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= 1.04 USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00836) USER MOD Single : A 39 TYR OH : rot 180:sc= -3.97! USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= 0.502 (180deg=0.258) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= -0.0558 (180deg=-0.726) 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= 1.01 USER MOD Single : B 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0123) USER MOD Single : B 39 TYR OH : rot 180:sc= -4.11! USER MOD Single : B 44 LYS NZ :NH3+ -156:sc= 0.514 (180deg=0.267) USER MOD Single : B 48 LYS NZ :NH3+ 149:sc= -0.0259 (180deg=-0.859) 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 -5.047 -15.340 31.217 1.00 0.37 N ATOM 93 CA ILE A 8 -6.381 -14.978 31.786 1.00 0.37 C ATOM 94 C ILE A 8 -7.106 -14.009 30.850 1.00 0.32 C ATOM 95 O ILE A 8 -6.520 -13.093 30.326 1.00 0.30 O ATOM 96 CB ILE A 8 -6.078 -14.299 33.119 1.00 0.40 C ATOM 97 CG1 ILE A 8 -5.206 -15.220 33.974 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.388 -14.010 33.854 1.00 0.43 C ATOM 99 CD1 ILE A 8 -4.806 -14.495 35.261 1.00 1.36 C ATOM 0 HA ILE A 8 -7.024 -15.849 31.910 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.549 -13.363 32.938 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.749 -16.134 34.213 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -4.316 -15.514 33.418 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -7.172 -13.525 34.806 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -8.010 -13.353 33.245 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.917 -14.945 34.035 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -4.185 -15.151 35.870 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -4.246 -13.594 35.012 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.702 -14.223 35.819 1.00 1.36 H new ATOM 111 N VAL A 9 -8.358 -14.245 30.584 1.00 0.32 N ATOM 112 CA VAL A 9 -9.086 -13.372 29.613 1.00 0.29 C ATOM 113 C VAL A 9 -10.244 -12.643 30.299 1.00 0.32 C ATOM 114 O VAL A 9 -10.915 -13.182 31.158 1.00 0.37 O ATOM 115 CB VAL A 9 -9.606 -14.320 28.533 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.436 -13.530 27.518 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.420 -14.976 27.816 1.00 0.30 C ATOM 0 H VAL A 9 -8.910 -14.999 30.992 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.439 -12.599 29.198 1.00 0.29 H new ATOM 0 HB VAL A 9 -10.226 -15.089 28.993 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.807 -14.205 26.747 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.279 -13.059 28.025 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.814 -12.762 27.058 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.790 -15.652 27.045 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.801 -14.205 27.356 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.825 -15.537 28.536 1.00 0.30 H new ATOM 127 N ARG A 10 -10.501 -11.427 29.897 1.00 0.31 N ATOM 128 CA ARG A 10 -11.634 -10.659 30.488 1.00 0.36 C ATOM 129 C ARG A 10 -12.505 -10.076 29.370 1.00 0.31 C ATOM 130 O ARG A 10 -12.070 -9.936 28.246 1.00 0.27 O ATOM 131 CB ARG A 10 -10.979 -9.541 31.299 1.00 0.40 C ATOM 132 CG ARG A 10 -12.056 -8.749 32.043 1.00 0.73 C ATOM 133 CD ARG A 10 -12.612 -9.596 33.190 1.00 0.86 C ATOM 134 NE ARG A 10 -13.689 -8.763 33.795 1.00 1.13 N ATOM 135 CZ ARG A 10 -14.266 -9.141 34.904 1.00 1.36 C ATOM 136 NH1 ARG A 10 -13.905 -10.252 35.488 1.00 1.61 N ATOM 137 NH2 ARG A 10 -15.209 -8.407 35.429 1.00 1.91 N ATOM 0 H ARG A 10 -9.971 -10.930 29.181 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.280 -11.281 31.108 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.267 -9.962 32.009 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.418 -8.880 30.639 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -11.637 -7.821 32.432 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.858 -8.474 31.358 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -13.004 -10.545 32.826 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -11.837 -9.830 33.920 1.00 0.86 H new ATOM 0 HE ARG A 10 -13.976 -7.895 33.342 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -13.170 -10.828 35.078 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -14.358 -10.544 36.354 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -15.494 -7.540 34.973 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -15.661 -8.700 36.295 1.00 1.91 H new ATOM 151 N LYS A 11 -13.732 -9.746 29.664 1.00 0.32 N ATOM 152 CA LYS A 11 -14.624 -9.182 28.609 1.00 0.29 C ATOM 153 C LYS A 11 -14.373 -7.680 28.447 1.00 0.26 C ATOM 154 O LYS A 11 -14.096 -6.980 29.399 1.00 0.27 O ATOM 155 CB LYS A 11 -16.046 -9.439 29.107 1.00 0.33 C ATOM 156 CG LYS A 11 -17.046 -9.093 28.003 1.00 1.02 C ATOM 157 CD LYS A 11 -18.463 -9.431 28.473 1.00 1.03 C ATOM 158 CE LYS A 11 -18.869 -8.477 29.598 1.00 1.81 C ATOM 159 NZ LYS A 11 -20.128 -9.049 30.151 1.00 2.21 N ATOM 0 H LYS A 11 -14.156 -9.842 30.587 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.447 -9.639 27.635 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.157 -10.484 29.398 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.246 -8.838 29.994 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -16.977 -8.034 27.754 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -16.810 -9.650 27.096 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -19.163 -9.348 27.641 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -18.505 -10.462 28.823 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -18.094 -8.415 30.362 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -19.026 -7.466 29.221 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -20.470 -8.449 30.929 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -20.849 -9.089 29.403 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -19.946 -10.009 30.508 1.00 2.21 H new ATOM 173 N VAL A 12 -14.485 -7.181 27.246 1.00 0.22 N ATOM 174 CA VAL A 12 -14.268 -5.720 27.020 1.00 0.21 C ATOM 175 C VAL A 12 -15.539 -4.947 27.372 1.00 0.20 C ATOM 176 O VAL A 12 -16.613 -5.265 26.907 1.00 0.20 O ATOM 177 CB VAL A 12 -13.972 -5.580 25.525 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.343 -4.212 25.254 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.011 -6.683 25.078 1.00 0.28 C ATOM 0 H VAL A 12 -14.717 -7.720 26.411 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.459 -5.327 27.635 1.00 0.21 H new ATOM 0 HB VAL A 12 -14.904 -5.670 24.966 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.132 -4.113 24.189 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.033 -3.427 25.562 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.414 -4.120 25.818 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.805 -6.577 24.013 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.079 -6.602 25.637 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.463 -7.657 25.265 1.00 0.28 H new ATOM 189 N ASP A 13 -15.431 -3.932 28.185 1.00 0.20 N ATOM 190 CA ASP A 13 -16.645 -3.152 28.551 1.00 0.21 C ATOM 191 C ASP A 13 -16.912 -2.070 27.495 1.00 0.22 C ATOM 192 O ASP A 13 -16.275 -2.031 26.461 1.00 0.22 O ATOM 193 CB ASP A 13 -16.334 -2.548 29.928 1.00 0.21 C ATOM 194 CG ASP A 13 -15.675 -1.177 29.779 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.475 -1.131 29.573 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.383 -0.190 29.875 1.00 0.55 O ATOM 0 H ASP A 13 -14.560 -3.611 28.609 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.546 -3.765 28.590 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.253 -2.454 30.506 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.675 -3.216 30.483 1.00 0.21 H new ATOM 201 N GLU A 14 -17.914 -1.262 27.698 1.00 0.23 N ATOM 202 CA GLU A 14 -18.304 -0.275 26.646 1.00 0.26 C ATOM 203 C GLU A 14 -17.126 0.625 26.254 1.00 0.26 C ATOM 204 O GLU A 14 -16.987 1.009 25.110 1.00 0.29 O ATOM 205 CB GLU A 14 -19.421 0.553 27.279 1.00 0.28 C ATOM 206 CG GLU A 14 -19.997 1.515 26.238 1.00 1.22 C ATOM 207 CD GLU A 14 -21.044 2.415 26.897 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.250 2.274 28.092 1.00 2.19 O ATOM 209 OE2 GLU A 14 -21.622 3.230 26.197 1.00 1.99 O ATOM 0 H GLU A 14 -18.481 -1.240 28.545 1.00 0.23 H new ATOM 0 HA GLU A 14 -18.621 -0.773 25.729 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -20.205 -0.103 27.656 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -19.035 1.112 28.132 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -19.200 2.121 25.808 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.448 0.954 25.419 1.00 1.22 H new ATOM 216 N LEU A 15 -16.342 1.053 27.203 1.00 0.23 N ATOM 217 CA LEU A 15 -15.258 2.030 26.886 1.00 0.24 C ATOM 218 C LEU A 15 -14.076 1.322 26.206 1.00 0.22 C ATOM 219 O LEU A 15 -13.185 1.953 25.675 1.00 0.24 O ATOM 220 CB LEU A 15 -14.839 2.600 28.245 1.00 0.28 C ATOM 221 CG LEU A 15 -14.344 4.044 28.085 1.00 0.38 C ATOM 222 CD1 LEU A 15 -13.470 4.174 26.837 1.00 1.28 C ATOM 223 CD2 LEU A 15 -15.550 4.978 27.957 1.00 1.38 C ATOM 0 H LEU A 15 -16.402 0.771 28.181 1.00 0.23 H new ATOM 0 HA LEU A 15 -15.590 2.808 26.198 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -15.682 2.571 28.935 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.051 1.984 28.679 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.752 4.314 28.959 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.127 5.204 26.738 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -12.609 3.512 26.925 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -14.050 3.899 25.956 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -15.204 6.005 27.843 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -16.139 4.695 27.085 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -16.167 4.900 28.852 1.00 1.38 H new ATOM 235 N GLY A 16 -14.031 0.019 26.246 1.00 0.21 N ATOM 236 CA GLY A 16 -12.870 -0.691 25.639 1.00 0.19 C ATOM 237 C GLY A 16 -11.718 -0.734 26.645 1.00 0.20 C ATOM 238 O GLY A 16 -10.592 -0.383 26.338 1.00 0.20 O ATOM 0 H GLY A 16 -14.740 -0.580 26.668 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.157 -1.703 25.355 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.554 -0.182 24.729 1.00 0.19 H new ATOM 242 N ARG A 17 -12.002 -1.089 27.869 1.00 0.24 N ATOM 243 CA ARG A 17 -10.941 -1.081 28.911 1.00 0.26 C ATOM 244 C ARG A 17 -10.664 -2.509 29.391 1.00 0.26 C ATOM 245 O ARG A 17 -11.508 -3.378 29.307 1.00 0.26 O ATOM 246 CB ARG A 17 -11.516 -0.229 30.044 1.00 0.28 C ATOM 247 CG ARG A 17 -11.645 1.221 29.572 1.00 0.28 C ATOM 248 CD ARG A 17 -12.178 2.090 30.712 1.00 0.29 C ATOM 249 NE ARG A 17 -13.605 1.695 30.863 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.429 2.469 31.523 1.00 0.79 C ATOM 251 NH1 ARG A 17 -13.992 3.565 32.084 1.00 0.73 N ATOM 252 NH2 ARG A 17 -15.690 2.149 31.623 1.00 1.15 N ATOM 0 H ARG A 17 -12.924 -1.384 28.190 1.00 0.24 H new ATOM 0 HA ARG A 17 -9.995 -0.684 28.543 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.491 -0.614 30.345 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -10.868 -0.282 30.919 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -10.675 1.593 29.241 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.317 1.276 28.715 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -11.621 1.918 31.633 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.085 3.150 30.477 1.00 0.29 H new ATOM 0 HE ARG A 17 -13.940 0.823 30.453 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.007 3.819 32.008 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -14.636 4.167 32.598 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.035 1.294 31.186 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.330 2.754 32.138 1.00 1.15 H new ATOM 266 N VAL A 18 -9.487 -2.754 29.895 1.00 0.26 N ATOM 267 CA VAL A 18 -9.152 -4.123 30.382 1.00 0.25 C ATOM 268 C VAL A 18 -8.732 -4.061 31.850 1.00 0.24 C ATOM 269 O VAL A 18 -8.317 -3.029 32.339 1.00 0.24 O ATOM 270 CB VAL A 18 -7.984 -4.580 29.509 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.360 -4.432 28.034 1.00 0.28 C ATOM 272 CG2 VAL A 18 -6.757 -3.717 29.810 1.00 0.26 C ATOM 0 H VAL A 18 -8.741 -2.065 29.991 1.00 0.26 H new ATOM 0 HA VAL A 18 -9.998 -4.808 30.317 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.757 -5.625 29.723 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.527 -4.758 27.412 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.235 -5.045 27.818 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.586 -3.388 27.819 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -5.923 -4.041 29.188 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -6.985 -2.673 29.595 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.488 -3.821 30.861 1.00 0.26 H new ATOM 282 N VAL A 19 -8.930 -5.122 32.583 1.00 0.22 N ATOM 283 CA VAL A 19 -8.648 -5.070 34.046 1.00 0.21 C ATOM 284 C VAL A 19 -7.462 -5.968 34.399 1.00 0.22 C ATOM 285 O VAL A 19 -7.424 -7.129 34.045 1.00 0.23 O ATOM 286 CB VAL A 19 -9.923 -5.588 34.707 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.857 -5.338 36.215 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.134 -4.860 34.120 1.00 0.24 C ATOM 0 H VAL A 19 -9.273 -6.018 32.235 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.388 -4.065 34.378 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.018 -6.658 34.522 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.768 -5.708 36.685 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -8.995 -5.859 36.633 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.761 -4.269 36.403 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.045 -5.230 34.592 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.039 -3.790 34.303 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.182 -5.041 33.046 1.00 0.24 H new ATOM 298 N ILE A 20 -6.551 -5.471 35.190 1.00 0.22 N ATOM 299 CA ILE A 20 -5.438 -6.335 35.674 1.00 0.24 C ATOM 300 C ILE A 20 -5.901 -7.116 36.910 1.00 0.24 C ATOM 301 O ILE A 20 -6.500 -6.555 37.798 1.00 0.23 O ATOM 302 CB ILE A 20 -4.314 -5.352 36.027 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.487 -5.059 34.773 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.406 -5.948 37.107 1.00 0.24 C ATOM 305 CD1 ILE A 20 -2.898 -6.364 34.235 1.00 1.38 C ATOM 0 H ILE A 20 -6.529 -4.507 35.521 1.00 0.22 H new ATOM 0 HA ILE A 20 -5.111 -7.070 34.939 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.755 -4.430 36.406 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -4.112 -4.589 34.014 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -2.688 -4.356 35.007 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.613 -5.240 37.347 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -3.992 -6.154 38.002 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -2.965 -6.875 36.741 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -2.309 -6.156 33.342 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -2.259 -6.815 34.994 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -3.706 -7.052 33.985 1.00 1.38 H new ATOM 317 N PRO A 21 -5.554 -8.373 36.952 1.00 0.28 N ATOM 318 CA PRO A 21 -5.888 -9.208 38.133 1.00 0.30 C ATOM 319 C PRO A 21 -5.267 -8.597 39.392 1.00 0.28 C ATOM 320 O PRO A 21 -4.175 -8.072 39.362 1.00 0.27 O ATOM 321 CB PRO A 21 -5.267 -10.572 37.820 1.00 0.35 C ATOM 322 CG PRO A 21 -4.352 -10.351 36.653 1.00 0.35 C ATOM 323 CD PRO A 21 -4.833 -9.124 35.927 1.00 0.32 C ATOM 0 HA PRO A 21 -6.960 -9.281 38.317 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.718 -10.957 38.679 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -6.037 -11.305 37.579 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.324 -10.218 36.991 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.360 -11.216 35.990 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -4.002 -8.548 35.520 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.482 -9.383 35.090 1.00 0.32 H new ATOM 331 N ILE A 22 -5.968 -8.622 40.493 1.00 0.30 N ATOM 332 CA ILE A 22 -5.422 -7.991 41.731 1.00 0.30 C ATOM 333 C ILE A 22 -4.053 -8.580 42.067 1.00 0.32 C ATOM 334 O ILE A 22 -3.186 -7.898 42.577 1.00 0.32 O ATOM 335 CB ILE A 22 -6.441 -8.317 42.825 1.00 0.35 C ATOM 336 CG1 ILE A 22 -6.191 -7.417 44.037 1.00 0.41 C ATOM 337 CG2 ILE A 22 -6.299 -9.782 43.240 1.00 0.42 C ATOM 338 CD1 ILE A 22 -4.820 -7.735 44.638 1.00 1.11 C ATOM 0 H ILE A 22 -6.889 -9.049 40.590 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.279 -6.916 41.620 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.448 -8.146 42.444 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.235 -6.369 43.740 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -6.971 -7.570 44.783 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -7.026 -10.012 44.019 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.477 -10.424 42.377 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -5.292 -9.957 43.620 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -4.643 -7.093 45.501 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -4.793 -8.779 44.950 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -4.046 -7.560 43.891 1.00 1.11 H new ATOM 350 N GLU A 23 -3.836 -9.824 41.759 1.00 0.36 N ATOM 351 CA GLU A 23 -2.502 -10.425 42.036 1.00 0.40 C ATOM 352 C GLU A 23 -1.416 -9.638 41.297 1.00 0.37 C ATOM 353 O GLU A 23 -0.332 -9.419 41.801 1.00 0.39 O ATOM 354 CB GLU A 23 -2.591 -11.850 41.489 1.00 0.44 C ATOM 355 CG GLU A 23 -3.632 -12.638 42.286 1.00 1.22 C ATOM 356 CD GLU A 23 -3.210 -12.702 43.755 1.00 1.62 C ATOM 357 OE1 GLU A 23 -2.048 -12.444 44.029 1.00 2.37 O ATOM 358 OE2 GLU A 23 -4.054 -13.005 44.581 1.00 2.01 O ATOM 0 H GLU A 23 -4.518 -10.449 41.330 1.00 0.36 H new ATOM 0 HA GLU A 23 -2.249 -10.410 43.096 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -2.864 -11.830 40.434 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -1.619 -12.339 41.557 1.00 0.44 H new ATOM 0 HG2 GLU A 23 -4.609 -12.163 42.198 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -3.730 -13.645 41.881 1.00 1.22 H new ATOM 365 N LEU A 24 -1.728 -9.154 40.127 1.00 0.34 N ATOM 366 CA LEU A 24 -0.752 -8.324 39.369 1.00 0.33 C ATOM 367 C LEU A 24 -0.792 -6.876 39.852 1.00 0.29 C ATOM 368 O LEU A 24 0.208 -6.192 39.852 1.00 0.29 O ATOM 369 CB LEU A 24 -1.194 -8.420 37.907 1.00 0.33 C ATOM 370 CG LEU A 24 -1.042 -9.862 37.422 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.297 -9.925 35.914 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.378 -10.351 37.717 1.00 1.75 C ATOM 0 H LEU A 24 -2.624 -9.299 39.661 1.00 0.34 H new ATOM 0 HA LEU A 24 0.272 -8.670 39.506 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.231 -8.099 37.808 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.593 -7.752 37.290 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.762 -10.496 37.939 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.188 -10.953 35.569 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.307 -9.576 35.701 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.577 -9.291 35.396 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.488 -11.379 37.372 1.00 1.75 H new ATOM 0 HD22 LEU A 24 1.097 -9.716 37.199 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.562 -10.307 38.790 1.00 1.75 H new ATOM 384 N ARG A 25 -1.908 -6.428 40.359 1.00 0.25 N ATOM 385 CA ARG A 25 -1.941 -5.055 40.940 1.00 0.23 C ATOM 386 C ARG A 25 -0.879 -4.956 42.031 1.00 0.25 C ATOM 387 O ARG A 25 -0.168 -3.976 42.136 1.00 0.25 O ATOM 388 CB ARG A 25 -3.333 -4.883 41.558 1.00 0.22 C ATOM 389 CG ARG A 25 -4.425 -5.058 40.500 1.00 0.21 C ATOM 390 CD ARG A 25 -5.777 -4.673 41.116 1.00 0.22 C ATOM 391 NE ARG A 25 -6.804 -5.317 40.257 1.00 0.23 N ATOM 392 CZ ARG A 25 -8.012 -5.511 40.714 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.326 -5.136 41.925 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.908 -6.084 39.958 1.00 0.27 N ATOM 0 H ARG A 25 -2.787 -6.944 40.397 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.745 -4.289 40.190 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.474 -5.612 42.356 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.415 -3.895 42.011 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.214 -4.433 39.633 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.450 -6.090 40.150 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.852 -5.022 42.146 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.905 -3.591 41.136 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.565 -5.608 39.309 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.627 -4.690 42.518 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.271 -5.290 42.278 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.664 -6.379 39.013 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.852 -6.237 40.312 1.00 0.27 H new ATOM 408 N ARG A 26 -0.797 -5.953 42.867 1.00 0.29 N ATOM 409 CA ARG A 26 0.189 -5.907 43.987 1.00 0.33 C ATOM 410 C ARG A 26 1.616 -6.103 43.460 1.00 0.35 C ATOM 411 O ARG A 26 2.525 -5.381 43.818 1.00 0.35 O ATOM 412 CB ARG A 26 -0.202 -7.066 44.901 1.00 0.37 C ATOM 413 CG ARG A 26 -1.611 -6.832 45.450 1.00 1.07 C ATOM 414 CD ARG A 26 -1.603 -5.613 46.376 1.00 1.25 C ATOM 415 NE ARG A 26 -2.979 -5.552 46.942 1.00 1.85 N ATOM 416 CZ ARG A 26 -3.211 -4.864 48.028 1.00 2.32 C ATOM 417 NH1 ARG A 26 -2.240 -4.227 48.623 1.00 2.40 N ATOM 418 NH2 ARG A 26 -4.419 -4.814 48.519 1.00 3.26 N ATOM 0 H ARG A 26 -1.368 -6.797 42.825 1.00 0.29 H new ATOM 0 HA ARG A 26 0.175 -4.948 44.505 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -0.167 -8.006 44.349 1.00 0.37 H new ATOM 0 HB3 ARG A 26 0.510 -7.151 45.722 1.00 0.37 H new ATOM 0 HG2 ARG A 26 -2.311 -6.674 44.629 1.00 1.07 H new ATOM 0 HG3 ARG A 26 -1.952 -7.713 45.994 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -0.857 -5.720 47.163 1.00 1.25 H new ATOM 0 HD3 ARG A 26 -1.361 -4.702 45.828 1.00 1.25 H new ATOM 0 HE ARG A 26 -3.742 -6.048 46.481 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -1.295 -4.265 48.240 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -2.426 -3.691 49.471 1.00 2.40 H new ATOM 0 HH21 ARG A 26 -5.179 -5.311 48.055 1.00 3.26 H new ATOM 0 HH22 ARG A 26 -4.603 -4.278 49.367 1.00 3.26 H new ATOM 432 N THR A 27 1.823 -7.090 42.633 1.00 0.37 N ATOM 433 CA THR A 27 3.196 -7.361 42.115 1.00 0.41 C ATOM 434 C THR A 27 3.707 -6.190 41.271 1.00 0.39 C ATOM 435 O THR A 27 4.895 -5.945 41.194 1.00 0.42 O ATOM 436 CB THR A 27 3.054 -8.617 41.254 1.00 0.44 C ATOM 437 OG1 THR A 27 2.464 -9.654 42.026 1.00 0.61 O ATOM 438 CG2 THR A 27 4.432 -9.063 40.765 1.00 0.77 C ATOM 0 H THR A 27 1.099 -7.723 42.292 1.00 0.37 H new ATOM 0 HA THR A 27 3.913 -7.493 42.925 1.00 0.41 H new ATOM 0 HB THR A 27 2.421 -8.398 40.394 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.491 -9.632 41.914 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.328 -9.958 40.152 1.00 0.77 H new ATOM 0 HG22 THR A 27 4.883 -8.267 40.172 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.069 -9.282 41.622 1.00 0.77 H new ATOM 446 N LEU A 28 2.832 -5.494 40.602 1.00 0.35 N ATOM 447 CA LEU A 28 3.288 -4.382 39.720 1.00 0.34 C ATOM 448 C LEU A 28 3.405 -3.075 40.513 1.00 0.32 C ATOM 449 O LEU A 28 3.861 -2.073 40.001 1.00 0.33 O ATOM 450 CB LEU A 28 2.211 -4.268 38.639 1.00 0.32 C ATOM 451 CG LEU A 28 2.691 -3.319 37.539 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.786 -4.003 36.717 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.516 -2.963 36.626 1.00 1.05 C ATOM 0 H LEU A 28 1.824 -5.645 40.627 1.00 0.35 H new ATOM 0 HA LEU A 28 4.273 -4.573 39.295 1.00 0.34 H new ATOM 0 HB2 LEU A 28 1.997 -5.251 38.219 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.282 -3.898 39.073 1.00 0.32 H new ATOM 0 HG LEU A 28 3.090 -2.411 37.991 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.128 -3.327 35.933 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.623 -4.258 37.367 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.388 -4.911 36.265 1.00 0.70 H new ATOM 0 HD21 LEU A 28 1.856 -2.287 35.842 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.118 -3.872 36.174 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.735 -2.477 37.211 1.00 1.05 H new ATOM 465 N GLY A 29 3.020 -3.081 41.759 1.00 0.32 N ATOM 466 CA GLY A 29 3.136 -1.840 42.576 1.00 0.32 C ATOM 467 C GLY A 29 2.191 -0.772 42.026 1.00 0.29 C ATOM 468 O GLY A 29 2.540 0.387 41.927 1.00 0.29 O ATOM 0 H GLY A 29 2.631 -3.889 42.246 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.892 -2.054 43.617 1.00 0.32 H new ATOM 0 HA3 GLY A 29 4.163 -1.475 42.557 1.00 0.32 H new ATOM 472 N ILE A 30 1.003 -1.155 41.658 1.00 0.27 N ATOM 473 CA ILE A 30 0.040 -0.160 41.099 1.00 0.24 C ATOM 474 C ILE A 30 -1.183 -0.025 42.005 1.00 0.23 C ATOM 475 O ILE A 30 -1.682 -0.990 42.550 1.00 0.26 O ATOM 476 CB ILE A 30 -0.362 -0.709 39.732 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.885 -0.869 38.862 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.333 0.262 39.058 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.678 0.441 38.862 1.00 0.29 C ATOM 0 H ILE A 30 0.654 -2.112 41.718 1.00 0.27 H new ATOM 0 HA ILE A 30 0.483 0.833 41.023 1.00 0.24 H new ATOM 0 HB ILE A 30 -0.846 -1.678 39.857 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.504 -1.682 39.241 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.600 -1.134 37.844 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.620 -0.129 38.082 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.222 0.377 39.679 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -0.850 1.231 38.932 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.567 0.328 38.242 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.057 1.242 38.463 1.00 0.29 H new ATOM 0 HD13 ILE A 30 1.975 0.686 39.882 1.00 0.29 H new ATOM 491 N ALA A 31 -1.640 1.176 42.197 1.00 0.22 N ATOM 492 CA ALA A 31 -2.801 1.412 43.102 1.00 0.23 C ATOM 493 C ALA A 31 -3.707 2.499 42.518 1.00 0.20 C ATOM 494 O ALA A 31 -3.336 3.207 41.604 1.00 0.18 O ATOM 495 CB ALA A 31 -2.187 1.888 44.416 1.00 0.23 C ATOM 0 H ALA A 31 -1.257 2.016 41.762 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.411 0.518 43.234 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -2.980 2.084 45.138 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.522 1.118 44.807 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.620 2.803 44.242 1.00 0.23 H new ATOM 501 N GLU A 32 -4.897 2.632 43.032 1.00 0.22 N ATOM 502 CA GLU A 32 -5.826 3.666 42.495 1.00 0.21 C ATOM 503 C GLU A 32 -5.156 5.046 42.500 1.00 0.19 C ATOM 504 O GLU A 32 -4.395 5.373 43.387 1.00 0.20 O ATOM 505 CB GLU A 32 -7.022 3.652 43.449 1.00 0.25 C ATOM 506 CG GLU A 32 -8.114 4.580 42.912 1.00 0.27 C ATOM 507 CD GLU A 32 -9.268 4.644 43.913 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.162 4.011 44.950 1.00 1.12 O ATOM 509 OE2 GLU A 32 -10.238 5.326 43.626 1.00 1.13 O ATOM 0 H GLU A 32 -5.267 2.071 43.799 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.117 3.461 41.465 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.409 2.638 43.549 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.712 3.975 44.443 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.708 5.578 42.745 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.474 4.217 41.949 1.00 0.27 H new ATOM 516 N LYS A 33 -5.479 5.866 41.533 1.00 0.19 N ATOM 517 CA LYS A 33 -4.928 7.259 41.475 1.00 0.20 C ATOM 518 C LYS A 33 -3.464 7.254 41.021 1.00 0.18 C ATOM 519 O LYS A 33 -2.896 8.291 40.739 1.00 0.21 O ATOM 520 CB LYS A 33 -5.046 7.812 42.900 1.00 0.23 C ATOM 521 CG LYS A 33 -4.936 9.338 42.862 1.00 0.29 C ATOM 522 CD LYS A 33 -4.989 9.889 44.288 1.00 0.87 C ATOM 523 CE LYS A 33 -5.044 11.418 44.242 1.00 1.35 C ATOM 524 NZ LYS A 33 -3.627 11.847 44.083 1.00 1.88 N ATOM 0 H LYS A 33 -6.111 5.628 40.768 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.474 7.870 40.756 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -5.998 7.516 43.340 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.261 7.395 43.530 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -4.004 9.634 42.381 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.748 9.757 42.268 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.864 9.498 44.808 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -4.113 9.563 44.848 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -5.658 11.767 43.412 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -5.480 11.825 45.154 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -3.575 12.886 44.094 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -3.058 11.463 44.865 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -3.256 11.492 43.179 1.00 1.88 H new ATOM 538 N ASP A 34 -2.876 6.101 40.843 1.00 0.16 N ATOM 539 CA ASP A 34 -1.492 6.056 40.287 1.00 0.16 C ATOM 540 C ASP A 34 -1.526 6.291 38.776 1.00 0.19 C ATOM 541 O ASP A 34 -2.577 6.305 38.168 1.00 0.20 O ATOM 542 CB ASP A 34 -0.974 4.657 40.606 1.00 0.17 C ATOM 543 CG ASP A 34 -0.657 4.566 42.098 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.714 5.589 42.762 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.360 3.476 42.551 1.00 1.08 O ATOM 0 H ASP A 34 -3.291 5.194 41.057 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.851 6.827 40.714 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.719 3.910 40.334 1.00 0.17 H new ATOM 0 HB3 ASP A 34 -0.081 4.444 40.019 1.00 0.17 H new ATOM 550 N ALA A 35 -0.394 6.537 38.175 1.00 0.22 N ATOM 551 CA ALA A 35 -0.381 6.846 36.716 1.00 0.28 C ATOM 552 C ALA A 35 0.146 5.652 35.913 1.00 0.20 C ATOM 553 O ALA A 35 1.219 5.142 36.168 1.00 0.16 O ATOM 554 CB ALA A 35 0.561 8.043 36.577 1.00 0.36 C ATOM 0 H ALA A 35 0.520 6.538 38.629 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.379 7.060 36.335 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.626 8.335 35.529 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.177 8.878 37.163 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.552 7.770 36.940 1.00 0.36 H new ATOM 560 N LEU A 36 -0.561 5.268 34.885 1.00 0.24 N ATOM 561 CA LEU A 36 -0.062 4.183 33.988 1.00 0.21 C ATOM 562 C LEU A 36 0.379 4.789 32.655 1.00 0.20 C ATOM 563 O LEU A 36 -0.299 5.632 32.106 1.00 0.23 O ATOM 564 CB LEU A 36 -1.265 3.269 33.763 1.00 0.34 C ATOM 565 CG LEU A 36 -1.923 2.929 35.099 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.335 2.406 34.839 1.00 0.55 C ATOM 567 CD2 LEU A 36 -1.104 1.851 35.813 1.00 0.56 C ATOM 0 H LEU A 36 -1.466 5.660 34.626 1.00 0.24 H new ATOM 0 HA LEU A 36 0.787 3.649 34.414 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.986 3.758 33.108 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.948 2.354 33.262 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.968 3.820 35.725 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.813 2.161 35.788 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.918 3.171 34.327 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.283 1.512 34.217 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.574 1.609 36.766 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -1.061 0.956 35.192 1.00 0.56 H new ATOM 0 HD23 LEU A 36 -0.093 2.219 35.990 1.00 0.56 H new ATOM 579 N GLU A 37 1.417 4.273 32.057 1.00 0.19 N ATOM 580 CA GLU A 37 1.771 4.737 30.688 1.00 0.21 C ATOM 581 C GLU A 37 1.463 3.635 29.675 1.00 0.19 C ATOM 582 O GLU A 37 1.584 2.461 29.966 1.00 0.20 O ATOM 583 CB GLU A 37 3.269 5.042 30.733 1.00 0.25 C ATOM 584 CG GLU A 37 3.705 5.657 29.401 1.00 0.26 C ATOM 585 CD GLU A 37 5.217 5.887 29.416 1.00 0.37 C ATOM 586 OE1 GLU A 37 5.838 5.549 30.411 1.00 1.17 O ATOM 587 OE2 GLU A 37 5.728 6.398 28.433 1.00 1.08 O ATOM 0 H GLU A 37 2.029 3.559 32.452 1.00 0.19 H new ATOM 0 HA GLU A 37 1.201 5.616 30.386 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.487 5.728 31.551 1.00 0.25 H new ATOM 0 HB3 GLU A 37 3.831 4.128 30.925 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.435 4.996 28.577 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.185 6.600 29.236 1.00 0.26 H new ATOM 594 N ILE A 38 0.929 4.003 28.546 1.00 0.21 N ATOM 595 CA ILE A 38 0.449 2.982 27.576 1.00 0.20 C ATOM 596 C ILE A 38 1.351 2.948 26.343 1.00 0.20 C ATOM 597 O ILE A 38 1.710 3.972 25.790 1.00 0.24 O ATOM 598 CB ILE A 38 -0.962 3.432 27.196 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.815 3.555 28.461 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.591 2.404 26.256 1.00 0.73 C ATOM 601 CD1 ILE A 38 -3.186 4.129 28.099 1.00 0.84 C ATOM 0 H ILE A 38 0.804 4.972 28.252 1.00 0.21 H new ATOM 0 HA ILE A 38 0.459 1.977 27.999 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.912 4.399 26.695 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.931 2.578 28.931 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.319 4.200 29.186 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.597 2.726 25.986 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.984 2.315 25.355 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.641 1.437 26.756 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.793 4.216 29.000 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -3.061 5.114 27.649 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.682 3.466 27.390 1.00 0.84 H new ATOM 613 N TYR A 39 1.731 1.769 25.939 1.00 0.19 N ATOM 614 CA TYR A 39 2.639 1.604 24.770 1.00 0.21 C ATOM 615 C TYR A 39 1.941 0.784 23.679 1.00 0.20 C ATOM 616 O TYR A 39 1.088 -0.031 23.962 1.00 0.20 O ATOM 617 CB TYR A 39 3.826 0.819 25.322 1.00 0.24 C ATOM 618 CG TYR A 39 4.754 1.726 26.080 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.336 2.333 27.270 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.043 1.939 25.599 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.215 3.163 27.977 1.00 0.37 C ATOM 622 CE2 TYR A 39 6.924 2.766 26.300 1.00 0.36 C ATOM 623 CZ TYR A 39 6.511 3.381 27.491 1.00 0.39 C ATOM 624 OH TYR A 39 7.379 4.202 28.179 1.00 0.45 O ATOM 0 H TYR A 39 1.444 0.895 26.379 1.00 0.19 H new ATOM 0 HA TYR A 39 2.931 2.557 24.328 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.470 0.024 25.977 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.364 0.340 24.504 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.337 2.161 27.642 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.362 1.464 24.683 1.00 0.31 H new ATOM 0 HE1 TYR A 39 4.895 3.634 28.895 1.00 0.37 H new ATOM 0 HE2 TYR A 39 7.923 2.932 25.925 1.00 0.36 H new ATOM 0 HH TYR A 39 8.236 4.243 27.705 1.00 0.45 H new ATOM 634 N VAL A 40 2.387 0.889 22.456 1.00 0.21 N ATOM 635 CA VAL A 40 1.837 -0.005 21.395 1.00 0.22 C ATOM 636 C VAL A 40 2.970 -0.635 20.578 1.00 0.22 C ATOM 637 O VAL A 40 3.776 0.054 19.985 1.00 0.23 O ATOM 638 CB VAL A 40 0.983 0.902 20.512 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.469 0.106 19.312 1.00 0.27 C ATOM 640 CG2 VAL A 40 -0.205 1.424 21.323 1.00 0.27 C ATOM 0 H VAL A 40 3.101 1.548 22.147 1.00 0.21 H new ATOM 0 HA VAL A 40 1.260 -0.828 21.817 1.00 0.22 H new ATOM 0 HB VAL A 40 1.583 1.741 20.161 1.00 0.25 H new ATOM 0 HG11 VAL A 40 -0.141 0.752 18.681 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.314 -0.271 18.736 1.00 0.27 H new ATOM 0 HG13 VAL A 40 -0.133 -0.732 19.662 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.817 2.072 20.696 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.805 0.583 21.671 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.160 1.989 22.181 1.00 0.27 H new ATOM 650 N ASP A 41 3.017 -1.939 20.515 1.00 0.21 N ATOM 651 CA ASP A 41 4.074 -2.608 19.701 1.00 0.22 C ATOM 652 C ASP A 41 3.549 -3.922 19.108 1.00 0.25 C ATOM 653 O ASP A 41 2.794 -4.635 19.733 1.00 0.27 O ATOM 654 CB ASP A 41 5.217 -2.877 20.680 1.00 0.20 C ATOM 655 CG ASP A 41 4.753 -3.847 21.767 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.563 -4.096 21.843 1.00 1.69 O ATOM 657 OD2 ASP A 41 5.597 -4.320 22.510 1.00 1.77 O ATOM 0 H ASP A 41 2.371 -2.569 20.991 1.00 0.21 H new ATOM 0 HA ASP A 41 4.393 -1.993 18.859 1.00 0.22 H new ATOM 0 HB2 ASP A 41 6.072 -3.295 20.148 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.548 -1.942 21.132 1.00 0.20 H new ATOM 662 N ASP A 42 4.035 -4.302 17.959 1.00 0.27 N ATOM 663 CA ASP A 42 3.669 -5.634 17.390 1.00 0.33 C ATOM 664 C ASP A 42 2.170 -5.918 17.558 1.00 0.33 C ATOM 665 O ASP A 42 1.775 -7.018 17.887 1.00 0.37 O ATOM 666 CB ASP A 42 4.498 -6.635 18.189 1.00 0.38 C ATOM 667 CG ASP A 42 4.165 -8.056 17.731 1.00 0.45 C ATOM 668 OD1 ASP A 42 3.449 -8.190 16.752 1.00 1.22 O ATOM 669 OD2 ASP A 42 4.634 -8.987 18.365 1.00 1.14 O ATOM 0 H ASP A 42 4.672 -3.748 17.386 1.00 0.27 H new ATOM 0 HA ASP A 42 3.868 -5.687 16.320 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.561 -6.436 18.049 1.00 0.38 H new ATOM 0 HB3 ASP A 42 4.291 -6.527 19.254 1.00 0.38 H new ATOM 674 N GLU A 43 1.331 -4.957 17.277 1.00 0.30 N ATOM 675 CA GLU A 43 -0.143 -5.200 17.352 1.00 0.31 C ATOM 676 C GLU A 43 -0.540 -5.670 18.754 1.00 0.30 C ATOM 677 O GLU A 43 -1.654 -6.094 18.986 1.00 0.31 O ATOM 678 CB GLU A 43 -0.421 -6.293 16.319 1.00 0.35 C ATOM 679 CG GLU A 43 -0.062 -5.782 14.923 1.00 1.17 C ATOM 680 CD GLU A 43 -0.924 -4.564 14.588 1.00 1.34 C ATOM 681 OE1 GLU A 43 -1.926 -4.369 15.258 1.00 1.68 O ATOM 682 OE2 GLU A 43 -0.568 -3.846 13.668 1.00 1.93 O ATOM 0 H GLU A 43 1.601 -4.014 16.999 1.00 0.30 H new ATOM 0 HA GLU A 43 -0.716 -4.295 17.152 1.00 0.31 H new ATOM 0 HB2 GLU A 43 0.161 -7.184 16.552 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -1.472 -6.581 16.353 1.00 0.35 H new ATOM 0 HG2 GLU A 43 0.994 -5.516 14.882 1.00 1.17 H new ATOM 0 HG3 GLU A 43 -0.221 -6.568 14.184 1.00 1.17 H new ATOM 689 N LYS A 44 0.333 -5.512 19.706 1.00 0.29 N ATOM 690 CA LYS A 44 -0.020 -5.852 21.114 1.00 0.30 C ATOM 691 C LYS A 44 0.008 -4.591 21.978 1.00 0.27 C ATOM 692 O LYS A 44 0.726 -3.652 21.696 1.00 0.26 O ATOM 693 CB LYS A 44 1.057 -6.833 21.579 1.00 0.34 C ATOM 694 CG LYS A 44 0.886 -8.171 20.859 1.00 1.29 C ATOM 695 CD LYS A 44 1.871 -9.187 21.440 1.00 1.23 C ATOM 696 CE LYS A 44 1.690 -10.537 20.744 1.00 1.90 C ATOM 697 NZ LYS A 44 2.892 -10.687 19.877 1.00 2.01 N ATOM 0 H LYS A 44 1.281 -5.160 19.571 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.019 -6.280 21.192 1.00 0.30 H new ATOM 0 HB2 LYS A 44 2.047 -6.424 21.375 1.00 0.34 H new ATOM 0 HB3 LYS A 44 0.988 -6.978 22.657 1.00 0.34 H new ATOM 0 HG2 LYS A 44 -0.136 -8.531 20.975 1.00 1.29 H new ATOM 0 HG3 LYS A 44 1.061 -8.047 19.790 1.00 1.29 H new ATOM 0 HD2 LYS A 44 2.893 -8.833 21.308 1.00 1.23 H new ATOM 0 HD3 LYS A 44 1.707 -9.295 22.512 1.00 1.23 H new ATOM 0 HE2 LYS A 44 1.622 -11.349 21.468 1.00 1.90 H new ATOM 0 HE3 LYS A 44 0.773 -10.558 20.155 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 2.681 -11.349 19.103 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 3.151 -9.761 19.480 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.684 -11.055 20.442 1.00 2.01 H new ATOM 711 N ILE A 45 -0.739 -4.574 23.045 1.00 0.28 N ATOM 712 CA ILE A 45 -0.720 -3.388 23.942 1.00 0.27 C ATOM 713 C ILE A 45 0.307 -3.594 25.059 1.00 0.27 C ATOM 714 O ILE A 45 0.294 -4.595 25.749 1.00 0.29 O ATOM 715 CB ILE A 45 -2.132 -3.314 24.519 1.00 0.30 C ATOM 716 CG1 ILE A 45 -3.143 -3.238 23.373 1.00 0.34 C ATOM 717 CG2 ILE A 45 -2.262 -2.067 25.396 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.553 -3.450 23.923 1.00 1.25 C ATOM 0 H ILE A 45 -1.361 -5.329 23.334 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.444 -2.472 23.420 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.327 -4.202 25.121 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -3.076 -2.269 22.878 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.916 -3.995 22.623 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -3.270 -2.015 25.807 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.540 -2.118 26.211 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -2.069 -1.178 24.795 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.274 -3.396 23.107 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.615 -4.429 24.398 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.777 -2.676 24.657 1.00 1.25 H new ATOM 730 N ILE A 46 1.175 -2.640 25.256 1.00 0.26 N ATOM 731 CA ILE A 46 2.190 -2.749 26.344 1.00 0.29 C ATOM 732 C ILE A 46 1.899 -1.714 27.434 1.00 0.29 C ATOM 733 O ILE A 46 1.890 -0.530 27.188 1.00 0.31 O ATOM 734 CB ILE A 46 3.532 -2.458 25.658 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.804 -3.530 24.600 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.663 -2.452 26.692 1.00 0.37 C ATOM 737 CD1 ILE A 46 3.562 -4.913 25.202 1.00 0.50 C ATOM 0 H ILE A 46 1.226 -1.783 24.706 1.00 0.26 H new ATOM 0 HA ILE A 46 2.186 -3.726 26.827 1.00 0.29 H new ATOM 0 HB ILE A 46 3.486 -1.478 25.182 1.00 0.32 H new ATOM 0 HG12 ILE A 46 3.155 -3.378 23.738 1.00 0.44 H new ATOM 0 HG13 ILE A 46 4.831 -3.452 24.243 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.610 -2.245 26.194 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.469 -1.682 27.439 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.715 -3.425 27.180 1.00 0.37 H new ATOM 0 HD11 ILE A 46 3.756 -5.677 24.449 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.230 -5.063 26.050 1.00 0.50 H new ATOM 0 HD13 ILE A 46 2.528 -4.988 25.537 1.00 0.50 H new ATOM 749 N LEU A 47 1.649 -2.150 28.636 1.00 0.28 N ATOM 750 CA LEU A 47 1.352 -1.175 29.726 1.00 0.29 C ATOM 751 C LEU A 47 2.396 -1.288 30.837 1.00 0.31 C ATOM 752 O LEU A 47 2.731 -2.368 31.276 1.00 0.39 O ATOM 753 CB LEU A 47 -0.027 -1.564 30.253 1.00 0.34 C ATOM 754 CG LEU A 47 -1.041 -1.539 29.107 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.909 -2.815 28.274 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.456 -1.454 29.684 1.00 1.24 C ATOM 0 H LEU A 47 1.637 -3.132 28.912 1.00 0.28 H new ATOM 0 HA LEU A 47 1.374 -0.146 29.368 1.00 0.29 H new ATOM 0 HB2 LEU A 47 0.010 -2.559 30.698 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.335 -0.875 31.039 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.850 -0.673 28.474 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.632 -2.794 27.459 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.099 -2.879 27.863 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.099 -3.683 28.905 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.180 -1.436 28.870 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.643 -2.321 30.317 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.553 -0.544 30.276 1.00 1.24 H new ATOM 768 N LYS A 48 2.895 -0.181 31.304 1.00 0.29 N ATOM 769 CA LYS A 48 3.904 -0.223 32.402 1.00 0.35 C ATOM 770 C LYS A 48 3.677 0.930 33.382 1.00 0.28 C ATOM 771 O LYS A 48 3.004 1.891 33.073 1.00 0.25 O ATOM 772 CB LYS A 48 5.262 -0.081 31.711 1.00 0.47 C ATOM 773 CG LYS A 48 5.386 1.308 31.075 1.00 0.65 C ATOM 774 CD LYS A 48 6.751 1.426 30.396 1.00 0.85 C ATOM 775 CE LYS A 48 7.186 2.892 30.373 1.00 1.54 C ATOM 776 NZ LYS A 48 7.489 3.227 31.793 1.00 1.74 N ATOM 0 H LYS A 48 2.650 0.753 30.975 1.00 0.29 H new ATOM 0 HA LYS A 48 3.838 -1.145 32.979 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.064 -0.232 32.434 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.372 -0.851 30.947 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.589 1.461 30.347 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.276 2.081 31.835 1.00 0.65 H new ATOM 0 HD2 LYS A 48 7.488 0.826 30.930 1.00 0.85 H new ATOM 0 HD3 LYS A 48 6.698 1.036 29.380 1.00 0.85 H new ATOM 0 HE2 LYS A 48 8.061 3.034 29.739 1.00 1.54 H new ATOM 0 HE3 LYS A 48 6.397 3.531 29.976 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.179 4.004 31.827 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 6.615 3.519 32.275 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 7.885 2.392 32.270 1.00 1.74 H new ATOM 790 N LYS A 49 4.251 0.853 34.551 1.00 0.28 N ATOM 791 CA LYS A 49 4.083 1.962 35.532 1.00 0.25 C ATOM 792 C LYS A 49 4.607 3.270 34.942 1.00 0.22 C ATOM 793 O LYS A 49 5.509 3.279 34.126 1.00 0.24 O ATOM 794 CB LYS A 49 4.912 1.554 36.747 1.00 0.29 C ATOM 795 CG LYS A 49 4.733 2.588 37.860 1.00 0.30 C ATOM 796 CD LYS A 49 5.491 2.131 39.108 1.00 0.54 C ATOM 797 CE LYS A 49 6.998 2.189 38.841 1.00 1.08 C ATOM 798 NZ LYS A 49 7.599 2.630 40.128 1.00 1.65 N ATOM 0 H LYS A 49 4.827 0.073 34.869 1.00 0.28 H new ATOM 0 HA LYS A 49 3.037 2.125 35.792 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.602 0.570 37.098 1.00 0.29 H new ATOM 0 HB3 LYS A 49 5.964 1.478 36.473 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.104 3.559 37.532 1.00 0.30 H new ATOM 0 HG3 LYS A 49 3.675 2.712 38.089 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.236 2.768 39.955 1.00 0.54 H new ATOM 0 HD3 LYS A 49 5.197 1.116 39.373 1.00 0.54 H new ATOM 0 HE2 LYS A 49 7.383 1.215 38.538 1.00 1.08 H new ATOM 0 HE3 LYS A 49 7.230 2.887 38.037 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 8.632 2.694 40.025 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 7.219 3.563 40.387 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 7.367 1.942 40.873 1.00 1.65 H new ATOM 812 N TYR A 50 4.003 4.367 35.293 1.00 0.20 N ATOM 813 CA TYR A 50 4.413 5.667 34.691 1.00 0.21 C ATOM 814 C TYR A 50 5.217 6.497 35.694 1.00 0.22 C ATOM 815 O TYR A 50 4.691 6.983 36.675 1.00 0.22 O ATOM 816 CB TYR A 50 3.100 6.370 34.351 1.00 0.20 C ATOM 817 CG TYR A 50 3.390 7.708 33.717 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.474 7.850 32.843 1.00 0.26 C ATOM 819 CD2 TYR A 50 2.579 8.809 34.008 1.00 0.24 C ATOM 820 CE1 TYR A 50 4.743 9.094 32.260 1.00 0.30 C ATOM 821 CE2 TYR A 50 2.847 10.052 33.428 1.00 0.28 C ATOM 822 CZ TYR A 50 3.930 10.196 32.553 1.00 0.30 C ATOM 823 OH TYR A 50 4.196 11.421 31.978 1.00 0.35 O ATOM 0 H TYR A 50 3.243 4.422 35.971 1.00 0.20 H new ATOM 0 HA TYR A 50 5.049 5.531 33.817 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.512 5.754 33.671 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.504 6.506 35.254 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.102 7.001 32.619 1.00 0.26 H new ATOM 0 HD2 TYR A 50 1.743 8.699 34.683 1.00 0.24 H new ATOM 0 HE1 TYR A 50 5.578 9.204 31.584 1.00 0.30 H new ATOM 0 HE2 TYR A 50 2.219 10.901 33.655 1.00 0.28 H new ATOM 0 HH TYR A 50 3.536 12.077 32.286 1.00 0.35 H new ATOM 995 N VAL B 9 -0.630 8.320 28.654 1.00 0.32 N ATOM 996 CA VAL B 9 -0.819 7.812 30.045 1.00 0.29 C ATOM 997 C VAL B 9 -2.252 8.065 30.527 1.00 0.32 C ATOM 998 O VAL B 9 -2.852 9.078 30.230 1.00 0.37 O ATOM 999 CB VAL B 9 0.183 8.591 30.896 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.021 8.193 32.365 1.00 0.27 C ATOM 1001 CG2 VAL B 9 1.606 8.258 30.436 1.00 0.30 C ATOM 0 HA VAL B 9 -0.657 6.736 30.109 1.00 0.29 H new ATOM 0 HB VAL B 9 0.002 9.660 30.785 1.00 0.30 H new ATOM 0 HG11 VAL B 9 0.735 8.748 32.973 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.992 8.423 32.695 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.204 7.124 32.475 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.323 8.812 31.041 1.00 0.30 H new ATOM 0 HG22 VAL B 9 1.784 7.189 30.550 1.00 0.30 H new ATOM 0 HG23 VAL B 9 1.724 8.536 29.389 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.785 7.157 31.298 1.00 0.31 N ATOM 1012 CA ARG B 10 -4.162 7.341 31.843 1.00 0.36 C ATOM 1013 C ARG B 10 -4.160 7.104 33.355 1.00 0.31 C ATOM 1014 O ARG B 10 -3.271 6.473 33.890 1.00 0.28 O ATOM 1015 CB ARG B 10 -5.013 6.287 31.135 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.479 6.458 31.539 1.00 0.74 C ATOM 1017 CD ARG B 10 -7.048 7.718 30.883 1.00 0.87 C ATOM 1018 NE ARG B 10 -8.442 7.822 31.395 1.00 1.14 N ATOM 1019 CZ ARG B 10 -9.256 8.718 30.904 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.852 9.528 29.962 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.478 8.805 31.356 1.00 1.92 N ATOM 0 H ARG B 10 -2.324 6.291 31.576 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.544 8.348 31.677 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.909 6.386 30.055 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.666 5.288 31.398 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -7.055 5.585 31.233 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.562 6.531 32.623 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -6.463 8.599 31.148 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -7.031 7.639 29.796 1.00 0.87 H new ATOM 0 HE ARG B 10 -8.762 7.192 32.131 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.898 9.462 29.607 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -9.491 10.226 29.581 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.796 8.174 32.092 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -11.115 9.504 30.974 1.00 1.92 H new ATOM 1035 N LYS B 11 -5.137 7.615 34.053 1.00 0.33 N ATOM 1036 CA LYS B 11 -5.175 7.424 35.531 1.00 0.30 C ATOM 1037 C LYS B 11 -5.785 6.062 35.878 1.00 0.26 C ATOM 1038 O LYS B 11 -6.682 5.584 35.211 1.00 0.28 O ATOM 1039 CB LYS B 11 -6.058 8.556 36.058 1.00 0.34 C ATOM 1040 CG LYS B 11 -5.995 8.582 37.587 1.00 1.03 C ATOM 1041 CD LYS B 11 -6.809 9.767 38.111 1.00 1.03 C ATOM 1042 CE LYS B 11 -8.296 9.522 37.847 1.00 1.81 C ATOM 1043 NZ LYS B 11 -8.958 10.822 38.144 1.00 2.21 N ATOM 0 H LYS B 11 -5.910 8.156 33.665 1.00 0.33 H new ATOM 0 HA LYS B 11 -4.178 7.446 35.972 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -5.723 9.511 35.653 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -7.087 8.413 35.728 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -6.387 7.650 37.994 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -4.960 8.664 37.918 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -6.635 9.897 39.179 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -6.489 10.687 37.621 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -8.469 9.218 36.815 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -8.684 8.727 38.483 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -9.982 10.734 37.986 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -8.782 11.083 39.135 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -8.573 11.558 37.519 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.311 5.438 36.923 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.870 4.112 37.320 1.00 0.22 C ATOM 1059 C VAL B 12 -7.157 4.314 38.122 1.00 0.20 C ATOM 1060 O VAL B 12 -7.187 5.061 39.079 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.802 3.472 38.208 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.079 1.973 38.341 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.417 3.681 37.594 1.00 0.29 C ATOM 0 H VAL B 12 -4.561 5.789 37.519 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.109 3.492 36.456 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.831 3.939 39.193 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.318 1.517 38.974 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.061 1.823 38.789 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.056 1.510 37.355 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.663 3.222 38.233 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.384 3.222 36.606 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.216 4.749 37.505 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.218 3.653 37.750 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.488 3.819 38.509 1.00 0.21 C ATOM 1075 C ASP B 13 -9.515 2.859 39.708 1.00 0.22 C ATOM 1076 O ASP B 13 -8.531 2.221 40.022 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.603 3.506 37.500 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.950 2.016 37.525 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.254 1.247 36.884 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.908 1.665 38.191 1.00 0.55 O ATOM 0 H ASP B 13 -8.261 3.010 36.959 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.605 4.821 38.921 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.489 4.095 37.735 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.285 3.794 36.498 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.590 2.846 40.447 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.623 2.039 41.703 1.00 0.26 C ATOM 1087 C GLU B 14 -10.292 0.565 41.433 1.00 0.26 C ATOM 1088 O GLU B 14 -9.669 -0.094 42.241 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.055 2.176 42.219 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.173 1.495 43.584 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.627 1.543 44.055 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.451 2.061 43.321 1.00 2.19 O ATOM 1093 OE2 GLU B 14 -13.893 1.060 45.144 1.00 1.99 O ATOM 0 H GLU B 14 -11.447 3.358 40.237 1.00 0.23 H new ATOM 0 HA GLU B 14 -9.883 2.389 42.422 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.324 3.229 42.302 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.752 1.724 41.514 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.836 0.461 43.516 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -11.529 1.994 44.308 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.790 0.014 40.361 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.595 -1.447 40.117 1.00 0.25 C ATOM 1102 C LEU B 15 -9.168 -1.728 39.625 1.00 0.23 C ATOM 1103 O LEU B 15 -8.731 -2.860 39.571 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.621 -1.804 39.038 1.00 0.28 C ATOM 1105 CG LEU B 15 -12.085 -3.258 39.207 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -10.891 -4.160 39.535 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -13.105 -3.335 40.344 1.00 1.39 C ATOM 0 H LEU B 15 -11.322 0.508 39.644 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.730 -2.038 41.023 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.477 -1.132 39.103 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.182 -1.667 38.050 1.00 0.28 H new ATOM 0 HG LEU B 15 -12.540 -3.596 38.276 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -11.233 -5.188 39.652 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.164 -4.110 38.725 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -10.425 -3.825 40.462 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -13.436 -4.366 40.466 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -12.645 -2.989 41.270 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -13.962 -2.704 40.107 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.447 -0.720 39.220 1.00 0.21 N ATOM 1120 CA GLY B 16 -7.077 -0.965 38.685 1.00 0.20 C ATOM 1121 C GLY B 16 -7.172 -1.349 37.206 1.00 0.21 C ATOM 1122 O GLY B 16 -6.614 -2.339 36.767 1.00 0.21 O ATOM 0 H GLY B 16 -8.743 0.256 39.235 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.463 -0.072 38.802 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.591 -1.761 39.249 1.00 0.20 H new ATOM 1126 N ARG B 17 -7.929 -0.609 36.446 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.122 -0.964 35.014 1.00 0.27 C ATOM 1128 C ARG B 17 -7.511 0.117 34.118 1.00 0.26 C ATOM 1129 O ARG B 17 -7.378 1.260 34.508 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.638 -1.031 34.828 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.194 -2.212 35.628 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.705 -2.315 35.413 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.280 -1.158 36.152 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.556 -1.136 36.442 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.333 -2.109 36.049 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.055 -0.143 37.125 1.00 1.14 N ATOM 0 H ARG B 17 -8.423 0.228 36.756 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.639 -1.904 34.747 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.098 -0.101 35.162 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -9.882 -1.145 33.772 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.709 -3.136 35.315 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -9.976 -2.081 36.688 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -11.957 -2.271 34.353 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.094 -3.259 35.794 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.680 -0.382 36.432 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -13.946 -2.887 35.515 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.327 -2.091 36.276 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.450 0.618 37.434 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.050 -0.128 37.350 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.142 -0.236 32.919 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.541 0.767 31.994 1.00 0.26 C ATOM 1152 C VAL B 18 -7.360 0.836 30.704 1.00 0.24 C ATOM 1153 O VAL B 18 -8.063 -0.091 30.360 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.132 0.249 31.708 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.405 -0.011 33.029 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.221 -1.053 30.910 1.00 0.26 C ATOM 0 H VAL B 18 -7.230 -1.178 32.538 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.524 1.770 32.420 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.582 0.993 31.132 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.400 -0.380 32.825 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.342 0.916 33.598 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -4.954 -0.754 33.606 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.217 -1.424 30.705 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -5.772 -1.796 31.487 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -5.738 -0.868 29.969 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.354 1.961 30.043 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.229 2.115 28.847 1.00 0.22 C ATOM 1168 C VAL B 19 -7.389 2.232 27.575 1.00 0.22 C ATOM 1169 O VAL B 19 -6.482 3.038 27.491 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.003 3.409 29.094 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.125 3.541 28.062 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -9.601 3.383 30.502 1.00 0.24 C ATOM 0 H VAL B 19 -6.785 2.775 30.277 1.00 0.23 H new ATOM 0 HA VAL B 19 -8.888 1.258 28.709 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.328 4.260 29.002 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -10.676 4.465 28.240 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -9.697 3.561 27.060 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -10.802 2.692 28.150 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.154 4.306 30.680 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.276 2.532 30.595 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -8.800 3.293 31.236 1.00 0.24 H new ATOM 1182 N ILE B 20 -7.755 1.517 26.548 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.058 1.681 25.242 1.00 0.24 C ATOM 1184 C ILE B 20 -7.677 2.858 24.479 1.00 0.24 C ATOM 1185 O ILE B 20 -8.878 2.975 24.404 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.301 0.355 24.508 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.220 -0.650 24.914 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.247 0.567 22.992 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -4.842 -0.091 24.554 1.00 1.38 C ATOM 0 H ILE B 20 -8.506 0.827 26.556 1.00 0.22 H new ATOM 0 HA ILE B 20 -5.994 1.894 25.344 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.287 -0.024 24.778 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.276 -0.847 25.985 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -6.383 -1.600 24.406 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.421 -0.382 22.485 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.015 1.282 22.697 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.266 0.952 22.713 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -4.072 -0.807 24.843 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -4.790 0.084 23.479 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -4.681 0.848 25.083 1.00 1.38 H new ATOM 1201 N PRO B 21 -6.834 3.659 23.887 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.323 4.792 23.063 1.00 0.30 C ATOM 1203 C PRO B 21 -8.208 4.266 21.929 1.00 0.28 C ATOM 1204 O PRO B 21 -7.952 3.221 21.367 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.049 5.435 22.509 1.00 0.35 C ATOM 1206 CG PRO B 21 -4.945 4.457 22.776 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.375 3.589 23.927 1.00 0.32 C ATOM 0 HA PRO B 21 -7.927 5.502 23.628 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.145 5.634 21.442 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -5.851 6.390 22.995 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.748 3.851 21.892 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.019 4.980 23.016 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.020 2.565 23.811 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -4.982 3.957 24.875 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.273 4.952 21.619 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.196 4.447 20.561 1.00 0.30 C ATOM 1217 C ILE B 22 -9.431 4.213 19.257 1.00 0.33 C ATOM 1218 O ILE B 22 -9.732 3.308 18.505 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.243 5.548 20.384 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.440 4.993 19.608 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.633 6.720 19.612 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -12.000 4.611 18.193 1.00 1.11 C ATOM 0 H ILE B 22 -9.544 5.836 22.049 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.652 3.495 20.833 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.572 5.894 21.364 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -12.847 4.122 20.121 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -13.235 5.737 19.564 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -11.381 7.503 19.488 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.782 7.117 20.165 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -10.301 6.377 18.632 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -12.853 4.216 17.641 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -11.614 5.493 17.682 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -11.220 3.852 18.247 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.419 4.992 18.999 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.620 4.772 17.761 1.00 0.40 C ATOM 1236 C GLU B 23 -7.040 3.356 17.769 1.00 0.37 C ATOM 1237 O GLU B 23 -6.976 2.691 16.752 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.499 5.811 17.827 1.00 0.44 C ATOM 1239 CG GLU B 23 -7.101 7.216 17.753 1.00 1.22 C ATOM 1240 CD GLU B 23 -7.848 7.382 16.429 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -7.612 6.587 15.535 1.00 2.37 O ATOM 1242 OE2 GLU B 23 -8.643 8.303 16.332 1.00 2.00 O ATOM 0 H GLU B 23 -8.111 5.767 19.587 1.00 0.36 H new ATOM 0 HA GLU B 23 -8.214 4.874 16.853 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -5.934 5.694 18.752 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.799 5.660 17.005 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -7.782 7.376 18.589 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -6.314 7.965 17.835 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.668 2.873 18.922 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.152 1.480 19.023 1.00 0.33 C ATOM 1251 C LEU B 24 -7.310 0.481 19.088 1.00 0.29 C ATOM 1252 O LEU B 24 -7.205 -0.628 18.606 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.333 1.449 20.312 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.126 2.378 20.168 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.203 2.206 21.375 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.363 2.027 18.890 1.00 1.75 C ATOM 0 H LEU B 24 -6.700 3.386 19.803 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.552 1.202 18.157 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -5.949 1.762 21.155 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.001 0.432 20.521 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.468 3.412 20.116 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.343 2.868 21.273 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -3.746 2.455 22.287 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -2.861 1.172 21.427 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.503 2.688 18.787 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.022 0.993 18.942 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -4.020 2.149 18.029 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.443 0.887 19.597 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.615 -0.033 19.576 1.00 0.23 C ATOM 1270 C ARG B 25 -9.892 -0.451 18.133 1.00 0.26 C ATOM 1271 O ARG B 25 -10.164 -1.599 17.846 1.00 0.25 O ATOM 1272 CB ARG B 25 -10.801 0.779 20.109 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.525 1.273 21.531 1.00 0.21 C ATOM 1274 CD ARG B 25 -11.811 1.889 22.097 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.372 2.771 23.213 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.155 3.723 23.644 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.332 3.901 23.105 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -11.763 4.497 24.618 1.00 0.27 N ATOM 0 H ARG B 25 -8.606 1.801 20.020 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.442 -0.928 20.173 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -10.989 1.629 19.454 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.701 0.165 20.101 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.193 0.447 22.160 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.723 2.011 21.525 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.343 2.457 21.334 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.493 1.116 22.452 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.457 2.631 23.642 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.642 3.295 22.345 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -13.941 4.646 23.444 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -10.846 4.358 25.042 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.374 5.241 24.956 1.00 0.27 H new ATOM 1292 N ARG B 26 -9.856 0.488 17.227 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.153 0.163 15.802 1.00 0.33 C ATOM 1294 C ARG B 26 -8.997 -0.622 15.175 1.00 0.35 C ATOM 1295 O ARG B 26 -9.200 -1.615 14.506 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.310 1.522 15.116 1.00 0.37 C ATOM 1297 CG ARG B 26 -11.493 2.272 15.732 1.00 1.07 C ATOM 1298 CD ARG B 26 -12.793 1.535 15.401 1.00 1.25 C ATOM 1299 NE ARG B 26 -13.875 2.408 15.935 1.00 1.86 N ATOM 1300 CZ ARG B 26 -15.103 2.264 15.511 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -15.388 1.355 14.618 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -16.048 3.031 15.984 1.00 3.27 N ATOM 0 H ARG B 26 -9.634 1.466 17.412 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.043 -0.458 15.700 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -9.397 2.106 15.230 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -10.470 1.385 14.047 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -11.369 2.344 16.812 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.532 3.291 15.347 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -12.900 1.386 14.327 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -12.817 0.548 15.864 1.00 1.25 H new ATOM 0 HE ARG B 26 -13.657 3.119 16.633 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -14.651 0.754 14.249 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -16.348 1.246 14.290 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -15.827 3.741 16.683 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -17.007 2.921 15.655 1.00 3.27 H new ATOM 1316 N THR B 27 -7.789 -0.163 15.355 1.00 0.37 N ATOM 1317 CA THR B 27 -6.622 -0.854 14.732 1.00 0.41 C ATOM 1318 C THR B 27 -6.467 -2.273 15.290 1.00 0.39 C ATOM 1319 O THR B 27 -5.974 -3.159 14.620 1.00 0.42 O ATOM 1320 CB THR B 27 -5.410 0.004 15.098 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.636 1.341 14.676 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.164 -0.550 14.407 1.00 0.77 C ATOM 0 H THR B 27 -7.558 0.663 15.908 1.00 0.37 H new ATOM 0 HA THR B 27 -6.740 -0.958 13.653 1.00 0.41 H new ATOM 0 HB THR B 27 -5.261 -0.016 16.178 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.046 1.850 15.406 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.301 0.062 14.668 1.00 0.77 H new ATOM 0 HG22 THR B 27 -3.993 -1.576 14.733 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.308 -0.531 13.327 1.00 0.77 H new ATOM 1330 N LEU B 28 -6.824 -2.482 16.526 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.632 -3.831 17.135 1.00 0.35 C ATOM 1332 C LEU B 28 -7.838 -4.732 16.845 1.00 0.33 C ATOM 1333 O LEU B 28 -7.835 -5.905 17.163 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.497 -3.572 18.635 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.053 -4.858 19.335 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.588 -5.142 19.002 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.209 -4.692 20.849 1.00 1.05 C ATOM 0 H LEU B 28 -7.239 -1.781 17.140 1.00 0.35 H new ATOM 0 HA LEU B 28 -5.760 -4.343 16.729 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.772 -2.778 18.814 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.449 -3.232 19.044 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.670 -5.689 18.993 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.272 -6.058 19.501 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.476 -5.259 17.924 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -3.970 -4.312 19.343 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -5.893 -5.607 21.350 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.592 -3.861 21.189 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.253 -4.490 21.087 1.00 1.05 H new ATOM 1349 N GLY B 29 -8.861 -4.204 16.231 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.047 -5.048 15.907 1.00 0.32 C ATOM 1351 C GLY B 29 -10.736 -5.482 17.200 1.00 0.29 C ATOM 1352 O GLY B 29 -11.148 -6.616 17.345 1.00 0.29 O ATOM 0 H GLY B 29 -8.928 -3.229 15.940 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -10.744 -4.489 15.282 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -9.738 -5.924 15.336 1.00 0.32 H new ATOM 1356 N ILE B 30 -10.850 -4.596 18.150 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.497 -4.968 19.440 1.00 0.24 C ATOM 1358 C ILE B 30 -12.777 -4.157 19.656 1.00 0.23 C ATOM 1359 O ILE B 30 -12.844 -2.983 19.351 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.466 -4.638 20.518 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.187 -5.435 20.256 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.028 -5.015 21.891 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.535 -6.914 20.074 1.00 0.30 C ATOM 0 H ILE B 30 -10.524 -3.631 18.089 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.785 -6.019 19.460 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.243 -3.571 20.496 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.686 -5.056 19.365 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.493 -5.313 21.088 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.294 -4.780 22.662 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -11.942 -4.451 22.077 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.249 -6.082 21.913 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.624 -7.482 19.887 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.017 -7.288 20.977 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.213 -7.027 19.228 1.00 0.30 H new ATOM 1375 N ALA B 31 -13.802 -4.796 20.139 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.103 -4.101 20.341 1.00 0.23 C ATOM 1377 C ALA B 31 -15.757 -4.581 21.639 1.00 0.20 C ATOM 1378 O ALA B 31 -15.357 -5.571 22.218 1.00 0.19 O ATOM 1379 CB ALA B 31 -15.955 -4.501 19.137 1.00 0.23 C ATOM 0 H ALA B 31 -13.795 -5.781 20.406 1.00 0.22 H new ATOM 0 HA ALA B 31 -14.988 -3.020 20.419 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -16.934 -4.028 19.211 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.464 -4.177 18.220 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.076 -5.584 19.120 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.755 -3.885 22.104 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.424 -4.299 23.370 1.00 0.21 C ATOM 1387 C GLU B 32 -17.872 -5.763 23.286 1.00 0.19 C ATOM 1388 O GLU B 32 -18.282 -6.238 22.247 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.637 -3.376 23.495 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.324 -3.615 24.840 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.594 -2.766 24.923 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -20.885 -2.076 23.960 1.00 1.12 O ATOM 1393 OE2 GLU B 32 -21.253 -2.819 25.949 1.00 1.13 O ATOM 0 H GLU B 32 -17.137 -3.048 21.664 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.759 -4.222 24.230 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.325 -2.335 23.414 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.336 -3.564 22.680 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.572 -4.671 24.951 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.648 -3.358 25.656 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.840 -6.460 24.394 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.312 -7.881 24.434 1.00 0.20 C ATOM 1402 C LYS B 33 -17.292 -8.822 23.781 1.00 0.18 C ATOM 1403 O LYS B 33 -17.408 -10.027 23.874 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.635 -7.903 23.664 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.410 -9.173 24.020 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.702 -9.229 23.206 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.553 -10.411 23.676 1.00 1.35 C ATOM 1408 NZ LYS B 33 -21.998 -11.593 22.960 1.00 1.88 N ATOM 0 H LYS B 33 -17.502 -6.100 25.287 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.437 -8.226 25.461 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.227 -7.022 23.911 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.445 -7.869 22.591 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.800 -10.053 23.815 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.639 -9.185 25.086 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.258 -8.299 23.322 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.472 -9.332 22.146 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -22.489 -10.538 24.757 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -23.605 -10.261 23.434 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -22.572 -12.432 23.178 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -22.016 -11.418 21.935 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -21.018 -11.756 23.266 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.244 -8.291 23.211 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.173 -9.179 22.668 1.00 0.16 C ATOM 1424 C ASP B 34 -14.303 -9.709 23.809 1.00 0.19 C ATOM 1425 O ASP B 34 -14.413 -9.270 24.936 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.354 -8.298 21.730 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.152 -8.042 20.452 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.197 -8.651 20.296 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.702 -7.243 19.651 1.00 1.09 O ATOM 0 H ASP B 34 -16.083 -7.290 23.098 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.581 -10.046 22.149 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.113 -7.353 22.218 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.408 -8.783 21.491 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.490 -10.695 23.543 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.675 -11.299 24.635 1.00 0.28 C ATOM 1436 C ALA B 35 -11.211 -10.856 24.531 1.00 0.20 C ATOM 1437 O ALA B 35 -10.578 -11.004 23.506 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.794 -12.809 24.423 1.00 0.36 C ATOM 0 H ALA B 35 -13.355 -11.107 22.620 1.00 0.22 H new ATOM 0 HA ALA B 35 -13.022 -10.991 25.621 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.220 -13.330 25.189 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.841 -13.104 24.490 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.406 -13.070 23.438 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.648 -10.403 25.618 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.199 -10.053 25.628 1.00 0.21 C ATOM 1446 C LEU B 36 -8.426 -11.102 26.429 1.00 0.19 C ATOM 1447 O LEU B 36 -8.857 -11.510 27.486 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.118 -8.704 26.342 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.146 -7.739 25.756 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.362 -6.593 26.742 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.625 -7.182 24.428 1.00 0.56 C ATOM 0 H LEU B 36 -11.132 -10.260 26.504 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.777 -10.014 24.624 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.299 -8.837 27.409 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.116 -8.288 26.238 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.088 -8.260 25.581 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.095 -5.896 26.335 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.727 -6.991 27.689 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.419 -6.072 26.907 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.359 -6.493 24.010 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.687 -6.654 24.598 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.458 -8.002 23.730 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.236 -11.435 26.018 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.400 -12.332 26.864 1.00 0.20 C ATOM 1465 C GLU B 37 -5.251 -11.537 27.486 1.00 0.18 C ATOM 1466 O GLU B 37 -4.732 -10.612 26.893 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.878 -13.415 25.921 1.00 0.24 C ATOM 1468 CG GLU B 37 -5.109 -14.467 26.724 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.516 -15.504 25.770 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.693 -15.350 24.572 1.00 1.17 O ATOM 1471 OE2 GLU B 37 -3.892 -16.436 26.252 1.00 1.07 O ATOM 0 H GLU B 37 -6.809 -11.130 25.144 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.963 -12.770 27.688 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.709 -13.882 25.392 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.228 -12.972 25.166 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.315 -13.991 27.300 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.774 -14.953 27.438 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.957 -11.797 28.728 1.00 0.20 N ATOM 1479 CA ILE B 38 -3.968 -10.957 29.456 1.00 0.20 C ATOM 1480 C ILE B 38 -2.683 -11.743 29.710 1.00 0.19 C ATOM 1481 O ILE B 38 -2.709 -12.887 30.128 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.649 -10.603 30.777 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -5.982 -9.906 30.493 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.747 -9.665 31.582 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.724 -9.665 31.807 1.00 0.84 C ATOM 0 H ILE B 38 -5.361 -12.559 29.273 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.686 -10.070 28.889 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.828 -11.514 31.348 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.807 -8.959 29.983 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.590 -10.519 29.827 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.233 -9.413 32.524 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.797 -10.159 31.785 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.568 -8.754 31.011 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.673 -9.169 31.603 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -6.912 -10.619 32.299 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -6.117 -9.035 32.457 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.566 -11.130 29.427 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.248 -11.802 29.600 1.00 0.20 C ATOM 1499 C TYR B 39 0.606 -11.026 30.609 1.00 0.20 C ATOM 1500 O TYR B 39 0.455 -9.831 30.764 1.00 0.19 O ATOM 1501 CB TYR B 39 0.397 -11.726 28.218 1.00 0.23 C ATOM 1502 CG TYR B 39 -0.169 -12.784 27.311 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.512 -12.734 26.918 1.00 0.31 C ATOM 1504 CD2 TYR B 39 0.660 -13.806 26.846 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -2.025 -13.714 26.061 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.150 -14.786 25.991 1.00 0.36 C ATOM 1507 CZ TYR B 39 -1.192 -14.741 25.597 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.693 -15.711 24.754 1.00 0.45 O ATOM 0 H TYR B 39 -1.511 -10.174 29.077 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.344 -12.823 29.968 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.228 -10.740 27.785 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.476 -11.854 28.307 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -2.151 -11.940 27.276 1.00 0.31 H new ATOM 0 HD2 TYR B 39 1.697 -13.839 27.147 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -3.061 -13.679 25.758 1.00 0.37 H new ATOM 0 HE2 TYR B 39 0.791 -15.578 25.634 1.00 0.36 H new ATOM 0 HH TYR B 39 -0.982 -16.346 24.527 1.00 0.45 H new ATOM 1518 N VAL B 40 1.584 -11.659 31.197 1.00 0.21 N ATOM 1519 CA VAL B 40 2.531 -10.902 32.069 1.00 0.21 C ATOM 1520 C VAL B 40 3.981 -11.251 31.717 1.00 0.21 C ATOM 1521 O VAL B 40 4.385 -12.395 31.779 1.00 0.23 O ATOM 1522 CB VAL B 40 2.202 -11.346 33.493 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.203 -10.719 34.464 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.789 -10.885 33.853 1.00 0.26 C ATOM 0 H VAL B 40 1.769 -12.659 31.114 1.00 0.21 H new ATOM 0 HA VAL B 40 2.429 -9.824 31.944 1.00 0.21 H new ATOM 0 HB VAL B 40 2.260 -12.432 33.560 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.970 -11.035 35.481 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.212 -11.042 34.206 1.00 0.26 H new ATOM 0 HG13 VAL B 40 3.142 -9.633 34.398 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.551 -11.200 34.869 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.733 -9.798 33.788 1.00 0.26 H new ATOM 0 HG23 VAL B 40 0.074 -11.327 33.159 1.00 0.26 H new ATOM 1534 N ASP B 41 4.777 -10.267 31.391 1.00 0.21 N ATOM 1535 CA ASP B 41 6.210 -10.541 31.083 1.00 0.21 C ATOM 1536 C ASP B 41 7.088 -9.352 31.495 1.00 0.24 C ATOM 1537 O ASP B 41 6.700 -8.211 31.373 1.00 0.26 O ATOM 1538 CB ASP B 41 6.258 -10.744 29.566 1.00 0.19 C ATOM 1539 CG ASP B 41 5.844 -9.452 28.856 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.354 -8.560 29.528 1.00 1.68 O ATOM 1541 OD2 ASP B 41 6.020 -9.380 27.651 1.00 1.77 O ATOM 0 H ASP B 41 4.497 -9.288 31.325 1.00 0.21 H new ATOM 0 HA ASP B 41 6.586 -11.409 31.625 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.264 -11.031 29.260 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.592 -11.558 29.278 1.00 0.19 H new ATOM 1546 N ASP B 42 8.310 -9.612 31.876 1.00 0.27 N ATOM 1547 CA ASP B 42 9.260 -8.496 32.167 1.00 0.32 C ATOM 1548 C ASP B 42 8.576 -7.380 32.969 1.00 0.32 C ATOM 1549 O ASP B 42 8.779 -6.210 32.710 1.00 0.37 O ATOM 1550 CB ASP B 42 9.684 -7.983 30.792 1.00 0.37 C ATOM 1551 CG ASP B 42 10.627 -6.791 30.958 1.00 0.45 C ATOM 1552 OD1 ASP B 42 11.011 -6.517 32.082 1.00 1.21 O ATOM 1553 OD2 ASP B 42 10.948 -6.171 29.957 1.00 1.14 O ATOM 0 H ASP B 42 8.693 -10.549 31.999 1.00 0.27 H new ATOM 0 HA ASP B 42 10.106 -8.828 32.769 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.180 -8.777 30.233 1.00 0.37 H new ATOM 0 HB3 ASP B 42 8.807 -7.688 30.216 1.00 0.37 H new ATOM 1558 N GLU B 43 7.823 -7.726 33.978 1.00 0.29 N ATOM 1559 CA GLU B 43 7.191 -6.678 34.839 1.00 0.30 C ATOM 1560 C GLU B 43 6.320 -5.743 33.996 1.00 0.29 C ATOM 1561 O GLU B 43 5.860 -4.720 34.463 1.00 0.30 O ATOM 1562 CB GLU B 43 8.362 -5.911 35.456 1.00 0.34 C ATOM 1563 CG GLU B 43 9.189 -6.858 36.330 1.00 1.17 C ATOM 1564 CD GLU B 43 8.314 -7.407 37.459 1.00 1.34 C ATOM 1565 OE1 GLU B 43 7.270 -6.827 37.707 1.00 1.68 O ATOM 1566 OE2 GLU B 43 8.704 -8.396 38.055 1.00 1.92 O ATOM 0 H GLU B 43 7.617 -8.688 34.246 1.00 0.29 H new ATOM 0 HA GLU B 43 6.540 -7.111 35.599 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.986 -5.486 34.670 1.00 0.34 H new ATOM 0 HB3 GLU B 43 7.991 -5.078 36.054 1.00 0.34 H new ATOM 0 HG2 GLU B 43 9.580 -7.678 35.727 1.00 1.17 H new ATOM 0 HG3 GLU B 43 10.048 -6.330 36.745 1.00 1.17 H new ATOM 1573 N LYS B 44 6.015 -6.133 32.791 1.00 0.29 N ATOM 1574 CA LYS B 44 5.088 -5.322 31.954 1.00 0.30 C ATOM 1575 C LYS B 44 3.816 -6.119 31.665 1.00 0.27 C ATOM 1576 O LYS B 44 3.827 -7.333 31.634 1.00 0.26 O ATOM 1577 CB LYS B 44 5.846 -5.049 30.655 1.00 0.34 C ATOM 1578 CG LYS B 44 6.995 -4.075 30.918 1.00 1.29 C ATOM 1579 CD LYS B 44 7.651 -3.697 29.589 1.00 1.23 C ATOM 1580 CE LYS B 44 8.785 -2.701 29.837 1.00 1.90 C ATOM 1581 NZ LYS B 44 10.036 -3.477 29.608 1.00 2.00 N ATOM 0 H LYS B 44 6.369 -6.981 32.348 1.00 0.29 H new ATOM 0 HA LYS B 44 4.790 -4.398 32.450 1.00 0.30 H new ATOM 0 HB2 LYS B 44 6.235 -5.982 30.248 1.00 0.34 H new ATOM 0 HB3 LYS B 44 5.169 -4.633 29.909 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.622 -3.182 31.420 1.00 1.29 H new ATOM 0 HG3 LYS B 44 7.729 -4.531 31.582 1.00 1.29 H new ATOM 0 HD2 LYS B 44 8.039 -4.589 29.098 1.00 1.23 H new ATOM 0 HD3 LYS B 44 6.911 -3.260 28.919 1.00 1.23 H new ATOM 0 HE2 LYS B 44 8.718 -1.850 29.159 1.00 1.90 H new ATOM 0 HE3 LYS B 44 8.747 -2.304 30.851 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 10.820 -3.033 30.127 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 9.906 -4.452 29.945 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 10.256 -3.489 28.592 1.00 2.00 H new ATOM 1595 N ILE B 45 2.728 -5.448 31.417 1.00 0.28 N ATOM 1596 CA ILE B 45 1.469 -6.171 31.091 1.00 0.26 C ATOM 1597 C ILE B 45 1.331 -6.321 29.575 1.00 0.26 C ATOM 1598 O ILE B 45 1.421 -5.360 28.836 1.00 0.29 O ATOM 1599 CB ILE B 45 0.355 -5.286 31.646 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.592 -5.049 33.138 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -0.995 -5.979 31.448 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.345 -3.949 33.636 1.00 1.24 C ATOM 0 H ILE B 45 2.656 -4.431 31.426 1.00 0.28 H new ATOM 0 HA ILE B 45 1.442 -7.175 31.515 1.00 0.26 H new ATOM 0 HB ILE B 45 0.353 -4.331 31.120 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.418 -5.969 33.695 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.630 -4.763 33.311 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.790 -5.347 31.844 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.164 -6.150 30.385 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -0.994 -6.934 31.974 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.176 -3.781 34.700 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.149 -3.028 33.087 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.380 -4.253 33.477 1.00 1.24 H new ATOM 1614 N ILE B 46 1.088 -7.519 29.113 1.00 0.26 N ATOM 1615 CA ILE B 46 0.910 -7.742 27.649 1.00 0.29 C ATOM 1616 C ILE B 46 -0.542 -8.127 27.352 1.00 0.28 C ATOM 1617 O ILE B 46 -1.045 -9.114 27.845 1.00 0.31 O ATOM 1618 CB ILE B 46 1.859 -8.899 27.314 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.301 -8.470 27.589 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.711 -9.292 25.842 1.00 0.37 C ATOM 1621 CD1 ILE B 46 3.554 -7.101 26.963 1.00 0.50 C ATOM 0 H ILE B 46 1.005 -8.356 29.690 1.00 0.26 H new ATOM 0 HA ILE B 46 1.128 -6.853 27.058 1.00 0.29 H new ATOM 0 HB ILE B 46 1.608 -9.758 27.936 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.481 -8.429 28.663 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.994 -9.203 27.178 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.389 -10.114 25.615 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.685 -9.605 25.650 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.953 -8.437 25.211 1.00 0.37 H new ATOM 0 HD11 ILE B 46 4.582 -6.796 27.159 1.00 0.50 H new ATOM 0 HD12 ILE B 46 3.391 -7.157 25.887 1.00 0.50 H new ATOM 0 HD13 ILE B 46 2.870 -6.371 27.396 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.228 -7.350 26.562 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.651 -7.681 26.256 1.00 0.29 C ATOM 1635 C LEU B 47 -2.826 -7.917 24.755 1.00 0.31 C ATOM 1636 O LEU B 47 -2.356 -7.151 23.939 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.453 -6.458 26.699 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.193 -6.185 28.181 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -1.855 -5.460 28.339 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.314 -5.307 28.740 1.00 1.23 C ATOM 0 H LEU B 47 -0.870 -6.505 26.117 1.00 0.28 H new ATOM 0 HA LEU B 47 -2.979 -8.588 26.764 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.170 -5.590 26.104 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.517 -6.627 26.531 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.162 -7.129 28.725 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.669 -5.265 29.395 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.055 -6.082 27.939 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -1.887 -4.515 27.796 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.130 -5.111 29.796 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.343 -4.363 28.196 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.269 -5.820 28.627 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.516 -8.960 24.387 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.741 -9.230 22.939 1.00 0.34 C ATOM 1654 C LYS B 48 -5.155 -9.768 22.711 1.00 0.27 C ATOM 1655 O LYS B 48 -5.813 -10.217 23.628 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.696 -10.280 22.559 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.992 -11.598 23.278 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.934 -12.632 22.889 1.00 0.85 C ATOM 1659 CE LYS B 48 -2.527 -14.038 23.002 1.00 1.54 C ATOM 1660 NZ LYS B 48 -3.522 -14.128 21.896 1.00 1.74 N ATOM 0 H LYS B 48 -3.934 -9.637 25.025 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.646 -8.328 22.335 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.701 -10.436 21.480 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.700 -9.927 22.826 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -2.989 -11.446 24.357 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.985 -11.958 23.009 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.591 -12.451 21.870 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -1.064 -12.540 23.539 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -1.755 -14.801 22.901 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -3.001 -14.190 23.972 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 -3.581 -15.111 21.562 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -4.454 -13.823 22.242 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -3.226 -13.513 21.112 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.620 -9.751 21.492 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.981 -10.288 21.208 1.00 0.25 C ATOM 1676 C LYS B 49 -7.062 -11.758 21.619 1.00 0.22 C ATOM 1677 O LYS B 49 -6.081 -12.475 21.593 1.00 0.24 O ATOM 1678 CB LYS B 49 -7.165 -10.144 19.699 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.580 -10.581 19.314 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.795 -10.352 17.817 1.00 0.54 C ATOM 1681 CE LYS B 49 -7.917 -11.318 17.019 1.00 1.08 C ATOM 1682 NZ LYS B 49 -8.738 -11.694 15.835 1.00 1.65 N ATOM 0 H LYS B 49 -5.117 -9.389 20.682 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.755 -9.757 21.762 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.998 -9.110 19.399 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.429 -10.752 19.172 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.726 -11.634 19.556 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.315 -10.017 19.888 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -9.844 -10.503 17.563 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -8.549 -9.322 17.557 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -6.982 -10.845 16.717 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -7.654 -12.194 17.612 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -8.203 -12.356 15.238 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.618 -12.148 16.153 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -8.967 -10.841 15.286 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.206 -12.193 22.066 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.327 -13.594 22.557 1.00 0.22 C ATOM 1698 C TYR B 50 -9.076 -14.457 21.539 1.00 0.25 C ATOM 1699 O TYR B 50 -10.262 -14.298 21.330 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.128 -13.481 23.855 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.311 -14.851 24.456 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.276 -15.792 24.386 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.517 -15.184 25.082 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.448 -17.064 24.942 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.690 -16.455 25.638 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.656 -17.397 25.569 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.827 -18.651 26.118 1.00 0.65 O ATOM 0 H TYR B 50 -9.062 -11.640 22.113 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.355 -14.064 22.709 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.609 -12.830 24.559 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -10.099 -13.027 23.657 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.345 -15.535 23.903 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.315 -14.458 25.136 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.650 -17.789 24.888 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.622 -16.711 26.121 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.721 -18.716 26.514 1.00 0.65 H new