USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 765 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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 92:sc= 0.961 USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= -0.0437 (180deg=-0.557) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 0.118 (180deg=0.0733) USER MOD Single : A 48 LYS NZ :NH3+ -108:sc= -0.341 (180deg=-1.4) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 THR OG1 : rot 92:sc= 0.949 USER MOD Single : B 33 LYS NZ :NH3+ -121:sc= -0.0593 (180deg=-0.533) USER MOD Single : B 39 TYR OH : rot 180:sc= -0.0161 USER MOD Single : B 44 LYS NZ :NH3+ 172:sc= 0.0948 (180deg=0.0729) USER MOD Single : B 48 LYS NZ :NH3+ -106:sc= -0.284 (180deg=-1.39) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N ILE A 8 -4.992 -15.647 30.842 1.00 0.37 N ATOM 93 CA ILE A 8 -6.334 -15.323 31.414 1.00 0.37 C ATOM 94 C ILE A 8 -7.068 -14.335 30.504 1.00 0.32 C ATOM 95 O ILE A 8 -6.498 -13.376 30.039 1.00 0.30 O ATOM 96 CB ILE A 8 -6.048 -14.681 32.768 1.00 0.40 C ATOM 97 CG1 ILE A 8 -5.109 -15.580 33.575 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.359 -14.500 33.534 1.00 0.43 C ATOM 99 CD1 ILE A 8 -5.650 -17.011 33.582 1.00 1.36 C ATOM 0 HA ILE A 8 -6.965 -16.207 31.507 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.578 -13.710 32.614 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -4.109 -15.561 33.142 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -5.021 -15.208 34.596 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -7.155 -14.041 34.501 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -8.029 -13.858 32.962 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.829 -15.472 33.685 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -4.980 -17.650 34.157 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -6.641 -17.023 34.035 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.714 -17.381 32.559 1.00 1.36 H new ATOM 111 N VAL A 9 -8.306 -14.593 30.199 1.00 0.32 N ATOM 112 CA VAL A 9 -9.041 -13.695 29.258 1.00 0.29 C ATOM 113 C VAL A 9 -10.212 -13.006 29.966 1.00 0.32 C ATOM 114 O VAL A 9 -10.880 -13.587 30.799 1.00 0.37 O ATOM 115 CB VAL A 9 -9.548 -14.606 28.141 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.405 -13.795 27.168 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.352 -15.200 27.386 1.00 0.30 C ATOM 0 H VAL A 9 -8.843 -15.383 30.557 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.400 -12.901 28.875 1.00 0.29 H new ATOM 0 HB VAL A 9 -10.146 -15.409 28.572 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.766 -14.446 26.372 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.255 -13.368 27.701 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.806 -12.993 26.737 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.712 -15.850 26.589 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.756 -14.394 26.956 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.737 -15.778 28.076 1.00 0.30 H new ATOM 127 N ARG A 10 -10.487 -11.784 29.603 1.00 0.31 N ATOM 128 CA ARG A 10 -11.641 -11.057 30.207 1.00 0.36 C ATOM 129 C ARG A 10 -12.485 -10.419 29.101 1.00 0.31 C ATOM 130 O ARG A 10 -12.035 -10.255 27.985 1.00 0.27 O ATOM 131 CB ARG A 10 -11.015 -9.984 31.097 1.00 0.40 C ATOM 132 CG ARG A 10 -12.116 -9.258 31.873 1.00 0.73 C ATOM 133 CD ARG A 10 -11.496 -8.144 32.719 1.00 0.86 C ATOM 134 NE ARG A 10 -12.625 -7.599 33.524 1.00 1.13 N ATOM 135 CZ ARG A 10 -13.538 -6.857 32.955 1.00 1.36 C ATOM 136 NH1 ARG A 10 -13.464 -6.587 31.680 1.00 1.61 N ATOM 137 NH2 ARG A 10 -14.526 -6.385 33.664 1.00 1.91 N ATOM 0 H ARG A 10 -9.959 -11.254 28.910 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.299 -11.715 30.775 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.307 -10.439 31.790 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.455 -9.274 30.489 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -12.847 -8.840 31.181 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.649 -9.961 32.513 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -10.704 -8.530 33.361 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -11.050 -7.373 32.091 1.00 0.86 H new ATOM 0 HE ARG A 10 -12.685 -7.805 34.521 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -12.692 -6.956 31.125 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -14.178 -6.008 31.239 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -14.585 -6.595 34.660 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -15.240 -5.806 33.222 1.00 1.91 H new ATOM 151 N LYS A 11 -13.713 -10.089 29.386 1.00 0.32 N ATOM 152 CA LYS A 11 -14.588 -9.499 28.330 1.00 0.29 C ATOM 153 C LYS A 11 -14.378 -7.984 28.251 1.00 0.26 C ATOM 154 O LYS A 11 -14.108 -7.331 29.240 1.00 0.27 O ATOM 155 CB LYS A 11 -16.015 -9.822 28.769 1.00 0.33 C ATOM 156 CG LYS A 11 -16.166 -11.334 28.946 1.00 1.02 C ATOM 157 CD LYS A 11 -15.956 -12.031 27.599 1.00 1.03 C ATOM 158 CE LYS A 11 -16.297 -13.517 27.734 1.00 1.81 C ATOM 159 NZ LYS A 11 -15.230 -14.227 26.975 1.00 2.21 N ATOM 0 H LYS A 11 -14.150 -10.201 30.301 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.367 -9.900 27.341 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.243 -9.311 29.705 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.726 -9.460 28.026 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -15.441 -11.700 29.673 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -17.156 -11.568 29.338 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -16.585 -11.570 26.837 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -14.923 -11.912 27.273 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -16.310 -13.826 28.779 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -17.284 -13.734 27.325 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -15.395 -15.253 27.021 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -15.246 -13.918 25.982 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -14.303 -14.007 27.391 1.00 2.21 H new ATOM 173 N VAL A 12 -14.515 -7.418 27.081 1.00 0.22 N ATOM 174 CA VAL A 12 -14.341 -5.942 26.938 1.00 0.21 C ATOM 175 C VAL A 12 -15.630 -5.226 27.340 1.00 0.20 C ATOM 176 O VAL A 12 -16.704 -5.576 26.897 1.00 0.20 O ATOM 177 CB VAL A 12 -14.057 -5.713 25.453 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.490 -4.308 25.252 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.049 -6.750 24.952 1.00 0.28 C ATOM 0 H VAL A 12 -14.740 -7.914 26.218 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.541 -5.559 27.571 1.00 0.21 H new ATOM 0 HB VAL A 12 -14.985 -5.814 24.890 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.288 -4.145 24.193 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.213 -3.571 25.601 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.564 -4.205 25.818 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.850 -6.582 23.893 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.120 -6.656 25.515 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.458 -7.751 25.090 1.00 0.28 H new ATOM 189 N ASP A 13 -15.540 -4.236 28.184 1.00 0.20 N ATOM 190 CA ASP A 13 -16.775 -3.524 28.617 1.00 0.21 C ATOM 191 C ASP A 13 -17.140 -2.432 27.601 1.00 0.22 C ATOM 192 O ASP A 13 -16.602 -2.379 26.513 1.00 0.22 O ATOM 193 CB ASP A 13 -16.445 -2.932 29.995 1.00 0.21 C ATOM 194 CG ASP A 13 -15.862 -1.527 29.851 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.665 -1.414 29.657 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.624 -0.581 29.930 1.00 0.55 O ATOM 0 H ASP A 13 -14.671 -3.891 28.591 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.638 -4.187 28.676 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.346 -2.897 30.607 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.734 -3.576 30.512 1.00 0.21 H new ATOM 201 N GLU A 14 -18.139 -1.650 27.897 1.00 0.23 N ATOM 202 CA GLU A 14 -18.650 -0.671 26.893 1.00 0.26 C ATOM 203 C GLU A 14 -17.530 0.225 26.346 1.00 0.26 C ATOM 204 O GLU A 14 -17.546 0.601 25.191 1.00 0.29 O ATOM 205 CB GLU A 14 -19.680 0.167 27.651 1.00 0.28 C ATOM 206 CG GLU A 14 -20.374 1.124 26.681 1.00 1.22 C ATOM 207 CD GLU A 14 -21.328 2.034 27.457 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.386 1.902 28.669 1.00 2.19 O ATOM 209 OE2 GLU A 14 -21.986 2.845 26.827 1.00 1.99 O ATOM 0 H GLU A 14 -18.627 -1.645 28.793 1.00 0.23 H new ATOM 0 HA GLU A 14 -19.075 -1.178 26.027 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -20.415 -0.483 28.125 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.192 0.730 28.447 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -19.633 1.723 26.152 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.924 0.560 25.928 1.00 1.22 H new ATOM 216 N LEU A 15 -16.645 0.689 27.185 1.00 0.23 N ATOM 217 CA LEU A 15 -15.646 1.693 26.712 1.00 0.24 C ATOM 218 C LEU A 15 -14.402 1.021 26.119 1.00 0.22 C ATOM 219 O LEU A 15 -13.492 1.685 25.665 1.00 0.24 O ATOM 220 CB LEU A 15 -15.268 2.504 27.951 1.00 0.28 C ATOM 221 CG LEU A 15 -14.140 3.474 27.595 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.488 4.214 26.300 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.965 4.489 28.726 1.00 1.38 C ATOM 0 H LEU A 15 -16.569 0.421 28.166 1.00 0.23 H new ATOM 0 HA LEU A 15 -16.063 2.314 25.919 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -16.134 3.054 28.318 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.951 1.838 28.753 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.214 2.916 27.457 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.683 4.905 26.048 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.614 3.493 25.492 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.415 4.771 26.437 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -13.161 5.181 28.473 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.893 5.045 28.863 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.716 3.966 29.649 1.00 1.38 H new ATOM 235 N GLY A 16 -14.324 -0.281 26.147 1.00 0.21 N ATOM 236 CA GLY A 16 -13.101 -0.947 25.616 1.00 0.19 C ATOM 237 C GLY A 16 -11.986 -0.890 26.665 1.00 0.20 C ATOM 238 O GLY A 16 -10.865 -0.512 26.378 1.00 0.20 O ATOM 0 H GLY A 16 -15.044 -0.906 26.510 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.321 -1.984 25.361 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.776 -0.455 24.699 1.00 0.19 H new ATOM 242 N ARG A 17 -12.296 -1.208 27.890 1.00 0.24 N ATOM 243 CA ARG A 17 -11.270 -1.119 28.964 1.00 0.26 C ATOM 244 C ARG A 17 -10.993 -2.512 29.534 1.00 0.26 C ATOM 245 O ARG A 17 -11.823 -3.397 29.470 1.00 0.26 O ATOM 246 CB ARG A 17 -11.891 -0.211 30.025 1.00 0.28 C ATOM 247 CG ARG A 17 -12.071 1.194 29.448 1.00 0.28 C ATOM 248 CD ARG A 17 -12.666 2.116 30.514 1.00 0.29 C ATOM 249 NE ARG A 17 -14.044 1.602 30.737 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.920 2.336 31.375 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.576 3.503 31.850 1.00 0.73 N ATOM 252 NH2 ARG A 17 -16.141 1.906 31.538 1.00 1.15 N ATOM 0 H ARG A 17 -13.216 -1.526 28.194 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.318 -0.728 28.605 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.853 -0.611 30.344 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.252 -0.175 30.908 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -11.111 1.585 29.110 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.725 1.159 28.577 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -12.080 2.088 31.433 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.680 3.152 30.177 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.306 0.678 30.393 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.623 3.844 31.724 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -15.260 4.073 32.347 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.415 0.996 31.168 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.822 2.480 32.036 1.00 1.15 H new ATOM 266 N VAL A 18 -9.826 -2.719 30.077 1.00 0.26 N ATOM 267 CA VAL A 18 -9.489 -4.060 30.632 1.00 0.25 C ATOM 268 C VAL A 18 -9.039 -3.924 32.088 1.00 0.24 C ATOM 269 O VAL A 18 -8.595 -2.876 32.512 1.00 0.24 O ATOM 270 CB VAL A 18 -8.342 -4.574 29.762 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.794 -4.629 28.301 1.00 0.28 C ATOM 272 CG2 VAL A 18 -7.146 -3.628 29.890 1.00 0.26 C ATOM 0 H VAL A 18 -9.090 -2.017 30.161 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.341 -4.740 30.622 1.00 0.25 H new ATOM 0 HB VAL A 18 -8.055 -5.573 30.090 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.976 -4.995 27.681 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.648 -5.300 28.209 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -9.080 -3.630 27.971 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.326 -3.992 29.271 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.435 -2.630 29.560 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.824 -3.587 30.931 1.00 0.26 H new ATOM 282 N VAL A 19 -9.218 -4.950 32.872 1.00 0.22 N ATOM 283 CA VAL A 19 -8.875 -4.845 34.318 1.00 0.21 C ATOM 284 C VAL A 19 -7.667 -5.722 34.648 1.00 0.22 C ATOM 285 O VAL A 19 -7.613 -6.882 34.290 1.00 0.23 O ATOM 286 CB VAL A 19 -10.117 -5.348 35.053 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.952 -5.116 36.556 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.347 -4.590 34.551 1.00 0.24 C ATOM 0 H VAL A 19 -9.586 -5.854 32.576 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.611 -3.827 34.604 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.244 -6.414 34.864 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.838 -5.475 37.079 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -9.076 -5.657 36.914 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.824 -4.051 36.748 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.234 -4.948 35.074 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.220 -3.524 34.740 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.466 -4.757 33.480 1.00 0.24 H new ATOM 298 N ILE A 20 -6.739 -5.203 35.405 1.00 0.22 N ATOM 299 CA ILE A 20 -5.587 -6.037 35.843 1.00 0.24 C ATOM 300 C ILE A 20 -5.984 -6.853 37.079 1.00 0.24 C ATOM 301 O ILE A 20 -6.535 -6.319 38.015 1.00 0.23 O ATOM 302 CB ILE A 20 -4.486 -5.024 36.179 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.746 -4.638 34.896 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.494 -5.632 37.173 1.00 0.24 C ATOM 305 CD1 ILE A 20 -4.679 -3.830 33.992 1.00 1.38 C ATOM 0 H ILE A 20 -6.730 -4.239 35.738 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.261 -6.750 35.086 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.940 -4.140 36.627 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -2.859 -4.052 35.137 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -3.405 -5.534 34.377 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.717 -4.903 37.404 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -4.018 -5.906 38.089 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -3.039 -6.521 36.736 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -4.152 -3.555 33.078 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -5.553 -4.431 33.740 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -4.998 -2.927 34.513 1.00 1.38 H new ATOM 317 N PRO A 21 -5.645 -8.113 37.059 1.00 0.28 N ATOM 318 CA PRO A 21 -5.925 -8.990 38.223 1.00 0.30 C ATOM 319 C PRO A 21 -5.256 -8.424 39.479 1.00 0.28 C ATOM 320 O PRO A 21 -4.178 -7.872 39.421 1.00 0.27 O ATOM 321 CB PRO A 21 -5.314 -10.339 37.837 1.00 0.35 C ATOM 322 CG PRO A 21 -4.464 -10.079 36.630 1.00 0.35 C ATOM 323 CD PRO A 21 -4.980 -8.828 35.972 1.00 0.32 C ATOM 0 HA PRO A 21 -6.988 -9.072 38.448 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.717 -10.745 38.654 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.091 -11.070 37.616 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.419 -9.958 36.916 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.510 -10.922 35.940 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.170 -8.239 35.542 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.672 -9.058 35.162 1.00 0.32 H new ATOM 331 N ILE A 22 -5.896 -8.532 40.610 1.00 0.30 N ATOM 332 CA ILE A 22 -5.301 -7.965 41.856 1.00 0.30 C ATOM 333 C ILE A 22 -3.902 -8.534 42.084 1.00 0.32 C ATOM 334 O ILE A 22 -3.027 -7.864 42.591 1.00 0.32 O ATOM 335 CB ILE A 22 -6.247 -8.395 42.977 1.00 0.35 C ATOM 336 CG1 ILE A 22 -5.912 -7.619 44.254 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.083 -9.893 43.236 1.00 0.42 C ATOM 338 CD1 ILE A 22 -6.187 -6.131 44.036 1.00 1.11 C ATOM 0 H ILE A 22 -6.802 -8.986 40.727 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.195 -6.881 41.806 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.276 -8.186 42.683 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.510 -7.992 45.086 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -4.866 -7.771 44.520 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.757 -10.200 44.035 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.320 -10.447 42.328 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.054 -10.101 43.530 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -5.948 -5.580 44.946 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -5.570 -5.763 43.216 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -7.239 -5.988 43.791 1.00 1.11 H new ATOM 350 N GLU A 23 -3.674 -9.753 41.692 1.00 0.36 N ATOM 351 CA GLU A 23 -2.318 -10.341 41.867 1.00 0.40 C ATOM 352 C GLU A 23 -1.280 -9.481 41.143 1.00 0.37 C ATOM 353 O GLU A 23 -0.176 -9.283 41.613 1.00 0.39 O ATOM 354 CB GLU A 23 -2.404 -11.725 41.223 1.00 0.44 C ATOM 355 CG GLU A 23 -1.096 -12.482 41.462 1.00 1.22 C ATOM 356 CD GLU A 23 -1.140 -13.824 40.728 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.135 -14.084 40.071 1.00 2.01 O ATOM 358 OE2 GLU A 23 -0.179 -14.567 40.835 1.00 2.37 O ATOM 0 H GLU A 23 -4.364 -10.367 41.259 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.019 -10.395 42.914 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -3.241 -12.282 41.644 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -2.591 -11.629 40.153 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -0.251 -11.890 41.109 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -0.947 -12.644 42.530 1.00 1.22 H new ATOM 365 N LEU A 24 -1.645 -8.931 40.019 1.00 0.34 N ATOM 366 CA LEU A 24 -0.707 -8.049 39.271 1.00 0.33 C ATOM 367 C LEU A 24 -0.704 -6.641 39.867 1.00 0.29 C ATOM 368 O LEU A 24 0.313 -5.981 39.899 1.00 0.29 O ATOM 369 CB LEU A 24 -1.234 -8.027 37.836 1.00 0.33 C ATOM 370 CG LEU A 24 -1.114 -9.424 37.224 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.505 -9.371 35.746 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.331 -9.910 37.350 1.00 1.75 C ATOM 0 H LEU A 24 -2.559 -9.056 39.584 1.00 0.34 H new ATOM 0 HA LEU A 24 0.320 -8.411 39.320 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.274 -7.702 37.825 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.669 -7.309 37.241 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.778 -10.109 37.750 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.419 -10.367 35.311 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.534 -9.022 35.654 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.841 -8.686 35.218 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.419 -10.905 36.915 1.00 1.75 H new ATOM 0 HD22 LEU A 24 0.993 -9.223 36.823 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.612 -9.948 38.403 1.00 1.75 H new ATOM 384 N ARG A 25 -1.807 -6.201 40.408 1.00 0.25 N ATOM 385 CA ARG A 25 -1.806 -4.865 41.070 1.00 0.23 C ATOM 386 C ARG A 25 -0.760 -4.854 42.182 1.00 0.25 C ATOM 387 O ARG A 25 -0.051 -3.887 42.371 1.00 0.25 O ATOM 388 CB ARG A 25 -3.204 -4.685 41.673 1.00 0.22 C ATOM 389 CG ARG A 25 -4.277 -4.719 40.583 1.00 0.21 C ATOM 390 CD ARG A 25 -5.628 -4.334 41.201 1.00 0.22 C ATOM 391 NE ARG A 25 -6.656 -4.855 40.262 1.00 0.23 N ATOM 392 CZ ARG A 25 -7.883 -5.041 40.670 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.217 -4.758 41.900 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.777 -5.511 39.845 1.00 0.27 N ATOM 0 H ARG A 25 -2.697 -6.700 40.421 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.570 -4.065 40.368 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.395 -5.473 42.401 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.254 -3.737 42.209 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.020 -4.029 39.780 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.334 -5.714 40.142 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.745 -4.771 42.193 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.713 -3.253 41.316 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.403 -5.068 39.297 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.519 -4.390 42.546 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.176 -4.905 42.215 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.517 -5.732 38.884 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.736 -5.657 40.161 1.00 0.27 H new ATOM 408 N ARG A 26 -0.701 -5.903 42.953 1.00 0.29 N ATOM 409 CA ARG A 26 0.256 -5.929 44.098 1.00 0.33 C ATOM 410 C ARG A 26 1.694 -6.103 43.598 1.00 0.35 C ATOM 411 O ARG A 26 2.591 -5.386 43.994 1.00 0.35 O ATOM 412 CB ARG A 26 -0.164 -7.138 44.933 1.00 0.37 C ATOM 413 CG ARG A 26 -1.566 -6.905 45.500 1.00 1.07 C ATOM 414 CD ARG A 26 -1.944 -8.065 46.422 1.00 1.25 C ATOM 415 NE ARG A 26 -3.378 -7.841 46.752 1.00 1.85 N ATOM 416 CZ ARG A 26 -3.716 -6.935 47.632 1.00 2.32 C ATOM 417 NH1 ARG A 26 -2.798 -6.222 48.226 1.00 2.40 N ATOM 418 NH2 ARG A 26 -4.975 -6.742 47.917 1.00 3.26 N ATOM 0 H ARG A 26 -1.271 -6.742 42.842 1.00 0.29 H new ATOM 0 HA ARG A 26 0.233 -5.001 44.670 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -0.154 -8.039 44.319 1.00 0.37 H new ATOM 0 HB3 ARG A 26 0.546 -7.297 45.744 1.00 0.37 H new ATOM 0 HG2 ARG A 26 -1.595 -5.965 46.051 1.00 1.07 H new ATOM 0 HG3 ARG A 26 -2.289 -6.822 44.688 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -1.798 -9.026 45.928 1.00 1.25 H new ATOM 0 HD3 ARG A 26 -1.328 -8.072 47.321 1.00 1.25 H new ATOM 0 HE ARG A 26 -4.099 -8.396 46.290 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -1.814 -6.371 48.004 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -3.065 -5.516 48.912 1.00 2.40 H new ATOM 0 HH21 ARG A 26 -5.694 -7.298 47.453 1.00 3.26 H new ATOM 0 HH22 ARG A 26 -5.240 -6.036 48.603 1.00 3.26 H new ATOM 432 N THR A 27 1.923 -7.066 42.748 1.00 0.37 N ATOM 433 CA THR A 27 3.308 -7.314 42.252 1.00 0.41 C ATOM 434 C THR A 27 3.828 -6.118 41.447 1.00 0.39 C ATOM 435 O THR A 27 5.014 -5.862 41.400 1.00 0.42 O ATOM 436 CB THR A 27 3.193 -8.549 41.358 1.00 0.44 C ATOM 437 OG1 THR A 27 2.596 -9.609 42.091 1.00 0.61 O ATOM 438 CG2 THR A 27 4.585 -8.972 40.887 1.00 0.77 C ATOM 0 H THR A 27 1.210 -7.693 42.375 1.00 0.37 H new ATOM 0 HA THR A 27 4.010 -7.461 43.073 1.00 0.41 H new ATOM 0 HB THR A 27 2.575 -8.314 40.491 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.625 -9.593 41.958 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.502 -9.852 40.250 1.00 0.77 H new ATOM 0 HG22 THR A 27 5.041 -8.158 40.323 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.206 -9.207 41.752 1.00 0.77 H new ATOM 446 N LEU A 28 2.962 -5.419 40.769 1.00 0.35 N ATOM 447 CA LEU A 28 3.429 -4.288 39.917 1.00 0.34 C ATOM 448 C LEU A 28 3.497 -2.990 40.728 1.00 0.32 C ATOM 449 O LEU A 28 3.954 -1.974 40.244 1.00 0.33 O ATOM 450 CB LEU A 28 2.388 -4.179 38.802 1.00 0.32 C ATOM 451 CG LEU A 28 2.925 -3.277 37.690 1.00 0.44 C ATOM 452 CD1 LEU A 28 4.035 -4.010 36.929 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.790 -2.928 36.724 1.00 1.05 C ATOM 0 H LEU A 28 1.955 -5.580 40.767 1.00 0.35 H new ATOM 0 HA LEU A 28 4.432 -4.457 39.524 1.00 0.34 H new ATOM 0 HB2 LEU A 28 2.160 -5.168 38.405 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.457 -3.772 39.197 1.00 0.32 H new ATOM 0 HG LEU A 28 3.326 -2.362 38.126 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.418 -3.367 36.136 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.843 -4.260 37.616 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.634 -4.925 36.493 1.00 0.70 H new ATOM 0 HD21 LEU A 28 2.172 -2.285 35.931 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.389 -3.843 36.288 1.00 1.05 H new ATOM 0 HD23 LEU A 28 1.000 -2.407 37.264 1.00 1.05 H new ATOM 465 N GLY A 29 3.071 -3.015 41.962 1.00 0.32 N ATOM 466 CA GLY A 29 3.142 -1.782 42.796 1.00 0.32 C ATOM 467 C GLY A 29 2.205 -0.718 42.223 1.00 0.29 C ATOM 468 O GLY A 29 2.553 0.441 42.127 1.00 0.29 O ATOM 0 H GLY A 29 2.678 -3.833 42.427 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.863 -2.010 43.825 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.165 -1.405 42.819 1.00 0.32 H new ATOM 472 N ILE A 30 1.030 -1.106 41.823 1.00 0.27 N ATOM 473 CA ILE A 30 0.081 -0.118 41.232 1.00 0.24 C ATOM 474 C ILE A 30 -1.168 0.020 42.103 1.00 0.23 C ATOM 475 O ILE A 30 -1.688 -0.945 42.627 1.00 0.26 O ATOM 476 CB ILE A 30 -0.282 -0.676 39.859 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.994 -0.871 39.036 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.207 0.303 39.136 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.826 0.415 39.073 1.00 0.29 C ATOM 0 H ILE A 30 0.682 -2.063 41.878 1.00 0.27 H new ATOM 0 HA ILE A 30 0.525 0.875 41.162 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.790 -1.633 39.980 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.573 -1.703 39.435 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.741 -1.124 38.006 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.465 -0.097 38.156 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.116 0.445 39.721 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.700 1.261 39.015 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.735 0.277 38.487 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.245 1.236 38.654 1.00 0.29 H new ATOM 0 HD13 ILE A 30 2.091 0.647 40.104 1.00 0.29 H new ATOM 491 N ALA A 31 -1.622 1.225 42.291 1.00 0.22 N ATOM 492 CA ALA A 31 -2.805 1.463 43.165 1.00 0.23 C ATOM 493 C ALA A 31 -3.678 2.574 42.576 1.00 0.20 C ATOM 494 O ALA A 31 -3.287 3.261 41.655 1.00 0.18 O ATOM 495 CB ALA A 31 -2.223 1.906 44.507 1.00 0.23 C ATOM 0 H ALA A 31 -1.221 2.065 41.873 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.431 0.576 43.262 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -3.034 2.102 45.209 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.582 1.118 44.903 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.637 2.814 44.367 1.00 0.23 H new ATOM 501 N GLU A 32 -4.861 2.750 43.092 1.00 0.22 N ATOM 502 CA GLU A 32 -5.758 3.809 42.550 1.00 0.21 C ATOM 503 C GLU A 32 -5.046 5.168 42.542 1.00 0.19 C ATOM 504 O GLU A 32 -4.291 5.486 43.437 1.00 0.20 O ATOM 505 CB GLU A 32 -6.951 3.839 43.507 1.00 0.25 C ATOM 506 CG GLU A 32 -8.011 4.806 42.974 1.00 0.27 C ATOM 507 CD GLU A 32 -9.156 4.915 43.983 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.067 4.281 45.021 1.00 1.13 O ATOM 509 OE2 GLU A 32 -10.102 5.631 43.701 1.00 1.12 O ATOM 0 H GLU A 32 -5.246 2.207 43.865 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.057 3.606 41.522 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.374 2.840 43.609 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.626 4.150 44.500 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.569 5.788 42.802 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.390 4.454 42.014 1.00 0.27 H new ATOM 516 N LYS A 33 -5.336 5.985 41.564 1.00 0.19 N ATOM 517 CA LYS A 33 -4.749 7.362 41.502 1.00 0.20 C ATOM 518 C LYS A 33 -3.270 7.318 41.092 1.00 0.18 C ATOM 519 O LYS A 33 -2.670 8.339 40.820 1.00 0.21 O ATOM 520 CB LYS A 33 -4.897 7.939 42.914 1.00 0.23 C ATOM 521 CG LYS A 33 -4.744 9.460 42.860 1.00 0.29 C ATOM 522 CD LYS A 33 -4.838 10.034 44.275 1.00 0.87 C ATOM 523 CE LYS A 33 -4.855 11.563 44.205 1.00 1.35 C ATOM 524 NZ LYS A 33 -6.224 11.910 43.732 1.00 1.88 N ATOM 0 H LYS A 33 -5.963 5.756 40.793 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.258 7.974 40.757 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.871 7.675 43.326 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.144 7.510 43.575 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -3.786 9.724 42.412 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.521 9.892 42.229 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.741 9.672 44.767 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -3.992 9.696 44.873 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -4.650 12.005 45.180 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -4.094 11.936 43.519 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -6.159 12.448 42.844 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -6.766 11.038 43.569 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -6.704 12.487 44.452 1.00 1.88 H new ATOM 538 N ASP A 34 -2.705 6.150 40.943 1.00 0.16 N ATOM 539 CA ASP A 34 -1.307 6.068 40.430 1.00 0.16 C ATOM 540 C ASP A 34 -1.289 6.298 38.918 1.00 0.19 C ATOM 541 O ASP A 34 -2.321 6.340 38.279 1.00 0.20 O ATOM 542 CB ASP A 34 -0.834 4.658 40.769 1.00 0.17 C ATOM 543 CG ASP A 34 -0.567 4.563 42.270 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.628 5.587 42.930 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.306 3.468 42.733 1.00 1.08 O ATOM 0 H ASP A 34 -3.147 5.255 41.153 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.660 6.824 40.874 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.589 3.928 40.475 1.00 0.17 H new ATOM 0 HB3 ASP A 34 0.072 4.422 40.211 1.00 0.17 H new ATOM 550 N ALA A 35 -0.135 6.531 38.354 1.00 0.22 N ATOM 551 CA ALA A 35 -0.072 6.859 36.901 1.00 0.28 C ATOM 552 C ALA A 35 0.415 5.653 36.091 1.00 0.20 C ATOM 553 O ALA A 35 1.458 5.090 36.361 1.00 0.16 O ATOM 554 CB ALA A 35 0.928 8.011 36.802 1.00 0.36 C ATOM 0 H ALA A 35 0.764 6.509 38.835 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.050 7.126 36.500 1.00 0.28 H new ATOM 0 HB1 ALA A 35 1.033 8.314 35.760 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.570 8.855 37.391 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.896 7.687 37.184 1.00 0.36 H new ATOM 560 N LEU A 36 -0.282 5.324 35.037 1.00 0.24 N ATOM 561 CA LEU A 36 0.190 4.240 34.127 1.00 0.21 C ATOM 562 C LEU A 36 0.679 4.855 32.816 1.00 0.20 C ATOM 563 O LEU A 36 0.050 5.743 32.277 1.00 0.23 O ATOM 564 CB LEU A 36 -1.045 3.378 33.861 1.00 0.34 C ATOM 565 CG LEU A 36 -1.738 3.036 35.177 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.167 2.579 34.883 1.00 0.55 C ATOM 567 CD2 LEU A 36 -0.977 1.909 35.877 1.00 0.56 C ATOM 0 H LEU A 36 -1.163 5.762 34.766 1.00 0.24 H new ATOM 0 HA LEU A 36 1.009 3.664 34.557 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.735 3.909 33.205 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.755 2.463 33.345 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.756 3.914 35.823 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.670 2.332 35.818 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.709 3.380 34.380 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.143 1.698 34.241 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.472 1.665 36.817 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -0.961 1.028 35.236 1.00 0.56 H new ATOM 0 HD23 LEU A 36 0.045 2.230 36.078 1.00 0.56 H new ATOM 579 N GLU A 37 1.700 4.304 32.219 1.00 0.19 N ATOM 580 CA GLU A 37 2.095 4.785 30.868 1.00 0.21 C ATOM 581 C GLU A 37 1.748 3.721 29.825 1.00 0.19 C ATOM 582 O GLU A 37 1.808 2.536 30.092 1.00 0.20 O ATOM 583 CB GLU A 37 3.605 5.019 30.941 1.00 0.25 C ATOM 584 CG GLU A 37 4.089 5.652 29.634 1.00 0.26 C ATOM 585 CD GLU A 37 5.606 5.835 29.689 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.197 5.440 30.680 1.00 1.08 O ATOM 587 OE2 GLU A 37 6.152 6.369 28.738 1.00 1.17 O ATOM 0 H GLU A 37 2.271 3.551 32.603 1.00 0.19 H new ATOM 0 HA GLU A 37 1.574 5.698 30.579 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.842 5.670 31.782 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.122 4.075 31.113 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.818 5.019 28.789 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.601 6.614 29.481 1.00 0.26 H new ATOM 594 N ILE A 38 1.230 4.139 28.707 1.00 0.21 N ATOM 595 CA ILE A 38 0.689 3.163 27.720 1.00 0.20 C ATOM 596 C ILE A 38 1.591 3.088 26.489 1.00 0.20 C ATOM 597 O ILE A 38 1.982 4.095 25.924 1.00 0.24 O ATOM 598 CB ILE A 38 -0.690 3.704 27.341 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.543 3.851 28.603 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.373 2.733 26.375 1.00 0.73 C ATOM 601 CD1 ILE A 38 -2.879 4.504 28.243 1.00 0.84 C ATOM 0 H ILE A 38 1.157 5.118 28.431 1.00 0.21 H new ATOM 0 HA ILE A 38 0.635 2.155 28.131 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.579 4.676 26.860 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.714 2.874 29.055 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.017 4.456 29.341 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.356 3.119 26.105 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.766 2.627 25.476 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.484 1.761 26.855 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.487 4.609 29.142 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.698 5.488 27.811 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.405 3.881 27.520 1.00 0.84 H new ATOM 613 N TYR A 39 1.918 1.894 26.085 1.00 0.19 N ATOM 614 CA TYR A 39 2.801 1.688 24.904 1.00 0.21 C ATOM 615 C TYR A 39 2.039 0.933 23.811 1.00 0.20 C ATOM 616 O TYR A 39 1.137 0.170 24.092 1.00 0.20 O ATOM 617 CB TYR A 39 3.935 0.816 25.431 1.00 0.24 C ATOM 618 CG TYR A 39 4.952 1.651 26.159 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.586 2.366 27.303 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.266 1.687 25.697 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.544 3.124 27.988 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.224 2.443 26.376 1.00 0.36 C ATOM 623 CZ TYR A 39 6.865 3.164 27.524 1.00 0.39 C ATOM 624 OH TYR A 39 7.811 3.910 28.196 1.00 0.45 O ATOM 0 H TYR A 39 1.604 1.033 26.533 1.00 0.19 H new ATOM 0 HA TYR A 39 3.152 2.626 24.474 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.534 0.055 26.101 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.413 0.292 24.603 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.567 2.334 27.658 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.544 1.130 24.814 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.265 3.677 28.873 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.242 2.472 26.017 1.00 0.36 H new ATOM 0 HH TYR A 39 8.676 3.828 27.742 1.00 0.45 H new ATOM 634 N VAL A 40 2.484 1.022 22.588 1.00 0.21 N ATOM 635 CA VAL A 40 1.870 0.175 21.522 1.00 0.22 C ATOM 636 C VAL A 40 2.956 -0.493 20.674 1.00 0.22 C ATOM 637 O VAL A 40 3.758 0.167 20.043 1.00 0.23 O ATOM 638 CB VAL A 40 1.044 1.138 20.671 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.491 0.392 19.454 1.00 0.27 C ATOM 640 CG2 VAL A 40 -0.117 1.681 21.505 1.00 0.27 C ATOM 0 H VAL A 40 3.238 1.637 22.281 1.00 0.21 H new ATOM 0 HA VAL A 40 1.260 -0.626 21.940 1.00 0.22 H new ATOM 0 HB VAL A 40 1.672 1.964 20.338 1.00 0.25 H new ATOM 0 HG11 VAL A 40 -0.099 1.077 18.845 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.317 -0.001 18.862 1.00 0.27 H new ATOM 0 HG13 VAL A 40 -0.140 -0.432 19.788 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.709 2.369 20.901 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.746 0.854 21.835 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.275 2.208 22.375 1.00 0.27 H new ATOM 650 N ASP A 41 2.968 -1.798 20.626 1.00 0.21 N ATOM 651 CA ASP A 41 3.976 -2.502 19.782 1.00 0.22 C ATOM 652 C ASP A 41 3.403 -3.816 19.241 1.00 0.25 C ATOM 653 O ASP A 41 2.546 -4.419 19.846 1.00 0.27 O ATOM 654 CB ASP A 41 5.156 -2.775 20.717 1.00 0.20 C ATOM 655 CG ASP A 41 4.734 -3.761 21.807 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.551 -4.037 21.906 1.00 1.77 O ATOM 657 OD2 ASP A 41 5.605 -4.226 22.525 1.00 1.69 O ATOM 0 H ASP A 41 2.325 -2.406 21.133 1.00 0.21 H new ATOM 0 HA ASP A 41 4.269 -1.909 18.916 1.00 0.22 H new ATOM 0 HB2 ASP A 41 5.994 -3.181 20.151 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.498 -1.844 21.168 1.00 0.20 H new ATOM 662 N ASP A 42 3.981 -4.338 18.196 1.00 0.27 N ATOM 663 CA ASP A 42 3.597 -5.702 17.723 1.00 0.33 C ATOM 664 C ASP A 42 2.076 -5.907 17.764 1.00 0.33 C ATOM 665 O ASP A 42 1.600 -6.989 18.040 1.00 0.37 O ATOM 666 CB ASP A 42 4.293 -6.653 18.693 1.00 0.38 C ATOM 667 CG ASP A 42 3.961 -8.099 18.320 1.00 0.45 C ATOM 668 OD1 ASP A 42 3.372 -8.300 17.272 1.00 1.14 O ATOM 669 OD2 ASP A 42 4.305 -8.982 19.090 1.00 1.22 O ATOM 0 H ASP A 42 4.706 -3.879 17.645 1.00 0.27 H new ATOM 0 HA ASP A 42 3.891 -5.868 16.687 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.371 -6.497 18.661 1.00 0.38 H new ATOM 0 HB3 ASP A 42 3.971 -6.447 19.714 1.00 0.38 H new ATOM 674 N GLU A 43 1.314 -4.917 17.391 1.00 0.30 N ATOM 675 CA GLU A 43 -0.166 -5.108 17.297 1.00 0.31 C ATOM 676 C GLU A 43 -0.741 -5.532 18.652 1.00 0.30 C ATOM 677 O GLU A 43 -1.897 -5.885 18.762 1.00 0.31 O ATOM 678 CB GLU A 43 -0.355 -6.218 16.262 1.00 0.35 C ATOM 679 CG GLU A 43 -1.841 -6.365 15.932 1.00 1.17 C ATOM 680 CD GLU A 43 -2.038 -7.533 14.963 1.00 1.34 C ATOM 681 OE1 GLU A 43 -1.052 -8.167 14.626 1.00 1.68 O ATOM 682 OE2 GLU A 43 -3.169 -7.772 14.576 1.00 1.93 O ATOM 0 H GLU A 43 1.648 -3.985 17.147 1.00 0.30 H new ATOM 0 HA GLU A 43 -0.681 -4.190 17.013 1.00 0.31 H new ATOM 0 HB2 GLU A 43 0.207 -5.985 15.358 1.00 0.35 H new ATOM 0 HB3 GLU A 43 0.037 -7.159 16.648 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -2.411 -6.536 16.845 1.00 1.17 H new ATOM 0 HG3 GLU A 43 -2.218 -5.444 15.488 1.00 1.17 H new ATOM 689 N LYS A 44 0.022 -5.391 19.696 1.00 0.29 N ATOM 690 CA LYS A 44 -0.521 -5.662 21.058 1.00 0.30 C ATOM 691 C LYS A 44 -0.261 -4.459 21.965 1.00 0.27 C ATOM 692 O LYS A 44 0.488 -3.563 21.623 1.00 0.26 O ATOM 693 CB LYS A 44 0.232 -6.897 21.563 1.00 0.34 C ATOM 694 CG LYS A 44 1.697 -6.543 21.824 1.00 1.29 C ATOM 695 CD LYS A 44 2.458 -7.800 22.249 1.00 1.23 C ATOM 696 CE LYS A 44 3.828 -7.404 22.804 1.00 1.90 C ATOM 697 NZ LYS A 44 4.774 -8.412 22.248 1.00 2.01 N ATOM 0 H LYS A 44 0.999 -5.100 19.668 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.598 -5.833 21.048 1.00 0.30 H new ATOM 0 HB2 LYS A 44 -0.230 -7.267 22.478 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.168 -7.699 20.827 1.00 0.34 H new ATOM 0 HG2 LYS A 44 2.146 -6.120 20.925 1.00 1.29 H new ATOM 0 HG3 LYS A 44 1.765 -5.783 22.602 1.00 1.29 H new ATOM 0 HD2 LYS A 44 1.891 -8.343 23.005 1.00 1.23 H new ATOM 0 HD3 LYS A 44 2.578 -8.470 21.398 1.00 1.23 H new ATOM 0 HE2 LYS A 44 4.102 -6.394 22.497 1.00 1.90 H new ATOM 0 HE3 LYS A 44 3.832 -7.418 23.894 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 5.752 -8.114 22.441 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 4.599 -9.335 22.693 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 4.633 -8.491 21.221 1.00 2.01 H new ATOM 711 N ILE A 45 -0.928 -4.390 23.082 1.00 0.28 N ATOM 712 CA ILE A 45 -0.780 -3.198 23.961 1.00 0.27 C ATOM 713 C ILE A 45 0.228 -3.482 25.076 1.00 0.27 C ATOM 714 O ILE A 45 0.187 -4.516 25.714 1.00 0.29 O ATOM 715 CB ILE A 45 -2.174 -2.968 24.542 1.00 0.30 C ATOM 716 CG1 ILE A 45 -3.177 -2.800 23.399 1.00 0.34 C ATOM 717 CG2 ILE A 45 -2.166 -1.704 25.404 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.598 -2.844 23.958 1.00 1.25 C ATOM 0 H ILE A 45 -1.568 -5.106 23.424 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.412 -2.326 23.420 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.459 -3.823 25.156 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -3.005 -1.853 22.887 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -3.040 -3.591 22.662 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -3.161 -1.540 25.818 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.449 -1.822 26.217 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -1.882 -0.848 24.792 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.313 -2.724 23.144 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.766 -3.802 24.450 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.731 -2.037 24.679 1.00 1.25 H new ATOM 730 N ILE A 46 1.115 -2.558 25.325 1.00 0.26 N ATOM 731 CA ILE A 46 2.118 -2.744 26.412 1.00 0.29 C ATOM 732 C ILE A 46 1.875 -1.720 27.525 1.00 0.29 C ATOM 733 O ILE A 46 1.929 -0.531 27.304 1.00 0.31 O ATOM 734 CB ILE A 46 3.472 -2.496 25.735 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.657 -3.488 24.583 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.606 -2.663 26.750 1.00 0.37 C ATOM 737 CD1 ILE A 46 3.306 -4.897 25.056 1.00 0.50 C ATOM 0 H ILE A 46 1.188 -1.676 24.818 1.00 0.26 H new ATOM 0 HA ILE A 46 2.065 -3.731 26.871 1.00 0.29 H new ATOM 0 HB ILE A 46 3.495 -1.478 25.345 1.00 0.32 H new ATOM 0 HG12 ILE A 46 3.022 -3.207 23.743 1.00 0.44 H new ATOM 0 HG13 ILE A 46 4.687 -3.459 24.227 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.563 -2.485 26.259 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.476 -1.947 27.562 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.588 -3.676 27.153 1.00 0.37 H new ATOM 0 HD11 ILE A 46 3.439 -5.600 24.234 1.00 0.50 H new ATOM 0 HD12 ILE A 46 3.960 -5.177 25.882 1.00 0.50 H new ATOM 0 HD13 ILE A 46 2.269 -4.921 25.390 1.00 0.50 H new ATOM 749 N LEU A 47 1.598 -2.170 28.717 1.00 0.28 N ATOM 750 CA LEU A 47 1.347 -1.205 29.830 1.00 0.29 C ATOM 751 C LEU A 47 2.422 -1.350 30.908 1.00 0.31 C ATOM 752 O LEU A 47 2.771 -2.443 31.304 1.00 0.39 O ATOM 753 CB LEU A 47 -0.019 -1.584 30.392 1.00 0.34 C ATOM 754 CG LEU A 47 -1.068 -1.523 29.281 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.982 -2.786 28.423 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.462 -1.423 29.902 1.00 1.24 C ATOM 0 H LEU A 47 1.534 -3.156 28.970 1.00 0.28 H new ATOM 0 HA LEU A 47 1.373 -0.171 29.486 1.00 0.29 H new ATOM 0 HB2 LEU A 47 0.017 -2.587 30.817 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.291 -0.905 31.200 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.883 -0.649 28.657 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.731 -2.740 27.632 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.011 -2.857 27.979 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.165 -3.662 29.045 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.210 -1.379 29.111 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.645 -2.297 30.527 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.525 -0.521 30.511 1.00 1.24 H new ATOM 768 N LYS A 48 2.942 -0.257 31.386 1.00 0.29 N ATOM 769 CA LYS A 48 3.995 -0.332 32.440 1.00 0.35 C ATOM 770 C LYS A 48 3.797 0.780 33.471 1.00 0.28 C ATOM 771 O LYS A 48 3.193 1.796 33.191 1.00 0.25 O ATOM 772 CB LYS A 48 5.317 -0.145 31.694 1.00 0.47 C ATOM 773 CG LYS A 48 5.306 1.194 30.952 1.00 0.65 C ATOM 774 CD LYS A 48 6.629 1.370 30.205 1.00 0.85 C ATOM 775 CE LYS A 48 6.665 0.431 28.998 1.00 1.54 C ATOM 776 NZ LYS A 48 7.495 -0.725 29.435 1.00 1.74 N ATOM 0 H LYS A 48 2.685 0.686 31.094 1.00 0.29 H new ATOM 0 HA LYS A 48 3.965 -1.275 32.985 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.150 -0.175 32.397 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.466 -0.962 30.988 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.472 1.227 30.251 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.162 2.012 31.657 1.00 0.65 H new ATOM 0 HD2 LYS A 48 6.739 2.404 29.878 1.00 0.85 H new ATOM 0 HD3 LYS A 48 7.465 1.156 30.870 1.00 0.85 H new ATOM 0 HE2 LYS A 48 5.662 0.112 28.716 1.00 1.54 H new ATOM 0 HE3 LYS A 48 7.100 0.923 28.128 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.416 -0.693 28.953 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 7.641 -0.679 30.464 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 7.009 -1.612 29.194 1.00 1.74 H new ATOM 790 N LYS A 49 4.342 0.622 34.646 1.00 0.28 N ATOM 791 CA LYS A 49 4.227 1.702 35.666 1.00 0.25 C ATOM 792 C LYS A 49 4.813 3.001 35.118 1.00 0.22 C ATOM 793 O LYS A 49 5.717 2.994 34.306 1.00 0.24 O ATOM 794 CB LYS A 49 5.037 1.213 36.863 1.00 0.29 C ATOM 795 CG LYS A 49 4.917 2.218 38.008 1.00 0.30 C ATOM 796 CD LYS A 49 5.790 1.764 39.181 1.00 0.54 C ATOM 797 CE LYS A 49 5.556 2.685 40.380 1.00 1.08 C ATOM 798 NZ LYS A 49 6.825 2.636 41.156 1.00 1.65 N ATOM 0 H LYS A 49 4.860 -0.205 34.943 1.00 0.28 H new ATOM 0 HA LYS A 49 3.191 1.905 35.937 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.676 0.236 37.184 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.083 1.090 36.582 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.228 3.207 37.672 1.00 0.30 H new ATOM 0 HG3 LYS A 49 3.878 2.301 38.325 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.551 0.735 39.448 1.00 0.54 H new ATOM 0 HD3 LYS A 49 6.841 1.783 38.894 1.00 0.54 H new ATOM 0 HE2 LYS A 49 5.329 3.701 40.059 1.00 1.08 H new ATOM 0 HE3 LYS A 49 4.713 2.345 40.981 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 6.742 3.244 41.996 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 7.012 1.657 41.454 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 7.609 2.972 40.561 1.00 1.65 H new ATOM 812 N TYR A 50 4.262 4.114 35.504 1.00 0.20 N ATOM 813 CA TYR A 50 4.740 5.410 34.946 1.00 0.21 C ATOM 814 C TYR A 50 5.612 6.144 35.966 1.00 0.22 C ATOM 815 O TYR A 50 5.144 6.571 37.002 1.00 0.22 O ATOM 816 CB TYR A 50 3.467 6.207 34.656 1.00 0.20 C ATOM 817 CG TYR A 50 3.827 7.539 34.043 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.977 7.662 33.254 1.00 0.26 C ATOM 819 CD2 TYR A 50 3.010 8.652 34.266 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.308 8.899 32.691 1.00 0.30 C ATOM 821 CE2 TYR A 50 3.341 9.889 33.703 1.00 0.28 C ATOM 822 CZ TYR A 50 4.490 10.014 32.915 1.00 0.30 C ATOM 823 OH TYR A 50 4.818 11.233 32.359 1.00 0.35 O ATOM 0 H TYR A 50 3.502 4.185 36.181 1.00 0.20 H new ATOM 0 HA TYR A 50 5.351 5.273 34.054 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.822 5.647 33.979 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.905 6.360 35.577 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.608 6.803 33.080 1.00 0.26 H new ATOM 0 HD2 TYR A 50 2.122 8.556 34.874 1.00 0.24 H new ATOM 0 HE1 TYR A 50 6.195 8.995 32.083 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.709 10.748 33.877 1.00 0.28 H new ATOM 0 HH TYR A 50 4.145 11.899 32.612 1.00 0.35 H new ATOM 995 N VAL B 9 -0.149 8.477 28.758 1.00 0.32 N ATOM 996 CA VAL B 9 -0.374 7.963 30.141 1.00 0.29 C ATOM 997 C VAL B 9 -1.802 8.260 30.606 1.00 0.32 C ATOM 998 O VAL B 9 -2.363 9.296 30.313 1.00 0.37 O ATOM 999 CB VAL B 9 0.642 8.699 31.014 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.428 8.313 32.479 1.00 0.27 C ATOM 1001 CG2 VAL B 9 2.058 8.303 30.592 1.00 0.30 C ATOM 0 HA VAL B 9 -0.250 6.882 30.196 1.00 0.29 H new ATOM 0 HB VAL B 9 0.511 9.774 30.894 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.152 8.837 33.103 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.581 8.589 32.784 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.561 7.237 32.595 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.783 8.828 31.214 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.186 7.227 30.713 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.215 8.571 29.547 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.373 7.367 31.368 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.745 7.598 31.906 1.00 0.36 C ATOM 1013 C ARG B 10 -3.766 7.310 33.410 1.00 0.31 C ATOM 1014 O ARG B 10 -2.889 6.656 33.935 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.640 6.612 31.156 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.102 6.857 31.538 1.00 0.74 C ATOM 1017 CD ARG B 10 -6.993 5.832 30.832 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.386 6.242 31.164 1.00 1.14 N ATOM 1019 CZ ARG B 10 -8.860 6.041 32.365 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.117 5.480 33.280 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.080 6.404 32.650 1.00 1.92 N ATOM 0 H ARG B 10 -1.946 6.482 31.643 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.079 8.627 31.770 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.509 6.731 30.080 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.356 5.588 31.400 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.225 6.778 32.618 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.398 7.867 31.256 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.825 5.838 29.755 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.785 4.821 31.181 1.00 0.87 H new ATOM 0 HE ARG B 10 -8.971 6.680 30.453 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.162 5.197 33.059 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -8.491 5.325 34.216 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.661 6.843 31.936 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -10.453 6.248 33.587 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.738 7.821 34.114 1.00 0.33 N ATOM 1036 CA LYS B 11 -4.779 7.600 35.589 1.00 0.30 C ATOM 1037 C LYS B 11 -5.471 6.272 35.912 1.00 0.26 C ATOM 1038 O LYS B 11 -6.370 5.844 35.214 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.588 8.774 36.143 1.00 0.34 C ATOM 1040 CG LYS B 11 -4.936 10.092 35.717 1.00 1.03 C ATOM 1041 CD LYS B 11 -3.539 10.193 36.332 1.00 1.03 C ATOM 1042 CE LYS B 11 -2.965 11.587 36.069 1.00 1.81 C ATOM 1043 NZ LYS B 11 -1.540 11.355 35.702 1.00 2.21 N ATOM 0 H LYS B 11 -5.503 8.380 33.735 1.00 0.33 H new ATOM 0 HA LYS B 11 -3.781 7.549 36.024 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -6.613 8.728 35.776 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -5.636 8.715 37.230 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -4.871 10.143 34.630 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -5.549 10.934 36.040 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -3.588 10.005 37.404 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -2.886 9.432 35.904 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -3.503 12.090 35.265 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -3.047 12.220 36.952 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -1.079 12.267 35.507 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -1.052 10.881 36.489 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -1.493 10.755 34.854 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.066 5.623 36.970 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.707 4.329 37.346 1.00 0.22 C ATOM 1059 C VAL B 12 -7.004 4.599 38.111 1.00 0.20 C ATOM 1060 O VAL B 12 -7.030 5.378 39.042 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.698 3.630 38.259 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.072 2.156 38.397 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.293 3.749 37.666 1.00 0.29 C ATOM 0 H VAL B 12 -4.318 5.933 37.591 1.00 0.23 H new ATOM 0 HA VAL B 12 -5.956 3.724 36.474 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.713 4.103 39.241 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.353 1.658 39.047 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.070 2.073 38.828 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.060 1.684 37.415 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.578 3.250 38.320 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.273 3.281 36.682 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.025 4.802 37.573 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.081 3.973 37.726 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.366 4.221 38.437 1.00 0.21 C ATOM 1075 C ASP B 13 -9.470 3.324 39.677 1.00 0.22 C ATOM 1076 O ASP B 13 -8.504 2.719 40.098 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.466 3.904 37.410 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.870 2.430 37.499 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.222 1.613 36.870 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.823 2.141 38.202 1.00 0.55 O ATOM 0 H ASP B 13 -8.128 3.306 36.956 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.451 5.246 38.798 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.335 4.537 37.591 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.110 4.130 36.405 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.593 3.350 40.341 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.708 2.633 41.645 1.00 0.26 C ATOM 1087 C GLU B 14 -10.297 1.159 41.523 1.00 0.26 C ATOM 1088 O GLU B 14 -9.737 0.594 42.442 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.186 2.743 42.020 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.404 2.153 43.415 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.897 2.170 43.750 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.667 2.597 42.905 1.00 2.19 O ATOM 1093 OE2 GLU B 14 -14.244 1.754 44.842 1.00 1.99 O ATOM 0 H GLU B 14 -11.437 3.837 40.038 1.00 0.23 H new ATOM 0 HA GLU B 14 -10.048 3.066 42.396 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.500 3.787 42.002 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.798 2.213 41.290 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -12.024 1.132 43.453 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -11.848 2.728 44.155 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.691 0.493 40.473 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.450 -0.981 40.408 1.00 0.25 C ATOM 1102 C LEU B 15 -9.071 -1.304 39.818 1.00 0.23 C ATOM 1103 O LEU B 15 -8.696 -2.454 39.708 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.554 -1.534 39.508 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.306 -3.026 39.267 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.011 -3.720 40.599 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.551 -3.650 38.632 1.00 1.39 C ATOM 0 H LEU B 15 -11.164 0.897 39.665 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.466 -1.424 41.404 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.528 -1.386 39.974 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.569 -0.998 38.559 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.453 -3.149 38.599 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -10.835 -4.782 40.425 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.126 -3.275 41.053 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -11.862 -3.598 41.269 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.378 -4.712 38.459 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.402 -3.525 39.301 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.761 -3.157 37.683 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.329 -0.320 39.398 1.00 0.21 N ATOM 1120 CA GLY B 16 -7.003 -0.616 38.779 1.00 0.20 C ATOM 1121 C GLY B 16 -7.204 -1.049 37.324 1.00 0.21 C ATOM 1122 O GLY B 16 -6.678 -2.055 36.882 1.00 0.21 O ATOM 0 H GLY B 16 -8.577 0.668 39.454 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.364 0.266 38.822 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.497 -1.403 39.337 1.00 0.20 H new ATOM 1126 N ARG B 17 -8.000 -0.326 36.588 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.275 -0.721 35.180 1.00 0.27 C ATOM 1128 C ARG B 17 -7.747 0.353 34.226 1.00 0.26 C ATOM 1129 O ARG B 17 -7.612 1.506 34.586 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.797 -0.824 35.092 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.280 -1.964 35.991 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.800 -2.093 35.885 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.333 -0.851 36.507 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.597 -0.776 36.840 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.402 -1.774 36.590 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.057 0.299 37.421 1.00 1.14 N ATOM 0 H ARG B 17 -8.472 0.522 36.901 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.790 -1.657 34.904 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.255 0.116 35.400 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -10.102 -1.004 34.061 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.804 -2.899 35.696 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -9.993 -1.772 37.025 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.118 -2.182 34.846 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.159 -2.981 36.406 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.714 -0.058 36.674 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -14.046 -2.614 36.134 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.386 -1.713 36.851 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.432 1.081 37.616 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.042 0.357 37.680 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.432 -0.019 33.017 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.894 0.977 32.047 1.00 0.26 C ATOM 1152 C VAL B 18 -7.732 0.965 30.769 1.00 0.24 C ATOM 1153 O VAL B 18 -8.386 -0.008 30.456 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.465 0.518 31.758 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.670 0.466 33.064 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.497 -0.876 31.126 1.00 0.26 C ATOM 0 H VAL B 18 -7.524 -0.969 32.658 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.921 1.994 32.437 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.990 1.219 31.072 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.651 0.139 32.857 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.648 1.458 33.516 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.144 -0.235 33.751 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.479 -1.205 30.919 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -5.972 -1.576 31.813 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -6.063 -0.841 30.195 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.774 2.062 30.065 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.640 2.133 28.855 1.00 0.22 C ATOM 1168 C VAL B 19 -7.787 2.214 27.588 1.00 0.22 C ATOM 1169 O VAL B 19 -6.872 3.008 27.494 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.455 3.413 29.031 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.517 3.499 27.934 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -10.135 3.398 30.401 1.00 0.24 C ATOM 0 H VAL B 19 -7.248 2.910 30.274 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.273 1.252 28.751 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.794 4.277 28.962 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -11.098 4.413 28.061 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -10.032 3.510 26.958 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -11.179 2.636 28.000 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.717 4.311 30.528 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.796 2.534 30.470 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.378 3.339 31.183 1.00 0.24 H new ATOM 1182 N ILE B 20 -8.135 1.460 26.583 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.407 1.564 25.288 1.00 0.24 C ATOM 1184 C ILE B 20 -7.975 2.729 24.471 1.00 0.24 C ATOM 1185 O ILE B 20 -9.171 2.849 24.325 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.664 0.222 24.594 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.657 -0.812 25.103 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.510 0.372 23.079 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -6.952 -1.134 26.569 1.00 1.38 C ATOM 0 H ILE B 20 -8.892 0.776 26.602 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.341 1.756 25.409 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.679 -0.105 24.818 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.716 -1.719 24.502 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -5.642 -0.427 25.001 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.695 -0.588 22.598 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.227 1.106 22.711 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.498 0.705 22.847 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -6.235 -1.870 26.931 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -6.871 -0.225 27.165 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -7.961 -1.537 26.657 1.00 1.38 H new ATOM 1201 N PRO B 21 -7.095 3.520 23.923 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.525 4.650 23.062 1.00 0.30 C ATOM 1203 C PRO B 21 -8.362 4.127 21.891 1.00 0.28 C ATOM 1204 O PRO B 21 -8.109 3.063 21.365 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.216 5.270 22.568 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.137 4.289 22.915 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.642 3.442 24.050 1.00 0.32 C ATOM 0 HA PRO B 21 -8.146 5.374 23.589 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.250 5.448 21.493 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -6.036 6.233 23.046 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.892 3.668 22.053 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.224 4.810 23.203 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.288 2.414 23.970 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.304 3.822 25.014 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.374 4.850 21.497 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.243 4.365 20.385 1.00 0.30 C ATOM 1217 C ILE B 22 -9.402 4.071 19.142 1.00 0.33 C ATOM 1218 O ILE B 22 -9.692 3.167 18.385 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.215 5.513 20.111 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.345 5.019 19.204 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.472 6.659 19.422 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -13.162 3.954 19.936 1.00 1.11 C ATOM 0 H ILE B 22 -9.637 5.752 21.894 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.762 3.442 20.643 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.633 5.867 21.053 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -12.987 5.852 18.919 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -11.932 4.606 18.284 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.165 7.477 19.227 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.668 7.011 20.068 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -10.053 6.306 18.480 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -13.966 3.604 19.289 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -12.516 3.116 20.198 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -13.587 4.382 20.844 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.344 4.804 18.940 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.475 4.535 17.761 1.00 0.40 C ATOM 1236 C GLU B 23 -6.967 3.092 17.810 1.00 0.37 C ATOM 1237 O GLU B 23 -6.859 2.423 16.800 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.311 5.517 17.898 1.00 0.44 C ATOM 1239 CG GLU B 23 -5.416 5.423 16.661 1.00 1.22 C ATOM 1240 CD GLU B 23 -4.195 6.326 16.847 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -4.089 6.939 17.897 1.00 2.00 O ATOM 1242 OE2 GLU B 23 -3.386 6.389 15.935 1.00 2.37 O ATOM 0 H GLU B 23 -8.044 5.575 19.537 1.00 0.36 H new ATOM 0 HA GLU B 23 -8.003 4.659 16.815 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -6.690 6.533 18.010 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.735 5.291 18.795 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -5.099 4.392 16.505 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -5.972 5.723 15.773 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.687 2.601 18.986 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.224 1.191 19.120 1.00 0.33 C ATOM 1251 C LEU B 24 -7.412 0.228 19.071 1.00 0.29 C ATOM 1252 O LEU B 24 -7.309 -0.864 18.552 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.527 1.127 20.478 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.277 2.010 20.452 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.501 1.835 21.760 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.390 1.598 19.276 1.00 1.75 C ATOM 0 H LEU B 24 -6.759 3.117 19.863 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.557 0.900 18.309 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.205 1.461 21.263 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.253 0.098 20.710 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.571 3.054 20.341 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.611 2.464 21.742 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.133 2.125 22.600 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.206 0.792 21.871 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.499 2.225 19.255 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.096 0.554 19.390 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -3.942 1.720 18.344 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.558 0.640 19.546 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.749 -0.251 19.442 1.00 0.23 C ATOM 1270 C ARG B 25 -9.998 -0.590 17.972 1.00 0.26 C ATOM 1271 O ARG B 25 -10.320 -1.709 17.627 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.930 0.555 19.991 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.701 0.922 21.459 1.00 0.21 C ATOM 1274 CD ARG B 25 -11.986 1.539 22.024 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.562 2.307 23.226 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.326 3.253 23.704 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.475 3.518 23.142 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -11.941 3.932 24.750 1.00 0.27 N ATOM 0 H ARG B 25 -8.719 1.541 19.995 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.610 -1.182 19.992 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.063 1.462 19.401 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.848 -0.025 19.895 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.426 0.036 22.030 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.874 1.627 21.547 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.464 2.189 21.291 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.710 0.767 22.286 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.673 2.094 23.678 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.779 2.986 22.327 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -14.068 4.257 23.518 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -11.046 3.724 25.192 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.535 4.671 25.125 1.00 0.27 H new ATOM 1292 N ARG B 26 -9.903 0.386 17.110 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.193 0.137 15.669 1.00 0.33 C ATOM 1294 C ARG B 26 -9.062 -0.665 15.022 1.00 0.35 C ATOM 1295 O ARG B 26 -9.294 -1.641 14.335 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.285 1.529 15.043 1.00 0.37 C ATOM 1297 CG ARG B 26 -11.475 2.282 15.640 1.00 1.07 C ATOM 1298 CD ARG B 26 -11.632 3.632 14.937 1.00 1.25 C ATOM 1299 NE ARG B 26 -12.676 4.352 15.718 1.00 1.86 N ATOM 1300 CZ ARG B 26 -13.937 4.045 15.568 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -14.289 3.104 14.734 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -14.847 4.679 16.256 1.00 3.27 N ATOM 0 H ARG B 26 -9.638 1.343 17.341 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.106 -0.441 15.529 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -9.363 2.082 15.225 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -10.399 1.446 13.962 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -12.385 1.693 15.526 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.324 2.432 16.709 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -10.693 4.185 14.929 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -11.935 3.503 13.898 1.00 1.25 H new ATOM 0 HE ARG B 26 -12.406 5.087 16.372 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -13.579 2.606 14.197 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -15.274 2.867 14.619 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -14.573 5.413 16.909 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -15.832 4.441 16.140 1.00 3.27 H new ATOM 1316 N THR B 27 -7.842 -0.244 15.207 1.00 0.37 N ATOM 1317 CA THR B 27 -6.696 -0.955 14.566 1.00 0.41 C ATOM 1318 C THR B 27 -6.576 -2.386 15.101 1.00 0.39 C ATOM 1319 O THR B 27 -6.109 -3.274 14.415 1.00 0.42 O ATOM 1320 CB THR B 27 -5.461 -0.136 14.940 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.654 1.215 14.540 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.233 -0.710 14.232 1.00 0.77 C ATOM 0 H THR B 27 -7.587 0.563 15.775 1.00 0.37 H new ATOM 0 HA THR B 27 -6.821 -1.038 13.486 1.00 0.41 H new ATOM 0 HB THR B 27 -5.307 -0.178 16.018 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.045 1.723 15.281 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.353 -0.125 14.499 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.087 -1.746 14.538 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.382 -0.668 13.153 1.00 0.77 H new ATOM 1330 N LEU B 28 -6.923 -2.603 16.338 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.753 -3.963 16.927 1.00 0.35 C ATOM 1332 C LEU B 28 -7.991 -4.829 16.659 1.00 0.33 C ATOM 1333 O LEU B 28 -8.012 -6.005 16.963 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.571 -3.726 18.426 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.064 -5.009 19.086 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.606 -5.248 18.686 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.159 -4.869 20.607 1.00 1.05 C ATOM 0 H LEU B 28 -7.316 -1.902 16.966 1.00 0.35 H new ATOM 0 HA LEU B 28 -5.906 -4.494 16.492 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.864 -2.914 18.594 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.517 -3.423 18.875 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.672 -5.852 18.758 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.245 -6.162 19.157 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.537 -5.346 17.603 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -3.996 -4.406 19.014 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -5.798 -5.782 21.080 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.550 -4.026 20.934 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.197 -4.698 20.893 1.00 1.05 H new ATOM 1349 N GLY B 29 -9.014 -4.267 16.075 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.230 -5.076 15.771 1.00 0.32 C ATOM 1351 C GLY B 29 -10.894 -5.515 17.076 1.00 0.29 C ATOM 1352 O GLY B 29 -11.308 -6.649 17.223 1.00 0.29 O ATOM 0 H GLY B 29 -9.061 -3.287 15.796 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -10.929 -4.490 15.175 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -9.959 -5.949 15.177 1.00 0.32 H new ATOM 1356 N ILE B 30 -10.977 -4.638 18.036 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.590 -5.018 19.340 1.00 0.24 C ATOM 1358 C ILE B 30 -12.860 -4.205 19.598 1.00 0.23 C ATOM 1359 O ILE B 30 -12.926 -3.023 19.321 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.529 -4.702 20.392 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.248 -5.475 20.068 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.039 -5.118 21.773 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.587 -6.949 19.833 1.00 0.30 C ATOM 0 H ILE B 30 -10.647 -3.675 17.975 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.882 -6.068 19.359 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.321 -3.632 20.390 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.771 -5.055 19.182 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.536 -5.381 20.888 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.282 -4.892 22.524 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -11.953 -4.570 22.004 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.246 -6.188 21.777 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.675 -7.500 19.602 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.045 -7.365 20.731 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.283 -7.034 18.998 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.882 -4.848 20.086 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.175 -4.149 20.325 1.00 0.23 C ATOM 1377 C ALA B 31 -15.820 -4.667 21.614 1.00 0.20 C ATOM 1378 O ALA B 31 -15.392 -5.652 22.182 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.043 -4.503 19.118 1.00 0.23 C ATOM 0 H ALA B 31 -13.877 -5.838 20.332 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.050 -3.072 20.438 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -17.017 -4.025 19.218 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.559 -4.153 18.206 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.173 -5.584 19.068 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.841 -4.008 22.084 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.503 -4.459 23.342 1.00 0.21 C ATOM 1387 C GLU B 32 -17.909 -5.933 23.236 1.00 0.19 C ATOM 1388 O GLU B 32 -18.323 -6.399 22.195 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.741 -3.572 23.473 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.436 -3.856 24.806 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.731 -3.046 24.889 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -21.033 -2.349 23.936 1.00 1.13 O ATOM 1393 OE2 GLU B 32 -21.399 -3.139 25.906 1.00 1.12 O ATOM 0 H GLU B 32 -17.247 -3.177 21.653 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.844 -4.376 24.206 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.456 -2.521 23.416 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.426 -3.761 22.646 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.654 -4.920 24.895 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.778 -3.595 25.634 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.848 -6.648 24.331 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.291 -8.079 24.350 1.00 0.20 C ATOM 1402 C LYS B 33 -17.272 -8.984 23.646 1.00 0.18 C ATOM 1403 O LYS B 33 -17.366 -10.194 23.710 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.634 -8.106 23.616 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.373 -9.401 23.960 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.691 -9.460 23.185 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.506 -10.667 23.654 1.00 1.35 C ATOM 1408 NZ LYS B 33 -23.044 -10.274 24.986 1.00 1.88 N ATOM 0 H LYS B 33 -17.506 -6.297 25.226 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.380 -8.452 25.370 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.236 -7.243 23.903 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.475 -8.040 22.540 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.754 -10.263 23.710 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.567 -9.448 25.032 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.258 -8.542 23.341 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.493 -9.535 22.116 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -23.311 -10.896 22.955 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -21.884 -11.559 23.727 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -22.715 -10.948 25.706 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -22.710 -9.319 25.227 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -24.084 -10.280 24.956 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.246 -8.424 23.065 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.176 -9.280 22.472 1.00 0.16 C ATOM 1424 C ASP B 34 -14.276 -9.834 23.579 1.00 0.19 C ATOM 1425 O ASP B 34 -14.370 -9.432 24.720 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.388 -8.360 21.545 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.217 -8.076 20.294 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.262 -8.687 20.146 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.790 -7.253 19.505 1.00 1.09 O ATOM 0 H ASP B 34 -16.102 -7.418 22.975 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.584 -10.136 21.933 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.149 -7.428 22.056 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.441 -8.825 21.270 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.471 -10.814 23.269 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.644 -11.456 24.331 1.00 0.28 C ATOM 1436 C ALA B 35 -11.188 -10.981 24.251 1.00 0.20 C ATOM 1437 O ALA B 35 -10.550 -11.068 23.221 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.734 -12.954 24.043 1.00 0.36 C ATOM 0 H ALA B 35 -13.350 -11.196 22.331 1.00 0.22 H new ATOM 0 HA ALA B 35 -12.997 -11.204 25.331 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.150 -13.502 24.782 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.775 -13.272 24.094 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.341 -13.157 23.047 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.632 -10.580 25.362 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.187 -10.216 25.395 1.00 0.21 C ATOM 1446 C LEU B 36 -8.408 -11.292 26.153 1.00 0.19 C ATOM 1447 O LEU B 36 -8.846 -11.759 27.184 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.124 -8.901 26.171 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.157 -7.919 25.621 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.393 -6.822 26.657 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.630 -7.297 24.326 1.00 0.56 C ATOM 0 H LEU B 36 -11.120 -10.489 26.253 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.760 -10.127 24.396 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.312 -9.084 27.229 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.125 -8.472 26.094 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.092 -8.439 25.414 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.129 -6.114 26.276 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.762 -7.267 27.581 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.456 -6.301 26.855 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.367 -6.596 23.933 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.699 -6.769 24.529 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.449 -8.083 23.592 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.209 -11.589 25.742 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.371 -12.515 26.555 1.00 0.20 C ATOM 1465 C GLU B 37 -5.244 -11.733 27.230 1.00 0.18 C ATOM 1466 O GLU B 37 -4.733 -10.771 26.689 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.824 -13.543 25.567 1.00 0.24 C ATOM 1468 CG GLU B 37 -5.059 -14.629 26.326 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.461 -15.625 25.330 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.623 -15.411 24.139 1.00 1.07 O ATOM 1471 OE2 GLU B 37 -3.855 -16.585 25.774 1.00 1.17 O ATOM 0 H GLU B 37 -6.775 -11.236 24.889 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.935 -13.002 27.350 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.642 -13.989 25.001 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.166 -13.056 24.847 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.268 -14.179 26.926 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.727 -15.145 27.015 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.975 -12.035 28.469 1.00 0.20 N ATOM 1479 CA ILE B 38 -4.029 -11.197 29.255 1.00 0.20 C ATOM 1480 C ILE B 38 -2.721 -11.949 29.496 1.00 0.19 C ATOM 1481 O ILE B 38 -2.714 -13.100 29.901 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.744 -10.929 30.579 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -6.089 -10.254 30.303 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.883 -10.010 31.447 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.859 -10.093 31.615 1.00 0.84 C ATOM 0 H ILE B 38 -5.371 -12.829 28.972 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.770 -10.275 28.735 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.909 -11.872 31.100 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.931 -9.280 29.840 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.670 -10.851 29.599 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.393 -9.819 32.391 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.923 -10.489 31.643 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.718 -9.067 30.926 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.817 -9.612 31.418 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -7.030 -11.074 32.059 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -6.279 -9.478 32.304 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.623 -11.293 29.242 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.285 -11.919 29.429 1.00 0.20 C ATOM 1499 C TYR B 39 0.503 -11.156 30.497 1.00 0.20 C ATOM 1500 O TYR B 39 0.301 -9.975 30.696 1.00 0.19 O ATOM 1501 CB TYR B 39 0.398 -11.754 28.075 1.00 0.23 C ATOM 1502 CG TYR B 39 -0.066 -12.815 27.114 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.413 -12.893 26.748 1.00 0.31 C ATOM 1504 CD2 TYR B 39 0.862 -13.707 26.572 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -1.833 -13.869 25.837 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.445 -14.685 25.664 1.00 0.36 C ATOM 1507 CZ TYR B 39 -0.903 -14.766 25.295 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.314 -15.728 24.396 1.00 0.45 O ATOM 0 H TYR B 39 -1.597 -10.330 28.906 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.350 -12.959 29.749 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.178 -10.767 27.669 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.479 -11.815 28.197 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -2.128 -12.201 27.168 1.00 0.31 H new ATOM 0 HD2 TYR B 39 1.902 -13.641 26.854 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -2.873 -13.931 25.552 1.00 0.37 H new ATOM 0 HE2 TYR B 39 1.162 -15.377 25.248 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.544 -16.266 24.118 1.00 0.45 H new ATOM 1518 N VAL B 40 1.492 -11.774 31.082 1.00 0.21 N ATOM 1519 CA VAL B 40 2.385 -11.016 32.007 1.00 0.21 C ATOM 1520 C VAL B 40 3.855 -11.316 31.697 1.00 0.21 C ATOM 1521 O VAL B 40 4.299 -12.443 31.782 1.00 0.23 O ATOM 1522 CB VAL B 40 2.022 -11.508 33.407 1.00 0.24 C ATOM 1523 CG1 VAL B 40 2.987 -10.900 34.426 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.592 -11.075 33.739 1.00 0.26 C ATOM 0 H VAL B 40 1.720 -12.761 30.962 1.00 0.21 H new ATOM 0 HA VAL B 40 2.255 -9.938 31.908 1.00 0.21 H new ATOM 0 HB VAL B 40 2.093 -12.595 33.443 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.729 -11.250 35.425 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.007 -11.203 34.187 1.00 0.26 H new ATOM 0 HG13 VAL B 40 2.914 -9.813 34.393 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.329 -11.424 34.737 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.524 -9.988 33.705 1.00 0.26 H new ATOM 0 HG23 VAL B 40 -0.096 -11.504 33.011 1.00 0.26 H new ATOM 1534 N ASP B 41 4.623 -10.307 31.381 1.00 0.21 N ATOM 1535 CA ASP B 41 6.073 -10.532 31.114 1.00 0.21 C ATOM 1536 C ASP B 41 6.891 -9.302 31.518 1.00 0.24 C ATOM 1537 O ASP B 41 6.404 -8.192 31.504 1.00 0.26 O ATOM 1538 CB ASP B 41 6.167 -10.766 29.603 1.00 0.19 C ATOM 1539 CG ASP B 41 5.778 -9.488 28.857 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.292 -8.573 29.500 1.00 1.77 O ATOM 1541 OD2 ASP B 41 5.977 -9.445 27.654 1.00 1.68 O ATOM 0 H ASP B 41 4.310 -9.340 31.297 1.00 0.21 H new ATOM 0 HA ASP B 41 6.468 -11.373 31.684 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.181 -11.061 29.334 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.509 -11.584 29.310 1.00 0.19 H new ATOM 1546 N ASP B 42 8.168 -9.476 31.725 1.00 0.27 N ATOM 1547 CA ASP B 42 9.062 -8.299 31.949 1.00 0.32 C ATOM 1548 C ASP B 42 8.409 -7.262 32.873 1.00 0.32 C ATOM 1549 O ASP B 42 8.596 -6.072 32.707 1.00 0.37 O ATOM 1550 CB ASP B 42 9.274 -7.711 30.555 1.00 0.37 C ATOM 1551 CG ASP B 42 10.174 -6.479 30.650 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.706 -6.238 31.720 1.00 1.14 O ATOM 1553 OD2 ASP B 42 10.315 -5.795 29.649 1.00 1.21 O ATOM 0 H ASP B 42 8.634 -10.383 31.749 1.00 0.27 H new ATOM 0 HA ASP B 42 9.995 -8.587 32.434 1.00 0.32 H new ATOM 0 HB2 ASP B 42 9.727 -8.455 29.900 1.00 0.37 H new ATOM 0 HB3 ASP B 42 8.315 -7.440 30.114 1.00 0.37 H new ATOM 1558 N GLU B 43 7.739 -7.696 33.906 1.00 0.29 N ATOM 1559 CA GLU B 43 7.192 -6.724 34.902 1.00 0.30 C ATOM 1560 C GLU B 43 6.238 -5.738 34.222 1.00 0.29 C ATOM 1561 O GLU B 43 5.799 -4.775 34.818 1.00 0.30 O ATOM 1562 CB GLU B 43 8.417 -5.994 35.454 1.00 0.34 C ATOM 1563 CG GLU B 43 8.000 -5.111 36.632 1.00 1.17 C ATOM 1564 CD GLU B 43 9.209 -4.315 37.128 1.00 1.34 C ATOM 1565 OE1 GLU B 43 10.269 -4.459 36.540 1.00 1.68 O ATOM 1566 OE2 GLU B 43 9.055 -3.575 38.085 1.00 1.92 O ATOM 0 H GLU B 43 7.546 -8.678 34.105 1.00 0.29 H new ATOM 0 HA GLU B 43 6.621 -7.219 35.688 1.00 0.30 H new ATOM 0 HB2 GLU B 43 9.169 -6.715 35.775 1.00 0.34 H new ATOM 0 HB3 GLU B 43 8.873 -5.385 34.673 1.00 0.34 H new ATOM 0 HG2 GLU B 43 7.204 -4.431 36.327 1.00 1.17 H new ATOM 0 HG3 GLU B 43 7.601 -5.727 37.438 1.00 1.17 H new ATOM 1573 N LYS B 44 5.825 -6.032 33.021 1.00 0.29 N ATOM 1574 CA LYS B 44 4.797 -5.180 32.360 1.00 0.30 C ATOM 1575 C LYS B 44 3.640 -6.056 31.875 1.00 0.27 C ATOM 1576 O LYS B 44 3.732 -7.268 31.858 1.00 0.26 O ATOM 1577 CB LYS B 44 5.509 -4.516 31.177 1.00 0.34 C ATOM 1578 CG LYS B 44 5.848 -5.567 30.119 1.00 1.29 C ATOM 1579 CD LYS B 44 6.632 -4.911 28.981 1.00 1.23 C ATOM 1580 CE LYS B 44 6.701 -5.868 27.789 1.00 1.90 C ATOM 1581 NZ LYS B 44 8.096 -5.750 27.282 1.00 2.00 N ATOM 0 H LYS B 44 6.154 -6.824 32.469 1.00 0.29 H new ATOM 0 HA LYS B 44 4.379 -4.435 33.037 1.00 0.30 H new ATOM 0 HB2 LYS B 44 4.872 -3.744 30.745 1.00 0.34 H new ATOM 0 HB3 LYS B 44 6.420 -4.024 31.519 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.436 -6.370 30.564 1.00 1.29 H new ATOM 0 HG3 LYS B 44 4.934 -6.017 29.733 1.00 1.29 H new ATOM 0 HD2 LYS B 44 6.151 -3.979 28.685 1.00 1.23 H new ATOM 0 HD3 LYS B 44 7.638 -4.659 29.317 1.00 1.23 H new ATOM 0 HE2 LYS B 44 6.476 -6.891 28.090 1.00 1.90 H new ATOM 0 HE3 LYS B 44 5.977 -5.595 27.021 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 8.263 -6.472 26.553 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 8.238 -4.805 26.872 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 8.764 -5.890 28.067 1.00 2.00 H new ATOM 1595 N ILE B 45 2.528 -5.460 31.554 1.00 0.28 N ATOM 1596 CA ILE B 45 1.341 -6.268 31.160 1.00 0.26 C ATOM 1597 C ILE B 45 1.236 -6.352 29.637 1.00 0.26 C ATOM 1598 O ILE B 45 1.362 -5.362 28.942 1.00 0.29 O ATOM 1599 CB ILE B 45 0.145 -5.515 31.741 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.334 -5.351 33.250 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -1.137 -6.305 31.471 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.709 -4.374 33.792 1.00 1.24 C ATOM 0 H ILE B 45 2.389 -4.450 31.547 1.00 0.28 H new ATOM 0 HA ILE B 45 1.398 -7.293 31.527 1.00 0.26 H new ATOM 0 HB ILE B 45 0.071 -4.533 31.273 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.236 -6.316 33.746 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.338 -4.983 33.464 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.990 -5.767 31.886 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.271 -6.424 30.396 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -1.065 -7.287 31.939 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.574 -4.257 34.867 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.589 -3.407 33.304 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.708 -4.760 33.592 1.00 1.24 H new ATOM 1614 N ILE B 46 0.984 -7.524 29.122 1.00 0.26 N ATOM 1615 CA ILE B 46 0.842 -7.686 27.647 1.00 0.29 C ATOM 1616 C ILE B 46 -0.597 -8.085 27.303 1.00 0.28 C ATOM 1617 O ILE B 46 -1.086 -9.105 27.739 1.00 0.31 O ATOM 1618 CB ILE B 46 1.816 -8.814 27.287 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.235 -8.419 27.703 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.776 -9.079 25.781 1.00 0.37 C ATOM 1621 CD1 ILE B 46 3.531 -6.997 27.232 1.00 0.50 C ATOM 0 H ILE B 46 0.870 -8.381 29.663 1.00 0.26 H new ATOM 0 HA ILE B 46 1.058 -6.769 27.099 1.00 0.29 H new ATOM 0 HB ILE B 46 1.522 -9.721 27.815 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.338 -8.483 28.786 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.957 -9.113 27.273 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.471 -9.882 25.534 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.767 -9.370 25.489 1.00 0.37 H new ATOM 0 HG23 ILE B 46 2.062 -8.174 25.245 1.00 0.37 H new ATOM 0 HD11 ILE B 46 4.542 -6.718 27.529 1.00 0.50 H new ATOM 0 HD12 ILE B 46 3.446 -6.948 26.146 1.00 0.50 H new ATOM 0 HD13 ILE B 46 2.817 -6.308 27.683 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.283 -7.286 26.533 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.692 -7.631 26.179 1.00 0.29 C ATOM 1635 C LEU B 47 -2.815 -7.870 24.674 1.00 0.31 C ATOM 1636 O LEU B 47 -2.305 -7.113 23.873 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.520 -6.416 26.591 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.316 -6.140 28.081 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -1.993 -5.403 28.288 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.466 -5.273 28.598 1.00 1.23 C ATOM 0 H LEU B 47 -0.933 -6.414 26.135 1.00 0.28 H new ATOM 0 HA LEU B 47 -3.027 -8.540 26.678 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.224 -5.546 26.005 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.575 -6.595 26.385 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.295 -7.084 28.626 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.848 -5.207 29.350 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.172 -6.017 27.917 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -2.014 -4.459 27.744 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.323 -5.075 29.660 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.484 -4.330 28.052 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.411 -5.796 28.451 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.494 -8.914 24.284 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.653 -9.198 22.829 1.00 0.34 C ATOM 1654 C LYS B 48 -5.065 -9.710 22.539 1.00 0.27 C ATOM 1655 O LYS B 48 -5.736 -10.232 23.407 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.614 -10.277 22.523 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.868 -11.502 23.405 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.821 -12.575 23.098 1.00 0.85 C ATOM 1659 CE LYS B 48 -0.468 -12.148 23.668 1.00 1.54 C ATOM 1660 NZ LYS B 48 0.287 -11.608 22.504 1.00 1.74 N ATOM 0 H LYS B 48 -3.945 -9.582 24.909 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.510 -8.308 22.216 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.666 -10.557 21.471 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.611 -9.890 22.701 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -2.820 -11.222 24.457 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.869 -11.893 23.224 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -2.125 -13.528 23.530 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.743 -12.724 22.021 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -0.588 -11.393 24.445 1.00 1.54 H new ATOM 0 HE3 LYS B 48 0.054 -12.991 24.120 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 1.019 -12.290 22.218 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -0.366 -11.448 21.710 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 0.736 -10.708 22.769 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.502 -9.614 21.314 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.849 -10.150 20.965 1.00 0.25 C ATOM 1676 C LYS B 49 -6.921 -11.638 21.305 1.00 0.22 C ATOM 1677 O LYS B 49 -5.931 -12.341 21.270 1.00 0.24 O ATOM 1678 CB LYS B 49 -6.986 -9.939 19.458 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.380 -10.382 19.007 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.492 -10.242 17.488 1.00 0.54 C ATOM 1681 CE LYS B 49 -9.928 -10.544 17.050 1.00 1.08 C ATOM 1682 NZ LYS B 49 -9.806 -11.041 15.651 1.00 1.65 N ATOM 0 H LYS B 49 -4.988 -9.190 20.542 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.647 -9.654 21.517 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.828 -8.889 19.211 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.222 -10.509 18.929 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.558 -11.416 19.302 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.142 -9.775 19.496 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.213 -9.233 17.184 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -7.800 -10.926 16.997 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -10.389 -11.291 17.696 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.552 -9.652 17.099 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -10.750 -11.270 15.280 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.370 -10.306 15.058 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -9.212 -11.895 15.636 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.070 -12.107 21.701 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.183 -13.532 22.119 1.00 0.22 C ATOM 1698 C TYR B 50 -8.860 -14.359 21.021 1.00 0.25 C ATOM 1699 O TYR B 50 -10.020 -14.170 20.717 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.048 -13.501 23.379 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.206 -14.900 23.921 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.187 -15.843 23.742 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.376 -15.255 24.604 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.337 -17.140 24.247 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.526 -16.552 25.108 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.507 -17.494 24.930 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.654 -18.773 25.427 1.00 0.65 O ATOM 0 H TYR B 50 -8.934 -11.567 21.754 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.210 -13.989 22.300 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.589 -12.859 24.131 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -10.026 -13.076 23.150 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.285 -15.570 23.214 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.163 -14.528 24.742 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.551 -17.867 24.110 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.428 -16.826 25.634 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.522 -18.852 25.874 1.00 0.65 H new