.00 C ATOM 977 O GLU A 62 -10.403 -1.296 -6.528 1.00 0.00 O ATOM 978 CB GLU A 62 -11.092 1.960 -5.813 1.00 0.00 C ATOM 979 CG GLU A 62 -11.004 2.699 -4.488 1.00 0.00 C ATOM 980 CD GLU A 62 -11.595 1.907 -3.337 1.00 0.00 C ATOM 981 OE1 GLU A 62 -12.720 1.388 -3.492 1.00 0.00 O ATOM 982 OE2 GLU A 62 -10.932 1.807 -2.283 1.00 0.00 O ATOM 0 H GLU A 62 -8.999 2.713 -6.878 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.580 0.603 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.141 2.688 -6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.021 1.390 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.960 2.924 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.525 3.653 -4.573 1.00 0.00 H new ATOM 989 N LYS A 63 -10.703 0.176 -8.202 1.00 0.00 N ATOM 990 CA LYS A 63 -11.147 -0.832 -9.157 1.00 0.00 C ATOM 991 C LYS A 63 -10.131 -1.965 -9.264 1.00 0.00 C ATOM 992 O LYS A 63 -10.444 -3.120 -8.979 1.00 0.00 O ATOM 993 CB LYS A 63 -11.368 -0.199 -10.533 1.00 0.00 C ATOM 994 CG LYS A 63 -12.384 0.930 -10.526 1.00 0.00 C ATOM 995 CD LYS A 63 -13.788 0.419 -10.805 1.00 0.00 C ATOM 996 CE LYS A 63 -14.495 0.004 -9.523 1.00 0.00 C ATOM 997 NZ LYS A 63 -15.939 -0.275 -9.750 1.00 0.00 N ATOM 0 H LYS A 63 -10.678 1.126 -8.573 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.090 -1.245 -8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.417 0.181 -10.906 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.698 -0.970 -11.230 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.364 1.432 -9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.110 1.672 -11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.366 1.196 -11.306 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.739 -0.431 -11.486 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.014 -0.885 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.391 0.794 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.384 -0.554 -8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.404 0.580 -10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.039 -1.046 -10.441 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.913 -1.625 -9.676 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.851 -2.614 -9.820 1.00 0.00 C ATOM 1013 C GLU A 64 -7.753 -3.490 -8.574 1.00 0.00 C ATOM 1014 O GLU A 64 -7.719 -4.718 -8.666 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.512 -1.923 -10.079 1.00 0.00 C ATOM 1016 CG GLU A 64 -6.400 -1.310 -11.464 1.00 0.00 C ATOM 1017 CD GLU A 64 -6.425 -2.351 -12.566 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -5.849 -3.441 -12.367 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -7.021 -2.076 -13.629 1.00 0.00 O ATOM 0 H GLU A 64 -8.638 -0.673 -9.916 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.093 -3.249 -10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.366 -1.142 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.708 -2.647 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.220 -0.608 -11.614 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.474 -0.738 -11.530 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.705 -2.850 -7.411 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.610 -3.569 -6.145 1.00 0.00 C ATOM 1028 C LYS A 65 -8.368 -4.891 -6.212 1.00 0.00 C ATOM 1029 O LYS A 65 -7.782 -5.961 -6.052 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.160 -2.710 -5.005 1.00 0.00 C ATOM 1031 CG LYS A 65 -7.510 -2.993 -3.662 1.00 0.00 C ATOM 1032 CD LYS A 65 -8.010 -2.041 -2.588 1.00 0.00 C ATOM 1033 CE LYS A 65 -7.848 -2.635 -1.198 1.00 0.00 C ATOM 1034 NZ LYS A 65 -6.416 -2.752 -0.807 1.00 0.00 N ATOM 0 H LYS A 65 -7.730 -1.835 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.558 -3.783 -5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.019 -1.658 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.234 -2.876 -4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.720 -4.021 -3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.428 -2.902 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.461 -1.101 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.060 -1.809 -2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.372 -2.012 -0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.314 -3.620 -1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.349 -3.161 0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.921 -3.367 -1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.977 -1.809 -0.811 1.00 0.00 H new ATOM 1048 N GLN A 66 -9.673 -4.808 -6.451 1.00 0.00 N ATOM 1049 CA GLN A 66 -10.510 -5.999 -6.540 1.00 0.00 C ATOM 1050 C GLN A 66 -9.767 -7.136 -7.233 1.00 0.00 C ATOM 1051 O GLN A 66 -9.615 -8.221 -6.673 1.00 0.00 O ATOM 1052 CB GLN A 66 -11.803 -5.683 -7.295 1.00 0.00 C ATOM 1053 CG GLN A 66 -12.630 -4.582 -6.651 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.496 -5.092 -5.516 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -13.225 -4.824 -4.345 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -14.546 -5.830 -5.856 1.00 0.00 N ATOM 0 H GLN A 66 -10.173 -3.929 -6.586 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.757 -6.316 -5.527 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.556 -5.391 -8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.406 -6.588 -7.360 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.964 -3.805 -6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.264 -4.119 -7.407 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.734 -6.028 -6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.165 -6.199 -5.134 1.00 0.00 H new ATOM 1065 N GLN A 67 -9.307 -6.879 -8.453 1.00 0.00 N ATOM 1066 CA GLN A 67 -8.582 -7.883 -9.222 1.00 0.00 C ATOM 1067 C GLN A 67 -7.641 -8.681 -8.325 1.00 0.00 C ATOM 1068 O GLN A 67 -7.524 -9.900 -8.459 1.00 0.00 O ATOM 1069 CB GLN A 67 -7.789 -7.218 -10.349 1.00 0.00 C ATOM 1070 CG GLN A 67 -6.869 -8.174 -11.092 1.00 0.00 C ATOM 1071 CD GLN A 67 -5.730 -8.678 -10.227 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -5.437 -9.874 -10.201 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -5.081 -7.767 -9.513 1.00 0.00 N ATOM 0 H GLN A 67 -9.423 -5.985 -8.930 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.310 -8.569 -9.655 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.486 -6.773 -11.059 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.195 -6.405 -9.933 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.449 -9.023 -11.454 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.460 -7.671 -11.968 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.357 -6.787 -9.565 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.306 -8.047 -8.912 1.00 0.00 H new ATOM 1082 N TYR A 68 -6.972 -7.986 -7.411 1.00 0.00 N ATOM 1083 CA TYR A 68 -6.040 -8.630 -6.493 1.00 0.00 C ATOM 1084 C TYR A 68 -6.784 -9.304 -5.345 1.00 0.00 C ATOM 1085 O TYR A 68 -6.373 -10.359 -4.858 1.00 0.00 O ATOM 1086 CB TYR A 68 -5.047 -7.605 -5.941 1.00 0.00 C ATOM 1087 CG TYR A 68 -4.560 -7.926 -4.546 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -5.340 -7.642 -3.432 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -3.318 -8.515 -4.342 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -4.898 -7.933 -2.157 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -2.868 -8.812 -3.069 1.00 0.00 C ATOM 1092 CZ TYR A 68 -3.662 -8.518 -1.980 1.00 0.00 C ATOM 1093 OH TYR A 68 -3.218 -8.810 -0.711 1.00 0.00 O ATOM 0 H TYR A 68 -7.058 -6.977 -7.286 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.494 -9.395 -7.046 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.190 -7.544 -6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.518 -6.622 -5.936 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.310 -7.185 -3.566 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.693 -8.745 -5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.517 -7.704 -1.302 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.901 -9.271 -2.928 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.329 -9.220 -0.762 1.00 0.00 H new ATOM 1103 N LEU A 69 -7.881 -8.690 -4.917 1.00 0.00 N ATOM 1104 CA LEU A 69 -8.685 -9.230 -3.826 1.00 0.00 C ATOM 1105 C LEU A 69 -9.071 -10.680 -4.101 1.00 0.00 C ATOM 1106 O LEU A 69 -8.865 -11.558 -3.263 1.00 0.00 O ATOM 1107 CB LEU A 69 -9.944 -8.384 -3.626 1.00 0.00 C ATOM 1108 CG LEU A 69 -9.827 -7.232 -2.629 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -9.181 -6.021 -3.285 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.194 -6.871 -2.068 1.00 0.00 C ATOM 0 H LEU A 69 -8.235 -7.817 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.086 -9.199 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.239 -7.974 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.750 -9.040 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.192 -7.554 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.106 -5.211 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.184 -6.286 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.789 -5.697 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.091 -6.049 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.853 -6.569 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.619 -7.737 -1.560 1.00 0.00 H new ATOM 1122 N LYS A 70 -9.629 -10.925 -5.281 1.00 0.00 N ATOM 1123 CA LYS A 70 -10.042 -12.269 -5.668 1.00 0.00 C ATOM 1124 C LYS A 70 -8.877 -13.246 -5.564 1.00 0.00 C ATOM 1125 O LYS A 70 -9.062 -14.411 -5.213 1.00 0.00 O ATOM 1126 CB LYS A 70 -10.590 -12.263 -7.098 1.00 0.00 C ATOM 1127 CG LYS A 70 -10.281 -13.533 -7.872 1.00 0.00 C ATOM 1128 CD LYS A 70 -11.368 -13.845 -8.887 1.00 0.00 C ATOM 1129 CE LYS A 70 -10.927 -14.927 -9.861 1.00 0.00 C ATOM 1130 NZ LYS A 70 -11.242 -16.291 -9.353 1.00 0.00 N ATOM 0 H LYS A 70 -9.806 -10.210 -5.987 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.827 -12.593 -4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.670 -12.122 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.174 -11.410 -7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.324 -13.425 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.179 -14.368 -7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.271 -14.167 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.623 -12.940 -9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.420 -14.774 -10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.854 -14.843 -10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.926 -17.001 -10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.752 -16.447 -8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.268 -16.380 -9.210 1.00 0.00 H new ATOM 1144 N GLU A 71 -7.676 -12.765 -5.869 1.00 0.00 N ATOM 1145 CA GLU A 71 -6.480 -13.597 -5.808 1.00 0.00 C ATOM 1146 C GLU A 71 -6.090 -13.884 -4.361 1.00 0.00 C ATOM 1147 O GLU A 71 -5.134 -14.613 -4.097 1.00 0.00 O ATOM 1148 CB GLU A 71 -5.320 -12.916 -6.537 1.00 0.00 C ATOM 1149 CG GLU A 71 -5.479 -12.891 -8.047 1.00 0.00 C ATOM 1150 CD GLU A 71 -4.880 -14.111 -8.719 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -3.960 -14.717 -8.132 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -5.330 -14.459 -9.830 1.00 0.00 O ATOM 0 H GLU A 71 -7.505 -11.803 -6.161 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.702 -14.544 -6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.225 -11.893 -6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.393 -13.431 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.538 -12.828 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.004 -11.993 -8.443 1.00 0.00 H new ATOM 1159 N LEU A 72 -6.836 -13.304 -3.428 1.00 0.00 N ATOM 1160 CA LEU A 72 -6.568 -13.495 -2.006 1.00 0.00 C ATOM 1161 C LEU A 72 -7.513 -14.535 -1.410 1.00 0.00 C ATOM 1162 O LEU A 72 -7.071 -15.534 -0.843 1.00 0.00 O ATOM 1163 CB LEU A 72 -6.714 -12.168 -1.257 1.00 0.00 C ATOM 1164 CG LEU A 72 -6.379 -12.201 0.234 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -4.950 -12.676 0.452 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -6.588 -10.829 0.858 1.00 0.00 C ATOM 0 H LEU A 72 -7.631 -12.698 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.545 -13.855 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.072 -11.430 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.741 -11.820 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.052 -12.907 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.731 -12.693 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.834 -13.679 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.260 -11.997 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.345 -10.871 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.941 -10.103 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.629 -10.528 0.736 1.00 0.00 H new