USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 1 GLY N :NH3+ 150:sc= 0 (180deg=-0.000933) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -139:sc= 0 (180deg=0) USER MOD Set 1.3: A 60 LYS NZ :NH3+ -115:sc= 0.165 (180deg=-0.32) USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 49 GLN : amide:sc= -0.0923 X(o=-0.092,f=-0.33) USER MOD Set 3.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 14 THR OG1 : rot 180:sc= -0.0314 USER MOD Set 4.2: A 17 GLN : amide:sc= -0.158 X(o=-0.19,f=-0.18) USER MOD Set 5.1: A 3 MET CE :methyl 157:sc= 0 (180deg=-0.0243) USER MOD Set 5.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.445 K(o=-0.45,f=-1.6!) USER MOD Single : A 22 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0135) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.97!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.48 USER MOD Single : A 34 GLN : amide:sc= -0.0824 X(o=-0.082,f=-0.082) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.12) USER MOD Single : A 46 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.028) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 172:sc=-0.00234 (180deg=-0.0914) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc=-0.00496 (180deg=-0.0905) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.112 X(o=0.11,f=-0.094) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.821 -7.222 1.641 1.00 0.00 N ATOM 2 CA GLY A 1 12.097 -6.644 2.125 1.00 0.00 C ATOM 3 C GLY A 1 12.194 -6.769 3.617 1.00 0.00 C ATOM 4 O GLY A 1 11.841 -5.814 4.306 1.00 0.00 O ATOM 0 H1 GLY A 1 10.518 -6.722 0.781 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.956 -8.231 1.426 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.092 -7.119 2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.937 -7.156 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.161 -5.595 1.836 1.00 0.00 H new ATOM 10 N PRO A 2 12.656 -7.889 4.185 1.00 0.00 N ATOM 11 CA PRO A 2 12.768 -8.066 5.626 1.00 0.00 C ATOM 12 C PRO A 2 13.993 -7.363 6.154 1.00 0.00 C ATOM 13 O PRO A 2 14.128 -7.247 7.372 1.00 0.00 O ATOM 14 CB PRO A 2 12.911 -9.586 5.803 1.00 0.00 C ATOM 15 CG PRO A 2 13.564 -10.063 4.503 1.00 0.00 C ATOM 16 CD PRO A 2 12.975 -9.119 3.454 1.00 0.00 C ATOM 0 HA PRO A 2 11.916 -7.653 6.165 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.527 -9.829 6.669 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.942 -10.061 5.958 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.651 -9.990 4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.323 -11.104 4.289 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.687 -8.927 2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.084 -9.547 2.994 1.00 0.00 H new ATOM 24 N MET A 3 14.894 -6.914 5.252 1.00 0.00 N ATOM 25 CA MET A 3 16.099 -6.198 5.572 1.00 0.00 C ATOM 26 C MET A 3 15.902 -4.806 5.043 1.00 0.00 C ATOM 27 O MET A 3 14.786 -4.422 4.691 1.00 0.00 O ATOM 28 CB MET A 3 17.348 -6.867 4.939 1.00 0.00 C ATOM 29 CG MET A 3 17.251 -7.098 3.418 1.00 0.00 C ATOM 30 SD MET A 3 18.720 -7.913 2.718 1.00 0.00 S ATOM 31 CE MET A 3 18.057 -8.055 1.032 1.00 0.00 C ATOM 0 H MET A 3 14.776 -7.058 4.249 1.00 0.00 H new ATOM 0 HA MET A 3 16.279 -6.195 6.647 1.00 0.00 H new ATOM 0 HB2 MET A 3 18.220 -6.246 5.144 1.00 0.00 H new ATOM 0 HB3 MET A 3 17.518 -7.826 5.429 1.00 0.00 H new ATOM 0 HG2 MET A 3 16.371 -7.705 3.205 1.00 0.00 H new ATOM 0 HG3 MET A 3 17.104 -6.139 2.921 1.00 0.00 H new ATOM 0 HE1 MET A 3 18.881 -8.143 0.323 1.00 0.00 H new ATOM 0 HE2 MET A 3 17.423 -8.939 0.964 1.00 0.00 H new ATOM 0 HE3 MET A 3 17.469 -7.168 0.796 1.00 0.00 H new ATOM 41 N ALA A 4 16.996 -4.009 4.978 1.00 0.00 N ATOM 42 CA ALA A 4 16.978 -2.680 4.420 1.00 0.00 C ATOM 43 C ALA A 4 17.196 -2.815 2.940 1.00 0.00 C ATOM 44 O ALA A 4 18.328 -2.910 2.468 1.00 0.00 O ATOM 45 CB ALA A 4 18.070 -1.768 5.012 1.00 0.00 C ATOM 0 H ALA A 4 17.913 -4.295 5.321 1.00 0.00 H new ATOM 0 HA ALA A 4 16.021 -2.216 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 4 18.007 -0.781 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 4 17.925 -1.678 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 4 19.051 -2.199 4.813 1.00 0.00 H new ATOM 51 N SER A 5 16.080 -2.850 2.181 1.00 0.00 N ATOM 52 CA SER A 5 16.101 -2.997 0.751 1.00 0.00 C ATOM 53 C SER A 5 14.850 -2.341 0.250 1.00 0.00 C ATOM 54 O SER A 5 13.865 -2.221 0.977 1.00 0.00 O ATOM 55 CB SER A 5 16.165 -4.472 0.269 1.00 0.00 C ATOM 56 OG SER A 5 15.170 -5.288 0.880 1.00 0.00 O ATOM 0 H SER A 5 15.140 -2.774 2.570 1.00 0.00 H new ATOM 0 HA SER A 5 17.008 -2.537 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.042 -4.503 -0.814 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.151 -4.881 0.489 1.00 0.00 H new ATOM 0 HG SER A 5 15.248 -6.206 0.545 1.00 0.00 H new ATOM 62 N ASP A 6 14.886 -1.886 -1.022 1.00 0.00 N ATOM 63 CA ASP A 6 13.779 -1.209 -1.649 1.00 0.00 C ATOM 64 C ASP A 6 13.623 -1.816 -3.010 1.00 0.00 C ATOM 65 O ASP A 6 14.528 -2.477 -3.518 1.00 0.00 O ATOM 66 CB ASP A 6 14.016 0.312 -1.842 1.00 0.00 C ATOM 67 CG ASP A 6 14.265 0.995 -0.494 1.00 0.00 C ATOM 68 OD1 ASP A 6 13.349 0.963 0.368 1.00 0.00 O ATOM 69 OD2 ASP A 6 15.377 1.560 -0.314 1.00 0.00 O ATOM 0 H ASP A 6 15.699 -1.990 -1.629 1.00 0.00 H new ATOM 0 HA ASP A 6 12.904 -1.322 -1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 6 14.870 0.472 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 6 13.150 0.761 -2.329 1.00 0.00 H new ATOM 74 N LYS A 7 12.447 -1.578 -3.637 1.00 0.00 N ATOM 75 CA LYS A 7 12.188 -1.920 -5.015 1.00 0.00 C ATOM 76 C LYS A 7 12.446 -0.659 -5.786 1.00 0.00 C ATOM 77 O LYS A 7 12.380 0.439 -5.232 1.00 0.00 O ATOM 78 CB LYS A 7 10.738 -2.392 -5.298 1.00 0.00 C ATOM 79 CG LYS A 7 10.466 -3.880 -4.985 1.00 0.00 C ATOM 80 CD LYS A 7 10.535 -4.307 -3.506 1.00 0.00 C ATOM 81 CE LYS A 7 9.471 -3.642 -2.622 1.00 0.00 C ATOM 82 NZ LYS A 7 9.565 -4.111 -1.220 1.00 0.00 N ATOM 0 H LYS A 7 11.653 -1.135 -3.174 1.00 0.00 H new ATOM 0 HA LYS A 7 12.822 -2.761 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.052 -1.781 -4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.510 -2.209 -6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.475 -4.130 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.183 -4.481 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.422 -5.389 -3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.523 -4.067 -3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.593 -2.559 -2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.479 -3.863 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.833 -3.644 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.424 -5.141 -1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.504 -3.878 -0.838 1.00 0.00 H new ATOM 96 N ARG A 8 12.782 -0.810 -7.088 1.00 0.00 N ATOM 97 CA ARG A 8 13.147 0.280 -7.959 1.00 0.00 C ATOM 98 C ARG A 8 12.117 0.319 -9.060 1.00 0.00 C ATOM 99 O ARG A 8 11.530 -0.718 -9.364 1.00 0.00 O ATOM 100 CB ARG A 8 14.578 0.100 -8.526 1.00 0.00 C ATOM 101 CG ARG A 8 15.657 0.354 -7.457 1.00 0.00 C ATOM 102 CD ARG A 8 15.805 1.842 -7.092 1.00 0.00 C ATOM 103 NE ARG A 8 16.601 1.966 -5.821 1.00 0.00 N ATOM 104 CZ ARG A 8 16.054 2.316 -4.613 1.00 0.00 C ATOM 105 NH1 ARG A 8 14.726 2.602 -4.484 1.00 0.00 N ATOM 106 NH2 ARG A 8 16.861 2.381 -3.513 1.00 0.00 N ATOM 0 H ARG A 8 12.801 -1.719 -7.551 1.00 0.00 H new ATOM 0 HA ARG A 8 13.161 1.222 -7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.688 -0.911 -8.919 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.726 0.785 -9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.410 -0.212 -6.559 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.614 -0.023 -7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.302 2.379 -7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.822 2.297 -6.965 1.00 0.00 H new ATOM 0 HE ARG A 8 17.603 1.779 -5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.113 2.558 -5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.346 2.860 -3.573 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.856 2.171 -3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.469 2.640 -2.608 1.00 0.00 H new ATOM 120 N PRO A 9 11.818 1.487 -9.642 1.00 0.00 N ATOM 121 CA PRO A 9 10.582 1.710 -10.372 1.00 0.00 C ATOM 122 C PRO A 9 10.651 1.120 -11.756 1.00 0.00 C ATOM 123 O PRO A 9 11.361 1.646 -12.613 1.00 0.00 O ATOM 124 CB PRO A 9 10.432 3.239 -10.425 1.00 0.00 C ATOM 125 CG PRO A 9 11.862 3.777 -10.308 1.00 0.00 C ATOM 126 CD PRO A 9 12.543 2.739 -9.413 1.00 0.00 C ATOM 0 HA PRO A 9 9.729 1.231 -9.891 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.964 3.558 -11.356 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.805 3.603 -9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.347 3.852 -11.281 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.885 4.772 -9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.598 2.634 -9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.496 3.034 -8.365 1.00 0.00 H new ATOM 134 N ARG A 10 9.885 0.033 -11.981 1.00 0.00 N ATOM 135 CA ARG A 10 9.662 -0.549 -13.277 1.00 0.00 C ATOM 136 C ARG A 10 8.172 -0.483 -13.400 1.00 0.00 C ATOM 137 O ARG A 10 7.629 0.365 -14.108 1.00 0.00 O ATOM 138 CB ARG A 10 10.166 -2.010 -13.373 1.00 0.00 C ATOM 139 CG ARG A 10 11.696 -2.112 -13.267 1.00 0.00 C ATOM 140 CD ARG A 10 12.204 -3.558 -13.366 1.00 0.00 C ATOM 141 NE ARG A 10 13.699 -3.570 -13.213 1.00 0.00 N ATOM 142 CZ ARG A 10 14.566 -3.394 -14.258 1.00 0.00 C ATOM 143 NH1 ARG A 10 14.118 -3.207 -15.532 1.00 0.00 N ATOM 144 NH2 ARG A 10 15.912 -3.407 -14.017 1.00 0.00 N ATOM 0 H ARG A 10 9.401 -0.461 -11.232 1.00 0.00 H new ATOM 0 HA ARG A 10 10.201 -0.031 -14.070 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.710 -2.601 -12.579 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.841 -2.442 -14.319 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.151 -1.517 -14.059 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.019 -1.682 -12.319 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.743 -4.172 -12.592 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.922 -3.990 -14.326 1.00 0.00 H new ATOM 0 HE ARG A 10 14.088 -3.717 -12.282 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.116 -3.196 -15.724 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.785 -3.078 -16.293 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.259 -3.547 -13.068 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.569 -3.277 -14.786 1.00 0.00 H new ATOM 158 N THR A 11 7.487 -1.368 -12.643 1.00 0.00 N ATOM 159 CA THR A 11 6.074 -1.325 -12.372 1.00 0.00 C ATOM 160 C THR A 11 5.943 -0.916 -10.920 1.00 0.00 C ATOM 161 O THR A 11 4.877 -0.489 -10.476 1.00 0.00 O ATOM 162 CB THR A 11 5.425 -2.690 -12.615 1.00 0.00 C ATOM 163 OG1 THR A 11 4.005 -2.621 -12.517 1.00 0.00 O ATOM 164 CG2 THR A 11 5.976 -3.771 -11.651 1.00 0.00 C ATOM 0 H THR A 11 7.946 -2.160 -12.194 1.00 0.00 H new ATOM 0 HA THR A 11 5.566 -0.622 -13.032 1.00 0.00 H new ATOM 0 HB THR A 11 5.685 -2.981 -13.633 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.622 -3.509 -12.679 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.489 -4.724 -11.857 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.051 -3.874 -11.796 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.775 -3.476 -10.621 1.00 0.00 H new ATOM 172 N ALA A 12 7.046 -1.085 -10.151 1.00 0.00 N ATOM 173 CA ALA A 12 7.030 -1.178 -8.720 1.00 0.00 C ATOM 174 C ALA A 12 7.277 0.168 -8.088 1.00 0.00 C ATOM 175 O ALA A 12 6.843 1.204 -8.589 1.00 0.00 O ATOM 176 CB ALA A 12 8.066 -2.220 -8.248 1.00 0.00 C ATOM 0 H ALA A 12 7.983 -1.159 -10.546 1.00 0.00 H new ATOM 0 HA ALA A 12 6.041 -1.508 -8.401 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.047 -2.284 -7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.823 -3.194 -8.673 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.061 -1.919 -8.577 1.00 0.00 H new ATOM 182 N PHE A 13 7.944 0.140 -6.919 1.00 0.00 N ATOM 183 CA PHE A 13 7.986 1.216 -5.959 1.00 0.00 C ATOM 184 C PHE A 13 9.294 1.946 -6.084 1.00 0.00 C ATOM 185 O PHE A 13 10.152 1.571 -6.876 1.00 0.00 O ATOM 186 CB PHE A 13 7.888 0.681 -4.504 1.00 0.00 C ATOM 187 CG PHE A 13 6.642 -0.146 -4.314 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.624 -1.526 -4.605 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.469 0.459 -3.841 1.00 0.00 C ATOM 190 CE1 PHE A 13 5.438 -2.265 -4.492 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.293 -0.286 -3.711 1.00 0.00 C ATOM 192 CZ PHE A 13 4.265 -1.637 -4.059 1.00 0.00 C ATOM 0 H PHE A 13 8.484 -0.673 -6.623 1.00 0.00 H new ATOM 0 HA PHE A 13 7.141 1.873 -6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.767 0.078 -4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.884 1.517 -3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.533 -2.018 -4.918 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.474 1.506 -3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.430 -3.316 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.398 0.189 -3.338 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.343 -2.195 -3.994 1.00 0.00 H new ATOM 202 N THR A 14 9.463 3.011 -5.266 1.00 0.00 N ATOM 203 CA THR A 14 10.739 3.630 -4.977 1.00 0.00 C ATOM 204 C THR A 14 10.883 3.464 -3.485 1.00 0.00 C ATOM 205 O THR A 14 10.085 2.780 -2.852 1.00 0.00 O ATOM 206 CB THR A 14 10.853 5.102 -5.382 1.00 0.00 C ATOM 207 OG1 THR A 14 9.841 5.914 -4.798 1.00 0.00 O ATOM 208 CG2 THR A 14 10.790 5.233 -6.916 1.00 0.00 C ATOM 0 H THR A 14 8.684 3.461 -4.786 1.00 0.00 H new ATOM 0 HA THR A 14 11.530 3.159 -5.561 1.00 0.00 H new ATOM 0 HB THR A 14 11.814 5.457 -5.009 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.960 6.843 -5.087 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.872 6.283 -7.195 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.612 4.674 -7.363 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.842 4.835 -7.277 1.00 0.00 H new ATOM 216 N ALA A 15 11.904 4.107 -2.876 1.00 0.00 N ATOM 217 CA ALA A 15 12.112 4.100 -1.447 1.00 0.00 C ATOM 218 C ALA A 15 11.083 4.960 -0.756 1.00 0.00 C ATOM 219 O ALA A 15 10.658 4.656 0.358 1.00 0.00 O ATOM 220 CB ALA A 15 13.506 4.639 -1.075 1.00 0.00 C ATOM 0 H ALA A 15 12.604 4.646 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 15 12.023 3.063 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.627 4.619 0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.272 4.016 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.607 5.664 -1.432 1.00 0.00 H new ATOM 226 N GLU A 16 10.660 6.055 -1.432 1.00 0.00 N ATOM 227 CA GLU A 16 9.750 7.051 -0.925 1.00 0.00 C ATOM 228 C GLU A 16 8.324 6.573 -0.960 1.00 0.00 C ATOM 229 O GLU A 16 7.487 7.047 -0.191 1.00 0.00 O ATOM 230 CB GLU A 16 9.835 8.345 -1.766 1.00 0.00 C ATOM 231 CG GLU A 16 11.233 8.992 -1.775 1.00 0.00 C ATOM 232 CD GLU A 16 11.657 9.359 -0.353 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.963 10.204 0.276 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.682 8.800 0.125 1.00 0.00 O ATOM 0 H GLU A 16 10.970 6.256 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 16 10.044 7.244 0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.543 8.120 -2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.114 9.066 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.957 8.304 -2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.224 9.884 -2.401 1.00 0.00 H new ATOM 241 N GLN A 17 8.014 5.611 -1.856 1.00 0.00 N ATOM 242 CA GLN A 17 6.691 5.056 -1.995 1.00 0.00 C ATOM 243 C GLN A 17 6.453 4.045 -0.907 1.00 0.00 C ATOM 244 O GLN A 17 5.380 4.026 -0.309 1.00 0.00 O ATOM 245 CB GLN A 17 6.467 4.404 -3.376 1.00 0.00 C ATOM 246 CG GLN A 17 6.448 5.449 -4.509 1.00 0.00 C ATOM 247 CD GLN A 17 6.346 4.775 -5.883 1.00 0.00 C ATOM 248 OE1 GLN A 17 7.244 4.917 -6.721 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.219 4.037 -6.116 1.00 0.00 N ATOM 0 H GLN A 17 8.696 5.208 -2.499 1.00 0.00 H new ATOM 0 HA GLN A 17 5.980 5.877 -1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.256 3.677 -3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.524 3.857 -3.371 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.605 6.126 -4.369 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.353 6.054 -4.464 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.507 3.951 -5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.090 3.573 -7.015 1.00 0.00 H new ATOM 258 N LEU A 18 7.471 3.203 -0.608 1.00 0.00 N ATOM 259 CA LEU A 18 7.412 2.164 0.391 1.00 0.00 C ATOM 260 C LEU A 18 7.223 2.687 1.789 1.00 0.00 C ATOM 261 O LEU A 18 6.437 2.119 2.538 1.00 0.00 O ATOM 262 CB LEU A 18 8.707 1.327 0.400 1.00 0.00 C ATOM 263 CG LEU A 18 8.914 0.491 -0.880 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.346 -0.058 -0.943 1.00 0.00 C ATOM 265 CD2 LEU A 18 7.897 -0.649 -1.025 1.00 0.00 C ATOM 0 H LEU A 18 8.373 3.248 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 18 6.547 1.562 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.559 1.994 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.691 0.659 1.261 1.00 0.00 H new ATOM 0 HG LEU A 18 8.749 1.167 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.471 -0.645 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.054 0.771 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.532 -0.691 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.096 -1.199 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.982 -1.323 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.889 -0.235 -1.061 1.00 0.00 H new ATOM 277 N GLN A 19 7.935 3.776 2.174 1.00 0.00 N ATOM 278 CA GLN A 19 7.940 4.296 3.527 1.00 0.00 C ATOM 279 C GLN A 19 6.636 4.951 3.892 1.00 0.00 C ATOM 280 O GLN A 19 6.233 4.959 5.053 1.00 0.00 O ATOM 281 CB GLN A 19 9.107 5.283 3.780 1.00 0.00 C ATOM 282 CG GLN A 19 9.195 6.539 2.884 1.00 0.00 C ATOM 283 CD GLN A 19 8.323 7.703 3.385 1.00 0.00 C ATOM 284 OE1 GLN A 19 7.970 7.792 4.565 1.00 0.00 O ATOM 285 NE2 GLN A 19 7.988 8.632 2.436 1.00 0.00 N ATOM 0 H GLN A 19 8.522 4.309 1.532 1.00 0.00 H new ATOM 0 HA GLN A 19 8.083 3.427 4.169 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.047 5.615 4.817 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.041 4.731 3.676 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.233 6.868 2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.892 6.276 1.871 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.304 8.514 1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.423 9.442 2.692 1.00 0.00 H new ATOM 294 N ARG A 20 5.948 5.495 2.869 1.00 0.00 N ATOM 295 CA ARG A 20 4.649 6.117 2.981 1.00 0.00 C ATOM 296 C ARG A 20 3.582 5.073 3.204 1.00 0.00 C ATOM 297 O ARG A 20 2.606 5.309 3.917 1.00 0.00 O ATOM 298 CB ARG A 20 4.318 6.942 1.714 1.00 0.00 C ATOM 299 CG ARG A 20 3.015 7.766 1.772 1.00 0.00 C ATOM 300 CD ARG A 20 2.892 8.733 2.963 1.00 0.00 C ATOM 301 NE ARG A 20 4.030 9.718 2.926 1.00 0.00 N ATOM 302 CZ ARG A 20 4.885 9.947 3.972 1.00 0.00 C ATOM 303 NH1 ARG A 20 4.780 9.262 5.148 1.00 0.00 N ATOM 304 NH2 ARG A 20 5.868 10.886 3.833 1.00 0.00 N ATOM 0 H ARG A 20 6.310 5.505 1.915 1.00 0.00 H new ATOM 0 HA ARG A 20 4.674 6.791 3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.147 7.622 1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.258 6.261 0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.928 8.341 0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.171 7.077 1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.939 9.260 2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.908 8.177 3.900 1.00 0.00 H new ATOM 0 HE ARG A 20 4.174 10.249 2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.051 8.558 5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.431 9.454 5.910 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.958 11.405 2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.512 11.068 4.603 1.00 0.00 H new ATOM 318 N LEU A 21 3.772 3.863 2.626 1.00 0.00 N ATOM 319 CA LEU A 21 2.882 2.743 2.828 1.00 0.00 C ATOM 320 C LEU A 21 3.067 2.136 4.186 1.00 0.00 C ATOM 321 O LEU A 21 2.141 1.500 4.671 1.00 0.00 O ATOM 322 CB LEU A 21 3.099 1.595 1.826 1.00 0.00 C ATOM 323 CG LEU A 21 2.756 1.971 0.376 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.347 0.965 -0.619 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.241 2.140 0.155 1.00 0.00 C ATOM 0 H LEU A 21 4.556 3.657 2.007 1.00 0.00 H new ATOM 0 HA LEU A 21 1.887 3.168 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.140 1.275 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.489 0.742 2.125 1.00 0.00 H new ATOM 0 HG LEU A 21 3.216 2.942 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.085 1.261 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.432 0.945 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.945 -0.027 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.052 2.405 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.733 1.205 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.864 2.930 0.805 1.00 0.00 H new ATOM 337 N LYS A 22 4.244 2.320 4.836 1.00 0.00 N ATOM 338 CA LYS A 22 4.488 1.832 6.177 1.00 0.00 C ATOM 339 C LYS A 22 3.834 2.747 7.182 1.00 0.00 C ATOM 340 O LYS A 22 3.518 2.327 8.294 1.00 0.00 O ATOM 341 CB LYS A 22 5.990 1.735 6.550 1.00 0.00 C ATOM 342 CG LYS A 22 6.829 0.769 5.696 1.00 0.00 C ATOM 343 CD LYS A 22 6.293 -0.672 5.622 1.00 0.00 C ATOM 344 CE LYS A 22 6.279 -1.447 6.948 1.00 0.00 C ATOM 345 NZ LYS A 22 7.645 -1.611 7.496 1.00 0.00 N ATOM 0 H LYS A 22 5.038 2.814 4.427 1.00 0.00 H new ATOM 0 HA LYS A 22 4.070 0.826 6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.429 2.730 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.067 1.429 7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.895 1.168 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.843 0.743 6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.277 -0.642 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.896 -1.228 4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.656 -0.921 7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.828 -2.427 6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.604 -2.182 8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.245 -2.090 6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.046 -0.677 7.714 1.00 0.00 H new ATOM 359 N ALA A 23 3.595 4.020 6.785 1.00 0.00 N ATOM 360 CA ALA A 23 2.920 5.009 7.595 1.00 0.00 C ATOM 361 C ALA A 23 1.427 4.803 7.524 1.00 0.00 C ATOM 362 O ALA A 23 0.694 5.211 8.422 1.00 0.00 O ATOM 363 CB ALA A 23 3.229 6.446 7.138 1.00 0.00 C ATOM 0 H ALA A 23 3.880 4.374 5.872 1.00 0.00 H new ATOM 0 HA ALA A 23 3.283 4.882 8.615 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.699 7.153 7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.302 6.627 7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.905 6.577 6.105 1.00 0.00 H new ATOM 369 N GLU A 24 0.954 4.132 6.448 1.00 0.00 N ATOM 370 CA GLU A 24 -0.414 3.702 6.293 1.00 0.00 C ATOM 371 C GLU A 24 -0.604 2.387 7.012 1.00 0.00 C ATOM 372 O GLU A 24 -1.646 2.176 7.625 1.00 0.00 O ATOM 373 CB GLU A 24 -0.804 3.642 4.786 1.00 0.00 C ATOM 374 CG GLU A 24 -1.892 2.641 4.343 1.00 0.00 C ATOM 375 CD GLU A 24 -1.295 1.278 3.976 1.00 0.00 C ATOM 376 OE1 GLU A 24 -0.464 1.230 3.030 1.00 0.00 O ATOM 377 OE2 GLU A 24 -1.677 0.266 4.620 1.00 0.00 O ATOM 0 H GLU A 24 1.545 3.879 5.656 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.091 4.425 6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.131 4.639 4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.100 3.420 4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.619 2.515 5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.430 3.045 3.486 1.00 0.00 H new ATOM 384 N PHE A 25 0.408 1.484 6.972 1.00 0.00 N ATOM 385 CA PHE A 25 0.325 0.101 7.400 1.00 0.00 C ATOM 386 C PHE A 25 0.181 -0.032 8.893 1.00 0.00 C ATOM 387 O PHE A 25 -0.442 -0.978 9.371 1.00 0.00 O ATOM 388 CB PHE A 25 1.573 -0.699 6.931 1.00 0.00 C ATOM 389 CG PHE A 25 1.499 -2.197 7.103 1.00 0.00 C ATOM 390 CD1 PHE A 25 0.371 -2.928 6.695 1.00 0.00 C ATOM 391 CD2 PHE A 25 2.616 -2.897 7.594 1.00 0.00 C ATOM 392 CE1 PHE A 25 0.357 -4.326 6.777 1.00 0.00 C ATOM 393 CE2 PHE A 25 2.602 -4.293 7.688 1.00 0.00 C ATOM 394 CZ PHE A 25 1.464 -5.008 7.290 1.00 0.00 C ATOM 0 H PHE A 25 1.335 1.729 6.623 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.572 -0.311 6.937 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.745 -0.482 5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.442 -0.332 7.478 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.495 -2.406 6.314 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.495 -2.350 7.902 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.510 -4.877 6.444 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.466 -4.819 8.066 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.443 -6.084 7.380 1.00 0.00 H new ATOM 404 N GLN A 26 0.755 0.922 9.659 1.00 0.00 N ATOM 405 CA GLN A 26 0.826 0.871 11.100 1.00 0.00 C ATOM 406 C GLN A 26 -0.519 0.907 11.778 1.00 0.00 C ATOM 407 O GLN A 26 -0.741 0.192 12.754 1.00 0.00 O ATOM 408 CB GLN A 26 1.689 2.015 11.675 1.00 0.00 C ATOM 409 CG GLN A 26 1.396 3.420 11.113 1.00 0.00 C ATOM 410 CD GLN A 26 2.351 4.448 11.735 1.00 0.00 C ATOM 411 OE1 GLN A 26 3.214 4.113 12.556 1.00 0.00 O ATOM 412 NE2 GLN A 26 2.176 5.740 11.319 1.00 0.00 N ATOM 0 H GLN A 26 1.185 1.759 9.265 1.00 0.00 H new ATOM 0 HA GLN A 26 1.288 -0.093 11.312 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.552 2.040 12.756 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.738 1.782 11.492 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.509 3.417 10.029 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.363 3.697 11.325 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.449 5.963 10.639 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.773 6.480 11.689 1.00 0.00 H new ATOM 421 N THR A 27 -1.447 1.742 11.267 1.00 0.00 N ATOM 422 CA THR A 27 -2.769 1.892 11.818 1.00 0.00 C ATOM 423 C THR A 27 -3.642 0.920 11.090 1.00 0.00 C ATOM 424 O THR A 27 -4.425 0.182 11.687 1.00 0.00 O ATOM 425 CB THR A 27 -3.311 3.299 11.607 1.00 0.00 C ATOM 426 OG1 THR A 27 -2.413 4.250 12.165 1.00 0.00 O ATOM 427 CG2 THR A 27 -4.694 3.459 12.277 1.00 0.00 C ATOM 0 H THR A 27 -1.277 2.329 10.450 1.00 0.00 H new ATOM 0 HA THR A 27 -2.746 1.711 12.893 1.00 0.00 H new ATOM 0 HB THR A 27 -3.414 3.468 10.535 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.765 5.154 12.025 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.062 4.472 12.114 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.393 2.744 11.843 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.603 3.274 13.347 1.00 0.00 H new ATOM 435 N ASN A 28 -3.511 0.945 9.753 1.00 0.00 N ATOM 436 CA ASN A 28 -4.454 0.372 8.844 1.00 0.00 C ATOM 437 C ASN A 28 -3.771 -0.697 8.050 1.00 0.00 C ATOM 438 O ASN A 28 -2.950 -0.415 7.186 1.00 0.00 O ATOM 439 CB ASN A 28 -4.958 1.436 7.846 1.00 0.00 C ATOM 440 CG ASN A 28 -5.866 2.446 8.563 1.00 0.00 C ATOM 441 OD1 ASN A 28 -6.896 2.066 9.132 1.00 0.00 O ATOM 442 ND2 ASN A 28 -5.466 3.753 8.525 1.00 0.00 N ATOM 0 H ASN A 28 -2.716 1.382 9.286 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.291 -0.026 9.418 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.111 1.953 7.396 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.505 0.955 7.035 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.028 4.472 8.981 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.606 4.009 8.040 1.00 0.00 H new ATOM 449 N ARG A 29 -4.158 -1.966 8.301 1.00 0.00 N ATOM 450 CA ARG A 29 -3.811 -3.085 7.457 1.00 0.00 C ATOM 451 C ARG A 29 -4.802 -3.075 6.338 1.00 0.00 C ATOM 452 O ARG A 29 -4.468 -2.726 5.206 1.00 0.00 O ATOM 453 CB ARG A 29 -3.951 -4.465 8.156 1.00 0.00 C ATOM 454 CG ARG A 29 -2.662 -5.042 8.771 1.00 0.00 C ATOM 455 CD ARG A 29 -1.843 -4.110 9.673 1.00 0.00 C ATOM 456 NE ARG A 29 -2.688 -3.639 10.819 1.00 0.00 N ATOM 457 CZ ARG A 29 -2.151 -3.008 11.908 1.00 0.00 C ATOM 458 NH1 ARG A 29 -0.801 -2.845 12.028 1.00 0.00 N ATOM 459 NH2 ARG A 29 -2.976 -2.540 12.888 1.00 0.00 N ATOM 0 H ARG A 29 -4.725 -2.225 9.108 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.769 -2.973 7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.699 -4.377 8.944 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.336 -5.181 7.430 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.929 -5.926 9.351 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.019 -5.377 7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.964 -4.633 10.049 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.485 -3.256 9.099 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.696 -3.794 10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.178 -3.196 11.300 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.415 -2.373 12.845 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.985 -2.661 12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.584 -2.069 13.703 1.00 0.00 H new ATOM 473 N TYR A 30 -6.046 -3.497 6.665 1.00 0.00 N ATOM 474 CA TYR A 30 -7.072 -3.834 5.729 1.00 0.00 C ATOM 475 C TYR A 30 -7.697 -2.575 5.228 1.00 0.00 C ATOM 476 O TYR A 30 -8.546 -1.965 5.876 1.00 0.00 O ATOM 477 CB TYR A 30 -8.147 -4.745 6.360 1.00 0.00 C ATOM 478 CG TYR A 30 -7.520 -6.065 6.734 1.00 0.00 C ATOM 479 CD1 TYR A 30 -7.275 -7.036 5.748 1.00 0.00 C ATOM 480 CD2 TYR A 30 -7.131 -6.331 8.059 1.00 0.00 C ATOM 481 CE1 TYR A 30 -6.653 -8.246 6.076 1.00 0.00 C ATOM 482 CE2 TYR A 30 -6.501 -7.537 8.390 1.00 0.00 C ATOM 483 CZ TYR A 30 -6.261 -8.497 7.398 1.00 0.00 C ATOM 484 OH TYR A 30 -5.625 -9.714 7.726 1.00 0.00 O ATOM 0 H TYR A 30 -6.345 -3.607 7.634 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.622 -4.388 4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.573 -4.268 7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.965 -4.903 5.657 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.570 -6.846 4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.320 -5.598 8.829 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.475 -8.987 5.310 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.200 -7.727 9.410 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.418 -9.727 8.684 1.00 0.00 H new ATOM 494 N LEU A 31 -7.240 -2.182 4.023 1.00 0.00 N ATOM 495 CA LEU A 31 -7.705 -1.034 3.295 1.00 0.00 C ATOM 496 C LEU A 31 -9.054 -1.325 2.705 1.00 0.00 C ATOM 497 O LEU A 31 -9.516 -2.465 2.672 1.00 0.00 O ATOM 498 CB LEU A 31 -6.786 -0.654 2.104 1.00 0.00 C ATOM 499 CG LEU A 31 -5.312 -0.377 2.466 1.00 0.00 C ATOM 500 CD1 LEU A 31 -4.500 -0.084 1.195 1.00 0.00 C ATOM 501 CD2 LEU A 31 -5.150 0.793 3.443 1.00 0.00 C ATOM 0 H LEU A 31 -6.507 -2.691 3.529 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.724 -0.214 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.817 -1.461 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.196 0.232 1.619 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.939 -1.275 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.461 0.110 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.548 -0.944 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.914 0.790 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.092 0.941 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.559 1.699 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.684 0.572 4.367 1.00 0.00 H new ATOM 513 N THR A 32 -9.691 -0.254 2.199 1.00 0.00 N ATOM 514 CA THR A 32 -10.914 -0.321 1.440 1.00 0.00 C ATOM 515 C THR A 32 -10.503 -0.360 0.002 1.00 0.00 C ATOM 516 O THR A 32 -9.319 -0.297 -0.313 1.00 0.00 O ATOM 517 CB THR A 32 -11.901 0.796 1.757 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.414 2.087 1.421 1.00 0.00 O ATOM 519 CG2 THR A 32 -12.195 0.772 3.267 1.00 0.00 C ATOM 0 H THR A 32 -9.346 0.698 2.320 1.00 0.00 H new ATOM 0 HA THR A 32 -11.478 -1.214 1.708 1.00 0.00 H new ATOM 0 HB THR A 32 -12.794 0.617 1.158 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.090 2.760 1.645 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.901 1.566 3.513 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.624 -0.192 3.539 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.269 0.926 3.821 1.00 0.00 H new ATOM 527 N GLU A 33 -11.485 -0.464 -0.919 1.00 0.00 N ATOM 528 CA GLU A 33 -11.234 -0.377 -2.336 1.00 0.00 C ATOM 529 C GLU A 33 -10.919 1.057 -2.674 1.00 0.00 C ATOM 530 O GLU A 33 -10.158 1.331 -3.598 1.00 0.00 O ATOM 531 CB GLU A 33 -12.453 -0.846 -3.165 1.00 0.00 C ATOM 532 CG GLU A 33 -12.179 -0.950 -4.679 1.00 0.00 C ATOM 533 CD GLU A 33 -13.426 -1.461 -5.399 1.00 0.00 C ATOM 534 OE1 GLU A 33 -13.841 -2.618 -5.119 1.00 0.00 O ATOM 535 OE2 GLU A 33 -13.978 -0.702 -6.241 1.00 0.00 O ATOM 0 H GLU A 33 -12.466 -0.610 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.397 -1.031 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.777 -1.820 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.278 -0.153 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.894 0.025 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.342 -1.624 -4.860 1.00 0.00 H new ATOM 542 N GLN A 34 -11.499 1.998 -1.888 1.00 0.00 N ATOM 543 CA GLN A 34 -11.488 3.412 -2.153 1.00 0.00 C ATOM 544 C GLN A 34 -10.209 4.047 -1.680 1.00 0.00 C ATOM 545 O GLN A 34 -9.648 4.900 -2.366 1.00 0.00 O ATOM 546 CB GLN A 34 -12.696 4.103 -1.480 1.00 0.00 C ATOM 547 CG GLN A 34 -12.860 5.598 -1.806 1.00 0.00 C ATOM 548 CD GLN A 34 -13.049 5.790 -3.317 1.00 0.00 C ATOM 549 OE1 GLN A 34 -14.037 5.314 -3.890 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.076 6.502 -3.965 1.00 0.00 N ATOM 0 H GLN A 34 -11.997 1.760 -1.030 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.559 3.543 -3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.605 3.581 -1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.603 3.991 -0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.718 6.003 -1.270 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.983 6.150 -1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.282 6.872 -3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.145 6.662 -4.970 1.00 0.00 H new ATOM 559 N ARG A 35 -9.707 3.622 -0.499 1.00 0.00 N ATOM 560 CA ARG A 35 -8.455 4.067 0.067 1.00 0.00 C ATOM 561 C ARG A 35 -7.325 3.563 -0.765 1.00 0.00 C ATOM 562 O ARG A 35 -6.413 4.315 -1.087 1.00 0.00 O ATOM 563 CB ARG A 35 -8.194 3.464 1.463 1.00 0.00 C ATOM 564 CG ARG A 35 -8.880 4.225 2.610 1.00 0.00 C ATOM 565 CD ARG A 35 -8.721 3.580 3.995 1.00 0.00 C ATOM 566 NE ARG A 35 -7.260 3.351 4.234 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.428 4.195 4.919 1.00 0.00 C ATOM 568 NH1 ARG A 35 -6.888 5.308 5.555 1.00 0.00 N ATOM 569 NH2 ARG A 35 -5.089 3.919 4.953 1.00 0.00 N ATOM 0 H ARG A 35 -10.190 2.941 0.087 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.518 5.154 0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.537 2.429 1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.119 3.445 1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.478 5.237 2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.943 4.312 2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.136 4.228 4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.267 2.638 4.042 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.852 2.496 3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.882 5.535 5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.238 5.914 6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.726 3.096 4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.454 4.537 5.458 1.00 0.00 H new ATOM 583 N ARG A 36 -7.380 2.255 -1.096 1.00 0.00 N ATOM 584 CA ARG A 36 -6.325 1.530 -1.770 1.00 0.00 C ATOM 585 C ARG A 36 -6.082 2.045 -3.160 1.00 0.00 C ATOM 586 O ARG A 36 -4.939 2.168 -3.597 1.00 0.00 O ATOM 587 CB ARG A 36 -6.659 0.032 -1.856 1.00 0.00 C ATOM 588 CG ARG A 36 -5.506 -0.839 -2.366 1.00 0.00 C ATOM 589 CD ARG A 36 -5.808 -2.340 -2.316 1.00 0.00 C ATOM 590 NE ARG A 36 -7.055 -2.616 -3.106 1.00 0.00 N ATOM 591 CZ ARG A 36 -7.829 -3.728 -2.916 1.00 0.00 C ATOM 592 NH1 ARG A 36 -7.496 -4.674 -1.991 1.00 0.00 N ATOM 593 NH2 ARG A 36 -8.958 -3.891 -3.669 1.00 0.00 N ATOM 0 H ARG A 36 -8.191 1.673 -0.888 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.423 1.680 -1.177 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.956 -0.320 -0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.518 -0.100 -2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.274 -0.557 -3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.616 -0.635 -1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.971 -2.906 -2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.938 -2.663 -1.283 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.338 -1.943 -3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.655 -4.560 -1.425 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.088 -5.495 -1.866 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.214 -3.188 -4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.544 -4.715 -3.538 1.00 0.00 H new ATOM 607 N GLN A 37 -7.177 2.385 -3.871 1.00 0.00 N ATOM 608 CA GLN A 37 -7.106 2.929 -5.213 1.00 0.00 C ATOM 609 C GLN A 37 -6.770 4.399 -5.204 1.00 0.00 C ATOM 610 O GLN A 37 -6.515 4.970 -6.260 1.00 0.00 O ATOM 611 CB GLN A 37 -8.395 2.731 -6.048 1.00 0.00 C ATOM 612 CG GLN A 37 -9.548 3.692 -5.703 1.00 0.00 C ATOM 613 CD GLN A 37 -10.848 3.237 -6.376 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.821 2.881 -5.703 1.00 0.00 O ATOM 615 NE2 GLN A 37 -10.852 3.258 -7.744 1.00 0.00 N ATOM 0 H GLN A 37 -8.128 2.284 -3.517 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.309 2.358 -5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.148 2.848 -7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.743 1.707 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.686 3.731 -4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.297 4.702 -6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.021 3.561 -8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.686 2.971 -8.256 1.00 0.00 H new ATOM 624 N SER A 38 -6.752 5.047 -4.014 1.00 0.00 N ATOM 625 CA SER A 38 -6.354 6.431 -3.883 1.00 0.00 C ATOM 626 C SER A 38 -4.884 6.469 -3.574 1.00 0.00 C ATOM 627 O SER A 38 -4.238 7.491 -3.791 1.00 0.00 O ATOM 628 CB SER A 38 -7.133 7.152 -2.765 1.00 0.00 C ATOM 629 OG SER A 38 -6.921 8.561 -2.772 1.00 0.00 O ATOM 0 H SER A 38 -7.016 4.608 -3.132 1.00 0.00 H new ATOM 0 HA SER A 38 -6.574 6.947 -4.818 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.198 6.948 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.832 6.748 -1.798 1.00 0.00 H new ATOM 0 HG SER A 38 -7.436 8.973 -2.047 1.00 0.00 H new ATOM 635 N LEU A 39 -4.311 5.331 -3.095 1.00 0.00 N ATOM 636 CA LEU A 39 -2.882 5.168 -2.945 1.00 0.00 C ATOM 637 C LEU A 39 -2.329 4.853 -4.313 1.00 0.00 C ATOM 638 O LEU A 39 -1.156 5.091 -4.593 1.00 0.00 O ATOM 639 CB LEU A 39 -2.434 4.019 -2.000 1.00 0.00 C ATOM 640 CG LEU A 39 -3.180 3.884 -0.650 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.510 2.818 0.241 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.376 5.199 0.128 1.00 0.00 C ATOM 0 H LEU A 39 -4.849 4.513 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.513 6.092 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.538 3.078 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.373 4.150 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.187 3.565 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.051 2.740 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.528 1.854 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.477 3.105 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.908 4.996 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.404 5.636 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.955 5.897 -0.477 1.00 0.00 H new ATOM 654 N ALA A 40 -3.211 4.319 -5.203 1.00 0.00 N ATOM 655 CA ALA A 40 -2.908 4.071 -6.589 1.00 0.00 C ATOM 656 C ALA A 40 -2.861 5.361 -7.368 1.00 0.00 C ATOM 657 O ALA A 40 -2.158 5.447 -8.371 1.00 0.00 O ATOM 658 CB ALA A 40 -3.918 3.126 -7.264 1.00 0.00 C ATOM 0 H ALA A 40 -4.162 4.054 -4.945 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.931 3.587 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.637 2.977 -8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.919 2.166 -6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.915 3.565 -7.216 1.00 0.00 H new ATOM 664 N GLN A 41 -3.588 6.414 -6.910 1.00 0.00 N ATOM 665 CA GLN A 41 -3.508 7.718 -7.532 1.00 0.00 C ATOM 666 C GLN A 41 -2.302 8.462 -7.018 1.00 0.00 C ATOM 667 O GLN A 41 -1.757 9.319 -7.711 1.00 0.00 O ATOM 668 CB GLN A 41 -4.742 8.612 -7.246 1.00 0.00 C ATOM 669 CG GLN A 41 -6.071 8.071 -7.806 1.00 0.00 C ATOM 670 CD GLN A 41 -5.991 7.861 -9.323 1.00 0.00 C ATOM 671 OE1 GLN A 41 -6.008 6.719 -9.798 1.00 0.00 O ATOM 672 NE2 GLN A 41 -5.903 8.993 -10.086 1.00 0.00 N ATOM 0 H GLN A 41 -4.226 6.364 -6.116 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.451 7.528 -8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.841 8.737 -6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.562 9.602 -7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.317 7.128 -7.318 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.876 8.768 -7.575 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.893 9.910 -9.639 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.847 8.920 -11.102 1.00 0.00 H new ATOM 681 N GLU A 42 -1.879 8.157 -5.769 1.00 0.00 N ATOM 682 CA GLU A 42 -0.970 8.974 -5.007 1.00 0.00 C ATOM 683 C GLU A 42 0.453 8.739 -5.386 1.00 0.00 C ATOM 684 O GLU A 42 1.106 9.590 -5.985 1.00 0.00 O ATOM 685 CB GLU A 42 -1.134 8.710 -3.491 1.00 0.00 C ATOM 686 CG GLU A 42 -0.335 9.651 -2.571 1.00 0.00 C ATOM 687 CD GLU A 42 -0.577 9.252 -1.117 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.750 9.335 -0.664 1.00 0.00 O ATOM 689 OE2 GLU A 42 0.409 8.853 -0.438 1.00 0.00 O ATOM 0 H GLU A 42 -2.178 7.317 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.221 10.010 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.191 8.791 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.834 7.683 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.728 9.593 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.641 10.685 -2.733 1.00 0.00 H new ATOM 696 N LEU A 43 0.947 7.540 -5.025 1.00 0.00 N ATOM 697 CA LEU A 43 2.295 7.084 -5.215 1.00 0.00 C ATOM 698 C LEU A 43 2.467 6.742 -6.662 1.00 0.00 C ATOM 699 O LEU A 43 3.564 6.817 -7.214 1.00 0.00 O ATOM 700 CB LEU A 43 2.523 5.823 -4.361 1.00 0.00 C ATOM 701 CG LEU A 43 2.228 6.053 -2.860 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.272 4.729 -2.087 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.157 7.101 -2.221 1.00 0.00 C ATOM 0 H LEU A 43 0.364 6.839 -4.568 1.00 0.00 H new ATOM 0 HA LEU A 43 3.008 7.854 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.888 5.019 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.555 5.493 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 43 1.218 6.459 -2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.062 4.915 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.524 4.047 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.262 4.283 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.902 7.219 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.192 6.771 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.035 8.055 -2.733 1.00 0.00 H new ATOM 715 N GLY A 44 1.327 6.396 -7.293 1.00 0.00 N ATOM 716 CA GLY A 44 1.222 6.196 -8.715 1.00 0.00 C ATOM 717 C GLY A 44 1.299 4.732 -8.962 1.00 0.00 C ATOM 718 O GLY A 44 1.976 4.277 -9.883 1.00 0.00 O ATOM 0 H GLY A 44 0.446 6.250 -6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.282 6.600 -9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.025 6.717 -9.237 1.00 0.00 H new ATOM 722 N LEU A 45 0.589 3.964 -8.109 1.00 0.00 N ATOM 723 CA LEU A 45 0.588 2.518 -8.167 1.00 0.00 C ATOM 724 C LEU A 45 -0.663 2.077 -8.875 1.00 0.00 C ATOM 725 O LEU A 45 -1.330 2.869 -9.538 1.00 0.00 O ATOM 726 CB LEU A 45 0.655 1.877 -6.756 1.00 0.00 C ATOM 727 CG LEU A 45 1.965 2.196 -6.007 1.00 0.00 C ATOM 728 CD1 LEU A 45 1.762 2.065 -4.490 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.120 1.308 -6.506 1.00 0.00 C ATOM 0 H LEU A 45 0.005 4.346 -7.365 1.00 0.00 H new ATOM 0 HA LEU A 45 1.476 2.188 -8.706 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.190 2.228 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.551 0.796 -6.849 1.00 0.00 H new ATOM 0 HG LEU A 45 2.240 3.229 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.696 2.293 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.989 2.762 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.456 1.047 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.031 1.555 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.871 0.260 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.277 1.480 -7.571 1.00 0.00 H new ATOM 741 N ASN A 46 -0.997 0.773 -8.746 1.00 0.00 N ATOM 742 CA ASN A 46 -2.291 0.230 -9.072 1.00 0.00 C ATOM 743 C ASN A 46 -2.809 -0.236 -7.743 1.00 0.00 C ATOM 744 O ASN A 46 -2.184 -0.002 -6.711 1.00 0.00 O ATOM 745 CB ASN A 46 -2.241 -0.970 -10.051 1.00 0.00 C ATOM 746 CG ASN A 46 -1.623 -0.512 -11.379 1.00 0.00 C ATOM 747 OD1 ASN A 46 -2.167 0.377 -12.047 1.00 0.00 O ATOM 748 ND2 ASN A 46 -0.466 -1.134 -11.759 1.00 0.00 N ATOM 0 H ASN A 46 -0.343 0.070 -8.402 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.906 0.975 -9.577 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.652 -1.780 -9.622 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.245 -1.360 -10.219 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.008 -0.871 -12.632 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.061 -1.861 -11.170 1.00 0.00 H new ATOM 755 N GLU A 47 -3.978 -0.915 -7.731 1.00 0.00 N ATOM 756 CA GLU A 47 -4.490 -1.584 -6.556 1.00 0.00 C ATOM 757 C GLU A 47 -3.708 -2.844 -6.346 1.00 0.00 C ATOM 758 O GLU A 47 -3.345 -3.200 -5.229 1.00 0.00 O ATOM 759 CB GLU A 47 -5.980 -1.966 -6.692 1.00 0.00 C ATOM 760 CG GLU A 47 -6.825 -0.744 -7.076 1.00 0.00 C ATOM 761 CD GLU A 47 -8.294 -0.966 -6.725 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.602 -1.071 -5.507 1.00 0.00 O ATOM 763 OE2 GLU A 47 -9.130 -1.021 -7.666 1.00 0.00 O ATOM 0 H GLU A 47 -4.581 -1.003 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.392 -0.894 -5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.093 -2.743 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.341 -2.381 -5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.452 0.139 -6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.727 -0.550 -8.144 1.00 0.00 H new ATOM 770 N SER A 48 -3.443 -3.519 -7.484 1.00 0.00 N ATOM 771 CA SER A 48 -2.824 -4.819 -7.613 1.00 0.00 C ATOM 772 C SER A 48 -1.396 -4.848 -7.135 1.00 0.00 C ATOM 773 O SER A 48 -0.932 -5.881 -6.659 1.00 0.00 O ATOM 774 CB SER A 48 -2.824 -5.306 -9.080 1.00 0.00 C ATOM 775 OG SER A 48 -4.151 -5.377 -9.583 1.00 0.00 O ATOM 0 H SER A 48 -3.681 -3.125 -8.394 1.00 0.00 H new ATOM 0 HA SER A 48 -3.427 -5.474 -6.984 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.232 -4.627 -9.694 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.352 -6.287 -9.143 1.00 0.00 H new ATOM 0 HG SER A 48 -4.132 -5.685 -10.513 1.00 0.00 H new ATOM 781 N GLN A 49 -0.669 -3.708 -7.239 1.00 0.00 N ATOM 782 CA GLN A 49 0.705 -3.581 -6.820 1.00 0.00 C ATOM 783 C GLN A 49 0.818 -3.641 -5.323 1.00 0.00 C ATOM 784 O GLN A 49 1.783 -4.189 -4.794 1.00 0.00 O ATOM 785 CB GLN A 49 1.298 -2.223 -7.260 1.00 0.00 C ATOM 786 CG GLN A 49 1.455 -2.065 -8.783 1.00 0.00 C ATOM 787 CD GLN A 49 2.475 -3.084 -9.305 1.00 0.00 C ATOM 788 OE1 GLN A 49 3.652 -3.039 -8.928 1.00 0.00 O ATOM 789 NE2 GLN A 49 2.002 -4.016 -10.187 1.00 0.00 N ATOM 0 H GLN A 49 -1.051 -2.846 -7.628 1.00 0.00 H new ATOM 0 HA GLN A 49 1.248 -4.405 -7.283 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.659 -1.423 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.274 -2.096 -6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.494 -2.213 -9.275 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.782 -1.053 -9.022 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.020 -4.005 -10.463 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.631 -4.722 -10.569 1.00 0.00 H new ATOM 798 N ILE A 50 -0.181 -3.073 -4.609 1.00 0.00 N ATOM 799 CA ILE A 50 -0.166 -2.964 -3.174 1.00 0.00 C ATOM 800 C ILE A 50 -0.667 -4.249 -2.567 1.00 0.00 C ATOM 801 O ILE A 50 -0.348 -4.545 -1.424 1.00 0.00 O ATOM 802 CB ILE A 50 -0.995 -1.805 -2.634 1.00 0.00 C ATOM 803 CG1 ILE A 50 -1.079 -0.667 -3.675 1.00 0.00 C ATOM 804 CG2 ILE A 50 -0.340 -1.336 -1.312 1.00 0.00 C ATOM 805 CD1 ILE A 50 -1.876 0.534 -3.182 1.00 0.00 C ATOM 0 H ILE A 50 -1.018 -2.680 -5.039 1.00 0.00 H new ATOM 0 HA ILE A 50 0.869 -2.768 -2.894 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.020 -2.119 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.071 -0.345 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.536 -1.050 -4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.911 -0.505 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.330 -2.160 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.682 -1.013 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.899 1.299 -3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.895 0.224 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.406 0.940 -2.286 1.00 0.00 H new ATOM 817 N LYS A 51 -1.449 -5.061 -3.319 1.00 0.00 N ATOM 818 CA LYS A 51 -1.963 -6.331 -2.861 1.00 0.00 C ATOM 819 C LYS A 51 -0.855 -7.349 -2.759 1.00 0.00 C ATOM 820 O LYS A 51 -0.876 -8.194 -1.869 1.00 0.00 O ATOM 821 CB LYS A 51 -3.068 -6.863 -3.797 1.00 0.00 C ATOM 822 CG LYS A 51 -4.376 -6.064 -3.670 1.00 0.00 C ATOM 823 CD LYS A 51 -5.458 -6.451 -4.693 1.00 0.00 C ATOM 824 CE LYS A 51 -6.049 -7.857 -4.508 1.00 0.00 C ATOM 825 NZ LYS A 51 -6.722 -7.994 -3.195 1.00 0.00 N ATOM 0 H LYS A 51 -1.732 -4.829 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.395 -6.169 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.718 -6.821 -4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.261 -7.911 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.776 -6.203 -2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.152 -5.003 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.267 -5.722 -4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.033 -6.380 -5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.762 -8.061 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.256 -8.600 -4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.225 -8.904 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.012 -7.958 -2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.402 -7.217 -3.071 1.00 0.00 H new ATOM 839 N ILE A 52 0.163 -7.252 -3.648 1.00 0.00 N ATOM 840 CA ILE A 52 1.383 -8.015 -3.648 1.00 0.00 C ATOM 841 C ILE A 52 2.221 -7.618 -2.463 1.00 0.00 C ATOM 842 O ILE A 52 2.782 -8.466 -1.773 1.00 0.00 O ATOM 843 CB ILE A 52 2.103 -7.744 -4.965 1.00 0.00 C ATOM 844 CG1 ILE A 52 1.321 -8.420 -6.118 1.00 0.00 C ATOM 845 CG2 ILE A 52 3.582 -8.164 -4.892 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.844 -8.075 -7.516 1.00 0.00 C ATOM 0 H ILE A 52 0.128 -6.590 -4.423 1.00 0.00 H new ATOM 0 HA ILE A 52 1.184 -9.083 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 52 2.123 -6.673 -5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.360 -9.501 -5.984 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.273 -8.128 -6.052 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.066 -7.958 -5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.081 -7.602 -4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.647 -9.230 -4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.243 -8.588 -8.266 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.779 -6.998 -7.673 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.883 -8.393 -7.604 1.00 0.00 H new ATOM 858 N TRP A 53 2.290 -6.297 -2.202 1.00 0.00 N ATOM 859 CA TRP A 53 2.979 -5.688 -1.088 1.00 0.00 C ATOM 860 C TRP A 53 2.389 -6.105 0.245 1.00 0.00 C ATOM 861 O TRP A 53 3.108 -6.193 1.234 1.00 0.00 O ATOM 862 CB TRP A 53 2.943 -4.142 -1.217 1.00 0.00 C ATOM 863 CG TRP A 53 3.847 -3.363 -0.287 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.152 -3.007 -0.478 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.452 -2.805 0.981 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.595 -2.255 0.582 1.00 0.00 N ATOM 867 CE2 TRP A 53 4.569 -2.107 1.482 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.252 -2.850 1.691 1.00 0.00 C ATOM 869 CZ2 TRP A 53 4.510 -1.433 2.691 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.204 -2.200 2.934 1.00 0.00 C ATOM 871 CH2 TRP A 53 3.318 -1.505 3.425 1.00 0.00 C ATOM 0 H TRP A 53 1.839 -5.607 -2.803 1.00 0.00 H new ATOM 0 HA TRP A 53 4.012 -6.036 -1.117 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.202 -3.880 -2.243 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.918 -3.810 -1.052 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.748 -3.277 -1.337 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.534 -1.869 0.684 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.389 -3.367 1.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.356 -0.870 3.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.297 -2.236 3.520 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.257 -1.016 4.386 1.00 0.00 H new ATOM 882 N PHE A 54 1.065 -6.391 0.301 1.00 0.00 N ATOM 883 CA PHE A 54 0.381 -6.816 1.495 1.00 0.00 C ATOM 884 C PHE A 54 0.610 -8.283 1.731 1.00 0.00 C ATOM 885 O PHE A 54 0.618 -8.716 2.878 1.00 0.00 O ATOM 886 CB PHE A 54 -1.149 -6.571 1.421 1.00 0.00 C ATOM 887 CG PHE A 54 -1.487 -5.139 1.753 1.00 0.00 C ATOM 888 CD1 PHE A 54 -1.106 -4.592 2.994 1.00 0.00 C ATOM 889 CD2 PHE A 54 -2.209 -4.332 0.856 1.00 0.00 C ATOM 890 CE1 PHE A 54 -1.405 -3.262 3.309 1.00 0.00 C ATOM 891 CE2 PHE A 54 -2.489 -2.997 1.162 1.00 0.00 C ATOM 892 CZ PHE A 54 -2.085 -2.461 2.388 1.00 0.00 C ATOM 0 H PHE A 54 0.452 -6.324 -0.512 1.00 0.00 H new ATOM 0 HA PHE A 54 0.789 -6.222 2.313 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.511 -6.811 0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.661 -7.239 2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.578 -5.205 3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.551 -4.748 -0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.110 -2.854 4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.018 -2.380 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.298 -1.429 2.623 1.00 0.00 H new ATOM 902 N GLN A 55 0.837 -9.090 0.669 1.00 0.00 N ATOM 903 CA GLN A 55 1.147 -10.494 0.794 1.00 0.00 C ATOM 904 C GLN A 55 2.543 -10.685 1.324 1.00 0.00 C ATOM 905 O GLN A 55 2.828 -11.685 1.978 1.00 0.00 O ATOM 906 CB GLN A 55 1.023 -11.226 -0.559 1.00 0.00 C ATOM 907 CG GLN A 55 -0.439 -11.424 -0.994 1.00 0.00 C ATOM 908 CD GLN A 55 -0.469 -11.996 -2.416 1.00 0.00 C ATOM 909 OE1 GLN A 55 -0.108 -13.159 -2.633 1.00 0.00 O ATOM 910 NE2 GLN A 55 -0.907 -11.152 -3.400 1.00 0.00 N ATOM 0 H GLN A 55 0.805 -8.763 -0.297 1.00 0.00 H new ATOM 0 HA GLN A 55 0.425 -10.918 1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.552 -10.658 -1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.512 -12.198 -0.488 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.947 -12.100 -0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.973 -10.474 -0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.193 -10.201 -3.166 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.947 -11.474 -4.367 1.00 0.00 H new ATOM 919 N ASN A 56 3.434 -9.700 1.072 1.00 0.00 N ATOM 920 CA ASN A 56 4.794 -9.682 1.543 1.00 0.00 C ATOM 921 C ASN A 56 4.831 -9.326 3.009 1.00 0.00 C ATOM 922 O ASN A 56 5.354 -10.089 3.819 1.00 0.00 O ATOM 923 CB ASN A 56 5.638 -8.634 0.774 1.00 0.00 C ATOM 924 CG ASN A 56 5.781 -9.011 -0.710 1.00 0.00 C ATOM 925 OD1 ASN A 56 5.606 -10.170 -1.104 1.00 0.00 O ATOM 926 ND2 ASN A 56 6.120 -7.982 -1.546 1.00 0.00 N ATOM 0 H ASN A 56 3.196 -8.879 0.515 1.00 0.00 H new ATOM 0 HA ASN A 56 5.209 -10.676 1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.169 -7.654 0.859 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.626 -8.555 1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.240 -8.154 -2.544 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.253 -7.043 -1.171 1.00 0.00 H new ATOM 933 N LYS A 57 4.272 -8.146 3.373 1.00 0.00 N ATOM 934 CA LYS A 57 4.338 -7.556 4.694 1.00 0.00 C ATOM 935 C LYS A 57 3.598 -8.354 5.737 1.00 0.00 C ATOM 936 O LYS A 57 4.092 -8.505 6.852 1.00 0.00 O ATOM 937 CB LYS A 57 3.791 -6.106 4.708 1.00 0.00 C ATOM 938 CG LYS A 57 4.826 -4.974 4.531 1.00 0.00 C ATOM 939 CD LYS A 57 5.667 -4.975 3.245 1.00 0.00 C ATOM 940 CE LYS A 57 6.996 -5.728 3.375 1.00 0.00 C ATOM 941 NZ LYS A 57 7.791 -5.626 2.130 1.00 0.00 N ATOM 0 H LYS A 57 3.746 -7.572 2.714 1.00 0.00 H new ATOM 0 HA LYS A 57 5.399 -7.555 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.048 -6.015 3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.271 -5.947 5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.296 -4.023 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.509 -5.008 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.083 -5.423 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.871 -3.944 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.568 -5.322 4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.803 -6.776 3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.231 -6.545 1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.169 -5.354 1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.533 -4.907 2.250 1.00 0.00 H new ATOM 955 N ARG A 58 2.400 -8.881 5.403 1.00 0.00 N ATOM 956 CA ARG A 58 1.567 -9.601 6.343 1.00 0.00 C ATOM 957 C ARG A 58 2.066 -11.002 6.576 1.00 0.00 C ATOM 958 O ARG A 58 1.705 -11.615 7.578 1.00 0.00 O ATOM 959 CB ARG A 58 0.105 -9.721 5.870 1.00 0.00 C ATOM 960 CG ARG A 58 -0.632 -8.374 5.809 1.00 0.00 C ATOM 961 CD ARG A 58 -2.051 -8.527 5.246 1.00 0.00 C ATOM 962 NE ARG A 58 -2.680 -7.171 5.119 1.00 0.00 N ATOM 963 CZ ARG A 58 -3.730 -6.927 4.276 1.00 0.00 C ATOM 964 NH1 ARG A 58 -4.279 -7.927 3.525 1.00 0.00 N ATOM 965 NH2 ARG A 58 -4.235 -5.664 4.178 1.00 0.00 N ATOM 0 H ARG A 58 1.998 -8.810 4.468 1.00 0.00 H new ATOM 0 HA ARG A 58 1.615 -9.015 7.261 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.088 -10.181 4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.432 -10.390 6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.682 -7.941 6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.067 -7.678 5.188 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.018 -9.018 4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.649 -9.159 5.902 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.312 -6.404 5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.907 -8.875 3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.061 -7.726 2.902 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.830 -4.909 4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.018 -5.475 3.552 1.00 0.00 H new ATOM 979 N ALA A 59 2.911 -11.536 5.663 1.00 0.00 N ATOM 980 CA ALA A 59 3.516 -12.844 5.787 1.00 0.00 C ATOM 981 C ALA A 59 4.714 -12.819 6.706 1.00 0.00 C ATOM 982 O ALA A 59 5.129 -13.860 7.208 1.00 0.00 O ATOM 983 CB ALA A 59 3.988 -13.408 4.435 1.00 0.00 C ATOM 0 H ALA A 59 3.184 -11.045 4.811 1.00 0.00 H new ATOM 0 HA ALA A 59 2.732 -13.481 6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.434 -14.391 4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.137 -13.496 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.728 -12.737 3.999 1.00 0.00 H new ATOM 989 N LYS A 60 5.296 -11.625 6.971 1.00 0.00 N ATOM 990 CA LYS A 60 6.388 -11.468 7.906 1.00 0.00 C ATOM 991 C LYS A 60 5.852 -11.491 9.314 1.00 0.00 C ATOM 992 O LYS A 60 6.502 -12.005 10.225 1.00 0.00 O ATOM 993 CB LYS A 60 7.131 -10.137 7.682 1.00 0.00 C ATOM 994 CG LYS A 60 7.865 -10.100 6.333 1.00 0.00 C ATOM 995 CD LYS A 60 8.274 -8.680 5.927 1.00 0.00 C ATOM 996 CE LYS A 60 9.120 -8.620 4.647 1.00 0.00 C ATOM 997 NZ LYS A 60 8.389 -9.147 3.472 1.00 0.00 N ATOM 0 H LYS A 60 5.005 -10.752 6.530 1.00 0.00 H new ATOM 0 HA LYS A 60 7.086 -12.290 7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.419 -9.313 7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.849 -9.984 8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.754 -10.729 6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.222 -10.524 5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.375 -8.080 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.835 -8.226 6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.416 -7.588 4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.036 -9.193 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.861 -10.007 3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.411 -9.374 3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.381 -8.430 2.718 1.00 0.00 H new ATOM 1011 N ILE A 61 4.624 -10.951 9.503 1.00 0.00 N ATOM 1012 CA ILE A 61 3.916 -10.917 10.755 1.00 0.00 C ATOM 1013 C ILE A 61 3.166 -12.228 10.813 1.00 0.00 C ATOM 1014 O ILE A 61 2.836 -12.809 9.782 1.00 0.00 O ATOM 1015 CB ILE A 61 2.955 -9.725 10.843 1.00 0.00 C ATOM 1016 CG1 ILE A 61 3.652 -8.408 10.400 1.00 0.00 C ATOM 1017 CG2 ILE A 61 2.393 -9.594 12.280 1.00 0.00 C ATOM 1018 CD1 ILE A 61 2.696 -7.215 10.283 1.00 0.00 C ATOM 0 H ILE A 61 4.100 -10.517 8.743 1.00 0.00 H new ATOM 0 HA ILE A 61 4.600 -10.794 11.595 1.00 0.00 H new ATOM 0 HB ILE A 61 2.125 -9.905 10.160 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.437 -8.164 11.115 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.137 -8.570 9.437 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.712 -8.744 12.328 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.856 -10.505 12.545 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.215 -9.441 12.980 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.253 -6.332 9.970 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.925 -7.438 9.546 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.230 -7.026 11.250 1.00 0.00 H new ATOM 1030 N LYS A 62 2.907 -12.741 12.034 1.00 0.00 N ATOM 1031 CA LYS A 62 2.134 -13.941 12.246 1.00 0.00 C ATOM 1032 C LYS A 62 0.727 -13.486 12.517 1.00 0.00 C ATOM 1033 O LYS A 62 0.306 -13.360 13.666 1.00 0.00 O ATOM 1034 CB LYS A 62 2.642 -14.826 13.411 1.00 0.00 C ATOM 1035 CG LYS A 62 3.850 -15.721 13.057 1.00 0.00 C ATOM 1036 CD LYS A 62 5.166 -14.983 12.759 1.00 0.00 C ATOM 1037 CE LYS A 62 6.352 -15.918 12.476 1.00 0.00 C ATOM 1038 NZ LYS A 62 6.693 -16.741 13.662 1.00 0.00 N ATOM 0 H LYS A 62 3.241 -12.314 12.898 1.00 0.00 H new ATOM 0 HA LYS A 62 2.215 -14.574 11.362 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.916 -14.182 14.247 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.824 -15.460 13.752 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.021 -16.411 13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.589 -16.324 12.187 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.018 -14.329 11.900 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.413 -14.344 13.607 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.110 -16.570 11.637 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.219 -15.328 12.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.586 -17.246 13.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.799 -16.125 14.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.934 -17.430 13.836 1.00 0.00 H new ATOM 1052 N LYS A 63 -0.021 -13.220 11.420 1.00 0.00 N ATOM 1053 CA LYS A 63 -1.391 -12.773 11.449 1.00 0.00 C ATOM 1054 C LYS A 63 -2.256 -13.959 11.133 1.00 0.00 C ATOM 1055 O LYS A 63 -2.713 -14.662 12.032 1.00 0.00 O ATOM 1056 CB LYS A 63 -1.658 -11.652 10.415 1.00 0.00 C ATOM 1057 CG LYS A 63 -1.016 -10.313 10.807 1.00 0.00 C ATOM 1058 CD LYS A 63 -1.103 -9.230 9.715 1.00 0.00 C ATOM 1059 CE LYS A 63 -2.524 -8.906 9.229 1.00 0.00 C ATOM 1060 NZ LYS A 63 -3.391 -8.449 10.341 1.00 0.00 N ATOM 0 H LYS A 63 0.344 -13.321 10.473 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.612 -12.361 12.434 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.275 -11.962 9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.734 -11.515 10.305 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.499 -9.942 11.711 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.032 -10.483 11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.649 -8.315 10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.508 -9.550 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.479 -8.134 8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.961 -9.791 8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.342 -8.239 9.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.454 -9.196 11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.986 -7.590 10.766 1.00 0.00 H new ATOM 1074 N ALA A 64 -2.502 -14.187 9.825 1.00 0.00 N ATOM 1075 CA ALA A 64 -3.339 -15.239 9.318 1.00 0.00 C ATOM 1076 C ALA A 64 -2.702 -15.716 8.046 1.00 0.00 C ATOM 1077 O ALA A 64 -2.909 -16.855 7.630 1.00 0.00 O ATOM 1078 CB ALA A 64 -4.760 -14.746 8.987 1.00 0.00 C ATOM 0 H ALA A 64 -2.098 -13.611 9.086 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.429 -16.020 10.073 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.354 -15.577 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.226 -14.348 9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.706 -13.963 8.231 1.00 0.00 H new ATOM 1084 N THR A 65 -1.892 -14.832 7.408 1.00 0.00 N ATOM 1085 CA THR A 65 -1.195 -15.066 6.164 1.00 0.00 C ATOM 1086 C THR A 65 -0.109 -16.082 6.407 1.00 0.00 C ATOM 1087 O THR A 65 -0.007 -17.074 5.687 1.00 0.00 O ATOM 1088 CB THR A 65 -0.593 -13.783 5.608 1.00 0.00 C ATOM 1089 OG1 THR A 65 -1.612 -12.800 5.460 1.00 0.00 O ATOM 1090 CG2 THR A 65 0.070 -14.023 4.235 1.00 0.00 C ATOM 0 H THR A 65 -1.714 -13.900 7.783 1.00 0.00 H new ATOM 0 HA THR A 65 -1.907 -15.437 5.426 1.00 0.00 H new ATOM 0 HB THR A 65 0.168 -13.440 6.309 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.221 -11.975 5.104 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.490 -13.088 3.865 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.865 -14.762 4.339 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.676 -14.389 3.530 1.00 0.00 H new ATOM 1098 N GLN A 66 0.705 -15.860 7.468 1.00 0.00 N ATOM 1099 CA GLN A 66 1.737 -16.775 7.884 1.00 0.00 C ATOM 1100 C GLN A 66 1.110 -17.810 8.777 1.00 0.00 C ATOM 1101 O GLN A 66 0.898 -18.945 8.351 1.00 0.00 O ATOM 1102 CB GLN A 66 2.890 -16.046 8.616 1.00 0.00 C ATOM 1103 CG GLN A 66 4.059 -16.937 9.087 1.00 0.00 C ATOM 1104 CD GLN A 66 4.658 -17.733 7.920 1.00 0.00 C ATOM 1105 OE1 GLN A 66 4.541 -18.964 7.879 1.00 0.00 O ATOM 1106 NE2 GLN A 66 5.313 -17.009 6.963 1.00 0.00 N ATOM 0 H GLN A 66 0.643 -15.024 8.050 1.00 0.00 H new ATOM 0 HA GLN A 66 2.176 -17.247 7.005 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.288 -15.278 7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.477 -15.533 9.484 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.832 -16.317 9.542 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.708 -17.624 9.857 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.379 -15.995 7.047 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.735 -17.483 6.165 1.00 0.00 H new ATOM 1115 N ALA A 67 0.795 -17.433 10.036 1.00 0.00 N ATOM 1116 CA ALA A 67 0.217 -18.332 11.000 1.00 0.00 C ATOM 1117 C ALA A 67 -0.825 -17.530 11.779 1.00 0.00 C ATOM 1118 O ALA A 67 -2.037 -17.856 11.659 1.00 0.00 O ATOM 1119 CB ALA A 67 1.257 -18.890 11.992 1.00 0.00 C ATOM 1120 OXT ALA A 67 -0.425 -16.583 12.508 1.00 0.00 O ATOM 0 H ALA A 67 0.944 -16.489 10.391 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.211 -19.186 10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.765 -19.562 12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.025 -19.437 11.445 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.717 -18.067 12.538 1.00 0.00 H new TER 1126 ALA A 67