USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 489 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 NoAdj-H: A 1 ARG H1 : A 1 ARG N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 ARG H3 : A 1 ARG N : cyclic :(NH2R) USER MOD Set 1.1: A 25 THR OG1 : rot 180:sc= -1.13 USER MOD Set 1.2: A 27 SER OG : rot -55:sc=0.000996 USER MOD Single : A 1 ARG N :NH3+ -98:sc= -10.4! (180deg=-16.3!) USER MOD Single : A 4 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.11) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -150:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.525 X(o=-0.53,f=-0.055) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 58:sc= 0.269 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -105:sc= -0.788 (180deg=-3.15!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 15.532 -3.297 23.443 1.00 99.99 N ATOM 2 CA ARG A 1 16.859 -2.858 23.827 1.00 0.00 C ATOM 3 C ARG A 1 17.059 -1.395 23.444 1.00 0.00 C ATOM 4 O ARG A 1 17.485 -0.581 24.262 1.00 0.00 O ATOM 5 CB ARG A 1 15.386 -3.244 23.684 1.00 0.00 C ATOM 6 CG ARG A 1 15.049 -3.874 22.343 1.00 0.00 C ATOM 7 CD ARG A 1 13.771 -4.694 22.417 1.00 0.00 C ATOM 8 NE ARG A 1 12.667 -3.935 23.001 1.00 0.00 N ATOM 9 CZ ARG A 1 11.386 -4.265 22.863 1.00 0.00 C ATOM 10 NH1 ARG A 1 11.040 -5.338 22.163 1.00 0.00 N ATOM 11 NH2 ARG A 1 10.444 -3.520 23.428 1.00 0.00 N ATOM 0 H2 ARG A 1 14.900 -3.253 24.267 1.00 99.99 H new ATOM 0 HA ARG A 1 17.865 -3.090 24.178 1.00 0.00 H new ATOM 0 HB2 ARG A 1 15.123 -3.941 24.480 1.00 0.00 H new ATOM 0 HB3 ARG A 1 14.771 -2.355 23.823 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.938 -3.093 21.591 1.00 0.00 H new ATOM 0 HG3 ARG A 1 15.873 -4.511 22.022 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.494 -5.025 21.416 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.949 -5.590 23.011 1.00 0.00 H new ATOM 0 HE ARG A 1 12.892 -3.103 23.547 1.00 0.00 H new ATOM 0 HH11 ARG A 1 11.758 -5.916 21.727 1.00 0.00 H new ATOM 0 HH12 ARG A 1 10.056 -5.585 22.061 1.00 0.00 H new ATOM 0 HH21 ARG A 1 10.702 -2.694 23.968 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.462 -3.773 23.322 1.00 0.00 H new ATOM 27 N ARG A 2 16.747 -1.069 22.193 1.00 0.00 N ATOM 28 CA ARG A 2 16.892 0.295 21.700 1.00 0.00 C ATOM 29 C ARG A 2 18.346 0.750 21.776 1.00 0.00 C ATOM 30 O ARG A 2 19.213 0.013 22.249 1.00 0.00 O ATOM 31 CB ARG A 2 16.005 1.248 22.505 1.00 0.00 C ATOM 32 CG ARG A 2 14.601 0.716 22.747 1.00 0.00 C ATOM 33 CD ARG A 2 14.291 0.604 24.232 1.00 0.00 C ATOM 34 NE ARG A 2 14.180 1.914 24.867 1.00 0.00 N ATOM 35 CZ ARG A 2 14.270 2.111 26.181 1.00 0.00 C ATOM 36 NH1 ARG A 2 14.472 1.087 27.000 1.00 0.00 N ATOM 37 NH2 ARG A 2 14.158 3.336 26.676 1.00 0.00 N ATOM 0 H ARG A 2 16.392 -1.731 21.503 1.00 0.00 H new ATOM 0 HA ARG A 2 16.579 0.312 20.656 1.00 0.00 H new ATOM 0 HB2 ARG A 2 16.479 1.448 23.466 1.00 0.00 H new ATOM 0 HB3 ARG A 2 15.938 2.200 21.979 1.00 0.00 H new ATOM 0 HG2 ARG A 2 13.875 1.376 22.272 1.00 0.00 H new ATOM 0 HG3 ARG A 2 14.497 -0.263 22.278 1.00 0.00 H new ATOM 0 HD2 ARG A 2 13.359 0.055 24.368 1.00 0.00 H new ATOM 0 HD3 ARG A 2 15.075 0.028 24.724 1.00 0.00 H new ATOM 0 HE ARG A 2 14.024 2.726 24.269 1.00 0.00 H new ATOM 0 HH11 ARG A 2 14.559 0.143 26.624 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.540 1.244 28.006 1.00 0.00 H new ATOM 0 HH21 ARG A 2 14.003 4.127 26.050 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.227 3.488 27.682 1.00 0.00 H new ATOM 51 N ARG A 3 18.607 1.965 21.308 1.00 0.00 N ATOM 52 CA ARG A 3 19.957 2.517 21.324 1.00 0.00 C ATOM 53 C ARG A 3 19.928 4.033 21.153 1.00 0.00 C ATOM 54 O ARG A 3 19.496 4.543 20.119 1.00 0.00 O ATOM 55 CB ARG A 3 20.803 1.879 20.219 1.00 0.00 C ATOM 56 CG ARG A 3 22.060 1.196 20.733 1.00 0.00 C ATOM 57 CD ARG A 3 23.096 2.209 21.190 1.00 0.00 C ATOM 58 NE ARG A 3 24.445 1.647 21.197 1.00 0.00 N ATOM 59 CZ ARG A 3 24.866 0.741 22.076 1.00 0.00 C ATOM 60 NH1 ARG A 3 24.049 0.291 23.020 1.00 0.00 N ATOM 61 NH2 ARG A 3 26.108 0.281 22.010 1.00 0.00 N ATOM 0 H ARG A 3 17.902 2.587 20.913 1.00 0.00 H new ATOM 0 HA ARG A 3 20.406 2.290 22.291 1.00 0.00 H new ATOM 0 HB2 ARG A 3 20.196 1.149 19.684 1.00 0.00 H new ATOM 0 HB3 ARG A 3 21.085 2.648 19.500 1.00 0.00 H new ATOM 0 HG2 ARG A 3 21.804 0.536 21.562 1.00 0.00 H new ATOM 0 HG3 ARG A 3 22.483 0.571 19.947 1.00 0.00 H new ATOM 0 HD2 ARG A 3 23.069 3.078 20.532 1.00 0.00 H new ATOM 0 HD3 ARG A 3 22.844 2.559 22.191 1.00 0.00 H new ATOM 0 HE ARG A 3 25.102 1.968 20.486 1.00 0.00 H new ATOM 0 HH11 ARG A 3 23.092 0.640 23.075 1.00 0.00 H new ATOM 0 HH12 ARG A 3 24.378 -0.404 23.691 1.00 0.00 H new ATOM 0 HH21 ARG A 3 26.740 0.622 21.286 1.00 0.00 H new ATOM 0 HH22 ARG A 3 26.431 -0.413 22.684 1.00 0.00 H new ATOM 75 N HIS A 4 20.389 4.747 22.175 1.00 0.00 N ATOM 76 CA HIS A 4 20.417 6.205 22.140 1.00 0.00 C ATOM 77 C HIS A 4 21.258 6.706 20.975 1.00 0.00 C ATOM 78 O HIS A 4 22.475 6.851 21.089 1.00 0.00 O ATOM 79 CB HIS A 4 20.960 6.759 23.459 1.00 0.00 C ATOM 80 CG HIS A 4 19.921 7.433 24.299 1.00 0.00 C ATOM 81 ND1 HIS A 4 19.940 7.419 25.677 1.00 0.00 N ATOM 82 CD2 HIS A 4 18.823 8.146 23.947 1.00 0.00 C ATOM 83 CE1 HIS A 4 18.902 8.093 26.138 1.00 0.00 C ATOM 84 NE2 HIS A 4 18.209 8.545 25.109 1.00 0.00 N ATOM 0 H HIS A 4 20.748 4.339 23.038 1.00 0.00 H new ATOM 0 HA HIS A 4 19.396 6.559 22.002 1.00 0.00 H new ATOM 0 HB2 HIS A 4 21.404 5.944 24.030 1.00 0.00 H new ATOM 0 HB3 HIS A 4 21.758 7.469 23.244 1.00 0.00 H new ATOM 0 HD2 HIS A 4 18.493 8.360 22.941 1.00 0.00 H new ATOM 0 HE1 HIS A 4 18.661 8.248 27.179 1.00 0.00 H new ATOM 0 HE2 HIS A 4 17.356 9.101 25.168 1.00 0.00 H new ATOM 93 N ILE A 5 20.598 6.974 19.854 1.00 0.00 N ATOM 94 CA ILE A 5 21.279 7.465 18.668 1.00 0.00 C ATOM 95 C ILE A 5 20.725 8.817 18.245 1.00 0.00 C ATOM 96 O ILE A 5 19.531 9.087 18.378 1.00 0.00 O ATOM 97 CB ILE A 5 21.161 6.476 17.494 1.00 0.00 C ATOM 98 CG1 ILE A 5 21.919 6.995 16.270 1.00 0.00 C ATOM 99 CG2 ILE A 5 19.699 6.226 17.153 1.00 0.00 C ATOM 100 CD1 ILE A 5 23.422 6.978 16.439 1.00 0.00 C ATOM 0 H ILE A 5 19.591 6.858 19.744 1.00 0.00 H new ATOM 0 HA ILE A 5 22.332 7.571 18.928 1.00 0.00 H new ATOM 0 HB ILE A 5 21.611 5.530 17.796 1.00 0.00 H new ATOM 0 HG12 ILE A 5 21.652 6.390 15.404 1.00 0.00 H new ATOM 0 HG13 ILE A 5 21.597 8.014 16.058 1.00 0.00 H new ATOM 0 HG21 ILE A 5 19.634 5.525 16.321 1.00 0.00 H new ATOM 0 HG22 ILE A 5 19.189 5.808 18.021 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.225 7.167 16.872 1.00 0.00 H new ATOM 0 HD11 ILE A 5 23.894 7.359 15.533 1.00 0.00 H new ATOM 0 HD12 ILE A 5 23.700 7.606 17.285 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.756 5.956 16.620 1.00 0.00 H new ATOM 112 N VAL A 6 21.609 9.659 17.740 1.00 0.00 N ATOM 113 CA VAL A 6 21.235 10.995 17.292 1.00 0.00 C ATOM 114 C VAL A 6 20.800 11.865 18.466 1.00 0.00 C ATOM 115 O VAL A 6 20.017 11.434 19.314 1.00 0.00 O ATOM 116 CB VAL A 6 20.097 10.947 16.253 1.00 0.00 C ATOM 117 CG1 VAL A 6 19.823 12.334 15.692 1.00 0.00 C ATOM 118 CG2 VAL A 6 20.435 9.971 15.136 1.00 0.00 C ATOM 0 H VAL A 6 22.599 9.442 17.628 1.00 0.00 H new ATOM 0 HA VAL A 6 22.120 11.430 16.827 1.00 0.00 H new ATOM 0 HB VAL A 6 19.192 10.597 16.751 1.00 0.00 H new ATOM 0 HG11 VAL A 6 19.017 12.278 14.961 1.00 0.00 H new ATOM 0 HG12 VAL A 6 19.532 13.003 16.502 1.00 0.00 H new ATOM 0 HG13 VAL A 6 20.723 12.716 15.211 1.00 0.00 H new ATOM 0 HG21 VAL A 6 19.620 9.950 14.412 1.00 0.00 H new ATOM 0 HG22 VAL A 6 21.353 10.288 14.641 1.00 0.00 H new ATOM 0 HG23 VAL A 6 20.574 8.974 15.554 1.00 0.00 H new ATOM 128 N ARG A 7 21.310 13.091 18.510 1.00 0.00 N ATOM 129 CA ARG A 7 20.974 14.023 19.580 1.00 0.00 C ATOM 130 C ARG A 7 20.177 15.207 19.038 1.00 0.00 C ATOM 131 O ARG A 7 19.836 15.248 17.857 1.00 0.00 O ATOM 132 CB ARG A 7 22.248 14.518 20.271 1.00 0.00 C ATOM 133 CG ARG A 7 22.390 14.029 21.704 1.00 0.00 C ATOM 134 CD ARG A 7 22.358 12.512 21.780 1.00 0.00 C ATOM 135 NE ARG A 7 23.622 11.915 21.357 1.00 0.00 N ATOM 136 CZ ARG A 7 24.704 11.844 22.128 1.00 0.00 C ATOM 137 NH1 ARG A 7 24.681 12.331 23.363 1.00 0.00 N ATOM 138 NH2 ARG A 7 25.814 11.284 21.666 1.00 0.00 N ATOM 0 H ARG A 7 21.959 13.463 17.816 1.00 0.00 H new ATOM 0 HA ARG A 7 20.357 13.498 20.309 1.00 0.00 H new ATOM 0 HB2 ARG A 7 23.114 14.190 19.696 1.00 0.00 H new ATOM 0 HB3 ARG A 7 22.255 15.608 20.265 1.00 0.00 H new ATOM 0 HG2 ARG A 7 23.327 14.396 22.124 1.00 0.00 H new ATOM 0 HG3 ARG A 7 21.585 14.442 22.312 1.00 0.00 H new ATOM 0 HD2 ARG A 7 22.137 12.205 22.802 1.00 0.00 H new ATOM 0 HD3 ARG A 7 21.551 12.135 21.152 1.00 0.00 H new ATOM 0 HE ARG A 7 23.679 11.530 20.414 1.00 0.00 H new ATOM 0 HH11 ARG A 7 23.831 12.762 23.725 1.00 0.00 H new ATOM 0 HH12 ARG A 7 25.514 12.274 23.949 1.00 0.00 H new ATOM 0 HH21 ARG A 7 25.839 10.907 20.719 1.00 0.00 H new ATOM 0 HH22 ARG A 7 26.643 11.230 22.258 1.00 0.00 H new ATOM 152 N LYS A 8 19.884 16.166 19.910 1.00 0.00 N ATOM 153 CA LYS A 8 19.127 17.348 19.517 1.00 0.00 C ATOM 154 C LYS A 8 19.892 18.166 18.484 1.00 0.00 C ATOM 155 O LYS A 8 19.352 18.517 17.443 1.00 0.00 O ATOM 156 CB LYS A 8 18.812 18.209 20.742 1.00 0.00 C ATOM 157 CG LYS A 8 17.350 18.614 20.841 1.00 0.00 C ATOM 158 CD LYS A 8 17.157 19.776 21.803 1.00 0.00 C ATOM 159 CE LYS A 8 17.090 21.105 21.068 1.00 0.00 C ATOM 160 NZ LYS A 8 15.966 21.953 21.553 1.00 0.00 N ATOM 0 H LYS A 8 20.159 16.148 20.892 1.00 0.00 H new ATOM 0 HA LYS A 8 18.191 17.017 19.067 1.00 0.00 H new ATOM 0 HB2 LYS A 8 19.090 17.661 21.642 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.428 19.108 20.712 1.00 0.00 H new ATOM 0 HG2 LYS A 8 16.981 18.892 19.854 1.00 0.00 H new ATOM 0 HG3 LYS A 8 16.757 17.762 21.174 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.240 19.628 22.374 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.978 19.797 22.519 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.031 21.640 21.199 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.973 20.923 20.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.955 22.850 21.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.066 21.454 21.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.091 22.148 22.567 1.00 0.00 H new ATOM 174 N ARG A 9 21.155 18.453 18.773 1.00 0.00 N ATOM 175 CA ARG A 9 22.000 19.226 17.865 1.00 0.00 C ATOM 176 C ARG A 9 21.953 18.682 16.439 1.00 0.00 C ATOM 177 O ARG A 9 22.372 19.357 15.498 1.00 0.00 O ATOM 178 CB ARG A 9 23.445 19.238 18.369 1.00 0.00 C ATOM 179 CG ARG A 9 24.086 17.860 18.405 1.00 0.00 C ATOM 180 CD ARG A 9 24.215 17.336 19.827 1.00 0.00 C ATOM 181 NE ARG A 9 25.154 18.127 20.622 1.00 0.00 N ATOM 182 CZ ARG A 9 24.792 19.074 21.487 1.00 0.00 C ATOM 183 NH1 ARG A 9 23.511 19.367 21.673 1.00 0.00 N ATOM 184 NH2 ARG A 9 25.719 19.734 22.167 1.00 0.00 N ATOM 0 H ARG A 9 21.620 18.162 19.633 1.00 0.00 H new ATOM 0 HA ARG A 9 21.611 20.244 17.846 1.00 0.00 H new ATOM 0 HB2 ARG A 9 24.039 19.890 17.729 1.00 0.00 H new ATOM 0 HB3 ARG A 9 23.469 19.667 19.371 1.00 0.00 H new ATOM 0 HG2 ARG A 9 23.489 17.165 17.814 1.00 0.00 H new ATOM 0 HG3 ARG A 9 25.072 17.905 17.943 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.236 17.346 20.307 1.00 0.00 H new ATOM 0 HD3 ARG A 9 24.547 16.298 19.802 1.00 0.00 H new ATOM 0 HE ARG A 9 26.150 17.942 20.507 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.792 18.865 21.151 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.245 20.094 22.338 1.00 0.00 H new ATOM 0 HH21 ARG A 9 26.706 19.516 22.027 1.00 0.00 H new ATOM 0 HH22 ARG A 9 25.446 20.459 22.830 1.00 0.00 H new ATOM 198 N THR A 10 21.444 17.467 16.279 1.00 0.00 N ATOM 199 CA THR A 10 21.349 16.853 14.968 1.00 0.00 C ATOM 200 C THR A 10 20.141 17.371 14.192 1.00 0.00 C ATOM 201 O THR A 10 20.119 17.304 12.964 1.00 0.00 O ATOM 202 CB THR A 10 21.264 15.338 15.097 1.00 0.00 C ATOM 203 OG1 THR A 10 22.437 14.814 15.694 1.00 0.00 O ATOM 204 CG2 THR A 10 21.072 14.650 13.768 1.00 0.00 C ATOM 0 H THR A 10 21.092 16.890 17.043 1.00 0.00 H new ATOM 0 HA THR A 10 22.249 17.121 14.415 1.00 0.00 H new ATOM 0 HB THR A 10 20.393 15.144 15.723 1.00 0.00 H new ATOM 0 HG1 THR A 10 22.597 13.907 15.359 1.00 0.00 H new ATOM 0 HG21 THR A 10 21.018 13.572 13.921 1.00 0.00 H new ATOM 0 HG22 THR A 10 20.147 14.998 13.308 1.00 0.00 H new ATOM 0 HG23 THR A 10 21.912 14.882 13.113 1.00 0.00 H new ATOM 212 N LEU A 11 19.132 17.886 14.900 1.00 0.00 N ATOM 213 CA LEU A 11 17.937 18.406 14.233 1.00 0.00 C ATOM 214 C LEU A 11 18.328 19.330 13.086 1.00 0.00 C ATOM 215 O LEU A 11 17.592 19.481 12.111 1.00 0.00 O ATOM 216 CB LEU A 11 17.023 19.149 15.218 1.00 0.00 C ATOM 217 CG LEU A 11 17.705 20.196 16.105 1.00 0.00 C ATOM 218 CD1 LEU A 11 18.228 21.359 15.280 1.00 0.00 C ATOM 219 CD2 LEU A 11 16.742 20.687 17.174 1.00 0.00 C ATOM 0 H LEU A 11 19.118 17.953 15.918 1.00 0.00 H new ATOM 0 HA LEU A 11 17.384 17.555 13.834 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.233 19.641 14.650 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.541 18.413 15.862 1.00 0.00 H new ATOM 0 HG LEU A 11 18.559 19.725 16.592 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.706 22.085 15.937 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.954 20.993 14.554 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.399 21.835 14.756 1.00 0.00 H new ATOM 0 HD21 LEU A 11 17.239 21.430 17.797 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.870 21.136 16.699 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.426 19.847 17.793 1.00 0.00 H new ATOM 231 N ARG A 12 19.501 19.940 13.214 1.00 0.00 N ATOM 232 CA ARG A 12 20.010 20.846 12.197 1.00 0.00 C ATOM 233 C ARG A 12 20.177 20.138 10.855 1.00 0.00 C ATOM 234 O ARG A 12 20.214 20.780 9.807 1.00 0.00 O ATOM 235 CB ARG A 12 21.348 21.435 12.649 1.00 0.00 C ATOM 236 CG ARG A 12 21.405 22.951 12.567 1.00 0.00 C ATOM 237 CD ARG A 12 22.788 23.476 12.914 1.00 0.00 C ATOM 238 NE ARG A 12 23.130 24.669 12.142 1.00 0.00 N ATOM 239 CZ ARG A 12 24.369 25.142 12.019 1.00 0.00 C ATOM 240 NH1 ARG A 12 25.383 24.528 12.614 1.00 0.00 N ATOM 241 NH2 ARG A 12 24.592 26.233 11.299 1.00 0.00 N ATOM 0 H ARG A 12 20.118 19.821 14.017 1.00 0.00 H new ATOM 0 HA ARG A 12 19.285 21.649 12.065 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.542 21.128 13.677 1.00 0.00 H new ATOM 0 HB3 ARG A 12 22.145 21.016 12.035 1.00 0.00 H new ATOM 0 HG2 ARG A 12 21.135 23.272 11.561 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.670 23.381 13.248 1.00 0.00 H new ATOM 0 HD2 ARG A 12 22.831 23.708 13.978 1.00 0.00 H new ATOM 0 HD3 ARG A 12 23.529 22.698 12.727 1.00 0.00 H new ATOM 0 HE ARG A 12 22.376 25.168 11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 12 25.216 23.689 13.169 1.00 0.00 H new ATOM 0 HH12 ARG A 12 26.330 24.895 12.516 1.00 0.00 H new ATOM 0 HH21 ARG A 12 23.815 26.709 10.840 1.00 0.00 H new ATOM 0 HH22 ARG A 12 25.540 26.596 11.204 1.00 0.00 H new ATOM 255 N ARG A 13 20.273 18.813 10.893 1.00 0.00 N ATOM 256 CA ARG A 13 20.429 18.026 9.676 1.00 0.00 C ATOM 257 C ARG A 13 19.077 17.797 9.008 1.00 0.00 C ATOM 258 O ARG A 13 18.936 17.954 7.795 1.00 0.00 O ATOM 259 CB ARG A 13 21.093 16.684 9.990 1.00 0.00 C ATOM 260 CG ARG A 13 22.606 16.704 9.830 1.00 0.00 C ATOM 261 CD ARG A 13 23.229 15.372 10.220 1.00 0.00 C ATOM 262 NE ARG A 13 23.976 14.774 9.115 1.00 0.00 N ATOM 263 CZ ARG A 13 23.417 14.061 8.139 1.00 0.00 C ATOM 264 NH1 ARG A 13 22.106 13.850 8.127 1.00 0.00 N ATOM 265 NH2 ARG A 13 24.171 13.556 7.173 1.00 0.00 N ATOM 0 H ARG A 13 20.246 18.263 11.752 1.00 0.00 H new ATOM 0 HA ARG A 13 21.067 18.582 8.989 1.00 0.00 H new ATOM 0 HB2 ARG A 13 20.847 16.396 11.012 1.00 0.00 H new ATOM 0 HB3 ARG A 13 20.676 15.919 9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 13 22.860 16.936 8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 13 23.027 17.498 10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 13 23.895 15.518 11.071 1.00 0.00 H new ATOM 0 HD3 ARG A 13 22.446 14.686 10.542 1.00 0.00 H new ATOM 0 HE ARG A 13 24.986 14.911 9.090 1.00 0.00 H new ATOM 0 HH11 ARG A 13 21.521 14.235 8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 13 21.684 13.303 7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 13 25.179 13.714 7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 13 23.744 13.010 6.425 1.00 0.00 H new ATOM 279 N LEU A 14 18.086 17.429 9.813 1.00 0.00 N ATOM 280 CA LEU A 14 16.742 17.182 9.305 1.00 0.00 C ATOM 281 C LEU A 14 16.112 18.474 8.793 1.00 0.00 C ATOM 282 O LEU A 14 15.589 18.523 7.679 1.00 0.00 O ATOM 283 CB LEU A 14 15.864 16.571 10.399 1.00 0.00 C ATOM 284 CG LEU A 14 16.347 15.223 10.937 1.00 0.00 C ATOM 285 CD1 LEU A 14 15.969 15.065 12.402 1.00 0.00 C ATOM 286 CD2 LEU A 14 15.771 14.083 10.110 1.00 0.00 C ATOM 0 H LEU A 14 18.188 17.295 10.819 1.00 0.00 H new ATOM 0 HA LEU A 14 16.816 16.479 8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 14 15.801 17.275 11.229 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.854 16.448 10.007 1.00 0.00 H new ATOM 0 HG LEU A 14 17.434 15.191 10.859 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.321 14.100 12.767 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.429 15.863 12.985 1.00 0.00 H new ATOM 0 HD13 LEU A 14 14.885 15.119 12.506 1.00 0.00 H new ATOM 0 HD21 LEU A 14 16.125 13.131 10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 14 14.682 14.114 10.157 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.093 14.187 9.074 1.00 0.00 H new ATOM 298 N LEU A 15 16.167 19.518 9.614 1.00 0.00 N ATOM 299 CA LEU A 15 15.603 20.814 9.249 1.00 0.00 C ATOM 300 C LEU A 15 16.205 21.329 7.945 1.00 0.00 C ATOM 301 O LEU A 15 15.495 21.855 7.088 1.00 0.00 O ATOM 302 CB LEU A 15 15.839 21.828 10.369 1.00 0.00 C ATOM 303 CG LEU A 15 15.300 21.416 11.739 1.00 0.00 C ATOM 304 CD1 LEU A 15 15.934 22.254 12.837 1.00 0.00 C ATOM 305 CD2 LEU A 15 13.784 21.543 11.774 1.00 0.00 C ATOM 0 H LEU A 15 16.597 19.492 10.538 1.00 0.00 H new ATOM 0 HA LEU A 15 14.531 20.685 9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.911 22.007 10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 15 15.379 22.774 10.084 1.00 0.00 H new ATOM 0 HG LEU A 15 15.561 20.372 11.913 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.538 21.946 13.805 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.015 22.112 12.825 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.705 23.306 12.670 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.417 21.246 12.756 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.501 22.577 11.578 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.347 20.897 11.013 1.00 0.00 H new ATOM 317 N GLN A 16 17.518 21.181 7.804 1.00 0.00 N ATOM 318 CA GLN A 16 18.215 21.636 6.606 1.00 0.00 C ATOM 319 C GLN A 16 18.191 20.575 5.507 1.00 0.00 C ATOM 320 O GLN A 16 18.539 20.854 4.359 1.00 0.00 O ATOM 321 CB GLN A 16 19.661 22.001 6.942 1.00 0.00 C ATOM 322 CG GLN A 16 19.813 23.384 7.554 1.00 0.00 C ATOM 323 CD GLN A 16 21.089 24.078 7.117 1.00 0.00 C ATOM 324 OE1 GLN A 16 22.158 23.849 7.683 1.00 0.00 O ATOM 325 NE2 GLN A 16 20.981 24.930 6.105 1.00 0.00 N ATOM 0 H GLN A 16 18.121 20.750 8.504 1.00 0.00 H new ATOM 0 HA GLN A 16 17.694 22.519 6.236 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.062 21.261 7.634 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.261 21.947 6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.956 23.997 7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.804 23.299 8.641 1.00 0.00 H new ATOM 0 HE21 GLN A 16 20.074 25.088 5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 16 21.805 25.426 5.766 1.00 0.00 H new ATOM 334 N GLU A 17 17.779 19.359 5.857 1.00 0.00 N ATOM 335 CA GLU A 17 17.714 18.268 4.891 1.00 0.00 C ATOM 336 C GLU A 17 16.751 18.602 3.753 1.00 0.00 C ATOM 337 O GLU A 17 16.832 18.023 2.670 1.00 0.00 O ATOM 338 CB GLU A 17 17.279 16.972 5.582 1.00 0.00 C ATOM 339 CG GLU A 17 18.240 15.815 5.363 1.00 0.00 C ATOM 340 CD GLU A 17 18.434 15.487 3.896 1.00 0.00 C ATOM 341 OE1 GLU A 17 19.283 16.137 3.250 1.00 0.00 O ATOM 342 OE2 GLU A 17 17.737 14.581 3.393 1.00 0.00 O ATOM 0 H GLU A 17 17.486 19.106 6.801 1.00 0.00 H new ATOM 0 HA GLU A 17 18.710 18.130 4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 17 17.182 17.155 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 17 16.292 16.688 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 17 19.205 16.060 5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.865 14.933 5.882 1.00 0.00 H new ATOM 349 N ARG A 18 15.839 19.536 4.006 1.00 0.00 N ATOM 350 CA ARG A 18 14.861 19.944 3.006 1.00 0.00 C ATOM 351 C ARG A 18 15.546 20.503 1.762 1.00 0.00 C ATOM 352 O ARG A 18 15.010 20.417 0.657 1.00 0.00 O ATOM 353 CB ARG A 18 13.908 20.988 3.592 1.00 0.00 C ATOM 354 CG ARG A 18 14.594 22.288 3.983 1.00 0.00 C ATOM 355 CD ARG A 18 13.818 23.499 3.492 1.00 0.00 C ATOM 356 NE ARG A 18 12.582 23.700 4.246 1.00 0.00 N ATOM 357 CZ ARG A 18 11.901 24.843 4.264 1.00 0.00 C ATOM 358 NH1 ARG A 18 12.332 25.891 3.570 1.00 0.00 N ATOM 359 NH2 ARG A 18 10.786 24.941 4.975 1.00 0.00 N ATOM 0 H ARG A 18 15.758 20.025 4.898 1.00 0.00 H new ATOM 0 HA ARG A 18 14.290 19.062 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.127 21.204 2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.417 20.568 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.695 22.335 5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.602 22.308 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 18 14.443 24.388 3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.582 23.374 2.435 1.00 0.00 H new ATOM 0 HE ARG A 18 12.220 22.917 4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.188 25.821 3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.806 26.765 3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.450 24.140 5.509 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.265 25.818 4.988 1.00 0.00 H new ATOM 373 N GLU A 19 16.733 21.077 1.948 1.00 0.00 N ATOM 374 CA GLU A 19 17.493 21.654 0.843 1.00 0.00 C ATOM 375 C GLU A 19 16.778 22.874 0.270 1.00 0.00 C ATOM 376 O GLU A 19 17.221 24.008 0.450 1.00 0.00 O ATOM 377 CB GLU A 19 17.715 20.610 -0.258 1.00 0.00 C ATOM 378 CG GLU A 19 19.111 20.009 -0.252 1.00 0.00 C ATOM 379 CD GLU A 19 19.293 18.949 -1.320 1.00 0.00 C ATOM 380 OE1 GLU A 19 18.612 17.904 -1.243 1.00 0.00 O ATOM 381 OE2 GLU A 19 20.115 19.162 -2.235 1.00 0.00 O ATOM 0 H GLU A 19 17.190 21.155 2.857 1.00 0.00 H new ATOM 0 HA GLU A 19 18.462 21.971 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.983 19.810 -0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.531 21.072 -1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 19 19.844 20.801 -0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 19 19.310 19.572 0.726 1.00 0.00 H new ATOM 388 N LEU A 20 15.667 22.632 -0.418 1.00 0.00 N ATOM 389 CA LEU A 20 14.886 23.708 -1.017 1.00 0.00 C ATOM 390 C LEU A 20 13.394 23.410 -0.919 1.00 0.00 C ATOM 391 O LEU A 20 12.602 24.269 -0.530 1.00 0.00 O ATOM 392 CB LEU A 20 15.285 23.904 -2.482 1.00 0.00 C ATOM 393 CG LEU A 20 15.557 22.610 -3.258 1.00 0.00 C ATOM 394 CD1 LEU A 20 14.618 22.491 -4.450 1.00 0.00 C ATOM 395 CD2 LEU A 20 17.008 22.556 -3.714 1.00 0.00 C ATOM 0 H LEU A 20 15.287 21.699 -0.575 1.00 0.00 H new ATOM 0 HA LEU A 20 15.094 24.626 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.492 24.454 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.179 24.527 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 20 15.373 21.767 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.827 21.566 -4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 20 13.586 22.482 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 20 14.768 23.340 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.183 21.631 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.218 23.407 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.664 22.591 -2.844 1.00 0.00 H new ATOM 407 N VAL A 21 13.017 22.185 -1.272 1.00 0.00 N ATOM 408 CA VAL A 21 11.622 21.768 -1.222 1.00 0.00 C ATOM 409 C VAL A 21 11.511 20.279 -0.910 1.00 0.00 C ATOM 410 O VAL A 21 11.057 19.892 0.167 1.00 0.00 O ATOM 411 CB VAL A 21 10.899 22.062 -2.550 1.00 0.00 C ATOM 412 CG1 VAL A 21 9.408 21.783 -2.420 1.00 0.00 C ATOM 413 CG2 VAL A 21 11.144 23.499 -2.984 1.00 0.00 C ATOM 0 H VAL A 21 13.661 21.463 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 21 11.145 22.341 -0.427 1.00 0.00 H new ATOM 0 HB VAL A 21 11.303 21.401 -3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.914 21.996 -3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.255 20.736 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.986 22.417 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.626 23.689 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.769 24.179 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.213 23.661 -3.120 1.00 0.00 H new ATOM 423 N GLU A 22 11.934 19.448 -1.857 1.00 0.00 N ATOM 424 CA GLU A 22 11.886 18.001 -1.682 1.00 0.00 C ATOM 425 C GLU A 22 12.501 17.284 -2.884 1.00 0.00 C ATOM 426 O GLU A 22 11.879 16.399 -3.474 1.00 0.00 O ATOM 427 CB GLU A 22 10.441 17.539 -1.479 1.00 0.00 C ATOM 428 CG GLU A 22 10.293 16.437 -0.442 1.00 0.00 C ATOM 429 CD GLU A 22 8.895 15.852 -0.409 1.00 0.00 C ATOM 430 OE1 GLU A 22 8.450 15.318 -1.447 1.00 0.00 O ATOM 431 OE2 GLU A 22 8.244 15.929 0.654 1.00 0.00 O ATOM 0 H GLU A 22 12.314 19.752 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 22 12.469 17.748 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.834 18.393 -1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.044 17.186 -2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.010 15.644 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.540 16.834 0.543 1.00 0.00 H new ATOM 438 N PRO A 23 13.735 17.657 -3.268 1.00 0.00 N ATOM 439 CA PRO A 23 14.423 17.041 -4.407 1.00 0.00 C ATOM 440 C PRO A 23 14.730 15.564 -4.174 1.00 0.00 C ATOM 441 O PRO A 23 14.072 14.690 -4.737 1.00 0.00 O ATOM 442 CB PRO A 23 15.718 17.851 -4.537 1.00 0.00 C ATOM 443 CG PRO A 23 15.922 18.486 -3.203 1.00 0.00 C ATOM 444 CD PRO A 23 14.552 18.704 -2.626 1.00 0.00 C ATOM 0 HA PRO A 23 13.808 17.061 -5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.559 17.209 -4.799 1.00 0.00 H new ATOM 0 HB3 PRO A 23 15.634 18.603 -5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 23 16.520 17.845 -2.555 1.00 0.00 H new ATOM 0 HG3 PRO A 23 16.458 19.430 -3.300 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.553 18.603 -1.541 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.176 19.702 -2.852 1.00 0.00 H new ATOM 452 N LEU A 24 15.730 15.290 -3.342 1.00 0.00 N ATOM 453 CA LEU A 24 16.115 13.916 -3.039 1.00 0.00 C ATOM 454 C LEU A 24 16.123 13.672 -1.533 1.00 0.00 C ATOM 455 O LEU A 24 16.935 14.242 -0.805 1.00 0.00 O ATOM 456 CB LEU A 24 17.494 13.607 -3.627 1.00 0.00 C ATOM 457 CG LEU A 24 18.597 14.601 -3.261 1.00 0.00 C ATOM 458 CD1 LEU A 24 19.966 13.955 -3.402 1.00 0.00 C ATOM 459 CD2 LEU A 24 18.501 15.848 -4.128 1.00 0.00 C ATOM 0 H LEU A 24 16.287 16.000 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 24 15.379 13.251 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.798 12.614 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 24 17.408 13.569 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 24 18.463 14.896 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 24 20.738 14.677 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 24 20.032 13.094 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.111 13.630 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.294 16.544 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.608 15.571 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.532 16.323 -3.976 1.00 0.00 H new ATOM 471 N THR A 25 15.212 12.823 -1.073 1.00 0.00 N ATOM 472 CA THR A 25 15.112 12.502 0.347 1.00 0.00 C ATOM 473 C THR A 25 14.433 11.152 0.551 1.00 0.00 C ATOM 474 O THR A 25 13.604 10.735 -0.258 1.00 0.00 O ATOM 475 CB THR A 25 14.338 13.595 1.087 1.00 0.00 C ATOM 476 OG1 THR A 25 13.862 13.120 2.336 1.00 0.00 O ATOM 477 CG2 THR A 25 13.146 14.120 0.313 1.00 0.00 C ATOM 0 H THR A 25 14.531 12.344 -1.662 1.00 0.00 H new ATOM 0 HA THR A 25 16.122 12.446 0.754 1.00 0.00 H new ATOM 0 HB THR A 25 15.052 14.408 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.372 13.835 2.793 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.644 14.892 0.897 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.484 14.543 -0.633 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.451 13.303 0.117 1.00 0.00 H new ATOM 485 N PRO A 26 14.775 10.446 1.644 1.00 0.00 N ATOM 486 CA PRO A 26 14.196 9.137 1.953 1.00 0.00 C ATOM 487 C PRO A 26 12.802 9.247 2.567 1.00 0.00 C ATOM 488 O PRO A 26 12.528 8.667 3.617 1.00 0.00 O ATOM 489 CB PRO A 26 15.182 8.560 2.965 1.00 0.00 C ATOM 490 CG PRO A 26 15.726 9.752 3.674 1.00 0.00 C ATOM 491 CD PRO A 26 15.759 10.868 2.662 1.00 0.00 C ATOM 0 HA PRO A 26 14.062 8.524 1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.688 7.878 3.657 1.00 0.00 H new ATOM 0 HB3 PRO A 26 15.973 7.996 2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 26 15.099 10.018 4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 26 16.724 9.551 4.063 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.487 11.823 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.753 10.989 2.232 1.00 0.00 H new ATOM 499 N SER A 27 11.924 9.994 1.903 1.00 0.00 N ATOM 500 CA SER A 27 10.558 10.183 2.377 1.00 0.00 C ATOM 501 C SER A 27 9.767 11.056 1.409 1.00 0.00 C ATOM 502 O SER A 27 8.965 11.893 1.824 1.00 0.00 O ATOM 503 CB SER A 27 10.561 10.819 3.770 1.00 0.00 C ATOM 504 OG SER A 27 11.011 12.161 3.716 1.00 0.00 O ATOM 0 H SER A 27 12.136 10.480 1.032 1.00 0.00 H new ATOM 0 HA SER A 27 10.080 9.205 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.556 10.786 4.191 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.204 10.243 4.435 1.00 0.00 H new ATOM 0 HG SER A 27 11.893 12.193 3.291 1.00 0.00 H new ATOM 510 N GLY A 28 10.004 10.858 0.116 1.00 0.00 N ATOM 511 CA GLY A 28 9.311 11.640 -0.894 1.00 0.00 C ATOM 512 C GLY A 28 9.048 10.859 -2.169 1.00 0.00 C ATOM 513 O GLY A 28 8.052 11.098 -2.852 1.00 0.00 O ATOM 0 H GLY A 28 10.663 10.171 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.363 11.991 -0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.903 12.524 -1.131 1.00 0.00 H new ATOM 517 N GLU A 29 9.940 9.926 -2.495 1.00 0.00 N ATOM 518 CA GLU A 29 9.791 9.117 -3.699 1.00 0.00 C ATOM 519 C GLU A 29 8.997 7.840 -3.421 1.00 0.00 C ATOM 520 O GLU A 29 9.097 6.865 -4.164 1.00 0.00 O ATOM 521 CB GLU A 29 11.167 8.763 -4.270 1.00 0.00 C ATOM 522 CG GLU A 29 11.464 9.434 -5.602 1.00 0.00 C ATOM 523 CD GLU A 29 10.994 8.611 -6.786 1.00 0.00 C ATOM 524 OE1 GLU A 29 11.725 7.682 -7.190 1.00 0.00 O ATOM 525 OE2 GLU A 29 9.896 8.896 -7.309 1.00 0.00 O ATOM 0 H GLU A 29 10.771 9.713 -1.943 1.00 0.00 H new ATOM 0 HA GLU A 29 9.237 9.706 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.934 9.048 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.232 7.682 -4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.981 10.411 -5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.537 9.606 -5.687 1.00 0.00 H new ATOM 532 N ALA A 30 8.203 7.854 -2.352 1.00 0.00 N ATOM 533 CA ALA A 30 7.393 6.696 -1.992 1.00 0.00 C ATOM 534 C ALA A 30 6.192 7.104 -1.139 1.00 0.00 C ATOM 535 O ALA A 30 5.047 6.850 -1.512 1.00 0.00 O ATOM 536 CB ALA A 30 8.239 5.654 -1.272 1.00 0.00 C ATOM 0 H ALA A 30 8.105 8.651 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 30 7.011 6.254 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.617 4.797 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.049 5.329 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.657 6.089 -0.364 1.00 0.00 H new ATOM 542 N PRO A 31 6.429 7.748 0.021 1.00 0.00 N ATOM 543 CA PRO A 31 5.349 8.187 0.912 1.00 0.00 C ATOM 544 C PRO A 31 4.522 9.311 0.297 1.00 0.00 C ATOM 545 O PRO A 31 3.304 9.195 0.160 1.00 0.00 O ATOM 546 CB PRO A 31 6.080 8.690 2.167 1.00 0.00 C ATOM 547 CG PRO A 31 7.486 8.209 2.032 1.00 0.00 C ATOM 548 CD PRO A 31 7.750 8.104 0.560 1.00 0.00 C ATOM 0 HA PRO A 31 4.644 7.381 1.116 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.042 9.777 2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.617 8.299 3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.182 8.902 2.504 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.616 7.244 2.521 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.117 9.043 0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.498 7.343 0.336 1.00 0.00 H new ATOM 556 N ASN A 32 5.195 10.402 -0.062 1.00 0.00 N ATOM 557 CA ASN A 32 4.536 11.564 -0.658 1.00 0.00 C ATOM 558 C ASN A 32 3.494 11.151 -1.696 1.00 0.00 C ATOM 559 O ASN A 32 2.318 11.494 -1.576 1.00 0.00 O ATOM 560 CB ASN A 32 5.574 12.483 -1.303 1.00 0.00 C ATOM 561 CG ASN A 32 5.924 13.666 -0.422 1.00 0.00 C ATOM 562 OD1 ASN A 32 5.542 14.801 -0.706 1.00 0.00 O ATOM 563 ND2 ASN A 32 6.656 13.405 0.655 1.00 0.00 N ATOM 0 H ASN A 32 6.203 10.506 0.050 1.00 0.00 H new ATOM 0 HA ASN A 32 4.021 12.098 0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.478 11.912 -1.517 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.192 12.845 -2.258 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.923 14.161 1.285 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.951 12.449 0.852 1.00 0.00 H new ATOM 570 N GLN A 33 3.930 10.416 -2.713 1.00 0.00 N ATOM 571 CA GLN A 33 3.026 9.963 -3.766 1.00 0.00 C ATOM 572 C GLN A 33 1.909 9.100 -3.191 1.00 0.00 C ATOM 573 O GLN A 33 0.829 8.999 -3.772 1.00 0.00 O ATOM 574 CB GLN A 33 3.780 9.184 -4.840 1.00 0.00 C ATOM 575 CG GLN A 33 5.150 9.756 -5.171 1.00 0.00 C ATOM 576 CD GLN A 33 5.334 10.011 -6.654 1.00 0.00 C ATOM 577 OE1 GLN A 33 5.186 9.105 -7.474 1.00 0.00 O ATOM 578 NE2 GLN A 33 5.659 11.250 -7.006 1.00 0.00 N ATOM 0 H GLN A 33 4.899 10.122 -2.831 1.00 0.00 H new ATOM 0 HA GLN A 33 2.586 10.850 -4.223 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.898 8.152 -4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.178 9.161 -5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.291 10.689 -4.626 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.920 9.066 -4.827 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.771 11.970 -6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.796 11.481 -7.990 1.00 0.00 H new ATOM 587 N ALA A 34 2.164 8.496 -2.034 1.00 0.00 N ATOM 588 CA ALA A 34 1.167 7.667 -1.377 1.00 0.00 C ATOM 589 C ALA A 34 -0.002 8.534 -0.949 1.00 0.00 C ATOM 590 O ALA A 34 -1.144 8.292 -1.334 1.00 0.00 O ATOM 591 CB ALA A 34 1.772 6.949 -0.181 1.00 0.00 C ATOM 0 H ALA A 34 3.051 8.567 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 34 0.812 6.909 -2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.010 6.334 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.594 6.315 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.147 7.683 0.533 1.00 0.00 H new ATOM 597 N LEU A 35 0.303 9.571 -0.173 1.00 0.00 N ATOM 598 CA LEU A 35 -0.715 10.506 0.284 1.00 0.00 C ATOM 599 C LEU A 35 -1.224 11.328 -0.892 1.00 0.00 C ATOM 600 O LEU A 35 -2.359 11.804 -0.893 1.00 0.00 O ATOM 601 CB LEU A 35 -0.161 11.442 1.363 1.00 0.00 C ATOM 602 CG LEU A 35 0.980 10.869 2.204 1.00 0.00 C ATOM 603 CD1 LEU A 35 2.303 11.487 1.786 1.00 0.00 C ATOM 604 CD2 LEU A 35 0.723 11.102 3.687 1.00 0.00 C ATOM 0 H LEU A 35 1.247 9.783 0.151 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.535 9.932 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.188 12.356 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.976 11.723 2.030 1.00 0.00 H new ATOM 0 HG LEU A 35 1.031 9.794 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.107 11.070 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.491 11.268 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.262 12.567 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.546 10.687 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.646 12.172 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.208 10.614 3.976 1.00 0.00 H new ATOM 616 N LEU A 36 -0.360 11.498 -1.891 1.00 0.00 N ATOM 617 CA LEU A 36 -0.697 12.270 -3.076 1.00 0.00 C ATOM 618 C LEU A 36 -1.894 11.679 -3.818 1.00 0.00 C ATOM 619 O LEU A 36 -2.795 12.408 -4.217 1.00 0.00 O ATOM 620 CB LEU A 36 0.513 12.384 -4.008 1.00 0.00 C ATOM 621 CG LEU A 36 0.915 13.818 -4.369 1.00 0.00 C ATOM 622 CD1 LEU A 36 2.311 14.133 -3.853 1.00 0.00 C ATOM 623 CD2 LEU A 36 0.842 14.033 -5.875 1.00 0.00 C ATOM 0 H LEU A 36 0.582 11.108 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.979 13.269 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.364 11.891 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.298 11.840 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 36 0.211 14.499 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.576 15.156 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.331 14.025 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.028 13.444 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.131 15.057 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.519 13.341 -6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.177 13.855 -6.219 1.00 0.00 H new ATOM 635 N ARG A 37 -1.897 10.366 -4.045 1.00 0.00 N ATOM 636 CA ARG A 37 -2.993 9.744 -4.782 1.00 0.00 C ATOM 637 C ARG A 37 -3.945 8.958 -3.893 1.00 0.00 C ATOM 638 O ARG A 37 -5.049 8.643 -4.325 1.00 0.00 O ATOM 639 CB ARG A 37 -2.436 8.830 -5.875 1.00 0.00 C ATOM 640 CG ARG A 37 -1.504 7.748 -5.349 1.00 0.00 C ATOM 641 CD ARG A 37 -2.097 6.359 -5.530 1.00 0.00 C ATOM 642 NE ARG A 37 -1.966 5.547 -4.322 1.00 0.00 N ATOM 643 CZ ARG A 37 -0.836 4.954 -3.945 1.00 0.00 C ATOM 644 NH1 ARG A 37 0.264 5.078 -4.679 1.00 0.00 N ATOM 645 NH2 ARG A 37 -0.803 4.236 -2.831 1.00 0.00 N ATOM 0 H ARG A 37 -1.167 9.724 -3.736 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.570 10.556 -5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.266 8.358 -6.400 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.900 9.436 -6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.548 7.806 -5.869 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.303 7.923 -4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.150 6.446 -5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.599 5.857 -6.360 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.790 5.428 -3.733 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.245 5.630 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.127 4.621 -4.385 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.644 4.138 -2.262 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.063 3.782 -2.543 1.00 0.00 H new ATOM 659 N ILE A 38 -3.557 8.645 -2.661 1.00 0.00 N ATOM 660 CA ILE A 38 -4.456 7.897 -1.787 1.00 0.00 C ATOM 661 C ILE A 38 -5.590 8.776 -1.274 1.00 0.00 C ATOM 662 O ILE A 38 -6.758 8.408 -1.358 1.00 0.00 O ATOM 663 CB ILE A 38 -3.727 7.256 -0.588 1.00 0.00 C ATOM 664 CG1 ILE A 38 -4.670 6.306 0.150 1.00 0.00 C ATOM 665 CG2 ILE A 38 -3.202 8.321 0.358 1.00 0.00 C ATOM 666 CD1 ILE A 38 -4.066 4.947 0.424 1.00 0.00 C ATOM 0 H ILE A 38 -2.654 8.888 -2.253 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.866 7.095 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.876 6.689 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.964 6.761 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.578 6.179 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.692 7.845 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.503 8.967 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.034 8.918 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.791 4.326 0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.797 4.471 -0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.174 5.063 1.039 1.00 0.00 H new ATOM 678 N LEU A 39 -5.248 9.945 -0.754 1.00 0.00 N ATOM 679 CA LEU A 39 -6.252 10.865 -0.241 1.00 0.00 C ATOM 680 C LEU A 39 -7.206 11.295 -1.348 1.00 0.00 C ATOM 681 O LEU A 39 -8.317 11.741 -1.079 1.00 0.00 O ATOM 682 CB LEU A 39 -5.581 12.092 0.379 1.00 0.00 C ATOM 683 CG LEU A 39 -5.288 11.983 1.876 1.00 0.00 C ATOM 684 CD1 LEU A 39 -4.673 13.274 2.394 1.00 0.00 C ATOM 685 CD2 LEU A 39 -6.558 11.649 2.643 1.00 0.00 C ATOM 0 H LEU A 39 -4.287 10.278 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.826 10.349 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.644 12.279 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.219 12.960 0.212 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.571 11.176 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.471 13.178 3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.741 13.471 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.366 14.099 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.332 11.575 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.297 12.434 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.957 10.698 2.290 1.00 0.00 H new ATOM 697 N LYS A 40 -6.756 11.175 -2.594 1.00 0.00 N ATOM 698 CA LYS A 40 -7.563 11.568 -3.742 1.00 0.00 C ATOM 699 C LYS A 40 -8.248 10.370 -4.385 1.00 0.00 C ATOM 700 O LYS A 40 -9.408 10.448 -4.788 1.00 0.00 O ATOM 701 CB LYS A 40 -6.690 12.280 -4.773 1.00 0.00 C ATOM 702 CG LYS A 40 -6.373 13.720 -4.409 1.00 0.00 C ATOM 703 CD LYS A 40 -5.725 13.831 -3.034 1.00 0.00 C ATOM 704 CE LYS A 40 -4.272 14.257 -3.132 1.00 0.00 C ATOM 705 NZ LYS A 40 -4.059 15.635 -2.610 1.00 0.00 N ATOM 0 H LYS A 40 -5.835 10.808 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.339 12.246 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.757 11.729 -4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.194 12.261 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.707 14.146 -5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.290 14.309 -4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.276 14.551 -2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.789 12.871 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.650 13.557 -2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.949 14.209 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.054 15.887 -2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.632 16.307 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.342 15.675 -1.610 1.00 0.00 H new ATOM 719 N GLU A 41 -7.525 9.262 -4.478 1.00 0.00 N ATOM 720 CA GLU A 41 -8.076 8.051 -5.077 1.00 0.00 C ATOM 721 C GLU A 41 -8.725 7.164 -4.021 1.00 0.00 C ATOM 722 O GLU A 41 -9.226 6.081 -4.325 1.00 0.00 O ATOM 723 CB GLU A 41 -6.979 7.294 -5.830 1.00 0.00 C ATOM 724 CG GLU A 41 -6.087 6.451 -4.933 1.00 0.00 C ATOM 725 CD GLU A 41 -6.412 4.972 -5.006 1.00 0.00 C ATOM 726 OE1 GLU A 41 -5.940 4.305 -5.951 1.00 0.00 O ATOM 727 OE2 GLU A 41 -7.139 4.479 -4.118 1.00 0.00 O ATOM 0 H GLU A 41 -6.563 9.175 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.852 8.337 -5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.443 6.648 -6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.361 8.011 -6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.046 6.604 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.190 6.791 -3.902 1.00 0.00 H new ATOM 734 N THR A 42 -8.722 7.638 -2.784 1.00 0.00 N ATOM 735 CA THR A 42 -9.317 6.906 -1.680 1.00 0.00 C ATOM 736 C THR A 42 -10.052 7.861 -0.735 1.00 0.00 C ATOM 737 O THR A 42 -10.491 7.463 0.343 1.00 0.00 O ATOM 738 CB THR A 42 -8.234 6.124 -0.933 1.00 0.00 C ATOM 739 OG1 THR A 42 -7.667 5.134 -1.773 1.00 0.00 O ATOM 740 CG2 THR A 42 -8.738 5.429 0.312 1.00 0.00 C ATOM 0 H THR A 42 -8.310 8.533 -2.520 1.00 0.00 H new ATOM 0 HA THR A 42 -10.047 6.200 -2.075 1.00 0.00 H new ATOM 0 HB THR A 42 -7.496 6.869 -0.636 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.295 5.559 -2.574 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.916 4.895 0.789 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.140 6.169 1.004 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.522 4.721 0.042 1.00 0.00 H new ATOM 748 N GLU A 43 -10.191 9.126 -1.151 1.00 0.00 N ATOM 749 CA GLU A 43 -10.881 10.131 -0.344 1.00 0.00 C ATOM 750 C GLU A 43 -12.183 9.581 0.219 1.00 0.00 C ATOM 751 O GLU A 43 -12.367 9.514 1.435 1.00 0.00 O ATOM 752 CB GLU A 43 -11.175 11.391 -1.169 1.00 0.00 C ATOM 753 CG GLU A 43 -11.671 11.112 -2.581 1.00 0.00 C ATOM 754 CD GLU A 43 -11.185 12.140 -3.585 1.00 0.00 C ATOM 755 OE1 GLU A 43 -10.584 13.150 -3.158 1.00 0.00 O ATOM 756 OE2 GLU A 43 -11.404 11.936 -4.797 1.00 0.00 O ATOM 0 H GLU A 43 -9.834 9.474 -2.041 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.220 10.393 0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.921 11.988 -0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.268 11.993 -1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.337 10.122 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.761 11.095 -2.582 1.00 0.00 H new ATOM 763 N PHE A 44 -13.091 9.197 -0.671 1.00 0.00 N ATOM 764 CA PHE A 44 -14.382 8.664 -0.262 1.00 0.00 C ATOM 765 C PHE A 44 -14.322 7.153 -0.068 1.00 0.00 C ATOM 766 O PHE A 44 -15.119 6.584 0.678 1.00 0.00 O ATOM 767 CB PHE A 44 -15.450 9.013 -1.299 1.00 0.00 C ATOM 768 CG PHE A 44 -15.672 10.490 -1.459 1.00 0.00 C ATOM 769 CD1 PHE A 44 -16.196 11.240 -0.419 1.00 0.00 C ATOM 770 CD2 PHE A 44 -15.357 11.128 -2.648 1.00 0.00 C ATOM 771 CE1 PHE A 44 -16.401 12.600 -0.562 1.00 0.00 C ATOM 772 CE2 PHE A 44 -15.560 12.485 -2.797 1.00 0.00 C ATOM 773 CZ PHE A 44 -16.084 13.223 -1.753 1.00 0.00 C ATOM 0 H PHE A 44 -12.955 9.245 -1.681 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.644 9.119 0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -15.162 8.591 -2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.390 8.541 -1.013 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.447 10.757 0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -14.948 10.557 -3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -16.809 13.174 0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -15.309 12.970 -3.729 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.245 14.285 -1.868 1.00 0.00 H new ATOM 783 N LYS A 45 -13.384 6.500 -0.751 1.00 0.00 N ATOM 784 CA LYS A 45 -13.247 5.051 -0.649 1.00 0.00 C ATOM 785 C LYS A 45 -13.022 4.606 0.798 1.00 0.00 C ATOM 786 O LYS A 45 -13.696 3.701 1.288 1.00 0.00 O ATOM 787 CB LYS A 45 -12.093 4.559 -1.528 1.00 0.00 C ATOM 788 CG LYS A 45 -12.093 5.146 -2.933 1.00 0.00 C ATOM 789 CD LYS A 45 -13.411 4.896 -3.650 1.00 0.00 C ATOM 790 CE LYS A 45 -13.665 5.938 -4.726 1.00 0.00 C ATOM 791 NZ LYS A 45 -15.116 6.090 -5.022 1.00 0.00 N ATOM 0 H LYS A 45 -12.713 6.948 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.181 4.610 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.149 4.805 -1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.141 3.472 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.907 6.219 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.277 4.709 -3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.400 3.903 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.228 4.910 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.258 6.897 -4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.137 5.655 -5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.246 6.810 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.500 5.182 -5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.617 6.385 -4.160 1.00 0.00 H new ATOM 805 N LYS A 46 -12.057 5.228 1.468 1.00 0.00 N ATOM 806 CA LYS A 46 -11.731 4.873 2.849 1.00 0.00 C ATOM 807 C LYS A 46 -12.848 5.241 3.825 1.00 0.00 C ATOM 808 O LYS A 46 -13.179 4.458 4.715 1.00 0.00 O ATOM 809 CB LYS A 46 -10.432 5.556 3.281 1.00 0.00 C ATOM 810 CG LYS A 46 -10.538 7.070 3.371 1.00 0.00 C ATOM 811 CD LYS A 46 -9.166 7.721 3.461 1.00 0.00 C ATOM 812 CE LYS A 46 -9.266 9.238 3.434 1.00 0.00 C ATOM 813 NZ LYS A 46 -10.250 9.747 4.429 1.00 0.00 N ATOM 0 H LYS A 46 -11.487 5.979 1.080 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.609 3.790 2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.131 5.163 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.643 5.297 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.066 7.451 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.129 7.343 4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.671 7.404 4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.546 7.381 2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.286 9.670 3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.557 9.565 2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.117 10.047 3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.480 8.993 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.842 10.557 4.937 1.00 0.00 H new ATOM 827 N ILE A 47 -13.408 6.436 3.677 1.00 0.00 N ATOM 828 CA ILE A 47 -14.462 6.890 4.578 1.00 0.00 C ATOM 829 C ILE A 47 -15.756 6.108 4.389 1.00 0.00 C ATOM 830 O ILE A 47 -16.302 5.571 5.352 1.00 0.00 O ATOM 831 CB ILE A 47 -14.742 8.400 4.429 1.00 0.00 C ATOM 832 CG1 ILE A 47 -15.086 8.754 2.982 1.00 0.00 C ATOM 833 CG2 ILE A 47 -13.539 9.202 4.899 1.00 0.00 C ATOM 834 CD1 ILE A 47 -16.574 8.820 2.712 1.00 0.00 C ATOM 0 H ILE A 47 -13.153 7.103 2.949 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.091 6.704 5.586 1.00 0.00 H new ATOM 0 HB ILE A 47 -15.601 8.652 5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -14.637 9.716 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -14.637 8.014 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.746 10.267 4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.338 8.977 5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.669 8.938 4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.743 9.076 1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -17.026 7.852 2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -17.026 9.580 3.349 1.00 0.00 H new ATOM 846 N LYS A 48 -16.254 6.040 3.157 1.00 0.00 N ATOM 847 CA LYS A 48 -17.491 5.314 2.886 1.00 0.00 C ATOM 848 C LYS A 48 -17.438 3.917 3.497 1.00 0.00 C ATOM 849 O LYS A 48 -18.445 3.402 3.985 1.00 0.00 O ATOM 850 CB LYS A 48 -17.747 5.230 1.378 1.00 0.00 C ATOM 851 CG LYS A 48 -16.744 4.370 0.626 1.00 0.00 C ATOM 852 CD LYS A 48 -17.316 3.000 0.301 1.00 0.00 C ATOM 853 CE LYS A 48 -16.470 2.273 -0.732 1.00 0.00 C ATOM 854 NZ LYS A 48 -16.949 2.524 -2.119 1.00 0.00 N ATOM 0 H LYS A 48 -15.826 6.474 2.339 1.00 0.00 H new ATOM 0 HA LYS A 48 -18.315 5.859 3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.748 4.832 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -17.731 6.237 0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.453 4.872 -0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -15.841 4.255 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.373 2.403 1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.334 3.109 -0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.432 2.595 -0.643 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.490 1.202 -0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.346 2.011 -2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.931 2.194 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.906 3.543 -2.322 1.00 0.00 H new ATOM 868 N VAL A 49 -16.256 3.310 3.465 1.00 0.00 N ATOM 869 CA VAL A 49 -16.066 1.971 4.013 1.00 0.00 C ATOM 870 C VAL A 49 -15.933 2.005 5.534 1.00 0.00 C ATOM 871 O VAL A 49 -16.294 1.047 6.218 1.00 0.00 O ATOM 872 CB VAL A 49 -14.818 1.293 3.417 1.00 0.00 C ATOM 873 CG1 VAL A 49 -14.679 -0.132 3.935 1.00 0.00 C ATOM 874 CG2 VAL A 49 -14.876 1.311 1.898 1.00 0.00 C ATOM 0 H VAL A 49 -15.414 3.724 3.065 1.00 0.00 H new ATOM 0 HA VAL A 49 -16.951 1.395 3.744 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.939 1.855 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.791 -0.592 3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.586 -0.117 5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -15.560 -0.709 3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.986 0.828 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -15.764 0.776 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.919 2.342 1.548 1.00 0.00 H new ATOM 884 N LEU A 50 -15.407 3.108 6.057 1.00 0.00 N ATOM 885 CA LEU A 50 -15.224 3.254 7.498 1.00 0.00 C ATOM 886 C LEU A 50 -16.511 3.725 8.170 1.00 0.00 C ATOM 887 O LEU A 50 -16.770 3.403 9.329 1.00 0.00 O ATOM 888 CB LEU A 50 -14.091 4.239 7.791 1.00 0.00 C ATOM 889 CG LEU A 50 -12.691 3.734 7.436 1.00 0.00 C ATOM 890 CD1 LEU A 50 -11.730 4.899 7.264 1.00 0.00 C ATOM 891 CD2 LEU A 50 -12.185 2.776 8.504 1.00 0.00 C ATOM 0 H LEU A 50 -15.101 3.911 5.508 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.963 2.277 7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.279 5.161 7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.113 4.490 8.851 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.748 3.196 6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.740 4.520 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.085 5.548 6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.676 5.466 8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.188 2.426 8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.143 3.291 9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.861 1.924 8.578 1.00 0.00 H new ATOM 903 N GLY A 51 -17.313 4.485 7.434 1.00 0.00 N ATOM 904 CA GLY A 51 -18.563 4.984 7.974 1.00 0.00 C ATOM 905 C GLY A 51 -19.753 4.161 7.524 1.00 0.00 C ATOM 906 O GLY A 51 -20.865 4.675 7.412 1.00 0.00 O ATOM 0 H GLY A 51 -17.120 4.765 6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.513 4.981 9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.702 6.020 7.664 1.00 0.00 H new ATOM 910 N SER A 52 -19.515 2.880 7.264 1.00 0.00 N ATOM 911 CA SER A 52 -20.573 1.979 6.822 1.00 0.00 C ATOM 912 C SER A 52 -21.716 1.941 7.833 1.00 0.00 C ATOM 913 O SER A 52 -22.870 1.713 7.472 1.00 0.00 O ATOM 914 CB SER A 52 -20.017 0.570 6.611 1.00 0.00 C ATOM 915 OG SER A 52 -21.044 -0.334 6.237 1.00 0.00 O ATOM 0 H SER A 52 -18.598 2.442 7.352 1.00 0.00 H new ATOM 0 HA SER A 52 -20.962 2.355 5.876 1.00 0.00 H new ATOM 0 HB2 SER A 52 -19.248 0.591 5.839 1.00 0.00 H new ATOM 0 HB3 SER A 52 -19.539 0.223 7.527 1.00 0.00 H new ATOM 0 HG SER A 52 -20.662 -1.227 6.107 1.00 0.00 H new ATOM 921 N GLY A 53 -21.386 2.168 9.101 1.00 0.00 N ATOM 922 CA GLY A 53 -22.395 2.155 10.143 1.00 0.00 C ATOM 923 C GLY A 53 -22.765 0.750 10.575 1.00 0.00 C ATOM 924 O GLY A 53 -21.866 -0.116 10.612 1.00 0.00 O ATOM 925 OXT GLY A 53 -23.954 0.516 10.877 1.00 0.00 O ATOM 0 H GLY A 53 -20.438 2.361 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.029 2.712 11.005 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.288 2.669 9.786 1.00 0.00 H new TER 929 GLY A 53