USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=10 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= 0.766 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot -75:sc= -3.44! USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= 0.0817 (180deg=0.0208) USER MOD Single : A 48 LYS NZ :NH3+ 148:sc= -0.023 (180deg=-0.6) 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= 0.748 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot -76:sc= -3.54! USER MOD Single : B 44 LYS NZ :NH3+ -154:sc= 0.0737 (180deg=0.0197) USER MOD Single : B 48 LYS NZ :NH3+ 152:sc= -0.0279 (180deg=-0.657) 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 -4.921 -15.770 30.154 1.00 0.37 N ATOM 93 CA ILE A 8 -6.297 -15.733 30.738 1.00 0.37 C ATOM 94 C ILE A 8 -7.088 -14.580 30.119 1.00 0.32 C ATOM 95 O ILE A 8 -6.549 -13.532 29.852 1.00 0.30 O ATOM 96 CB ILE A 8 -6.094 -15.499 32.232 1.00 0.40 C ATOM 97 CG1 ILE A 8 -5.100 -16.524 32.781 1.00 0.45 C ATOM 98 CG2 ILE A 8 -7.432 -15.649 32.958 1.00 0.43 C ATOM 99 CD1 ILE A 8 -5.487 -17.923 32.296 1.00 1.36 C ATOM 0 HA ILE A 8 -6.854 -16.650 30.547 1.00 0.37 H new ATOM 0 HB ILE A 8 -5.704 -14.494 32.391 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -4.090 -16.280 32.451 1.00 0.45 H new ATOM 0 HG13 ILE A 8 -5.095 -16.494 33.871 1.00 0.45 H new ATOM 0 HG21 ILE A 8 -7.288 -15.482 34.025 1.00 0.43 H new ATOM 0 HG22 ILE A 8 -8.141 -14.918 32.569 1.00 0.43 H new ATOM 0 HG23 ILE A 8 -7.822 -16.654 32.798 1.00 0.43 H new ATOM 0 HD11 ILE A 8 -4.778 -18.653 32.688 1.00 1.36 H new ATOM 0 HD12 ILE A 8 -6.490 -18.166 32.648 1.00 1.36 H new ATOM 0 HD13 ILE A 8 -5.469 -17.948 31.206 1.00 1.36 H new ATOM 111 N VAL A 9 -8.308 -14.820 29.735 1.00 0.32 N ATOM 112 CA VAL A 9 -9.048 -13.786 28.951 1.00 0.29 C ATOM 113 C VAL A 9 -10.174 -13.160 29.780 1.00 0.32 C ATOM 114 O VAL A 9 -10.857 -13.828 30.532 1.00 0.37 O ATOM 115 CB VAL A 9 -9.613 -14.532 27.744 1.00 0.29 C ATOM 116 CG1 VAL A 9 -10.416 -13.565 26.872 1.00 0.27 C ATOM 117 CG2 VAL A 9 -8.460 -15.118 26.922 1.00 0.30 C ATOM 0 H VAL A 9 -8.825 -15.678 29.926 1.00 0.32 H new ATOM 0 HA VAL A 9 -8.398 -12.962 28.657 1.00 0.29 H new ATOM 0 HB VAL A 9 -10.264 -15.336 28.088 1.00 0.29 H new ATOM 0 HG11 VAL A 9 -10.818 -14.099 26.011 1.00 0.27 H new ATOM 0 HG12 VAL A 9 -11.236 -13.145 27.454 1.00 0.27 H new ATOM 0 HG13 VAL A 9 -9.766 -12.760 26.528 1.00 0.27 H new ATOM 0 HG21 VAL A 9 -8.862 -15.651 26.060 1.00 0.30 H new ATOM 0 HG22 VAL A 9 -7.811 -14.312 26.580 1.00 0.30 H new ATOM 0 HG23 VAL A 9 -7.886 -15.808 27.540 1.00 0.30 H new ATOM 127 N ARG A 10 -10.399 -11.885 29.602 1.00 0.31 N ATOM 128 CA ARG A 10 -11.508 -11.201 30.327 1.00 0.36 C ATOM 129 C ARG A 10 -12.481 -10.584 29.317 1.00 0.31 C ATOM 130 O ARG A 10 -12.155 -10.410 28.159 1.00 0.27 O ATOM 131 CB ARG A 10 -10.831 -10.113 31.158 1.00 0.40 C ATOM 132 CG ARG A 10 -11.872 -9.419 32.039 1.00 0.73 C ATOM 133 CD ARG A 10 -12.301 -10.362 33.165 1.00 0.86 C ATOM 134 NE ARG A 10 -13.354 -9.617 33.909 1.00 1.13 N ATOM 135 CZ ARG A 10 -13.024 -8.641 34.713 1.00 1.36 C ATOM 136 NH1 ARG A 10 -11.769 -8.314 34.868 1.00 1.61 N ATOM 137 NH2 ARG A 10 -13.950 -7.991 35.362 1.00 1.91 N ATOM 0 H ARG A 10 -9.857 -11.284 28.980 1.00 0.31 H new ATOM 0 HA ARG A 10 -12.082 -11.884 30.953 1.00 0.36 H new ATOM 0 HB2 ARG A 10 -10.048 -10.549 31.778 1.00 0.40 H new ATOM 0 HB3 ARG A 10 -10.351 -9.386 30.503 1.00 0.40 H new ATOM 0 HG2 ARG A 10 -11.456 -8.502 32.457 1.00 0.73 H new ATOM 0 HG3 ARG A 10 -12.737 -9.133 31.441 1.00 0.73 H new ATOM 0 HD2 ARG A 10 -12.687 -11.301 32.768 1.00 0.86 H new ATOM 0 HD3 ARG A 10 -11.461 -10.611 33.813 1.00 0.86 H new ATOM 0 HE ARG A 10 -14.335 -9.869 33.791 1.00 1.13 H new ATOM 0 HH11 ARG A 10 -11.044 -8.821 34.361 1.00 1.61 H new ATOM 0 HH12 ARG A 10 -11.514 -7.552 35.496 1.00 1.61 H new ATOM 0 HH21 ARG A 10 -14.931 -8.245 35.242 1.00 1.91 H new ATOM 0 HH22 ARG A 10 -13.694 -7.229 35.990 1.00 1.91 H new ATOM 151 N LYS A 11 -13.676 -10.272 29.736 1.00 0.32 N ATOM 152 CA LYS A 11 -14.671 -9.690 28.788 1.00 0.29 C ATOM 153 C LYS A 11 -14.449 -8.181 28.642 1.00 0.26 C ATOM 154 O LYS A 11 -14.139 -7.494 29.594 1.00 0.27 O ATOM 155 CB LYS A 11 -16.032 -9.973 29.422 1.00 0.33 C ATOM 156 CG LYS A 11 -17.140 -9.745 28.393 1.00 1.02 C ATOM 157 CD LYS A 11 -17.195 -10.935 27.432 1.00 1.03 C ATOM 158 CE LYS A 11 -18.460 -10.841 26.575 1.00 1.81 C ATOM 159 NZ LYS A 11 -19.385 -11.859 27.145 1.00 2.21 N ATOM 0 H LYS A 11 -14.008 -10.394 30.693 1.00 0.32 H new ATOM 0 HA LYS A 11 -14.588 -10.119 27.789 1.00 0.29 H new ATOM 0 HB2 LYS A 11 -16.067 -11.000 29.787 1.00 0.33 H new ATOM 0 HB3 LYS A 11 -16.184 -9.323 30.284 1.00 0.33 H new ATOM 0 HG2 LYS A 11 -18.099 -9.625 28.896 1.00 1.02 H new ATOM 0 HG3 LYS A 11 -16.953 -8.825 27.839 1.00 1.02 H new ATOM 0 HD2 LYS A 11 -16.311 -10.943 26.795 1.00 1.03 H new ATOM 0 HD3 LYS A 11 -17.192 -11.870 27.993 1.00 1.03 H new ATOM 0 HE2 LYS A 11 -18.895 -9.843 26.621 1.00 1.81 H new ATOM 0 HE3 LYS A 11 -18.243 -11.047 25.527 1.00 1.81 H new ATOM 0 HZ1 LYS A 11 -20.277 -11.856 26.610 1.00 2.21 H new ATOM 0 HZ2 LYS A 11 -18.947 -12.800 27.082 1.00 2.21 H new ATOM 0 HZ3 LYS A 11 -19.578 -11.633 28.142 1.00 2.21 H new ATOM 173 N VAL A 12 -14.621 -7.661 27.457 1.00 0.22 N ATOM 174 CA VAL A 12 -14.436 -6.193 27.249 1.00 0.21 C ATOM 175 C VAL A 12 -15.712 -5.447 27.642 1.00 0.20 C ATOM 176 O VAL A 12 -16.794 -5.796 27.218 1.00 0.20 O ATOM 177 CB VAL A 12 -14.179 -6.024 25.750 1.00 0.20 C ATOM 178 CG1 VAL A 12 -13.661 -4.611 25.476 1.00 0.28 C ATOM 179 CG2 VAL A 12 -13.144 -7.047 25.278 1.00 0.28 C ATOM 0 H VAL A 12 -14.882 -8.188 26.623 1.00 0.22 H new ATOM 0 HA VAL A 12 -13.619 -5.796 27.852 1.00 0.21 H new ATOM 0 HB VAL A 12 -15.112 -6.183 25.209 1.00 0.20 H new ATOM 0 HG11 VAL A 12 -13.478 -4.491 24.408 1.00 0.28 H new ATOM 0 HG12 VAL A 12 -14.403 -3.882 25.801 1.00 0.28 H new ATOM 0 HG13 VAL A 12 -12.732 -4.452 26.023 1.00 0.28 H new ATOM 0 HG21 VAL A 12 -12.967 -6.920 24.210 1.00 0.28 H new ATOM 0 HG22 VAL A 12 -12.211 -6.897 25.821 1.00 0.28 H new ATOM 0 HG23 VAL A 12 -13.516 -8.054 25.467 1.00 0.28 H new ATOM 189 N ASP A 13 -15.600 -4.421 28.441 1.00 0.20 N ATOM 190 CA ASP A 13 -16.820 -3.668 28.844 1.00 0.21 C ATOM 191 C ASP A 13 -17.177 -2.630 27.769 1.00 0.22 C ATOM 192 O ASP A 13 -16.644 -2.647 26.677 1.00 0.22 O ATOM 193 CB ASP A 13 -16.468 -3.006 30.183 1.00 0.21 C ATOM 194 CG ASP A 13 -15.868 -1.617 29.958 1.00 0.32 C ATOM 195 OD1 ASP A 13 -14.671 -1.531 29.745 1.00 0.26 O ATOM 196 OD2 ASP A 13 -16.617 -0.658 30.002 1.00 0.55 O ATOM 0 H ASP A 13 -14.723 -4.074 28.829 1.00 0.20 H new ATOM 0 HA ASP A 13 -17.693 -4.312 28.949 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -17.362 -2.926 30.801 1.00 0.21 H new ATOM 0 HB3 ASP A 13 -15.759 -3.630 30.728 1.00 0.21 H new ATOM 201 N GLU A 14 -18.170 -1.823 28.019 1.00 0.23 N ATOM 202 CA GLU A 14 -18.675 -0.906 26.954 1.00 0.26 C ATOM 203 C GLU A 14 -17.562 -0.002 26.407 1.00 0.26 C ATOM 204 O GLU A 14 -17.555 0.338 25.240 1.00 0.29 O ATOM 205 CB GLU A 14 -19.752 -0.066 27.640 1.00 0.28 C ATOM 206 CG GLU A 14 -20.902 -0.972 28.085 1.00 1.22 C ATOM 207 CD GLU A 14 -22.006 -0.123 28.716 1.00 1.57 C ATOM 208 OE1 GLU A 14 -21.772 1.054 28.933 1.00 1.99 O ATOM 209 OE2 GLU A 14 -23.069 -0.664 28.972 1.00 2.19 O ATOM 0 H GLU A 14 -18.655 -1.757 28.914 1.00 0.23 H new ATOM 0 HA GLU A 14 -19.056 -1.463 26.098 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -19.330 0.453 28.501 1.00 0.28 H new ATOM 0 HB3 GLU A 14 -20.121 0.699 26.957 1.00 0.28 H new ATOM 0 HG2 GLU A 14 -21.296 -1.523 27.231 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -20.541 -1.710 28.802 1.00 1.22 H new ATOM 216 N LEU A 15 -16.697 0.488 27.250 1.00 0.23 N ATOM 217 CA LEU A 15 -15.687 1.480 26.772 1.00 0.24 C ATOM 218 C LEU A 15 -14.461 0.787 26.166 1.00 0.22 C ATOM 219 O LEU A 15 -13.563 1.438 25.666 1.00 0.24 O ATOM 220 CB LEU A 15 -15.285 2.278 28.011 1.00 0.28 C ATOM 221 CG LEU A 15 -14.135 3.222 27.653 1.00 0.38 C ATOM 222 CD1 LEU A 15 -14.475 3.979 26.366 1.00 1.28 C ATOM 223 CD2 LEU A 15 -13.926 4.224 28.790 1.00 1.38 C ATOM 0 H LEU A 15 -16.643 0.249 28.240 1.00 0.23 H new ATOM 0 HA LEU A 15 -16.100 2.113 25.987 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -16.136 2.848 28.383 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -14.981 1.602 28.810 1.00 0.28 H new ATOM 0 HG LEU A 15 -13.224 2.642 27.504 1.00 0.38 H new ATOM 0 HD11 LEU A 15 -13.655 4.651 26.112 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -14.626 3.267 25.554 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -15.386 4.558 26.515 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -13.107 4.897 28.536 1.00 1.38 H new ATOM 0 HD22 LEU A 15 -14.838 4.802 28.938 1.00 1.38 H new ATOM 0 HD23 LEU A 15 -13.684 3.688 29.708 1.00 1.38 H new ATOM 235 N GLY A 16 -14.380 -0.512 26.236 1.00 0.21 N ATOM 236 CA GLY A 16 -13.170 -1.196 25.697 1.00 0.19 C ATOM 237 C GLY A 16 -12.031 -1.107 26.717 1.00 0.20 C ATOM 238 O GLY A 16 -10.919 -0.733 26.391 1.00 0.20 O ATOM 0 H GLY A 16 -15.090 -1.125 26.638 1.00 0.21 H new ATOM 0 HA2 GLY A 16 -13.397 -2.240 25.480 1.00 0.19 H new ATOM 0 HA3 GLY A 16 -12.867 -0.734 24.757 1.00 0.19 H new ATOM 242 N ARG A 17 -12.308 -1.392 27.959 1.00 0.24 N ATOM 243 CA ARG A 17 -11.251 -1.271 29.001 1.00 0.26 C ATOM 244 C ARG A 17 -10.918 -2.652 29.573 1.00 0.26 C ATOM 245 O ARG A 17 -11.725 -3.560 29.540 1.00 0.26 O ATOM 246 CB ARG A 17 -11.862 -0.372 30.078 1.00 0.28 C ATOM 247 CG ARG A 17 -12.040 1.040 29.518 1.00 0.28 C ATOM 248 CD ARG A 17 -12.606 1.955 30.606 1.00 0.29 C ATOM 249 NE ARG A 17 -14.001 1.482 30.815 1.00 0.57 N ATOM 250 CZ ARG A 17 -14.866 2.249 31.428 1.00 0.79 C ATOM 251 NH1 ARG A 17 -14.495 3.411 31.898 1.00 0.73 N ATOM 252 NH2 ARG A 17 -16.101 1.857 31.574 1.00 1.15 N ATOM 0 H ARG A 17 -13.219 -1.703 28.297 1.00 0.24 H new ATOM 0 HA ARG A 17 -10.322 -0.859 28.607 1.00 0.26 H new ATOM 0 HB2 ARG A 17 -12.824 -0.772 30.399 1.00 0.28 H new ATOM 0 HB3 ARG A 17 -11.217 -0.348 30.957 1.00 0.28 H new ATOM 0 HG2 ARG A 17 -11.083 1.426 29.165 1.00 0.28 H new ATOM 0 HG3 ARG A 17 -12.712 1.020 28.660 1.00 0.28 H new ATOM 0 HD2 ARG A 17 -12.023 1.885 31.524 1.00 0.29 H new ATOM 0 HD3 ARG A 17 -12.585 2.999 30.294 1.00 0.29 H new ATOM 0 HE ARG A 17 -14.283 0.561 30.481 1.00 0.57 H new ATOM 0 HH11 ARG A 17 -13.530 3.721 31.787 1.00 0.73 H new ATOM 0 HH12 ARG A 17 -15.171 4.007 32.375 1.00 0.73 H new ATOM 0 HH21 ARG A 17 -16.395 0.951 31.210 1.00 1.15 H new ATOM 0 HH22 ARG A 17 -16.773 2.457 32.052 1.00 1.15 H new ATOM 266 N VAL A 18 -9.735 -2.815 30.093 1.00 0.26 N ATOM 267 CA VAL A 18 -9.346 -4.134 30.665 1.00 0.25 C ATOM 268 C VAL A 18 -8.912 -3.960 32.121 1.00 0.24 C ATOM 269 O VAL A 18 -8.490 -2.896 32.527 1.00 0.24 O ATOM 270 CB VAL A 18 -8.172 -4.608 29.808 1.00 0.26 C ATOM 271 CG1 VAL A 18 -8.585 -4.615 28.336 1.00 0.28 C ATOM 272 CG2 VAL A 18 -6.987 -3.659 30.000 1.00 0.26 C ATOM 0 H VAL A 18 -9.019 -2.091 30.147 1.00 0.26 H new ATOM 0 HA VAL A 18 -10.167 -4.850 30.657 1.00 0.25 H new ATOM 0 HB VAL A 18 -7.885 -5.615 30.109 1.00 0.26 H new ATOM 0 HG11 VAL A 18 -7.748 -4.953 27.725 1.00 0.28 H new ATOM 0 HG12 VAL A 18 -9.430 -5.289 28.198 1.00 0.28 H new ATOM 0 HG13 VAL A 18 -8.872 -3.608 28.034 1.00 0.28 H new ATOM 0 HG21 VAL A 18 -6.149 -3.995 29.390 1.00 0.26 H new ATOM 0 HG22 VAL A 18 -7.275 -2.652 29.698 1.00 0.26 H new ATOM 0 HG23 VAL A 18 -6.692 -3.653 31.049 1.00 0.26 H new ATOM 282 N VAL A 19 -9.065 -4.976 32.922 1.00 0.22 N ATOM 283 CA VAL A 19 -8.722 -4.837 34.366 1.00 0.21 C ATOM 284 C VAL A 19 -7.471 -5.649 34.698 1.00 0.22 C ATOM 285 O VAL A 19 -7.365 -6.811 34.358 1.00 0.23 O ATOM 286 CB VAL A 19 -9.934 -5.392 35.114 1.00 0.22 C ATOM 287 CG1 VAL A 19 -9.756 -5.166 36.616 1.00 0.23 C ATOM 288 CG2 VAL A 19 -11.200 -4.676 34.636 1.00 0.24 C ATOM 0 H VAL A 19 -9.411 -5.894 32.642 1.00 0.22 H new ATOM 0 HA VAL A 19 -8.508 -3.804 34.640 1.00 0.21 H new ATOM 0 HB VAL A 19 -10.024 -6.460 34.917 1.00 0.22 H new ATOM 0 HG11 VAL A 19 -10.621 -5.562 37.149 1.00 0.23 H new ATOM 0 HG12 VAL A 19 -8.855 -5.676 36.956 1.00 0.23 H new ATOM 0 HG13 VAL A 19 -9.665 -4.098 36.815 1.00 0.23 H new ATOM 0 HG21 VAL A 19 -12.065 -5.071 35.169 1.00 0.24 H new ATOM 0 HG22 VAL A 19 -11.110 -3.608 34.832 1.00 0.24 H new ATOM 0 HG23 VAL A 19 -11.328 -4.839 33.566 1.00 0.24 H new ATOM 298 N ILE A 20 -6.569 -5.079 35.449 1.00 0.22 N ATOM 299 CA ILE A 20 -5.382 -5.855 35.902 1.00 0.24 C ATOM 300 C ILE A 20 -5.767 -6.720 37.109 1.00 0.24 C ATOM 301 O ILE A 20 -6.330 -6.228 38.060 1.00 0.23 O ATOM 302 CB ILE A 20 -4.351 -4.787 36.287 1.00 0.23 C ATOM 303 CG1 ILE A 20 -3.594 -4.339 35.034 1.00 0.29 C ATOM 304 CG2 ILE A 20 -3.358 -5.353 37.304 1.00 0.24 C ATOM 305 CD1 ILE A 20 -4.546 -3.579 34.108 1.00 1.38 C ATOM 0 H ILE A 20 -6.603 -4.111 35.768 1.00 0.22 H new ATOM 0 HA ILE A 20 -4.992 -6.532 35.142 1.00 0.24 H new ATOM 0 HB ILE A 20 -4.869 -3.937 36.732 1.00 0.23 H new ATOM 0 HG12 ILE A 20 -2.754 -3.702 35.312 1.00 0.29 H new ATOM 0 HG13 ILE A 20 -3.180 -5.205 34.517 1.00 0.29 H new ATOM 0 HG21 ILE A 20 -2.631 -4.585 37.569 1.00 0.24 H new ATOM 0 HG22 ILE A 20 -3.894 -5.670 38.199 1.00 0.24 H new ATOM 0 HG23 ILE A 20 -2.840 -6.208 36.870 1.00 0.24 H new ATOM 0 HD11 ILE A 20 -4.008 -3.260 33.216 1.00 1.38 H new ATOM 0 HD12 ILE A 20 -5.371 -4.231 33.820 1.00 1.38 H new ATOM 0 HD13 ILE A 20 -4.938 -2.705 34.628 1.00 1.38 H new ATOM 317 N PRO A 21 -5.423 -7.977 37.039 1.00 0.28 N ATOM 318 CA PRO A 21 -5.714 -8.904 38.161 1.00 0.30 C ATOM 319 C PRO A 21 -5.085 -8.378 39.453 1.00 0.28 C ATOM 320 O PRO A 21 -4.025 -7.789 39.440 1.00 0.27 O ATOM 321 CB PRO A 21 -5.070 -10.228 37.738 1.00 0.35 C ATOM 322 CG PRO A 21 -4.216 -9.912 36.547 1.00 0.35 C ATOM 323 CD PRO A 21 -4.743 -8.644 35.932 1.00 0.32 C ATOM 0 HA PRO A 21 -6.781 -9.012 38.356 1.00 0.30 H new ATOM 0 HB2 PRO A 21 -4.471 -10.646 38.547 1.00 0.35 H new ATOM 0 HB3 PRO A 21 -5.830 -10.969 37.488 1.00 0.35 H new ATOM 0 HG2 PRO A 21 -3.175 -9.789 36.845 1.00 0.35 H new ATOM 0 HG3 PRO A 21 -4.247 -10.729 35.826 1.00 0.35 H new ATOM 0 HD2 PRO A 21 -3.938 -8.030 35.529 1.00 0.32 H new ATOM 0 HD3 PRO A 21 -5.427 -8.852 35.109 1.00 0.32 H new ATOM 331 N ILE A 22 -5.741 -8.556 40.566 1.00 0.30 N ATOM 332 CA ILE A 22 -5.186 -8.024 41.845 1.00 0.30 C ATOM 333 C ILE A 22 -3.771 -8.553 42.069 1.00 0.32 C ATOM 334 O ILE A 22 -2.924 -7.871 42.609 1.00 0.32 O ATOM 335 CB ILE A 22 -6.133 -8.536 42.932 1.00 0.35 C ATOM 336 CG1 ILE A 22 -5.855 -7.794 44.241 1.00 0.41 C ATOM 337 CG2 ILE A 22 -5.910 -10.034 43.139 1.00 0.42 C ATOM 338 CD1 ILE A 22 -6.168 -6.307 44.064 1.00 1.11 C ATOM 0 H ILE A 22 -6.633 -9.044 40.647 1.00 0.30 H new ATOM 0 HA ILE A 22 -5.119 -6.936 41.845 1.00 0.30 H new ATOM 0 HB ILE A 22 -7.165 -8.361 42.626 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -6.463 -8.211 45.044 1.00 0.41 H new ATOM 0 HG13 ILE A 22 -4.812 -7.925 44.531 1.00 0.41 H new ATOM 0 HG21 ILE A 22 -6.585 -10.399 43.913 1.00 0.42 H new ATOM 0 HG22 ILE A 22 -6.107 -10.563 42.207 1.00 0.42 H new ATOM 0 HG23 ILE A 22 -4.878 -10.210 43.444 1.00 0.42 H new ATOM 0 HD11 ILE A 22 -5.970 -5.780 44.997 1.00 1.11 H new ATOM 0 HD12 ILE A 22 -5.541 -5.895 43.274 1.00 1.11 H new ATOM 0 HD13 ILE A 22 -7.217 -6.186 43.795 1.00 1.11 H new ATOM 350 N GLU A 23 -3.492 -9.744 41.627 1.00 0.36 N ATOM 351 CA GLU A 23 -2.112 -10.281 41.785 1.00 0.40 C ATOM 352 C GLU A 23 -1.108 -9.344 41.109 1.00 0.37 C ATOM 353 O GLU A 23 -0.016 -9.123 41.594 1.00 0.39 O ATOM 354 CB GLU A 23 -2.133 -11.635 41.073 1.00 0.44 C ATOM 355 CG GLU A 23 -0.784 -12.332 41.266 1.00 1.22 C ATOM 356 CD GLU A 23 -0.757 -13.626 40.452 1.00 1.62 C ATOM 357 OE1 GLU A 23 -1.740 -13.904 39.784 1.00 2.01 O ATOM 358 OE2 GLU A 23 0.245 -14.320 40.511 1.00 2.37 O ATOM 0 H GLU A 23 -4.154 -10.367 41.165 1.00 0.36 H new ATOM 0 HA GLU A 23 -1.818 -10.372 42.831 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -2.936 -12.255 41.472 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -2.335 -11.497 40.011 1.00 0.44 H new ATOM 0 HG2 GLU A 23 0.026 -11.674 40.950 1.00 1.22 H new ATOM 0 HG3 GLU A 23 -0.623 -12.551 42.322 1.00 1.22 H new ATOM 365 N LEU A 24 -1.488 -8.768 40.002 1.00 0.34 N ATOM 366 CA LEU A 24 -0.582 -7.825 39.293 1.00 0.33 C ATOM 367 C LEU A 24 -0.655 -6.433 39.921 1.00 0.29 C ATOM 368 O LEU A 24 0.326 -5.724 39.978 1.00 0.29 O ATOM 369 CB LEU A 24 -1.087 -7.795 37.849 1.00 0.33 C ATOM 370 CG LEU A 24 -0.896 -9.171 37.210 1.00 0.94 C ATOM 371 CD1 LEU A 24 -1.263 -9.101 35.725 1.00 1.41 C ATOM 372 CD2 LEU A 24 0.567 -9.597 37.351 1.00 1.75 C ATOM 0 H LEU A 24 -2.394 -8.912 39.556 1.00 0.34 H new ATOM 0 HA LEU A 24 0.460 -8.138 39.353 1.00 0.33 H new ATOM 0 HB2 LEU A 24 -2.140 -7.516 37.827 1.00 0.33 H new ATOM 0 HB3 LEU A 24 -0.545 -7.040 37.279 1.00 0.33 H new ATOM 0 HG LEU A 24 -1.539 -9.896 37.710 1.00 0.94 H new ATOM 0 HD11 LEU A 24 -1.127 -10.082 35.270 1.00 1.41 H new ATOM 0 HD12 LEU A 24 -2.304 -8.794 35.622 1.00 1.41 H new ATOM 0 HD13 LEU A 24 -0.620 -8.377 35.225 1.00 1.41 H new ATOM 0 HD21 LEU A 24 0.706 -10.578 36.896 1.00 1.75 H new ATOM 0 HD22 LEU A 24 1.207 -8.871 36.850 1.00 1.75 H new ATOM 0 HD23 LEU A 24 0.831 -9.646 38.407 1.00 1.75 H new ATOM 384 N ARG A 25 -1.780 -6.068 40.475 1.00 0.25 N ATOM 385 CA ARG A 25 -1.847 -4.756 41.180 1.00 0.23 C ATOM 386 C ARG A 25 -0.797 -4.728 42.288 1.00 0.25 C ATOM 387 O ARG A 25 -0.139 -3.731 42.508 1.00 0.25 O ATOM 388 CB ARG A 25 -3.249 -4.668 41.792 1.00 0.22 C ATOM 389 CG ARG A 25 -4.321 -4.673 40.699 1.00 0.21 C ATOM 390 CD ARG A 25 -5.678 -4.337 41.333 1.00 0.22 C ATOM 391 NE ARG A 25 -6.698 -4.833 40.372 1.00 0.23 N ATOM 392 CZ ARG A 25 -7.930 -5.022 40.763 1.00 0.26 C ATOM 393 NH1 ARG A 25 -8.273 -4.774 41.998 1.00 0.30 N ATOM 394 NH2 ARG A 25 -8.820 -5.462 39.916 1.00 0.27 N ATOM 0 H ARG A 25 -2.643 -6.612 40.471 1.00 0.25 H new ATOM 0 HA ARG A 25 -1.658 -3.922 40.504 1.00 0.23 H new ATOM 0 HB2 ARG A 25 -3.409 -5.508 42.468 1.00 0.22 H new ATOM 0 HB3 ARG A 25 -3.334 -3.759 42.387 1.00 0.22 H new ATOM 0 HG2 ARG A 25 -4.075 -3.945 39.926 1.00 0.21 H new ATOM 0 HG3 ARG A 25 -4.362 -5.649 40.215 1.00 0.21 H new ATOM 0 HD2 ARG A 25 -5.787 -4.818 42.305 1.00 0.22 H new ATOM 0 HD3 ARG A 25 -5.781 -3.264 41.495 1.00 0.22 H new ATOM 0 HE ARG A 25 -6.435 -5.026 39.405 1.00 0.23 H new ATOM 0 HH11 ARG A 25 -7.578 -4.431 42.661 1.00 0.30 H new ATOM 0 HH12 ARG A 25 -9.236 -4.923 42.300 1.00 0.30 H new ATOM 0 HH21 ARG A 25 -8.553 -5.658 38.951 1.00 0.27 H new ATOM 0 HH22 ARG A 25 -9.783 -5.610 40.219 1.00 0.27 H new ATOM 408 N ARG A 26 -0.680 -5.797 43.025 1.00 0.29 N ATOM 409 CA ARG A 26 0.282 -5.810 44.166 1.00 0.33 C ATOM 410 C ARG A 26 1.722 -5.918 43.657 1.00 0.35 C ATOM 411 O ARG A 26 2.585 -5.152 44.036 1.00 0.35 O ATOM 412 CB ARG A 26 -0.089 -7.052 44.976 1.00 0.37 C ATOM 413 CG ARG A 26 -1.501 -6.890 45.543 1.00 1.07 C ATOM 414 CD ARG A 26 -1.831 -8.086 46.439 1.00 1.25 C ATOM 415 NE ARG A 26 -3.279 -7.940 46.756 1.00 1.85 N ATOM 416 CZ ARG A 26 -3.849 -8.746 47.610 1.00 2.32 C ATOM 417 NH1 ARG A 26 -3.152 -9.686 48.192 1.00 2.40 N ATOM 418 NH2 ARG A 26 -5.118 -8.614 47.884 1.00 3.26 N ATOM 0 H ARG A 26 -1.206 -6.660 42.889 1.00 0.29 H new ATOM 0 HA ARG A 26 0.226 -4.897 44.758 1.00 0.33 H new ATOM 0 HB2 ARG A 26 -0.039 -7.939 44.345 1.00 0.37 H new ATOM 0 HB3 ARG A 26 0.625 -7.197 45.787 1.00 0.37 H new ATOM 0 HG2 ARG A 26 -1.571 -5.964 46.114 1.00 1.07 H new ATOM 0 HG3 ARG A 26 -2.225 -6.820 44.731 1.00 1.07 H new ATOM 0 HD2 ARG A 26 -1.631 -9.028 45.929 1.00 1.25 H new ATOM 0 HD3 ARG A 26 -1.226 -8.079 47.345 1.00 1.25 H new ATOM 0 HE ARG A 26 -3.827 -7.208 46.304 1.00 1.85 H new ATOM 0 HH11 ARG A 26 -2.160 -9.791 47.979 1.00 2.40 H new ATOM 0 HH12 ARG A 26 -3.600 -10.314 48.859 1.00 2.40 H new ATOM 0 HH21 ARG A 26 -5.664 -7.881 47.431 1.00 3.26 H new ATOM 0 HH22 ARG A 26 -5.564 -9.244 48.551 1.00 3.26 H new ATOM 432 N THR A 27 1.993 -6.879 42.817 1.00 0.37 N ATOM 433 CA THR A 27 3.384 -7.063 42.310 1.00 0.41 C ATOM 434 C THR A 27 3.835 -5.857 41.482 1.00 0.39 C ATOM 435 O THR A 27 5.008 -5.551 41.408 1.00 0.42 O ATOM 436 CB THR A 27 3.323 -8.318 41.438 1.00 0.44 C ATOM 437 OG1 THR A 27 2.788 -9.394 42.194 1.00 0.61 O ATOM 438 CG2 THR A 27 4.730 -8.678 40.957 1.00 0.77 C ATOM 0 H THR A 27 1.310 -7.547 42.459 1.00 0.37 H new ATOM 0 HA THR A 27 4.101 -7.159 43.126 1.00 0.41 H new ATOM 0 HB THR A 27 2.685 -8.129 40.575 1.00 0.44 H new ATOM 0 HG1 THR A 27 1.817 -9.431 42.069 1.00 0.61 H new ATOM 0 HG21 THR A 27 4.684 -9.573 40.336 1.00 0.77 H new ATOM 0 HG22 THR A 27 5.138 -7.852 40.374 1.00 0.77 H new ATOM 0 HG23 THR A 27 5.372 -8.866 41.818 1.00 0.77 H new ATOM 446 N LEU A 28 2.926 -5.206 40.812 1.00 0.35 N ATOM 447 CA LEU A 28 3.327 -4.070 39.934 1.00 0.34 C ATOM 448 C LEU A 28 3.346 -2.755 40.720 1.00 0.32 C ATOM 449 O LEU A 28 3.750 -1.728 40.212 1.00 0.33 O ATOM 450 CB LEU A 28 2.264 -4.030 38.833 1.00 0.32 C ATOM 451 CG LEU A 28 2.734 -3.116 37.701 1.00 0.44 C ATOM 452 CD1 LEU A 28 3.847 -3.814 36.912 1.00 0.70 C ATOM 453 CD2 LEU A 28 1.560 -2.817 36.766 1.00 1.05 C ATOM 0 H LEU A 28 1.927 -5.409 40.833 1.00 0.35 H new ATOM 0 HA LEU A 28 4.331 -4.199 39.530 1.00 0.34 H new ATOM 0 HB2 LEU A 28 2.083 -5.035 38.451 1.00 0.32 H new ATOM 0 HB3 LEU A 28 1.319 -3.668 39.238 1.00 0.32 H new ATOM 0 HG LEU A 28 3.113 -2.184 38.120 1.00 0.44 H new ATOM 0 HD11 LEU A 28 4.183 -3.164 36.104 1.00 0.70 H new ATOM 0 HD12 LEU A 28 4.684 -4.030 37.576 1.00 0.70 H new ATOM 0 HD13 LEU A 28 3.467 -4.746 36.493 1.00 0.70 H new ATOM 0 HD21 LEU A 28 1.895 -2.165 35.959 1.00 1.05 H new ATOM 0 HD22 LEU A 28 1.182 -3.749 36.347 1.00 1.05 H new ATOM 0 HD23 LEU A 28 0.766 -2.323 37.326 1.00 1.05 H new ATOM 465 N GLY A 29 2.934 -2.776 41.959 1.00 0.32 N ATOM 466 CA GLY A 29 2.953 -1.524 42.766 1.00 0.32 C ATOM 467 C GLY A 29 1.980 -0.509 42.167 1.00 0.29 C ATOM 468 O GLY A 29 2.301 0.651 42.007 1.00 0.29 O ATOM 0 H GLY A 29 2.587 -3.603 42.445 1.00 0.32 H new ATOM 0 HA2 GLY A 29 2.677 -1.741 43.798 1.00 0.32 H new ATOM 0 HA3 GLY A 29 3.960 -1.108 42.786 1.00 0.32 H new ATOM 472 N ILE A 30 0.809 -0.943 41.799 1.00 0.27 N ATOM 473 CA ILE A 30 -0.167 -0.006 41.168 1.00 0.24 C ATOM 474 C ILE A 30 -1.406 0.160 42.049 1.00 0.23 C ATOM 475 O ILE A 30 -1.911 -0.784 42.622 1.00 0.26 O ATOM 476 CB ILE A 30 -0.542 -0.649 39.836 1.00 0.26 C ATOM 477 CG1 ILE A 30 0.724 -0.874 39.006 1.00 0.41 C ATOM 478 CG2 ILE A 30 -1.493 0.273 39.072 1.00 0.33 C ATOM 479 CD1 ILE A 30 1.536 0.424 38.955 1.00 0.29 C ATOM 0 H ILE A 30 0.483 -1.904 41.906 1.00 0.27 H new ATOM 0 HA ILE A 30 0.258 0.989 41.035 1.00 0.24 H new ATOM 0 HB ILE A 30 -1.033 -1.604 40.020 1.00 0.26 H new ATOM 0 HG12 ILE A 30 1.322 -1.673 39.444 1.00 0.41 H new ATOM 0 HG13 ILE A 30 0.459 -1.190 37.997 1.00 0.41 H new ATOM 0 HG21 ILE A 30 -1.760 -0.187 38.121 1.00 0.33 H new ATOM 0 HG22 ILE A 30 -2.395 0.436 39.662 1.00 0.33 H new ATOM 0 HG23 ILE A 30 -1.003 1.229 38.887 1.00 0.33 H new ATOM 0 HD11 ILE A 30 2.438 0.266 38.364 1.00 0.29 H new ATOM 0 HD12 ILE A 30 0.936 1.211 38.498 1.00 0.29 H new ATOM 0 HD13 ILE A 30 1.812 0.720 39.967 1.00 0.29 H new ATOM 491 N ALA A 31 -1.867 1.368 42.188 1.00 0.22 N ATOM 492 CA ALA A 31 -3.042 1.638 43.064 1.00 0.23 C ATOM 493 C ALA A 31 -3.902 2.750 42.459 1.00 0.20 C ATOM 494 O ALA A 31 -3.493 3.440 41.547 1.00 0.18 O ATOM 495 CB ALA A 31 -2.444 2.098 44.394 1.00 0.23 C ATOM 0 H ALA A 31 -1.477 2.191 41.728 1.00 0.22 H new ATOM 0 HA ALA A 31 -3.681 0.763 43.181 1.00 0.23 H new ATOM 0 HB1 ALA A 31 -3.247 2.318 45.097 1.00 0.23 H new ATOM 0 HB2 ALA A 31 -1.811 1.309 44.801 1.00 0.23 H new ATOM 0 HB3 ALA A 31 -1.847 2.996 44.233 1.00 0.23 H new ATOM 501 N GLU A 32 -5.093 2.932 42.958 1.00 0.22 N ATOM 502 CA GLU A 32 -5.975 3.999 42.406 1.00 0.21 C ATOM 503 C GLU A 32 -5.250 5.350 42.401 1.00 0.19 C ATOM 504 O GLU A 32 -4.496 5.662 43.299 1.00 0.20 O ATOM 505 CB GLU A 32 -7.175 4.045 43.353 1.00 0.25 C ATOM 506 CG GLU A 32 -8.203 5.048 42.826 1.00 0.27 C ATOM 507 CD GLU A 32 -9.347 5.185 43.833 1.00 0.32 C ATOM 508 OE1 GLU A 32 -9.304 4.503 44.844 1.00 1.12 O ATOM 509 OE2 GLU A 32 -10.246 5.969 43.576 1.00 1.13 O ATOM 0 H GLU A 32 -5.494 2.389 43.723 1.00 0.22 H new ATOM 0 HA GLU A 32 -6.267 3.795 41.376 1.00 0.21 H new ATOM 0 HB2 GLU A 32 -7.625 3.056 43.435 1.00 0.25 H new ATOM 0 HB3 GLU A 32 -6.851 4.332 44.354 1.00 0.25 H new ATOM 0 HG2 GLU A 32 -7.731 6.017 42.662 1.00 0.27 H new ATOM 0 HG3 GLU A 32 -8.590 4.716 41.863 1.00 0.27 H new ATOM 516 N LYS A 33 -5.526 6.171 41.420 1.00 0.19 N ATOM 517 CA LYS A 33 -4.924 7.541 41.360 1.00 0.20 C ATOM 518 C LYS A 33 -3.448 7.479 40.950 1.00 0.18 C ATOM 519 O LYS A 33 -2.833 8.492 40.683 1.00 0.21 O ATOM 520 CB LYS A 33 -5.064 8.119 42.773 1.00 0.23 C ATOM 521 CG LYS A 33 -4.888 9.638 42.719 1.00 0.29 C ATOM 522 CD LYS A 33 -4.967 10.212 44.136 1.00 0.87 C ATOM 523 CE LYS A 33 -4.940 11.741 44.069 1.00 1.35 C ATOM 524 NZ LYS A 33 -4.594 12.179 45.450 1.00 1.88 N ATOM 0 H LYS A 33 -6.152 5.948 40.646 1.00 0.19 H new ATOM 0 HA LYS A 33 -5.427 8.160 40.617 1.00 0.20 H new ATOM 0 HB2 LYS A 33 -6.042 7.869 43.185 1.00 0.23 H new ATOM 0 HB3 LYS A 33 -4.318 7.678 43.434 1.00 0.23 H new ATOM 0 HG2 LYS A 33 -3.928 9.888 42.267 1.00 0.29 H new ATOM 0 HG3 LYS A 33 -5.661 10.082 42.092 1.00 0.29 H new ATOM 0 HD2 LYS A 33 -5.880 9.875 44.626 1.00 0.87 H new ATOM 0 HD3 LYS A 33 -4.131 9.849 44.734 1.00 0.87 H new ATOM 0 HE2 LYS A 33 -4.203 12.092 43.347 1.00 1.35 H new ATOM 0 HE3 LYS A 33 -5.906 12.140 43.758 1.00 1.35 H new ATOM 0 HZ1 LYS A 33 -4.556 13.218 45.486 1.00 1.88 H new ATOM 0 HZ2 LYS A 33 -5.317 11.836 46.114 1.00 1.88 H new ATOM 0 HZ3 LYS A 33 -3.667 11.789 45.716 1.00 1.88 H new ATOM 538 N ASP A 34 -2.901 6.304 40.798 1.00 0.16 N ATOM 539 CA ASP A 34 -1.503 6.205 40.286 1.00 0.16 C ATOM 540 C ASP A 34 -1.481 6.431 38.774 1.00 0.19 C ATOM 541 O ASP A 34 -2.514 6.503 38.136 1.00 0.20 O ATOM 542 CB ASP A 34 -1.050 4.789 40.627 1.00 0.17 C ATOM 543 CG ASP A 34 -0.789 4.691 42.130 1.00 0.18 C ATOM 544 OD1 ASP A 34 -0.838 5.716 42.790 1.00 1.10 O ATOM 545 OD2 ASP A 34 -0.546 3.591 42.593 1.00 1.08 O ATOM 0 H ASP A 34 -3.356 5.415 41.004 1.00 0.16 H new ATOM 0 HA ASP A 34 -0.847 6.954 40.729 1.00 0.16 H new ATOM 0 HB2 ASP A 34 -1.813 4.069 40.331 1.00 0.17 H new ATOM 0 HB3 ASP A 34 -0.145 4.541 40.072 1.00 0.17 H new ATOM 550 N ALA A 35 -0.321 6.596 38.203 1.00 0.22 N ATOM 551 CA ALA A 35 -0.249 6.882 36.741 1.00 0.28 C ATOM 552 C ALA A 35 0.260 5.656 35.976 1.00 0.20 C ATOM 553 O ALA A 35 1.305 5.114 36.274 1.00 0.16 O ATOM 554 CB ALA A 35 0.740 8.042 36.615 1.00 0.36 C ATOM 0 H ALA A 35 0.578 6.546 38.682 1.00 0.22 H new ATOM 0 HA ALA A 35 -1.225 7.127 36.323 1.00 0.28 H new ATOM 0 HB1 ALA A 35 0.850 8.314 35.565 1.00 0.36 H new ATOM 0 HB2 ALA A 35 0.368 8.900 37.175 1.00 0.36 H new ATOM 0 HB3 ALA A 35 1.708 7.740 37.014 1.00 0.36 H new ATOM 560 N LEU A 36 -0.424 5.283 34.928 1.00 0.24 N ATOM 561 CA LEU A 36 0.066 4.169 34.065 1.00 0.21 C ATOM 562 C LEU A 36 0.587 4.744 32.748 1.00 0.20 C ATOM 563 O LEU A 36 -0.043 5.598 32.160 1.00 0.23 O ATOM 564 CB LEU A 36 -1.163 3.301 33.793 1.00 0.34 C ATOM 565 CG LEU A 36 -1.905 3.012 35.095 1.00 0.45 C ATOM 566 CD1 LEU A 36 -3.354 2.647 34.771 1.00 0.55 C ATOM 567 CD2 LEU A 36 -1.236 1.839 35.815 1.00 0.56 C ATOM 0 H LEU A 36 -1.305 5.703 34.631 1.00 0.24 H new ATOM 0 HA LEU A 36 0.871 3.604 34.534 1.00 0.21 H new ATOM 0 HB2 LEU A 36 -1.827 3.808 33.093 1.00 0.34 H new ATOM 0 HB3 LEU A 36 -0.859 2.365 33.324 1.00 0.34 H new ATOM 0 HG LEU A 36 -1.879 3.893 35.737 1.00 0.45 H new ATOM 0 HD11 LEU A 36 -3.892 2.439 35.696 1.00 0.55 H new ATOM 0 HD12 LEU A 36 -3.831 3.479 34.253 1.00 0.55 H new ATOM 0 HD13 LEU A 36 -3.373 1.763 34.133 1.00 0.55 H new ATOM 0 HD21 LEU A 36 -1.766 1.633 36.745 1.00 0.56 H new ATOM 0 HD22 LEU A 36 -1.266 0.956 35.177 1.00 0.56 H new ATOM 0 HD23 LEU A 36 -0.199 2.092 36.037 1.00 0.56 H new ATOM 579 N GLU A 37 1.649 4.211 32.212 1.00 0.19 N ATOM 580 CA GLU A 37 2.088 4.673 30.866 1.00 0.21 C ATOM 581 C GLU A 37 1.720 3.624 29.815 1.00 0.19 C ATOM 582 O GLU A 37 1.757 2.436 30.071 1.00 0.20 O ATOM 583 CB GLU A 37 3.604 4.844 30.967 1.00 0.25 C ATOM 584 CG GLU A 37 4.132 5.482 29.681 1.00 0.26 C ATOM 585 CD GLU A 37 5.655 5.606 29.759 1.00 0.37 C ATOM 586 OE1 GLU A 37 6.214 5.185 30.759 1.00 1.17 O ATOM 587 OE2 GLU A 37 6.237 6.121 28.819 1.00 1.08 O ATOM 0 H GLU A 37 2.225 3.486 32.640 1.00 0.19 H new ATOM 0 HA GLU A 37 1.607 5.605 30.568 1.00 0.21 H new ATOM 0 HB2 GLU A 37 3.854 5.469 31.825 1.00 0.25 H new ATOM 0 HB3 GLU A 37 4.080 3.877 31.128 1.00 0.25 H new ATOM 0 HG2 GLU A 37 3.850 4.876 28.820 1.00 0.26 H new ATOM 0 HG3 GLU A 37 3.683 6.465 29.540 1.00 0.26 H new ATOM 594 N ILE A 38 1.228 4.062 28.692 1.00 0.21 N ATOM 595 CA ILE A 38 0.693 3.109 27.682 1.00 0.20 C ATOM 596 C ILE A 38 1.621 3.032 26.471 1.00 0.20 C ATOM 597 O ILE A 38 2.068 4.038 25.945 1.00 0.24 O ATOM 598 CB ILE A 38 -0.666 3.683 27.277 1.00 0.26 C ATOM 599 CG1 ILE A 38 -1.543 3.839 28.521 1.00 0.80 C ATOM 600 CG2 ILE A 38 -1.348 2.736 26.288 1.00 0.73 C ATOM 601 CD1 ILE A 38 -2.852 4.531 28.140 1.00 0.84 C ATOM 0 H ILE A 38 1.173 5.046 28.428 1.00 0.21 H new ATOM 0 HA ILE A 38 0.611 2.097 28.079 1.00 0.20 H new ATOM 0 HB ILE A 38 -0.523 4.656 26.807 1.00 0.26 H new ATOM 0 HG12 ILE A 38 -1.750 2.862 28.958 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.018 4.422 29.278 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -2.316 3.146 26.000 1.00 0.73 H new ATOM 0 HG22 ILE A 38 -0.723 2.624 25.402 1.00 0.73 H new ATOM 0 HG23 ILE A 38 -1.491 1.762 26.756 1.00 0.73 H new ATOM 0 HD11 ILE A 38 -3.476 4.642 29.027 1.00 0.84 H new ATOM 0 HD12 ILE A 38 -2.636 5.515 27.723 1.00 0.84 H new ATOM 0 HD13 ILE A 38 -3.379 3.930 27.398 1.00 0.84 H new ATOM 613 N TYR A 39 1.923 1.836 26.050 1.00 0.19 N ATOM 614 CA TYR A 39 2.840 1.629 24.895 1.00 0.21 C ATOM 615 C TYR A 39 2.119 0.848 23.791 1.00 0.20 C ATOM 616 O TYR A 39 1.237 0.059 24.060 1.00 0.20 O ATOM 617 CB TYR A 39 3.976 0.783 25.465 1.00 0.24 C ATOM 618 CG TYR A 39 4.927 1.636 26.256 1.00 0.28 C ATOM 619 CD1 TYR A 39 4.526 2.205 27.470 1.00 0.32 C ATOM 620 CD2 TYR A 39 6.219 1.835 25.780 1.00 0.31 C ATOM 621 CE1 TYR A 39 5.426 2.983 28.207 1.00 0.37 C ATOM 622 CE2 TYR A 39 7.122 2.612 26.511 1.00 0.36 C ATOM 623 CZ TYR A 39 6.726 3.189 27.725 1.00 0.39 C ATOM 624 OH TYR A 39 7.615 3.960 28.445 1.00 0.45 O ATOM 0 H TYR A 39 1.566 0.976 26.466 1.00 0.19 H new ATOM 0 HA TYR A 39 3.187 2.567 24.461 1.00 0.21 H new ATOM 0 HB2 TYR A 39 3.568 -0.002 26.102 1.00 0.24 H new ATOM 0 HB3 TYR A 39 4.511 0.289 24.654 1.00 0.24 H new ATOM 0 HD1 TYR A 39 3.523 2.044 27.838 1.00 0.32 H new ATOM 0 HD2 TYR A 39 6.524 1.389 24.845 1.00 0.31 H new ATOM 0 HE1 TYR A 39 5.120 3.423 29.144 1.00 0.37 H new ATOM 0 HE2 TYR A 39 8.124 2.768 26.140 1.00 0.36 H new ATOM 0 HH TYR A 39 7.384 4.907 28.343 1.00 0.45 H new ATOM 634 N VAL A 40 2.568 0.958 22.571 1.00 0.21 N ATOM 635 CA VAL A 40 1.986 0.102 21.495 1.00 0.22 C ATOM 636 C VAL A 40 3.094 -0.563 20.673 1.00 0.22 C ATOM 637 O VAL A 40 3.968 0.096 20.144 1.00 0.23 O ATOM 638 CB VAL A 40 1.171 1.056 20.622 1.00 0.25 C ATOM 639 CG1 VAL A 40 0.648 0.303 19.398 1.00 0.27 C ATOM 640 CG2 VAL A 40 -0.010 1.594 21.431 1.00 0.27 C ATOM 0 H VAL A 40 3.305 1.597 22.273 1.00 0.21 H new ATOM 0 HA VAL A 40 1.374 -0.703 21.903 1.00 0.22 H new ATOM 0 HB VAL A 40 1.801 1.884 20.297 1.00 0.25 H new ATOM 0 HG11 VAL A 40 0.066 0.982 18.774 1.00 0.27 H new ATOM 0 HG12 VAL A 40 1.489 -0.087 18.824 1.00 0.27 H new ATOM 0 HG13 VAL A 40 0.016 -0.523 19.722 1.00 0.27 H new ATOM 0 HG21 VAL A 40 -0.595 2.275 20.813 1.00 0.27 H new ATOM 0 HG22 VAL A 40 -0.640 0.764 21.752 1.00 0.27 H new ATOM 0 HG23 VAL A 40 0.361 2.127 22.306 1.00 0.27 H new ATOM 650 N ASP A 41 3.057 -1.863 20.549 1.00 0.21 N ATOM 651 CA ASP A 41 4.099 -2.565 19.744 1.00 0.22 C ATOM 652 C ASP A 41 3.513 -3.810 19.064 1.00 0.25 C ATOM 653 O ASP A 41 2.813 -4.587 19.677 1.00 0.27 O ATOM 654 CB ASP A 41 5.176 -2.962 20.753 1.00 0.20 C ATOM 655 CG ASP A 41 4.598 -3.957 21.760 1.00 1.01 C ATOM 656 OD1 ASP A 41 3.385 -4.037 21.854 1.00 1.69 O ATOM 657 OD2 ASP A 41 5.379 -4.622 22.421 1.00 1.77 O ATOM 0 H ASP A 41 2.352 -2.468 20.969 1.00 0.21 H new ATOM 0 HA ASP A 41 4.494 -1.933 18.948 1.00 0.22 H new ATOM 0 HB2 ASP A 41 6.026 -3.406 20.236 1.00 0.20 H new ATOM 0 HB3 ASP A 41 5.545 -2.078 21.272 1.00 0.20 H new ATOM 662 N ASP A 42 3.903 -4.073 17.848 1.00 0.27 N ATOM 663 CA ASP A 42 3.490 -5.344 17.182 1.00 0.33 C ATOM 664 C ASP A 42 2.007 -5.652 17.431 1.00 0.33 C ATOM 665 O ASP A 42 1.638 -6.779 17.694 1.00 0.37 O ATOM 666 CB ASP A 42 4.374 -6.414 17.817 1.00 0.38 C ATOM 667 CG ASP A 42 4.008 -7.786 17.249 1.00 0.45 C ATOM 668 OD1 ASP A 42 3.213 -7.829 16.325 1.00 1.22 O ATOM 669 OD2 ASP A 42 4.530 -8.770 17.745 1.00 1.14 O ATOM 0 H ASP A 42 4.492 -3.461 17.283 1.00 0.27 H new ATOM 0 HA ASP A 42 3.607 -5.291 16.100 1.00 0.33 H new ATOM 0 HB2 ASP A 42 5.424 -6.196 17.621 1.00 0.38 H new ATOM 0 HB3 ASP A 42 4.245 -6.411 18.899 1.00 0.38 H new ATOM 674 N GLU A 43 1.148 -4.681 17.266 1.00 0.30 N ATOM 675 CA GLU A 43 -0.320 -4.944 17.395 1.00 0.31 C ATOM 676 C GLU A 43 -0.660 -5.439 18.805 1.00 0.30 C ATOM 677 O GLU A 43 -1.780 -5.812 19.089 1.00 0.31 O ATOM 678 CB GLU A 43 -0.626 -6.028 16.358 1.00 0.35 C ATOM 679 CG GLU A 43 -2.139 -6.233 16.263 1.00 1.17 C ATOM 680 CD GLU A 43 -2.439 -7.381 15.299 1.00 1.34 C ATOM 681 OE1 GLU A 43 -1.495 -7.959 14.784 1.00 1.68 O ATOM 682 OE2 GLU A 43 -3.608 -7.665 15.091 1.00 1.93 O ATOM 0 H GLU A 43 1.397 -3.716 17.047 1.00 0.30 H new ATOM 0 HA GLU A 43 -0.909 -4.042 17.230 1.00 0.31 H new ATOM 0 HB2 GLU A 43 -0.226 -5.739 15.386 1.00 0.35 H new ATOM 0 HB3 GLU A 43 -0.139 -6.962 16.638 1.00 0.35 H new ATOM 0 HG2 GLU A 43 -2.549 -6.455 17.248 1.00 1.17 H new ATOM 0 HG3 GLU A 43 -2.620 -5.318 15.916 1.00 1.17 H new ATOM 689 N LYS A 44 0.271 -5.352 19.711 1.00 0.29 N ATOM 690 CA LYS A 44 -0.027 -5.715 21.126 1.00 0.30 C ATOM 691 C LYS A 44 0.004 -4.462 22.002 1.00 0.27 C ATOM 692 O LYS A 44 0.736 -3.530 21.740 1.00 0.26 O ATOM 693 CB LYS A 44 1.085 -6.678 21.544 1.00 0.34 C ATOM 694 CG LYS A 44 0.916 -8.013 20.818 1.00 1.29 C ATOM 695 CD LYS A 44 1.940 -9.013 21.356 1.00 1.23 C ATOM 696 CE LYS A 44 1.761 -10.360 20.654 1.00 1.90 C ATOM 697 NZ LYS A 44 2.859 -10.422 19.650 1.00 2.01 N ATOM 0 H LYS A 44 1.227 -5.045 19.534 1.00 0.29 H new ATOM 0 HA LYS A 44 -1.013 -6.166 21.233 1.00 0.30 H new ATOM 0 HB2 LYS A 44 2.058 -6.247 21.310 1.00 0.34 H new ATOM 0 HB3 LYS A 44 1.057 -6.834 22.622 1.00 0.34 H new ATOM 0 HG2 LYS A 44 -0.094 -8.395 20.965 1.00 1.29 H new ATOM 0 HG3 LYS A 44 1.052 -7.877 19.745 1.00 1.29 H new ATOM 0 HD2 LYS A 44 2.950 -8.638 21.192 1.00 1.23 H new ATOM 0 HD3 LYS A 44 1.815 -9.133 22.432 1.00 1.23 H new ATOM 0 HE2 LYS A 44 1.827 -11.186 21.362 1.00 1.90 H new ATOM 0 HE3 LYS A 44 0.784 -10.428 20.175 1.00 1.90 H new ATOM 0 HZ1 LYS A 44 2.584 -11.058 18.874 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 3.037 -9.470 19.271 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 3.723 -10.782 20.103 1.00 2.01 H new ATOM 711 N ILE A 45 -0.751 -4.452 23.063 1.00 0.28 N ATOM 712 CA ILE A 45 -0.723 -3.280 23.980 1.00 0.27 C ATOM 713 C ILE A 45 0.293 -3.522 25.099 1.00 0.27 C ATOM 714 O ILE A 45 0.253 -4.530 25.779 1.00 0.29 O ATOM 715 CB ILE A 45 -2.138 -3.197 24.548 1.00 0.30 C ATOM 716 CG1 ILE A 45 -3.140 -3.091 23.398 1.00 0.34 C ATOM 717 CG2 ILE A 45 -2.257 -1.962 25.442 1.00 0.29 C ATOM 718 CD1 ILE A 45 -4.555 -3.297 23.935 1.00 1.25 C ATOM 0 H ILE A 45 -1.385 -5.203 23.335 1.00 0.28 H new ATOM 0 HA ILE A 45 -0.432 -2.358 23.476 1.00 0.27 H new ATOM 0 HB ILE A 45 -2.348 -4.091 25.135 1.00 0.30 H new ATOM 0 HG12 ILE A 45 -3.059 -2.115 22.920 1.00 0.34 H new ATOM 0 HG13 ILE A 45 -2.916 -3.838 22.636 1.00 0.34 H new ATOM 0 HG21 ILE A 45 -3.267 -1.902 25.848 1.00 0.29 H new ATOM 0 HG22 ILE A 45 -1.541 -2.035 26.261 1.00 0.29 H new ATOM 0 HG23 ILE A 45 -2.048 -1.067 24.856 1.00 0.29 H new ATOM 0 HD11 ILE A 45 -5.270 -3.221 23.116 1.00 1.25 H new ATOM 0 HD12 ILE A 45 -4.630 -4.283 24.393 1.00 1.25 H new ATOM 0 HD13 ILE A 45 -4.776 -2.533 24.681 1.00 1.25 H new ATOM 730 N ILE A 46 1.184 -2.593 25.308 1.00 0.26 N ATOM 731 CA ILE A 46 2.193 -2.739 26.396 1.00 0.29 C ATOM 732 C ILE A 46 1.919 -1.716 27.502 1.00 0.29 C ATOM 733 O ILE A 46 1.954 -0.527 27.280 1.00 0.31 O ATOM 734 CB ILE A 46 3.544 -2.466 25.720 1.00 0.32 C ATOM 735 CG1 ILE A 46 3.791 -3.522 24.642 1.00 0.44 C ATOM 736 CG2 ILE A 46 4.671 -2.510 26.756 1.00 0.37 C ATOM 737 CD1 ILE A 46 3.535 -4.911 25.223 1.00 0.50 C ATOM 0 H ILE A 46 1.257 -1.731 24.767 1.00 0.26 H new ATOM 0 HA ILE A 46 2.168 -3.724 26.863 1.00 0.29 H new ATOM 0 HB ILE A 46 3.525 -1.476 25.265 1.00 0.32 H new ATOM 0 HG12 ILE A 46 3.136 -3.346 23.789 1.00 0.44 H new ATOM 0 HG13 ILE A 46 4.816 -3.452 24.277 1.00 0.44 H new ATOM 0 HG21 ILE A 46 5.624 -2.315 26.265 1.00 0.37 H new ATOM 0 HG22 ILE A 46 4.494 -1.752 27.519 1.00 0.37 H new ATOM 0 HG23 ILE A 46 4.698 -3.495 27.223 1.00 0.37 H new ATOM 0 HD11 ILE A 46 3.711 -5.665 24.455 1.00 0.50 H new ATOM 0 HD12 ILE A 46 4.209 -5.084 26.062 1.00 0.50 H new ATOM 0 HD13 ILE A 46 2.503 -4.977 25.567 1.00 0.50 H new ATOM 749 N LEU A 47 1.636 -2.166 28.692 1.00 0.28 N ATOM 750 CA LEU A 47 1.357 -1.203 29.798 1.00 0.29 C ATOM 751 C LEU A 47 2.374 -1.385 30.924 1.00 0.31 C ATOM 752 O LEU A 47 2.664 -2.491 31.335 1.00 0.39 O ATOM 753 CB LEU A 47 -0.046 -1.550 30.290 1.00 0.34 C ATOM 754 CG LEU A 47 -1.027 -1.513 29.115 1.00 0.90 C ATOM 755 CD1 LEU A 47 -0.928 -2.817 28.323 1.00 1.66 C ATOM 756 CD2 LEU A 47 -2.451 -1.348 29.647 1.00 1.24 C ATOM 0 H LEU A 47 1.585 -3.152 28.948 1.00 0.28 H new ATOM 0 HA LEU A 47 1.427 -0.167 29.466 1.00 0.29 H new ATOM 0 HB2 LEU A 47 -0.048 -2.540 30.747 1.00 0.34 H new ATOM 0 HB3 LEU A 47 -0.358 -0.843 31.059 1.00 0.34 H new ATOM 0 HG LEU A 47 -0.781 -0.674 28.464 1.00 0.90 H new ATOM 0 HD11 LEU A 47 -1.627 -2.789 27.487 1.00 1.66 H new ATOM 0 HD12 LEU A 47 0.087 -2.936 27.944 1.00 1.66 H new ATOM 0 HD13 LEU A 47 -1.173 -3.657 28.973 1.00 1.66 H new ATOM 0 HD21 LEU A 47 -3.151 -1.321 28.812 1.00 1.24 H new ATOM 0 HD22 LEU A 47 -2.695 -2.187 30.299 1.00 1.24 H new ATOM 0 HD23 LEU A 47 -2.523 -0.418 30.211 1.00 1.24 H new ATOM 768 N LYS A 48 2.916 -0.312 31.427 1.00 0.29 N ATOM 769 CA LYS A 48 3.914 -0.434 32.528 1.00 0.35 C ATOM 770 C LYS A 48 3.751 0.713 33.526 1.00 0.28 C ATOM 771 O LYS A 48 3.162 1.731 33.223 1.00 0.25 O ATOM 772 CB LYS A 48 5.281 -0.363 31.846 1.00 0.47 C ATOM 773 CG LYS A 48 5.502 1.032 31.253 1.00 0.65 C ATOM 774 CD LYS A 48 6.866 1.072 30.564 1.00 0.85 C ATOM 775 CE LYS A 48 7.388 2.510 30.546 1.00 1.54 C ATOM 776 NZ LYS A 48 7.765 2.799 31.957 1.00 1.74 N ATOM 0 H LYS A 48 2.713 0.641 31.126 1.00 0.29 H new ATOM 0 HA LYS A 48 3.790 -1.360 33.089 1.00 0.35 H new ATOM 0 HB2 LYS A 48 6.067 -0.589 32.566 1.00 0.47 H new ATOM 0 HB3 LYS A 48 5.343 -1.115 31.059 1.00 0.47 H new ATOM 0 HG2 LYS A 48 4.713 1.266 30.539 1.00 0.65 H new ATOM 0 HG3 LYS A 48 5.455 1.786 32.038 1.00 0.65 H new ATOM 0 HD2 LYS A 48 7.569 0.425 31.089 1.00 0.85 H new ATOM 0 HD3 LYS A 48 6.782 0.692 29.546 1.00 0.85 H new ATOM 0 HE2 LYS A 48 8.245 2.611 29.880 1.00 1.54 H new ATOM 0 HE3 LYS A 48 6.625 3.203 30.191 1.00 1.54 H new ATOM 0 HZ1 LYS A 48 8.571 3.457 31.973 1.00 1.74 H new ATOM 0 HZ2 LYS A 48 6.957 3.229 32.451 1.00 1.74 H new ATOM 0 HZ3 LYS A 48 8.031 1.914 32.434 1.00 1.74 H new ATOM 790 N LYS A 49 4.306 0.576 34.699 1.00 0.28 N ATOM 791 CA LYS A 49 4.219 1.685 35.691 1.00 0.25 C ATOM 792 C LYS A 49 4.830 2.956 35.106 1.00 0.22 C ATOM 793 O LYS A 49 5.713 2.907 34.274 1.00 0.24 O ATOM 794 CB LYS A 49 5.025 1.210 36.898 1.00 0.29 C ATOM 795 CG LYS A 49 4.916 2.238 38.025 1.00 0.30 C ATOM 796 CD LYS A 49 5.772 1.790 39.210 1.00 0.54 C ATOM 797 CE LYS A 49 5.535 2.729 40.395 1.00 1.08 C ATOM 798 NZ LYS A 49 6.666 3.698 40.351 1.00 1.65 N ATOM 0 H LYS A 49 4.814 -0.251 35.012 1.00 0.28 H new ATOM 0 HA LYS A 49 3.189 1.918 35.961 1.00 0.25 H new ATOM 0 HB2 LYS A 49 4.654 0.243 37.237 1.00 0.29 H new ATOM 0 HB3 LYS A 49 6.069 1.071 36.619 1.00 0.29 H new ATOM 0 HG2 LYS A 49 5.247 3.215 37.673 1.00 0.30 H new ATOM 0 HG3 LYS A 49 3.876 2.345 38.334 1.00 0.30 H new ATOM 0 HD2 LYS A 49 5.520 0.766 39.488 1.00 0.54 H new ATOM 0 HD3 LYS A 49 6.826 1.795 38.933 1.00 0.54 H new ATOM 0 HE2 LYS A 49 4.575 3.238 40.309 1.00 1.08 H new ATOM 0 HE3 LYS A 49 5.522 2.180 41.337 1.00 1.08 H new ATOM 0 HZ1 LYS A 49 6.573 4.376 41.134 1.00 1.65 H new ATOM 0 HZ2 LYS A 49 7.566 3.185 40.442 1.00 1.65 H new ATOM 0 HZ3 LYS A 49 6.649 4.210 39.446 1.00 1.65 H new ATOM 812 N TYR A 50 4.311 4.089 35.476 1.00 0.20 N ATOM 813 CA TYR A 50 4.801 5.360 34.872 1.00 0.21 C ATOM 814 C TYR A 50 5.752 6.081 35.828 1.00 0.22 C ATOM 815 O TYR A 50 5.349 6.583 36.859 1.00 0.22 O ATOM 816 CB TYR A 50 3.542 6.193 34.640 1.00 0.20 C ATOM 817 CG TYR A 50 3.924 7.532 34.058 1.00 0.23 C ATOM 818 CD1 TYR A 50 4.886 7.608 33.046 1.00 0.26 C ATOM 819 CD2 TYR A 50 3.317 8.699 34.534 1.00 0.24 C ATOM 820 CE1 TYR A 50 5.241 8.851 32.509 1.00 0.30 C ATOM 821 CE2 TYR A 50 3.670 9.943 33.999 1.00 0.28 C ATOM 822 CZ TYR A 50 4.633 10.019 32.986 1.00 0.30 C ATOM 823 OH TYR A 50 4.983 11.244 32.457 1.00 0.35 O ATOM 0 H TYR A 50 3.570 4.193 36.169 1.00 0.20 H new ATOM 0 HA TYR A 50 5.358 5.188 33.951 1.00 0.21 H new ATOM 0 HB2 TYR A 50 2.867 5.670 33.963 1.00 0.20 H new ATOM 0 HB3 TYR A 50 3.007 6.332 35.579 1.00 0.20 H new ATOM 0 HD1 TYR A 50 5.355 6.707 32.679 1.00 0.26 H new ATOM 0 HD2 TYR A 50 2.574 8.640 35.316 1.00 0.24 H new ATOM 0 HE1 TYR A 50 5.984 8.909 31.727 1.00 0.30 H new ATOM 0 HE2 TYR A 50 3.200 10.843 34.367 1.00 0.28 H new ATOM 0 HH TYR A 50 4.467 11.950 32.898 1.00 0.35 H new ATOM 995 N VAL B 9 0.297 8.506 29.188 1.00 0.32 N ATOM 996 CA VAL B 9 -0.121 7.914 30.493 1.00 0.29 C ATOM 997 C VAL B 9 -1.575 8.268 30.823 1.00 0.32 C ATOM 998 O VAL B 9 -2.033 9.367 30.582 1.00 0.37 O ATOM 999 CB VAL B 9 0.831 8.520 31.524 1.00 0.30 C ATOM 1000 CG1 VAL B 9 0.478 7.993 32.917 1.00 0.27 C ATOM 1001 CG2 VAL B 9 2.269 8.122 31.182 1.00 0.30 C ATOM 0 HA VAL B 9 -0.072 6.825 30.476 1.00 0.29 H new ATOM 0 HB VAL B 9 0.738 9.606 31.511 1.00 0.30 H new ATOM 0 HG11 VAL B 9 1.157 8.425 33.652 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -0.547 8.271 33.162 1.00 0.27 H new ATOM 0 HG13 VAL B 9 0.573 6.907 32.930 1.00 0.27 H new ATOM 0 HG21 VAL B 9 2.950 8.553 31.916 1.00 0.30 H new ATOM 0 HG22 VAL B 9 2.359 7.036 31.197 1.00 0.30 H new ATOM 0 HG23 VAL B 9 2.523 8.493 30.189 1.00 0.30 H new ATOM 1011 N ARG B 10 -2.283 7.348 31.421 1.00 0.31 N ATOM 1012 CA ARG B 10 -3.692 7.618 31.830 1.00 0.36 C ATOM 1013 C ARG B 10 -3.838 7.425 33.342 1.00 0.31 C ATOM 1014 O ARG B 10 -3.005 6.815 33.981 1.00 0.28 O ATOM 1015 CB ARG B 10 -4.530 6.588 31.073 1.00 0.40 C ATOM 1016 CG ARG B 10 -6.016 6.850 31.329 1.00 0.74 C ATOM 1017 CD ARG B 10 -6.446 8.118 30.585 1.00 0.87 C ATOM 1018 NE ARG B 10 -7.875 8.312 30.957 1.00 1.14 N ATOM 1019 CZ ARG B 10 -8.801 7.561 30.423 1.00 1.37 C ATOM 1020 NH1 ARG B 10 -8.478 6.634 29.561 1.00 1.62 N ATOM 1021 NH2 ARG B 10 -10.052 7.737 30.753 1.00 1.92 N ATOM 0 H ARG B 10 -1.943 6.413 31.646 1.00 0.31 H new ATOM 0 HA ARG B 10 -4.005 8.637 31.603 1.00 0.36 H new ATOM 0 HB2 ARG B 10 -4.319 6.646 30.005 1.00 0.40 H new ATOM 0 HB3 ARG B 10 -4.267 5.581 31.396 1.00 0.40 H new ATOM 0 HG2 ARG B 10 -6.609 6.000 30.993 1.00 0.74 H new ATOM 0 HG3 ARG B 10 -6.198 6.963 32.398 1.00 0.74 H new ATOM 0 HD2 ARG B 10 -5.841 8.975 30.881 1.00 0.87 H new ATOM 0 HD3 ARG B 10 -6.330 8.003 29.507 1.00 0.87 H new ATOM 0 HE ARG B 10 -8.131 9.034 31.631 1.00 1.14 H new ATOM 0 HH11 ARG B 10 -7.501 6.495 29.303 1.00 1.62 H new ATOM 0 HH12 ARG B 10 -9.203 6.049 29.146 1.00 1.62 H new ATOM 0 HH21 ARG B 10 -10.305 8.460 31.427 1.00 1.92 H new ATOM 0 HH22 ARG B 10 -10.776 7.152 30.337 1.00 1.92 H new ATOM 1035 N LYS B 11 -4.875 7.962 33.925 1.00 0.33 N ATOM 1036 CA LYS B 11 -5.051 7.831 35.401 1.00 0.30 C ATOM 1037 C LYS B 11 -5.696 6.483 35.744 1.00 0.26 C ATOM 1038 O LYS B 11 -6.569 6.006 35.045 1.00 0.28 O ATOM 1039 CB LYS B 11 -5.979 8.981 35.791 1.00 0.34 C ATOM 1040 CG LYS B 11 -5.958 9.167 37.310 1.00 1.03 C ATOM 1041 CD LYS B 11 -4.674 9.894 37.716 1.00 1.03 C ATOM 1042 CE LYS B 11 -4.768 10.318 39.182 1.00 1.81 C ATOM 1043 NZ LYS B 11 -5.027 11.785 39.141 1.00 2.21 N ATOM 0 H LYS B 11 -5.607 8.485 33.445 1.00 0.33 H new ATOM 0 HA LYS B 11 -4.101 7.872 35.934 1.00 0.30 H new ATOM 0 HB2 LYS B 11 -5.662 9.900 35.298 1.00 0.34 H new ATOM 0 HB3 LYS B 11 -6.994 8.772 35.454 1.00 0.34 H new ATOM 0 HG2 LYS B 11 -6.829 9.739 37.629 1.00 1.03 H new ATOM 0 HG3 LYS B 11 -6.013 8.198 37.807 1.00 1.03 H new ATOM 0 HD2 LYS B 11 -3.813 9.242 37.570 1.00 1.03 H new ATOM 0 HD3 LYS B 11 -4.523 10.768 37.083 1.00 1.03 H new ATOM 0 HE2 LYS B 11 -5.571 9.789 39.695 1.00 1.81 H new ATOM 0 HE3 LYS B 11 -3.846 10.094 39.718 1.00 1.81 H new ATOM 0 HZ1 LYS B 11 -5.104 12.151 40.111 1.00 2.21 H new ATOM 0 HZ2 LYS B 11 -4.243 12.262 38.652 1.00 2.21 H new ATOM 0 HZ3 LYS B 11 -5.915 11.967 38.631 1.00 2.21 H new ATOM 1057 N VAL B 12 -5.279 5.870 36.821 1.00 0.23 N ATOM 1058 CA VAL B 12 -5.878 4.560 37.215 1.00 0.22 C ATOM 1059 C VAL B 12 -7.181 4.794 37.981 1.00 0.20 C ATOM 1060 O VAL B 12 -7.227 5.573 38.911 1.00 0.20 O ATOM 1061 CB VAL B 12 -4.847 3.907 38.139 1.00 0.21 C ATOM 1062 CG1 VAL B 12 -5.207 2.435 38.345 1.00 0.29 C ATOM 1063 CG2 VAL B 12 -3.451 4.007 37.520 1.00 0.29 C ATOM 0 H VAL B 12 -4.551 6.219 37.444 1.00 0.23 H new ATOM 0 HA VAL B 12 -6.107 3.938 36.349 1.00 0.22 H new ATOM 0 HB VAL B 12 -4.851 4.424 39.099 1.00 0.21 H new ATOM 0 HG11 VAL B 12 -4.473 1.970 39.003 1.00 0.29 H new ATOM 0 HG12 VAL B 12 -6.197 2.362 38.796 1.00 0.29 H new ATOM 0 HG13 VAL B 12 -5.208 1.923 37.383 1.00 0.29 H new ATOM 0 HG21 VAL B 12 -2.724 3.540 38.184 1.00 0.29 H new ATOM 0 HG22 VAL B 12 -3.443 3.497 36.557 1.00 0.29 H new ATOM 0 HG23 VAL B 12 -3.191 5.056 37.377 1.00 0.29 H new ATOM 1073 N ASP B 13 -8.237 4.125 37.609 1.00 0.21 N ATOM 1074 CA ASP B 13 -9.522 4.322 38.337 1.00 0.21 C ATOM 1075 C ASP B 13 -9.563 3.437 39.590 1.00 0.22 C ATOM 1076 O ASP B 13 -8.563 2.881 39.997 1.00 0.23 O ATOM 1077 CB ASP B 13 -10.621 3.943 37.330 1.00 0.22 C ATOM 1078 CG ASP B 13 -10.960 2.454 37.442 1.00 0.32 C ATOM 1079 OD1 ASP B 13 -10.284 1.657 36.816 1.00 0.27 O ATOM 1080 OD2 ASP B 13 -11.894 2.134 38.156 1.00 0.55 O ATOM 0 H ASP B 13 -8.267 3.456 36.839 1.00 0.21 H new ATOM 0 HA ASP B 13 -9.652 5.346 38.687 1.00 0.21 H new ATOM 0 HB2 ASP B 13 -11.514 4.540 37.515 1.00 0.22 H new ATOM 0 HB3 ASP B 13 -10.289 4.171 36.317 1.00 0.22 H new ATOM 1085 N GLU B 14 -10.669 3.425 40.280 1.00 0.23 N ATOM 1086 CA GLU B 14 -10.718 2.726 41.599 1.00 0.26 C ATOM 1087 C GLU B 14 -10.319 1.249 41.472 1.00 0.26 C ATOM 1088 O GLU B 14 -9.728 0.685 42.371 1.00 0.30 O ATOM 1089 CB GLU B 14 -12.174 2.846 42.050 1.00 0.28 C ATOM 1090 CG GLU B 14 -12.521 4.319 42.275 1.00 1.22 C ATOM 1091 CD GLU B 14 -13.957 4.434 42.786 1.00 1.57 C ATOM 1092 OE1 GLU B 14 -14.650 3.430 42.778 1.00 1.99 O ATOM 1093 OE2 GLU B 14 -14.341 5.524 43.177 1.00 2.19 O ATOM 0 H GLU B 14 -11.541 3.868 39.990 1.00 0.23 H new ATOM 0 HA GLU B 14 -10.019 3.166 42.310 1.00 0.26 H new ATOM 0 HB2 GLU B 14 -12.835 2.417 41.297 1.00 0.28 H new ATOM 0 HB3 GLU B 14 -12.328 2.281 42.969 1.00 0.28 H new ATOM 0 HG2 GLU B 14 -11.831 4.760 42.995 1.00 1.22 H new ATOM 0 HG3 GLU B 14 -12.409 4.876 41.345 1.00 1.22 H new ATOM 1100 N LEU B 15 -10.738 0.586 40.429 1.00 0.23 N ATOM 1101 CA LEU B 15 -10.486 -0.885 40.344 1.00 0.25 C ATOM 1102 C LEU B 15 -9.094 -1.186 39.775 1.00 0.23 C ATOM 1103 O LEU B 15 -8.689 -2.327 39.692 1.00 0.25 O ATOM 1104 CB LEU B 15 -11.568 -1.427 39.413 1.00 0.28 C ATOM 1105 CG LEU B 15 -11.299 -2.908 39.138 1.00 0.38 C ATOM 1106 CD1 LEU B 15 -11.028 -3.634 40.459 1.00 1.28 C ATOM 1107 CD2 LEU B 15 -12.522 -3.529 38.459 1.00 1.39 C ATOM 0 H LEU B 15 -11.239 0.992 39.639 1.00 0.23 H new ATOM 0 HA LEU B 15 -10.518 -1.347 41.331 1.00 0.25 H new ATOM 0 HB2 LEU B 15 -12.551 -1.302 39.867 1.00 0.28 H new ATOM 0 HB3 LEU B 15 -11.575 -0.866 38.478 1.00 0.28 H new ATOM 0 HG LEU B 15 -10.430 -3.004 38.486 1.00 0.38 H new ATOM 0 HD11 LEU B 15 -10.837 -4.689 40.262 1.00 1.28 H new ATOM 0 HD12 LEU B 15 -10.158 -3.192 40.945 1.00 1.28 H new ATOM 0 HD13 LEU B 15 -11.896 -3.539 41.111 1.00 1.28 H new ATOM 0 HD21 LEU B 15 -12.332 -4.584 38.262 1.00 1.39 H new ATOM 0 HD22 LEU B 15 -13.389 -3.432 39.112 1.00 1.39 H new ATOM 0 HD23 LEU B 15 -12.717 -3.014 37.518 1.00 1.39 H new ATOM 1119 N GLY B 16 -8.374 -0.192 39.339 1.00 0.21 N ATOM 1120 CA GLY B 16 -7.037 -0.466 38.734 1.00 0.20 C ATOM 1121 C GLY B 16 -7.216 -0.931 37.285 1.00 0.21 C ATOM 1122 O GLY B 16 -6.668 -1.935 36.868 1.00 0.21 O ATOM 0 H GLY B 16 -8.647 0.790 39.373 1.00 0.21 H new ATOM 0 HA2 GLY B 16 -6.421 0.433 38.765 1.00 0.20 H new ATOM 0 HA3 GLY B 16 -6.515 -1.230 39.310 1.00 0.20 H new ATOM 1126 N ARG B 17 -8.018 -0.238 36.527 1.00 0.24 N ATOM 1127 CA ARG B 17 -8.270 -0.667 35.123 1.00 0.27 C ATOM 1128 C ARG B 17 -7.713 0.373 34.149 1.00 0.26 C ATOM 1129 O ARG B 17 -7.572 1.535 34.477 1.00 0.26 O ATOM 1130 CB ARG B 17 -9.792 -0.758 35.005 1.00 0.29 C ATOM 1131 CG ARG B 17 -10.300 -1.909 35.877 1.00 0.29 C ATOM 1132 CD ARG B 17 -11.816 -2.035 35.726 1.00 0.29 C ATOM 1133 NE ARG B 17 -12.369 -0.823 36.389 1.00 0.57 N ATOM 1134 CZ ARG B 17 -13.632 -0.784 36.732 1.00 0.79 C ATOM 1135 NH1 ARG B 17 -14.419 -1.789 36.453 1.00 0.73 N ATOM 1136 NH2 ARG B 17 -14.109 0.259 37.353 1.00 1.14 N ATOM 0 H ARG B 17 -8.510 0.607 36.818 1.00 0.24 H new ATOM 0 HA ARG B 17 -7.788 -1.615 34.884 1.00 0.27 H new ATOM 0 HB2 ARG B 17 -10.249 0.180 35.319 1.00 0.29 H new ATOM 0 HB3 ARG B 17 -10.078 -0.920 33.966 1.00 0.29 H new ATOM 0 HG2 ARG B 17 -9.816 -2.841 35.585 1.00 0.29 H new ATOM 0 HG3 ARG B 17 -10.042 -1.730 36.921 1.00 0.29 H new ATOM 0 HD2 ARG B 17 -12.106 -2.078 34.676 1.00 0.29 H new ATOM 0 HD3 ARG B 17 -12.186 -2.946 36.197 1.00 0.29 H new ATOM 0 HE ARG B 17 -11.764 -0.023 36.576 1.00 0.57 H new ATOM 0 HH11 ARG B 17 -14.050 -2.606 35.967 1.00 0.73 H new ATOM 0 HH12 ARG B 17 -15.403 -1.756 36.721 1.00 0.73 H new ATOM 0 HH21 ARG B 17 -13.498 1.046 37.572 1.00 1.14 H new ATOM 0 HH22 ARG B 17 -15.093 0.288 37.620 1.00 1.14 H new ATOM 1150 N VAL B 18 -7.394 -0.036 32.954 1.00 0.26 N ATOM 1151 CA VAL B 18 -6.844 0.926 31.956 1.00 0.26 C ATOM 1152 C VAL B 18 -7.703 0.908 30.693 1.00 0.24 C ATOM 1153 O VAL B 18 -8.368 -0.064 30.399 1.00 0.25 O ATOM 1154 CB VAL B 18 -5.434 0.420 31.654 1.00 0.26 C ATOM 1155 CG1 VAL B 18 -4.646 0.289 32.958 1.00 0.28 C ATOM 1156 CG2 VAL B 18 -5.520 -0.948 30.972 1.00 0.26 C ATOM 0 H VAL B 18 -7.490 -0.996 32.623 1.00 0.26 H new ATOM 0 HA VAL B 18 -6.835 1.952 32.325 1.00 0.26 H new ATOM 0 HB VAL B 18 -4.929 1.126 30.995 1.00 0.26 H new ATOM 0 HG11 VAL B 18 -3.641 -0.072 32.741 1.00 0.28 H new ATOM 0 HG12 VAL B 18 -4.585 1.262 33.445 1.00 0.28 H new ATOM 0 HG13 VAL B 18 -5.150 -0.417 33.618 1.00 0.28 H new ATOM 0 HG21 VAL B 18 -4.515 -1.311 30.756 1.00 0.26 H new ATOM 0 HG22 VAL B 18 -6.026 -1.653 31.632 1.00 0.26 H new ATOM 0 HG23 VAL B 18 -6.081 -0.856 30.042 1.00 0.26 H new ATOM 1166 N VAL B 19 -7.742 1.995 29.973 1.00 0.23 N ATOM 1167 CA VAL B 19 -8.618 2.054 28.770 1.00 0.22 C ATOM 1168 C VAL B 19 -7.776 2.070 27.495 1.00 0.22 C ATOM 1169 O VAL B 19 -6.842 2.838 27.366 1.00 0.24 O ATOM 1170 CB VAL B 19 -9.396 3.362 28.913 1.00 0.22 C ATOM 1171 CG1 VAL B 19 -10.440 3.461 27.800 1.00 0.23 C ATOM 1172 CG2 VAL B 19 -10.094 3.394 30.274 1.00 0.24 C ATOM 0 H VAL B 19 -7.207 2.842 30.165 1.00 0.23 H new ATOM 0 HA VAL B 19 -9.278 1.189 28.700 1.00 0.22 H new ATOM 0 HB VAL B 19 -8.707 4.204 28.838 1.00 0.22 H new ATOM 0 HG11 VAL B 19 -10.994 4.394 27.903 1.00 0.23 H new ATOM 0 HG12 VAL B 19 -9.942 3.440 26.831 1.00 0.23 H new ATOM 0 HG13 VAL B 19 -11.129 2.620 27.872 1.00 0.23 H new ATOM 0 HG21 VAL B 19 -10.649 4.327 30.376 1.00 0.24 H new ATOM 0 HG22 VAL B 19 -10.782 2.552 30.350 1.00 0.24 H new ATOM 0 HG23 VAL B 19 -9.349 3.326 31.067 1.00 0.24 H new ATOM 1182 N ILE B 20 -8.159 1.300 26.515 1.00 0.22 N ATOM 1183 CA ILE B 20 -7.447 1.354 25.208 1.00 0.24 C ATOM 1184 C ILE B 20 -7.953 2.552 24.398 1.00 0.24 C ATOM 1185 O ILE B 20 -9.140 2.722 24.234 1.00 0.23 O ATOM 1186 CB ILE B 20 -7.805 0.028 24.523 1.00 0.23 C ATOM 1187 CG1 ILE B 20 -6.851 -1.066 25.011 1.00 0.29 C ATOM 1188 CG2 ILE B 20 -7.677 0.166 23.003 1.00 0.25 C ATOM 1189 CD1 ILE B 20 -7.122 -1.358 26.488 1.00 1.38 C ATOM 0 H ILE B 20 -8.933 0.637 26.562 1.00 0.22 H new ATOM 0 HA ILE B 20 -6.369 1.476 25.309 1.00 0.24 H new ATOM 0 HB ILE B 20 -8.833 -0.234 24.772 1.00 0.23 H new ATOM 0 HG12 ILE B 20 -6.986 -1.972 24.420 1.00 0.29 H new ATOM 0 HG13 ILE B 20 -5.817 -0.748 24.876 1.00 0.29 H new ATOM 0 HG21 ILE B 20 -7.934 -0.781 22.529 1.00 0.25 H new ATOM 0 HG22 ILE B 20 -8.354 0.944 22.650 1.00 0.25 H new ATOM 0 HG23 ILE B 20 -6.652 0.434 22.747 1.00 0.25 H new ATOM 0 HD11 ILE B 20 -6.443 -2.137 26.835 1.00 1.38 H new ATOM 0 HD12 ILE B 20 -6.965 -0.452 27.073 1.00 1.38 H new ATOM 0 HD13 ILE B 20 -8.152 -1.694 26.609 1.00 1.38 H new ATOM 1201 N PRO B 21 -7.032 3.330 23.896 1.00 0.28 N ATOM 1202 CA PRO B 21 -7.402 4.503 23.069 1.00 0.30 C ATOM 1203 C PRO B 21 -8.256 4.059 21.877 1.00 0.28 C ATOM 1204 O PRO B 21 -8.064 2.991 21.332 1.00 0.27 O ATOM 1205 CB PRO B 21 -6.062 5.075 22.598 1.00 0.35 C ATOM 1206 CG PRO B 21 -5.028 4.046 22.942 1.00 0.36 C ATOM 1207 CD PRO B 21 -5.586 3.192 24.047 1.00 0.32 C ATOM 0 HA PRO B 21 -7.991 5.238 23.617 1.00 0.30 H new ATOM 0 HB2 PRO B 21 -6.077 5.270 21.526 1.00 0.35 H new ATOM 0 HB3 PRO B 21 -5.848 6.023 23.091 1.00 0.35 H new ATOM 0 HG2 PRO B 21 -4.790 3.437 22.070 1.00 0.36 H new ATOM 0 HG3 PRO B 21 -4.102 4.525 23.259 1.00 0.36 H new ATOM 0 HD2 PRO B 21 -5.271 2.153 23.948 1.00 0.32 H new ATOM 0 HD3 PRO B 21 -5.251 3.535 25.026 1.00 0.32 H new ATOM 1215 N ILE B 22 -9.218 4.850 21.491 1.00 0.30 N ATOM 1216 CA ILE B 22 -10.105 4.439 20.363 1.00 0.30 C ATOM 1217 C ILE B 22 -9.270 4.112 19.124 1.00 0.33 C ATOM 1218 O ILE B 22 -9.602 3.232 18.357 1.00 0.32 O ATOM 1219 CB ILE B 22 -11.002 5.649 20.101 1.00 0.36 C ATOM 1220 CG1 ILE B 22 -12.159 5.237 19.188 1.00 0.41 C ATOM 1221 CG2 ILE B 22 -10.188 6.753 19.424 1.00 0.43 C ATOM 1222 CD1 ILE B 22 -13.030 4.201 19.901 1.00 1.11 C ATOM 0 H ILE B 22 -9.429 5.758 21.904 1.00 0.30 H new ATOM 0 HA ILE B 22 -10.684 3.546 20.599 1.00 0.30 H new ATOM 0 HB ILE B 22 -11.398 6.018 21.047 1.00 0.36 H new ATOM 0 HG12 ILE B 22 -12.756 6.110 18.924 1.00 0.41 H new ATOM 0 HG13 ILE B 22 -11.772 4.823 18.257 1.00 0.41 H new ATOM 0 HG21 ILE B 22 -10.828 7.615 19.238 1.00 0.43 H new ATOM 0 HG22 ILE B 22 -9.363 7.047 20.073 1.00 0.43 H new ATOM 0 HG23 ILE B 22 -9.791 6.385 18.478 1.00 0.43 H new ATOM 0 HD11 ILE B 22 -13.854 3.908 19.250 1.00 1.11 H new ATOM 0 HD12 ILE B 22 -12.429 3.324 20.142 1.00 1.11 H new ATOM 0 HD13 ILE B 22 -13.429 4.631 20.820 1.00 1.11 H new ATOM 1234 N GLU B 23 -8.166 4.780 18.943 1.00 0.36 N ATOM 1235 CA GLU B 23 -7.295 4.461 17.778 1.00 0.40 C ATOM 1236 C GLU B 23 -6.887 2.988 17.824 1.00 0.37 C ATOM 1237 O GLU B 23 -6.805 2.320 16.811 1.00 0.39 O ATOM 1238 CB GLU B 23 -6.069 5.359 17.942 1.00 0.44 C ATOM 1239 CG GLU B 23 -5.150 5.193 16.732 1.00 1.22 C ATOM 1240 CD GLU B 23 -3.865 5.992 16.953 1.00 1.62 C ATOM 1241 OE1 GLU B 23 -3.740 6.598 18.005 1.00 2.00 O ATOM 1242 OE2 GLU B 23 -3.026 5.985 16.067 1.00 2.37 O ATOM 0 H GLU B 23 -7.830 5.529 19.548 1.00 0.36 H new ATOM 0 HA GLU B 23 -7.797 4.628 16.825 1.00 0.40 H new ATOM 0 HB2 GLU B 23 -6.378 6.400 18.037 1.00 0.44 H new ATOM 0 HB3 GLU B 23 -5.535 5.100 18.856 1.00 0.44 H new ATOM 0 HG2 GLU B 23 -4.914 4.139 16.583 1.00 1.22 H new ATOM 0 HG3 GLU B 23 -5.654 5.538 15.829 1.00 1.22 H new ATOM 1249 N LEU B 24 -6.648 2.475 18.999 1.00 0.34 N ATOM 1250 CA LEU B 24 -6.267 1.041 19.132 1.00 0.33 C ATOM 1251 C LEU B 24 -7.509 0.149 19.090 1.00 0.29 C ATOM 1252 O LEU B 24 -7.468 -0.952 18.579 1.00 0.30 O ATOM 1253 CB LEU B 24 -5.568 0.941 20.487 1.00 0.33 C ATOM 1254 CG LEU B 24 -4.273 1.754 20.455 1.00 0.93 C ATOM 1255 CD1 LEU B 24 -3.498 1.534 21.756 1.00 1.41 C ATOM 1256 CD2 LEU B 24 -3.417 1.298 19.271 1.00 1.75 C ATOM 0 H LEU B 24 -6.701 2.990 19.878 1.00 0.34 H new ATOM 0 HA LEU B 24 -5.622 0.709 18.318 1.00 0.33 H new ATOM 0 HB2 LEU B 24 -6.224 1.313 21.275 1.00 0.33 H new ATOM 0 HB3 LEU B 24 -5.350 -0.101 20.719 1.00 0.33 H new ATOM 0 HG LEU B 24 -4.511 2.812 20.349 1.00 0.93 H new ATOM 0 HD11 LEU B 24 -2.575 2.114 21.732 1.00 1.41 H new ATOM 0 HD12 LEU B 24 -4.107 1.855 22.601 1.00 1.41 H new ATOM 0 HD13 LEU B 24 -3.259 0.476 21.863 1.00 1.41 H new ATOM 0 HD21 LEU B 24 -2.493 1.876 19.246 1.00 1.75 H new ATOM 0 HD22 LEU B 24 -3.180 0.240 19.380 1.00 1.75 H new ATOM 0 HD23 LEU B 24 -3.967 1.453 18.343 1.00 1.75 H new ATOM 1268 N ARG B 25 -8.632 0.634 19.550 1.00 0.26 N ATOM 1269 CA ARG B 25 -9.873 -0.183 19.437 1.00 0.23 C ATOM 1270 C ARG B 25 -10.122 -0.522 17.968 1.00 0.26 C ATOM 1271 O ARG B 25 -10.509 -1.622 17.629 1.00 0.25 O ATOM 1272 CB ARG B 25 -11.012 0.697 19.962 1.00 0.22 C ATOM 1273 CG ARG B 25 -10.803 1.027 21.442 1.00 0.21 C ATOM 1274 CD ARG B 25 -12.075 1.689 21.986 1.00 0.22 C ATOM 1275 NE ARG B 25 -11.651 2.412 23.215 1.00 0.23 N ATOM 1276 CZ ARG B 25 -12.404 3.357 23.714 1.00 0.26 C ATOM 1277 NH1 ARG B 25 -13.537 3.665 23.142 1.00 0.30 N ATOM 1278 NH2 ARG B 25 -12.024 3.993 24.789 1.00 0.27 N ATOM 0 H ARG B 25 -8.743 1.546 19.992 1.00 0.26 H new ATOM 0 HA ARG B 25 -9.797 -1.114 19.998 1.00 0.23 H new ATOM 0 HB2 ARG B 25 -11.063 1.619 19.382 1.00 0.22 H new ATOM 0 HB3 ARG B 25 -11.965 0.184 19.830 1.00 0.22 H new ATOM 0 HG2 ARG B 25 -10.581 0.119 22.003 1.00 0.21 H new ATOM 0 HG3 ARG B 25 -9.949 1.694 21.563 1.00 0.21 H new ATOM 0 HD2 ARG B 25 -12.504 2.375 21.255 1.00 0.22 H new ATOM 0 HD3 ARG B 25 -12.839 0.945 22.212 1.00 0.22 H new ATOM 0 HE ARG B 25 -10.771 2.170 23.669 1.00 0.23 H new ATOM 0 HH11 ARG B 25 -13.837 3.168 22.303 1.00 0.30 H new ATOM 0 HH12 ARG B 25 -14.122 4.403 23.534 1.00 0.30 H new ATOM 0 HH21 ARG B 25 -11.141 3.752 25.238 1.00 0.27 H new ATOM 0 HH22 ARG B 25 -12.611 4.731 25.179 1.00 0.27 H new ATOM 1292 N ARG B 26 -9.955 0.436 17.097 1.00 0.29 N ATOM 1293 CA ARG B 26 -10.241 0.190 15.656 1.00 0.33 C ATOM 1294 C ARG B 26 -9.138 -0.667 15.027 1.00 0.35 C ATOM 1295 O ARG B 26 -9.404 -1.658 14.376 1.00 0.35 O ATOM 1296 CB ARG B 26 -10.264 1.580 15.018 1.00 0.37 C ATOM 1297 CG ARG B 26 -11.420 2.393 15.605 1.00 1.07 C ATOM 1298 CD ARG B 26 -11.506 3.746 14.893 1.00 1.25 C ATOM 1299 NE ARG B 26 -12.506 4.527 15.673 1.00 1.86 N ATOM 1300 CZ ARG B 26 -12.899 5.698 15.248 1.00 2.33 C ATOM 1301 NH1 ARG B 26 -12.421 6.189 14.136 1.00 2.42 N ATOM 1302 NH2 ARG B 26 -13.774 6.379 15.936 1.00 3.27 N ATOM 0 H ARG B 26 -9.633 1.377 17.321 1.00 0.29 H new ATOM 0 HA ARG B 26 -11.178 -0.347 15.510 1.00 0.33 H new ATOM 0 HB2 ARG B 26 -9.318 2.090 15.199 1.00 0.37 H new ATOM 0 HB3 ARG B 26 -10.378 1.494 13.937 1.00 0.37 H new ATOM 0 HG2 ARG B 26 -12.357 1.849 15.489 1.00 1.07 H new ATOM 0 HG3 ARG B 26 -11.268 2.542 16.674 1.00 1.07 H new ATOM 0 HD2 ARG B 26 -10.538 4.247 14.878 1.00 1.25 H new ATOM 0 HD3 ARG B 26 -11.819 3.627 13.856 1.00 1.25 H new ATOM 0 HE ARG B 26 -12.885 4.147 16.540 1.00 1.86 H new ATOM 0 HH11 ARG B 26 -11.738 5.658 13.596 1.00 2.42 H new ATOM 0 HH12 ARG B 26 -12.731 7.104 13.808 1.00 2.42 H new ATOM 0 HH21 ARG B 26 -14.150 5.997 16.804 1.00 3.27 H new ATOM 0 HH22 ARG B 26 -14.082 7.294 15.606 1.00 3.27 H new ATOM 1316 N THR B 27 -7.905 -0.274 15.189 1.00 0.37 N ATOM 1317 CA THR B 27 -6.785 -1.039 14.567 1.00 0.41 C ATOM 1318 C THR B 27 -6.698 -2.452 15.153 1.00 0.39 C ATOM 1319 O THR B 27 -6.247 -3.375 14.503 1.00 0.42 O ATOM 1320 CB THR B 27 -5.526 -0.240 14.900 1.00 0.44 C ATOM 1321 OG1 THR B 27 -5.686 1.100 14.452 1.00 0.61 O ATOM 1322 CG2 THR B 27 -4.319 -0.872 14.206 1.00 0.77 C ATOM 0 H THR B 27 -7.623 0.546 15.726 1.00 0.37 H new ATOM 0 HA THR B 27 -6.923 -1.159 13.492 1.00 0.41 H new ATOM 0 HB THR B 27 -5.365 -0.247 15.978 1.00 0.44 H new ATOM 0 HG1 THR B 27 -6.055 1.646 15.178 1.00 0.61 H new ATOM 0 HG21 THR B 27 -3.422 -0.301 14.445 1.00 0.77 H new ATOM 0 HG22 THR B 27 -4.198 -1.899 14.551 1.00 0.77 H new ATOM 0 HG23 THR B 27 -4.476 -0.867 13.127 1.00 0.77 H new ATOM 1330 N LEU B 28 -7.051 -2.617 16.397 1.00 0.35 N ATOM 1331 CA LEU B 28 -6.907 -3.957 17.037 1.00 0.35 C ATOM 1332 C LEU B 28 -8.164 -4.806 16.806 1.00 0.33 C ATOM 1333 O LEU B 28 -8.207 -5.969 17.153 1.00 0.33 O ATOM 1334 CB LEU B 28 -6.716 -3.665 18.526 1.00 0.33 C ATOM 1335 CG LEU B 28 -6.243 -4.934 19.237 1.00 0.44 C ATOM 1336 CD1 LEU B 28 -4.784 -5.211 18.870 1.00 0.70 C ATOM 1337 CD2 LEU B 28 -6.358 -4.739 20.751 1.00 1.05 C ATOM 0 H LEU B 28 -7.432 -1.886 16.998 1.00 0.35 H new ATOM 0 HA LEU B 28 -6.073 -4.522 16.621 1.00 0.35 H new ATOM 0 HB2 LEU B 28 -5.986 -2.866 18.660 1.00 0.33 H new ATOM 0 HB3 LEU B 28 -7.652 -3.318 18.963 1.00 0.33 H new ATOM 0 HG LEU B 28 -6.861 -5.777 18.928 1.00 0.44 H new ATOM 0 HD11 LEU B 28 -4.447 -6.115 19.377 1.00 0.70 H new ATOM 0 HD12 LEU B 28 -4.699 -5.346 17.792 1.00 0.70 H new ATOM 0 HD13 LEU B 28 -4.165 -4.369 19.180 1.00 0.70 H new ATOM 0 HD21 LEU B 28 -6.022 -5.642 21.261 1.00 1.05 H new ATOM 0 HD22 LEU B 28 -5.738 -3.897 21.058 1.00 1.05 H new ATOM 0 HD23 LEU B 28 -7.397 -4.539 21.014 1.00 1.05 H new ATOM 1349 N GLY B 29 -9.181 -4.244 16.211 1.00 0.32 N ATOM 1350 CA GLY B 29 -10.417 -5.036 15.950 1.00 0.32 C ATOM 1351 C GLY B 29 -11.062 -5.435 17.278 1.00 0.29 C ATOM 1352 O GLY B 29 -11.453 -6.569 17.472 1.00 0.29 O ATOM 0 H GLY B 29 -9.210 -3.274 15.895 1.00 0.32 H new ATOM 0 HA2 GLY B 29 -11.118 -4.450 15.356 1.00 0.32 H new ATOM 0 HA3 GLY B 29 -10.175 -5.927 15.370 1.00 0.32 H new ATOM 1356 N ILE B 30 -11.140 -4.524 18.209 1.00 0.27 N ATOM 1357 CA ILE B 30 -11.721 -4.869 19.538 1.00 0.24 C ATOM 1358 C ILE B 30 -13.006 -4.080 19.790 1.00 0.23 C ATOM 1359 O ILE B 30 -13.103 -2.908 19.485 1.00 0.26 O ATOM 1360 CB ILE B 30 -10.650 -4.486 20.556 1.00 0.27 C ATOM 1361 CG1 ILE B 30 -9.354 -5.233 20.236 1.00 0.41 C ATOM 1362 CG2 ILE B 30 -11.123 -4.866 21.960 1.00 0.33 C ATOM 1363 CD1 ILE B 30 -9.654 -6.723 20.062 1.00 0.30 C ATOM 0 H ILE B 30 -10.828 -3.558 18.108 1.00 0.27 H new ATOM 0 HA ILE B 30 -11.986 -5.924 19.601 1.00 0.24 H new ATOM 0 HB ILE B 30 -10.472 -3.412 20.510 1.00 0.27 H new ATOM 0 HG12 ILE B 30 -8.906 -4.833 19.327 1.00 0.41 H new ATOM 0 HG13 ILE B 30 -8.630 -5.088 21.038 1.00 0.41 H new ATOM 0 HG21 ILE B 30 -10.359 -4.593 22.688 1.00 0.33 H new ATOM 0 HG22 ILE B 30 -12.048 -4.336 22.188 1.00 0.33 H new ATOM 0 HG23 ILE B 30 -11.300 -5.941 22.006 1.00 0.33 H new ATOM 0 HD11 ILE B 30 -8.731 -7.256 19.834 1.00 0.30 H new ATOM 0 HD12 ILE B 30 -10.083 -7.118 20.983 1.00 0.30 H new ATOM 0 HD13 ILE B 30 -10.362 -6.858 19.245 1.00 0.30 H new ATOM 1375 N ALA B 31 -14.007 -4.736 20.305 1.00 0.22 N ATOM 1376 CA ALA B 31 -15.314 -4.063 20.544 1.00 0.23 C ATOM 1377 C ALA B 31 -15.953 -4.603 21.827 1.00 0.20 C ATOM 1378 O ALA B 31 -15.530 -5.604 22.369 1.00 0.19 O ATOM 1379 CB ALA B 31 -16.170 -4.424 19.332 1.00 0.23 C ATOM 0 H ALA B 31 -13.975 -5.720 20.573 1.00 0.22 H new ATOM 0 HA ALA B 31 -15.210 -2.985 20.665 1.00 0.23 H new ATOM 0 HB1 ALA B 31 -17.154 -3.965 19.431 1.00 0.23 H new ATOM 0 HB2 ALA B 31 -15.689 -4.058 18.425 1.00 0.23 H new ATOM 0 HB3 ALA B 31 -16.280 -5.507 19.273 1.00 0.23 H new ATOM 1385 N GLU B 32 -16.967 -3.948 22.318 1.00 0.22 N ATOM 1386 CA GLU B 32 -17.630 -4.427 23.565 1.00 0.21 C ATOM 1387 C GLU B 32 -18.033 -5.900 23.431 1.00 0.19 C ATOM 1388 O GLU B 32 -18.441 -6.345 22.378 1.00 0.20 O ATOM 1389 CB GLU B 32 -18.870 -3.547 23.715 1.00 0.25 C ATOM 1390 CG GLU B 32 -19.583 -3.888 25.025 1.00 0.27 C ATOM 1391 CD GLU B 32 -20.889 -3.097 25.117 1.00 0.32 C ATOM 1392 OE1 GLU B 32 -21.161 -2.332 24.206 1.00 1.12 O ATOM 1393 OE2 GLU B 32 -21.595 -3.270 26.097 1.00 1.13 O ATOM 0 H GLU B 32 -17.366 -3.102 21.911 1.00 0.22 H new ATOM 0 HA GLU B 32 -16.970 -4.360 24.430 1.00 0.21 H new ATOM 0 HB2 GLU B 32 -18.585 -2.495 23.707 1.00 0.25 H new ATOM 0 HB3 GLU B 32 -19.543 -3.702 22.872 1.00 0.25 H new ATOM 0 HG2 GLU B 32 -19.789 -4.957 25.071 1.00 0.27 H new ATOM 0 HG3 GLU B 32 -18.941 -3.650 25.873 1.00 0.27 H new ATOM 1400 N LYS B 33 -17.975 -6.635 24.512 1.00 0.19 N ATOM 1401 CA LYS B 33 -18.413 -8.068 24.500 1.00 0.20 C ATOM 1402 C LYS B 33 -17.385 -8.955 23.789 1.00 0.18 C ATOM 1403 O LYS B 33 -17.477 -10.166 23.825 1.00 0.21 O ATOM 1404 CB LYS B 33 -19.749 -8.088 23.753 1.00 0.23 C ATOM 1405 CG LYS B 33 -20.483 -9.395 24.062 1.00 0.29 C ATOM 1406 CD LYS B 33 -21.791 -9.447 23.269 1.00 0.86 C ATOM 1407 CE LYS B 33 -22.594 -10.681 23.689 1.00 1.35 C ATOM 1408 NZ LYS B 33 -23.594 -10.874 22.602 1.00 1.88 N ATOM 0 H LYS B 33 -17.639 -6.301 25.415 1.00 0.19 H new ATOM 0 HA LYS B 33 -18.510 -8.459 25.513 1.00 0.20 H new ATOM 0 HB2 LYS B 33 -20.359 -7.236 24.053 1.00 0.23 H new ATOM 0 HB3 LYS B 33 -19.580 -7.998 22.680 1.00 0.23 H new ATOM 0 HG2 LYS B 33 -19.855 -10.247 23.803 1.00 0.29 H new ATOM 0 HG3 LYS B 33 -20.690 -9.464 25.130 1.00 0.29 H new ATOM 0 HD2 LYS B 33 -22.373 -8.543 23.448 1.00 0.86 H new ATOM 0 HD3 LYS B 33 -21.580 -9.484 22.200 1.00 0.86 H new ATOM 0 HE2 LYS B 33 -21.951 -11.555 23.794 1.00 1.35 H new ATOM 0 HE3 LYS B 33 -23.081 -10.527 24.652 1.00 1.35 H new ATOM 0 HZ1 LYS B 33 -24.184 -11.703 22.817 1.00 1.88 H new ATOM 0 HZ2 LYS B 33 -24.196 -10.029 22.530 1.00 1.88 H new ATOM 0 HZ3 LYS B 33 -23.100 -11.025 21.699 1.00 1.88 H new ATOM 1422 N ASP B 34 -16.356 -8.379 23.233 1.00 0.16 N ATOM 1423 CA ASP B 34 -15.278 -9.219 22.633 1.00 0.16 C ATOM 1424 C ASP B 34 -14.383 -9.787 23.736 1.00 0.19 C ATOM 1425 O ASP B 34 -14.500 -9.421 24.887 1.00 0.20 O ATOM 1426 CB ASP B 34 -14.489 -8.278 21.729 1.00 0.17 C ATOM 1427 CG ASP B 34 -15.311 -7.969 20.479 1.00 0.18 C ATOM 1428 OD1 ASP B 34 -16.352 -8.582 20.311 1.00 1.10 O ATOM 1429 OD2 ASP B 34 -14.884 -7.125 19.712 1.00 1.09 O ATOM 0 H ASP B 34 -16.214 -7.371 23.167 1.00 0.16 H new ATOM 0 HA ASP B 34 -15.677 -10.067 22.077 1.00 0.16 H new ATOM 0 HB2 ASP B 34 -14.255 -7.356 22.261 1.00 0.17 H new ATOM 0 HB3 ASP B 34 -13.540 -8.735 21.450 1.00 0.17 H new ATOM 1434 N ALA B 35 -13.532 -10.719 23.404 1.00 0.22 N ATOM 1435 CA ALA B 35 -12.680 -11.349 24.452 1.00 0.28 C ATOM 1436 C ALA B 35 -11.231 -10.865 24.336 1.00 0.20 C ATOM 1437 O ALA B 35 -10.616 -10.953 23.291 1.00 0.16 O ATOM 1438 CB ALA B 35 -12.767 -12.850 24.178 1.00 0.36 C ATOM 0 H ALA B 35 -13.390 -11.070 22.457 1.00 0.22 H new ATOM 0 HA ALA B 35 -13.013 -11.093 25.458 1.00 0.28 H new ATOM 0 HB1 ALA B 35 -12.164 -13.389 24.909 1.00 0.36 H new ATOM 0 HB2 ALA B 35 -13.805 -13.174 24.254 1.00 0.36 H new ATOM 0 HB3 ALA B 35 -12.394 -13.059 23.175 1.00 0.36 H new ATOM 1444 N LEU B 36 -10.653 -10.447 25.429 1.00 0.24 N ATOM 1445 CA LEU B 36 -9.211 -10.067 25.422 1.00 0.21 C ATOM 1446 C LEU B 36 -8.402 -11.141 26.146 1.00 0.19 C ATOM 1447 O LEU B 36 -8.794 -11.603 27.193 1.00 0.23 O ATOM 1448 CB LEU B 36 -9.138 -8.759 26.211 1.00 0.34 C ATOM 1449 CG LEU B 36 -10.207 -7.784 25.719 1.00 0.45 C ATOM 1450 CD1 LEU B 36 -10.487 -6.767 26.824 1.00 0.55 C ATOM 1451 CD2 LEU B 36 -9.702 -7.058 24.470 1.00 0.56 C ATOM 0 H LEU B 36 -11.120 -10.352 26.331 1.00 0.24 H new ATOM 0 HA LEU B 36 -8.815 -9.963 24.412 1.00 0.21 H new ATOM 0 HB2 LEU B 36 -9.279 -8.959 27.273 1.00 0.34 H new ATOM 0 HB3 LEU B 36 -8.150 -8.313 26.099 1.00 0.34 H new ATOM 0 HG LEU B 36 -11.120 -8.326 25.472 1.00 0.45 H new ATOM 0 HD11 LEU B 36 -11.249 -6.064 26.487 1.00 0.55 H new ATOM 0 HD12 LEU B 36 -10.841 -7.286 27.715 1.00 0.55 H new ATOM 0 HD13 LEU B 36 -9.571 -6.225 27.060 1.00 0.55 H new ATOM 0 HD21 LEU B 36 -10.465 -6.363 24.120 1.00 0.56 H new ATOM 0 HD22 LEU B 36 -8.793 -6.507 24.712 1.00 0.56 H new ATOM 0 HD23 LEU B 36 -9.488 -7.786 23.688 1.00 0.56 H new ATOM 1463 N GLU B 37 -7.229 -11.459 25.674 1.00 0.18 N ATOM 1464 CA GLU B 37 -6.373 -12.406 26.443 1.00 0.20 C ATOM 1465 C GLU B 37 -5.259 -11.638 27.157 1.00 0.18 C ATOM 1466 O GLU B 37 -4.743 -10.660 26.651 1.00 0.19 O ATOM 1467 CB GLU B 37 -5.803 -13.374 25.406 1.00 0.24 C ATOM 1468 CG GLU B 37 -5.041 -14.494 26.118 1.00 0.26 C ATOM 1469 CD GLU B 37 -4.423 -15.433 25.080 1.00 0.36 C ATOM 1470 OE1 GLU B 37 -4.582 -15.166 23.899 1.00 1.17 O ATOM 1471 OE2 GLU B 37 -3.801 -16.402 25.481 1.00 1.07 O ATOM 0 H GLU B 37 -6.830 -11.111 24.802 1.00 0.18 H new ATOM 0 HA GLU B 37 -6.930 -12.940 27.213 1.00 0.20 H new ATOM 0 HB2 GLU B 37 -6.608 -13.794 24.803 1.00 0.24 H new ATOM 0 HB3 GLU B 37 -5.138 -12.843 24.724 1.00 0.24 H new ATOM 0 HG2 GLU B 37 -4.261 -14.072 26.751 1.00 0.26 H new ATOM 0 HG3 GLU B 37 -5.715 -15.049 26.770 1.00 0.26 H new ATOM 1478 N ILE B 38 -4.994 -11.987 28.385 1.00 0.20 N ATOM 1479 CA ILE B 38 -4.043 -11.187 29.205 1.00 0.20 C ATOM 1480 C ILE B 38 -2.739 -11.955 29.413 1.00 0.19 C ATOM 1481 O ILE B 38 -2.737 -13.130 29.741 1.00 0.23 O ATOM 1482 CB ILE B 38 -4.757 -10.973 30.540 1.00 0.25 C ATOM 1483 CG1 ILE B 38 -6.103 -10.288 30.293 1.00 0.80 C ATOM 1484 CG2 ILE B 38 -3.895 -10.091 31.444 1.00 0.73 C ATOM 1485 CD1 ILE B 38 -6.874 -10.188 31.610 1.00 0.84 C ATOM 0 H ILE B 38 -5.397 -12.796 28.858 1.00 0.20 H new ATOM 0 HA ILE B 38 -3.779 -10.245 28.725 1.00 0.20 H new ATOM 0 HB ILE B 38 -4.922 -11.936 31.023 1.00 0.25 H new ATOM 0 HG12 ILE B 38 -5.946 -9.294 29.875 1.00 0.80 H new ATOM 0 HG13 ILE B 38 -6.682 -10.853 29.562 1.00 0.80 H new ATOM 0 HG21 ILE B 38 -4.404 -9.938 32.396 1.00 0.73 H new ATOM 0 HG22 ILE B 38 -2.936 -10.578 31.619 1.00 0.73 H new ATOM 0 HG23 ILE B 38 -3.730 -9.127 30.962 1.00 0.73 H new ATOM 0 HD11 ILE B 38 -7.833 -9.700 31.434 1.00 0.84 H new ATOM 0 HD12 ILE B 38 -7.044 -11.188 32.009 1.00 0.84 H new ATOM 0 HD13 ILE B 38 -6.296 -9.605 32.327 1.00 0.84 H new ATOM 1497 N TYR B 39 -1.638 -11.289 29.200 1.00 0.18 N ATOM 1498 CA TYR B 39 -0.304 -11.935 29.345 1.00 0.20 C ATOM 1499 C TYR B 39 0.524 -11.191 30.400 1.00 0.20 C ATOM 1500 O TYR B 39 0.357 -10.005 30.598 1.00 0.19 O ATOM 1501 CB TYR B 39 0.346 -11.770 27.973 1.00 0.23 C ATOM 1502 CG TYR B 39 -0.199 -12.780 27.003 1.00 0.28 C ATOM 1503 CD1 TYR B 39 -1.527 -12.696 26.568 1.00 0.31 C ATOM 1504 CD2 TYR B 39 0.634 -13.792 26.524 1.00 0.31 C ATOM 1505 CE1 TYR B 39 -2.020 -13.632 25.651 1.00 0.37 C ATOM 1506 CE2 TYR B 39 0.143 -14.728 25.611 1.00 0.36 C ATOM 1507 CZ TYR B 39 -1.184 -14.649 25.173 1.00 0.39 C ATOM 1508 OH TYR B 39 -1.667 -15.576 24.272 1.00 0.45 O ATOM 0 H TYR B 39 -1.607 -10.307 28.927 1.00 0.18 H new ATOM 0 HA TYR B 39 -0.375 -12.977 29.657 1.00 0.20 H new ATOM 0 HB2 TYR B 39 0.164 -10.763 27.598 1.00 0.23 H new ATOM 0 HB3 TYR B 39 1.426 -11.888 28.060 1.00 0.23 H new ATOM 0 HD1 TYR B 39 -2.170 -11.911 26.939 1.00 0.31 H new ATOM 0 HD2 TYR B 39 1.659 -13.851 26.859 1.00 0.31 H new ATOM 0 HE1 TYR B 39 -3.044 -13.570 25.313 1.00 0.37 H new ATOM 0 HE2 TYR B 39 0.787 -15.513 25.243 1.00 0.36 H new ATOM 0 HH TYR B 39 -2.231 -16.225 24.742 1.00 0.45 H new ATOM 1518 N VAL B 40 1.495 -11.837 30.985 1.00 0.21 N ATOM 1519 CA VAL B 40 2.412 -11.106 31.908 1.00 0.21 C ATOM 1520 C VAL B 40 3.875 -11.416 31.570 1.00 0.21 C ATOM 1521 O VAL B 40 4.281 -12.560 31.527 1.00 0.23 O ATOM 1522 CB VAL B 40 2.063 -11.615 33.304 1.00 0.24 C ATOM 1523 CG1 VAL B 40 3.049 -11.035 34.319 1.00 0.26 C ATOM 1524 CG2 VAL B 40 0.643 -11.170 33.664 1.00 0.26 C ATOM 0 H VAL B 40 1.693 -12.831 30.866 1.00 0.21 H new ATOM 0 HA VAL B 40 2.295 -10.025 31.828 1.00 0.21 H new ATOM 0 HB VAL B 40 2.122 -12.703 33.321 1.00 0.24 H new ATOM 0 HG11 VAL B 40 2.800 -11.398 35.316 1.00 0.26 H new ATOM 0 HG12 VAL B 40 4.061 -11.346 34.062 1.00 0.26 H new ATOM 0 HG13 VAL B 40 2.989 -9.947 34.304 1.00 0.26 H new ATOM 0 HG21 VAL B 40 0.390 -11.532 34.661 1.00 0.26 H new ATOM 0 HG22 VAL B 40 0.588 -10.082 33.648 1.00 0.26 H new ATOM 0 HG23 VAL B 40 -0.061 -11.580 32.940 1.00 0.26 H new ATOM 1534 N ASP B 41 4.673 -10.403 31.356 1.00 0.21 N ATOM 1535 CA ASP B 41 6.112 -10.643 31.045 1.00 0.21 C ATOM 1536 C ASP B 41 6.981 -9.502 31.591 1.00 0.24 C ATOM 1537 O ASP B 41 6.669 -8.341 31.431 1.00 0.26 O ATOM 1538 CB ASP B 41 6.185 -10.688 29.518 1.00 0.19 C ATOM 1539 CG ASP B 41 5.792 -9.325 28.943 1.00 1.00 C ATOM 1540 OD1 ASP B 41 5.183 -8.553 29.665 1.00 1.68 O ATOM 1541 OD2 ASP B 41 6.102 -9.077 27.790 1.00 1.77 O ATOM 0 H ASP B 41 4.391 -9.423 31.383 1.00 0.21 H new ATOM 0 HA ASP B 41 6.480 -11.562 31.501 1.00 0.21 H new ATOM 0 HB2 ASP B 41 7.194 -10.951 29.200 1.00 0.19 H new ATOM 0 HB3 ASP B 41 5.519 -11.461 29.135 1.00 0.19 H new ATOM 1546 N ASP B 42 8.131 -9.824 32.117 1.00 0.27 N ATOM 1547 CA ASP B 42 9.093 -8.758 32.533 1.00 0.32 C ATOM 1548 C ASP B 42 8.377 -7.616 33.268 1.00 0.32 C ATOM 1549 O ASP B 42 8.655 -6.456 33.041 1.00 0.37 O ATOM 1550 CB ASP B 42 9.699 -8.254 31.224 1.00 0.37 C ATOM 1551 CG ASP B 42 10.675 -7.113 31.517 1.00 0.45 C ATOM 1552 OD1 ASP B 42 10.929 -6.861 32.684 1.00 1.21 O ATOM 1553 OD2 ASP B 42 11.150 -6.509 30.570 1.00 1.14 O ATOM 0 H ASP B 42 8.448 -10.780 32.278 1.00 0.27 H new ATOM 0 HA ASP B 42 9.845 -9.138 33.225 1.00 0.32 H new ATOM 0 HB2 ASP B 42 10.216 -9.067 30.714 1.00 0.37 H new ATOM 0 HB3 ASP B 42 8.910 -7.909 30.555 1.00 0.37 H new ATOM 1558 N GLU B 43 7.524 -7.934 34.207 1.00 0.29 N ATOM 1559 CA GLU B 43 6.871 -6.865 35.026 1.00 0.30 C ATOM 1560 C GLU B 43 6.043 -5.931 34.137 1.00 0.29 C ATOM 1561 O GLU B 43 5.518 -4.934 34.590 1.00 0.30 O ATOM 1562 CB GLU B 43 8.025 -6.101 35.679 1.00 0.34 C ATOM 1563 CG GLU B 43 7.468 -5.109 36.702 1.00 1.17 C ATOM 1564 CD GLU B 43 8.613 -4.278 37.283 1.00 1.34 C ATOM 1565 OE1 GLU B 43 9.741 -4.488 36.867 1.00 1.68 O ATOM 1566 OE2 GLU B 43 8.344 -3.449 38.136 1.00 1.92 O ATOM 0 H GLU B 43 7.250 -8.888 34.443 1.00 0.29 H new ATOM 0 HA GLU B 43 6.186 -7.281 35.765 1.00 0.30 H new ATOM 0 HB2 GLU B 43 8.706 -6.798 36.167 1.00 0.34 H new ATOM 0 HB3 GLU B 43 8.600 -5.572 34.919 1.00 0.34 H new ATOM 0 HG2 GLU B 43 6.734 -4.456 36.229 1.00 1.17 H new ATOM 0 HG3 GLU B 43 6.952 -5.644 37.499 1.00 1.17 H new ATOM 1573 N LYS B 44 5.842 -6.299 32.903 1.00 0.29 N ATOM 1574 CA LYS B 44 4.954 -5.490 32.020 1.00 0.30 C ATOM 1575 C LYS B 44 3.679 -6.272 31.707 1.00 0.27 C ATOM 1576 O LYS B 44 3.684 -7.485 31.641 1.00 0.26 O ATOM 1577 CB LYS B 44 5.757 -5.256 30.741 1.00 0.34 C ATOM 1578 CG LYS B 44 6.911 -4.293 31.021 1.00 1.29 C ATOM 1579 CD LYS B 44 7.614 -3.951 29.707 1.00 1.23 C ATOM 1580 CE LYS B 44 8.752 -2.965 29.971 1.00 1.90 C ATOM 1581 NZ LYS B 44 9.992 -3.788 29.928 1.00 2.00 N ATOM 0 H LYS B 44 6.253 -7.124 32.467 1.00 0.29 H new ATOM 0 HA LYS B 44 4.656 -4.552 32.488 1.00 0.30 H new ATOM 0 HB2 LYS B 44 6.145 -6.203 30.366 1.00 0.34 H new ATOM 0 HB3 LYS B 44 5.110 -4.847 29.965 1.00 0.34 H new ATOM 0 HG2 LYS B 44 6.536 -3.385 31.493 1.00 1.29 H new ATOM 0 HG3 LYS B 44 7.617 -4.746 31.717 1.00 1.29 H new ATOM 0 HD2 LYS B 44 8.006 -4.858 29.247 1.00 1.23 H new ATOM 0 HD3 LYS B 44 6.902 -3.519 29.004 1.00 1.23 H new ATOM 0 HE2 LYS B 44 8.775 -2.177 29.218 1.00 1.90 H new ATOM 0 HE3 LYS B 44 8.635 -2.477 30.939 1.00 1.90 H new ATOM 0 HZ1 LYS B 44 10.730 -3.335 30.504 1.00 2.00 H new ATOM 0 HZ2 LYS B 44 9.792 -4.737 30.305 1.00 2.00 H new ATOM 0 HZ3 LYS B 44 10.322 -3.868 28.945 1.00 2.00 H new ATOM 1595 N ILE B 45 2.598 -5.587 31.468 1.00 0.28 N ATOM 1596 CA ILE B 45 1.339 -6.293 31.107 1.00 0.26 C ATOM 1597 C ILE B 45 1.219 -6.397 29.586 1.00 0.26 C ATOM 1598 O ILE B 45 1.314 -5.412 28.879 1.00 0.29 O ATOM 1599 CB ILE B 45 0.223 -5.418 31.675 1.00 0.29 C ATOM 1600 CG1 ILE B 45 0.446 -5.223 33.176 1.00 0.33 C ATOM 1601 CG2 ILE B 45 -1.128 -6.098 31.443 1.00 0.28 C ATOM 1602 CD1 ILE B 45 -0.489 -4.128 33.692 1.00 1.24 C ATOM 0 H ILE B 45 2.531 -4.570 31.507 1.00 0.28 H new ATOM 0 HA ILE B 45 1.300 -7.308 31.501 1.00 0.26 H new ATOM 0 HB ILE B 45 0.230 -4.449 31.176 1.00 0.29 H new ATOM 0 HG12 ILE B 45 0.258 -6.156 33.707 1.00 0.33 H new ATOM 0 HG13 ILE B 45 1.484 -4.950 33.368 1.00 0.33 H new ATOM 0 HG21 ILE B 45 -1.924 -5.473 31.848 1.00 0.28 H new ATOM 0 HG22 ILE B 45 -1.286 -6.238 30.374 1.00 0.28 H new ATOM 0 HG23 ILE B 45 -1.138 -7.067 31.941 1.00 0.28 H new ATOM 0 HD11 ILE B 45 -0.331 -3.989 34.761 1.00 1.24 H new ATOM 0 HD12 ILE B 45 -0.280 -3.195 33.169 1.00 1.24 H new ATOM 0 HD13 ILE B 45 -1.524 -4.419 33.513 1.00 1.24 H new ATOM 1614 N ILE B 46 0.991 -7.580 29.084 1.00 0.26 N ATOM 1615 CA ILE B 46 0.837 -7.758 27.611 1.00 0.29 C ATOM 1616 C ILE B 46 -0.611 -8.133 27.280 1.00 0.28 C ATOM 1617 O ILE B 46 -1.115 -9.146 27.717 1.00 0.31 O ATOM 1618 CB ILE B 46 1.792 -8.904 27.256 1.00 0.32 C ATOM 1619 CG1 ILE B 46 3.227 -8.486 27.574 1.00 0.44 C ATOM 1620 CG2 ILE B 46 1.672 -9.245 25.768 1.00 0.37 C ATOM 1621 CD1 ILE B 46 3.497 -7.105 26.981 1.00 0.50 C ATOM 0 H ILE B 46 0.904 -8.435 29.633 1.00 0.26 H new ATOM 0 HA ILE B 46 1.065 -6.851 27.050 1.00 0.29 H new ATOM 0 HB ILE B 46 1.530 -9.784 27.843 1.00 0.32 H new ATOM 0 HG12 ILE B 46 3.381 -8.467 28.653 1.00 0.44 H new ATOM 0 HG13 ILE B 46 3.928 -9.213 27.165 1.00 0.44 H new ATOM 0 HG21 ILE B 46 2.354 -10.060 25.525 1.00 0.37 H new ATOM 0 HG22 ILE B 46 0.649 -9.549 25.546 1.00 0.37 H new ATOM 0 HG23 ILE B 46 1.927 -8.369 25.172 1.00 0.37 H new ATOM 0 HD11 ILE B 46 4.520 -6.806 27.207 1.00 0.50 H new ATOM 0 HD12 ILE B 46 3.360 -7.140 25.900 1.00 0.50 H new ATOM 0 HD13 ILE B 46 2.804 -6.382 27.412 1.00 0.50 H new ATOM 1633 N LEU B 47 -1.290 -7.320 26.521 1.00 0.28 N ATOM 1634 CA LEU B 47 -2.707 -7.641 26.179 1.00 0.29 C ATOM 1635 C LEU B 47 -2.862 -7.791 24.665 1.00 0.31 C ATOM 1636 O LEU B 47 -2.375 -6.982 23.901 1.00 0.38 O ATOM 1637 CB LEU B 47 -3.522 -6.449 26.681 1.00 0.34 C ATOM 1638 CG LEU B 47 -3.237 -6.224 28.166 1.00 0.90 C ATOM 1639 CD1 LEU B 47 -1.925 -5.453 28.323 1.00 1.66 C ATOM 1640 CD2 LEU B 47 -4.379 -5.415 28.785 1.00 1.23 C ATOM 0 H LEU B 47 -0.930 -6.452 26.124 1.00 0.28 H new ATOM 0 HA LEU B 47 -3.036 -8.577 26.630 1.00 0.29 H new ATOM 0 HB2 LEU B 47 -3.267 -5.555 26.112 1.00 0.34 H new ATOM 0 HB3 LEU B 47 -4.586 -6.632 26.528 1.00 0.34 H new ATOM 0 HG LEU B 47 -3.155 -7.187 28.671 1.00 0.90 H new ATOM 0 HD11 LEU B 47 -1.722 -5.293 29.382 1.00 1.66 H new ATOM 0 HD12 LEU B 47 -1.111 -6.026 27.880 1.00 1.66 H new ATOM 0 HD13 LEU B 47 -2.006 -4.490 27.819 1.00 1.66 H new ATOM 0 HD21 LEU B 47 -4.178 -5.253 29.844 1.00 1.23 H new ATOM 0 HD22 LEU B 47 -4.459 -4.453 28.280 1.00 1.23 H new ATOM 0 HD23 LEU B 47 -5.315 -5.962 28.673 1.00 1.23 H new ATOM 1652 N LYS B 48 -3.537 -8.815 24.224 1.00 0.28 N ATOM 1653 CA LYS B 48 -3.721 -9.005 22.758 1.00 0.34 C ATOM 1654 C LYS B 48 -5.114 -9.566 22.462 1.00 0.27 C ATOM 1655 O LYS B 48 -5.770 -10.110 23.326 1.00 0.24 O ATOM 1656 CB LYS B 48 -2.638 -10.003 22.343 1.00 0.47 C ATOM 1657 CG LYS B 48 -2.927 -11.374 22.957 1.00 0.65 C ATOM 1658 CD LYS B 48 -1.821 -12.350 22.552 1.00 0.85 C ATOM 1659 CE LYS B 48 -2.363 -13.780 22.583 1.00 1.54 C ATOM 1660 NZ LYS B 48 -3.286 -13.866 21.417 1.00 1.74 N ATOM 0 H LYS B 48 -3.968 -9.527 24.813 1.00 0.28 H new ATOM 0 HA LYS B 48 -3.638 -8.066 22.211 1.00 0.34 H new ATOM 0 HB2 LYS B 48 -2.602 -10.082 21.256 1.00 0.47 H new ATOM 0 HB3 LYS B 48 -1.660 -9.648 22.669 1.00 0.47 H new ATOM 0 HG2 LYS B 48 -2.980 -11.296 24.043 1.00 0.65 H new ATOM 0 HG3 LYS B 48 -3.895 -11.741 22.617 1.00 0.65 H new ATOM 0 HD2 LYS B 48 -1.458 -12.110 21.553 1.00 0.85 H new ATOM 0 HD3 LYS B 48 -0.973 -12.257 23.231 1.00 0.85 H new ATOM 0 HE2 LYS B 48 -1.557 -14.510 22.503 1.00 1.54 H new ATOM 0 HE3 LYS B 48 -2.887 -13.984 23.517 1.00 1.54 H new ATOM 0 HZ1 LYS B 48 -3.326 -14.848 21.078 1.00 1.74 H new ATOM 0 HZ2 LYS B 48 -4.237 -13.559 21.704 1.00 1.74 H new ATOM 0 HZ3 LYS B 48 -2.939 -13.250 20.654 1.00 1.74 H new ATOM 1674 N LYS B 49 -5.551 -9.477 21.235 1.00 0.28 N ATOM 1675 CA LYS B 49 -6.880 -10.050 20.880 1.00 0.25 C ATOM 1676 C LYS B 49 -6.908 -11.541 21.208 1.00 0.22 C ATOM 1677 O LYS B 49 -5.894 -12.210 21.190 1.00 0.24 O ATOM 1678 CB LYS B 49 -7.024 -9.830 19.375 1.00 0.28 C ATOM 1679 CG LYS B 49 -8.411 -10.291 18.923 1.00 0.30 C ATOM 1680 CD LYS B 49 -8.536 -10.128 17.408 1.00 0.54 C ATOM 1681 CE LYS B 49 -9.971 -10.435 16.976 1.00 1.08 C ATOM 1682 NZ LYS B 49 -9.936 -11.846 16.501 1.00 1.65 N ATOM 0 H LYS B 49 -5.047 -9.034 20.466 1.00 0.28 H new ATOM 0 HA LYS B 49 -7.693 -9.583 21.435 1.00 0.25 H new ATOM 0 HB2 LYS B 49 -6.883 -8.776 19.136 1.00 0.28 H new ATOM 0 HB3 LYS B 49 -6.253 -10.384 18.840 1.00 0.28 H new ATOM 0 HG2 LYS B 49 -8.568 -11.333 19.201 1.00 0.30 H new ATOM 0 HG3 LYS B 49 -9.182 -9.707 19.427 1.00 0.30 H new ATOM 0 HD2 LYS B 49 -8.268 -9.112 17.118 1.00 0.54 H new ATOM 0 HD3 LYS B 49 -7.842 -10.798 16.901 1.00 0.54 H new ATOM 0 HE2 LYS B 49 -10.667 -10.315 17.806 1.00 1.08 H new ATOM 0 HE3 LYS B 49 -10.298 -9.760 16.185 1.00 1.08 H new ATOM 0 HZ1 LYS B 49 -10.886 -12.130 16.187 1.00 1.65 H new ATOM 0 HZ2 LYS B 49 -9.270 -11.928 15.707 1.00 1.65 H new ATOM 0 HZ3 LYS B 49 -9.628 -12.466 17.277 1.00 1.65 H new ATOM 1696 N TYR B 50 -8.046 -12.050 21.586 1.00 0.20 N ATOM 1697 CA TYR B 50 -8.116 -13.477 22.006 1.00 0.22 C ATOM 1698 C TYR B 50 -8.702 -14.340 20.886 1.00 0.25 C ATOM 1699 O TYR B 50 -9.867 -14.241 20.558 1.00 0.20 O ATOM 1700 CB TYR B 50 -9.043 -13.477 23.222 1.00 0.22 C ATOM 1701 CG TYR B 50 -9.222 -14.892 23.715 1.00 0.30 C ATOM 1702 CD1 TYR B 50 -8.120 -15.748 23.802 1.00 0.38 C ATOM 1703 CD2 TYR B 50 -10.494 -15.346 24.085 1.00 0.41 C ATOM 1704 CE1 TYR B 50 -8.289 -17.060 24.260 1.00 0.48 C ATOM 1705 CE2 TYR B 50 -10.663 -16.657 24.541 1.00 0.52 C ATOM 1706 CZ TYR B 50 -9.560 -17.515 24.629 1.00 0.53 C ATOM 1707 OH TYR B 50 -9.726 -18.809 25.079 1.00 0.65 O ATOM 0 H TYR B 50 -8.929 -11.541 21.622 1.00 0.20 H new ATOM 0 HA TYR B 50 -7.133 -13.889 22.234 1.00 0.22 H new ATOM 0 HB2 TYR B 50 -8.624 -12.855 24.013 1.00 0.22 H new ATOM 0 HB3 TYR B 50 -10.009 -13.047 22.957 1.00 0.22 H new ATOM 0 HD1 TYR B 50 -7.139 -15.397 23.516 1.00 0.38 H new ATOM 0 HD2 TYR B 50 -11.344 -14.684 24.018 1.00 0.41 H new ATOM 0 HE1 TYR B 50 -7.438 -17.721 24.329 1.00 0.48 H new ATOM 0 HE2 TYR B 50 -11.644 -17.008 24.825 1.00 0.52 H new ATOM 0 HH TYR B 50 -10.670 -18.962 25.294 1.00 0.65 H new